NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
565091 | 2lxo | 18684 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 1.884 0.000 0.829 2 HA2 GLY 1 1HA GLY 1 2.487 0.992 -1.425 3 HA3 GLY 1 2HA GLY 1 2.916 -0.687 -1.168 4 H ILE 2 HN ILE 2 2.815 -0.559 -3.665 5 HA ILE 2 HA ILE 2 0.041 -1.002 -4.524 6 HB ILE 2 HB ILE 2 2.346 -0.213 -6.293 7 HG12 ILE 2 2HG1 ILE 2 0.355 1.637 -4.946 8 HG13 ILE 2 3HG1 ILE 2 2.054 1.501 -4.536 9 HG21 ILE 2 1HG2 ILE 2 0.645 0.384 -7.876 10 HG22 ILE 2 2HG2 ILE 2 0.339 -1.279 -7.317 11 HG23 ILE 2 3HG2 ILE 2 -0.643 0.066 -6.689 12 HD11 ILE 2 3HD1 ILE 2 2.502 2.005 -7.065 13 HD12 ILE 2 1HD1 ILE 2 0.812 2.563 -7.092 14 HD13 ILE 2 2HD1 ILE 2 1.992 3.349 -6.016 15 H ILE 3 HN ILE 3 -0.473 -3.084 -4.898 16 HA ILE 3 HA ILE 3 1.594 -5.051 -4.941 17 HB ILE 3 HB ILE 3 -0.283 -6.622 -5.177 18 HG12 ILE 3 2HG1 ILE 3 -2.274 -4.415 -4.877 19 HG13 ILE 3 3HG1 ILE 3 -1.635 -4.720 -6.480 20 HG21 ILE 3 1HG2 ILE 3 0.480 -5.839 -2.970 21 HG22 ILE 3 2HG2 ILE 3 -0.719 -4.525 -3.033 22 HG23 ILE 3 3HG2 ILE 3 -1.259 -6.220 -2.992 23 HD11 ILE 3 3HD1 ILE 3 -2.210 -7.184 -6.159 24 HD12 ILE 3 1HD1 ILE 3 -3.044 -6.716 -4.658 25 HD13 ILE 3 2HD1 ILE 3 -3.613 -6.091 -6.224 26 H ASN 4 HN ASN 4 1.165 -6.905 -6.768 27 HA ASN 4 HA ASN 4 0.511 -5.890 -9.300 28 HB2 ASN 4 2HB ASN 4 3.437 -6.052 -8.493 29 HB3 ASN 4 3HB ASN 4 2.992 -6.395 -10.153 30 HD21 ASN 4 1HD2 ASN 4 4.251 -4.106 -8.390 31 HD22 ASN 4 2HD2 ASN 4 3.605 -2.659 -9.090 32 H THR 5 HN THR 5 -0.746 -7.935 -8.984 33 HA THR 5 HA THR 5 0.922 -10.351 -9.226 34 HB THR 5 HB THR 5 -1.150 -11.481 -8.283 35 HG1 THR 5 HG1 THR 5 -2.817 -9.992 -7.608 36 HG21 THR 5 3HG2 THR 5 -1.063 -9.677 -6.121 37 HG22 THR 5 1HG2 THR 5 -0.041 -11.122 -6.308 38 HG23 THR 5 2HG2 THR 5 0.551 -9.536 -6.856 39 H LEU 6 HN LEU 6 0.903 -9.103 -11.546 40 HA LEU 6 HA LEU 6 -1.173 -9.128 -13.229 41 HB2 LEU 6 2HB LEU 6 0.348 -9.273 -14.988 42 HB3 LEU 6 3HB LEU 6 1.221 -8.517 -13.670 43 HG LEU 6 HG LEU 6 2.195 -10.814 -13.152 44 HD11 LEU 6 1HD1 LEU 6 1.415 -12.589 -14.225 45 HD12 LEU 6 2HD1 LEU 6 0.383 -11.560 -15.248 46 HD13 LEU 6 3HD1 LEU 6 2.052 -11.925 -15.749 47 HD21 LEU 6 3HD2 LEU 6 3.816 -10.669 -15.110 48 HD22 LEU 6 1HD2 LEU 6 2.824 -9.312 -15.695 49 HD23 LEU 6 2HD2 LEU 6 3.627 -9.208 -14.110 50 H GLN 7 HN GLN 7 -2.571 -10.555 -14.168 51 HA GLN 7 HA GLN 7 -1.959 -13.370 -13.700 52 HB2 GLN 7 2HB GLN 7 -4.043 -11.988 -12.551 53 HB3 GLN 7 3HB GLN 7 -4.822 -12.603 -13.995 54 HG2 GLN 7 2HG GLN 7 -5.129 -14.508 -12.769 55 HG3 GLN 7 3HG GLN 7 -3.460 -14.850 -13.179 56 HE21 GLN 7 1HE2 GLN 7 -5.625 -13.493 -10.773 57 HE22 GLN 7 2HE2 GLN 7 -4.581 -13.638 -9.398 58 H LYS 8 HN LYS 8 -4.096 -11.189 -15.690 59 HA LYS 8 HA LYS 8 -3.014 -11.902 -18.123 60 HB2 LYS 8 2HB LYS 8 -4.963 -13.388 -18.932 61 HB3 LYS 8 3HB LYS 8 -3.664 -14.127 -18.018 62 HG2 LYS 8 2HG LYS 8 -5.497 -13.233 -16.052 63 HG3 LYS 8 3HG LYS 8 -6.505 -13.882 -17.330 64 HD2 LYS 8 2HD LYS 8 -5.685 -16.049 -17.082 65 HD3 LYS 8 3HD LYS 8 -4.101 -15.512 -16.559 66 HE2 LYS 8 2HE LYS 8 -4.707 -15.818 -14.396 67 HE3 LYS 8 3HE LYS 8 -5.962 -14.608 -14.573 68 HZ1 LYS 8 3HZ LYS 8 -7.006 -16.590 -13.969 69 HZ2 LYS 8 1HZ LYS 8 -7.331 -16.424 -15.560 70 HZ3 LYS 8 2HZ LYS 8 -6.195 -17.488 -15.066 71 H TYR 9 HN TYR 9 -6.525 -11.933 -17.270 72 HA TYR 9 HA TYR 9 -7.414 -10.178 -19.075 73 HB2 TYR 9 2HB TYR 9 -9.240 -9.845 -17.455 74 HB3 TYR 9 3HB TYR 9 -8.618 -11.459 -17.174 75 HD1 TYR 9 HD1 TYR 9 -6.313 -11.184 -15.508 76 HD2 TYR 9 HD2 TYR 9 -9.900 -8.853 -15.470 77 HE1 TYR 9 HE1 TYR 9 -5.917 -10.601 -13.065 78 HE2 TYR 9 HE2 TYR 9 -9.492 -8.278 -13.028 79 HH TYR 9 HH TYR 9 -7.494 -9.940 -11.096 80 H TYR 10 HN TYR 10 -5.393 -9.414 -16.269 81 HA TYR 10 HA TYR 10 -5.281 -6.656 -17.215 82 HB2 TYR 10 2HB TYR 10 -6.003 -5.829 -15.114 83 HB3 TYR 10 3HB TYR 10 -6.914 -7.326 -15.136 84 HD1 TYR 10 HD1 TYR 10 -4.517 -9.201 -14.633 85 HD2 TYR 10 HD2 TYR 10 -5.799 -5.580 -12.749 86 HE1 TYR 10 HE1 TYR 10 -3.386 -9.916 -12.472 87 HE2 TYR 10 HE2 TYR 10 -4.663 -6.308 -10.594 88 HH TYR 10 HH TYR 10 -2.564 -7.965 -10.138 89 H CYS 11 HN CYS 11 -3.637 -9.374 -16.902 90 HA CYS 11 HA CYS 11 -1.638 -9.200 -15.150 91 HB2 CYS 11 2HB CYS 11 -1.290 -11.011 -16.415 92 HB3 CYS 11 3HB CYS 11 -1.920 -10.258 -17.867 93 H ARG 12 HN ARG 12 -0.382 -7.480 -14.520 94 HA ARG 12 HA ARG 12 1.095 -5.881 -14.693 95 HB2 ARG 12 2HB ARG 12 1.694 -6.955 -17.002 96 HB3 ARG 12 3HB ARG 12 0.715 -5.686 -17.712 97 HG2 ARG 12 2HG ARG 12 2.390 -4.176 -17.474 98 HG3 ARG 12 3HG ARG 12 2.503 -4.501 -15.755 99 HD2 ARG 12 2HD ARG 12 4.551 -5.399 -16.201 100 HD3 ARG 12 3HD ARG 12 3.689 -6.774 -16.862 101 HE ARG 12 HE ARG 12 3.815 -4.784 -18.897 102 HH11 ARG 12 2HH2 ARG 12 5.984 -6.905 -17.114 103 HH12 ARG 12 1HH2 ARG 12 7.149 -6.999 -18.393 104 HH21 ARG 12 2HH1 ARG 12 5.352 -4.908 -20.584 105 HH22 ARG 12 1HH1 ARG 12 6.787 -5.855 -20.380 106 H VAL 13 HN VAL 13 0.882 -3.581 -14.499 107 HA VAL 13 HA VAL 13 -1.453 -2.391 -15.787 108 HB VAL 13 HB VAL 13 -1.741 -1.229 -13.448 109 HG11 VAL 13 1HG1 VAL 13 -2.848 -3.720 -14.601 110 HG12 VAL 13 2HG1 VAL 13 -3.156 -3.483 -12.864 111 HG13 VAL 13 3HG1 VAL 13 -3.672 -2.247 -14.037 112 HG21 VAL 13 3HG2 VAL 13 -1.273 -2.633 -11.549 113 HG22 VAL 13 1HG2 VAL 13 -0.671 -3.939 -12.597 114 HG23 VAL 13 2HG2 VAL 13 0.238 -2.414 -12.464 115 H ARG 14 HN ARG 14 0.050 -1.340 -17.197 116 HA ARG 14 HA ARG 14 1.182 0.967 -15.948 117 HB2 ARG 14 2HB ARG 14 2.883 -1.191 -16.299 118 HB3 ARG 14 3HB ARG 14 3.110 -0.344 -17.816 119 HG2 ARG 14 2HG ARG 14 4.394 1.225 -16.802 120 HG3 ARG 14 3HG ARG 14 3.100 1.614 -15.686 121 HD2 ARG 14 2HD ARG 14 3.863 0.081 -14.048 122 HD3 ARG 14 3HD ARG 14 4.736 -0.893 -15.215 123 HE ARG 14 HE ARG 14 6.578 0.550 -15.026 124 HH11 ARG 14 2HH2 ARG 14 3.744 2.075 -13.604 125 HH12 ARG 14 1HH2 ARG 14 4.637 3.394 -12.923 126 HH21 ARG 14 2HH1 ARG 14 7.757 2.290 -14.128 127 HH22 ARG 14 1HH1 ARG 14 6.935 3.517 -13.223 128 H GLY 15 HN GLY 15 2.863 1.550 -18.373 129 HA2 GLY 15 1HA GLY 15 1.231 3.030 -19.915 130 HA3 GLY 15 2HA GLY 15 2.683 2.255 -20.517 131 H ALA 16 HN ALA 16 1.530 -0.518 -19.942 132 HA ALA 16 HA ALA 16 -0.845 -0.814 -21.406 133 HB1 ALA 16 1HB ALA 16 0.624 -2.096 -23.304 134 HB2 ALA 16 2HB ALA 16 0.045 -0.421 -23.472 135 HB3 ALA 16 3HB ALA 16 1.711 -0.737 -22.931 136 H ILE 17 HN ILE 17 -1.678 -2.622 -20.499 137 HA ILE 17 HA ILE 17 -0.059 -4.334 -18.956 138 HB ILE 17 HB ILE 17 -2.008 -5.315 -18.295 139 HG12 ILE 17 2HG1 ILE 17 -2.902 -4.965 -21.136 140 HG13 ILE 17 3HG1 ILE 17 -2.840 -6.416 -20.155 141 HG21 ILE 17 1HG2 ILE 17 -3.511 -3.612 -17.820 142 HG22 ILE 17 2HG2 ILE 17 -2.004 -2.728 -18.161 143 HG23 ILE 17 3HG2 ILE 17 -3.280 -2.823 -19.398 144 HD11 ILE 17 3HD1 ILE 17 -5.171 -5.782 -20.389 145 HD12 ILE 17 1HD1 ILE 17 -4.691 -5.439 -18.709 146 HD13 ILE 17 2HD1 ILE 17 -4.820 -4.111 -19.888 147 H CYS 18 HN CYS 18 -1.209 -4.347 -22.324 148 HA CYS 18 HA CYS 18 0.384 -6.770 -22.702 149 HB2 CYS 18 2HB CYS 18 -2.282 -6.216 -24.021 150 HB3 CYS 18 3HB CYS 18 -1.229 -7.576 -24.358 151 H HIS 19 HN HIS 19 1.061 -6.958 -25.100 152 HA HIS 19 HA HIS 19 2.428 -4.768 -25.899 153 HB2 HIS 19 2HB HIS 19 2.802 -7.025 -26.747 154 HB3 HIS 19 3HB HIS 19 1.278 -6.988 -27.611 155 HD1 HIS 19 HD1 HIS 19 1.365 -4.331 -29.080 156 HD2 HIS 19 HD2 HIS 19 4.713 -6.826 -28.683 157 HE1 HIS 19 HE1 HIS 19 2.949 -3.710 -30.982 158 HE2 HIS 19 HE2 HIS 19 5.011 -5.239 -30.653 159 HA PRO 20 HA PRO 20 -0.572 -2.061 -27.472 160 HB2 PRO 20 2HB PRO 20 1.067 -0.236 -28.678 161 HB3 PRO 20 3HB PRO 20 0.723 -0.227 -26.960 162 HG2 PRO 20 2HG PRO 20 3.180 -1.099 -28.354 163 HG3 PRO 20 3HG PRO 20 2.965 -0.683 -26.665 164 HD2 PRO 20 2HD PRO 20 3.188 -3.322 -27.767 165 HD3 PRO 20 3HD PRO 20 2.857 -2.908 -26.097 166 H VAL 21 HN VAL 21 -1.892 -1.733 -29.220 167 HA VAL 21 HA VAL 21 -2.506 -1.836 -31.359 168 HB VAL 21 HB VAL 21 0.225 -2.796 -32.174 169 HG11 VAL 21 1HG1 VAL 21 -0.546 -1.050 -34.072 170 HG12 VAL 21 2HG1 VAL 21 -0.986 -2.774 -34.102 171 HG13 VAL 21 3HG1 VAL 21 -2.147 -1.570 -33.492 172 HG21 VAL 21 3HG2 VAL 21 -0.440 -0.256 -30.889 173 HG22 VAL 21 1HG2 VAL 21 1.148 -0.964 -31.275 174 HG23 VAL 21 2HG2 VAL 21 0.263 -0.036 -32.510 175 H PHE 22 HN PHE 22 -0.134 -4.484 -30.595 176 HA PHE 22 HA PHE 22 -2.229 -6.403 -30.572 177 HB2 PHE 22 2HB PHE 22 -1.746 -7.481 -32.645 178 HB3 PHE 22 3HB PHE 22 -1.540 -5.798 -33.085 179 HD1 PHE 22 HD1 PHE 22 1.168 -5.572 -31.503 180 HD2 PHE 22 HD2 PHE 22 -0.316 -8.264 -34.428 181 HE1 PHE 22 HE1 PHE 22 3.515 -6.054 -32.250 182 HE2 PHE 22 HE2 PHE 22 2.031 -8.746 -35.176 183 HZ PHE 22 HZ PHE 22 3.918 -7.635 -34.078 184 H CYS 23 HN CYS 23 -0.596 -8.701 -31.192 185 HA CYS 23 HA CYS 23 1.662 -8.396 -29.380 186 HB2 CYS 23 2HB CYS 23 -0.740 -9.506 -28.529 187 HB3 CYS 23 3HB CYS 23 0.235 -10.903 -28.940 188 HA PRO 24 HA PRO 24 3.267 -10.809 -32.665 189 HB2 PRO 24 2HB PRO 24 5.825 -11.090 -31.744 190 HB3 PRO 24 3HB PRO 24 5.271 -9.676 -32.619 191 HG2 PRO 24 2HG PRO 24 5.807 -9.975 -29.727 192 HG3 PRO 24 3HG PRO 24 5.672 -8.506 -30.672 193 HD2 PRO 24 2HD PRO 24 3.696 -9.596 -28.902 194 HD3 PRO 24 3HD PRO 24 3.517 -8.192 -29.934 195 H ARG 25 HN ARG 25 5.433 -12.697 -32.219 196 HA ARG 25 HA ARG 25 3.968 -14.617 -30.611 197 HB2 ARG 25 2HB ARG 25 4.593 -14.756 -33.510 198 HB3 ARG 25 3HB ARG 25 5.113 -16.180 -32.632 199 HG2 ARG 25 2HG ARG 25 2.978 -16.932 -32.607 200 HG3 ARG 25 3HG ARG 25 2.512 -15.553 -31.632 201 HD2 ARG 25 2HD ARG 25 1.114 -15.334 -33.526 202 HD3 ARG 25 3HD ARG 25 2.424 -14.231 -33.896 203 HE ARG 25 HE ARG 25 3.180 -16.762 -34.925 204 HH11 ARG 25 2HH2 ARG 25 0.673 -14.354 -35.473 205 HH12 ARG 25 1HH2 ARG 25 0.469 -14.762 -37.144 206 HH21 ARG 25 2HH1 ARG 25 2.911 -17.300 -37.129 207 HH22 ARG 25 1HH1 ARG 25 1.750 -16.449 -38.093 208 H ARG 26 HN ARG 26 5.380 -16.459 -29.853 209 HA ARG 26 HA ARG 26 7.239 -17.367 -29.180 210 HB2 ARG 26 2HB ARG 26 8.141 -16.063 -31.525 211 HB3 ARG 26 3HB ARG 26 9.276 -15.550 -30.293 212 HG2 ARG 26 2HG ARG 26 10.085 -17.623 -31.330 213 HG3 ARG 26 3HG ARG 26 9.671 -17.936 -29.657 214 HD2 ARG 26 2HD ARG 26 8.093 -19.464 -30.252 215 HD3 ARG 26 3HD ARG 26 7.320 -18.331 -31.344 216 HE ARG 26 HE ARG 26 8.516 -19.257 -33.146 217 HH11 ARG 26 2HH2 ARG 26 9.871 -20.399 -30.106 218 HH12 ARG 26 1HH2 ARG 26 10.887 -21.584 -30.857 219 HH21 ARG 26 2HH1 ARG 26 9.855 -20.822 -34.137 220 HH22 ARG 26 1HH1 ARG 26 10.878 -21.826 -33.165 221 H TYR 27 HN TYR 27 6.441 -14.034 -28.880 222 HA TYR 27 HA TYR 27 8.334 -12.829 -27.416 223 HB2 TYR 27 2HB TYR 27 6.099 -12.099 -26.052 224 HB3 TYR 27 3HB TYR 27 6.315 -11.617 -27.723 225 HD1 TYR 27 HD2 TYR 27 5.588 -15.122 -26.855 226 HD2 TYR 27 HD1 TYR 27 3.919 -11.384 -28.099 227 HE1 TYR 27 HE2 TYR 27 3.417 -16.290 -27.476 228 HE2 TYR 27 HE1 TYR 27 1.753 -12.565 -28.715 229 HH TYR 27 HH TYR 27 1.138 -14.944 -29.414 230 H LYS 28 HN LYS 28 5.649 -13.790 -25.324 231 HA LYS 28 HA LYS 28 6.593 -15.905 -23.960 232 HB2 LYS 28 2HB LYS 28 8.289 -13.559 -23.442 233 HB3 LYS 28 3HB LYS 28 7.657 -14.300 -21.986 234 HG2 LYS 28 2HG LYS 28 8.870 -16.235 -22.275 235 HG3 LYS 28 3HG LYS 28 8.641 -16.247 -24.012 236 HD2 LYS 28 2HD LYS 28 10.253 -14.058 -23.811 237 HD3 LYS 28 3HD LYS 28 10.791 -14.926 -22.386 238 HE2 LYS 28 2HE LYS 28 12.066 -16.252 -23.712 239 HE3 LYS 28 3HE LYS 28 10.605 -16.892 -24.438 240 HZ1 LYS 28 3HZ LYS 28 12.263 -15.777 -25.943 241 HZ2 LYS 28 1HZ LYS 28 10.703 -15.328 -26.124 242 HZ3 LYS 28 2HZ LYS 28 11.747 -14.352 -25.334 243 H GLN 29 HN GLN 29 4.171 -15.673 -24.231 244 HA GLN 29 HA GLN 29 2.568 -13.873 -23.195 245 HB2 GLN 29 2HB GLN 29 1.788 -15.967 -24.227 246 HB3 GLN 29 3HB GLN 29 2.312 -16.890 -22.833 247 HG2 GLN 29 2HG GLN 29 0.519 -14.635 -22.131 248 HG3 GLN 29 3HG GLN 29 -0.233 -15.809 -23.193 249 HE21 GLN 29 1HE2 GLN 29 -1.496 -15.854 -21.060 250 HE22 GLN 29 2HE2 GLN 29 -1.056 -17.083 -19.922 251 H ILE 30 HN ILE 30 2.090 -12.923 -21.242 252 HA ILE 30 HA ILE 30 3.031 -14.314 -18.839 253 HB ILE 30 HB ILE 30 3.498 -11.445 -19.633 254 HG12 ILE 30 2HG1 ILE 30 5.722 -12.898 -18.468 255 HG13 ILE 30 3HG1 ILE 30 5.067 -13.771 -19.838 256 HG21 ILE 30 1HG2 ILE 30 3.482 -12.710 -16.902 257 HG22 ILE 30 2HG2 ILE 30 4.556 -11.340 -17.275 258 HG23 ILE 30 3HG2 ILE 30 2.793 -11.158 -17.437 259 HD11 ILE 30 3HD1 ILE 30 6.671 -12.284 -20.784 260 HD12 ILE 30 1HD1 ILE 30 5.103 -11.503 -21.102 261 HD13 ILE 30 2HD1 ILE 30 6.131 -10.925 -19.769 262 H GLY 31 HN GLY 31 0.424 -13.412 -20.581 263 HA2 GLY 31 1HA GLY 31 -1.575 -13.821 -18.973 264 HA3 GLY 31 2HA GLY 31 -1.086 -12.262 -18.340 265 H THR 32 HN THR 32 -3.153 -13.766 -20.507 266 HA THR 32 HA THR 32 -3.050 -11.707 -22.549 267 HB THR 32 HB THR 32 -5.027 -13.171 -23.399 268 HG1 THR 32 HG1 THR 32 -5.654 -14.469 -21.709 269 HG21 THR 32 3HG2 THR 32 -2.162 -13.835 -23.224 270 HG22 THR 32 1HG2 THR 32 -3.174 -15.299 -23.260 271 HG23 THR 32 2HG2 THR 32 -3.293 -14.103 -24.572 272 H CYS 33 HN CYS 33 -4.430 -10.013 -22.815 273 HA CYS 33 HA CYS 33 -6.215 -9.568 -20.553 274 HB2 CYS 33 2HB CYS 33 -6.253 -7.196 -21.561 275 HB3 CYS 33 3HB CYS 33 -4.841 -7.734 -20.672 276 H GLY 34 HN GLY 34 -8.403 -8.623 -21.069 277 HA2 GLY 34 1HA GLY 34 -10.017 -10.080 -22.592 278 HA3 GLY 34 2HA GLY 34 -10.265 -8.361 -22.356 279 H LEU 35 HN LEU 35 -8.138 -7.220 -23.811 280 HA LEU 35 HA LEU 35 -9.087 -6.963 -26.297 281 HB2 LEU 35 2HB LEU 35 -6.421 -6.658 -25.049 282 HB3 LEU 35 3HB LEU 35 -6.447 -6.705 -26.801 283 HG LEU 35 HG LEU 35 -8.473 -4.908 -25.659 284 HD11 LEU 35 1HD1 LEU 35 -5.641 -4.697 -24.791 285 HD12 LEU 35 2HD1 LEU 35 -6.431 -3.196 -25.332 286 HD13 LEU 35 3HD1 LEU 35 -7.137 -4.143 -24.001 287 HD21 LEU 35 3HD2 LEU 35 -6.961 -3.405 -27.324 288 HD22 LEU 35 1HD2 LEU 35 -6.594 -5.034 -27.941 289 HD23 LEU 35 2HD2 LEU 35 -8.281 -4.471 -27.861 290 HA PRO 36 HA PRO 36 -8.527 -10.918 -28.044 291 HB2 PRO 36 2HB PRO 36 -9.813 -10.439 -30.407 292 HB3 PRO 36 3HB PRO 36 -10.647 -10.918 -28.942 293 HG2 PRO 36 2HG PRO 36 -10.517 -8.252 -30.214 294 HG3 PRO 36 3HG PRO 36 -11.658 -8.846 -29.024 295 HD2 PRO 36 2HD PRO 36 -9.446 -7.083 -28.551 296 HD3 PRO 36 3HD PRO 36 -10.517 -7.768 -27.344 297 H GLY 37 HN GLY 37 -6.281 -10.985 -28.141 298 HA2 GLY 37 1HA GLY 37 -4.756 -11.521 -29.966 299 HA3 GLY 37 2HA GLY 37 -5.282 -10.054 -30.767 300 H THR 38 HN THR 38 -5.232 -9.529 -27.392 301 HA THR 38 HA THR 38 -2.481 -8.482 -27.541 302 HB THR 38 HB THR 38 -4.708 -7.178 -25.937 303 HG1 THR 38 HG1 THR 38 -3.985 -7.014 -28.776 304 HG21 THR 38 3HG2 THR 38 -2.898 -5.487 -27.507 305 HG22 THR 38 1HG2 THR 38 -3.190 -5.476 -25.751 306 HG23 THR 38 2HG2 THR 38 -1.977 -6.579 -26.445 307 H LYS 39 HN LYS 39 -1.160 -9.575 -26.242 308 HA LYS 39 HA LYS 39 -2.235 -10.335 -23.625 309 HB2 LYS 39 2HB LYS 39 -0.864 -12.455 -23.833 310 HB3 LYS 39 3HB LYS 39 -2.328 -12.380 -24.791 311 HG2 LYS 39 2HG LYS 39 -0.903 -13.062 -26.471 312 HG3 LYS 39 3HG LYS 39 -0.621 -11.339 -26.617 313 HD2 LYS 39 2HD LYS 39 1.573 -12.165 -26.482 314 HD3 LYS 39 3HD LYS 39 1.262 -11.721 -24.816 315 HE2 LYS 39 2HE LYS 39 2.297 -14.038 -25.157 316 HE3 LYS 39 3HE LYS 39 0.852 -14.002 -24.166 317 HZ1 LYS 39 3HZ LYS 39 1.130 -15.613 -26.205 318 HZ2 LYS 39 1HZ LYS 39 -0.331 -15.050 -25.740 319 HZ3 LYS 39 2HZ LYS 39 0.448 -14.359 -26.999 320 H CYS 40 HN CYS 40 -0.266 -10.982 -22.134 321 HA CYS 40 HA CYS 40 1.448 -8.704 -22.187 322 HB2 CYS 40 2HB CYS 40 1.268 -11.072 -20.316 323 HB3 CYS 40 3HB CYS 40 2.389 -9.742 -20.102 324 H CYS 41 HN CYS 41 2.903 -8.837 -23.934 325 HA CYS 41 HA CYS 41 4.666 -11.175 -23.860 326 HB2 CYS 41 2HB CYS 41 4.931 -10.552 -26.409 327 HB3 CYS 41 3HB CYS 41 3.689 -11.649 -25.840 328 H LYS 42 HN LYS 42 6.924 -10.664 -24.498 329 HA LYS 42 HA LYS 42 7.529 -7.809 -24.560 330 HB2 LYS 42 2HB LYS 42 9.324 -8.137 -22.881 331 HB3 LYS 42 3HB LYS 42 7.712 -8.337 -22.226 332 HG2 LYS 42 2HG LYS 42 8.476 -10.318 -21.396 333 HG3 LYS 42 3HG LYS 42 8.296 -10.925 -23.030 334 HD2 LYS 42 2HD LYS 42 10.567 -10.919 -23.438 335 HD3 LYS 42 3HD LYS 42 10.839 -9.449 -22.524 336 HE2 LYS 42 2HE LYS 42 10.147 -12.080 -21.151 337 HE3 LYS 42 3HE LYS 42 11.801 -11.654 -21.545 338 HZ1 LYS 42 3HZ LYS 42 10.223 -9.665 -20.159 339 HZ2 LYS 42 1HZ LYS 42 10.700 -10.967 -19.298 340 HZ3 LYS 42 2HZ LYS 42 11.812 -10.014 -20.019 341 H LYS 43 HN LYS 43 8.608 -7.493 -26.425 342 HA LYS 43 HA LYS 43 9.542 -9.374 -28.103 343 HB2 LYS 43 2HB LYS 43 10.673 -6.603 -27.613 344 HB3 LYS 43 3HB LYS 43 11.032 -7.589 -29.016 345 HG2 LYS 43 2HG LYS 43 9.049 -7.075 -30.006 346 HG3 LYS 43 3HG LYS 43 8.140 -7.463 -28.559 347 HD2 LYS 43 2HD LYS 43 7.873 -5.068 -29.190 348 HD3 LYS 43 3HD LYS 43 8.605 -5.238 -27.607 349 HE2 LYS 43 2HE LYS 43 9.754 -3.518 -29.043 350 HE3 LYS 43 3HE LYS 43 10.833 -4.788 -28.501 351 HZ1 LYS 43 3HZ LYS 43 10.875 -4.174 -30.927 352 HZ2 LYS 43 1HZ LYS 43 10.802 -5.768 -30.582 353 HZ3 LYS 43 2HZ LYS 43 9.462 -4.977 -31.077 354 HA PRO 44 HA PRO 44 13.111 -11.098 -26.399 355 HB2 PRO 44 2HB PRO 44 14.525 -11.831 -28.620 356 HB3 PRO 44 3HB PRO 44 13.175 -12.757 -27.995 357 HG2 PRO 44 2HG PRO 44 13.274 -10.994 -30.367 358 HG3 PRO 44 3HG PRO 44 12.102 -12.235 -29.970 359 HD2 PRO 44 2HD PRO 44 11.748 -9.399 -29.726 360 HD3 PRO 44 3HD PRO 44 10.622 -10.643 -29.221 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 1.853 -0.037 -8.239 2 HA2 GLY 1 1HA GLY 1 1.258 -1.597 -9.828 3 HA3 GLY 1 2HA GLY 1 2.899 -1.633 -10.441 4 H ILE 2 HN ILE 2 3.424 -1.732 -7.193 5 HA ILE 2 HA ILE 2 4.029 -4.491 -7.221 6 HB ILE 2 HB ILE 2 4.089 -2.321 -5.144 7 HG12 ILE 2 2HG1 ILE 2 6.353 -3.953 -6.312 8 HG13 ILE 2 3HG1 ILE 2 5.774 -2.475 -7.054 9 HG21 ILE 2 1HG2 ILE 2 3.507 -4.303 -3.907 10 HG22 ILE 2 2HG2 ILE 2 4.759 -5.249 -4.748 11 HG23 ILE 2 3HG2 ILE 2 5.229 -3.937 -3.641 12 HD11 ILE 2 3HD1 ILE 2 6.169 -2.089 -4.181 13 HD12 ILE 2 1HD1 ILE 2 7.653 -2.684 -4.961 14 HD13 ILE 2 2HD1 ILE 2 6.878 -1.193 -5.545 15 H ILE 3 HN ILE 3 1.549 -2.521 -5.444 16 HA ILE 3 HA ILE 3 0.331 -4.612 -4.140 17 HB ILE 3 HB ILE 3 0.027 -1.987 -4.128 18 HG12 ILE 3 2HG1 ILE 3 -0.753 -3.276 -2.321 19 HG13 ILE 3 3HG1 ILE 3 -2.146 -2.372 -2.881 20 HG21 ILE 3 1HG2 ILE 3 -1.725 -1.097 -5.295 21 HG22 ILE 3 2HG2 ILE 3 -1.164 -2.314 -6.466 22 HG23 ILE 3 3HG2 ILE 3 -2.575 -2.655 -5.436 23 HD11 ILE 3 3HD1 ILE 3 -1.503 -5.298 -3.443 24 HD12 ILE 3 1HD1 ILE 3 -2.880 -4.645 -2.523 25 HD13 ILE 3 2HD1 ILE 3 -2.795 -4.407 -4.285 26 H ASN 4 HN ASN 4 0.359 -3.789 -7.550 27 HA ASN 4 HA ASN 4 -1.919 -5.512 -8.004 28 HB2 ASN 4 2HB ASN 4 -0.523 -3.345 -9.498 29 HB3 ASN 4 3HB ASN 4 -0.985 -4.699 -10.510 30 HD21 ASN 4 1HD2 ASN 4 -2.609 -3.651 -7.562 31 HD22 ASN 4 2HD2 ASN 4 -4.102 -3.148 -8.281 32 H THR 5 HN THR 5 -1.691 -7.513 -9.179 33 HA THR 5 HA THR 5 1.073 -8.264 -9.863 34 HB THR 5 HB THR 5 0.347 -10.587 -9.015 35 HG1 THR 5 HG1 THR 5 -1.695 -10.625 -8.082 36 HG21 THR 5 3HG2 THR 5 1.655 -9.683 -7.314 37 HG22 THR 5 1HG2 THR 5 0.750 -8.151 -7.301 38 HG23 THR 5 2HG2 THR 5 0.081 -9.586 -6.489 39 H LEU 6 HN LEU 6 1.063 -8.103 -12.046 40 HA LEU 6 HA LEU 6 -0.977 -8.307 -13.761 41 HB2 LEU 6 2HB LEU 6 0.574 -8.657 -15.442 42 HB3 LEU 6 3HB LEU 6 1.473 -7.831 -14.185 43 HG LEU 6 HG LEU 6 2.864 -9.539 -15.106 44 HD11 LEU 6 1HD1 LEU 6 3.116 -9.219 -12.723 45 HD12 LEU 6 2HD1 LEU 6 1.815 -10.388 -12.393 46 HD13 LEU 6 3HD1 LEU 6 3.342 -10.938 -13.123 47 HD21 LEU 6 3HD2 LEU 6 2.125 -11.467 -15.921 48 HD22 LEU 6 1HD2 LEU 6 1.449 -11.941 -14.344 49 HD23 LEU 6 2HD2 LEU 6 0.477 -10.965 -15.472 50 H GLN 7 HN GLN 7 -2.384 -9.818 -14.543 51 HA GLN 7 HA GLN 7 -1.846 -12.558 -13.695 52 HB2 GLN 7 2HB GLN 7 -4.554 -11.171 -13.921 53 HB3 GLN 7 3HB GLN 7 -4.319 -12.856 -13.503 54 HG2 GLN 7 2HG GLN 7 -2.616 -11.485 -11.726 55 HG3 GLN 7 3HG GLN 7 -4.033 -10.458 -11.817 56 HE21 GLN 7 1HE2 GLN 7 -5.966 -11.117 -11.013 57 HE22 GLN 7 2HE2 GLN 7 -6.203 -12.557 -10.080 58 H LYS 8 HN LYS 8 -3.843 -10.586 -16.017 59 HA LYS 8 HA LYS 8 -2.743 -11.640 -18.303 60 HB2 LYS 8 2HB LYS 8 -4.721 -13.177 -18.957 61 HB3 LYS 8 3HB LYS 8 -3.439 -13.819 -17.950 62 HG2 LYS 8 2HG LYS 8 -5.299 -12.642 -16.143 63 HG3 LYS 8 3HG LYS 8 -6.274 -13.489 -17.327 64 HD2 LYS 8 2HD LYS 8 -5.483 -15.576 -16.706 65 HD3 LYS 8 3HD LYS 8 -3.877 -14.980 -16.334 66 HE2 LYS 8 2HE LYS 8 -4.388 -14.788 -14.128 67 HE3 LYS 8 3HE LYS 8 -5.784 -13.791 -14.485 68 HZ1 LYS 8 3HZ LYS 8 -5.645 -16.691 -14.247 69 HZ2 LYS 8 1HZ LYS 8 -6.689 -15.651 -13.544 70 HZ3 LYS 8 2HZ LYS 8 -6.840 -16.013 -15.129 71 H TYR 9 HN TYR 9 -6.277 -11.520 -17.581 72 HA TYR 9 HA TYR 9 -7.050 -9.963 -19.618 73 HB2 TYR 9 2HB TYR 9 -8.959 -9.462 -18.144 74 HB3 TYR 9 3HB TYR 9 -8.367 -11.040 -17.664 75 HD1 TYR 9 HD1 TYR 9 -6.103 -10.520 -15.943 76 HD2 TYR 9 HD2 TYR 9 -9.774 -8.348 -16.279 77 HE1 TYR 9 HE1 TYR 9 -5.838 -9.688 -13.555 78 HE2 TYR 9 HE2 TYR 9 -9.497 -7.524 -13.891 79 HH TYR 9 HH TYR 9 -7.623 -7.139 -12.327 80 H TYR 10 HN TYR 10 -5.168 -8.930 -16.804 81 HA TYR 10 HA TYR 10 -5.020 -6.268 -18.000 82 HB2 TYR 10 2HB TYR 10 -5.798 -5.270 -16.000 83 HB3 TYR 10 3HB TYR 10 -6.682 -6.779 -15.889 84 HD1 TYR 10 HD1 TYR 10 -4.286 -8.566 -15.175 85 HD2 TYR 10 HD2 TYR 10 -5.599 -4.780 -13.678 86 HE1 TYR 10 HE1 TYR 10 -3.168 -9.052 -12.944 87 HE2 TYR 10 HE2 TYR 10 -4.477 -5.279 -11.452 88 HH TYR 10 HH TYR 10 -2.940 -8.416 -10.872 89 H CYS 11 HN CYS 11 -3.376 -8.942 -17.433 90 HA CYS 11 HA CYS 11 -1.409 -8.614 -15.665 91 HB2 CYS 11 2HB CYS 11 -1.187 -10.551 -16.826 92 HB3 CYS 11 3HB CYS 11 -1.540 -9.811 -18.375 93 H ARG 12 HN ARG 12 -0.347 -6.721 -15.151 94 HA ARG 12 HA ARG 12 1.041 -5.423 -17.309 95 HB2 ARG 12 2HB ARG 12 0.297 -3.139 -16.417 96 HB3 ARG 12 3HB ARG 12 -0.950 -4.052 -17.244 97 HG2 ARG 12 2HG ARG 12 -2.207 -3.671 -15.377 98 HG3 ARG 12 3HG ARG 12 -1.269 -4.963 -14.654 99 HD2 ARG 12 2HD ARG 12 -0.831 -3.336 -13.070 100 HD3 ARG 12 3HD ARG 12 0.461 -2.933 -14.184 101 HE ARG 12 HE ARG 12 -2.087 -1.588 -14.773 102 HH11 ARG 12 2HH2 ARG 12 0.961 -1.409 -13.024 103 HH12 ARG 12 1HH2 ARG 12 0.921 0.316 -12.874 104 HH21 ARG 12 2HH1 ARG 12 -2.141 0.688 -14.576 105 HH22 ARG 12 1HH1 ARG 12 -0.855 1.517 -13.763 106 H VAL 13 HN VAL 13 2.816 -3.982 -16.482 107 HA VAL 13 HA VAL 13 3.363 -4.264 -13.636 108 HB VAL 13 HB VAL 13 5.810 -4.792 -14.519 109 HG11 VAL 13 1HG1 VAL 13 3.607 -6.341 -13.457 110 HG12 VAL 13 2HG1 VAL 13 4.637 -7.351 -14.501 111 HG13 VAL 13 3HG1 VAL 13 5.351 -6.474 -13.126 112 HG21 VAL 13 3HG2 VAL 13 6.024 -5.804 -16.534 113 HG22 VAL 13 1HG2 VAL 13 4.433 -6.596 -16.428 114 HG23 VAL 13 2HG2 VAL 13 4.546 -4.889 -16.919 115 H ARG 14 HN ARG 14 5.884 -3.421 -15.946 116 HA ARG 14 HA ARG 14 5.609 -0.690 -15.028 117 HB2 ARG 14 2HB ARG 14 7.926 -2.236 -16.280 118 HB3 ARG 14 3HB ARG 14 7.993 -0.503 -16.028 119 HG2 ARG 14 2HG ARG 14 8.457 -0.764 -13.820 120 HG3 ARG 14 3HG ARG 14 7.069 -1.809 -13.590 121 HD2 ARG 14 2HD ARG 14 8.913 -3.207 -13.046 122 HD3 ARG 14 3HD ARG 14 8.509 -3.686 -14.683 123 HE ARG 14 HE ARG 14 10.561 -2.834 -15.413 124 HH11 ARG 14 2HH2 ARG 14 9.817 -1.478 -12.253 125 HH12 ARG 14 1HH2 ARG 14 11.358 -0.706 -12.079 126 HH21 ARG 14 2HH1 ARG 14 12.594 -1.816 -15.185 127 HH22 ARG 14 1HH1 ARG 14 12.948 -0.899 -13.758 128 H GLY 15 HN GLY 15 3.687 -1.352 -16.914 129 HA2 GLY 15 1HA GLY 15 4.247 0.468 -19.028 130 HA3 GLY 15 2HA GLY 15 4.319 -1.187 -19.598 131 H ALA 16 HN ALA 16 2.429 -1.627 -20.660 132 HA ALA 16 HA ALA 16 -0.043 -0.576 -19.504 133 HB1 ALA 16 1HB ALA 16 0.688 -0.221 -21.957 134 HB2 ALA 16 2HB ALA 16 0.298 -1.942 -22.189 135 HB3 ALA 16 3HB ALA 16 -0.969 -0.804 -21.672 136 H ILE 17 HN ILE 17 -1.399 -2.815 -21.195 137 HA ILE 17 HA ILE 17 -1.116 -4.860 -19.110 138 HB ILE 17 HB ILE 17 -3.287 -4.500 -18.889 139 HG12 ILE 17 2HG1 ILE 17 -4.772 -5.659 -20.534 140 HG13 ILE 17 3HG1 ILE 17 -3.390 -5.872 -21.590 141 HG21 ILE 17 1HG2 ILE 17 -3.157 -2.369 -20.064 142 HG22 ILE 17 2HG2 ILE 17 -3.349 -3.200 -21.626 143 HG23 ILE 17 3HG2 ILE 17 -4.679 -3.211 -20.443 144 HD11 ILE 17 3HD1 ILE 17 -2.799 -7.727 -20.440 145 HD12 ILE 17 1HD1 ILE 17 -2.594 -6.745 -18.970 146 HD13 ILE 17 2HD1 ILE 17 -4.173 -7.481 -19.335 147 H CYS 18 HN CYS 18 -1.816 -4.453 -22.654 148 HA CYS 18 HA CYS 18 -0.281 -6.918 -23.043 149 HB2 CYS 18 2HB CYS 18 -2.809 -6.077 -24.474 150 HB3 CYS 18 3HB CYS 18 -1.772 -7.392 -24.991 151 H HIS 19 HN HIS 19 0.526 -7.001 -25.451 152 HA HIS 19 HA HIS 19 2.123 -4.821 -25.916 153 HB2 HIS 19 2HB HIS 19 2.547 -7.056 -26.800 154 HB3 HIS 19 3HB HIS 19 1.145 -6.944 -27.845 155 HD1 HIS 19 HD1 HIS 19 1.478 -4.243 -29.190 156 HD2 HIS 19 HD2 HIS 19 4.694 -6.837 -28.466 157 HE1 HIS 19 HE1 HIS 19 3.304 -3.598 -30.851 158 HE2 HIS 19 HE2 HIS 19 5.274 -5.190 -30.322 159 HA PRO 20 HA PRO 20 -0.588 -1.974 -27.745 160 HB2 PRO 20 2HB PRO 20 1.233 -0.160 -28.673 161 HB3 PRO 20 3HB PRO 20 0.680 -0.198 -27.011 162 HG2 PRO 20 2HG PRO 20 3.267 -1.096 -28.125 163 HG3 PRO 20 3HG PRO 20 2.856 -0.731 -26.461 164 HD2 PRO 20 2HD PRO 20 3.146 -3.336 -27.625 165 HD3 PRO 20 3HD PRO 20 2.623 -2.970 -25.994 166 H VAL 21 HN VAL 21 -1.673 -1.544 -29.629 167 HA VAL 21 HA VAL 21 -2.024 -1.561 -31.828 168 HB VAL 21 HB VAL 21 0.768 -2.560 -32.336 169 HG11 VAL 21 1HG1 VAL 21 -0.232 -2.463 -34.387 170 HG12 VAL 21 2HG1 VAL 21 -1.388 -1.203 -33.892 171 HG13 VAL 21 3HG1 VAL 21 0.297 -0.768 -34.267 172 HG21 VAL 21 3HG2 VAL 21 1.603 -0.777 -31.266 173 HG22 VAL 21 1HG2 VAL 21 0.900 0.206 -32.572 174 HG23 VAL 21 2HG2 VAL 21 -0.007 -0.045 -31.061 175 H PHE 22 HN PHE 22 0.165 -4.296 -30.856 176 HA PHE 22 HA PHE 22 -1.954 -6.157 -31.174 177 HB2 PHE 22 2HB PHE 22 -1.244 -7.175 -33.210 178 HB3 PHE 22 3HB PHE 22 -0.935 -5.485 -33.557 179 HD1 PHE 22 HD1 PHE 22 1.555 -5.392 -31.646 180 HD2 PHE 22 HD2 PHE 22 0.378 -7.955 -34.816 181 HE1 PHE 22 HE1 PHE 22 3.964 -5.926 -32.108 182 HE2 PHE 22 HE2 PHE 22 2.787 -8.490 -35.279 183 HZ PHE 22 HZ PHE 22 4.551 -7.469 -33.919 184 H CYS 23 HN CYS 23 -0.308 -8.476 -31.668 185 HA CYS 23 HA CYS 23 1.720 -8.294 -29.590 186 HB2 CYS 23 2HB CYS 23 -0.827 -9.439 -29.150 187 HB3 CYS 23 3HB CYS 23 0.293 -10.778 -29.309 188 HA PRO 24 HA PRO 24 3.613 -10.678 -32.742 189 HB2 PRO 24 2HB PRO 24 6.052 -11.032 -31.562 190 HB3 PRO 24 3HB PRO 24 5.624 -9.591 -32.464 191 HG2 PRO 24 2HG PRO 24 5.844 -9.948 -29.538 192 HG3 PRO 24 3HG PRO 24 5.840 -8.461 -30.465 193 HD2 PRO 24 2HD PRO 24 3.665 -9.535 -28.934 194 HD3 PRO 24 3HD PRO 24 3.626 -8.111 -29.954 195 H ARG 25 HN ARG 25 5.660 -12.631 -32.149 196 HA ARG 25 HA ARG 25 4.009 -14.538 -30.713 197 HB2 ARG 25 2HB ARG 25 4.933 -14.657 -33.543 198 HB3 ARG 25 3HB ARG 25 5.262 -16.117 -32.632 199 HG2 ARG 25 2HG ARG 25 2.714 -15.752 -31.822 200 HG3 ARG 25 3HG ARG 25 2.609 -14.872 -33.334 201 HD2 ARG 25 2HD ARG 25 3.240 -16.810 -34.631 202 HD3 ARG 25 3HD ARG 25 3.792 -17.677 -33.212 203 HE ARG 25 HE ARG 25 1.554 -18.207 -32.658 204 HH11 ARG 25 2HH2 ARG 25 1.653 -15.896 -35.311 205 HH12 ARG 25 1HH2 ARG 25 -0.026 -16.073 -35.696 206 HH21 ARG 25 2HH1 ARG 25 -0.662 -18.441 -33.167 207 HH22 ARG 25 1HH1 ARG 25 -1.352 -17.530 -34.469 208 H ARG 26 HN ARG 26 5.279 -16.375 -29.790 209 HA ARG 26 HA ARG 26 7.026 -17.334 -28.927 210 HB2 ARG 26 2HB ARG 26 8.884 -15.433 -30.431 211 HB3 ARG 26 3HB ARG 26 9.289 -17.009 -29.782 212 HG2 ARG 26 2HG ARG 26 7.087 -16.730 -31.855 213 HG3 ARG 26 3HG ARG 26 8.767 -16.776 -32.354 214 HD2 ARG 26 2HD ARG 26 8.238 -19.055 -32.427 215 HD3 ARG 26 3HD ARG 26 8.888 -18.933 -30.804 216 HE ARG 26 HE ARG 26 6.130 -18.372 -30.580 217 HH11 ARG 26 2HH2 ARG 26 8.147 -21.074 -31.585 218 HH12 ARG 26 1HH2 ARG 26 6.989 -22.277 -31.124 219 HH21 ARG 26 2HH1 ARG 26 4.601 -19.958 -29.972 220 HH22 ARG 26 1HH1 ARG 26 4.958 -21.637 -30.200 221 H TYR 27 HN TYR 27 6.362 -13.974 -28.803 222 HA TYR 27 HA TYR 27 8.172 -12.717 -27.328 223 HB2 TYR 27 2HB TYR 27 5.880 -12.068 -25.964 224 HB3 TYR 27 3HB TYR 27 6.152 -11.527 -27.608 225 HD1 TYR 27 HD2 TYR 27 5.404 -15.050 -26.742 226 HD2 TYR 27 HD1 TYR 27 3.831 -11.354 -28.216 227 HE1 TYR 27 HE2 TYR 27 3.285 -16.241 -27.488 228 HE2 TYR 27 HE1 TYR 27 1.717 -12.558 -28.957 229 HH TYR 27 HH TYR 27 0.906 -14.626 -29.448 230 H LYS 28 HN LYS 28 5.489 -13.795 -25.259 231 HA LYS 28 HA LYS 28 6.674 -15.793 -23.830 232 HB2 LYS 28 2HB LYS 28 7.861 -13.167 -23.218 233 HB3 LYS 28 3HB LYS 28 7.279 -14.030 -21.808 234 HG2 LYS 28 2HG LYS 28 8.888 -15.656 -21.977 235 HG3 LYS 28 3HG LYS 28 8.732 -15.770 -23.719 236 HD2 LYS 28 2HD LYS 28 9.874 -13.279 -23.500 237 HD3 LYS 28 3HD LYS 28 10.555 -14.055 -22.084 238 HE2 LYS 28 2HE LYS 28 10.598 -15.477 -24.767 239 HE3 LYS 28 3HE LYS 28 11.809 -14.268 -24.393 240 HZ1 LYS 28 3HZ LYS 28 12.846 -15.753 -23.171 241 HZ2 LYS 28 1HZ LYS 28 11.542 -15.978 -22.213 242 HZ3 LYS 28 2HZ LYS 28 11.738 -16.891 -23.553 243 H GLN 29 HN GLN 29 4.284 -16.019 -24.277 244 HA GLN 29 HA GLN 29 2.314 -14.509 -23.386 245 HB2 GLN 29 2HB GLN 29 2.430 -17.013 -24.341 246 HB3 GLN 29 3HB GLN 29 2.150 -17.429 -22.662 247 HG2 GLN 29 2HG GLN 29 0.237 -15.550 -22.871 248 HG3 GLN 29 3HG GLN 29 0.352 -15.942 -24.576 249 HE21 GLN 29 1HE2 GLN 29 -0.605 -16.976 -21.432 250 HE22 GLN 29 2HE2 GLN 29 -1.375 -18.468 -21.862 251 H ILE 30 HN ILE 30 2.296 -13.298 -21.522 252 HA ILE 30 HA ILE 30 2.754 -14.780 -19.027 253 HB ILE 30 HB ILE 30 3.622 -12.021 -19.847 254 HG12 ILE 30 2HG1 ILE 30 5.383 -13.847 -18.322 255 HG13 ILE 30 3HG1 ILE 30 4.944 -14.405 -19.925 256 HG21 ILE 30 1HG2 ILE 30 2.808 -11.402 -17.809 257 HG22 ILE 30 2HG2 ILE 30 2.953 -13.038 -17.122 258 HG23 ILE 30 3HG2 ILE 30 4.402 -12.021 -17.313 259 HD11 ILE 30 3HD1 ILE 30 6.979 -13.065 -20.091 260 HD12 ILE 30 1HD1 ILE 30 5.648 -12.166 -20.858 261 HD13 ILE 30 2HD1 ILE 30 6.205 -11.714 -19.229 262 H GLY 31 HN GLY 31 0.498 -13.339 -21.046 263 HA2 GLY 31 1HA GLY 31 -1.556 -13.431 -19.116 264 HA3 GLY 31 2HA GLY 31 -1.060 -11.766 -19.346 265 H THR 32 HN THR 32 -3.574 -12.102 -20.075 266 HA THR 32 HA THR 32 -3.492 -11.801 -22.936 267 HB THR 32 HB THR 32 -5.562 -13.618 -22.794 268 HG1 THR 32 HG1 THR 32 -5.180 -14.507 -20.782 269 HG21 THR 32 3HG2 THR 32 -4.076 -15.246 -23.808 270 HG22 THR 32 1HG2 THR 32 -3.502 -13.652 -24.352 271 HG23 THR 32 2HG2 THR 32 -2.648 -14.507 -23.045 272 H CYS 33 HN CYS 33 -4.778 -10.155 -23.487 273 HA CYS 33 HA CYS 33 -7.062 -9.649 -21.731 274 HB2 CYS 33 2HB CYS 33 -6.661 -7.326 -21.674 275 HB3 CYS 33 3HB CYS 33 -5.168 -8.114 -21.204 276 H GLY 34 HN GLY 34 -8.491 -7.832 -23.011 277 HA2 GLY 34 1HA GLY 34 -9.983 -7.749 -24.725 278 HA3 GLY 34 2HA GLY 34 -8.536 -7.353 -25.631 279 H LEU 35 HN LEU 35 -8.812 -8.407 -27.579 280 HA LEU 35 HA LEU 35 -9.912 -11.061 -27.620 281 HB2 LEU 35 2HB LEU 35 -8.695 -10.039 -30.075 282 HB3 LEU 35 3HB LEU 35 -10.300 -10.677 -29.781 283 HG LEU 35 HG LEU 35 -9.326 -7.847 -29.363 284 HD11 LEU 35 1HD1 LEU 35 -11.253 -7.355 -30.904 285 HD12 LEU 35 2HD1 LEU 35 -9.907 -8.265 -31.632 286 HD13 LEU 35 3HD1 LEU 35 -11.403 -9.110 -31.165 287 HD21 LEU 35 3HD2 LEU 35 -11.275 -9.210 -27.801 288 HD22 LEU 35 1HD2 LEU 35 -10.828 -7.488 -27.775 289 HD23 LEU 35 2HD2 LEU 35 -12.125 -8.055 -28.855 290 HA PRO 36 HA PRO 36 -6.211 -13.284 -28.044 291 HB2 PRO 36 2HB PRO 36 -6.308 -14.709 -30.374 292 HB3 PRO 36 3HB PRO 36 -7.185 -15.173 -28.929 293 HG2 PRO 36 2HG PRO 36 -8.219 -13.937 -31.408 294 HG3 PRO 36 3HG PRO 36 -9.101 -14.785 -30.153 295 HD2 PRO 36 2HD PRO 36 -8.989 -11.947 -30.555 296 HD3 PRO 36 3HD PRO 36 -9.775 -12.788 -29.234 297 H GLY 37 HN GLY 37 -6.619 -10.691 -29.921 298 HA2 GLY 37 1HA GLY 37 -4.057 -10.997 -31.322 299 HA3 GLY 37 2HA GLY 37 -5.284 -9.780 -31.614 300 H THR 38 HN THR 38 -5.203 -9.976 -28.300 301 HA THR 38 HA THR 38 -2.884 -8.209 -28.004 302 HB THR 38 HB THR 38 -5.541 -7.499 -26.723 303 HG1 THR 38 HG1 THR 38 -5.977 -6.353 -28.735 304 HG21 THR 38 3HG2 THR 38 -2.912 -6.277 -27.063 305 HG22 THR 38 1HG2 THR 38 -4.149 -5.280 -27.865 306 HG23 THR 38 2HG2 THR 38 -4.304 -5.670 -26.136 307 H LYS 39 HN LYS 39 -1.704 -9.772 -26.919 308 HA LYS 39 HA LYS 39 -2.921 -10.623 -24.382 309 HB2 LYS 39 2HB LYS 39 -1.391 -12.598 -24.538 310 HB3 LYS 39 3HB LYS 39 -2.658 -12.555 -25.747 311 HG2 LYS 39 2HG LYS 39 -0.802 -13.060 -27.078 312 HG3 LYS 39 3HG LYS 39 -0.849 -11.315 -27.232 313 HD2 LYS 39 2HD LYS 39 1.450 -12.006 -26.751 314 HD3 LYS 39 3HD LYS 39 0.828 -11.111 -25.379 315 HE2 LYS 39 2HE LYS 39 0.393 -14.079 -25.318 316 HE3 LYS 39 3HE LYS 39 2.053 -13.542 -25.152 317 HZ1 LYS 39 3HZ LYS 39 0.278 -13.630 -23.166 318 HZ2 LYS 39 1HZ LYS 39 1.631 -12.715 -23.151 319 HZ3 LYS 39 2HZ LYS 39 0.200 -12.051 -23.575 320 H CYS 40 HN CYS 40 -1.147 -11.103 -22.666 321 HA CYS 40 HA CYS 40 0.430 -8.711 -22.516 322 HB2 CYS 40 2HB CYS 40 -0.924 -9.838 -20.629 323 HB3 CYS 40 3HB CYS 40 0.426 -10.949 -20.503 324 H CYS 41 HN CYS 41 1.950 -9.115 -24.282 325 HA CYS 41 HA CYS 41 3.760 -11.355 -23.769 326 HB2 CYS 41 2HB CYS 41 4.518 -10.632 -26.195 327 HB3 CYS 41 3HB CYS 41 3.182 -11.732 -25.916 328 H LYS 42 HN LYS 42 6.141 -10.826 -24.230 329 HA LYS 42 HA LYS 42 6.881 -8.558 -22.739 330 HB2 LYS 42 2HB LYS 42 8.217 -10.811 -24.112 331 HB3 LYS 42 3HB LYS 42 9.178 -9.351 -23.991 332 HG2 LYS 42 2HG LYS 42 8.789 -9.261 -21.541 333 HG3 LYS 42 3HG LYS 42 7.744 -10.665 -21.634 334 HD2 LYS 42 2HD LYS 42 9.525 -12.063 -21.521 335 HD3 LYS 42 3HD LYS 42 10.253 -11.313 -22.928 336 HE2 LYS 42 2HE LYS 42 10.443 -10.111 -20.128 337 HE3 LYS 42 3HE LYS 42 11.643 -11.214 -20.773 338 HZ1 LYS 42 3HZ LYS 42 12.309 -8.995 -21.195 339 HZ2 LYS 42 1HZ LYS 42 11.912 -9.661 -22.633 340 HZ3 LYS 42 2HZ LYS 42 10.891 -8.612 -21.908 341 H LYS 43 HN LYS 43 8.736 -7.056 -23.768 342 HA LYS 43 HA LYS 43 8.416 -6.383 -26.487 343 HB2 LYS 43 2HB LYS 43 6.216 -5.583 -25.446 344 HB3 LYS 43 3HB LYS 43 7.166 -4.372 -24.608 345 HG2 LYS 43 2HG LYS 43 8.160 -3.953 -27.077 346 HG3 LYS 43 3HG LYS 43 6.630 -4.658 -27.562 347 HD2 LYS 43 2HD LYS 43 6.076 -2.380 -27.429 348 HD3 LYS 43 3HD LYS 43 5.564 -2.957 -25.856 349 HE2 LYS 43 2HE LYS 43 8.284 -2.322 -25.479 350 HE3 LYS 43 3HE LYS 43 7.705 -1.051 -26.536 351 HZ1 LYS 43 3HZ LYS 43 7.397 -0.970 -23.950 352 HZ2 LYS 43 1HZ LYS 43 6.313 -0.287 -24.964 353 HZ3 LYS 43 2HZ LYS 43 6.009 -1.751 -24.307 354 HA PRO 44 HA PRO 44 12.201 -5.021 -24.542 355 HB2 PRO 44 2HB PRO 44 13.903 -5.973 -26.457 356 HB3 PRO 44 3HB PRO 44 13.448 -6.893 -25.036 357 HG2 PRO 44 2HG PRO 44 12.538 -7.224 -27.829 358 HG3 PRO 44 3HG PRO 44 12.439 -8.362 -26.500 359 HD2 PRO 44 2HD PRO 44 10.299 -6.774 -27.562 360 HD3 PRO 44 3HD PRO 44 10.230 -7.824 -26.161 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -1.469 -3.507 3.403 2 HA2 GLY 1 1HA GLY 1 -0.378 -2.732 1.232 3 HA3 GLY 1 2HA GLY 1 0.563 -3.779 2.275 4 H ILE 2 HN ILE 2 -2.265 -4.528 0.126 5 HA ILE 2 HA ILE 2 -0.641 -6.643 -1.060 6 HB ILE 2 HB ILE 2 -3.617 -6.144 -1.186 7 HG12 ILE 2 2HG1 ILE 2 -3.212 -8.447 0.274 8 HG13 ILE 2 3HG1 ILE 2 -1.905 -7.423 0.836 9 HG21 ILE 2 1HG2 ILE 2 -2.528 -7.425 -3.094 10 HG22 ILE 2 2HG2 ILE 2 -2.144 -8.683 -1.895 11 HG23 ILE 2 3HG2 ILE 2 -3.840 -8.250 -2.218 12 HD11 ILE 2 3HD1 ILE 2 -3.331 -5.874 1.794 13 HD12 ILE 2 1HD1 ILE 2 -4.595 -6.122 0.566 14 HD13 ILE 2 2HD1 ILE 2 -4.393 -7.300 1.885 15 H ILE 3 HN ILE 3 0.417 -6.201 -2.911 16 HA ILE 3 HA ILE 3 -0.978 -4.576 -4.888 17 HB ILE 3 HB ILE 3 1.785 -4.014 -3.815 18 HG12 ILE 3 2HG1 ILE 3 0.386 -1.648 -3.931 19 HG13 ILE 3 3HG1 ILE 3 -0.873 -2.785 -3.494 20 HG21 ILE 3 1HG2 ILE 3 1.197 -2.084 -5.727 21 HG22 ILE 3 2HG2 ILE 3 2.366 -3.418 -5.879 22 HG23 ILE 3 3HG2 ILE 3 0.706 -3.616 -6.489 23 HD11 ILE 3 3HD1 ILE 3 0.361 -1.783 -1.518 24 HD12 ILE 3 1HD1 ILE 3 0.380 -3.562 -1.559 25 HD13 ILE 3 2HD1 ILE 3 1.819 -2.646 -2.066 26 H ASN 4 HN ASN 4 -0.877 -5.491 -6.882 27 HA ASN 4 HA ASN 4 0.872 -7.788 -7.096 28 HB2 ASN 4 2HB ASN 4 -1.751 -6.968 -8.244 29 HB3 ASN 4 3HB ASN 4 -0.683 -7.707 -9.421 30 HD21 ASN 4 1HD2 ASN 4 -0.968 -8.259 -5.926 31 HD22 ASN 4 2HD2 ASN 4 -1.399 -9.935 -5.997 32 H THR 5 HN THR 5 2.089 -8.079 -9.207 33 HA THR 5 HA THR 5 2.486 -5.593 -10.704 34 HB THR 5 HB THR 5 4.769 -7.295 -9.585 35 HG1 THR 5 HG1 THR 5 3.515 -4.763 -8.782 36 HG21 THR 5 3HG2 THR 5 5.172 -4.419 -10.113 37 HG22 THR 5 1HG2 THR 5 6.160 -5.805 -10.635 38 HG23 THR 5 2HG2 THR 5 4.739 -5.315 -11.589 39 H LEU 6 HN LEU 6 0.932 -7.973 -11.313 40 HA LEU 6 HA LEU 6 1.509 -8.373 -13.885 41 HB2 LEU 6 2HB LEU 6 3.605 -9.218 -13.795 42 HB3 LEU 6 3HB LEU 6 3.391 -9.919 -12.203 43 HG LEU 6 HG LEU 6 2.132 -11.786 -13.148 44 HD11 LEU 6 1HD1 LEU 6 2.693 -11.398 -15.952 45 HD12 LEU 6 2HD1 LEU 6 1.148 -11.738 -15.135 46 HD13 LEU 6 3HD1 LEU 6 1.706 -10.058 -15.321 47 HD21 LEU 6 3HD2 LEU 6 3.939 -12.962 -14.054 48 HD22 LEU 6 1HD2 LEU 6 4.630 -11.507 -14.812 49 HD23 LEU 6 2HD2 LEU 6 4.696 -11.707 -13.044 50 H GLN 7 HN GLN 7 -0.219 -9.451 -14.742 51 HA GLN 7 HA GLN 7 -1.409 -11.560 -13.221 52 HB2 GLN 7 2HB GLN 7 -2.847 -8.925 -13.708 53 HB3 GLN 7 3HB GLN 7 -3.721 -10.414 -13.411 54 HG2 GLN 7 2HG GLN 7 -2.467 -10.701 -11.250 55 HG3 GLN 7 3HG GLN 7 -1.639 -9.184 -11.543 56 HE21 GLN 7 1HE2 GLN 7 -4.651 -10.740 -10.761 57 HE22 GLN 7 2HE2 GLN 7 -5.529 -9.344 -10.233 58 H LYS 8 HN LYS 8 -2.846 -9.347 -15.697 59 HA LYS 8 HA LYS 8 -2.109 -10.703 -17.959 60 HB2 LYS 8 2HB LYS 8 -4.327 -11.978 -18.357 61 HB3 LYS 8 3HB LYS 8 -3.070 -12.732 -17.396 62 HG2 LYS 8 2HG LYS 8 -4.593 -11.191 -15.553 63 HG3 LYS 8 3HG LYS 8 -5.774 -11.948 -16.603 64 HD2 LYS 8 2HD LYS 8 -5.313 -14.061 -15.826 65 HD3 LYS 8 3HD LYS 8 -3.586 -13.773 -15.761 66 HE2 LYS 8 2HE LYS 8 -4.742 -12.088 -13.760 67 HE3 LYS 8 3HE LYS 8 -5.540 -13.640 -13.605 68 HZ1 LYS 8 3HZ LYS 8 -3.146 -14.525 -13.801 69 HZ2 LYS 8 1HZ LYS 8 -2.713 -13.019 -13.339 70 HZ3 LYS 8 2HZ LYS 8 -3.666 -13.928 -12.373 71 H TYR 9 HN TYR 9 -5.508 -9.993 -16.956 72 HA TYR 9 HA TYR 9 -6.236 -8.494 -19.058 73 HB2 TYR 9 2HB TYR 9 -7.912 -7.615 -17.487 74 HB3 TYR 9 3HB TYR 9 -7.502 -9.219 -16.913 75 HD1 TYR 9 HD1 TYR 9 -5.063 -8.926 -15.415 76 HD2 TYR 9 HD2 TYR 9 -8.366 -6.221 -15.692 77 HE1 TYR 9 HE1 TYR 9 -4.467 -7.953 -13.142 78 HE2 TYR 9 HE2 TYR 9 -7.759 -5.258 -13.419 79 HH TYR 9 HH TYR 9 -5.286 -5.185 -12.098 80 H TYR 10 HN TYR 10 -3.951 -7.571 -16.524 81 HA TYR 10 HA TYR 10 -3.519 -5.062 -17.949 82 HB2 TYR 10 2HB TYR 10 -4.001 -3.792 -16.014 83 HB3 TYR 10 3HB TYR 10 -5.073 -5.140 -15.694 84 HD1 TYR 10 HD1 TYR 10 -2.897 -7.186 -14.967 85 HD2 TYR 10 HD2 TYR 10 -3.553 -3.131 -13.770 86 HE1 TYR 10 HE1 TYR 10 -1.682 -7.628 -12.777 87 HE2 TYR 10 HE2 TYR 10 -2.336 -3.587 -11.584 88 HH TYR 10 HH TYR 10 -1.977 -6.019 -10.199 89 H CYS 11 HN CYS 11 -2.258 -7.905 -17.224 90 HA CYS 11 HA CYS 11 -0.144 -7.760 -15.623 91 HB2 CYS 11 2HB CYS 11 -0.245 -9.778 -16.634 92 HB3 CYS 11 3HB CYS 11 -0.664 -9.112 -18.200 93 H ARG 12 HN ARG 12 1.877 -6.721 -15.554 94 HA ARG 12 HA ARG 12 3.592 -5.539 -16.250 95 HB2 ARG 12 2HB ARG 12 2.788 -6.306 -18.696 96 HB3 ARG 12 3HB ARG 12 2.285 -4.632 -18.825 97 HG2 ARG 12 2HG ARG 12 4.454 -3.826 -18.834 98 HG3 ARG 12 3HG ARG 12 5.034 -5.055 -17.728 99 HD2 ARG 12 2HD ARG 12 4.453 -6.638 -19.881 100 HD3 ARG 12 3HD ARG 12 4.813 -5.142 -20.719 101 HE ARG 12 HE ARG 12 6.869 -5.499 -18.807 102 HH11 ARG 12 2HH2 ARG 12 5.652 -7.154 -21.664 103 HH12 ARG 12 1HH2 ARG 12 7.188 -7.837 -22.079 104 HH21 ARG 12 2HH1 ARG 12 8.896 -6.400 -19.355 105 HH22 ARG 12 1HH1 ARG 12 9.046 -7.406 -20.757 106 H VAL 13 HN VAL 13 1.228 -4.633 -14.766 107 HA VAL 13 HA VAL 13 0.250 -2.802 -14.002 108 HB VAL 13 HB VAL 13 2.509 -1.177 -15.131 109 HG11 VAL 13 1HG1 VAL 13 2.192 -0.546 -12.470 110 HG12 VAL 13 2HG1 VAL 13 1.443 0.319 -13.834 111 HG13 VAL 13 3HG1 VAL 13 0.529 -0.939 -12.968 112 HG21 VAL 13 3HG2 VAL 13 3.551 -2.008 -12.768 113 HG22 VAL 13 1HG2 VAL 13 2.704 -3.487 -13.281 114 HG23 VAL 13 2HG2 VAL 13 3.932 -2.752 -14.340 115 H ARG 14 HN ARG 14 -0.604 -0.489 -14.628 116 HA ARG 14 HA ARG 14 -2.098 -0.828 -16.909 117 HB2 ARG 14 2HB ARG 14 -2.769 1.558 -16.559 118 HB3 ARG 14 3HB ARG 14 -2.782 0.657 -15.056 119 HG2 ARG 14 2HG ARG 14 -0.192 1.562 -15.037 120 HG3 ARG 14 3HG ARG 14 -0.957 2.859 -15.934 121 HD2 ARG 14 2HD ARG 14 -2.742 2.354 -13.799 122 HD3 ARG 14 3HD ARG 14 -1.154 2.214 -13.071 123 HE ARG 14 HE ARG 14 -1.428 4.562 -14.805 124 HH11 ARG 14 2HH2 ARG 14 -1.885 3.310 -11.548 125 HH12 ARG 14 1HH2 ARG 14 -1.823 4.872 -10.802 126 HH21 ARG 14 2HH1 ARG 14 -1.346 6.623 -13.821 127 HH22 ARG 14 1HH1 ARG 14 -1.515 6.769 -12.103 128 H GLY 15 HN GLY 15 -2.155 0.821 -18.817 129 HA2 GLY 15 1HA GLY 15 -1.152 1.602 -20.671 130 HA3 GLY 15 2HA GLY 15 -0.027 2.393 -19.585 131 H ALA 16 HN ALA 16 -0.455 -0.095 -21.953 132 HA ALA 16 HA ALA 16 1.134 -1.227 -23.057 133 HB1 ALA 16 1HB ALA 16 3.376 -0.835 -22.712 134 HB2 ALA 16 2HB ALA 16 2.714 0.557 -21.822 135 HB3 ALA 16 3HB ALA 16 3.227 -0.901 -20.939 136 H ILE 17 HN ILE 17 -0.757 -2.090 -20.873 137 HA ILE 17 HA ILE 17 0.437 -4.054 -19.297 138 HB ILE 17 HB ILE 17 -1.731 -4.726 -18.766 139 HG12 ILE 17 2HG1 ILE 17 -2.520 -5.263 -21.017 140 HG13 ILE 17 3HG1 ILE 17 -3.710 -4.332 -20.128 141 HG21 ILE 17 1HG2 ILE 17 -1.099 -1.952 -18.965 142 HG22 ILE 17 2HG2 ILE 17 -2.839 -2.155 -19.284 143 HG23 ILE 17 3HG2 ILE 17 -2.131 -2.785 -17.777 144 HD11 ILE 17 3HD1 ILE 17 -3.656 -3.309 -22.272 145 HD12 ILE 17 1HD1 ILE 17 -2.660 -2.235 -21.261 146 HD13 ILE 17 2HD1 ILE 17 -1.881 -3.394 -22.364 147 H CYS 18 HN CYS 18 -0.032 -3.868 -22.706 148 HA CYS 18 HA CYS 18 0.941 -6.562 -22.948 149 HB2 CYS 18 2HB CYS 18 -0.870 -6.976 -24.768 150 HB3 CYS 18 3HB CYS 18 -1.207 -7.318 -23.083 151 H HIS 19 HN HIS 19 1.444 -6.962 -25.401 152 HA HIS 19 HA HIS 19 3.100 -5.037 -26.329 153 HB2 HIS 19 2HB HIS 19 3.084 -7.345 -27.114 154 HB3 HIS 19 3HB HIS 19 1.543 -7.100 -27.911 155 HD1 HIS 19 HD1 HIS 19 1.940 -4.557 -29.500 156 HD2 HIS 19 HD2 HIS 19 4.930 -7.474 -29.115 157 HE1 HIS 19 HE1 HIS 19 3.511 -4.237 -31.485 158 HE2 HIS 19 HE2 HIS 19 5.357 -6.022 -31.164 159 HA PRO 20 HA PRO 20 0.492 -1.938 -27.878 160 HB2 PRO 20 2HB PRO 20 2.338 -0.433 -29.218 161 HB3 PRO 20 3HB PRO 20 2.081 -0.318 -27.489 162 HG2 PRO 20 2HG PRO 20 4.302 -1.610 -28.951 163 HG3 PRO 20 3HG PRO 20 4.235 -1.114 -27.271 164 HD2 PRO 20 2HD PRO 20 3.989 -3.787 -28.283 165 HD3 PRO 20 3HD PRO 20 3.807 -3.276 -26.617 166 H VAL 21 HN VAL 21 -0.840 -1.455 -29.581 167 HA VAL 21 HA VAL 21 -1.570 -1.531 -31.683 168 HB VAL 21 HB VAL 21 0.951 -2.906 -32.579 169 HG11 VAL 21 1HG1 VAL 21 0.349 -1.131 -34.510 170 HG12 VAL 21 2HG1 VAL 21 -0.336 -2.773 -34.453 171 HG13 VAL 21 3HG1 VAL 21 -1.281 -1.393 -33.843 172 HG21 VAL 21 3HG2 VAL 21 2.125 -1.199 -31.695 173 HG22 VAL 21 1HG2 VAL 21 1.452 -0.250 -33.042 174 HG23 VAL 21 2HG2 VAL 21 0.674 -0.200 -31.442 175 H PHE 22 HN PHE 22 0.418 -4.482 -30.934 176 HA PHE 22 HA PHE 22 -1.935 -6.065 -30.758 177 HB2 PHE 22 2HB PHE 22 -1.714 -7.259 -32.811 178 HB3 PHE 22 3HB PHE 22 -1.275 -5.639 -33.316 179 HD1 PHE 22 HD1 PHE 22 1.504 -5.773 -31.862 180 HD2 PHE 22 HD2 PHE 22 -0.499 -8.311 -34.610 181 HE1 PHE 22 HE1 PHE 22 3.716 -6.628 -32.685 182 HE2 PHE 22 HE2 PHE 22 1.712 -9.166 -35.433 183 HZ PHE 22 HZ PHE 22 3.793 -8.315 -34.460 184 H CYS 23 HN CYS 23 -0.569 -8.573 -31.488 185 HA CYS 23 HA CYS 23 1.753 -8.566 -29.751 186 HB2 CYS 23 2HB CYS 23 -0.775 -9.346 -28.790 187 HB3 CYS 23 3HB CYS 23 0.091 -10.838 -29.097 188 HA PRO 24 HA PRO 24 2.781 -11.289 -33.026 189 HB2 PRO 24 2HB PRO 24 5.329 -11.902 -32.251 190 HB3 PRO 24 3HB PRO 24 4.923 -10.454 -33.151 191 HG2 PRO 24 2HG PRO 24 5.601 -10.727 -30.286 192 HG3 PRO 24 3HG PRO 24 5.612 -9.286 -31.285 193 HD2 PRO 24 2HD PRO 24 3.623 -10.021 -29.353 194 HD3 PRO 24 3HD PRO 24 3.576 -8.642 -30.433 195 H ARG 25 HN ARG 25 4.650 -13.462 -32.678 196 HA ARG 25 HA ARG 25 3.065 -15.090 -30.873 197 HB2 ARG 25 2HB ARG 25 3.432 -15.417 -33.805 198 HB3 ARG 25 3HB ARG 25 3.782 -16.875 -32.898 199 HG2 ARG 25 2HG ARG 25 1.512 -17.198 -33.057 200 HG3 ARG 25 3HG ARG 25 1.470 -16.149 -31.654 201 HD2 ARG 25 2HD ARG 25 -0.021 -14.980 -32.988 202 HD3 ARG 25 3HD ARG 25 1.458 -14.220 -33.543 203 HE ARG 25 HE ARG 25 1.090 -15.185 -35.629 204 HH11 ARG 25 2HH2 ARG 25 -0.544 -17.138 -33.201 205 HH12 ARG 25 1HH2 ARG 25 -1.243 -18.221 -34.357 206 HH21 ARG 25 2HH1 ARG 25 0.169 -16.614 -37.156 207 HH22 ARG 25 1HH1 ARG 25 -0.834 -17.921 -36.622 208 H ARG 26 HN ARG 26 4.254 -17.165 -30.241 209 HA ARG 26 HA ARG 26 6.005 -18.289 -29.633 210 HB2 ARG 26 2HB ARG 26 6.933 -17.087 -32.088 211 HB3 ARG 26 3HB ARG 26 8.253 -17.005 -30.937 212 HG2 ARG 26 2HG ARG 26 8.568 -19.132 -31.899 213 HG3 ARG 26 3HG ARG 26 7.694 -19.519 -30.431 214 HD2 ARG 26 2HD ARG 26 6.608 -20.751 -32.195 215 HD3 ARG 26 3HD ARG 26 5.529 -19.428 -31.798 216 HE ARG 26 HE ARG 26 5.964 -18.446 -33.896 217 HH11 ARG 26 2HH2 ARG 26 8.245 -21.057 -33.297 218 HH12 ARG 26 1HH2 ARG 26 8.861 -21.062 -34.916 219 HH21 ARG 26 2HH1 ARG 26 6.776 -18.452 -36.032 220 HH22 ARG 26 1HH1 ARG 26 8.020 -19.570 -36.482 221 H TYR 27 HN TYR 27 5.665 -14.913 -29.353 222 HA TYR 27 HA TYR 27 7.909 -13.972 -28.144 223 HB2 TYR 27 2HB TYR 27 5.973 -12.748 -26.714 224 HB3 TYR 27 3HB TYR 27 6.095 -12.451 -28.437 225 HD1 TYR 27 HD2 TYR 27 4.880 -15.699 -27.222 226 HD2 TYR 27 HD1 TYR 27 3.736 -11.803 -28.569 227 HE1 TYR 27 HE2 TYR 27 2.487 -16.501 -27.532 228 HE2 TYR 27 HE1 TYR 27 1.347 -12.617 -28.875 229 HH TYR 27 HH TYR 27 -0.084 -14.258 -28.261 230 H LYS 28 HN LYS 28 5.297 -14.232 -25.802 231 HA LYS 28 HA LYS 28 6.062 -16.462 -24.388 232 HB2 LYS 28 2HB LYS 28 7.983 -14.312 -24.122 233 HB3 LYS 28 3HB LYS 28 7.230 -14.645 -22.575 234 HG2 LYS 28 2HG LYS 28 8.035 -16.838 -22.486 235 HG3 LYS 28 3HG LYS 28 8.071 -17.016 -24.229 236 HD2 LYS 28 2HD LYS 28 9.922 -14.976 -23.819 237 HD3 LYS 28 3HD LYS 28 10.159 -15.971 -22.396 238 HE2 LYS 28 2HE LYS 28 10.021 -17.922 -24.329 239 HE3 LYS 28 3HE LYS 28 10.698 -16.606 -25.269 240 HZ1 LYS 28 3HZ LYS 28 12.481 -16.428 -23.772 241 HZ2 LYS 28 1HZ LYS 28 11.790 -17.413 -22.668 242 HZ3 LYS 28 2HZ LYS 28 12.326 -18.024 -24.084 243 H GLN 29 HN GLN 29 3.977 -16.751 -23.749 244 HA GLN 29 HA GLN 29 2.247 -14.680 -23.197 245 HB2 GLN 29 2HB GLN 29 1.536 -16.986 -23.759 246 HB3 GLN 29 3HB GLN 29 2.173 -17.575 -22.236 247 HG2 GLN 29 2HG GLN 29 0.297 -15.286 -21.946 248 HG3 GLN 29 3HG GLN 29 -0.435 -16.715 -22.649 249 HE21 GLN 29 1HE2 GLN 29 -1.455 -16.067 -20.368 250 HE22 GLN 29 2HE2 GLN 29 -0.921 -17.051 -19.046 251 H ILE 30 HN ILE 30 2.238 -13.239 -21.532 252 HA ILE 30 HA ILE 30 3.077 -14.231 -18.909 253 HB ILE 30 HB ILE 30 3.999 -11.681 -20.236 254 HG12 ILE 30 2HG1 ILE 30 5.155 -13.802 -20.909 255 HG13 ILE 30 3HG1 ILE 30 6.191 -12.593 -20.178 256 HG21 ILE 30 1HG2 ILE 30 5.355 -11.506 -18.051 257 HG22 ILE 30 2HG2 ILE 30 3.640 -11.030 -18.028 258 HG23 ILE 30 3HG2 ILE 30 4.133 -12.611 -17.375 259 HD11 ILE 30 3HD1 ILE 30 6.661 -14.852 -19.263 260 HD12 ILE 30 1HD1 ILE 30 6.057 -13.763 -17.991 261 HD13 ILE 30 2HD1 ILE 30 4.974 -14.979 -18.710 262 H GLY 31 HN GLY 31 0.567 -13.304 -20.712 263 HA2 GLY 31 1HA GLY 31 -1.217 -12.775 -18.765 264 HA3 GLY 31 2HA GLY 31 -0.522 -11.194 -19.060 265 H THR 32 HN THR 32 -3.102 -11.198 -19.616 266 HA THR 32 HA THR 32 -3.169 -10.997 -22.497 267 HB THR 32 HB THR 32 -5.474 -12.408 -22.215 268 HG1 THR 32 HG1 THR 32 -5.340 -13.544 -20.318 269 HG21 THR 32 3HG2 THR 32 -4.298 -14.417 -22.974 270 HG22 THR 32 1HG2 THR 32 -3.500 -13.014 -23.723 271 HG23 THR 32 2HG2 THR 32 -2.757 -13.814 -22.318 272 H CYS 33 HN CYS 33 -4.191 -9.177 -23.054 273 HA CYS 33 HA CYS 33 -5.987 -8.058 -21.027 274 HB2 CYS 33 2HB CYS 33 -5.354 -5.879 -21.681 275 HB3 CYS 33 3HB CYS 33 -3.880 -6.791 -21.420 276 H GLY 34 HN GLY 34 -7.217 -9.912 -22.520 277 HA2 GLY 34 1HA GLY 34 -8.991 -10.215 -23.870 278 HA3 GLY 34 2HA GLY 34 -9.136 -8.474 -24.017 279 H LEU 35 HN LEU 35 -9.513 -10.472 -26.144 280 HA LEU 35 HA LEU 35 -9.019 -10.772 -28.273 281 HB2 LEU 35 2HB LEU 35 -7.985 -8.071 -27.703 282 HB3 LEU 35 3HB LEU 35 -7.322 -8.828 -29.137 283 HG LEU 35 HG LEU 35 -9.737 -9.267 -29.857 284 HD11 LEU 35 1HD1 LEU 35 -10.940 -8.981 -27.834 285 HD12 LEU 35 2HD1 LEU 35 -10.232 -7.372 -27.553 286 HD13 LEU 35 3HD1 LEU 35 -11.386 -7.617 -28.887 287 HD21 LEU 35 3HD2 LEU 35 -8.292 -7.572 -30.881 288 HD22 LEU 35 1HD2 LEU 35 -9.987 -7.036 -30.804 289 HD23 LEU 35 2HD2 LEU 35 -8.797 -6.393 -29.647 290 HA PRO 36 HA PRO 36 -5.340 -13.047 -28.085 291 HB2 PRO 36 2HB PRO 36 -5.450 -14.244 -30.540 292 HB3 PRO 36 3HB PRO 36 -6.323 -14.841 -29.143 293 HG2 PRO 36 2HG PRO 36 -7.361 -13.373 -31.489 294 HG3 PRO 36 3HG PRO 36 -8.242 -14.334 -30.317 295 HD2 PRO 36 2HD PRO 36 -8.124 -11.471 -30.447 296 HD3 PRO 36 3HD PRO 36 -8.907 -12.432 -29.209 297 H GLY 37 HN GLY 37 -5.747 -10.286 -29.703 298 HA2 GLY 37 1HA GLY 37 -3.106 -10.461 -31.009 299 HA3 GLY 37 2HA GLY 37 -4.385 -9.332 -31.410 300 H THR 38 HN THR 38 -4.500 -9.577 -28.076 301 HA THR 38 HA THR 38 -2.371 -7.620 -27.622 302 HB THR 38 HB THR 38 -5.142 -7.126 -26.501 303 HG1 THR 38 HG1 THR 38 -4.023 -6.493 -29.142 304 HG21 THR 38 3HG2 THR 38 -2.685 -5.737 -26.442 305 HG22 THR 38 1HG2 THR 38 -3.621 -4.910 -27.710 306 HG23 THR 38 2HG2 THR 38 -4.282 -5.048 -26.063 307 H LYS 39 HN LYS 39 -1.239 -9.350 -26.600 308 HA LYS 39 HA LYS 39 -2.399 -9.965 -23.974 309 HB2 LYS 39 2HB LYS 39 -1.217 -12.188 -24.158 310 HB3 LYS 39 3HB LYS 39 -2.627 -11.986 -25.178 311 HG2 LYS 39 2HG LYS 39 -1.186 -12.783 -26.795 312 HG3 LYS 39 3HG LYS 39 -0.768 -11.086 -26.924 313 HD2 LYS 39 2HD LYS 39 1.356 -12.030 -26.683 314 HD3 LYS 39 3HD LYS 39 0.987 -11.645 -25.014 315 HE2 LYS 39 2HE LYS 39 0.437 -14.369 -26.284 316 HE3 LYS 39 3HE LYS 39 1.889 -13.995 -25.376 317 HZ1 LYS 39 3HZ LYS 39 0.433 -14.908 -23.852 318 HZ2 LYS 39 1HZ LYS 39 0.302 -13.307 -23.559 319 HZ3 LYS 39 2HZ LYS 39 -0.865 -14.081 -24.398 320 H CYS 40 HN CYS 40 -0.489 -10.820 -22.475 321 HA CYS 40 HA CYS 40 1.445 -8.692 -22.551 322 HB2 CYS 40 2HB CYS 40 0.124 -10.015 -20.525 323 HB3 CYS 40 3HB CYS 40 1.727 -10.719 -20.450 324 H CYS 41 HN CYS 41 2.664 -9.352 -24.466 325 HA CYS 41 HA CYS 41 4.118 -11.864 -24.119 326 HB2 CYS 41 2HB CYS 41 4.724 -11.261 -26.620 327 HB3 CYS 41 3HB CYS 41 3.257 -12.118 -26.189 328 H LYS 42 HN LYS 42 6.414 -11.817 -24.073 329 HA LYS 42 HA LYS 42 7.529 -9.244 -23.418 330 HB2 LYS 42 2HB LYS 42 8.028 -11.949 -22.721 331 HB3 LYS 42 3HB LYS 42 9.469 -11.370 -23.531 332 HG2 LYS 42 2HG LYS 42 9.910 -9.751 -21.915 333 HG3 LYS 42 3HG LYS 42 8.217 -9.508 -21.534 334 HD2 LYS 42 2HD LYS 42 8.595 -12.147 -20.749 335 HD3 LYS 42 3HD LYS 42 10.155 -11.441 -20.377 336 HE2 LYS 42 2HE LYS 42 8.228 -9.537 -19.489 337 HE3 LYS 42 3HE LYS 42 7.609 -11.098 -18.988 338 HZ1 LYS 42 3HZ LYS 42 9.271 -11.351 -17.552 339 HZ2 LYS 42 1HZ LYS 42 10.415 -10.745 -18.549 340 HZ3 LYS 42 2HZ LYS 42 9.471 -9.735 -17.679 341 H LYS 43 HN LYS 43 9.468 -8.367 -24.465 342 HA LYS 43 HA LYS 43 9.177 -8.355 -27.263 343 HB2 LYS 43 2HB LYS 43 11.322 -7.251 -25.430 344 HB3 LYS 43 3HB LYS 43 11.276 -6.964 -27.158 345 HG2 LYS 43 2HG LYS 43 8.653 -6.447 -25.960 346 HG3 LYS 43 3HG LYS 43 9.894 -5.515 -25.148 347 HD2 LYS 43 2HD LYS 43 9.198 -4.126 -26.956 348 HD3 LYS 43 3HD LYS 43 10.718 -4.811 -27.493 349 HE2 LYS 43 2HE LYS 43 9.694 -5.723 -29.298 350 HE3 LYS 43 3HE LYS 43 8.642 -6.656 -28.251 351 HZ1 LYS 43 3HZ LYS 43 7.747 -4.812 -29.867 352 HZ2 LYS 43 1HZ LYS 43 7.003 -5.155 -28.454 353 HZ3 LYS 43 2HZ LYS 43 7.994 -3.861 -28.562 354 HA PRO 44 HA PRO 44 11.808 -11.560 -28.453 355 HB2 PRO 44 2HB PRO 44 12.782 -10.684 -30.852 356 HB3 PRO 44 3HB PRO 44 11.183 -11.376 -30.661 357 HG2 PRO 44 2HG PRO 44 11.945 -8.544 -31.034 358 HG3 PRO 44 3HG PRO 44 10.381 -9.299 -31.266 359 HD2 PRO 44 2HD PRO 44 11.191 -7.676 -29.044 360 HD3 PRO 44 3HD PRO 44 9.669 -8.526 -29.221 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 2.459 -3.778 1.177 2 HA2 GLY 1 1HA GLY 1 3.959 -5.859 1.207 3 HA3 GLY 1 2HA GLY 1 2.451 -6.716 0.959 4 H ILE 2 HN ILE 2 1.310 -6.539 -1.052 5 HA ILE 2 HA ILE 2 1.076 -6.237 -3.227 6 HB ILE 2 HB ILE 2 3.008 -3.934 -3.128 7 HG12 ILE 2 2HG1 ILE 2 1.479 -3.716 -1.211 8 HG13 ILE 2 3HG1 ILE 2 1.220 -2.472 -2.418 9 HG21 ILE 2 1HG2 ILE 2 1.105 -5.015 -5.053 10 HG22 ILE 2 2HG2 ILE 2 0.816 -3.294 -4.702 11 HG23 ILE 2 3HG2 ILE 2 2.415 -3.829 -5.272 12 HD11 ILE 2 3HD1 ILE 2 -0.455 -4.989 -2.008 13 HD12 ILE 2 1HD1 ILE 2 -0.954 -3.305 -1.715 14 HD13 ILE 2 2HD1 ILE 2 -0.666 -3.872 -3.377 15 H ILE 3 HN ILE 3 1.911 -8.111 -4.062 16 HA ILE 3 HA ILE 3 4.775 -8.019 -4.712 17 HB ILE 3 HB ILE 3 3.106 -10.361 -3.796 18 HG12 ILE 3 2HG1 ILE 3 5.471 -10.140 -2.302 19 HG13 ILE 3 3HG1 ILE 3 4.886 -8.495 -2.454 20 HG21 ILE 3 1HG2 ILE 3 5.222 -11.668 -4.032 21 HG22 ILE 3 2HG2 ILE 3 4.498 -11.156 -5.575 22 HG23 ILE 3 3HG2 ILE 3 5.914 -10.294 -4.926 23 HD11 ILE 3 3HD1 ILE 3 2.528 -9.610 -1.867 24 HD12 ILE 3 1HD1 ILE 3 3.563 -10.871 -1.156 25 HD13 ILE 3 2HD1 ILE 3 3.686 -9.191 -0.582 26 H ASN 4 HN ASN 4 2.410 -10.531 -5.632 27 HA ASN 4 HA ASN 4 3.093 -10.171 -8.334 28 HB2 ASN 4 2HB ASN 4 1.713 -12.117 -6.712 29 HB3 ASN 4 3HB ASN 4 0.625 -11.679 -8.014 30 HD21 ASN 4 1HD2 ASN 4 2.879 -13.814 -7.137 31 HD22 ASN 4 2HD2 ASN 4 3.559 -14.276 -8.661 32 H THR 5 HN THR 5 1.918 -9.061 -9.966 33 HA THR 5 HA THR 5 -0.684 -7.938 -9.183 34 HB THR 5 HB THR 5 1.741 -6.529 -10.406 35 HG1 THR 5 HG1 THR 5 1.398 -5.309 -8.429 36 HG21 THR 5 3HG2 THR 5 -1.151 -5.942 -10.652 37 HG22 THR 5 1HG2 THR 5 -0.249 -4.632 -9.853 38 HG23 THR 5 2HG2 THR 5 0.226 -5.176 -11.479 39 H LEU 6 HN LEU 6 1.439 -7.837 -12.116 40 HA LEU 6 HA LEU 6 -0.470 -7.901 -13.987 41 HB2 LEU 6 2HB LEU 6 1.187 -8.306 -15.434 42 HB3 LEU 6 3HB LEU 6 2.184 -8.012 -14.023 43 HG LEU 6 HG LEU 6 2.241 -10.508 -13.640 44 HD11 LEU 6 1HD1 LEU 6 1.733 -11.369 -16.300 45 HD12 LEU 6 2HD1 LEU 6 0.911 -11.851 -14.796 46 HD13 LEU 6 3HD1 LEU 6 0.303 -10.469 -15.739 47 HD21 LEU 6 3HD2 LEU 6 3.916 -10.922 -15.412 48 HD22 LEU 6 1HD2 LEU 6 3.403 -9.421 -16.219 49 HD23 LEU 6 2HD2 LEU 6 4.136 -9.353 -14.598 50 H GLN 7 HN GLN 7 -2.179 -9.161 -14.481 51 HA GLN 7 HA GLN 7 -2.023 -11.925 -13.556 52 HB2 GLN 7 2HB GLN 7 -3.869 -9.987 -12.802 53 HB3 GLN 7 3HB GLN 7 -4.727 -10.834 -14.073 54 HG2 GLN 7 2HG GLN 7 -5.282 -12.310 -12.414 55 HG3 GLN 7 3HG GLN 7 -3.684 -12.970 -12.698 56 HE21 GLN 7 1HE2 GLN 7 -4.680 -13.422 -10.318 57 HE22 GLN 7 2HE2 GLN 7 -3.963 -12.449 -9.077 58 H LYS 8 HN LYS 8 -3.949 -9.917 -15.911 59 HA LYS 8 HA LYS 8 -2.969 -10.967 -18.216 60 HB2 LYS 8 2HB LYS 8 -4.847 -12.660 -18.748 61 HB3 LYS 8 3HB LYS 8 -3.479 -13.187 -17.790 62 HG2 LYS 8 2HG LYS 8 -5.277 -12.155 -15.880 63 HG3 LYS 8 3HG LYS 8 -6.315 -12.975 -17.030 64 HD2 LYS 8 2HD LYS 8 -5.573 -15.046 -16.407 65 HD3 LYS 8 3HD LYS 8 -3.895 -14.543 -16.390 66 HE2 LYS 8 2HE LYS 8 -3.917 -14.347 -14.128 67 HE3 LYS 8 3HE LYS 8 -5.275 -13.241 -14.193 68 HZ1 LYS 8 3HZ LYS 8 -6.250 -14.950 -13.149 69 HZ2 LYS 8 1HZ LYS 8 -6.512 -15.499 -14.664 70 HZ3 LYS 8 2HZ LYS 8 -5.271 -16.093 -13.784 71 H TYR 9 HN TYR 9 -6.445 -11.045 -17.218 72 HA TYR 9 HA TYR 9 -7.507 -9.652 -19.228 73 HB2 TYR 9 2HB TYR 9 -9.268 -9.126 -17.584 74 HB3 TYR 9 3HB TYR 9 -8.556 -10.648 -17.084 75 HD1 TYR 9 HD1 TYR 9 -6.237 -10.090 -15.572 76 HD2 TYR 9 HD2 TYR 9 -9.830 -7.777 -15.793 77 HE1 TYR 9 HE1 TYR 9 -5.751 -9.103 -13.280 78 HE2 TYR 9 HE2 TYR 9 -9.331 -6.798 -13.500 79 HH TYR 9 HH TYR 9 -8.099 -7.348 -11.539 80 H TYR 10 HN TYR 10 -5.428 -8.333 -16.673 81 HA TYR 10 HA TYR 10 -5.458 -5.785 -18.089 82 HB2 TYR 10 2HB TYR 10 -6.197 -4.623 -16.161 83 HB3 TYR 10 3HB TYR 10 -7.039 -6.136 -15.894 84 HD1 TYR 10 HD1 TYR 10 -4.560 -7.786 -15.101 85 HD2 TYR 10 HD2 TYR 10 -5.974 -3.936 -13.887 86 HE1 TYR 10 HE1 TYR 10 -3.374 -8.047 -12.868 87 HE2 TYR 10 HE2 TYR 10 -4.784 -4.210 -11.657 88 HH TYR 10 HH TYR 10 -3.997 -6.752 -10.338 89 H CYS 11 HN CYS 11 -3.690 -8.327 -17.341 90 HA CYS 11 HA CYS 11 -1.682 -7.744 -15.676 91 HB2 CYS 11 2HB CYS 11 -1.357 -9.773 -16.598 92 HB3 CYS 11 3HB CYS 11 -1.908 -9.277 -18.186 93 H ARG 12 HN ARG 12 -0.063 -6.199 -15.529 94 HA ARG 12 HA ARG 12 1.265 -4.568 -16.043 95 HB2 ARG 12 2HB ARG 12 1.323 -6.033 -18.384 96 HB3 ARG 12 3HB ARG 12 0.760 -4.489 -18.992 97 HG2 ARG 12 2HG ARG 12 3.151 -4.380 -19.108 98 HG3 ARG 12 3HG ARG 12 2.710 -3.396 -17.727 99 HD2 ARG 12 2HD ARG 12 3.155 -5.373 -16.216 100 HD3 ARG 12 3HD ARG 12 3.671 -6.296 -17.613 101 HE ARG 12 HE ARG 12 5.186 -4.201 -16.257 102 HH11 ARG 12 2HH2 ARG 12 4.738 -5.864 -19.326 103 HH12 ARG 12 1HH2 ARG 12 6.334 -5.507 -19.898 104 HH21 ARG 12 2HH1 ARG 12 7.291 -3.730 -17.012 105 HH22 ARG 12 1HH1 ARG 12 7.795 -4.286 -18.573 106 H VAL 13 HN VAL 13 1.063 -2.263 -16.200 107 HA VAL 13 HA VAL 13 -1.245 -1.188 -17.569 108 HB VAL 13 HB VAL 13 -0.948 -1.292 -14.586 109 HG11 VAL 13 1HG1 VAL 13 -1.016 1.102 -15.145 110 HG12 VAL 13 2HG1 VAL 13 -2.489 0.838 -16.109 111 HG13 VAL 13 3HG1 VAL 13 -2.519 0.577 -14.349 112 HG21 VAL 13 3HG2 VAL 13 -3.115 -1.846 -16.604 113 HG22 VAL 13 1HG2 VAL 13 -2.483 -2.887 -15.306 114 HG23 VAL 13 2HG2 VAL 13 -3.526 -1.500 -14.908 115 H ARG 14 HN ARG 14 -1.169 1.265 -17.532 116 HA ARG 14 HA ARG 14 -0.124 3.139 -17.792 117 HB2 ARG 14 2HB ARG 14 0.773 2.500 -15.388 118 HB3 ARG 14 3HB ARG 14 2.290 2.184 -16.206 119 HG2 ARG 14 2HG ARG 14 0.842 4.808 -16.676 120 HG3 ARG 14 3HG ARG 14 1.809 4.594 -15.230 121 HD2 ARG 14 2HD ARG 14 3.544 3.643 -17.166 122 HD3 ARG 14 3HD ARG 14 2.684 4.874 -18.067 123 HE ARG 14 HE ARG 14 4.645 5.351 -16.033 124 HH11 ARG 14 2HH2 ARG 14 1.538 6.579 -17.137 125 HH12 ARG 14 1HH2 ARG 14 1.816 8.182 -16.543 126 HH21 ARG 14 2HH1 ARG 14 5.013 7.466 -15.248 127 HH22 ARG 14 1HH1 ARG 14 3.806 8.690 -15.461 128 H GLY 15 HN GLY 15 0.393 3.171 -19.988 129 HA2 GLY 15 1HA GLY 15 2.262 3.506 -21.455 130 HA3 GLY 15 2HA GLY 15 3.065 2.137 -20.712 131 H ALA 16 HN ALA 16 1.161 0.140 -20.615 132 HA ALA 16 HA ALA 16 -0.549 -0.198 -22.703 133 HB1 ALA 16 1HB ALA 16 0.739 -0.258 -24.549 134 HB2 ALA 16 2HB ALA 16 2.234 -0.224 -23.582 135 HB3 ALA 16 3HB ALA 16 1.429 -1.774 -23.923 136 H ILE 17 HN ILE 17 -1.728 -1.583 -21.450 137 HA ILE 17 HA ILE 17 -0.746 -3.309 -19.573 138 HB ILE 17 HB ILE 17 -2.893 -4.404 -19.676 139 HG12 ILE 17 2HG1 ILE 17 -2.773 -3.750 -22.451 140 HG13 ILE 17 3HG1 ILE 17 -3.928 -4.763 -21.607 141 HG21 ILE 17 1HG2 ILE 17 -4.277 -2.539 -19.183 142 HG22 ILE 17 2HG2 ILE 17 -2.622 -2.093 -18.705 143 HG23 ILE 17 3HG2 ILE 17 -3.312 -1.459 -20.218 144 HD11 ILE 17 3HD1 ILE 17 -5.173 -2.990 -22.691 145 HD12 ILE 17 1HD1 ILE 17 -5.188 -2.650 -20.944 146 HD13 ILE 17 2HD1 ILE 17 -4.093 -1.746 -22.017 147 H CYS 18 HN CYS 18 -0.935 -3.675 -23.109 148 HA CYS 18 HA CYS 18 0.778 -5.978 -22.871 149 HB2 CYS 18 2HB CYS 18 -0.920 -6.965 -24.754 150 HB3 CYS 18 3HB CYS 18 -0.863 -7.462 -23.075 151 H HIS 19 HN HIS 19 1.369 -6.665 -25.300 152 HA HIS 19 HA HIS 19 2.673 -4.691 -26.511 153 HB2 HIS 19 2HB HIS 19 2.852 -7.054 -27.107 154 HB3 HIS 19 3HB HIS 19 1.271 -7.014 -27.861 155 HD1 HIS 19 HD1 HIS 19 1.384 -4.566 -29.643 156 HD2 HIS 19 HD2 HIS 19 4.630 -7.182 -29.170 157 HE1 HIS 19 HE1 HIS 19 2.853 -4.263 -31.707 158 HE2 HIS 19 HE2 HIS 19 4.859 -5.855 -31.333 159 HA PRO 20 HA PRO 20 -0.312 -2.007 -28.154 160 HB2 PRO 20 2HB PRO 20 1.314 -0.419 -29.672 161 HB3 PRO 20 3HB PRO 20 1.104 -0.203 -27.946 162 HG2 PRO 20 2HG PRO 20 3.402 -1.358 -29.404 163 HG3 PRO 20 3HG PRO 20 3.338 -0.748 -27.762 164 HD2 PRO 20 2HD PRO 20 3.350 -3.500 -28.572 165 HD3 PRO 20 3HD PRO 20 3.169 -2.889 -26.940 166 H VAL 21 HN VAL 21 -1.743 -1.791 -29.832 167 HA VAL 21 HA VAL 21 -2.533 -2.104 -31.889 168 HB VAL 21 HB VAL 21 0.095 -3.259 -32.791 169 HG11 VAL 21 1HG1 VAL 21 -2.312 -2.032 -34.075 170 HG12 VAL 21 2HG1 VAL 21 -0.725 -1.768 -34.839 171 HG13 VAL 21 3HG1 VAL 21 -1.326 -3.424 -34.582 172 HG21 VAL 21 3HG2 VAL 21 0.209 -0.570 -33.450 173 HG22 VAL 21 1HG2 VAL 21 -0.411 -0.556 -31.781 174 HG23 VAL 21 2HG2 VAL 21 1.127 -1.373 -32.153 175 H PHE 22 HN PHE 22 -0.164 -4.779 -31.192 176 HA PHE 22 HA PHE 22 -2.337 -6.590 -30.757 177 HB2 PHE 22 2HB PHE 22 -2.041 -7.883 -32.739 178 HB3 PHE 22 3HB PHE 22 -1.799 -6.261 -33.359 179 HD1 PHE 22 HD1 PHE 22 1.016 -5.998 -31.992 180 HD2 PHE 22 HD2 PHE 22 -0.767 -8.910 -34.512 181 HE1 PHE 22 HE1 PHE 22 3.286 -6.659 -32.836 182 HE2 PHE 22 HE2 PHE 22 1.503 -9.570 -35.356 183 HZ PHE 22 HZ PHE 22 3.502 -8.437 -34.507 184 H CYS 23 HN CYS 23 -0.675 -8.959 -31.421 185 HA CYS 23 HA CYS 23 1.661 -8.583 -29.752 186 HB2 CYS 23 2HB CYS 23 -0.669 -9.465 -28.572 187 HB3 CYS 23 3HB CYS 23 0.142 -10.967 -28.970 188 HA PRO 24 HA PRO 24 2.946 -11.383 -32.859 189 HB2 PRO 24 2HB PRO 24 5.526 -11.758 -32.042 190 HB3 PRO 24 3HB PRO 24 5.016 -10.386 -33.005 191 HG2 PRO 24 2HG PRO 24 5.685 -10.485 -30.127 192 HG3 PRO 24 3HG PRO 24 5.591 -9.091 -31.185 193 HD2 PRO 24 2HD PRO 24 3.648 -9.901 -29.237 194 HD3 PRO 24 3HD PRO 24 3.502 -8.576 -30.374 195 H ARG 25 HN ARG 25 5.024 -13.361 -32.337 196 HA ARG 25 HA ARG 25 3.537 -15.042 -30.503 197 HB2 ARG 25 2HB ARG 25 3.955 -15.462 -33.413 198 HB3 ARG 25 3HB ARG 25 4.439 -16.842 -32.448 199 HG2 ARG 25 2HG ARG 25 2.093 -16.398 -31.227 200 HG3 ARG 25 3HG ARG 25 1.705 -15.590 -32.733 201 HD2 ARG 25 2HD ARG 25 2.940 -18.354 -32.835 202 HD3 ARG 25 3HD ARG 25 1.240 -18.201 -32.439 203 HE ARG 25 HE ARG 25 2.494 -17.630 -35.038 204 HH11 ARG 25 2HH2 ARG 25 -0.341 -17.163 -33.008 205 HH12 ARG 25 1HH2 ARG 25 -1.396 -16.820 -34.339 206 HH21 ARG 25 2HH1 ARG 25 1.104 -17.178 -36.794 207 HH22 ARG 25 1HH1 ARG 25 -0.568 -16.829 -36.507 208 H ARG 26 HN ARG 26 4.888 -16.995 -29.785 209 HA ARG 26 HA ARG 26 6.743 -17.985 -29.213 210 HB2 ARG 26 2HB ARG 26 7.591 -16.731 -31.589 211 HB3 ARG 26 3HB ARG 26 8.777 -16.204 -30.411 212 HG2 ARG 26 2HG ARG 26 7.981 -19.114 -30.899 213 HG3 ARG 26 3HG ARG 26 9.421 -18.352 -31.542 214 HD2 ARG 26 2HD ARG 26 10.445 -19.085 -29.634 215 HD3 ARG 26 3HD ARG 26 9.648 -17.737 -28.848 216 HE ARG 26 HE ARG 26 7.922 -20.083 -29.025 217 HH11 ARG 26 2HH2 ARG 26 10.497 -18.577 -27.159 218 HH12 ARG 26 1HH2 ARG 26 10.102 -19.416 -25.696 219 HH21 ARG 26 2HH1 ARG 26 7.399 -21.190 -27.095 220 HH22 ARG 26 1HH1 ARG 26 8.328 -20.912 -25.660 221 H TYR 27 HN TYR 27 6.130 -14.592 -28.918 222 HA TYR 27 HA TYR 27 8.143 -13.546 -27.460 223 HB2 TYR 27 2HB TYR 27 5.997 -12.532 -26.168 224 HB3 TYR 27 3HB TYR 27 6.248 -12.158 -27.861 225 HD1 TYR 27 HD2 TYR 27 5.201 -15.541 -26.896 226 HD2 TYR 27 HD1 TYR 27 3.859 -11.682 -28.166 227 HE1 TYR 27 HE2 TYR 27 2.917 -16.510 -27.452 228 HE2 TYR 27 HE1 TYR 27 1.580 -12.665 -28.717 229 HH TYR 27 HH TYR 27 0.546 -14.659 -29.178 230 H LYS 28 HN LYS 28 5.356 -14.124 -25.380 231 HA LYS 28 HA LYS 28 6.018 -16.320 -23.969 232 HB2 LYS 28 2HB LYS 28 7.982 -14.185 -23.476 233 HB3 LYS 28 3HB LYS 28 7.251 -14.815 -22.014 234 HG2 LYS 28 2HG LYS 28 8.200 -16.904 -22.266 235 HG3 LYS 28 3HG LYS 28 8.030 -16.892 -24.010 236 HD2 LYS 28 2HD LYS 28 10.095 -15.921 -24.349 237 HD3 LYS 28 3HD LYS 28 9.961 -14.887 -22.940 238 HE2 LYS 28 2HE LYS 28 11.169 -16.337 -21.675 239 HE3 LYS 28 3HE LYS 28 10.100 -17.666 -22.080 240 HZ1 LYS 28 3HZ LYS 28 11.990 -18.355 -23.061 241 HZ2 LYS 28 1HZ LYS 28 11.405 -17.496 -24.321 242 HZ3 LYS 28 2HZ LYS 28 12.561 -16.854 -23.363 243 H GLN 29 HN GLN 29 3.647 -15.818 -24.260 244 HA GLN 29 HA GLN 29 2.229 -13.841 -23.333 245 HB2 GLN 29 2HB GLN 29 1.219 -15.893 -24.199 246 HB3 GLN 29 3HB GLN 29 1.716 -16.795 -22.781 247 HG2 GLN 29 2HG GLN 29 0.205 -14.423 -21.983 248 HG3 GLN 29 3HG GLN 29 -0.714 -15.359 -23.146 249 HE21 GLN 29 1HE2 GLN 29 -2.143 -15.678 -21.319 250 HE22 GLN 29 2HE2 GLN 29 -1.854 -16.969 -20.201 251 H ILE 30 HN ILE 30 2.076 -12.622 -21.500 252 HA ILE 30 HA ILE 30 2.979 -13.891 -19.008 253 HB ILE 30 HB ILE 30 3.240 -11.054 -19.993 254 HG12 ILE 30 2HG1 ILE 30 5.024 -12.263 -20.867 255 HG13 ILE 30 3HG1 ILE 30 5.686 -11.579 -19.396 256 HG21 ILE 30 1HG2 ILE 30 3.318 -12.156 -17.220 257 HG22 ILE 30 2HG2 ILE 30 4.501 -10.905 -17.668 258 HG23 ILE 30 3HG2 ILE 30 2.758 -10.575 -17.814 259 HD11 ILE 30 3HD1 ILE 30 4.892 -14.435 -19.972 260 HD12 ILE 30 1HD1 ILE 30 6.371 -13.808 -19.204 261 HD13 ILE 30 2HD1 ILE 30 4.842 -13.846 -18.293 262 H GLY 31 HN GLY 31 0.513 -11.957 -20.700 263 HA2 GLY 31 1HA GLY 31 -1.540 -12.760 -18.963 264 HA3 GLY 31 2HA GLY 31 -0.999 -11.166 -18.474 265 H THR 32 HN THR 32 -2.872 -12.994 -20.754 266 HA THR 32 HA THR 32 -2.924 -11.091 -22.859 267 HB THR 32 HB THR 32 -4.974 -12.514 -23.489 268 HG1 THR 32 HG1 THR 32 -5.596 -13.141 -21.350 269 HG21 THR 32 3HG2 THR 32 -2.217 -13.590 -22.948 270 HG22 THR 32 1HG2 THR 32 -3.502 -14.792 -23.220 271 HG23 THR 32 2HG2 THR 32 -3.143 -13.575 -24.468 272 H CYS 33 HN CYS 33 -4.076 -9.271 -23.172 273 HA CYS 33 HA CYS 33 -6.229 -8.767 -21.259 274 HB2 CYS 33 2HB CYS 33 -5.231 -6.259 -21.750 275 HB3 CYS 33 3HB CYS 33 -5.001 -7.199 -20.290 276 H GLY 34 HN GLY 34 -7.261 -6.438 -22.244 277 HA2 GLY 34 1HA GLY 34 -8.739 -5.814 -23.846 278 HA3 GLY 34 2HA GLY 34 -7.295 -5.755 -24.837 279 H LEU 35 HN LEU 35 -7.376 -6.908 -26.711 280 HA LEU 35 HA LEU 35 -9.417 -8.966 -26.923 281 HB2 LEU 35 2HB LEU 35 -8.272 -6.999 -28.654 282 HB3 LEU 35 3HB LEU 35 -7.994 -8.583 -29.350 283 HG LEU 35 HG LEU 35 -10.630 -8.786 -28.653 284 HD11 LEU 35 1HD1 LEU 35 -10.940 -6.218 -29.943 285 HD12 LEU 35 2HD1 LEU 35 -11.682 -6.842 -28.451 286 HD13 LEU 35 3HD1 LEU 35 -10.091 -6.047 -28.388 287 HD21 LEU 35 3HD2 LEU 35 -10.490 -9.461 -30.766 288 HD22 LEU 35 1HD2 LEU 35 -10.700 -7.758 -31.243 289 HD23 LEU 35 2HD2 LEU 35 -9.065 -8.440 -31.075 290 HA PRO 36 HA PRO 36 -6.622 -12.263 -27.088 291 HB2 PRO 36 2HB PRO 36 -7.316 -13.769 -29.261 292 HB3 PRO 36 3HB PRO 36 -8.207 -13.795 -27.752 293 HG2 PRO 36 2HG PRO 36 -8.932 -12.504 -30.311 294 HG3 PRO 36 3HG PRO 36 -9.964 -12.905 -28.953 295 HD2 PRO 36 2HD PRO 36 -8.964 -10.306 -29.638 296 HD3 PRO 36 3HD PRO 36 -9.899 -10.728 -28.217 297 H GLY 37 HN GLY 37 -6.283 -9.849 -29.204 298 HA2 GLY 37 1HA GLY 37 -3.957 -11.099 -30.522 299 HA3 GLY 37 2HA GLY 37 -4.843 -9.699 -31.094 300 H THR 38 HN THR 38 -4.731 -9.321 -27.771 301 HA THR 38 HA THR 38 -2.095 -8.022 -27.830 302 HB THR 38 HB THR 38 -4.520 -6.734 -26.525 303 HG1 THR 38 HG1 THR 38 -4.530 -5.592 -28.732 304 HG21 THR 38 3HG2 THR 38 -2.428 -5.238 -28.069 305 HG22 THR 38 1HG2 THR 38 -3.221 -4.808 -26.535 306 HG23 THR 38 2HG2 THR 38 -1.885 -5.983 -26.547 307 H LYS 39 HN LYS 39 -0.905 -9.208 -26.458 308 HA LYS 39 HA LYS 39 -2.055 -9.599 -23.797 309 HB2 LYS 39 2HB LYS 39 -0.858 -11.864 -23.800 310 HB3 LYS 39 3HB LYS 39 -2.376 -11.740 -24.667 311 HG2 LYS 39 2HG LYS 39 -1.206 -12.675 -26.399 312 HG3 LYS 39 3HG LYS 39 -0.632 -11.041 -26.668 313 HD2 LYS 39 2HD LYS 39 1.405 -12.167 -26.549 314 HD3 LYS 39 3HD LYS 39 1.219 -11.701 -24.870 315 HE2 LYS 39 2HE LYS 39 1.852 -14.149 -25.258 316 HE3 LYS 39 3HE LYS 39 0.456 -13.894 -24.229 317 HZ1 LYS 39 3HZ LYS 39 0.372 -15.528 -26.222 318 HZ2 LYS 39 1HZ LYS 39 -0.942 -14.642 -25.826 319 HZ3 LYS 39 2HZ LYS 39 0.003 -14.187 -27.078 320 H CYS 40 HN CYS 40 -0.207 -10.205 -22.196 321 HA CYS 40 HA CYS 40 1.767 -8.181 -22.512 322 HB2 CYS 40 2HB CYS 40 1.438 -10.282 -20.359 323 HB3 CYS 40 3HB CYS 40 2.542 -8.922 -20.295 324 H CYS 41 HN CYS 41 3.042 -8.815 -24.346 325 HA CYS 41 HA CYS 41 4.520 -11.314 -23.951 326 HB2 CYS 41 2HB CYS 41 4.968 -10.895 -26.519 327 HB3 CYS 41 3HB CYS 41 3.552 -11.752 -25.943 328 H LYS 42 HN LYS 42 6.828 -11.207 -24.165 329 HA LYS 42 HA LYS 42 7.948 -8.704 -23.473 330 HB2 LYS 42 2HB LYS 42 8.896 -11.495 -23.863 331 HB3 LYS 42 3HB LYS 42 10.098 -10.235 -24.053 332 HG2 LYS 42 2HG LYS 42 9.917 -9.519 -21.829 333 HG3 LYS 42 3HG LYS 42 8.252 -10.045 -21.679 334 HD2 LYS 42 2HD LYS 42 9.006 -12.434 -21.693 335 HD3 LYS 42 3HD LYS 42 10.670 -11.907 -21.842 336 HE2 LYS 42 2HE LYS 42 9.073 -10.744 -19.572 337 HE3 LYS 42 3HE LYS 42 9.521 -12.434 -19.444 338 HZ1 LYS 42 3HZ LYS 42 11.543 -10.481 -20.204 339 HZ2 LYS 42 1HZ LYS 42 11.124 -10.630 -18.632 340 HZ3 LYS 42 2HZ LYS 42 11.730 -11.913 -19.441 341 H LYS 43 HN LYS 43 9.941 -7.831 -24.729 342 HA LYS 43 HA LYS 43 9.842 -8.228 -27.564 343 HB2 LYS 43 2HB LYS 43 9.364 -5.773 -28.005 344 HB3 LYS 43 3HB LYS 43 7.996 -6.774 -27.562 345 HG2 LYS 43 2HG LYS 43 7.941 -5.911 -25.320 346 HG3 LYS 43 3HG LYS 43 9.551 -5.231 -25.452 347 HD2 LYS 43 2HD LYS 43 8.824 -3.459 -26.881 348 HD3 LYS 43 3HD LYS 43 7.334 -4.282 -27.298 349 HE2 LYS 43 2HE LYS 43 6.245 -3.337 -25.543 350 HE3 LYS 43 3HE LYS 43 7.445 -3.934 -24.413 351 HZ1 LYS 43 3HZ LYS 43 8.396 -1.955 -24.345 352 HZ2 LYS 43 1HZ LYS 43 8.416 -1.771 -25.967 353 HZ3 LYS 43 2HZ LYS 43 7.085 -1.358 -25.115 354 HA PRO 44 HA PRO 44 13.828 -7.068 -25.819 355 HB2 PRO 44 2HB PRO 44 15.263 -9.176 -26.802 356 HB3 PRO 44 3HB PRO 44 14.550 -9.165 -25.201 357 HG2 PRO 44 2HG PRO 44 13.648 -10.603 -27.621 358 HG3 PRO 44 3HG PRO 44 13.225 -10.899 -25.947 359 HD2 PRO 44 2HD PRO 44 11.601 -9.602 -27.924 360 HD3 PRO 44 3HD PRO 44 11.227 -9.795 -26.223 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 11.386 -3.561 -5.106 2 HA2 GLY 1 1HA GLY 1 11.083 -6.502 -4.966 3 HA3 GLY 1 2HA GLY 1 9.860 -5.385 -4.395 4 H ILE 2 HN ILE 2 8.382 -6.439 -5.955 5 HA ILE 2 HA ILE 2 8.365 -4.997 -8.423 6 HB ILE 2 HB ILE 2 9.901 -7.104 -8.657 7 HG12 ILE 2 2HG1 ILE 2 9.015 -7.355 -11.043 8 HG13 ILE 2 3HG1 ILE 2 7.779 -6.192 -10.609 9 HG21 ILE 2 1HG2 ILE 2 7.222 -8.387 -9.212 10 HG22 ILE 2 2HG2 ILE 2 8.835 -9.139 -9.219 11 HG23 ILE 2 3HG2 ILE 2 8.109 -8.606 -7.684 12 HD11 ILE 2 3HD1 ILE 2 10.250 -5.512 -11.589 13 HD12 ILE 2 1HD1 ILE 2 9.249 -4.432 -10.589 14 HD13 ILE 2 2HD1 ILE 2 10.543 -5.396 -9.837 15 H ILE 3 HN ILE 3 6.267 -4.758 -9.178 16 HA ILE 3 HA ILE 3 4.214 -5.373 -7.374 17 HB ILE 3 HB ILE 3 2.784 -4.306 -8.891 18 HG12 ILE 3 2HG1 ILE 3 4.817 -4.777 -11.092 19 HG13 ILE 3 3HG1 ILE 3 3.343 -5.698 -10.867 20 HG21 ILE 3 1HG2 ILE 3 5.323 -3.198 -8.240 21 HG22 ILE 3 2HG2 ILE 3 4.877 -2.631 -9.867 22 HG23 ILE 3 3HG2 ILE 3 3.773 -2.363 -8.497 23 HD11 ILE 3 3HD1 ILE 3 1.966 -3.950 -11.549 24 HD12 ILE 3 1HD1 ILE 3 3.100 -2.699 -10.986 25 HD13 ILE 3 2HD1 ILE 3 3.424 -3.576 -12.500 26 H ASN 4 HN ASN 4 2.462 -6.868 -7.518 27 HA ASN 4 HA ASN 4 2.939 -9.012 -9.427 28 HB2 ASN 4 2HB ASN 4 3.519 -9.316 -6.773 29 HB3 ASN 4 3HB ASN 4 1.812 -9.711 -6.721 30 HD21 ASN 4 1HD2 ASN 4 4.959 -10.697 -7.625 31 HD22 ASN 4 2HD2 ASN 4 4.589 -12.261 -8.271 32 H THR 5 HN THR 5 1.124 -6.841 -9.788 33 HA THR 5 HA THR 5 -1.480 -8.059 -9.143 34 HB THR 5 HB THR 5 -0.859 -5.133 -9.782 35 HG1 THR 5 HG1 THR 5 -0.157 -5.110 -7.684 36 HG21 THR 5 3HG2 THR 5 -3.307 -6.318 -9.703 37 HG22 THR 5 1HG2 THR 5 -3.058 -6.081 -7.957 38 HG23 THR 5 2HG2 THR 5 -3.031 -4.682 -9.057 39 H LEU 6 HN LEU 6 -1.402 -9.513 -10.933 40 HA LEU 6 HA LEU 6 -2.539 -8.394 -13.251 41 HB2 LEU 6 2HB LEU 6 -0.877 -8.574 -14.849 42 HB3 LEU 6 3HB LEU 6 -0.099 -7.763 -13.504 43 HG LEU 6 HG LEU 6 1.471 -9.311 -14.337 44 HD11 LEU 6 1HD1 LEU 6 0.788 -9.317 -11.749 45 HD12 LEU 6 2HD1 LEU 6 0.490 -11.032 -12.119 46 HD13 LEU 6 3HD1 LEU 6 2.098 -10.326 -12.408 47 HD21 LEU 6 3HD2 LEU 6 1.001 -11.230 -15.369 48 HD22 LEU 6 1HD2 LEU 6 0.018 -11.823 -14.008 49 HD23 LEU 6 2HD2 LEU 6 -0.710 -10.757 -15.234 50 H GLN 7 HN GLN 7 -3.559 -10.004 -14.488 51 HA GLN 7 HA GLN 7 -2.955 -12.727 -13.679 52 HB2 GLN 7 2HB GLN 7 -5.762 -11.539 -13.830 53 HB3 GLN 7 3HB GLN 7 -5.398 -13.230 -13.545 54 HG2 GLN 7 2HG GLN 7 -3.889 -11.522 -11.701 55 HG3 GLN 7 3HG GLN 7 -5.604 -11.178 -11.598 56 HE21 GLN 7 1HE2 GLN 7 -5.813 -12.062 -9.576 57 HE22 GLN 7 2HE2 GLN 7 -5.772 -13.764 -9.258 58 H LYS 8 HN LYS 8 -4.885 -10.600 -15.903 59 HA LYS 8 HA LYS 8 -3.756 -11.390 -18.228 60 HB2 LYS 8 2HB LYS 8 -5.706 -13.023 -18.986 61 HB3 LYS 8 3HB LYS 8 -4.228 -13.614 -18.254 62 HG2 LYS 8 2HG LYS 8 -5.361 -14.440 -16.470 63 HG3 LYS 8 3HG LYS 8 -6.104 -12.885 -16.154 64 HD2 LYS 8 2HD LYS 8 -7.463 -13.781 -18.439 65 HD3 LYS 8 3HD LYS 8 -7.223 -15.253 -17.519 66 HE2 LYS 8 2HE LYS 8 -8.064 -13.013 -15.796 67 HE3 LYS 8 3HE LYS 8 -9.221 -13.320 -17.076 68 HZ1 LYS 8 3HZ LYS 8 -9.560 -14.653 -15.061 69 HZ2 LYS 8 1HZ LYS 8 -9.375 -15.568 -16.401 70 HZ3 LYS 8 2HZ LYS 8 -8.147 -15.425 -15.334 71 H TYR 9 HN TYR 9 -7.295 -11.715 -17.638 72 HA TYR 9 HA TYR 9 -8.164 -10.023 -19.525 73 HB2 TYR 9 2HB TYR 9 -10.172 -9.921 -18.110 74 HB3 TYR 9 3HB TYR 9 -9.414 -11.463 -17.765 75 HD1 TYR 9 HD1 TYR 9 -7.284 -10.840 -15.891 76 HD2 TYR 9 HD2 TYR 9 -11.205 -9.152 -16.178 77 HE1 TYR 9 HE1 TYR 9 -7.218 -10.247 -13.420 78 HE2 TYR 9 HE2 TYR 9 -11.125 -8.564 -13.705 79 HH TYR 9 HH TYR 9 -9.424 -9.852 -11.604 80 H TYR 10 HN TYR 10 -6.462 -9.134 -16.567 81 HA TYR 10 HA TYR 10 -6.572 -6.353 -17.436 82 HB2 TYR 10 2HB TYR 10 -7.510 -5.655 -15.364 83 HB3 TYR 10 3HB TYR 10 -8.307 -7.206 -15.535 84 HD1 TYR 10 HD1 TYR 10 -5.806 -8.919 -14.894 85 HD2 TYR 10 HD2 TYR 10 -7.574 -5.528 -12.974 86 HE1 TYR 10 HE1 TYR 10 -4.830 -9.661 -12.668 87 HE2 TYR 10 HE2 TYR 10 -6.591 -6.282 -10.754 88 HH TYR 10 HH TYR 10 -4.438 -9.083 -10.595 89 H CYS 11 HN CYS 11 -4.640 -8.806 -17.194 90 HA CYS 11 HA CYS 11 -2.821 -8.400 -15.199 91 HB2 CYS 11 2HB CYS 11 -2.378 -10.302 -16.348 92 HB3 CYS 11 3HB CYS 11 -2.756 -9.598 -17.908 93 H ARG 12 HN ARG 12 -2.351 -6.222 -14.699 94 HA ARG 12 HA ARG 12 -1.575 -4.506 -16.860 95 HB2 ARG 12 2HB ARG 12 -2.028 -4.114 -13.875 96 HB3 ARG 12 3HB ARG 12 -1.273 -2.854 -14.832 97 HG2 ARG 12 2HG ARG 12 -3.212 -2.499 -16.148 98 HG3 ARG 12 3HG ARG 12 -3.866 -4.086 -15.797 99 HD2 ARG 12 2HD ARG 12 -4.724 -3.438 -13.725 100 HD3 ARG 12 3HD ARG 12 -3.468 -2.248 -13.450 101 HE ARG 12 HE ARG 12 -6.022 -1.755 -14.677 102 HH11 ARG 12 2HH2 ARG 12 -2.636 -0.837 -14.948 103 HH12 ARG 12 1HH2 ARG 12 -2.979 0.712 -15.644 104 HH21 ARG 12 2HH1 ARG 12 -6.476 0.288 -15.594 105 HH22 ARG 12 1HH1 ARG 12 -5.178 1.356 -16.014 106 H VAL 13 HN VAL 13 0.423 -2.909 -16.031 107 HA VAL 13 HA VAL 13 2.460 -4.079 -14.528 108 HB VAL 13 HB VAL 13 2.250 -5.559 -16.688 109 HG11 VAL 13 1HG1 VAL 13 3.766 -4.799 -18.491 110 HG12 VAL 13 2HG1 VAL 13 2.344 -3.744 -18.311 111 HG13 VAL 13 3HG1 VAL 13 3.924 -3.225 -17.676 112 HG21 VAL 13 3HG2 VAL 13 4.080 -5.379 -14.782 113 HG22 VAL 13 1HG2 VAL 13 4.370 -6.340 -16.253 114 HG23 VAL 13 2HG2 VAL 13 5.064 -4.707 -16.105 115 H ARG 14 HN ARG 14 1.511 -2.010 -17.312 116 HA ARG 14 HA ARG 14 2.408 0.269 -16.048 117 HB2 ARG 14 2HB ARG 14 4.538 -1.157 -17.283 118 HB3 ARG 14 3HB ARG 14 4.178 0.157 -18.385 119 HG2 ARG 14 2HG ARG 14 4.281 0.889 -15.483 120 HG3 ARG 14 3HG ARG 14 5.807 0.414 -16.200 121 HD2 ARG 14 2HD ARG 14 5.414 2.094 -18.055 122 HD3 ARG 14 3HD ARG 14 3.950 2.609 -17.241 123 HE ARG 14 HE ARG 14 5.253 3.788 -15.697 124 HH11 ARG 14 2HH2 ARG 14 7.281 1.430 -17.343 125 HH12 ARG 14 1HH2 ARG 14 8.751 2.010 -16.635 126 HH21 ARG 14 2HH1 ARG 14 7.193 4.554 -14.763 127 HH22 ARG 14 1HH1 ARG 14 8.701 3.799 -15.158 128 H GLY 15 HN GLY 15 0.548 1.309 -16.792 129 HA2 GLY 15 1HA GLY 15 -0.881 2.299 -18.214 130 HA3 GLY 15 2HA GLY 15 0.443 2.378 -19.359 131 H ALA 16 HN ALA 16 -0.657 1.827 -21.257 132 HA ALA 16 HA ALA 16 -2.658 0.032 -21.578 133 HB1 ALA 16 1HB ALA 16 -0.746 1.436 -23.209 134 HB2 ALA 16 2HB ALA 16 -0.914 -0.226 -23.824 135 HB3 ALA 16 3HB ALA 16 -2.350 0.812 -23.661 136 H ILE 17 HN ILE 17 -2.745 -1.966 -20.639 137 HA ILE 17 HA ILE 17 -0.428 -3.538 -20.254 138 HB ILE 17 HB ILE 17 -1.785 -4.966 -19.117 139 HG12 ILE 17 2HG1 ILE 17 -3.638 -4.563 -21.372 140 HG13 ILE 17 3HG1 ILE 17 -3.257 -6.013 -20.465 141 HG21 ILE 17 1HG2 ILE 17 -3.705 -2.649 -19.086 142 HG22 ILE 17 2HG2 ILE 17 -3.172 -3.698 -17.750 143 HG23 ILE 17 3HG2 ILE 17 -2.058 -2.487 -18.430 144 HD11 ILE 17 3HD1 ILE 17 -5.224 -3.814 -19.751 145 HD12 ILE 17 1HD1 ILE 17 -5.518 -5.563 -19.899 146 HD13 ILE 17 2HD1 ILE 17 -4.601 -4.929 -18.511 147 H CYS 18 HN CYS 18 -0.018 -5.693 -21.202 148 HA CYS 18 HA CYS 18 0.340 -7.011 -22.918 149 HB2 CYS 18 2HB CYS 18 -2.311 -6.133 -24.070 150 HB3 CYS 18 3HB CYS 18 -1.444 -7.623 -24.390 151 H HIS 19 HN HIS 19 1.142 -6.965 -25.167 152 HA HIS 19 HA HIS 19 2.347 -4.630 -25.875 153 HB2 HIS 19 2HB HIS 19 2.981 -6.853 -26.691 154 HB3 HIS 19 3HB HIS 19 1.521 -6.939 -27.657 155 HD1 HIS 19 HD1 HIS 19 1.486 -4.233 -29.068 156 HD2 HIS 19 HD2 HIS 19 4.978 -6.490 -28.516 157 HE1 HIS 19 HE1 HIS 19 3.129 -3.457 -30.859 158 HE2 HIS 19 HE2 HIS 19 5.274 -4.841 -30.435 159 HA PRO 20 HA PRO 20 -0.849 -2.259 -27.599 160 HB2 PRO 20 2HB PRO 20 0.641 -0.260 -28.720 161 HB3 PRO 20 3HB PRO 20 0.210 -0.297 -27.022 162 HG2 PRO 20 2HG PRO 20 2.816 -0.889 -28.286 163 HG3 PRO 20 3HG PRO 20 2.470 -0.507 -26.611 164 HD2 PRO 20 2HD PRO 20 3.037 -3.100 -27.698 165 HD3 PRO 20 3HD PRO 20 2.577 -2.733 -26.048 166 H VAL 21 HN VAL 21 -2.121 -2.138 -29.394 167 HA VAL 21 HA VAL 21 -2.601 -2.270 -31.571 168 HB VAL 21 HB VAL 21 0.244 -2.947 -32.260 169 HG11 VAL 21 1HG1 VAL 21 -2.125 -1.736 -33.665 170 HG12 VAL 21 2HG1 VAL 21 -0.475 -1.375 -34.226 171 HG13 VAL 21 3HG1 VAL 21 -1.052 -3.059 -34.181 172 HG21 VAL 21 3HG2 VAL 21 0.045 -0.190 -32.558 173 HG22 VAL 21 1HG2 VAL 21 -0.707 -0.499 -30.974 174 HG23 VAL 21 2HG2 VAL 21 0.954 -1.054 -31.294 175 H PHE 22 HN PHE 22 -0.029 -4.654 -30.619 176 HA PHE 22 HA PHE 22 -1.896 -6.782 -30.708 177 HB2 PHE 22 2HB PHE 22 -1.195 -7.815 -32.745 178 HB3 PHE 22 3HB PHE 22 -1.169 -6.120 -33.190 179 HD1 PHE 22 HD1 PHE 22 1.420 -5.560 -31.505 180 HD2 PHE 22 HD2 PHE 22 0.396 -8.442 -34.446 181 HE1 PHE 22 HE1 PHE 22 3.838 -5.765 -32.146 182 HE2 PHE 22 HE2 PHE 22 2.814 -8.647 -35.087 183 HZ PHE 22 HZ PHE 22 4.506 -7.306 -33.929 184 H CYS 23 HN CYS 23 -0.415 -9.001 -30.784 185 HA CYS 23 HA CYS 23 1.799 -8.427 -28.950 186 HB2 CYS 23 2HB CYS 23 -0.311 -9.559 -28.022 187 HB3 CYS 23 3HB CYS 23 0.182 -10.970 -28.937 188 HA PRO 24 HA PRO 24 4.096 -10.491 -32.049 189 HB2 PRO 24 2HB PRO 24 6.507 -10.626 -30.770 190 HB3 PRO 24 3HB PRO 24 5.957 -9.202 -31.630 191 HG2 PRO 24 2HG PRO 24 6.090 -9.669 -28.714 192 HG3 PRO 24 3HG PRO 24 5.958 -8.150 -29.577 193 HD2 PRO 24 2HD PRO 24 3.855 -9.529 -28.198 194 HD3 PRO 24 3HD PRO 24 3.699 -8.072 -29.158 195 H ARG 25 HN ARG 25 6.348 -12.215 -31.369 196 HA ARG 25 HA ARG 25 4.832 -14.371 -30.154 197 HB2 ARG 25 2HB ARG 25 5.973 -14.237 -32.897 198 HB3 ARG 25 3HB ARG 25 6.442 -15.681 -32.022 199 HG2 ARG 25 2HG ARG 25 4.255 -16.487 -31.882 200 HG3 ARG 25 3HG ARG 25 3.544 -14.886 -31.879 201 HD2 ARG 25 2HD ARG 25 4.914 -15.249 -34.402 202 HD3 ARG 25 3HD ARG 25 3.917 -16.662 -34.119 203 HE ARG 25 HE ARG 25 2.356 -14.365 -33.476 204 HH11 ARG 25 2HH2 ARG 25 3.820 -15.885 -36.291 205 HH12 ARG 25 1HH2 ARG 25 2.645 -15.260 -37.399 206 HH21 ARG 25 2HH1 ARG 25 0.805 -13.540 -34.937 207 HH22 ARG 25 1HH1 ARG 25 0.918 -13.917 -36.624 208 H ARG 26 HN ARG 26 6.304 -16.178 -29.344 209 HA ARG 26 HA ARG 26 8.083 -16.949 -28.371 210 HB2 ARG 26 2HB ARG 26 9.239 -15.354 -30.438 211 HB3 ARG 26 3HB ARG 26 10.138 -14.957 -28.987 212 HG2 ARG 26 2HG ARG 26 11.337 -16.849 -29.413 213 HG3 ARG 26 3HG ARG 26 9.954 -17.715 -28.774 214 HD2 ARG 26 2HD ARG 26 9.391 -17.052 -31.533 215 HD3 ARG 26 3HD ARG 26 10.993 -17.760 -31.463 216 HE ARG 26 HE ARG 26 8.469 -19.125 -30.948 217 HH11 ARG 26 2HH2 ARG 26 11.909 -19.137 -30.206 218 HH12 ARG 26 1HH2 ARG 26 11.951 -20.825 -29.823 219 HH21 ARG 26 2HH1 ARG 26 8.524 -21.353 -30.442 220 HH22 ARG 26 1HH1 ARG 26 10.013 -22.094 -29.958 221 H TYR 27 HN TYR 27 6.838 -13.806 -27.972 222 HA TYR 27 HA TYR 27 8.409 -12.550 -26.141 223 HB2 TYR 27 2HB TYR 27 5.939 -11.970 -25.223 224 HB3 TYR 27 3HB TYR 27 6.409 -11.444 -26.828 225 HD1 TYR 27 HD2 TYR 27 5.762 -15.004 -26.176 226 HD2 TYR 27 HD1 TYR 27 4.078 -11.324 -27.563 227 HE1 TYR 27 HE2 TYR 27 3.794 -16.270 -27.170 228 HE2 TYR 27 HE1 TYR 27 2.116 -12.603 -28.553 229 HH TYR 27 HH TYR 27 1.017 -14.586 -28.428 230 H LYS 28 HN LYS 28 5.446 -13.644 -24.609 231 HA LYS 28 HA LYS 28 6.042 -15.840 -23.242 232 HB2 LYS 28 2HB LYS 28 7.872 -13.705 -22.382 233 HB3 LYS 28 3HB LYS 28 7.002 -14.453 -21.058 234 HG2 LYS 28 2HG LYS 28 8.035 -16.497 -21.344 235 HG3 LYS 28 3HG LYS 28 8.059 -16.364 -23.091 236 HD2 LYS 28 2HD LYS 28 10.230 -15.723 -23.021 237 HD3 LYS 28 3HD LYS 28 9.788 -14.306 -22.089 238 HE2 LYS 28 2HE LYS 28 11.016 -15.215 -20.399 239 HE3 LYS 28 3HE LYS 28 9.673 -16.316 -20.165 240 HZ1 LYS 28 3HZ LYS 28 11.347 -17.766 -20.518 241 HZ2 LYS 28 1HZ LYS 28 10.885 -17.581 -22.074 242 HZ3 LYS 28 2HZ LYS 28 12.193 -16.782 -21.509 243 H GLN 29 HN GLN 29 3.771 -15.864 -23.304 244 HA GLN 29 HA GLN 29 2.084 -13.900 -22.642 245 HB2 GLN 29 2HB GLN 29 1.561 -16.266 -23.458 246 HB3 GLN 29 3HB GLN 29 1.674 -16.797 -21.792 247 HG2 GLN 29 2HG GLN 29 -0.286 -15.710 -21.155 248 HG3 GLN 29 3HG GLN 29 -0.085 -14.421 -22.324 249 HE21 GLN 29 1HE2 GLN 29 -2.003 -16.865 -21.531 250 HE22 GLN 29 2HE2 GLN 29 -2.619 -17.373 -23.069 251 H ILE 30 HN ILE 30 1.503 -12.756 -20.827 252 HA ILE 30 HA ILE 30 2.238 -13.912 -18.240 253 HB ILE 30 HB ILE 30 2.933 -11.173 -19.285 254 HG12 ILE 30 2HG1 ILE 30 4.954 -12.661 -17.799 255 HG13 ILE 30 3HG1 ILE 30 4.368 -13.568 -19.179 256 HG21 ILE 30 1HG2 ILE 30 3.839 -10.910 -16.856 257 HG22 ILE 30 2HG2 ILE 30 2.124 -10.581 -17.203 258 HG23 ILE 30 3HG2 ILE 30 2.600 -12.125 -16.456 259 HD11 ILE 30 3HD1 ILE 30 5.654 -10.819 -19.144 260 HD12 ILE 30 1HD1 ILE 30 6.130 -12.259 -20.076 261 HD13 ILE 30 2HD1 ILE 30 4.668 -11.350 -20.527 262 H GLY 31 HN GLY 31 -0.205 -13.161 -20.214 263 HA2 GLY 31 1HA GLY 31 -2.324 -13.266 -18.759 264 HA3 GLY 31 2HA GLY 31 -1.790 -11.687 -18.217 265 H THR 32 HN THR 32 -3.543 -13.417 -20.615 266 HA THR 32 HA THR 32 -3.247 -11.480 -22.716 267 HB THR 32 HB THR 32 -5.024 -12.927 -23.766 268 HG1 THR 32 HG1 THR 32 -4.759 -14.628 -21.456 269 HG21 THR 32 3HG2 THR 32 -3.794 -15.241 -23.230 270 HG22 THR 32 1HG2 THR 32 -2.959 -13.991 -24.182 271 HG23 THR 32 2HG2 THR 32 -2.598 -14.179 -22.449 272 H CYS 33 HN CYS 33 -4.494 -9.747 -23.229 273 HA CYS 33 HA CYS 33 -6.823 -9.317 -21.511 274 HB2 CYS 33 2HB CYS 33 -6.288 -7.034 -21.177 275 HB3 CYS 33 3HB CYS 33 -4.890 -7.983 -20.711 276 H GLY 34 HN GLY 34 -8.440 -7.825 -22.561 277 HA2 GLY 34 1HA GLY 34 -9.726 -7.246 -24.310 278 HA3 GLY 34 2HA GLY 34 -8.240 -6.843 -25.147 279 H LEU 35 HN LEU 35 -7.556 -8.106 -26.861 280 HA LEU 35 HA LEU 35 -9.181 -10.490 -27.374 281 HB2 LEU 35 2HB LEU 35 -8.303 -8.266 -28.982 282 HB3 LEU 35 3HB LEU 35 -7.705 -9.767 -29.662 283 HG LEU 35 HG LEU 35 -10.351 -10.366 -29.096 284 HD11 LEU 35 1HD1 LEU 35 -11.515 -8.418 -30.340 285 HD12 LEU 35 2HD1 LEU 35 -11.137 -8.235 -28.610 286 HD13 LEU 35 3HD1 LEU 35 -10.102 -7.460 -29.834 287 HD21 LEU 35 3HD2 LEU 35 -8.643 -9.989 -31.414 288 HD22 LEU 35 1HD2 LEU 35 -9.944 -11.170 -31.128 289 HD23 LEU 35 2HD2 LEU 35 -10.333 -9.553 -31.762 290 HA PRO 36 HA PRO 36 -5.686 -13.031 -27.250 291 HB2 PRO 36 2HB PRO 36 -5.840 -14.648 -29.448 292 HB3 PRO 36 3HB PRO 36 -6.814 -14.889 -28.011 293 HG2 PRO 36 2HG PRO 36 -7.622 -13.792 -30.634 294 HG3 PRO 36 3HG PRO 36 -8.632 -14.430 -29.352 295 HD2 PRO 36 2HD PRO 36 -8.218 -11.666 -29.996 296 HD3 PRO 36 3HD PRO 36 -9.134 -12.301 -28.645 297 H GLY 37 HN GLY 37 -5.757 -10.594 -29.363 298 HA2 GLY 37 1HA GLY 37 -3.143 -11.269 -30.541 299 HA3 GLY 37 2HA GLY 37 -4.263 -10.048 -31.111 300 H THR 38 HN THR 38 -4.362 -9.855 -27.758 301 HA THR 38 HA THR 38 -1.995 -8.158 -27.536 302 HB THR 38 HB THR 38 -4.687 -7.110 -26.609 303 HG1 THR 38 HG1 THR 38 -4.899 -6.265 -28.787 304 HG21 THR 38 3HG2 THR 38 -2.202 -6.052 -26.335 305 HG22 THR 38 1HG2 THR 38 -2.553 -5.491 -27.988 306 HG23 THR 38 2HG2 THR 38 -3.626 -5.029 -26.645 307 H LYS 39 HN LYS 39 -1.070 -9.724 -26.185 308 HA LYS 39 HA LYS 39 -2.467 -9.966 -23.611 309 HB2 LYS 39 2HB LYS 39 -1.502 -12.187 -23.365 310 HB3 LYS 39 3HB LYS 39 -2.487 -12.097 -24.811 311 HG2 LYS 39 2HG LYS 39 -0.496 -13.228 -25.495 312 HG3 LYS 39 3HG LYS 39 -0.323 -11.599 -26.116 313 HD2 LYS 39 2HD LYS 39 1.324 -11.016 -24.550 314 HD3 LYS 39 3HD LYS 39 0.754 -12.166 -23.357 315 HE2 LYS 39 2HE LYS 39 2.345 -12.763 -25.888 316 HE3 LYS 39 3HE LYS 39 2.848 -13.022 -24.229 317 HZ1 LYS 39 3HZ LYS 39 0.779 -14.519 -24.167 318 HZ2 LYS 39 1HZ LYS 39 0.916 -14.532 -25.794 319 HZ3 LYS 39 2HZ LYS 39 2.145 -15.077 -24.867 320 H CYS 40 HN CYS 40 -0.713 -10.627 -21.836 321 HA CYS 40 HA CYS 40 1.083 -8.431 -21.796 322 HB2 CYS 40 2HB CYS 40 0.561 -10.725 -19.909 323 HB3 CYS 40 3HB CYS 40 1.827 -9.549 -19.620 324 H CYS 41 HN CYS 41 2.558 -8.751 -23.558 325 HA CYS 41 HA CYS 41 4.196 -11.167 -23.335 326 HB2 CYS 41 2HB CYS 41 4.862 -10.085 -25.748 327 HB3 CYS 41 3HB CYS 41 3.712 -11.382 -25.490 328 H LYS 42 HN LYS 42 6.554 -10.867 -23.519 329 HA LYS 42 HA LYS 42 7.450 -8.606 -22.098 330 HB2 LYS 42 2HB LYS 42 8.402 -11.155 -22.681 331 HB3 LYS 42 3HB LYS 42 9.512 -10.103 -23.536 332 HG2 LYS 42 2HG LYS 42 10.452 -10.274 -21.360 333 HG3 LYS 42 3HG LYS 42 9.650 -8.716 -21.349 334 HD2 LYS 42 2HD LYS 42 8.426 -9.380 -19.563 335 HD3 LYS 42 3HD LYS 42 7.665 -10.603 -20.559 336 HE2 LYS 42 2HE LYS 42 9.344 -12.258 -19.977 337 HE3 LYS 42 3HE LYS 42 10.379 -11.049 -19.244 338 HZ1 LYS 42 3HZ LYS 42 8.735 -10.707 -17.557 339 HZ2 LYS 42 1HZ LYS 42 7.701 -11.755 -18.263 340 HZ3 LYS 42 2HZ LYS 42 9.103 -12.297 -17.624 341 H LYS 43 HN LYS 43 9.636 -7.514 -23.144 342 HA LYS 43 HA LYS 43 8.654 -6.351 -25.654 343 HB2 LYS 43 2HB LYS 43 10.004 -5.210 -23.246 344 HB3 LYS 43 3HB LYS 43 10.395 -4.509 -24.803 345 HG2 LYS 43 2HG LYS 43 8.502 -3.267 -24.529 346 HG3 LYS 43 3HG LYS 43 7.637 -4.722 -24.983 347 HD2 LYS 43 2HD LYS 43 8.328 -4.890 -22.169 348 HD3 LYS 43 3HD LYS 43 7.566 -3.341 -22.469 349 HE2 LYS 43 2HE LYS 43 5.540 -4.304 -23.162 350 HE3 LYS 43 3HE LYS 43 6.302 -5.786 -23.704 351 HZ1 LYS 43 3HZ LYS 43 6.782 -6.207 -21.307 352 HZ2 LYS 43 1HZ LYS 43 5.786 -4.966 -20.939 353 HZ3 LYS 43 2HZ LYS 43 5.204 -6.275 -21.722 354 HA PRO 44 HA PRO 44 12.225 -7.737 -27.638 355 HB2 PRO 44 2HB PRO 44 12.687 -5.802 -29.512 356 HB3 PRO 44 3HB PRO 44 11.466 -7.045 -29.699 357 HG2 PRO 44 2HG PRO 44 11.113 -4.187 -29.031 358 HG3 PRO 44 3HG PRO 44 9.927 -5.329 -29.632 359 HD2 PRO 44 2HD PRO 44 10.194 -4.392 -26.934 360 HD3 PRO 44 3HD PRO 44 9.085 -5.619 -27.513 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 0.173 -9.211 1.817 2 HA2 GLY 1 1HA GLY 1 2.475 -9.914 0.139 3 HA3 GLY 1 2HA GLY 1 0.783 -10.216 -0.202 4 H ILE 2 HN ILE 2 0.515 -9.170 -2.172 5 HA ILE 2 HA ILE 2 0.505 -6.296 -2.057 6 HB ILE 2 HB ILE 2 1.894 -6.090 -4.122 7 HG12 ILE 2 2HG1 ILE 2 2.630 -8.953 -3.454 8 HG13 ILE 2 3HG1 ILE 2 1.844 -8.379 -4.912 9 HG21 ILE 2 1HG2 ILE 2 3.539 -7.181 -1.846 10 HG22 ILE 2 2HG2 ILE 2 3.888 -5.820 -2.938 11 HG23 ILE 2 3HG2 ILE 2 2.625 -5.662 -1.693 12 HD11 ILE 2 3HD1 ILE 2 4.703 -7.906 -4.006 13 HD12 ILE 2 1HD1 ILE 2 4.121 -8.591 -5.543 14 HD13 ILE 2 2HD1 ILE 2 3.938 -6.851 -5.219 15 H ILE 3 HN ILE 3 -1.209 -5.532 -3.214 16 HA ILE 3 HA ILE 3 -2.495 -7.480 -4.995 17 HB ILE 3 HB ILE 3 -4.585 -6.432 -4.464 18 HG12 ILE 3 2HG1 ILE 3 -3.903 -4.725 -2.272 19 HG13 ILE 3 3HG1 ILE 3 -2.955 -4.227 -3.659 20 HG21 ILE 3 1HG2 ILE 3 -3.767 -6.647 -1.694 21 HG22 ILE 3 2HG2 ILE 3 -4.797 -7.723 -2.669 22 HG23 ILE 3 3HG2 ILE 3 -3.029 -7.928 -2.686 23 HD11 ILE 3 3HD1 ILE 3 -5.235 -4.471 -4.981 24 HD12 ILE 3 1HD1 ILE 3 -5.961 -4.345 -3.361 25 HD13 ILE 3 2HD1 ILE 3 -4.943 -3.025 -3.986 26 H ASN 4 HN ASN 4 -0.219 -5.622 -5.612 27 HA ASN 4 HA ASN 4 -1.617 -4.191 -7.722 28 HB2 ASN 4 2HB ASN 4 0.806 -3.146 -6.165 29 HB3 ASN 4 3HB ASN 4 0.011 -2.312 -7.485 30 HD21 ASN 4 1HD2 ASN 4 0.233 -2.630 -4.200 31 HD22 ASN 4 2HD2 ASN 4 -1.255 -1.899 -3.697 32 H THR 5 HN THR 5 -0.969 -6.162 -8.992 33 HA THR 5 HA THR 5 1.649 -5.838 -10.137 34 HB THR 5 HB THR 5 2.242 -7.227 -8.202 35 HG1 THR 5 HG1 THR 5 3.129 -8.845 -9.542 36 HG21 THR 5 3HG2 THR 5 1.089 -9.669 -8.422 37 HG22 THR 5 1HG2 THR 5 0.401 -8.407 -7.372 38 HG23 THR 5 2HG2 THR 5 -0.278 -8.682 -8.994 39 H LEU 6 HN LEU 6 1.820 -6.716 -12.210 40 HA LEU 6 HA LEU 6 -0.348 -6.742 -13.770 41 HB2 LEU 6 2HB LEU 6 0.953 -7.691 -15.433 42 HB3 LEU 6 3HB LEU 6 2.101 -6.885 -14.383 43 HG LEU 6 HG LEU 6 3.017 -8.992 -15.069 44 HD11 LEU 6 1HD1 LEU 6 3.416 -10.082 -12.891 45 HD12 LEU 6 2HD1 LEU 6 3.565 -8.310 -12.810 46 HD13 LEU 6 3HD1 LEU 6 2.105 -9.110 -12.181 47 HD21 LEU 6 3HD2 LEU 6 1.849 -10.854 -15.402 48 HD22 LEU 6 1HD2 LEU 6 1.185 -10.823 -13.751 49 HD23 LEU 6 2HD2 LEU 6 0.386 -9.904 -15.049 50 H GLN 7 HN GLN 7 -2.029 -8.088 -14.356 51 HA GLN 7 HA GLN 7 -2.043 -10.668 -12.996 52 HB2 GLN 7 2HB GLN 7 -3.603 -8.906 -12.000 53 HB3 GLN 7 3HB GLN 7 -4.497 -8.935 -13.507 54 HG2 GLN 7 2HG GLN 7 -5.139 -11.236 -13.213 55 HG3 GLN 7 3HG GLN 7 -3.942 -11.496 -11.960 56 HE21 GLN 7 1HE2 GLN 7 -4.464 -11.209 -9.906 57 HE22 GLN 7 2HE2 GLN 7 -5.938 -10.527 -9.305 58 H LYS 8 HN LYS 8 -3.561 -8.723 -15.668 59 HA LYS 8 HA LYS 8 -2.852 -10.329 -17.729 60 HB2 LYS 8 2HB LYS 8 -5.192 -11.538 -18.009 61 HB3 LYS 8 3HB LYS 8 -3.861 -12.287 -17.150 62 HG2 LYS 8 2HG LYS 8 -5.042 -12.313 -15.213 63 HG3 LYS 8 3HG LYS 8 -5.330 -10.587 -15.308 64 HD2 LYS 8 2HD LYS 8 -7.041 -11.623 -17.276 65 HD3 LYS 8 3HD LYS 8 -7.124 -12.828 -16.006 66 HE2 LYS 8 2HE LYS 8 -7.990 -11.306 -14.421 67 HE3 LYS 8 3HE LYS 8 -7.326 -9.908 -15.243 68 HZ1 LYS 8 3HZ LYS 8 -8.934 -10.711 -17.102 69 HZ2 LYS 8 1HZ LYS 8 -9.727 -11.408 -15.856 70 HZ3 LYS 8 2HZ LYS 8 -9.481 -9.794 -15.866 71 H TYR 9 HN TYR 9 -6.296 -9.552 -17.003 72 HA TYR 9 HA TYR 9 -6.866 -8.211 -19.259 73 HB2 TYR 9 2HB TYR 9 -8.671 -7.250 -17.888 74 HB3 TYR 9 3HB TYR 9 -8.301 -8.811 -17.185 75 HD1 TYR 9 HD1 TYR 9 -5.895 -8.289 -15.588 76 HD2 TYR 9 HD2 TYR 9 -9.377 -5.868 -16.151 77 HE1 TYR 9 HE1 TYR 9 -5.492 -7.175 -13.339 78 HE2 TYR 9 HE2 TYR 9 -8.963 -4.762 -13.899 79 HH TYR 9 HH TYR 9 -6.360 -5.885 -11.792 80 H TYR 10 HN TYR 10 -4.740 -7.123 -16.677 81 HA TYR 10 HA TYR 10 -4.259 -4.687 -18.202 82 HB2 TYR 10 2HB TYR 10 -4.799 -3.309 -16.338 83 HB3 TYR 10 3HB TYR 10 -5.964 -4.595 -16.097 84 HD1 TYR 10 HD1 TYR 10 -3.901 -6.700 -15.133 85 HD2 TYR 10 HD2 TYR 10 -4.620 -2.624 -14.049 86 HE1 TYR 10 HE1 TYR 10 -2.935 -7.137 -12.822 87 HE2 TYR 10 HE2 TYR 10 -3.651 -3.075 -11.742 88 HH TYR 10 HH TYR 10 -3.385 -5.899 -10.421 89 H CYS 11 HN CYS 11 -2.975 -7.438 -17.382 90 HA CYS 11 HA CYS 11 -0.952 -7.121 -15.618 91 HB2 CYS 11 2HB CYS 11 -0.961 -9.239 -16.365 92 HB3 CYS 11 3HB CYS 11 -1.429 -8.790 -17.993 93 H ARG 12 HN ARG 12 0.215 -5.199 -15.497 94 HA ARG 12 HA ARG 12 0.992 -3.888 -17.891 95 HB2 ARG 12 2HB ARG 12 1.845 -2.155 -16.437 96 HB3 ARG 12 3HB ARG 12 0.374 -2.740 -15.685 97 HG2 ARG 12 2HG ARG 12 2.435 -4.423 -14.686 98 HG3 ARG 12 3HG ARG 12 3.116 -2.809 -14.669 99 HD2 ARG 12 2HD ARG 12 0.522 -2.397 -13.688 100 HD3 ARG 12 3HD ARG 12 0.955 -3.949 -13.000 101 HE ARG 12 HE ARG 12 3.202 -2.274 -12.633 102 HH11 ARG 12 2HH2 ARG 12 -0.161 -2.367 -11.601 103 HH12 ARG 12 1HH2 ARG 12 0.140 -1.532 -10.113 104 HH21 ARG 12 2HH1 ARG 12 3.599 -1.174 -10.670 105 HH22 ARG 12 1HH1 ARG 12 2.293 -0.849 -9.580 106 H VAL 13 HN VAL 13 3.620 -2.946 -16.658 107 HA VAL 13 HA VAL 13 5.763 -3.503 -16.578 108 HB VAL 13 HB VAL 13 4.933 -6.404 -16.491 109 HG11 VAL 13 1HG1 VAL 13 7.075 -6.324 -14.934 110 HG12 VAL 13 2HG1 VAL 13 7.223 -6.451 -16.703 111 HG13 VAL 13 3HG1 VAL 13 7.443 -4.877 -15.902 112 HG21 VAL 13 3HG2 VAL 13 4.465 -4.278 -14.544 113 HG22 VAL 13 1HG2 VAL 13 3.847 -5.946 -14.587 114 HG23 VAL 13 2HG2 VAL 13 5.443 -5.606 -13.875 115 H ARG 14 HN ARG 14 7.297 -3.602 -18.199 116 HA ARG 14 HA ARG 14 8.232 -4.203 -20.092 117 HB2 ARG 14 2HB ARG 14 6.498 -6.336 -19.851 118 HB3 ARG 14 3HB ARG 14 5.896 -5.610 -21.328 119 HG2 ARG 14 2HG ARG 14 7.673 -7.328 -21.755 120 HG3 ARG 14 3HG ARG 14 8.101 -5.749 -22.382 121 HD2 ARG 14 2HD ARG 14 8.972 -6.138 -19.578 122 HD3 ARG 14 3HD ARG 14 9.678 -7.309 -20.674 123 HE ARG 14 HE ARG 14 9.845 -4.697 -21.860 124 HH11 ARG 14 2HH2 ARG 14 11.255 -6.606 -19.261 125 HH12 ARG 14 1HH2 ARG 14 12.763 -5.753 -19.281 126 HH21 ARG 14 2HH1 ARG 14 11.834 -3.572 -21.886 127 HH22 ARG 14 1HH1 ARG 14 13.095 -4.016 -20.784 128 H GLY 15 HN GLY 15 6.304 -1.944 -19.488 129 HA2 GLY 15 1HA GLY 15 5.470 -0.152 -20.557 130 HA3 GLY 15 2HA GLY 15 6.305 -0.692 -22.001 131 H ALA 16 HN ALA 16 3.256 -0.158 -20.567 132 HA ALA 16 HA ALA 16 1.175 -0.514 -21.225 133 HB1 ALA 16 1HB ALA 16 2.552 0.026 -23.505 134 HB2 ALA 16 2HB ALA 16 1.907 -1.583 -23.907 135 HB3 ALA 16 3HB ALA 16 0.797 -0.264 -23.464 136 H ILE 17 HN ILE 17 -0.401 -2.170 -21.173 137 HA ILE 17 HA ILE 17 0.569 -4.676 -20.322 138 HB ILE 17 HB ILE 17 -1.657 -5.219 -19.920 139 HG12 ILE 17 2HG1 ILE 17 -2.156 -3.918 -22.423 140 HG13 ILE 17 3HG1 ILE 17 -3.188 -5.005 -21.515 141 HG21 ILE 17 1HG2 ILE 17 -0.722 -3.227 -18.664 142 HG22 ILE 17 2HG2 ILE 17 -1.703 -2.202 -19.739 143 HG23 ILE 17 3HG2 ILE 17 -2.495 -3.390 -18.676 144 HD11 ILE 17 3HD1 ILE 17 -4.399 -2.930 -21.761 145 HD12 ILE 17 1HD1 ILE 17 -3.865 -3.010 -20.065 146 HD13 ILE 17 2HD1 ILE 17 -2.994 -1.977 -21.224 147 H CYS 18 HN CYS 18 -1.678 -6.153 -21.812 148 HA CYS 18 HA CYS 18 -0.316 -7.601 -23.527 149 HB2 CYS 18 2HB CYS 18 -2.309 -8.241 -24.579 150 HB3 CYS 18 3HB CYS 18 -2.749 -7.802 -22.941 151 H HIS 19 HN HIS 19 0.329 -7.539 -25.767 152 HA HIS 19 HA HIS 19 1.294 -5.142 -26.671 153 HB2 HIS 19 2HB HIS 19 2.080 -7.348 -27.400 154 HB3 HIS 19 3HB HIS 19 0.576 -7.624 -28.256 155 HD1 HIS 19 HD1 HIS 19 0.187 -5.052 -29.830 156 HD2 HIS 19 HD2 HIS 19 3.925 -6.895 -29.357 157 HE1 HIS 19 HE1 HIS 19 1.635 -4.238 -31.766 158 HE2 HIS 19 HE2 HIS 19 3.936 -5.360 -31.391 159 HA PRO 20 HA PRO 20 -2.223 -3.190 -28.291 160 HB2 PRO 20 2HB PRO 20 -1.011 -1.135 -29.625 161 HB3 PRO 20 3HB PRO 20 -1.325 -1.106 -27.901 162 HG2 PRO 20 2HG PRO 20 1.238 -1.530 -29.312 163 HG3 PRO 20 3HG PRO 20 0.967 -1.079 -27.641 164 HD2 PRO 20 2HD PRO 20 1.710 -3.670 -28.619 165 HD3 PRO 20 3HD PRO 20 1.326 -3.246 -26.963 166 H VAL 21 HN VAL 21 -3.611 -3.251 -30.012 167 HA VAL 21 HA VAL 21 -4.215 -3.571 -32.136 168 HB VAL 21 HB VAL 21 -1.364 -4.039 -32.967 169 HG11 VAL 21 1HG1 VAL 21 -2.976 -4.442 -34.693 170 HG12 VAL 21 2HG1 VAL 21 -3.834 -2.925 -34.332 171 HG13 VAL 21 3HG1 VAL 21 -2.202 -2.878 -35.041 172 HG21 VAL 21 3HG2 VAL 21 -1.768 -1.361 -33.445 173 HG22 VAL 21 1HG2 VAL 21 -2.518 -1.574 -31.845 174 HG23 VAL 21 2HG2 VAL 21 -0.818 -2.036 -32.100 175 H PHE 22 HN PHE 22 -1.377 -5.667 -31.259 176 HA PHE 22 HA PHE 22 -3.062 -7.947 -31.106 177 HB2 PHE 22 2HB PHE 22 -2.371 -9.035 -33.117 178 HB3 PHE 22 3HB PHE 22 -2.511 -7.373 -33.656 179 HD1 PHE 22 HD1 PHE 22 0.094 -6.498 -32.142 180 HD2 PHE 22 HD2 PHE 22 -0.812 -9.630 -34.858 181 HE1 PHE 22 HE1 PHE 22 2.489 -6.539 -32.893 182 HE2 PHE 22 HE2 PHE 22 1.583 -9.670 -35.610 183 HZ PHE 22 HZ PHE 22 3.204 -8.124 -34.619 184 H CYS 23 HN CYS 23 -1.374 -10.031 -31.168 185 HA CYS 23 HA CYS 23 0.865 -9.162 -29.488 186 HB2 CYS 23 2HB CYS 23 -1.096 -10.393 -28.370 187 HB3 CYS 23 3HB CYS 23 -0.527 -11.820 -29.214 188 HA PRO 24 HA PRO 24 3.128 -11.238 -32.609 189 HB2 PRO 24 2HB PRO 24 5.627 -11.007 -31.526 190 HB3 PRO 24 3HB PRO 24 4.864 -9.733 -32.456 191 HG2 PRO 24 2HG PRO 24 5.260 -9.910 -29.532 192 HG3 PRO 24 3HG PRO 24 4.900 -8.500 -30.507 193 HD2 PRO 24 2HD PRO 24 3.066 -9.951 -28.847 194 HD3 PRO 24 3HD PRO 24 2.683 -8.613 -29.911 195 H ARG 25 HN ARG 25 5.587 -12.662 -32.000 196 HA ARG 25 HA ARG 25 4.400 -14.842 -30.490 197 HB2 ARG 25 2HB ARG 25 5.383 -14.833 -33.302 198 HB3 ARG 25 3HB ARG 25 6.024 -16.148 -32.337 199 HG2 ARG 25 2HG ARG 25 3.911 -17.105 -31.970 200 HG3 ARG 25 3HG ARG 25 3.067 -15.580 -32.154 201 HD2 ARG 25 2HD ARG 25 4.499 -16.899 -34.499 202 HD3 ARG 25 3HD ARG 25 2.846 -17.310 -34.085 203 HE ARG 25 HE ARG 25 2.974 -14.480 -34.198 204 HH11 ARG 25 2HH2 ARG 25 3.361 -17.210 -36.385 205 HH12 ARG 25 1HH2 ARG 25 2.850 -16.325 -37.784 206 HH21 ARG 25 2HH1 ARG 25 2.300 -13.313 -36.044 207 HH22 ARG 25 1HH1 ARG 25 2.243 -14.094 -37.589 208 H ARG 26 HN ARG 26 6.107 -16.403 -29.632 209 HA ARG 26 HA ARG 26 8.001 -16.887 -28.697 210 HB2 ARG 26 2HB ARG 26 9.358 -14.590 -30.186 211 HB3 ARG 26 3HB ARG 26 10.134 -16.007 -29.508 212 HG2 ARG 26 2HG ARG 26 8.278 -17.190 -31.172 213 HG3 ARG 26 3HG ARG 26 8.613 -15.715 -32.058 214 HD2 ARG 26 2HD ARG 26 10.501 -16.702 -32.848 215 HD3 ARG 26 3HD ARG 26 11.163 -16.613 -31.227 216 HE ARG 26 HE ARG 26 9.576 -18.883 -31.135 217 HH11 ARG 26 2HH2 ARG 26 12.177 -17.805 -33.245 218 HH12 ARG 26 1HH2 ARG 26 12.721 -19.409 -33.607 219 HH21 ARG 26 2HH1 ARG 26 10.292 -21.000 -31.613 220 HH22 ARG 26 1HH1 ARG 26 11.641 -21.239 -32.672 221 H TYR 27 HN TYR 27 6.450 -13.877 -28.509 222 HA TYR 27 HA TYR 27 7.993 -12.263 -26.955 223 HB2 TYR 27 2HB TYR 27 5.547 -11.861 -25.890 224 HB3 TYR 27 3HB TYR 27 5.831 -11.465 -27.573 225 HD1 TYR 27 HD2 TYR 27 5.669 -14.984 -26.536 226 HD2 TYR 27 HD1 TYR 27 3.444 -11.679 -28.094 227 HE1 TYR 27 HE2 TYR 27 3.797 -16.560 -27.226 228 HE2 TYR 27 HE1 TYR 27 1.580 -13.265 -28.779 229 HH TYR 27 HH TYR 27 1.359 -15.643 -29.344 230 H LYS 28 HN LYS 28 5.301 -13.511 -25.075 231 HA LYS 28 HA LYS 28 6.260 -15.462 -23.552 232 HB2 LYS 28 2HB LYS 28 7.869 -13.049 -23.066 233 HB3 LYS 28 3HB LYS 28 7.193 -13.742 -21.605 234 HG2 LYS 28 2HG LYS 28 8.467 -15.654 -21.754 235 HG3 LYS 28 3HG LYS 28 8.313 -15.750 -23.497 236 HD2 LYS 28 2HD LYS 28 10.483 -15.055 -23.562 237 HD3 LYS 28 3HD LYS 28 9.850 -13.459 -23.212 238 HE2 LYS 28 2HE LYS 28 10.476 -13.539 -20.965 239 HE3 LYS 28 3HE LYS 28 10.295 -15.279 -20.860 240 HZ1 LYS 28 3HZ LYS 28 12.598 -14.591 -20.834 241 HZ2 LYS 28 1HZ LYS 28 12.296 -15.527 -22.137 242 HZ3 LYS 28 2HZ LYS 28 12.453 -13.911 -22.311 243 H GLN 29 HN GLN 29 4.042 -15.802 -23.343 244 HA GLN 29 HA GLN 29 2.191 -13.921 -22.718 245 HB2 GLN 29 2HB GLN 29 1.863 -16.375 -23.401 246 HB3 GLN 29 3HB GLN 29 2.100 -16.796 -21.716 247 HG2 GLN 29 2HG GLN 29 0.086 -14.645 -22.380 248 HG3 GLN 29 3HG GLN 29 -0.347 -16.313 -22.701 249 HE21 GLN 29 1HE2 GLN 29 -0.933 -17.623 -21.096 250 HE22 GLN 29 2HE2 GLN 29 -0.952 -17.220 -19.412 251 H ILE 30 HN ILE 30 1.804 -12.654 -20.953 252 HA ILE 30 HA ILE 30 2.602 -13.702 -18.344 253 HB ILE 30 HB ILE 30 3.369 -11.010 -19.475 254 HG12 ILE 30 2HG1 ILE 30 5.439 -12.678 -18.248 255 HG13 ILE 30 3HG1 ILE 30 4.685 -13.451 -19.628 256 HG21 ILE 30 1HG2 ILE 30 4.569 -11.202 -17.011 257 HG22 ILE 30 2HG2 ILE 30 3.110 -10.254 -17.387 258 HG23 ILE 30 3HG2 ILE 30 2.956 -11.892 -16.708 259 HD11 ILE 30 3HD1 ILE 30 6.124 -10.780 -19.523 260 HD12 ILE 30 1HD1 ILE 30 6.444 -12.175 -20.582 261 HD13 ILE 30 2HD1 ILE 30 5.002 -11.167 -20.850 262 H GLY 31 HN GLY 31 0.117 -13.003 -20.222 263 HA2 GLY 31 1HA GLY 31 -1.786 -12.675 -18.318 264 HA3 GLY 31 2HA GLY 31 -1.284 -11.030 -18.656 265 H THR 32 HN THR 32 -3.614 -10.868 -19.419 266 HA THR 32 HA THR 32 -3.654 -11.121 -22.276 267 HB THR 32 HB THR 32 -5.965 -12.444 -21.954 268 HG1 THR 32 HG1 THR 32 -4.213 -13.265 -19.748 269 HG21 THR 32 3HG2 THR 32 -3.460 -14.084 -21.430 270 HG22 THR 32 1HG2 THR 32 -4.863 -14.491 -22.447 271 HG23 THR 32 2HG2 THR 32 -3.681 -13.282 -23.003 272 H CYS 33 HN CYS 33 -4.562 -9.331 -23.061 273 HA CYS 33 HA CYS 33 -6.658 -8.108 -21.432 274 HB2 CYS 33 2HB CYS 33 -5.539 -6.237 -21.078 275 HB3 CYS 33 3HB CYS 33 -4.099 -7.066 -21.636 276 H GLY 34 HN GLY 34 -8.486 -8.025 -22.689 277 HA2 GLY 34 1HA GLY 34 -9.679 -7.283 -24.540 278 HA3 GLY 34 2HA GLY 34 -8.220 -7.290 -25.509 279 H LEU 35 HN LEU 35 -8.240 -8.824 -27.085 280 HA LEU 35 HA LEU 35 -9.794 -11.246 -26.570 281 HB2 LEU 35 2HB LEU 35 -8.735 -10.803 -29.266 282 HB3 LEU 35 3HB LEU 35 -10.338 -11.273 -28.735 283 HG LEU 35 HG LEU 35 -10.680 -9.227 -29.781 284 HD11 LEU 35 1HD1 LEU 35 -11.809 -8.134 -28.182 285 HD12 LEU 35 2HD1 LEU 35 -11.238 -9.442 -27.117 286 HD13 LEU 35 3HD1 LEU 35 -10.360 -7.895 -27.175 287 HD21 LEU 35 3HD2 LEU 35 -7.963 -8.769 -29.248 288 HD22 LEU 35 1HD2 LEU 35 -9.072 -7.756 -30.203 289 HD23 LEU 35 2HD2 LEU 35 -8.838 -7.430 -28.468 290 HA PRO 36 HA PRO 36 -6.299 -13.805 -26.832 291 HB2 PRO 36 2HB PRO 36 -6.684 -15.622 -28.836 292 HB3 PRO 36 3HB PRO 36 -7.466 -15.740 -27.272 293 HG2 PRO 36 2HG PRO 36 -8.620 -14.904 -29.862 294 HG3 PRO 36 3HG PRO 36 -9.448 -15.432 -28.411 295 HD2 PRO 36 2HD PRO 36 -9.184 -12.735 -29.351 296 HD3 PRO 36 3HD PRO 36 -9.910 -13.253 -27.843 297 H GLY 37 HN GLY 37 -6.697 -11.584 -29.143 298 HA2 GLY 37 1HA GLY 37 -4.267 -12.341 -30.612 299 HA3 GLY 37 2HA GLY 37 -5.449 -11.133 -31.078 300 H THR 38 HN THR 38 -5.165 -10.634 -27.817 301 HA THR 38 HA THR 38 -2.705 -9.066 -27.973 302 HB THR 38 HB THR 38 -4.307 -7.228 -26.802 303 HG1 THR 38 HG1 THR 38 -6.395 -7.453 -28.012 304 HG21 THR 38 3HG2 THR 38 -4.466 -6.076 -28.889 305 HG22 THR 38 1HG2 THR 38 -3.032 -7.108 -29.102 306 HG23 THR 38 2HG2 THR 38 -4.590 -7.593 -29.812 307 H LYS 39 HN LYS 39 -1.701 -10.486 -26.544 308 HA LYS 39 HA LYS 39 -2.905 -10.475 -23.863 309 HB2 LYS 39 2HB LYS 39 -1.849 -12.664 -23.496 310 HB3 LYS 39 3HB LYS 39 -3.019 -12.705 -24.799 311 HG2 LYS 39 2HG LYS 39 -1.252 -13.821 -25.824 312 HG3 LYS 39 3HG LYS 39 -0.896 -12.181 -26.327 313 HD2 LYS 39 2HD LYS 39 1.019 -12.086 -25.082 314 HD3 LYS 39 3HD LYS 39 0.253 -12.808 -23.681 315 HE2 LYS 39 2HE LYS 39 0.776 -14.995 -24.336 316 HE3 LYS 39 3HE LYS 39 0.782 -14.602 -26.043 317 HZ1 LYS 39 3HZ LYS 39 2.972 -14.902 -24.636 318 HZ2 LYS 39 1HZ LYS 39 2.901 -13.928 -25.945 319 HZ3 LYS 39 2HZ LYS 39 2.787 -13.291 -24.445 320 H CYS 40 HN CYS 40 -1.033 -10.970 -22.160 321 HA CYS 40 HA CYS 40 0.703 -8.765 -22.364 322 HB2 CYS 40 2HB CYS 40 -0.281 -10.331 -20.323 323 HB3 CYS 40 3HB CYS 40 1.406 -10.802 -20.373 324 H CYS 41 HN CYS 41 2.249 -8.858 -24.002 325 HA CYS 41 HA CYS 41 4.018 -11.187 -23.904 326 HB2 CYS 41 2HB CYS 41 4.256 -10.476 -26.490 327 HB3 CYS 41 3HB CYS 41 3.202 -11.748 -25.905 328 H LYS 42 HN LYS 42 6.273 -10.651 -24.546 329 HA LYS 42 HA LYS 42 7.146 -8.255 -23.444 330 HB2 LYS 42 2HB LYS 42 8.485 -10.284 -25.247 331 HB3 LYS 42 3HB LYS 42 9.333 -8.904 -24.579 332 HG2 LYS 42 2HG LYS 42 7.730 -10.690 -22.730 333 HG3 LYS 42 3HG LYS 42 9.308 -11.222 -23.277 334 HD2 LYS 42 2HD LYS 42 9.825 -8.592 -22.535 335 HD3 LYS 42 3HD LYS 42 8.602 -9.056 -21.369 336 HE2 LYS 42 2HE LYS 42 10.159 -11.289 -21.255 337 HE3 LYS 42 3HE LYS 42 11.382 -10.131 -21.737 338 HZ1 LYS 42 3HZ LYS 42 9.582 -9.790 -19.439 339 HZ2 LYS 42 1HZ LYS 42 11.136 -10.282 -19.347 340 HZ3 LYS 42 2HZ LYS 42 10.787 -8.775 -19.870 341 H LYS 43 HN LYS 43 7.237 -6.202 -24.191 342 HA LYS 43 HA LYS 43 6.082 -5.520 -26.626 343 HB2 LYS 43 2HB LYS 43 5.985 -3.733 -25.256 344 HB3 LYS 43 3HB LYS 43 7.458 -4.157 -24.407 345 HG2 LYS 43 2HG LYS 43 7.742 -2.048 -25.684 346 HG3 LYS 43 3HG LYS 43 8.833 -3.289 -26.268 347 HD2 LYS 43 2HD LYS 43 7.930 -3.185 -28.346 348 HD3 LYS 43 3HD LYS 43 6.327 -3.505 -27.714 349 HE2 LYS 43 2HE LYS 43 6.238 -1.350 -28.818 350 HE3 LYS 43 3HE LYS 43 6.141 -1.047 -27.095 351 HZ1 LYS 43 3HZ LYS 43 8.807 -1.115 -28.126 352 HZ2 LYS 43 1HZ LYS 43 7.895 0.100 -28.726 353 HZ3 LYS 43 2HZ LYS 43 8.109 -0.042 -27.113 354 HA PRO 44 HA PRO 44 10.511 -5.197 -28.239 355 HB2 PRO 44 2HB PRO 44 12.591 -6.176 -26.761 356 HB3 PRO 44 3HB PRO 44 12.124 -4.487 -26.756 357 HG2 PRO 44 2HG PRO 44 11.661 -6.544 -24.684 358 HG3 PRO 44 3HG PRO 44 11.592 -4.800 -24.533 359 HD2 PRO 44 2HD PRO 44 9.363 -6.597 -24.699 360 HD3 PRO 44 3HD PRO 44 9.297 -4.846 -24.665 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -0.722 0.817 -3.195 2 HA2 GLY 1 1HA GLY 1 -1.862 -0.554 -1.787 3 HA3 GLY 1 2HA GLY 1 -2.927 -1.029 -3.094 4 H ILE 2 HN ILE 2 -1.484 -2.226 -5.003 5 HA ILE 2 HA ILE 2 0.399 -4.044 -3.736 6 HB ILE 2 HB ILE 2 -2.075 -4.867 -3.656 7 HG12 ILE 2 2HG1 ILE 2 -1.206 -7.233 -4.117 8 HG13 ILE 2 3HG1 ILE 2 0.328 -6.487 -4.518 9 HG21 ILE 2 1HG2 ILE 2 -2.918 -5.963 -5.563 10 HG22 ILE 2 2HG2 ILE 2 -2.379 -4.364 -6.132 11 HG23 ILE 2 3HG2 ILE 2 -1.378 -5.803 -6.441 12 HD11 ILE 2 3HD1 ILE 2 -0.931 -6.886 -1.877 13 HD12 ILE 2 1HD1 ILE 2 0.779 -6.616 -2.290 14 HD13 ILE 2 2HD1 ILE 2 -0.324 -5.230 -2.118 15 H ILE 3 HN ILE 3 1.970 -4.828 -5.163 16 HA ILE 3 HA ILE 3 1.610 -4.190 -7.981 17 HB ILE 3 HB ILE 3 4.119 -3.350 -6.554 18 HG12 ILE 3 2HG1 ILE 3 1.647 -1.665 -7.052 19 HG13 ILE 3 3HG1 ILE 3 2.304 -2.119 -5.492 20 HG21 ILE 3 1HG2 ILE 3 4.079 -3.738 -9.046 21 HG22 ILE 3 2HG2 ILE 3 2.941 -2.374 -9.163 22 HG23 ILE 3 3HG2 ILE 3 4.582 -2.112 -8.525 23 HD11 ILE 3 3HD1 ILE 3 3.434 -0.197 -7.537 24 HD12 ILE 3 1HD1 ILE 3 3.195 0.035 -5.788 25 HD13 ILE 3 2HD1 ILE 3 4.525 -0.991 -6.376 26 H ASN 4 HN ASN 4 2.934 -5.483 -9.384 27 HA ASN 4 HA ASN 4 4.260 -7.145 -9.935 28 HB2 ASN 4 2HB ASN 4 5.470 -6.581 -7.606 29 HB3 ASN 4 3HB ASN 4 4.702 -8.065 -7.078 30 HD21 ASN 4 1HD2 ASN 4 6.618 -9.151 -6.840 31 HD22 ASN 4 2HD2 ASN 4 7.587 -9.703 -8.165 32 H THR 5 HN THR 5 1.626 -7.545 -10.129 33 HA THR 5 HA THR 5 1.124 -10.152 -8.847 34 HB THR 5 HB THR 5 -1.016 -8.140 -9.667 35 HG1 THR 5 HG1 THR 5 0.448 -7.132 -8.135 36 HG21 THR 5 3HG2 THR 5 -1.934 -10.310 -9.064 37 HG22 THR 5 1HG2 THR 5 -0.818 -10.461 -7.685 38 HG23 THR 5 2HG2 THR 5 -2.135 -9.265 -7.637 39 H LEU 6 HN LEU 6 0.369 -8.059 -11.707 40 HA LEU 6 HA LEU 6 -0.207 -8.615 -13.778 41 HB2 LEU 6 2HB LEU 6 2.059 -10.512 -13.203 42 HB3 LEU 6 3HB LEU 6 1.320 -10.403 -14.789 43 HG LEU 6 HG LEU 6 3.462 -9.062 -14.343 44 HD11 LEU 6 1HD1 LEU 6 2.488 -7.046 -15.638 45 HD12 LEU 6 2HD1 LEU 6 2.421 -8.662 -16.382 46 HD13 LEU 6 3HD1 LEU 6 0.967 -7.970 -15.623 47 HD21 LEU 6 3HD2 LEU 6 1.511 -7.168 -13.006 48 HD22 LEU 6 1HD2 LEU 6 2.734 -8.145 -12.159 49 HD23 LEU 6 2HD2 LEU 6 3.242 -6.891 -13.315 50 H GLN 7 HN GLN 7 -2.358 -9.248 -13.646 51 HA GLN 7 HA GLN 7 -2.925 -11.935 -12.842 52 HB2 GLN 7 2HB GLN 7 -4.666 -9.609 -13.748 53 HB3 GLN 7 3HB GLN 7 -5.329 -11.191 -13.390 54 HG2 GLN 7 2HG GLN 7 -3.592 -9.660 -11.404 55 HG3 GLN 7 3HG GLN 7 -5.334 -9.481 -11.460 56 HE21 GLN 7 1HE2 GLN 7 -6.485 -10.748 -10.224 57 HE22 GLN 7 2HE2 GLN 7 -6.015 -12.277 -9.560 58 H LYS 8 HN LYS 8 -4.348 -10.153 -15.647 59 HA LYS 8 HA LYS 8 -3.102 -11.554 -17.668 60 HB2 LYS 8 2HB LYS 8 -5.084 -13.113 -18.248 61 HB3 LYS 8 3HB LYS 8 -3.911 -13.635 -17.055 62 HG2 LYS 8 2HG LYS 8 -5.853 -12.149 -15.597 63 HG3 LYS 8 3HG LYS 8 -6.771 -13.128 -16.724 64 HD2 LYS 8 2HD LYS 8 -6.188 -15.104 -15.698 65 HD3 LYS 8 3HD LYS 8 -4.541 -14.586 -15.399 66 HE2 LYS 8 2HE LYS 8 -6.234 -12.929 -13.775 67 HE3 LYS 8 3HE LYS 8 -6.800 -14.576 -13.577 68 HZ1 LYS 8 3HZ LYS 8 -4.562 -15.235 -13.049 69 HZ2 LYS 8 1HZ LYS 8 -4.005 -13.717 -13.277 70 HZ3 LYS 8 2HZ LYS 8 -5.032 -14.034 -12.048 71 H TYR 9 HN TYR 9 -6.668 -11.183 -17.204 72 HA TYR 9 HA TYR 9 -7.228 -9.934 -19.517 73 HB2 TYR 9 2HB TYR 9 -9.217 -9.172 -18.287 74 HB3 TYR 9 3HB TYR 9 -8.722 -10.673 -17.530 75 HD1 TYR 9 HD1 TYR 9 -6.582 -9.971 -15.728 76 HD2 TYR 9 HD2 TYR 9 -10.111 -7.750 -16.688 77 HE1 TYR 9 HE1 TYR 9 -6.460 -8.791 -13.479 78 HE2 TYR 9 HE2 TYR 9 -9.977 -6.578 -14.435 79 HH TYR 9 HH TYR 9 -8.645 -7.538 -11.983 80 H TYR 10 HN TYR 10 -5.482 -8.572 -16.763 81 HA TYR 10 HA TYR 10 -5.098 -6.137 -18.315 82 HB2 TYR 10 2HB TYR 10 -6.048 -4.790 -16.617 83 HB3 TYR 10 3HB TYR 10 -7.018 -6.228 -16.369 84 HD1 TYR 10 HD1 TYR 10 -4.796 -7.939 -15.092 85 HD2 TYR 10 HD2 TYR 10 -6.114 -3.929 -14.393 86 HE1 TYR 10 HE1 TYR 10 -3.969 -8.078 -12.692 87 HE2 TYR 10 HE2 TYR 10 -5.282 -4.082 -11.995 88 HH TYR 10 HH TYR 10 -4.413 -7.042 -10.575 89 H CYS 11 HN CYS 11 -3.670 -8.729 -17.151 90 HA CYS 11 HA CYS 11 -1.915 -8.219 -15.224 91 HB2 CYS 11 2HB CYS 11 -1.230 -10.194 -15.931 92 HB3 CYS 11 3HB CYS 11 -2.042 -9.970 -17.467 93 H ARG 12 HN ARG 12 -0.770 -6.357 -14.811 94 HA ARG 12 HA ARG 12 0.740 -5.282 -17.038 95 HB2 ARG 12 2HB ARG 12 -1.413 -3.931 -16.579 96 HB3 ARG 12 3HB ARG 12 -0.722 -3.506 -15.026 97 HG2 ARG 12 2HG ARG 12 1.339 -2.992 -16.912 98 HG3 ARG 12 3HG ARG 12 -0.127 -2.406 -17.672 99 HD2 ARG 12 2HD ARG 12 -0.336 -1.534 -14.986 100 HD3 ARG 12 3HD ARG 12 1.351 -1.289 -15.392 101 HE ARG 12 HE ARG 12 0.724 0.412 -16.873 102 HH11 ARG 12 2HH2 ARG 12 -2.094 -1.557 -16.124 103 HH12 ARG 12 1HH2 ARG 12 -3.204 -0.507 -16.940 104 HH21 ARG 12 2HH1 ARG 12 -0.739 1.798 -17.950 105 HH22 ARG 12 1HH1 ARG 12 -2.428 1.414 -17.987 106 H VAL 13 HN VAL 13 2.846 -4.631 -16.454 107 HA VAL 13 HA VAL 13 3.462 -4.878 -13.591 108 HB VAL 13 HB VAL 13 4.374 -6.623 -15.131 109 HG11 VAL 13 1HG1 VAL 13 4.774 -5.329 -17.126 110 HG12 VAL 13 2HG1 VAL 13 5.909 -4.262 -16.264 111 HG13 VAL 13 3HG1 VAL 13 6.331 -5.968 -16.547 112 HG21 VAL 13 3HG2 VAL 13 6.788 -6.327 -14.298 113 HG22 VAL 13 1HG2 VAL 13 6.208 -4.827 -13.535 114 HG23 VAL 13 2HG2 VAL 13 5.496 -6.393 -13.075 115 H ARG 14 HN ARG 14 3.184 -2.773 -16.291 116 HA ARG 14 HA ARG 14 3.905 -0.577 -14.822 117 HB2 ARG 14 2HB ARG 14 6.220 -1.888 -15.664 118 HB3 ARG 14 3HB ARG 14 5.994 -0.703 -16.936 119 HG2 ARG 14 2HG ARG 14 6.482 1.066 -15.558 120 HG3 ARG 14 3HG ARG 14 5.571 0.403 -14.216 121 HD2 ARG 14 2HD ARG 14 7.540 -1.347 -14.044 122 HD3 ARG 14 3HD ARG 14 8.435 -0.206 -15.028 123 HE ARG 14 HE ARG 14 7.260 1.286 -12.924 124 HH11 ARG 14 2HH2 ARG 14 9.637 -1.281 -13.305 125 HH12 ARG 14 1HH2 ARG 14 10.528 -0.841 -11.886 126 HH21 ARG 14 2HH1 ARG 14 8.435 1.867 -11.052 127 HH22 ARG 14 1HH1 ARG 14 9.840 0.961 -10.596 128 H GLY 15 HN GLY 15 4.718 -1.537 -18.244 129 HA2 GLY 15 1HA GLY 15 3.266 0.724 -19.291 130 HA3 GLY 15 2HA GLY 15 4.151 -0.494 -20.187 131 H ALA 16 HN ALA 16 2.054 -0.136 -21.559 132 HA ALA 16 HA ALA 16 -0.440 -0.832 -20.881 133 HB1 ALA 16 1HB ALA 16 -0.629 -1.711 -23.239 134 HB2 ALA 16 2HB ALA 16 0.154 -0.118 -23.113 135 HB3 ALA 16 3HB ALA 16 1.141 -1.576 -23.371 136 H ILE 17 HN ILE 17 -1.501 -2.581 -20.070 137 HA ILE 17 HA ILE 17 -0.240 -4.720 -18.996 138 HB ILE 17 HB ILE 17 -2.327 -5.632 -18.627 139 HG12 ILE 17 2HG1 ILE 17 -2.850 -5.904 -21.082 140 HG13 ILE 17 3HG1 ILE 17 -4.217 -5.555 -20.042 141 HG21 ILE 17 1HG2 ILE 17 -3.344 -3.905 -17.620 142 HG22 ILE 17 2HG2 ILE 17 -1.963 -2.960 -18.227 143 HG23 ILE 17 3HG2 ILE 17 -3.497 -2.975 -19.130 144 HD11 ILE 17 3HD1 ILE 17 -2.746 -3.258 -21.352 145 HD12 ILE 17 1HD1 ILE 17 -3.911 -4.214 -22.299 146 HD13 ILE 17 2HD1 ILE 17 -4.447 -3.355 -20.835 147 H CYS 18 HN CYS 18 -1.558 -4.408 -22.341 148 HA CYS 18 HA CYS 18 0.085 -6.731 -23.016 149 HB2 CYS 18 2HB CYS 18 -1.625 -7.485 -24.594 150 HB3 CYS 18 3HB CYS 18 -2.175 -7.537 -22.931 151 H HIS 19 HN HIS 19 0.684 -6.708 -25.405 152 HA HIS 19 HA HIS 19 1.834 -4.375 -26.145 153 HB2 HIS 19 2HB HIS 19 2.341 -6.568 -27.111 154 HB3 HIS 19 3HB HIS 19 0.795 -6.589 -27.936 155 HD1 HIS 19 HD1 HIS 19 0.676 -3.834 -29.234 156 HD2 HIS 19 HD2 HIS 19 4.169 -6.153 -29.094 157 HE1 HIS 19 HE1 HIS 19 2.159 -3.009 -31.139 158 HE2 HIS 19 HE2 HIS 19 4.312 -4.433 -30.969 159 HA PRO 20 HA PRO 20 -1.451 -1.867 -27.462 160 HB2 PRO 20 2HB PRO 20 -0.022 0.156 -28.617 161 HB3 PRO 20 3HB PRO 20 -0.303 0.046 -26.891 162 HG2 PRO 20 2HG PRO 20 2.168 -0.531 -28.408 163 HG3 PRO 20 3HG PRO 20 1.980 -0.224 -26.693 164 HD2 PRO 20 2HD PRO 20 2.391 -2.771 -27.945 165 HD3 PRO 20 3HD PRO 20 2.087 -2.476 -26.245 166 H VAL 21 HN VAL 21 -2.881 -1.674 -29.119 167 HA VAL 21 HA VAL 21 -3.550 -1.679 -31.253 168 HB VAL 21 HB VAL 21 -0.796 -2.384 -32.224 169 HG11 VAL 21 1HG1 VAL 21 -3.223 -0.990 -33.352 170 HG12 VAL 21 2HG1 VAL 21 -1.610 -0.752 -34.066 171 HG13 VAL 21 3HG1 VAL 21 -2.321 -2.383 -33.998 172 HG21 VAL 21 3HG2 VAL 21 0.051 -0.557 -31.245 173 HG22 VAL 21 1HG2 VAL 21 -0.949 0.389 -32.374 174 HG23 VAL 21 2HG2 VAL 21 -1.557 0.017 -30.743 175 H PHE 22 HN PHE 22 -0.929 -4.149 -30.741 176 HA PHE 22 HA PHE 22 -2.856 -6.239 -30.712 177 HB2 PHE 22 2HB PHE 22 -2.363 -7.189 -32.854 178 HB3 PHE 22 3HB PHE 22 -2.378 -5.475 -33.218 179 HD1 PHE 22 HD1 PHE 22 0.383 -5.035 -31.749 180 HD2 PHE 22 HD2 PHE 22 -0.968 -7.689 -34.772 181 HE1 PHE 22 HE1 PHE 22 2.721 -5.204 -32.645 182 HE2 PHE 22 HE2 PHE 22 1.371 -7.859 -35.668 183 HZ PHE 22 HZ PHE 22 3.187 -6.614 -34.593 184 H CYS 23 HN CYS 23 -1.374 -8.466 -31.141 185 HA CYS 23 HA CYS 23 0.991 -8.031 -29.464 186 HB2 CYS 23 2HB CYS 23 -1.057 -9.215 -28.434 187 HB3 CYS 23 3HB CYS 23 -0.623 -10.572 -29.454 188 HA PRO 24 HA PRO 24 2.926 -9.890 -32.925 189 HB2 PRO 24 2HB PRO 24 5.477 -10.006 -31.950 190 HB3 PRO 24 3HB PRO 24 4.796 -8.568 -32.684 191 HG2 PRO 24 2HG PRO 24 5.291 -9.132 -29.825 192 HG3 PRO 24 3HG PRO 24 5.022 -7.588 -30.609 193 HD2 PRO 24 2HD PRO 24 3.132 -9.068 -29.040 194 HD3 PRO 24 3HD PRO 24 2.829 -7.583 -29.919 195 H ARG 25 HN ARG 25 5.262 -11.585 -32.625 196 HA ARG 25 HA ARG 25 3.941 -13.824 -31.327 197 HB2 ARG 25 2HB ARG 25 4.810 -13.545 -34.157 198 HB3 ARG 25 3HB ARG 25 5.399 -15.009 -33.393 199 HG2 ARG 25 2HG ARG 25 3.356 -15.886 -33.910 200 HG3 ARG 25 3HG ARG 25 2.772 -14.983 -32.526 201 HD2 ARG 25 2HD ARG 25 2.483 -12.984 -34.196 202 HD3 ARG 25 3HD ARG 25 2.664 -14.183 -35.461 203 HE ARG 25 HE ARG 25 0.740 -15.214 -33.662 204 HH11 ARG 25 2HH2 ARG 25 1.077 -12.445 -35.807 205 HH12 ARG 25 1HH2 ARG 25 -0.625 -12.297 -36.092 206 HH21 ARG 25 2HH1 ARG 25 -1.506 -15.020 -34.038 207 HH22 ARG 25 1HH1 ARG 25 -2.104 -13.771 -35.079 208 H ARG 26 HN ARG 26 5.560 -15.656 -30.824 209 HA ARG 26 HA ARG 26 7.424 -16.398 -30.013 210 HB2 ARG 26 2HB ARG 26 8.332 -14.729 -32.141 211 HB3 ARG 26 3HB ARG 26 9.367 -14.344 -30.781 212 HG2 ARG 26 2HG ARG 26 10.555 -16.198 -31.373 213 HG3 ARG 26 3HG ARG 26 9.263 -17.111 -30.620 214 HD2 ARG 26 2HD ARG 26 8.706 -16.265 -33.427 215 HD3 ARG 26 3HD ARG 26 10.039 -17.390 -33.257 216 HE ARG 26 HE ARG 26 7.264 -18.038 -32.989 217 HH11 ARG 26 2HH2 ARG 26 10.350 -18.716 -31.441 218 HH12 ARG 26 1HH2 ARG 26 9.857 -20.267 -30.849 219 HH21 ARG 26 2HH1 ARG 26 6.613 -20.084 -32.209 220 HH22 ARG 26 1HH1 ARG 26 7.718 -21.051 -31.289 221 H TYR 27 HN TYR 27 6.107 -13.366 -29.333 222 HA TYR 27 HA TYR 27 7.874 -12.120 -27.641 223 HB2 TYR 27 2HB TYR 27 5.512 -11.555 -26.496 224 HB3 TYR 27 3HB TYR 27 5.807 -11.019 -28.138 225 HD1 TYR 27 HD2 TYR 27 5.289 -14.592 -27.555 226 HD2 TYR 27 HD1 TYR 27 3.362 -10.893 -28.508 227 HE1 TYR 27 HE2 TYR 27 3.230 -15.859 -28.342 228 HE2 TYR 27 HE1 TYR 27 1.310 -12.172 -29.291 229 HH TYR 27 HH TYR 27 1.346 -15.680 -29.505 230 H LYS 28 HN LYS 28 5.066 -13.255 -25.875 231 HA LYS 28 HA LYS 28 5.802 -15.503 -24.645 232 HB2 LYS 28 2HB LYS 28 7.663 -13.363 -23.874 233 HB3 LYS 28 3HB LYS 28 6.907 -14.149 -22.503 234 HG2 LYS 28 2HG LYS 28 7.890 -16.205 -22.948 235 HG3 LYS 28 3HG LYS 28 7.870 -15.966 -24.684 236 HD2 LYS 28 2HD LYS 28 10.003 -15.190 -24.672 237 HD3 LYS 28 3HD LYS 28 9.612 -13.979 -23.466 238 HE2 LYS 28 2HE LYS 28 11.232 -15.304 -22.365 239 HE3 LYS 28 3HE LYS 28 9.725 -15.938 -21.735 240 HZ1 LYS 28 3HZ LYS 28 10.352 -17.267 -24.103 241 HZ2 LYS 28 1HZ LYS 28 11.664 -17.304 -23.130 242 HZ3 LYS 28 2HZ LYS 28 10.233 -17.882 -22.595 243 H GLN 29 HN GLN 29 3.655 -15.795 -24.222 244 HA GLN 29 HA GLN 29 1.955 -13.787 -23.427 245 HB2 GLN 29 2HB GLN 29 1.446 -16.156 -24.354 246 HB3 GLN 29 3HB GLN 29 1.585 -16.715 -22.699 247 HG2 GLN 29 2HG GLN 29 -0.108 -14.324 -22.852 248 HG3 GLN 29 3HG GLN 29 -0.703 -15.578 -23.922 249 HE21 GLN 29 1HE2 GLN 29 -1.306 -14.363 -21.105 250 HE22 GLN 29 2HE2 GLN 29 -1.689 -15.744 -20.132 251 H ILE 30 HN ILE 30 1.799 -12.660 -21.540 252 HA ILE 30 HA ILE 30 2.774 -14.011 -19.119 253 HB ILE 30 HB ILE 30 3.045 -11.139 -19.991 254 HG12 ILE 30 2HG1 ILE 30 4.798 -12.401 -20.917 255 HG13 ILE 30 3HG1 ILE 30 5.480 -11.653 -19.487 256 HG21 ILE 30 1HG2 ILE 30 4.155 -10.803 -17.759 257 HG22 ILE 30 2HG2 ILE 30 2.388 -11.012 -17.707 258 HG23 ILE 30 3HG2 ILE 30 3.458 -12.361 -17.254 259 HD11 ILE 30 3HD1 ILE 30 4.609 -13.941 -18.340 260 HD12 ILE 30 1HD1 ILE 30 4.833 -14.536 -20.002 261 HD13 ILE 30 2HD1 ILE 30 6.204 -13.819 -19.122 262 H GLY 31 HN GLY 31 0.095 -12.850 -20.828 263 HA2 GLY 31 1HA GLY 31 -1.839 -13.446 -19.080 264 HA3 GLY 31 2HA GLY 31 -1.366 -11.853 -18.525 265 H THR 32 HN THR 32 -3.416 -13.540 -20.621 266 HA THR 32 HA THR 32 -3.458 -11.748 -22.825 267 HB THR 32 HB THR 32 -5.703 -13.010 -23.180 268 HG1 THR 32 HG1 THR 32 -6.296 -14.053 -21.323 269 HG21 THR 32 3HG2 THR 32 -4.466 -15.348 -23.213 270 HG22 THR 32 1HG2 THR 32 -3.906 -14.073 -24.322 271 HG23 THR 32 2HG2 THR 32 -3.019 -14.392 -22.812 272 H CYS 33 HN CYS 33 -4.528 -9.878 -23.188 273 HA CYS 33 HA CYS 33 -6.078 -8.896 -20.912 274 HB2 CYS 33 2HB CYS 33 -5.368 -6.774 -21.349 275 HB3 CYS 33 3HB CYS 33 -3.960 -7.698 -21.832 276 H GLY 34 HN GLY 34 -7.024 -10.816 -23.007 277 HA2 GLY 34 1HA GLY 34 -9.535 -10.195 -23.475 278 HA3 GLY 34 2HA GLY 34 -8.775 -9.185 -24.689 279 H LEU 35 HN LEU 35 -7.557 -10.166 -26.447 280 HA LEU 35 HA LEU 35 -8.171 -13.024 -26.750 281 HB2 LEU 35 2HB LEU 35 -7.719 -11.556 -29.220 282 HB3 LEU 35 3HB LEU 35 -8.991 -12.679 -28.783 283 HG LEU 35 HG LEU 35 -8.956 -9.776 -27.920 284 HD11 LEU 35 1HD1 LEU 35 -9.785 -11.029 -30.472 285 HD12 LEU 35 2HD1 LEU 35 -10.933 -9.872 -29.755 286 HD13 LEU 35 3HD1 LEU 35 -9.265 -9.364 -30.116 287 HD21 LEU 35 3HD2 LEU 35 -10.524 -11.998 -27.108 288 HD22 LEU 35 1HD2 LEU 35 -10.709 -10.284 -26.664 289 HD23 LEU 35 2HD2 LEU 35 -11.566 -10.933 -28.082 290 HA PRO 36 HA PRO 36 -3.998 -13.705 -27.698 291 HB2 PRO 36 2HB PRO 36 -3.879 -15.048 -30.075 292 HB3 PRO 36 3HB PRO 36 -4.325 -15.814 -28.563 293 HG2 PRO 36 2HG PRO 36 -6.058 -15.028 -30.825 294 HG3 PRO 36 3HG PRO 36 -6.395 -16.151 -29.522 295 HD2 PRO 36 2HD PRO 36 -7.381 -13.469 -29.775 296 HD3 PRO 36 3HD PRO 36 -7.622 -14.550 -28.418 297 H GLY 37 HN GLY 37 -5.563 -11.423 -29.348 298 HA2 GLY 37 1HA GLY 37 -3.284 -10.757 -31.075 299 HA3 GLY 37 2HA GLY 37 -4.894 -10.069 -31.137 300 H THR 38 HN THR 38 -4.386 -10.213 -27.889 301 HA THR 38 HA THR 38 -2.586 -7.978 -27.609 302 HB THR 38 HB THR 38 -5.393 -7.500 -26.601 303 HG1 THR 38 HG1 THR 38 -5.928 -7.811 -28.755 304 HG21 THR 38 3HG2 THR 38 -4.017 -5.374 -28.091 305 HG22 THR 38 1HG2 THR 38 -4.625 -5.351 -26.419 306 HG23 THR 38 2HG2 THR 38 -3.001 -5.990 -26.767 307 H LYS 39 HN LYS 39 -1.378 -9.439 -26.344 308 HA LYS 39 HA LYS 39 -2.593 -9.845 -23.711 309 HB2 LYS 39 2HB LYS 39 -1.410 -12.073 -23.629 310 HB3 LYS 39 3HB LYS 39 -2.811 -11.990 -24.678 311 HG2 LYS 39 2HG LYS 39 -1.401 -12.916 -26.232 312 HG3 LYS 39 3HG LYS 39 -0.871 -11.262 -26.463 313 HD2 LYS 39 2HD LYS 39 1.187 -11.689 -25.583 314 HD3 LYS 39 3HD LYS 39 0.509 -12.499 -24.186 315 HE2 LYS 39 2HE LYS 39 0.523 -14.613 -25.221 316 HE3 LYS 39 3HE LYS 39 0.434 -13.942 -26.838 317 HZ1 LYS 39 3HZ LYS 39 2.676 -13.284 -26.704 318 HZ2 LYS 39 1HZ LYS 39 2.783 -13.618 -25.108 319 HZ3 LYS 39 2HZ LYS 39 2.627 -14.833 -26.188 320 H CYS 40 HN CYS 40 -0.637 -10.610 -22.156 321 HA CYS 40 HA CYS 40 1.141 -8.406 -22.214 322 HB2 CYS 40 2HB CYS 40 1.117 -10.844 -20.422 323 HB3 CYS 40 3HB CYS 40 2.076 -9.400 -20.168 324 H CYS 41 HN CYS 41 2.276 -8.700 -24.263 325 HA CYS 41 HA CYS 41 4.017 -11.050 -24.308 326 HB2 CYS 41 2HB CYS 41 4.318 -9.990 -26.769 327 HB3 CYS 41 3HB CYS 41 3.150 -11.230 -26.356 328 H LYS 42 HN LYS 42 6.246 -10.733 -24.154 329 HA LYS 42 HA LYS 42 7.258 -8.028 -24.516 330 HB2 LYS 42 2HB LYS 42 8.515 -8.174 -22.371 331 HB3 LYS 42 3HB LYS 42 6.781 -8.025 -22.173 332 HG2 LYS 42 2HG LYS 42 6.726 -9.957 -20.991 333 HG3 LYS 42 3HG LYS 42 7.377 -10.835 -22.360 334 HD2 LYS 42 2HD LYS 42 9.244 -11.186 -21.114 335 HD3 LYS 42 3HD LYS 42 9.621 -9.490 -21.349 336 HE2 LYS 42 2HE LYS 42 7.675 -10.190 -19.154 337 HE3 LYS 42 3HE LYS 42 9.365 -10.570 -18.888 338 HZ1 LYS 42 3HZ LYS 42 9.475 -8.087 -19.870 339 HZ2 LYS 42 1HZ LYS 42 8.092 -8.025 -19.004 340 HZ3 LYS 42 2HZ LYS 42 9.490 -8.457 -18.280 341 H LYS 43 HN LYS 43 9.003 -8.106 -25.822 342 HA LYS 43 HA LYS 43 9.989 -10.469 -26.834 343 HB2 LYS 43 2HB LYS 43 10.548 -7.634 -27.043 344 HB3 LYS 43 3HB LYS 43 12.041 -8.550 -27.055 345 HG2 LYS 43 2HG LYS 43 9.677 -9.399 -28.769 346 HG3 LYS 43 3HG LYS 43 10.797 -8.172 -29.326 347 HD2 LYS 43 2HD LYS 43 12.700 -9.762 -29.040 348 HD3 LYS 43 3HD LYS 43 11.595 -10.989 -28.453 349 HE2 LYS 43 2HE LYS 43 11.350 -9.688 -31.206 350 HE3 LYS 43 3HE LYS 43 12.208 -11.190 -30.922 351 HZ1 LYS 43 3HZ LYS 43 9.461 -10.790 -31.183 352 HZ2 LYS 43 1HZ LYS 43 10.275 -12.200 -31.056 353 HZ3 LYS 43 2HZ LYS 43 9.750 -11.436 -29.711 354 HA PRO 44 HA PRO 44 13.451 -10.202 -23.641 355 HB2 PRO 44 2HB PRO 44 13.396 -8.305 -21.675 356 HB3 PRO 44 3HB PRO 44 14.283 -8.107 -23.173 357 HG2 PRO 44 2HG PRO 44 11.731 -6.861 -22.352 358 HG3 PRO 44 3HG PRO 44 12.833 -6.371 -23.623 359 HD2 PRO 44 2HD PRO 44 10.338 -7.746 -23.952 360 HD3 PRO 44 3HD PRO 44 11.495 -7.359 -25.210 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 1.955 -2.595 -1.995 2 HA2 GLY 1 1HA GLY 1 1.606 -4.620 -0.339 3 HA3 GLY 1 2HA GLY 1 -0.069 -4.179 -0.607 4 H ILE 2 HN ILE 2 -0.978 -4.285 -2.793 5 HA ILE 2 HA ILE 2 0.694 -5.771 -4.681 6 HB ILE 2 HB ILE 2 -1.250 -7.205 -5.201 7 HG12 ILE 2 2HG1 ILE 2 -2.685 -6.992 -2.739 8 HG13 ILE 2 3HG1 ILE 2 -2.612 -5.394 -3.454 9 HG21 ILE 2 1HG2 ILE 2 0.081 -8.531 -3.987 10 HG22 ILE 2 2HG2 ILE 2 0.373 -7.280 -2.755 11 HG23 ILE 2 3HG2 ILE 2 -1.101 -8.276 -2.681 12 HD11 ILE 2 3HD1 ILE 2 -3.873 -5.997 -5.293 13 HD12 ILE 2 1HD1 ILE 2 -3.215 -7.650 -5.333 14 HD13 ILE 2 2HD1 ILE 2 -4.482 -7.224 -4.157 15 H ILE 3 HN ILE 3 1.005 -3.779 -5.813 16 HA ILE 3 HA ILE 3 -1.404 -2.987 -7.280 17 HB ILE 3 HB ILE 3 -0.307 -0.637 -7.222 18 HG12 ILE 3 2HG1 ILE 3 0.626 -1.396 -4.489 19 HG13 ILE 3 3HG1 ILE 3 1.666 -1.800 -5.840 20 HG21 ILE 3 1HG2 ILE 3 -2.458 -1.717 -6.030 21 HG22 ILE 3 2HG2 ILE 3 -1.524 -1.257 -4.587 22 HG23 ILE 3 3HG2 ILE 3 -1.954 -0.025 -5.798 23 HD11 ILE 3 3HD1 ILE 3 0.508 0.957 -5.888 24 HD12 ILE 3 1HD1 ILE 3 1.702 0.627 -4.610 25 HD13 ILE 3 2HD1 ILE 3 2.143 0.402 -6.320 26 H ASN 4 HN ASN 4 -1.010 -3.830 -9.271 27 HA ASN 4 HA ASN 4 -0.062 -4.165 -11.191 28 HB2 ASN 4 2HB ASN 4 2.151 -2.158 -10.639 29 HB3 ASN 4 3HB ASN 4 1.328 -2.482 -12.152 30 HD21 ASN 4 1HD2 ASN 4 1.770 -0.114 -10.198 31 HD22 ASN 4 2HD2 ASN 4 0.223 0.659 -10.110 32 H THR 5 HN THR 5 1.011 -6.145 -11.332 33 HA THR 5 HA THR 5 3.803 -6.251 -10.567 34 HB THR 5 HB THR 5 3.504 -8.105 -9.012 35 HG1 THR 5 HG1 THR 5 1.258 -8.888 -8.749 36 HG21 THR 5 3HG2 THR 5 1.238 -6.128 -8.432 37 HG22 THR 5 1HG2 THR 5 2.071 -7.165 -7.249 38 HG23 THR 5 2HG2 THR 5 2.945 -5.823 -8.027 39 H LEU 6 HN LEU 6 1.036 -8.425 -11.469 40 HA LEU 6 HA LEU 6 1.568 -8.801 -14.055 41 HB2 LEU 6 2HB LEU 6 3.669 -9.522 -14.170 42 HB3 LEU 6 3HB LEU 6 3.734 -9.942 -12.470 43 HG LEU 6 HG LEU 6 2.690 -12.091 -12.898 44 HD11 LEU 6 1HD1 LEU 6 1.858 -10.832 -15.353 45 HD12 LEU 6 2HD1 LEU 6 2.711 -12.356 -15.700 46 HD13 LEU 6 3HD1 LEU 6 1.304 -12.352 -14.609 47 HD21 LEU 6 3HD2 LEU 6 4.718 -12.089 -15.061 48 HD22 LEU 6 1HD2 LEU 6 5.239 -11.450 -13.483 49 HD23 LEU 6 2HD2 LEU 6 4.583 -13.101 -13.602 50 H GLN 7 HN GLN 7 0.067 -10.231 -14.902 51 HA GLN 7 HA GLN 7 -0.817 -12.466 -13.491 52 HB2 GLN 7 2HB GLN 7 -1.905 -10.771 -12.039 53 HB3 GLN 7 3HB GLN 7 -2.703 -10.068 -13.433 54 HG2 GLN 7 2HG GLN 7 -4.417 -11.505 -13.027 55 HG3 GLN 7 3HG GLN 7 -3.379 -12.774 -13.646 56 HE21 GLN 7 1HE2 GLN 7 -4.589 -14.158 -12.235 57 HE22 GLN 7 2HE2 GLN 7 -4.167 -14.310 -10.562 58 H LYS 8 HN LYS 8 -2.439 -9.907 -15.517 59 HA LYS 8 HA LYS 8 -2.066 -11.036 -17.960 60 HB2 LYS 8 2HB LYS 8 -4.503 -12.098 -18.132 61 HB3 LYS 8 3HB LYS 8 -3.090 -13.045 -17.712 62 HG2 LYS 8 2HG LYS 8 -3.928 -13.508 -15.654 63 HG3 LYS 8 3HG LYS 8 -4.152 -11.806 -15.305 64 HD2 LYS 8 2HD LYS 8 -6.210 -12.333 -17.127 65 HD3 LYS 8 3HD LYS 8 -6.132 -13.816 -16.196 66 HE2 LYS 8 2HE LYS 8 -5.912 -11.517 -14.409 67 HE3 LYS 8 3HE LYS 8 -7.333 -11.348 -15.421 68 HZ1 LYS 8 3HZ LYS 8 -8.029 -13.526 -14.750 69 HZ2 LYS 8 1HZ LYS 8 -6.675 -13.752 -13.864 70 HZ3 LYS 8 2HZ LYS 8 -7.762 -12.616 -13.420 71 H TYR 9 HN TYR 9 -5.347 -10.378 -16.624 72 HA TYR 9 HA TYR 9 -6.139 -8.565 -18.440 73 HB2 TYR 9 2HB TYR 9 -7.718 -7.915 -16.676 74 HB3 TYR 9 3HB TYR 9 -7.307 -9.588 -16.355 75 HD1 TYR 9 HD1 TYR 9 -4.702 -9.411 -15.020 76 HD2 TYR 9 HD2 TYR 9 -8.148 -6.908 -14.620 77 HE1 TYR 9 HE1 TYR 9 -3.977 -8.777 -12.667 78 HE2 TYR 9 HE2 TYR 9 -7.411 -6.282 -12.269 79 HH TYR 9 HH TYR 9 -5.964 -6.580 -10.700 80 H TYR 10 HN TYR 10 -3.655 -8.104 -15.992 81 HA TYR 10 HA TYR 10 -3.273 -5.395 -17.001 82 HB2 TYR 10 2HB TYR 10 -3.513 -4.466 -14.829 83 HB3 TYR 10 3HB TYR 10 -4.657 -5.786 -14.691 84 HD1 TYR 10 HD1 TYR 10 -2.546 -8.038 -14.518 85 HD2 TYR 10 HD2 TYR 10 -2.941 -4.277 -12.516 86 HE1 TYR 10 HE1 TYR 10 -1.247 -8.950 -12.532 87 HE2 TYR 10 HE2 TYR 10 -1.641 -5.203 -10.537 88 HH TYR 10 HH TYR 10 -0.778 -8.598 -10.376 89 H CYS 11 HN CYS 11 -2.024 -8.305 -16.947 90 HA CYS 11 HA CYS 11 0.236 -8.413 -15.490 91 HB2 CYS 11 2HB CYS 11 -0.277 -10.276 -16.786 92 HB3 CYS 11 3HB CYS 11 -0.405 -9.349 -18.267 93 H ARG 12 HN ARG 12 2.575 -7.975 -16.203 94 HA ARG 12 HA ARG 12 4.156 -6.637 -16.817 95 HB2 ARG 12 2HB ARG 12 2.200 -6.274 -19.051 96 HB3 ARG 12 3HB ARG 12 3.391 -4.997 -18.905 97 HG2 ARG 12 2HG ARG 12 4.336 -7.864 -18.764 98 HG3 ARG 12 3HG ARG 12 3.898 -7.209 -20.329 99 HD2 ARG 12 2HD ARG 12 6.303 -6.862 -19.944 100 HD3 ARG 12 3HD ARG 12 5.493 -5.308 -19.983 101 HE ARG 12 HE ARG 12 6.005 -4.999 -17.715 102 HH11 ARG 12 2HH2 ARG 12 6.472 -8.381 -18.566 103 HH12 ARG 12 1HH2 ARG 12 7.211 -8.792 -17.054 104 HH21 ARG 12 2HH1 ARG 12 6.980 -5.540 -15.720 105 HH22 ARG 12 1HH1 ARG 12 7.502 -7.165 -15.424 106 H VAL 13 HN VAL 13 1.726 -5.772 -15.059 107 HA VAL 13 HA VAL 13 1.130 -4.019 -13.854 108 HB VAL 13 HB VAL 13 3.853 -3.211 -14.798 109 HG11 VAL 13 1HG1 VAL 13 3.316 -1.033 -14.620 110 HG12 VAL 13 2HG1 VAL 13 1.780 -1.379 -13.791 111 HG13 VAL 13 3HG1 VAL 13 3.300 -1.334 -12.866 112 HG21 VAL 13 3HG2 VAL 13 2.740 -4.612 -12.571 113 HG22 VAL 13 1HG2 VAL 13 4.449 -4.262 -12.926 114 HG23 VAL 13 2HG2 VAL 13 3.487 -3.113 -11.966 115 H ARG 14 HN ARG 14 -0.312 -2.317 -14.095 116 HA ARG 14 HA ARG 14 -1.473 -1.867 -16.423 117 HB2 ARG 14 2HB ARG 14 -1.826 -0.886 -13.914 118 HB3 ARG 14 3HB ARG 14 -1.180 0.561 -14.661 119 HG2 ARG 14 2HG ARG 14 -3.046 0.887 -15.977 120 HG3 ARG 14 3HG ARG 14 -3.274 -0.826 -16.267 121 HD2 ARG 14 2HD ARG 14 -4.967 -0.787 -14.752 122 HD3 ARG 14 3HD ARG 14 -3.772 -0.521 -13.499 123 HE ARG 14 HE ARG 14 -4.115 2.017 -14.460 124 HH11 ARG 14 2HH2 ARG 14 -6.426 -0.451 -13.488 125 HH12 ARG 14 1HH2 ARG 14 -7.630 0.691 -12.989 126 HH21 ARG 14 2HH1 ARG 14 -5.702 3.524 -13.802 127 HH22 ARG 14 1HH1 ARG 14 -7.215 2.967 -13.169 128 H GLY 15 HN GLY 15 -1.532 0.123 -17.891 129 HA2 GLY 15 1HA GLY 15 -0.508 1.942 -18.900 130 HA3 GLY 15 2HA GLY 15 0.980 1.610 -18.036 131 H ALA 16 HN ALA 16 2.588 0.357 -18.988 132 HA ALA 16 HA ALA 16 2.128 -0.338 -21.756 133 HB1 ALA 16 1HB ALA 16 4.447 -0.313 -21.944 134 HB2 ALA 16 2HB ALA 16 4.197 0.845 -20.616 135 HB3 ALA 16 3HB ALA 16 4.696 -0.825 -20.258 136 H ILE 17 HN ILE 17 0.441 -1.903 -20.305 137 HA ILE 17 HA ILE 17 1.577 -4.269 -19.323 138 HB ILE 17 HB ILE 17 -0.658 -5.119 -19.322 139 HG12 ILE 17 2HG1 ILE 17 -0.998 -3.826 -21.719 140 HG13 ILE 17 3HG1 ILE 17 -2.264 -4.599 -20.787 141 HG21 ILE 17 1HG2 ILE 17 -0.366 -3.685 -17.520 142 HG22 ILE 17 2HG2 ILE 17 -0.310 -2.233 -18.548 143 HG23 ILE 17 3HG2 ILE 17 -1.856 -3.073 -18.279 144 HD11 ILE 17 3HD1 ILE 17 -3.034 -2.564 -19.874 145 HD12 ILE 17 1HD1 ILE 17 -1.483 -1.739 -20.164 146 HD13 ILE 17 2HD1 ILE 17 -2.571 -2.096 -21.528 147 H CYS 18 HN CYS 18 -0.467 -5.853 -21.147 148 HA CYS 18 HA CYS 18 1.277 -7.242 -22.612 149 HB2 CYS 18 2HB CYS 18 -0.728 -7.546 -24.258 150 HB3 CYS 18 3HB CYS 18 -0.795 -8.176 -22.624 151 H HIS 19 HN HIS 19 1.627 -7.262 -25.079 152 HA HIS 19 HA HIS 19 2.922 -5.037 -25.903 153 HB2 HIS 19 2HB HIS 19 3.110 -7.255 -26.933 154 HB3 HIS 19 3HB HIS 19 1.504 -7.096 -27.616 155 HD1 HIS 19 HD1 HIS 19 1.537 -4.344 -28.889 156 HD2 HIS 19 HD2 HIS 19 4.815 -6.957 -29.040 157 HE1 HIS 19 HE1 HIS 19 2.933 -3.625 -30.900 158 HE2 HIS 19 HE2 HIS 19 4.961 -5.232 -30.909 159 HA PRO 20 HA PRO 20 -0.212 -2.198 -26.868 160 HB2 PRO 20 2HB PRO 20 1.292 -0.296 -28.130 161 HB3 PRO 20 3HB PRO 20 1.165 -0.417 -26.386 162 HG2 PRO 20 2HG PRO 20 3.415 -1.195 -28.139 163 HG3 PRO 20 3HG PRO 20 3.419 -0.908 -26.410 164 HD2 PRO 20 2HD PRO 20 3.461 -3.455 -27.727 165 HD3 PRO 20 3HD PRO 20 3.348 -3.169 -26.002 166 H VAL 21 HN VAL 21 -1.712 -1.664 -28.425 167 HA VAL 21 HA VAL 21 -2.595 -1.619 -30.466 168 HB VAL 21 HB VAL 21 0.010 -2.526 -31.669 169 HG11 VAL 21 1HG1 VAL 21 -1.458 -2.403 -33.417 170 HG12 VAL 21 2HG1 VAL 21 -2.483 -1.187 -32.619 171 HG13 VAL 21 3HG1 VAL 21 -0.945 -0.699 -33.370 172 HG21 VAL 21 3HG2 VAL 21 0.179 0.171 -31.879 173 HG22 VAL 21 1HG2 VAL 21 -0.589 0.026 -30.280 174 HG23 VAL 21 2HG2 VAL 21 0.969 -0.776 -30.595 175 H PHE 22 HN PHE 22 -0.189 -4.338 -30.245 176 HA PHE 22 HA PHE 22 -2.309 -6.234 -30.109 177 HB2 PHE 22 2HB PHE 22 -2.077 -7.153 -32.300 178 HB3 PHE 22 3HB PHE 22 -1.903 -5.441 -32.628 179 HD1 PHE 22 HD1 PHE 22 0.973 -5.364 -31.344 180 HD2 PHE 22 HD2 PHE 22 -0.873 -7.782 -34.303 181 HE1 PHE 22 HE1 PHE 22 3.214 -5.792 -32.392 182 HE2 PHE 22 HE2 PHE 22 1.368 -8.210 -35.351 183 HZ PHE 22 HZ PHE 22 3.384 -7.210 -34.383 184 H CYS 23 HN CYS 23 -0.872 -8.522 -30.995 185 HA CYS 23 HA CYS 23 1.586 -8.376 -29.423 186 HB2 CYS 23 2HB CYS 23 -0.429 -9.328 -28.142 187 HB3 CYS 23 3HB CYS 23 -0.300 -10.715 -29.205 188 HA PRO 24 HA PRO 24 2.955 -10.464 -33.012 189 HB2 PRO 24 2HB PRO 24 5.512 -11.033 -32.233 190 HB3 PRO 24 3HB PRO 24 5.032 -9.477 -32.880 191 HG2 PRO 24 2HG PRO 24 5.623 -10.217 -30.080 192 HG3 PRO 24 3HG PRO 24 5.562 -8.623 -30.804 193 HD2 PRO 24 2HD PRO 24 3.565 -9.827 -29.134 194 HD3 PRO 24 3HD PRO 24 3.454 -8.282 -29.953 195 H ARG 25 HN ARG 25 5.001 -12.528 -32.909 196 HA ARG 25 HA ARG 25 3.438 -14.563 -31.552 197 HB2 ARG 25 2HB ARG 25 4.016 -14.320 -34.449 198 HB3 ARG 25 3HB ARG 25 4.484 -15.878 -33.799 199 HG2 ARG 25 2HG ARG 25 2.034 -15.626 -32.617 200 HG3 ARG 25 3HG ARG 25 1.753 -14.667 -34.056 201 HD2 ARG 25 2HD ARG 25 2.942 -16.785 -35.248 202 HD3 ARG 25 3HD ARG 25 2.349 -17.612 -33.822 203 HE ARG 25 HE ARG 25 0.126 -16.216 -34.620 204 HH11 ARG 25 2HH2 ARG 25 2.354 -18.312 -36.360 205 HH12 ARG 25 1HH2 ARG 25 1.164 -18.846 -37.499 206 HH21 ARG 25 2HH1 ARG 25 -1.445 -16.920 -36.123 207 HH22 ARG 25 1HH1 ARG 25 -1.012 -18.049 -37.364 208 H ARG 26 HN ARG 26 4.767 -16.659 -31.263 209 HA ARG 26 HA ARG 26 6.554 -17.733 -30.682 210 HB2 ARG 26 2HB ARG 26 7.563 -16.007 -32.777 211 HB3 ARG 26 3HB ARG 26 8.783 -16.096 -31.521 212 HG2 ARG 26 2HG ARG 26 7.955 -18.751 -31.721 213 HG3 ARG 26 3HG ARG 26 7.835 -18.203 -33.382 214 HD2 ARG 26 2HD ARG 26 10.085 -19.013 -33.129 215 HD3 ARG 26 3HD ARG 26 10.214 -17.265 -33.143 216 HE ARG 26 HE ARG 26 9.888 -18.340 -30.445 217 HH11 ARG 26 2HH2 ARG 26 12.224 -17.638 -32.981 218 HH12 ARG 26 1HH2 ARG 26 13.565 -17.521 -31.891 219 HH21 ARG 26 2HH1 ARG 26 11.657 -18.186 -29.006 220 HH22 ARG 26 1HH1 ARG 26 13.240 -17.835 -29.614 221 H TYR 27 HN TYR 27 5.812 -14.577 -29.761 222 HA TYR 27 HA TYR 27 7.925 -13.735 -28.204 223 HB2 TYR 27 2HB TYR 27 5.812 -12.796 -26.846 224 HB3 TYR 27 3HB TYR 27 6.059 -12.260 -28.497 225 HD1 TYR 27 HD2 TYR 27 4.936 -15.697 -27.914 226 HD2 TYR 27 HD1 TYR 27 3.666 -11.682 -28.672 227 HE1 TYR 27 HE2 TYR 27 2.619 -16.539 -28.536 228 HE2 TYR 27 HE1 TYR 27 1.354 -12.538 -29.292 229 HH TYR 27 HH TYR 27 0.205 -14.361 -29.859 230 H LYS 28 HN LYS 28 5.120 -14.394 -26.221 231 HA LYS 28 HA LYS 28 5.602 -16.821 -25.139 232 HB2 LYS 28 2HB LYS 28 7.793 -15.049 -24.502 233 HB3 LYS 28 3HB LYS 28 6.947 -15.494 -23.034 234 HG2 LYS 28 2HG LYS 28 7.299 -17.827 -23.384 235 HG3 LYS 28 3HG LYS 28 7.635 -17.618 -25.091 236 HD2 LYS 28 2HD LYS 28 9.466 -16.201 -23.175 237 HD3 LYS 28 3HD LYS 28 9.593 -17.947 -23.236 238 HE2 LYS 28 2HE LYS 28 11.008 -17.552 -24.996 239 HE3 LYS 28 3HE LYS 28 9.529 -17.390 -25.922 240 HZ1 LYS 28 3HZ LYS 28 9.802 -14.955 -24.881 241 HZ2 LYS 28 1HZ LYS 28 11.368 -15.369 -25.090 242 HZ3 LYS 28 2HZ LYS 28 10.342 -15.385 -26.361 243 H GLN 29 HN GLN 29 3.589 -17.060 -24.341 244 HA GLN 29 HA GLN 29 2.037 -14.893 -23.585 245 HB2 GLN 29 2HB GLN 29 1.323 -17.262 -24.348 246 HB3 GLN 29 3HB GLN 29 1.576 -17.763 -22.688 247 HG2 GLN 29 2HG GLN 29 -0.003 -15.289 -22.815 248 HG3 GLN 29 3HG GLN 29 -0.751 -16.564 -23.757 249 HE21 GLN 29 1HE2 GLN 29 -2.197 -15.831 -21.761 250 HE22 GLN 29 2HE2 GLN 29 -2.151 -16.911 -20.407 251 H ILE 30 HN ILE 30 1.869 -13.755 -21.691 252 HA ILE 30 HA ILE 30 2.673 -15.056 -19.225 253 HB ILE 30 HB ILE 30 3.930 -12.476 -20.165 254 HG12 ILE 30 2HG1 ILE 30 4.798 -14.481 -21.341 255 HG13 ILE 30 3HG1 ILE 30 6.000 -13.673 -20.354 256 HG21 ILE 30 1HG2 ILE 30 3.791 -13.861 -17.541 257 HG22 ILE 30 2HG2 ILE 30 5.371 -13.194 -18.018 258 HG23 ILE 30 3HG2 ILE 30 3.946 -12.131 -17.928 259 HD11 ILE 30 3HD1 ILE 30 4.508 -15.736 -18.855 260 HD12 ILE 30 1HD1 ILE 30 5.395 -16.386 -20.255 261 HD13 ILE 30 2HD1 ILE 30 6.264 -15.480 -18.993 262 H GLY 31 HN GLY 31 0.235 -13.906 -20.776 263 HA2 GLY 31 1HA GLY 31 -1.408 -13.213 -18.800 264 HA3 GLY 31 2HA GLY 31 -0.564 -11.699 -19.057 265 H THR 32 HN THR 32 -3.141 -11.415 -19.535 266 HA THR 32 HA THR 32 -3.263 -11.016 -22.377 267 HB THR 32 HB THR 32 -5.628 -12.348 -22.181 268 HG1 THR 32 HG1 THR 32 -3.661 -13.760 -20.531 269 HG21 THR 32 3HG2 THR 32 -3.540 -12.845 -23.702 270 HG22 THR 32 1HG2 THR 32 -3.080 -13.998 -22.427 271 HG23 THR 32 2HG2 THR 32 -4.618 -14.203 -23.299 272 H CYS 33 HN CYS 33 -3.863 -8.951 -22.487 273 HA CYS 33 HA CYS 33 -6.001 -8.138 -20.655 274 HB2 CYS 33 2HB CYS 33 -4.578 -5.832 -21.390 275 HB3 CYS 33 3HB CYS 33 -4.696 -6.576 -19.808 276 H GLY 34 HN GLY 34 -6.937 -5.878 -21.674 277 HA2 GLY 34 1HA GLY 34 -8.360 -5.190 -23.299 278 HA3 GLY 34 2HA GLY 34 -6.893 -5.161 -24.257 279 H LEU 35 HN LEU 35 -7.674 -5.853 -26.254 280 HA LEU 35 HA LEU 35 -9.530 -7.970 -26.486 281 HB2 LEU 35 2HB LEU 35 -8.305 -6.009 -28.146 282 HB3 LEU 35 3HB LEU 35 -8.050 -7.574 -28.893 283 HG LEU 35 HG LEU 35 -10.686 -7.779 -28.288 284 HD11 LEU 35 1HD1 LEU 35 -10.390 -5.270 -27.496 285 HD12 LEU 35 2HD1 LEU 35 -10.606 -4.947 -29.233 286 HD13 LEU 35 3HD1 LEU 35 -11.864 -5.823 -28.328 287 HD21 LEU 35 3HD2 LEU 35 -10.555 -8.244 -30.455 288 HD22 LEU 35 1HD2 LEU 35 -10.670 -6.499 -30.783 289 HD23 LEU 35 2HD2 LEU 35 -9.074 -7.273 -30.634 290 HA PRO 36 HA PRO 36 -6.944 -11.425 -26.777 291 HB2 PRO 36 2HB PRO 36 -7.685 -12.788 -29.027 292 HB3 PRO 36 3HB PRO 36 -8.605 -12.827 -27.536 293 HG2 PRO 36 2HG PRO 36 -9.200 -11.381 -30.045 294 HG3 PRO 36 3HG PRO 36 -10.281 -11.778 -28.724 295 HD2 PRO 36 2HD PRO 36 -9.112 -9.217 -29.274 296 HD3 PRO 36 3HD PRO 36 -10.099 -9.644 -27.890 297 H GLY 37 HN GLY 37 -6.424 -8.948 -28.785 298 HA2 GLY 37 1HA GLY 37 -4.192 -10.273 -30.174 299 HA3 GLY 37 2HA GLY 37 -4.931 -8.743 -30.600 300 H THR 38 HN THR 38 -4.825 -8.652 -27.275 301 HA THR 38 HA THR 38 -2.087 -7.568 -27.243 302 HB THR 38 HB THR 38 -4.542 -6.405 -25.832 303 HG1 THR 38 HG1 THR 38 -4.454 -4.930 -27.660 304 HG21 THR 38 3HG2 THR 38 -2.385 -4.577 -26.554 305 HG22 THR 38 1HG2 THR 38 -3.073 -4.897 -24.944 306 HG23 THR 38 2HG2 THR 38 -1.741 -5.904 -25.558 307 H LYS 39 HN LYS 39 -1.244 -9.512 -26.398 308 HA LYS 39 HA LYS 39 -2.182 -10.054 -23.666 309 HB2 LYS 39 2HB LYS 39 -1.621 -12.355 -23.962 310 HB3 LYS 39 3HB LYS 39 -2.631 -11.877 -25.311 311 HG2 LYS 39 2HG LYS 39 -0.835 -13.131 -26.281 312 HG3 LYS 39 3HG LYS 39 -0.477 -11.455 -26.644 313 HD2 LYS 39 2HD LYS 39 1.356 -11.387 -25.233 314 HD3 LYS 39 3HD LYS 39 0.628 -12.459 -24.054 315 HE2 LYS 39 2HE LYS 39 1.940 -13.239 -26.694 316 HE3 LYS 39 3HE LYS 39 2.480 -13.651 -25.079 317 HZ1 LYS 39 3HZ LYS 39 1.352 -15.508 -25.588 318 HZ2 LYS 39 1HZ LYS 39 0.079 -14.669 -25.002 319 HZ3 LYS 39 2HZ LYS 39 0.313 -14.778 -26.615 320 H CYS 40 HN CYS 40 -0.353 -11.022 -22.259 321 HA CYS 40 HA CYS 40 1.787 -9.150 -22.364 322 HB2 CYS 40 2HB CYS 40 0.540 -10.713 -20.395 323 HB3 CYS 40 3HB CYS 40 2.182 -11.317 -20.485 324 H CYS 41 HN CYS 41 3.124 -9.535 -24.167 325 HA CYS 41 HA CYS 41 4.190 -12.255 -24.373 326 HB2 CYS 41 2HB CYS 41 4.923 -11.018 -26.699 327 HB3 CYS 41 3HB CYS 41 3.555 -12.093 -26.491 328 H LYS 42 HN LYS 42 6.473 -12.513 -24.334 329 HA LYS 42 HA LYS 42 7.893 -10.312 -23.157 330 HB2 LYS 42 2HB LYS 42 8.000 -13.039 -22.878 331 HB3 LYS 42 3HB LYS 42 9.386 -12.744 -23.908 332 HG2 LYS 42 2HG LYS 42 10.452 -12.296 -21.926 333 HG3 LYS 42 3HG LYS 42 9.727 -10.712 -22.112 334 HD2 LYS 42 2HD LYS 42 8.220 -11.048 -20.408 335 HD3 LYS 42 3HD LYS 42 7.928 -12.717 -20.853 336 HE2 LYS 42 2HE LYS 42 10.672 -12.373 -19.877 337 HE3 LYS 42 3HE LYS 42 9.518 -11.782 -18.699 338 HZ1 LYS 42 3HZ LYS 42 9.460 -14.439 -19.953 339 HZ2 LYS 42 1HZ LYS 42 9.910 -14.113 -18.417 340 HZ3 LYS 42 2HZ LYS 42 8.360 -13.889 -18.879 341 H LYS 43 HN LYS 43 9.528 -9.074 -24.078 342 HA LYS 43 HA LYS 43 10.949 -9.584 -26.322 343 HB2 LYS 43 2HB LYS 43 8.184 -9.015 -27.016 344 HB3 LYS 43 3HB LYS 43 9.265 -7.828 -27.719 345 HG2 LYS 43 2HG LYS 43 10.110 -10.712 -27.885 346 HG3 LYS 43 3HG LYS 43 8.765 -10.218 -28.895 347 HD2 LYS 43 2HD LYS 43 10.569 -8.139 -29.297 348 HD3 LYS 43 3HD LYS 43 11.642 -9.511 -29.105 349 HE2 LYS 43 2HE LYS 43 9.927 -10.693 -30.785 350 HE3 LYS 43 3HE LYS 43 9.524 -9.042 -31.211 351 HZ1 LYS 43 3HZ LYS 43 12.241 -10.160 -31.240 352 HZ2 LYS 43 1HZ LYS 43 11.307 -9.922 -32.558 353 HZ3 LYS 43 2HZ LYS 43 11.832 -8.644 -31.686 354 HA PRO 44 HA PRO 44 10.858 -4.977 -25.331 355 HB2 PRO 44 2HB PRO 44 8.842 -3.900 -23.833 356 HB3 PRO 44 3HB PRO 44 8.842 -3.894 -25.585 357 HG2 PRO 44 2HG PRO 44 7.271 -5.584 -23.737 358 HG3 PRO 44 3HG PRO 44 6.990 -5.260 -25.436 359 HD2 PRO 44 2HD PRO 44 8.100 -7.652 -24.307 360 HD3 PRO 44 3HD PRO 44 7.926 -7.280 -26.010 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -0.590 3.703 -7.209 2 HA2 GLY 1 1HA GLY 1 -2.839 2.324 -8.386 3 HA3 GLY 1 2HA GLY 1 -1.174 2.331 -8.934 4 H ILE 2 HN ILE 2 -1.816 1.663 -5.523 5 HA ILE 2 HA ILE 2 -1.249 -0.108 -4.303 6 HB ILE 2 HB ILE 2 -3.590 -0.524 -5.312 7 HG12 ILE 2 2HG1 ILE 2 -2.759 -3.136 -4.369 8 HG13 ILE 2 3HG1 ILE 2 -1.987 -1.874 -3.430 9 HG21 ILE 2 1HG2 ILE 2 -3.677 -2.750 -6.519 10 HG22 ILE 2 2HG2 ILE 2 -3.075 -1.365 -7.461 11 HG23 ILE 2 3HG2 ILE 2 -1.930 -2.560 -6.806 12 HD11 ILE 2 3HD1 ILE 2 -4.197 -2.505 -2.476 13 HD12 ILE 2 1HD1 ILE 2 -4.181 -0.805 -3.002 14 HD13 ILE 2 2HD1 ILE 2 -4.983 -2.039 -4.003 15 H ILE 3 HN ILE 3 -0.707 -2.799 -4.786 16 HA ILE 3 HA ILE 3 1.433 -2.729 -6.781 17 HB ILE 3 HB ILE 3 1.665 -3.315 -3.850 18 HG12 ILE 3 2HG1 ILE 3 3.957 -2.082 -5.021 19 HG13 ILE 3 3HG1 ILE 3 2.541 -1.249 -5.632 20 HG21 ILE 3 1HG2 ILE 3 2.971 -4.769 -6.055 21 HG22 ILE 3 2HG2 ILE 3 4.080 -4.120 -4.822 22 HG23 ILE 3 3HG2 ILE 3 2.757 -5.211 -4.344 23 HD11 ILE 3 3HD1 ILE 3 2.843 -1.888 -2.673 24 HD12 ILE 3 1HD1 ILE 3 3.523 -0.408 -3.391 25 HD13 ILE 3 2HD1 ILE 3 1.767 -0.695 -3.439 26 H ASN 4 HN ASN 4 0.821 -4.223 -8.254 27 HA ASN 4 HA ASN 4 -0.062 -6.770 -7.159 28 HB2 ASN 4 2HB ASN 4 -1.144 -5.734 -9.803 29 HB3 ASN 4 3HB ASN 4 -1.832 -6.955 -8.750 30 HD21 ASN 4 1HD2 ASN 4 -2.538 -4.143 -9.917 31 HD22 ASN 4 2HD2 ASN 4 -3.300 -3.325 -8.593 32 H THR 5 HN THR 5 0.747 -8.613 -8.360 33 HA THR 5 HA THR 5 3.074 -8.082 -9.934 34 HB THR 5 HB THR 5 1.550 -10.617 -9.139 35 HG1 THR 5 HG1 THR 5 2.588 -9.685 -7.349 36 HG21 THR 5 3HG2 THR 5 4.394 -10.951 -9.664 37 HG22 THR 5 1HG2 THR 5 3.028 -11.839 -10.379 38 HG23 THR 5 2HG2 THR 5 3.595 -10.327 -11.127 39 H LEU 6 HN LEU 6 1.109 -10.712 -11.098 40 HA LEU 6 HA LEU 6 -0.266 -9.371 -13.121 41 HB2 LEU 6 2HB LEU 6 1.054 -9.555 -15.011 42 HB3 LEU 6 3HB LEU 6 2.128 -8.894 -13.794 43 HG LEU 6 HG LEU 6 2.826 -11.403 -13.436 44 HD11 LEU 6 1HD1 LEU 6 0.909 -11.923 -15.250 45 HD12 LEU 6 2HD1 LEU 6 2.307 -11.746 -16.337 46 HD13 LEU 6 3HD1 LEU 6 2.350 -12.943 -15.020 47 HD21 LEU 6 3HD2 LEU 6 3.869 -10.317 -16.008 48 HD22 LEU 6 1HD2 LEU 6 4.027 -9.305 -14.551 49 HD23 LEU 6 2HD2 LEU 6 4.735 -10.938 -14.582 50 H GLN 7 HN GLN 7 -1.645 -10.806 -14.199 51 HA GLN 7 HA GLN 7 -1.154 -13.614 -13.599 52 HB2 GLN 7 2HB GLN 7 -2.890 -12.636 -12.059 53 HB3 GLN 7 3HB GLN 7 -3.866 -12.225 -13.455 54 HG2 GLN 7 2HG GLN 7 -4.733 -14.317 -13.470 55 HG3 GLN 7 3HG GLN 7 -3.137 -14.981 -13.755 56 HE21 GLN 7 1HE2 GLN 7 -1.990 -15.903 -12.138 57 HE22 GLN 7 2HE2 GLN 7 -2.587 -16.181 -10.536 58 H LYS 8 HN LYS 8 -3.178 -11.291 -15.531 59 HA LYS 8 HA LYS 8 -2.370 -12.040 -17.993 60 HB2 LYS 8 2HB LYS 8 -4.444 -13.576 -18.583 61 HB3 LYS 8 3HB LYS 8 -2.928 -14.249 -18.019 62 HG2 LYS 8 2HG LYS 8 -3.909 -15.079 -16.148 63 HG3 LYS 8 3HG LYS 8 -4.562 -13.508 -15.726 64 HD2 LYS 8 2HD LYS 8 -6.147 -14.332 -17.908 65 HD3 LYS 8 3HD LYS 8 -5.902 -15.804 -16.990 66 HE2 LYS 8 2HE LYS 8 -6.944 -14.936 -15.050 67 HE3 LYS 8 3HE LYS 8 -6.659 -13.270 -15.515 68 HZ1 LYS 8 3HZ LYS 8 -8.191 -13.897 -17.470 69 HZ2 LYS 8 1HZ LYS 8 -8.693 -15.104 -16.491 70 HZ3 LYS 8 2HZ LYS 8 -8.846 -13.549 -16.015 71 H TYR 9 HN TYR 9 -5.832 -12.273 -17.034 72 HA TYR 9 HA TYR 9 -6.803 -10.437 -18.748 73 HB2 TYR 9 2HB TYR 9 -8.690 -10.397 -17.170 74 HB3 TYR 9 3HB TYR 9 -7.954 -11.979 -17.009 75 HD1 TYR 9 HD1 TYR 9 -5.614 -11.440 -15.297 76 HD2 TYR 9 HD2 TYR 9 -9.593 -9.882 -15.081 77 HE1 TYR 9 HE1 TYR 9 -5.334 -11.050 -12.800 78 HE2 TYR 9 HE2 TYR 9 -9.299 -9.497 -12.585 79 HH TYR 9 HH TYR 9 -6.702 -9.175 -11.107 80 H TYR 10 HN TYR 10 -4.785 -9.811 -15.944 81 HA TYR 10 HA TYR 10 -4.950 -6.965 -16.551 82 HB2 TYR 10 2HB TYR 10 -5.633 -6.444 -14.336 83 HB3 TYR 10 3HB TYR 10 -6.454 -7.980 -14.530 84 HD1 TYR 10 HD1 TYR 10 -3.930 -9.746 -14.330 85 HD2 TYR 10 HD2 TYR 10 -5.377 -6.490 -11.962 86 HE1 TYR 10 HE1 TYR 10 -2.692 -10.658 -12.306 87 HE2 TYR 10 HE2 TYR 10 -4.134 -7.413 -9.946 88 HH TYR 10 HH TYR 10 -2.954 -10.517 -9.824 89 H CYS 11 HN CYS 11 -3.048 -9.450 -16.747 90 HA CYS 11 HA CYS 11 -0.992 -9.182 -14.951 91 HB2 CYS 11 2HB CYS 11 -0.604 -11.014 -16.174 92 HB3 CYS 11 3HB CYS 11 -1.371 -10.360 -17.607 93 H ARG 12 HN ARG 12 -0.044 -7.230 -14.425 94 HA ARG 12 HA ARG 12 0.150 -5.213 -16.425 95 HB2 ARG 12 2HB ARG 12 0.042 -5.284 -13.591 96 HB3 ARG 12 3HB ARG 12 1.649 -4.685 -13.949 97 HG2 ARG 12 2HG ARG 12 0.478 -3.060 -15.622 98 HG3 ARG 12 3HG ARG 12 -1.017 -3.507 -14.823 99 HD2 ARG 12 2HD ARG 12 -0.400 -2.496 -12.787 100 HD3 ARG 12 3HD ARG 12 1.316 -2.662 -13.098 101 HE ARG 12 HE ARG 12 1.287 -0.645 -14.310 102 HH11 ARG 12 2HH2 ARG 12 -2.009 -1.734 -13.734 103 HH12 ARG 12 1HH2 ARG 12 -2.729 -0.259 -14.288 104 HH21 ARG 12 2HH1 ARG 12 0.338 1.301 -15.040 105 HH22 ARG 12 1HH1 ARG 12 -1.385 1.479 -15.036 106 H VAL 13 HN VAL 13 2.497 -3.906 -16.169 107 HA VAL 13 HA VAL 13 4.754 -5.599 -15.907 108 HB VAL 13 HB VAL 13 4.088 -6.544 -17.971 109 HG11 VAL 13 1HG1 VAL 13 2.588 -4.426 -18.471 110 HG12 VAL 13 2HG1 VAL 13 4.006 -3.918 -19.420 111 HG13 VAL 13 3HG1 VAL 13 3.189 -5.455 -19.793 112 HG21 VAL 13 3HG2 VAL 13 6.145 -6.448 -18.843 113 HG22 VAL 13 1HG2 VAL 13 5.949 -4.738 -19.298 114 HG23 VAL 13 2HG2 VAL 13 6.498 -5.166 -17.659 115 H ARG 14 HN ARG 14 3.584 -2.735 -17.826 116 HA ARG 14 HA ARG 14 5.289 -1.104 -16.187 117 HB2 ARG 14 2HB ARG 14 5.718 -1.618 -19.126 118 HB3 ARG 14 3HB ARG 14 5.954 0.026 -18.566 119 HG2 ARG 14 2HG ARG 14 7.504 -0.891 -16.759 120 HG3 ARG 14 3HG ARG 14 7.359 -2.469 -17.506 121 HD2 ARG 14 2HD ARG 14 8.827 -1.929 -19.168 122 HD3 ARG 14 3HD ARG 14 8.014 -0.414 -19.503 123 HE ARG 14 HE ARG 14 9.325 0.060 -17.095 124 HH11 ARG 14 2HH2 ARG 14 10.329 -1.034 -20.285 125 HH12 ARG 14 1HH2 ARG 14 11.921 -0.365 -20.154 126 HH21 ARG 14 2HH1 ARG 14 11.426 0.944 -16.922 127 HH22 ARG 14 1HH1 ARG 14 12.549 0.768 -18.228 128 H GLY 15 HN GLY 15 4.089 -0.234 -19.449 129 HA2 GLY 15 1HA GLY 15 2.517 1.912 -18.393 130 HA3 GLY 15 2HA GLY 15 2.684 1.429 -20.069 131 H ALA 16 HN ALA 16 1.461 -0.567 -20.800 132 HA ALA 16 HA ALA 16 -1.165 -0.520 -19.551 133 HB1 ALA 16 1HB ALA 16 -0.271 -1.891 -22.113 134 HB2 ALA 16 2HB ALA 16 -1.930 -1.476 -21.620 135 HB3 ALA 16 3HB ALA 16 -0.777 -0.186 -22.038 136 H ILE 17 HN ILE 17 -2.109 -3.071 -20.256 137 HA ILE 17 HA ILE 17 -0.709 -4.645 -18.260 138 HB ILE 17 HB ILE 17 -2.717 -6.143 -18.559 139 HG12 ILE 17 2HG1 ILE 17 -3.170 -4.941 -20.885 140 HG13 ILE 17 3HG1 ILE 17 -4.461 -5.639 -19.927 141 HG21 ILE 17 1HG2 ILE 17 -2.746 -3.353 -17.484 142 HG22 ILE 17 2HG2 ILE 17 -4.262 -4.286 -17.493 143 HG23 ILE 17 3HG2 ILE 17 -2.836 -4.914 -16.633 144 HD11 ILE 17 3HD1 ILE 17 -5.344 -3.590 -19.359 145 HD12 ILE 17 1HD1 ILE 17 -3.745 -2.818 -19.247 146 HD13 ILE 17 2HD1 ILE 17 -4.500 -3.073 -20.838 147 H CYS 18 HN CYS 18 -1.480 -4.591 -21.757 148 HA CYS 18 HA CYS 18 0.477 -6.736 -22.061 149 HB2 CYS 18 2HB CYS 18 -1.178 -7.293 -24.121 150 HB3 CYS 18 3HB CYS 18 -1.184 -8.129 -22.581 151 H HIS 19 HN HIS 19 1.122 -6.804 -24.552 152 HA HIS 19 HA HIS 19 2.362 -4.546 -25.242 153 HB2 HIS 19 2HB HIS 19 2.682 -6.704 -26.340 154 HB3 HIS 19 3HB HIS 19 1.115 -6.577 -27.114 155 HD1 HIS 19 HD1 HIS 19 1.127 -3.791 -28.306 156 HD2 HIS 19 HD2 HIS 19 4.500 -6.285 -28.328 157 HE1 HIS 19 HE1 HIS 19 2.614 -2.966 -30.209 158 HE2 HIS 19 HE2 HIS 19 4.696 -4.502 -30.137 159 HA PRO 20 HA PRO 20 -0.724 -1.708 -26.349 160 HB2 PRO 20 2HB PRO 20 0.844 0.247 -27.438 161 HB3 PRO 20 3HB PRO 20 0.594 0.070 -25.713 162 HG2 PRO 20 2HG PRO 20 2.973 -0.630 -27.322 163 HG3 PRO 20 3HG PRO 20 2.849 -0.399 -25.590 164 HD2 PRO 20 2HD PRO 20 3.016 -2.903 -26.979 165 HD3 PRO 20 3HD PRO 20 2.775 -2.673 -25.258 166 H VAL 21 HN VAL 21 -2.139 -1.207 -27.977 167 HA VAL 21 HA VAL 21 -2.875 -1.095 -30.075 168 HB VAL 21 HB VAL 21 -0.180 -1.902 -31.138 169 HG11 VAL 21 1HG1 VAL 21 -1.482 -1.694 -32.990 170 HG12 VAL 21 2HG1 VAL 21 -2.645 -0.611 -32.188 171 HG13 VAL 21 3HG1 VAL 21 -1.096 0.031 -32.783 172 HG21 VAL 21 3HG2 VAL 21 0.730 -0.174 -30.020 173 HG22 VAL 21 1HG2 VAL 21 -0.134 0.848 -31.194 174 HG23 VAL 21 2HG2 VAL 21 -0.857 0.516 -29.602 175 H PHE 22 HN PHE 22 -0.400 -3.753 -29.836 176 HA PHE 22 HA PHE 22 -2.473 -5.711 -29.886 177 HB2 PHE 22 2HB PHE 22 -2.089 -6.530 -32.093 178 HB3 PHE 22 3HB PHE 22 -1.923 -4.803 -32.344 179 HD1 PHE 22 HD1 PHE 22 0.860 -4.709 -30.891 180 HD2 PHE 22 HD2 PHE 22 -0.744 -7.089 -34.017 181 HE1 PHE 22 HE1 PHE 22 3.170 -5.064 -31.806 182 HE2 PHE 22 HE2 PHE 22 1.566 -7.444 -34.932 183 HZ PHE 22 HZ PHE 22 3.495 -6.428 -33.815 184 H CYS 23 HN CYS 23 -0.701 -7.809 -30.991 185 HA CYS 23 HA CYS 23 1.601 -7.689 -29.237 186 HB2 CYS 23 2HB CYS 23 -0.754 -9.020 -28.444 187 HB3 CYS 23 3HB CYS 23 0.357 -10.278 -28.950 188 HA PRO 24 HA PRO 24 3.048 -9.698 -32.846 189 HB2 PRO 24 2HB PRO 24 5.641 -10.101 -32.085 190 HB3 PRO 24 3HB PRO 24 5.061 -8.585 -32.747 191 HG2 PRO 24 2HG PRO 24 5.722 -9.250 -29.944 192 HG3 PRO 24 3HG PRO 24 5.557 -7.673 -30.688 193 HD2 PRO 24 2HD PRO 24 3.652 -8.974 -28.983 194 HD3 PRO 24 3HD PRO 24 3.440 -7.449 -29.821 195 H ARG 25 HN ARG 25 5.181 -11.640 -32.797 196 HA ARG 25 HA ARG 25 3.799 -13.741 -31.348 197 HB2 ARG 25 2HB ARG 25 4.216 -13.503 -34.273 198 HB3 ARG 25 3HB ARG 25 4.803 -15.025 -33.633 199 HG2 ARG 25 2HG ARG 25 2.631 -15.711 -33.828 200 HG3 ARG 25 3HG ARG 25 2.385 -14.839 -32.328 201 HD2 ARG 25 2HD ARG 25 2.196 -12.807 -34.240 202 HD3 ARG 25 3HD ARG 25 1.463 -14.169 -35.064 203 HE ARG 25 HE ARG 25 0.383 -12.750 -32.757 204 HH11 ARG 25 2HH2 ARG 25 0.418 -15.849 -34.425 205 HH12 ARG 25 1HH2 ARG 25 -1.116 -16.350 -33.794 206 HH21 ARG 25 2HH1 ARG 25 -1.640 -13.410 -31.926 207 HH22 ARG 25 1HH1 ARG 25 -2.294 -14.953 -32.364 208 H ARG 26 HN ARG 26 5.254 -15.756 -31.102 209 HA ARG 26 HA ARG 26 7.134 -16.732 -30.641 210 HB2 ARG 26 2HB ARG 26 8.658 -14.441 -31.973 211 HB3 ARG 26 3HB ARG 26 9.265 -16.055 -31.660 212 HG2 ARG 26 2HG ARG 26 6.757 -15.786 -33.318 213 HG3 ARG 26 3HG ARG 26 8.284 -15.361 -34.065 214 HD2 ARG 26 2HD ARG 26 9.019 -17.545 -34.124 215 HD3 ARG 26 3HD ARG 26 8.352 -17.923 -32.548 216 HE ARG 26 HE ARG 26 6.175 -17.532 -34.357 217 HH11 ARG 26 2HH2 ARG 26 8.796 -19.805 -33.766 218 HH12 ARG 26 1HH2 ARG 26 7.947 -21.155 -34.442 219 HH21 ARG 26 2HH1 ARG 26 5.056 -19.313 -35.249 220 HH22 ARG 26 1HH1 ARG 26 5.806 -20.874 -35.291 221 H TYR 27 HN TYR 27 6.301 -13.565 -29.702 222 HA TYR 27 HA TYR 27 8.380 -12.650 -28.179 223 HB2 TYR 27 2HB TYR 27 6.264 -11.868 -26.727 224 HB3 TYR 27 3HB TYR 27 6.419 -11.289 -28.374 225 HD1 TYR 27 HD2 TYR 27 5.537 -14.800 -27.848 226 HD2 TYR 27 HD1 TYR 27 3.984 -10.856 -28.429 227 HE1 TYR 27 HE2 TYR 27 3.256 -15.773 -28.407 228 HE2 TYR 27 HE1 TYR 27 1.708 -11.843 -28.987 229 HH TYR 27 HH TYR 27 0.906 -14.089 -29.936 230 H LYS 28 HN LYS 28 5.702 -13.506 -26.099 231 HA LYS 28 HA LYS 28 6.512 -15.923 -25.081 232 HB2 LYS 28 2HB LYS 28 7.712 -15.175 -22.992 233 HB3 LYS 28 3HB LYS 28 8.641 -15.094 -24.475 234 HG2 LYS 28 2HG LYS 28 7.895 -12.620 -24.643 235 HG3 LYS 28 3HG LYS 28 7.311 -12.783 -22.999 236 HD2 LYS 28 2HD LYS 28 10.141 -13.648 -23.627 237 HD3 LYS 28 3HD LYS 28 9.795 -11.935 -23.490 238 HE2 LYS 28 2HE LYS 28 9.974 -12.153 -21.237 239 HE3 LYS 28 3HE LYS 28 8.485 -13.076 -21.263 240 HZ1 LYS 28 3HZ LYS 28 10.126 -14.398 -20.270 241 HZ2 LYS 28 1HZ LYS 28 9.892 -15.042 -21.752 242 HZ3 LYS 28 2HZ LYS 28 11.214 -14.130 -21.457 243 H GLN 29 HN GLN 29 4.498 -16.478 -24.445 244 HA GLN 29 HA GLN 29 2.612 -14.600 -23.673 245 HB2 GLN 29 2HB GLN 29 2.195 -16.929 -24.603 246 HB3 GLN 29 3HB GLN 29 2.607 -17.580 -23.029 247 HG2 GLN 29 2HG GLN 29 0.787 -15.847 -22.150 248 HG3 GLN 29 3HG GLN 29 0.224 -15.883 -23.809 249 HE21 GLN 29 1HE2 GLN 29 -1.648 -16.710 -22.429 250 HE22 GLN 29 2HE2 GLN 29 -1.804 -18.428 -22.270 251 H ILE 30 HN ILE 30 2.254 -13.561 -21.754 252 HA ILE 30 HA ILE 30 3.178 -14.865 -19.315 253 HB ILE 30 HB ILE 30 3.896 -12.035 -20.088 254 HG12 ILE 30 2HG1 ILE 30 5.180 -13.872 -21.252 255 HG13 ILE 30 3HG1 ILE 30 6.138 -12.737 -20.321 256 HG21 ILE 30 1HG2 ILE 30 3.959 -13.534 -17.522 257 HG22 ILE 30 2HG2 ILE 30 5.367 -12.514 -17.904 258 HG23 ILE 30 3HG2 ILE 30 3.739 -11.797 -17.839 259 HD11 ILE 30 3HD1 ILE 30 5.238 -15.497 -19.372 260 HD12 ILE 30 1HD1 ILE 30 6.882 -15.051 -19.888 261 HD13 ILE 30 2HD1 ILE 30 6.191 -14.343 -18.409 262 H GLY 31 HN GLY 31 0.612 -14.041 -20.953 263 HA2 GLY 31 1HA GLY 31 -1.256 -13.923 -19.095 264 HA3 GLY 31 2HA GLY 31 -0.671 -12.274 -19.011 265 H THR 32 HN THR 32 -3.266 -12.491 -19.715 266 HA THR 32 HA THR 32 -3.218 -11.622 -22.483 267 HB THR 32 HB THR 32 -5.388 -13.225 -22.665 268 HG1 THR 32 HG1 THR 32 -3.447 -14.546 -20.905 269 HG21 THR 32 3HG2 THR 32 -3.429 -13.467 -24.178 270 HG22 THR 32 1HG2 THR 32 -2.498 -14.227 -22.864 271 HG23 THR 32 2HG2 THR 32 -3.913 -15.061 -23.550 272 H CYS 33 HN CYS 33 -4.290 -9.760 -22.634 273 HA CYS 33 HA CYS 33 -6.531 -9.393 -20.793 274 HB2 CYS 33 2HB CYS 33 -5.555 -6.850 -21.079 275 HB3 CYS 33 3HB CYS 33 -5.360 -7.880 -19.675 276 H GLY 34 HN GLY 34 -7.607 -7.073 -21.673 277 HA2 GLY 34 1HA GLY 34 -9.044 -6.423 -23.310 278 HA3 GLY 34 2HA GLY 34 -7.545 -6.158 -24.177 279 H LEU 35 HN LEU 35 -8.346 -6.691 -26.253 280 HA LEU 35 HA LEU 35 -9.884 -8.973 -26.762 281 HB2 LEU 35 2HB LEU 35 -8.787 -6.766 -28.187 282 HB3 LEU 35 3HB LEU 35 -8.350 -8.228 -29.049 283 HG LEU 35 HG LEU 35 -10.977 -8.730 -28.595 284 HD11 LEU 35 1HD1 LEU 35 -11.161 -5.846 -29.322 285 HD12 LEU 35 2HD1 LEU 35 -12.331 -6.905 -28.497 286 HD13 LEU 35 3HD1 LEU 35 -10.932 -6.258 -27.605 287 HD21 LEU 35 3HD2 LEU 35 -9.327 -7.857 -30.810 288 HD22 LEU 35 1HD2 LEU 35 -10.691 -9.001 -30.781 289 HD23 LEU 35 2HD2 LEU 35 -10.995 -7.258 -30.974 290 HA PRO 36 HA PRO 36 -6.958 -12.128 -27.207 291 HB2 PRO 36 2HB PRO 36 -7.466 -13.353 -29.597 292 HB3 PRO 36 3HB PRO 36 -8.440 -13.609 -28.163 293 HG2 PRO 36 2HG PRO 36 -9.069 -12.012 -30.570 294 HG3 PRO 36 3HG PRO 36 -10.160 -12.624 -29.342 295 HD2 PRO 36 2HD PRO 36 -9.228 -9.926 -29.618 296 HD3 PRO 36 3HD PRO 36 -10.225 -10.564 -28.325 297 H GLY 37 HN GLY 37 -6.596 -9.444 -28.963 298 HA2 GLY 37 1HA GLY 37 -4.190 -10.426 -30.347 299 HA3 GLY 37 2HA GLY 37 -5.058 -8.940 -30.681 300 H THR 38 HN THR 38 -5.092 -9.154 -27.353 301 HA THR 38 HA THR 38 -2.500 -7.772 -27.109 302 HB THR 38 HB THR 38 -3.884 -6.469 -25.264 303 HG1 THR 38 HG1 THR 38 -5.901 -7.371 -27.189 304 HG21 THR 38 3HG2 THR 38 -4.260 -6.144 -28.277 305 HG22 THR 38 1HG2 THR 38 -4.997 -5.017 -27.113 306 HG23 THR 38 2HG2 THR 38 -3.226 -5.180 -27.195 307 H LYS 39 HN LYS 39 -1.195 -9.254 -26.181 308 HA LYS 39 HA LYS 39 -2.216 -10.426 -23.692 309 HB2 LYS 39 2HB LYS 39 -0.815 -12.449 -24.260 310 HB3 LYS 39 3HB LYS 39 -2.268 -12.232 -25.214 311 HG2 LYS 39 2HG LYS 39 -0.795 -12.598 -26.955 312 HG3 LYS 39 3HG LYS 39 -0.574 -10.866 -26.812 313 HD2 LYS 39 2HD LYS 39 1.649 -11.568 -26.746 314 HD3 LYS 39 3HD LYS 39 1.288 -11.532 -25.032 315 HE2 LYS 39 2HE LYS 39 0.836 -13.957 -25.023 316 HE3 LYS 39 3HE LYS 39 1.018 -14.034 -26.765 317 HZ1 LYS 39 3HZ LYS 39 3.144 -13.206 -24.912 318 HZ2 LYS 39 1HZ LYS 39 3.013 -14.691 -25.577 319 HZ3 LYS 39 2HZ LYS 39 3.296 -13.394 -26.527 320 H CYS 40 HN CYS 40 -0.279 -11.207 -22.283 321 HA CYS 40 HA CYS 40 1.455 -8.939 -22.063 322 HB2 CYS 40 2HB CYS 40 0.969 -11.398 -20.400 323 HB3 CYS 40 3HB CYS 40 2.341 -10.355 -20.084 324 H CYS 41 HN CYS 41 2.710 -9.150 -24.051 325 HA CYS 41 HA CYS 41 4.417 -11.523 -24.116 326 HB2 CYS 41 2HB CYS 41 4.923 -10.467 -26.483 327 HB3 CYS 41 3HB CYS 41 3.551 -11.520 -26.200 328 H LYS 42 HN LYS 42 6.685 -11.254 -24.002 329 HA LYS 42 HA LYS 42 7.601 -8.481 -23.691 330 HB2 LYS 42 2HB LYS 42 8.614 -10.831 -22.072 331 HB3 LYS 42 3HB LYS 42 9.031 -9.141 -21.876 332 HG2 LYS 42 2HG LYS 42 6.181 -10.194 -21.584 333 HG3 LYS 42 3HG LYS 42 7.287 -10.045 -20.232 334 HD2 LYS 42 2HD LYS 42 7.239 -7.711 -20.256 335 HD3 LYS 42 3HD LYS 42 6.946 -7.622 -21.982 336 HE2 LYS 42 2HE LYS 42 4.975 -6.985 -20.428 337 HE3 LYS 42 3HE LYS 42 4.619 -8.088 -21.742 338 HZ1 LYS 42 3HZ LYS 42 5.335 -9.037 -19.062 339 HZ2 LYS 42 1HZ LYS 42 3.791 -8.743 -19.506 340 HZ3 LYS 42 2HZ LYS 42 4.658 -9.893 -20.277 341 H LYS 43 HN LYS 43 10.243 -8.652 -23.715 342 HA LYS 43 HA LYS 43 11.394 -10.612 -25.314 343 HB2 LYS 43 2HB LYS 43 9.763 -8.839 -26.822 344 HB3 LYS 43 3HB LYS 43 11.427 -8.414 -27.170 345 HG2 LYS 43 2HG LYS 43 10.538 -11.322 -27.167 346 HG3 LYS 43 3HG LYS 43 10.295 -10.314 -28.580 347 HD2 LYS 43 2HD LYS 43 12.609 -10.046 -28.965 348 HD3 LYS 43 3HD LYS 43 13.033 -10.372 -27.296 349 HE2 LYS 43 2HE LYS 43 13.680 -12.361 -28.403 350 HE3 LYS 43 3HE LYS 43 12.121 -12.783 -27.725 351 HZ1 LYS 43 3HZ LYS 43 12.288 -11.669 -30.417 352 HZ2 LYS 43 1HZ LYS 43 12.565 -13.258 -30.167 353 HZ3 LYS 43 2HZ LYS 43 11.120 -12.609 -29.770 354 HA PRO 44 HA PRO 44 14.175 -7.856 -23.158 355 HB2 PRO 44 2HB PRO 44 15.685 -9.796 -21.965 356 HB3 PRO 44 3HB PRO 44 14.290 -9.062 -21.200 357 HG2 PRO 44 2HG PRO 44 14.536 -11.742 -22.422 358 HG3 PRO 44 3HG PRO 44 13.325 -11.155 -21.300 359 HD2 PRO 44 2HD PRO 44 13.008 -11.531 -24.126 360 HD3 PRO 44 3HD PRO 44 11.837 -10.836 -23.023 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 1.365 0.918 -1.085 2 HA2 GLY 1 1HA GLY 1 0.482 -1.066 -1.753 3 HA3 GLY 1 2HA GLY 1 -1.007 -0.143 -1.699 4 H ILE 2 HN ILE 2 1.818 -0.799 -3.888 5 HA ILE 2 HA ILE 2 -0.113 -0.949 -6.087 6 HB ILE 2 HB ILE 2 1.681 0.101 -7.521 7 HG12 ILE 2 2HG1 ILE 2 2.798 1.649 -5.315 8 HG13 ILE 2 3HG1 ILE 2 3.198 -0.052 -5.181 9 HG21 ILE 2 1HG2 ILE 2 0.486 1.928 -5.426 10 HG22 ILE 2 2HG2 ILE 2 0.894 2.314 -7.115 11 HG23 ILE 2 3HG2 ILE 2 -0.444 1.196 -6.756 12 HD11 ILE 2 3HD1 ILE 2 3.436 1.072 -7.933 13 HD12 ILE 2 1HD1 ILE 2 4.586 1.720 -6.740 14 HD13 ILE 2 2HD1 ILE 2 4.523 -0.030 -7.056 15 H ILE 3 HN ILE 3 0.278 -3.257 -5.005 16 HA ILE 3 HA ILE 3 2.751 -4.464 -5.841 17 HB ILE 3 HB ILE 3 0.254 -5.594 -4.575 18 HG12 ILE 3 2HG1 ILE 3 1.538 -3.933 -3.217 19 HG13 ILE 3 3HG1 ILE 3 1.431 -5.531 -2.505 20 HG21 ILE 3 1HG2 ILE 3 1.449 -7.625 -4.202 21 HG22 ILE 3 2HG2 ILE 3 1.560 -7.244 -5.937 22 HG23 ILE 3 3HG2 ILE 3 2.950 -6.937 -4.869 23 HD11 ILE 3 3HD1 ILE 3 3.784 -5.202 -4.274 24 HD12 ILE 3 1HD1 ILE 3 3.780 -4.108 -2.869 25 HD13 ILE 3 2HD1 ILE 3 3.685 -5.869 -2.627 26 H ASN 4 HN ASN 4 -0.531 -5.837 -6.364 27 HA ASN 4 HA ASN 4 -1.571 -6.479 -8.166 28 HB2 ASN 4 2HB ASN 4 0.509 -5.308 -10.045 29 HB3 ASN 4 3HB ASN 4 -1.220 -5.450 -10.289 30 HD21 ASN 4 1HD2 ASN 4 0.424 -3.127 -10.598 31 HD22 ASN 4 2HD2 ASN 4 -0.144 -1.905 -9.510 32 H THR 5 HN THR 5 -1.279 -8.724 -8.253 33 HA THR 5 HA THR 5 1.356 -9.761 -8.951 34 HB THR 5 HB THR 5 -1.231 -11.010 -7.889 35 HG1 THR 5 HG1 THR 5 1.483 -10.566 -6.859 36 HG21 THR 5 3HG2 THR 5 0.389 -12.941 -7.345 37 HG22 THR 5 1HG2 THR 5 -0.070 -12.797 -9.059 38 HG23 THR 5 2HG2 THR 5 1.515 -12.204 -8.509 39 H LEU 6 HN LEU 6 1.904 -10.180 -10.987 40 HA LEU 6 HA LEU 6 0.434 -9.826 -13.177 41 HB2 LEU 6 2HB LEU 6 2.892 -10.498 -12.865 42 HB3 LEU 6 3HB LEU 6 2.329 -12.154 -12.974 43 HG LEU 6 HG LEU 6 1.482 -10.294 -15.145 44 HD11 LEU 6 1HD1 LEU 6 3.495 -10.060 -16.192 45 HD12 LEU 6 2HD1 LEU 6 4.038 -10.007 -14.498 46 HD13 LEU 6 3HD1 LEU 6 4.192 -11.512 -15.436 47 HD21 LEU 6 3HD2 LEU 6 0.773 -12.667 -15.055 48 HD22 LEU 6 1HD2 LEU 6 1.694 -12.263 -16.523 49 HD23 LEU 6 2HD2 LEU 6 2.479 -13.155 -15.197 50 H GLN 7 HN GLN 7 -1.474 -10.556 -13.930 51 HA GLN 7 HA GLN 7 -2.186 -13.280 -13.164 52 HB2 GLN 7 2HB GLN 7 -3.556 -11.556 -11.981 53 HB3 GLN 7 3HB GLN 7 -4.066 -10.904 -13.525 54 HG2 GLN 7 2HG GLN 7 -5.690 -12.475 -13.714 55 HG3 GLN 7 3HG GLN 7 -4.518 -13.767 -13.544 56 HE21 GLN 7 1HE2 GLN 7 -7.070 -13.961 -12.550 57 HE22 GLN 7 2HE2 GLN 7 -7.052 -13.994 -10.818 58 H LYS 8 HN LYS 8 -3.230 -10.672 -15.486 59 HA LYS 8 HA LYS 8 -2.359 -11.800 -17.787 60 HB2 LYS 8 2HB LYS 8 -4.698 -12.821 -18.527 61 HB3 LYS 8 3HB LYS 8 -3.449 -13.795 -17.778 62 HG2 LYS 8 2HG LYS 8 -4.782 -14.241 -15.998 63 HG3 LYS 8 3HG LYS 8 -5.017 -12.532 -15.688 64 HD2 LYS 8 2HD LYS 8 -6.595 -13.005 -17.968 65 HD3 LYS 8 3HD LYS 8 -6.818 -14.456 -17.012 66 HE2 LYS 8 2HE LYS 8 -7.751 -13.282 -15.186 67 HE3 LYS 8 3HE LYS 8 -6.987 -11.769 -15.630 68 HZ1 LYS 8 3HZ LYS 8 -8.478 -12.099 -17.730 69 HZ2 LYS 8 1HZ LYS 8 -9.389 -12.976 -16.696 70 HZ3 LYS 8 2HZ LYS 8 -9.067 -11.407 -16.373 71 H TYR 9 HN TYR 9 -5.827 -11.036 -17.120 72 HA TYR 9 HA TYR 9 -6.161 -9.209 -19.085 73 HB2 TYR 9 2HB TYR 9 -8.084 -8.540 -17.711 74 HB3 TYR 9 3HB TYR 9 -7.792 -10.227 -17.338 75 HD1 TYR 9 HD1 TYR 9 -5.488 -10.049 -15.472 76 HD2 TYR 9 HD2 TYR 9 -9.009 -7.636 -15.761 77 HE1 TYR 9 HE1 TYR 9 -5.300 -9.466 -13.004 78 HE2 TYR 9 HE2 TYR 9 -8.809 -7.061 -13.292 79 HH TYR 9 HH TYR 9 -7.540 -8.528 -11.200 80 H TYR 10 HN TYR 10 -4.180 -8.861 -16.233 81 HA TYR 10 HA TYR 10 -3.584 -6.132 -17.049 82 HB2 TYR 10 2HB TYR 10 -4.230 -5.242 -14.941 83 HB3 TYR 10 3HB TYR 10 -5.419 -6.521 -15.089 84 HD1 TYR 10 HD1 TYR 10 -3.423 -8.842 -14.559 85 HD2 TYR 10 HD2 TYR 10 -4.197 -5.148 -12.544 86 HE1 TYR 10 HE1 TYR 10 -2.603 -9.853 -12.376 87 HE2 TYR 10 HE2 TYR 10 -3.374 -6.171 -10.367 88 HH TYR 10 HH TYR 10 -3.291 -8.754 -9.512 89 H CYS 11 HN CYS 11 -2.415 -9.059 -16.833 90 HA CYS 11 HA CYS 11 -0.524 -9.307 -14.957 91 HB2 CYS 11 2HB CYS 11 -0.104 -11.072 -16.211 92 HB3 CYS 11 3HB CYS 11 -1.012 -10.379 -17.539 93 H ARG 12 HN ARG 12 -0.695 -6.956 -17.607 94 HA ARG 12 HA ARG 12 1.859 -5.908 -16.681 95 HB2 ARG 12 2HB ARG 12 0.747 -6.237 -19.473 96 HB3 ARG 12 3HB ARG 12 1.773 -4.851 -19.162 97 HG2 ARG 12 2HG ARG 12 2.700 -7.571 -18.222 98 HG3 ARG 12 3HG ARG 12 2.813 -7.194 -19.930 99 HD2 ARG 12 2HD ARG 12 4.221 -5.247 -19.489 100 HD3 ARG 12 3HD ARG 12 3.940 -5.361 -17.763 101 HE ARG 12 HE ARG 12 5.038 -7.848 -18.657 102 HH11 ARG 12 2HH2 ARG 12 5.990 -4.490 -18.209 103 HH12 ARG 12 1HH2 ARG 12 7.661 -4.865 -17.945 104 HH21 ARG 12 2HH1 ARG 12 7.241 -8.344 -18.309 105 HH22 ARG 12 1HH1 ARG 12 8.377 -7.072 -18.002 106 H VAL 13 HN VAL 13 0.391 -4.721 -15.112 107 HA VAL 13 HA VAL 13 -1.481 -2.854 -16.176 108 HB VAL 13 HB VAL 13 -0.363 -3.569 -13.498 109 HG11 VAL 13 1HG1 VAL 13 -0.312 -1.293 -13.093 110 HG12 VAL 13 2HG1 VAL 13 -1.638 -0.949 -14.230 111 HG13 VAL 13 3HG1 VAL 13 -1.990 -1.684 -12.647 112 HG21 VAL 13 3HG2 VAL 13 -2.199 -4.881 -13.874 113 HG22 VAL 13 1HG2 VAL 13 -3.007 -3.469 -13.152 114 HG23 VAL 13 2HG2 VAL 13 -2.989 -3.677 -14.920 115 H ARG 14 HN ARG 14 1.886 -2.724 -14.872 116 HA ARG 14 HA ARG 14 2.328 -0.143 -14.679 117 HB2 ARG 14 2HB ARG 14 3.960 -2.461 -15.580 118 HB3 ARG 14 3HB ARG 14 4.604 -0.916 -16.097 119 HG2 ARG 14 2HG ARG 14 3.807 -0.563 -13.376 120 HG3 ARG 14 3HG ARG 14 4.630 -2.109 -13.439 121 HD2 ARG 14 2HD ARG 14 5.891 0.231 -14.876 122 HD3 ARG 14 3HD ARG 14 5.992 0.186 -13.127 123 HE ARG 14 HE ARG 14 6.719 -2.393 -14.125 124 HH11 ARG 14 2HH2 ARG 14 7.939 0.907 -14.069 125 HH12 ARG 14 1HH2 ARG 14 9.602 0.430 -14.168 126 HH21 ARG 14 2HH1 ARG 14 8.911 -3.023 -14.255 127 HH22 ARG 14 1HH1 ARG 14 10.158 -1.821 -14.274 128 H GLY 15 HN GLY 15 3.364 -1.721 -17.781 129 HA2 GLY 15 1HA GLY 15 3.041 0.744 -19.224 130 HA3 GLY 15 2HA GLY 15 3.575 -0.804 -19.847 131 H ALA 16 HN ALA 16 1.983 -2.435 -20.474 132 HA ALA 16 HA ALA 16 -0.766 -1.451 -20.605 133 HB1 ALA 16 1HB ALA 16 0.055 -0.786 -22.734 134 HB2 ALA 16 2HB ALA 16 1.005 -2.280 -22.924 135 HB3 ALA 16 3HB ALA 16 -0.771 -2.336 -23.022 136 H ILE 17 HN ILE 17 -2.194 -3.015 -20.001 137 HA ILE 17 HA ILE 17 -1.527 -5.317 -18.831 138 HB ILE 17 HB ILE 17 -3.755 -5.975 -19.006 139 HG12 ILE 17 2HG1 ILE 17 -3.750 -5.989 -21.540 140 HG13 ILE 17 3HG1 ILE 17 -5.254 -5.532 -20.766 141 HG21 ILE 17 1HG2 ILE 17 -4.054 -3.017 -19.471 142 HG22 ILE 17 2HG2 ILE 17 -4.927 -4.080 -18.341 143 HG23 ILE 17 3HG2 ILE 17 -3.231 -3.644 -18.023 144 HD11 ILE 17 3HD1 ILE 17 -3.213 -3.449 -21.634 145 HD12 ILE 17 1HD1 ILE 17 -4.472 -4.059 -22.734 146 HD13 ILE 17 2HD1 ILE 17 -4.931 -3.205 -21.241 147 H CYS 18 HN CYS 18 -1.892 -4.780 -22.365 148 HA CYS 18 HA CYS 18 -0.364 -7.209 -22.762 149 HB2 CYS 18 2HB CYS 18 -1.911 -7.916 -24.606 150 HB3 CYS 18 3HB CYS 18 -2.502 -8.152 -22.974 151 H HIS 19 HN HIS 19 0.452 -7.267 -25.108 152 HA HIS 19 HA HIS 19 1.707 -4.970 -25.778 153 HB2 HIS 19 2HB HIS 19 2.277 -7.173 -26.660 154 HB3 HIS 19 3HB HIS 19 0.802 -7.213 -27.604 155 HD1 HIS 19 HD1 HIS 19 0.773 -4.541 -29.023 156 HD2 HIS 19 HD2 HIS 19 4.283 -6.768 -28.460 157 HE1 HIS 19 HE1 HIS 19 2.412 -3.757 -30.814 158 HE2 HIS 19 HE2 HIS 19 4.568 -5.121 -30.384 159 HA PRO 20 HA PRO 20 -1.383 -2.426 -27.446 160 HB2 PRO 20 2HB PRO 20 0.188 -0.466 -28.521 161 HB3 PRO 20 3HB PRO 20 -0.243 -0.525 -26.824 162 HG2 PRO 20 2HG PRO 20 2.335 -1.196 -28.106 163 HG3 PRO 20 3HG PRO 20 2.007 -0.840 -26.422 164 HD2 PRO 20 2HD PRO 20 2.463 -3.428 -27.572 165 HD3 PRO 20 3HD PRO 20 2.020 -3.081 -25.912 166 H VAL 21 HN VAL 21 -2.630 -2.133 -29.255 167 HA VAL 21 HA VAL 21 -3.131 -2.230 -31.421 168 HB VAL 21 HB VAL 21 -0.293 -2.950 -32.111 169 HG11 VAL 21 1HG1 VAL 21 -1.099 -1.239 -34.021 170 HG12 VAL 21 2HG1 VAL 21 -1.407 -2.991 -34.098 171 HG13 VAL 21 3HG1 VAL 21 -2.685 -1.887 -33.535 172 HG21 VAL 21 3HG2 VAL 21 -1.299 -0.435 -30.926 173 HG22 VAL 21 1HG2 VAL 21 0.355 -1.089 -31.009 174 HG23 VAL 21 2HG2 VAL 21 -0.337 -0.239 -32.411 175 H PHE 22 HN PHE 22 -0.606 -4.713 -30.600 176 HA PHE 22 HA PHE 22 -2.544 -6.784 -30.738 177 HB2 PHE 22 2HB PHE 22 -1.876 -7.761 -32.809 178 HB3 PHE 22 3HB PHE 22 -1.774 -6.055 -33.195 179 HD1 PHE 22 HD1 PHE 22 0.823 -5.671 -31.468 180 HD2 PHE 22 HD2 PHE 22 -0.300 -8.390 -34.526 181 HE1 PHE 22 HE1 PHE 22 3.235 -5.956 -32.100 182 HE2 PHE 22 HE2 PHE 22 2.113 -8.676 -35.158 183 HZ PHE 22 HZ PHE 22 3.851 -7.455 -33.937 184 H CYS 23 HN CYS 23 -0.598 -8.880 -31.427 185 HA CYS 23 HA CYS 23 1.497 -8.475 -29.462 186 HB2 CYS 23 2HB CYS 23 -0.864 -9.872 -28.821 187 HB3 CYS 23 3HB CYS 23 0.355 -11.101 -29.093 188 HA PRO 24 HA PRO 24 3.433 -10.671 -32.720 189 HB2 PRO 24 2HB PRO 24 5.955 -10.805 -31.677 190 HB3 PRO 24 3HB PRO 24 5.347 -9.404 -32.537 191 HG2 PRO 24 2HG PRO 24 5.759 -9.760 -29.632 192 HG3 PRO 24 3HG PRO 24 5.566 -8.274 -30.539 193 HD2 PRO 24 2HD PRO 24 3.587 -9.555 -28.906 194 HD3 PRO 24 3HD PRO 24 3.361 -8.133 -29.905 195 H ARG 25 HN ARG 25 5.673 -12.434 -32.277 196 HA ARG 25 HA ARG 25 4.289 -14.494 -30.772 197 HB2 ARG 25 2HB ARG 25 5.033 -14.497 -33.650 198 HB3 ARG 25 3HB ARG 25 5.595 -15.918 -32.792 199 HG2 ARG 25 2HG ARG 25 3.504 -16.788 -32.814 200 HG3 ARG 25 3HG ARG 25 2.902 -15.409 -31.916 201 HD2 ARG 25 2HD ARG 25 2.628 -14.131 -34.051 202 HD3 ARG 25 3HD ARG 25 3.245 -15.501 -34.954 203 HE ARG 25 HE ARG 25 1.168 -16.616 -33.518 204 HH11 ARG 25 2HH2 ARG 25 1.407 -13.807 -35.623 205 HH12 ARG 25 1HH2 ARG 25 -0.241 -13.900 -36.148 206 HH21 ARG 25 2HH1 ARG 25 -1.007 -16.739 -34.210 207 HH22 ARG 25 1HH1 ARG 25 -1.623 -15.579 -35.338 208 H ARG 26 HN ARG 26 5.812 -16.308 -30.090 209 HA ARG 26 HA ARG 26 7.681 -17.089 -29.319 210 HB2 ARG 26 2HB ARG 26 8.599 -15.568 -31.599 211 HB3 ARG 26 3HB ARG 26 9.746 -15.313 -30.299 212 HG2 ARG 26 2HG ARG 26 10.653 -17.297 -30.981 213 HG3 ARG 26 3HG ARG 26 9.341 -18.029 -30.079 214 HD2 ARG 26 2HD ARG 26 8.349 -17.267 -32.699 215 HD3 ARG 26 3HD ARG 26 9.833 -18.174 -32.906 216 HE ARG 26 HE ARG 26 7.296 -19.231 -32.010 217 HH11 ARG 26 2HH2 ARG 26 10.767 -19.601 -31.568 218 HH12 ARG 26 1HH2 ARG 26 10.659 -21.263 -31.092 219 HH21 ARG 26 2HH1 ARG 26 7.152 -21.423 -31.382 220 HH22 ARG 26 1HH1 ARG 26 8.588 -22.306 -30.986 221 H TYR 27 HN TYR 27 6.610 -13.884 -28.942 222 HA TYR 27 HA TYR 27 8.458 -12.561 -27.465 223 HB2 TYR 27 2HB TYR 27 6.171 -11.910 -26.174 224 HB3 TYR 27 3HB TYR 27 6.385 -11.455 -27.853 225 HD1 TYR 27 HD2 TYR 27 5.815 -14.973 -26.931 226 HD2 TYR 27 HD1 TYR 27 3.980 -11.339 -28.246 227 HE1 TYR 27 HE2 TYR 27 3.707 -16.253 -27.551 228 HE2 TYR 27 HE1 TYR 27 1.878 -12.631 -28.861 229 HH TYR 27 HH TYR 27 1.341 -14.987 -29.508 230 H LYS 28 HN LYS 28 5.775 -13.579 -25.421 231 HA LYS 28 HA LYS 28 6.925 -15.661 -24.038 232 HB2 LYS 28 2HB LYS 28 8.081 -13.036 -23.343 233 HB3 LYS 28 3HB LYS 28 7.491 -13.949 -21.969 234 HG2 LYS 28 2HG LYS 28 9.170 -15.484 -22.127 235 HG3 LYS 28 3HG LYS 28 8.949 -15.673 -23.855 236 HD2 LYS 28 2HD LYS 28 11.023 -14.673 -23.935 237 HD3 LYS 28 3HD LYS 28 10.071 -13.203 -23.869 238 HE2 LYS 28 2HE LYS 28 11.456 -12.735 -22.085 239 HE3 LYS 28 3HE LYS 28 10.264 -13.668 -21.202 240 HZ1 LYS 28 3HZ LYS 28 12.600 -14.366 -20.889 241 HZ2 LYS 28 1HZ LYS 28 11.608 -15.573 -21.366 242 HZ3 LYS 28 2HZ LYS 28 12.631 -14.885 -22.437 243 H GLN 29 HN GLN 29 4.791 -16.361 -23.944 244 HA GLN 29 HA GLN 29 2.680 -14.723 -23.248 245 HB2 GLN 29 2HB GLN 29 2.522 -16.960 -24.388 246 HB3 GLN 29 3HB GLN 29 2.918 -17.741 -22.870 247 HG2 GLN 29 2HG GLN 29 0.695 -15.778 -22.660 248 HG3 GLN 29 3HG GLN 29 0.348 -17.125 -23.726 249 HE21 GLN 29 1HE2 GLN 29 -0.843 -16.498 -21.190 250 HE22 GLN 29 2HE2 GLN 29 -0.571 -17.830 -20.118 251 H ILE 30 HN ILE 30 2.733 -13.529 -21.363 252 HA ILE 30 HA ILE 30 3.381 -15.012 -18.913 253 HB ILE 30 HB ILE 30 3.637 -12.080 -19.584 254 HG12 ILE 30 2HG1 ILE 30 5.501 -13.077 -20.513 255 HG13 ILE 30 3HG1 ILE 30 6.075 -12.661 -18.911 256 HG21 ILE 30 1HG2 ILE 30 3.274 -13.380 -17.021 257 HG22 ILE 30 2HG2 ILE 30 4.858 -12.572 -17.116 258 HG23 ILE 30 3HG2 ILE 30 3.368 -11.648 -17.422 259 HD11 ILE 30 3HD1 ILE 30 5.257 -15.072 -18.239 260 HD12 ILE 30 1HD1 ILE 30 5.295 -15.380 -19.992 261 HD13 ILE 30 2HD1 ILE 30 6.781 -14.897 -19.141 262 H GLY 31 HN GLY 31 0.934 -13.363 -20.772 263 HA2 GLY 31 1HA GLY 31 -1.104 -14.114 -18.938 264 HA3 GLY 31 2HA GLY 31 -0.775 -12.397 -18.824 265 H THR 32 HN THR 32 -3.148 -12.425 -19.628 266 HA THR 32 HA THR 32 -3.077 -11.895 -22.463 267 HB THR 32 HB THR 32 -5.336 -13.518 -22.327 268 HG1 THR 32 HG1 THR 32 -4.719 -15.252 -20.981 269 HG21 THR 32 3HG2 THR 32 -3.603 -13.640 -24.131 270 HG22 THR 32 1HG2 THR 32 -2.476 -14.403 -22.985 271 HG23 THR 32 2HG2 THR 32 -3.959 -15.256 -23.477 272 H CYS 33 HN CYS 33 -4.613 -10.407 -23.114 273 HA CYS 33 HA CYS 33 -6.457 -9.565 -21.003 274 HB2 CYS 33 2HB CYS 33 -5.769 -7.439 -20.992 275 HB3 CYS 33 3HB CYS 33 -4.260 -8.125 -21.561 276 H GLY 34 HN GLY 34 -8.053 -7.813 -22.241 277 HA2 GLY 34 1HA GLY 34 -9.652 -9.257 -23.954 278 HA3 GLY 34 2HA GLY 34 -9.648 -7.511 -23.797 279 H LEU 35 HN LEU 35 -10.254 -7.802 -26.205 280 HA LEU 35 HA LEU 35 -9.711 -7.478 -28.320 281 HB2 LEU 35 2HB LEU 35 -7.008 -6.879 -27.125 282 HB3 LEU 35 3HB LEU 35 -7.338 -6.745 -28.841 283 HG LEU 35 HG LEU 35 -8.947 -5.248 -26.763 284 HD11 LEU 35 1HD1 LEU 35 -6.199 -4.804 -27.559 285 HD12 LEU 35 2HD1 LEU 35 -7.230 -3.426 -28.015 286 HD13 LEU 35 3HD1 LEU 35 -7.180 -3.978 -26.324 287 HD21 LEU 35 3HD2 LEU 35 -9.835 -4.009 -28.505 288 HD22 LEU 35 1HD2 LEU 35 -8.506 -4.417 -29.617 289 HD23 LEU 35 2HD2 LEU 35 -9.732 -5.641 -29.210 290 HA PRO 36 HA PRO 36 -8.507 -11.508 -29.397 291 HB2 PRO 36 2HB PRO 36 -9.233 -11.438 -32.031 292 HB3 PRO 36 3HB PRO 36 -10.362 -11.778 -30.735 293 HG2 PRO 36 2HG PRO 36 -10.049 -9.302 -32.318 294 HG3 PRO 36 3HG PRO 36 -11.409 -9.813 -31.339 295 HD2 PRO 36 2HD PRO 36 -9.437 -7.849 -30.646 296 HD3 PRO 36 3HD PRO 36 -10.728 -8.444 -29.621 297 H GLY 37 HN GLY 37 -6.303 -11.462 -28.996 298 HA2 GLY 37 1HA GLY 37 -4.403 -12.123 -30.406 299 HA3 GLY 37 2HA GLY 37 -4.755 -10.732 -31.411 300 H THR 38 HN THR 38 -5.436 -10.079 -28.097 301 HA THR 38 HA THR 38 -2.826 -8.737 -27.834 302 HB THR 38 HB THR 38 -5.237 -7.827 -26.289 303 HG1 THR 38 HG1 THR 38 -6.084 -8.272 -28.433 304 HG21 THR 38 3HG2 THR 38 -3.527 -6.137 -28.128 305 HG22 THR 38 1HG2 THR 38 -4.287 -5.693 -26.581 306 HG23 THR 38 2HG2 THR 38 -2.821 -6.701 -26.595 307 H LYS 39 HN LYS 39 -1.573 -10.144 -26.705 308 HA LYS 39 HA LYS 39 -2.736 -11.080 -24.174 309 HB2 LYS 39 2HB LYS 39 -1.142 -12.998 -24.365 310 HB3 LYS 39 3HB LYS 39 -2.416 -12.985 -25.568 311 HG2 LYS 39 2HG LYS 39 -0.546 -13.412 -26.910 312 HG3 LYS 39 3HG LYS 39 -0.663 -11.669 -27.050 313 HD2 LYS 39 2HD LYS 39 1.661 -12.246 -26.586 314 HD3 LYS 39 3HD LYS 39 1.007 -11.425 -25.182 315 HE2 LYS 39 2HE LYS 39 2.376 -13.719 -24.939 316 HE3 LYS 39 3HE LYS 39 1.047 -13.336 -23.862 317 HZ1 LYS 39 3HZ LYS 39 0.670 -14.835 -26.355 318 HZ2 LYS 39 1HZ LYS 39 0.968 -15.560 -24.923 319 HZ3 LYS 39 2HZ LYS 39 -0.388 -14.673 -25.122 320 H CYS 40 HN CYS 40 -0.859 -11.575 -22.524 321 HA CYS 40 HA CYS 40 0.593 -9.103 -22.327 322 HB2 CYS 40 2HB CYS 40 -0.640 -10.620 -20.481 323 HB3 CYS 40 3HB CYS 40 0.980 -11.272 -20.334 324 H CYS 41 HN CYS 41 2.105 -9.352 -24.116 325 HA CYS 41 HA CYS 41 4.012 -11.539 -23.749 326 HB2 CYS 41 2HB CYS 41 4.694 -10.612 -26.147 327 HB3 CYS 41 3HB CYS 41 3.457 -11.830 -25.907 328 H LYS 42 HN LYS 42 6.269 -11.019 -23.591 329 HA LYS 42 HA LYS 42 6.739 -8.274 -22.756 330 HB2 LYS 42 2HB LYS 42 7.381 -10.216 -21.311 331 HB3 LYS 42 3HB LYS 42 8.538 -10.705 -22.532 332 HG2 LYS 42 2HG LYS 42 8.683 -7.836 -21.681 333 HG3 LYS 42 3HG LYS 42 9.141 -9.013 -20.466 334 HD2 LYS 42 2HD LYS 42 10.349 -9.820 -22.957 335 HD3 LYS 42 3HD LYS 42 10.663 -8.109 -22.748 336 HE2 LYS 42 2HE LYS 42 11.311 -10.337 -20.763 337 HE3 LYS 42 3HE LYS 42 12.462 -9.380 -21.675 338 HZ1 LYS 42 3HZ LYS 42 12.437 -8.204 -19.785 339 HZ2 LYS 42 1HZ LYS 42 11.145 -7.469 -20.461 340 HZ3 LYS 42 2HZ LYS 42 10.927 -8.647 -19.351 341 H LYS 43 HN LYS 43 7.037 -6.948 -24.501 342 HA LYS 43 HA LYS 43 9.423 -7.279 -25.987 343 HB2 LYS 43 2HB LYS 43 8.077 -8.918 -27.208 344 HB3 LYS 43 3HB LYS 43 6.818 -7.729 -27.473 345 HG2 LYS 43 2HG LYS 43 8.069 -7.672 -29.488 346 HG3 LYS 43 3HG LYS 43 8.648 -6.273 -28.605 347 HD2 LYS 43 2HD LYS 43 10.677 -7.241 -29.237 348 HD3 LYS 43 3HD LYS 43 10.464 -7.959 -27.653 349 HE2 LYS 43 2HE LYS 43 9.611 -10.029 -28.609 350 HE3 LYS 43 3HE LYS 43 9.473 -9.311 -30.201 351 HZ1 LYS 43 3HZ LYS 43 11.558 -9.848 -30.579 352 HZ2 LYS 43 1HZ LYS 43 12.089 -9.008 -29.282 353 HZ3 LYS 43 2HZ LYS 43 11.663 -10.576 -29.121 354 HA PRO 44 HA PRO 44 7.709 -3.114 -25.414 355 HB2 PRO 44 2HB PRO 44 9.673 -2.100 -23.806 356 HB3 PRO 44 3HB PRO 44 8.179 -2.771 -23.186 357 HG2 PRO 44 2HG PRO 44 10.886 -3.959 -23.184 358 HG3 PRO 44 3HG PRO 44 9.493 -4.401 -22.217 359 HD2 PRO 44 2HD PRO 44 10.502 -5.796 -24.510 360 HD3 PRO 44 3HD PRO 44 9.044 -6.171 -23.614 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 2.927 -1.497 -7.963 2 HA2 GLY 1 1HA GLY 1 3.627 -2.790 -6.203 3 HA3 GLY 1 2HA GLY 1 4.483 -1.301 -5.858 4 H ILE 2 HN ILE 2 1.518 -3.197 -5.140 5 HA ILE 2 HA ILE 2 1.598 -2.403 -2.429 6 HB ILE 2 HB ILE 2 0.697 -0.335 -3.229 7 HG12 ILE 2 2HG1 ILE 2 -1.767 -1.655 -2.173 8 HG13 ILE 2 3HG1 ILE 2 -0.316 -1.735 -1.193 9 HG21 ILE 2 1HG2 ILE 2 -1.297 -0.133 -4.549 10 HG22 ILE 2 2HG2 ILE 2 -0.165 -1.215 -5.397 11 HG23 ILE 2 3HG2 ILE 2 -1.557 -1.894 -4.519 12 HD11 ILE 2 3HD1 ILE 2 -1.816 0.285 -0.757 13 HD12 ILE 2 1HD1 ILE 2 -0.116 0.674 -1.113 14 HD13 ILE 2 2HD1 ILE 2 -1.357 0.876 -2.372 15 H ILE 3 HN ILE 3 -0.512 -3.566 -5.135 16 HA ILE 3 HA ILE 3 -0.783 -6.083 -3.771 17 HB ILE 3 HB ILE 3 -2.503 -4.759 -2.670 18 HG12 ILE 3 2HG1 ILE 3 -4.334 -6.375 -4.222 19 HG13 ILE 3 3HG1 ILE 3 -2.833 -7.242 -3.970 20 HG21 ILE 3 1HG2 ILE 3 -2.867 -3.611 -5.222 21 HG22 ILE 3 2HG2 ILE 3 -4.381 -4.459 -4.824 22 HG23 ILE 3 3HG2 ILE 3 -3.728 -3.233 -3.711 23 HD11 ILE 3 3HD1 ILE 3 -3.143 -6.250 -1.466 24 HD12 ILE 3 1HD1 ILE 3 -4.851 -6.309 -1.962 25 HD13 ILE 3 2HD1 ILE 3 -3.867 -7.792 -1.980 26 H ASN 4 HN ASN 4 0.651 -5.899 -5.946 27 HA ASN 4 HA ASN 4 -1.182 -6.799 -8.015 28 HB2 ASN 4 2HB ASN 4 1.216 -4.925 -8.333 29 HB3 ASN 4 3HB ASN 4 0.491 -5.759 -9.693 30 HD21 ASN 4 1HD2 ASN 4 0.587 -3.074 -9.703 31 HD22 ASN 4 2HD2 ASN 4 -0.981 -2.369 -9.492 32 H THR 5 HN THR 5 -0.511 -8.792 -8.891 33 HA THR 5 HA THR 5 2.300 -9.545 -8.577 34 HB THR 5 HB THR 5 1.215 -10.493 -6.604 35 HG1 THR 5 HG1 THR 5 2.599 -11.894 -7.973 36 HG21 THR 5 3HG2 THR 5 -0.927 -11.316 -6.574 37 HG22 THR 5 1HG2 THR 5 -1.125 -10.545 -8.166 38 HG23 THR 5 2HG2 THR 5 -0.655 -12.259 -8.059 39 H LEU 6 HN LEU 6 0.167 -8.713 -10.729 40 HA LEU 6 HA LEU 6 0.086 -9.131 -12.915 41 HB2 LEU 6 2HB LEU 6 1.851 -10.097 -13.801 42 HB3 LEU 6 3HB LEU 6 2.364 -10.542 -12.186 43 HG LEU 6 HG LEU 6 1.045 -12.682 -12.445 44 HD11 LEU 6 1HD1 LEU 6 -0.366 -12.887 -14.143 45 HD12 LEU 6 2HD1 LEU 6 0.221 -11.373 -14.873 46 HD13 LEU 6 3HD1 LEU 6 1.025 -12.915 -15.253 47 HD21 LEU 6 3HD2 LEU 6 3.523 -11.938 -13.899 48 HD22 LEU 6 1HD2 LEU 6 3.245 -13.168 -12.643 49 HD23 LEU 6 2HD2 LEU 6 2.779 -13.496 -14.329 50 H GLN 7 HN GLN 7 -1.385 -10.263 -14.299 51 HA GLN 7 HA GLN 7 -2.608 -12.624 -13.250 52 HB2 GLN 7 2HB GLN 7 -4.090 -9.975 -13.383 53 HB3 GLN 7 3HB GLN 7 -4.946 -11.501 -13.475 54 HG2 GLN 7 2HG GLN 7 -3.116 -10.612 -11.196 55 HG3 GLN 7 3HG GLN 7 -4.866 -10.678 -11.139 56 HE21 GLN 7 1HE2 GLN 7 -2.767 -12.050 -9.576 57 HE22 GLN 7 2HE2 GLN 7 -3.096 -13.748 -9.681 58 H LYS 8 HN LYS 8 -3.782 -10.004 -15.473 59 HA LYS 8 HA LYS 8 -2.860 -11.035 -17.833 60 HB2 LYS 8 2HB LYS 8 -5.051 -12.145 -18.641 61 HB3 LYS 8 3HB LYS 8 -3.929 -13.085 -17.678 62 HG2 LYS 8 2HG LYS 8 -5.615 -11.754 -15.803 63 HG3 LYS 8 3HG LYS 8 -6.682 -12.326 -17.070 64 HD2 LYS 8 2HD LYS 8 -6.335 -14.540 -16.554 65 HD3 LYS 8 3HD LYS 8 -4.626 -14.310 -16.245 66 HE2 LYS 8 2HE LYS 8 -4.980 -14.185 -14.005 67 HE3 LYS 8 3HE LYS 8 -6.158 -12.904 -14.210 68 HZ1 LYS 8 3HZ LYS 8 -7.847 -14.367 -14.197 69 HZ2 LYS 8 1HZ LYS 8 -7.009 -15.573 -14.912 70 HZ3 LYS 8 2HZ LYS 8 -6.802 -15.265 -13.321 71 H TYR 9 HN TYR 9 -6.337 -10.373 -17.131 72 HA TYR 9 HA TYR 9 -6.743 -8.502 -19.025 73 HB2 TYR 9 2HB TYR 9 -8.636 -7.876 -17.580 74 HB3 TYR 9 3HB TYR 9 -8.324 -9.573 -17.274 75 HD1 TYR 9 HD1 TYR 9 -6.022 -9.510 -15.443 76 HD2 TYR 9 HD2 TYR 9 -9.469 -6.980 -15.596 77 HE1 TYR 9 HE1 TYR 9 -5.775 -9.010 -12.962 78 HE2 TYR 9 HE2 TYR 9 -9.210 -6.489 -13.115 79 HH TYR 9 HH TYR 9 -7.258 -8.322 -11.110 80 H TYR 10 HN TYR 10 -4.805 -8.146 -16.110 81 HA TYR 10 HA TYR 10 -4.282 -5.379 -16.901 82 HB2 TYR 10 2HB TYR 10 -4.917 -4.611 -14.763 83 HB3 TYR 10 3HB TYR 10 -5.954 -6.023 -14.815 84 HD1 TYR 10 HD1 TYR 10 -3.803 -8.153 -14.443 85 HD2 TYR 10 HD2 TYR 10 -4.528 -4.448 -12.431 86 HE1 TYR 10 HE1 TYR 10 -2.670 -9.057 -12.354 87 HE2 TYR 10 HE2 TYR 10 -3.392 -5.364 -10.349 88 HH TYR 10 HH TYR 10 -3.034 -8.268 -9.625 89 H CYS 11 HN CYS 11 -3.048 -8.345 -16.744 90 HA CYS 11 HA CYS 11 -1.012 -8.527 -15.037 91 HB2 CYS 11 2HB CYS 11 -0.863 -10.318 -16.345 92 HB3 CYS 11 3HB CYS 11 -1.555 -9.488 -17.724 93 H ARG 12 HN ARG 12 0.667 -7.195 -14.448 94 HA ARG 12 HA ARG 12 1.181 -4.926 -16.106 95 HB2 ARG 12 2HB ARG 12 2.120 -5.826 -13.353 96 HB3 ARG 12 3HB ARG 12 2.874 -4.455 -14.144 97 HG2 ARG 12 2HG ARG 12 0.331 -3.677 -14.494 98 HG3 ARG 12 3HG ARG 12 0.042 -4.743 -13.134 99 HD2 ARG 12 2HD ARG 12 1.804 -3.512 -11.819 100 HD3 ARG 12 3HD ARG 12 2.037 -2.425 -13.174 101 HE ARG 12 HE ARG 12 -0.751 -2.627 -12.248 102 HH11 ARG 12 2HH2 ARG 12 2.308 -0.913 -11.951 103 HH12 ARG 12 1HH2 ARG 12 1.588 0.520 -11.296 104 HH21 ARG 12 2HH1 ARG 12 -1.701 -0.737 -11.384 105 HH22 ARG 12 1HH1 ARG 12 -0.708 0.620 -10.972 106 H VAL 13 HN VAL 13 3.509 -4.285 -16.629 107 HA VAL 13 HA VAL 13 5.448 -6.404 -16.622 108 HB VAL 13 HB VAL 13 5.660 -5.999 -19.216 109 HG11 VAL 13 1HG1 VAL 13 4.685 -8.105 -19.573 110 HG12 VAL 13 2HG1 VAL 13 5.170 -8.139 -17.861 111 HG13 VAL 13 3HG1 VAL 13 3.467 -7.862 -18.298 112 HG21 VAL 13 3HG2 VAL 13 2.697 -6.036 -19.245 113 HG22 VAL 13 1HG2 VAL 13 3.445 -4.474 -18.833 114 HG23 VAL 13 2HG2 VAL 13 3.851 -5.278 -20.368 115 H ARG 14 HN ARG 14 5.504 -4.002 -19.188 116 HA ARG 14 HA ARG 14 6.937 -2.171 -17.484 117 HB2 ARG 14 2HB ARG 14 8.149 -3.849 -19.639 118 HB3 ARG 14 3HB ARG 14 8.574 -2.150 -19.718 119 HG2 ARG 14 2HG ARG 14 9.381 -2.195 -17.386 120 HG3 ARG 14 3HG ARG 14 8.836 -3.849 -17.193 121 HD2 ARG 14 2HD ARG 14 10.402 -4.342 -19.274 122 HD3 ARG 14 3HD ARG 14 11.145 -2.808 -18.865 123 HE ARG 14 HE ARG 14 10.888 -4.425 -16.491 124 HH11 ARG 14 2HH2 ARG 14 12.777 -4.157 -19.448 125 HH12 ARG 14 1HH2 ARG 14 14.177 -4.923 -18.775 126 HH21 ARG 14 2HH1 ARG 14 12.735 -5.436 -15.603 127 HH22 ARG 14 1HH1 ARG 14 14.153 -5.656 -16.573 128 H GLY 15 HN GLY 15 5.398 -0.524 -17.825 129 HA2 GLY 15 1HA GLY 15 4.263 1.090 -18.899 130 HA3 GLY 15 2HA GLY 15 5.555 1.068 -20.083 131 H ALA 16 HN ALA 16 2.229 0.409 -19.498 132 HA ALA 16 HA ALA 16 0.612 -0.100 -20.948 133 HB1 ALA 16 1HB ALA 16 2.595 0.623 -22.666 134 HB2 ALA 16 2HB ALA 16 2.378 -1.081 -23.134 135 HB3 ALA 16 3HB ALA 16 0.997 0.041 -23.193 136 H ILE 17 HN ILE 17 -0.620 -1.965 -21.011 137 HA ILE 17 HA ILE 17 0.867 -4.431 -20.454 138 HB ILE 17 HB ILE 17 -0.450 -4.482 -18.682 139 HG12 ILE 17 2HG1 ILE 17 -2.859 -4.849 -20.456 140 HG13 ILE 17 3HG1 ILE 17 -1.578 -6.044 -20.427 141 HG21 ILE 17 1HG2 ILE 17 -2.270 -2.453 -20.009 142 HG22 ILE 17 2HG2 ILE 17 -2.387 -3.008 -18.321 143 HG23 ILE 17 3HG2 ILE 17 -0.949 -2.111 -18.866 144 HD11 ILE 17 3HD1 ILE 17 -2.107 -6.765 -18.311 145 HD12 ILE 17 1HD1 ILE 17 -2.494 -5.124 -17.741 146 HD13 ILE 17 2HD1 ILE 17 -3.689 -6.043 -18.688 147 H CYS 18 HN CYS 18 0.601 -6.234 -21.751 148 HA CYS 18 HA CYS 18 0.123 -7.385 -23.555 149 HB2 CYS 18 2HB CYS 18 -2.064 -7.744 -24.110 150 HB3 CYS 18 3HB CYS 18 -2.226 -7.062 -22.504 151 H HIS 19 HN HIS 19 0.561 -7.211 -25.801 152 HA HIS 19 HA HIS 19 1.578 -4.805 -26.696 153 HB2 HIS 19 2HB HIS 19 2.211 -7.032 -27.541 154 HB3 HIS 19 3HB HIS 19 0.641 -7.200 -28.301 155 HD1 HIS 19 HD1 HIS 19 0.252 -4.593 -29.777 156 HD2 HIS 19 HD2 HIS 19 3.963 -6.537 -29.567 157 HE1 HIS 19 HE1 HIS 19 1.613 -3.753 -31.765 158 HE2 HIS 19 HE2 HIS 19 3.902 -4.941 -31.552 159 HA PRO 20 HA PRO 20 -2.010 -2.712 -27.944 160 HB2 PRO 20 2HB PRO 20 -0.858 -0.644 -29.310 161 HB3 PRO 20 3HB PRO 20 -1.025 -0.666 -27.565 162 HG2 PRO 20 2HG PRO 20 1.398 -1.105 -29.201 163 HG3 PRO 20 3HG PRO 20 1.280 -0.704 -27.499 164 HD2 PRO 20 2HD PRO 20 1.867 -3.279 -28.619 165 HD3 PRO 20 3HD PRO 20 1.635 -2.902 -26.924 166 H VAL 21 HN VAL 21 -3.518 -2.548 -29.587 167 HA VAL 21 HA VAL 21 -4.313 -2.825 -31.644 168 HB VAL 21 HB VAL 21 -1.531 -3.300 -32.694 169 HG11 VAL 21 1HG1 VAL 21 -3.205 -3.694 -34.339 170 HG12 VAL 21 2HG1 VAL 21 -4.110 -2.234 -33.873 171 HG13 VAL 21 3HG1 VAL 21 -2.533 -2.082 -34.684 172 HG21 VAL 21 3HG2 VAL 21 -1.024 -1.320 -31.679 173 HG22 VAL 21 1HG2 VAL 21 -1.809 -0.670 -33.137 174 HG23 VAL 21 2HG2 VAL 21 -2.721 -0.787 -31.613 175 H PHE 22 HN PHE 22 -1.456 -5.021 -31.148 176 HA PHE 22 HA PHE 22 -3.206 -7.267 -30.956 177 HB2 PHE 22 2HB PHE 22 -2.654 -8.274 -33.047 178 HB3 PHE 22 3HB PHE 22 -2.761 -6.586 -33.503 179 HD1 PHE 22 HD1 PHE 22 -0.055 -5.875 -32.076 180 HD2 PHE 22 HD2 PHE 22 -1.203 -8.836 -34.891 181 HE1 PHE 22 HE1 PHE 22 2.298 -5.961 -32.945 182 HE2 PHE 22 HE2 PHE 22 1.150 -8.922 -35.760 183 HZ PHE 22 HZ PHE 22 2.873 -7.483 -34.777 184 H CYS 23 HN CYS 23 -1.519 -9.374 -31.284 185 HA CYS 23 HA CYS 23 0.811 -8.640 -29.665 186 HB2 CYS 23 2HB CYS 23 -1.118 -9.859 -28.478 187 HB3 CYS 23 3HB CYS 23 -0.640 -11.267 -29.405 188 HA PRO 24 HA PRO 24 2.845 -10.669 -32.963 189 HB2 PRO 24 2HB PRO 24 5.390 -10.651 -31.968 190 HB3 PRO 24 3HB PRO 24 4.672 -9.279 -32.787 191 HG2 PRO 24 2HG PRO 24 5.162 -9.663 -29.898 192 HG3 PRO 24 3HG PRO 24 4.852 -8.175 -30.770 193 HD2 PRO 24 2HD PRO 24 2.995 -9.621 -29.130 194 HD3 PRO 24 3HD PRO 24 2.654 -8.199 -30.095 195 H ARG 25 HN ARG 25 5.240 -12.265 -32.530 196 HA ARG 25 HA ARG 25 3.993 -14.460 -31.097 197 HB2 ARG 25 2HB ARG 25 4.834 -14.348 -33.956 198 HB3 ARG 25 3HB ARG 25 5.413 -15.762 -33.098 199 HG2 ARG 25 2HG ARG 25 3.279 -16.620 -32.768 200 HG3 ARG 25 3HG ARG 25 2.537 -15.037 -32.650 201 HD2 ARG 25 2HD ARG 25 1.932 -16.335 -34.758 202 HD3 ARG 25 3HD ARG 25 2.568 -14.729 -35.051 203 HE ARG 25 HE ARG 25 4.756 -16.578 -35.023 204 HH11 ARG 25 2HH2 ARG 25 1.973 -15.714 -36.996 205 HH12 ARG 25 1HH2 ARG 25 2.698 -16.243 -38.478 206 HH21 ARG 25 2HH1 ARG 25 5.713 -17.276 -36.978 207 HH22 ARG 25 1HH1 ARG 25 4.839 -17.137 -38.467 208 H ARG 26 HN ARG 26 5.643 -16.172 -30.434 209 HA ARG 26 HA ARG 26 7.561 -16.830 -29.665 210 HB2 ARG 26 2HB ARG 26 8.384 -15.193 -31.871 211 HB3 ARG 26 3HB ARG 26 9.444 -14.782 -30.537 212 HG2 ARG 26 2HG ARG 26 9.399 -17.528 -30.311 213 HG3 ARG 26 3HG ARG 26 9.196 -17.349 -32.043 214 HD2 ARG 26 2HD ARG 26 11.592 -17.483 -31.529 215 HD3 ARG 26 3HD ARG 26 11.228 -15.874 -32.120 216 HE ARG 26 HE ARG 26 10.967 -15.909 -29.257 217 HH11 ARG 26 2HH2 ARG 26 13.420 -16.007 -31.778 218 HH12 ARG 26 1HH2 ARG 26 14.651 -15.300 -30.786 219 HH21 ARG 26 2HH1 ARG 26 12.591 -14.976 -27.947 220 HH22 ARG 26 1HH1 ARG 26 14.176 -14.709 -28.592 221 H TYR 27 HN TYR 27 6.205 -13.749 -29.175 222 HA TYR 27 HA TYR 27 7.920 -12.377 -27.563 223 HB2 TYR 27 2HB TYR 27 5.554 -11.863 -26.389 224 HB3 TYR 27 3HB TYR 27 5.802 -11.383 -28.056 225 HD1 TYR 27 HD2 TYR 27 5.416 -14.942 -27.247 226 HD2 TYR 27 HD1 TYR 27 3.380 -11.382 -28.466 227 HE1 TYR 27 HE2 TYR 27 3.402 -16.325 -27.949 228 HE2 TYR 27 HE1 TYR 27 1.373 -12.777 -29.164 229 HH TYR 27 HH TYR 27 1.208 -15.423 -29.953 230 H LYS 28 HN LYS 28 5.203 -13.532 -25.673 231 HA LYS 28 HA LYS 28 6.099 -15.677 -24.343 232 HB2 LYS 28 2HB LYS 28 7.871 -13.447 -23.785 233 HB3 LYS 28 3HB LYS 28 7.095 -14.003 -22.316 234 HG2 LYS 28 2HG LYS 28 7.724 -16.415 -23.484 235 HG3 LYS 28 3HG LYS 28 9.033 -15.421 -24.092 236 HD2 LYS 28 2HD LYS 28 8.380 -15.160 -21.168 237 HD3 LYS 28 3HD LYS 28 9.134 -16.658 -21.678 238 HE2 LYS 28 2HE LYS 28 11.017 -15.415 -22.693 239 HE3 LYS 28 3HE LYS 28 10.242 -13.885 -22.332 240 HZ1 LYS 28 3HZ LYS 28 11.843 -15.424 -20.670 241 HZ2 LYS 28 1HZ LYS 28 11.166 -13.971 -20.355 242 HZ3 LYS 28 2HZ LYS 28 10.363 -15.344 -19.985 243 H GLN 29 HN GLN 29 3.903 -16.005 -24.064 244 HA GLN 29 HA GLN 29 2.111 -14.100 -23.292 245 HB2 GLN 29 2HB GLN 29 1.583 -16.388 -24.190 246 HB3 GLN 29 3HB GLN 29 2.015 -17.078 -22.639 247 HG2 GLN 29 2HG GLN 29 0.087 -14.841 -22.408 248 HG3 GLN 29 3HG GLN 29 -0.526 -16.173 -23.368 249 HE21 GLN 29 1HE2 GLN 29 -1.247 -15.172 -20.692 250 HE22 GLN 29 2HE2 GLN 29 -1.128 -16.513 -19.604 251 H ILE 30 HN ILE 30 1.748 -12.991 -21.415 252 HA ILE 30 HA ILE 30 2.579 -14.264 -18.920 253 HB ILE 30 HB ILE 30 3.368 -11.500 -19.842 254 HG12 ILE 30 2HG1 ILE 30 5.429 -13.279 -18.770 255 HG13 ILE 30 3HG1 ILE 30 4.647 -13.944 -20.190 256 HG21 ILE 30 1HG2 ILE 30 4.595 -11.805 -17.445 257 HG22 ILE 30 2HG2 ILE 30 3.057 -10.943 -17.685 258 HG23 ILE 30 3HG2 ILE 30 3.052 -12.635 -17.132 259 HD11 ILE 30 3HD1 ILE 30 4.982 -11.609 -21.275 260 HD12 ILE 30 1HD1 ILE 30 6.095 -11.285 -19.924 261 HD13 ILE 30 2HD1 ILE 30 6.429 -12.620 -21.053 262 H GLY 31 HN GLY 31 0.070 -13.385 -20.683 263 HA2 GLY 31 1HA GLY 31 -1.826 -13.237 -18.792 264 HA3 GLY 31 2HA GLY 31 -1.272 -11.576 -18.857 265 H THR 32 HN THR 32 -3.605 -11.250 -19.592 266 HA THR 32 HA THR 32 -3.614 -11.068 -22.467 267 HB THR 32 HB THR 32 -6.028 -12.275 -22.266 268 HG1 THR 32 HG1 THR 32 -5.742 -13.980 -20.635 269 HG21 THR 32 3HG2 THR 32 -3.517 -14.011 -22.192 270 HG22 THR 32 1HG2 THR 32 -5.044 -14.334 -23.049 271 HG23 THR 32 2HG2 THR 32 -3.952 -13.052 -23.628 272 H CYS 33 HN CYS 33 -4.423 -9.144 -23.010 273 HA CYS 33 HA CYS 33 -6.398 -8.003 -21.177 274 HB2 CYS 33 2HB CYS 33 -5.200 -6.186 -20.758 275 HB3 CYS 33 3HB CYS 33 -3.820 -7.090 -21.348 276 H GLY 34 HN GLY 34 -7.289 -5.853 -22.507 277 HA2 GLY 34 1HA GLY 34 -8.816 -5.423 -24.140 278 HA3 GLY 34 2HA GLY 34 -7.383 -5.522 -25.143 279 H LEU 35 HN LEU 35 -8.311 -6.438 -26.998 280 HA LEU 35 HA LEU 35 -10.132 -8.582 -26.876 281 HB2 LEU 35 2HB LEU 35 -8.983 -6.856 -28.828 282 HB3 LEU 35 3HB LEU 35 -8.755 -8.506 -29.373 283 HG LEU 35 HG LEU 35 -11.362 -8.625 -28.638 284 HD11 LEU 35 1HD1 LEU 35 -12.550 -6.688 -28.894 285 HD12 LEU 35 2HD1 LEU 35 -11.051 -6.040 -28.184 286 HD13 LEU 35 3HD1 LEU 35 -11.322 -5.935 -29.940 287 HD21 LEU 35 3HD2 LEU 35 -9.849 -8.511 -31.068 288 HD22 LEU 35 1HD2 LEU 35 -11.395 -9.329 -30.739 289 HD23 LEU 35 2HD2 LEU 35 -11.383 -7.638 -31.293 290 HA PRO 36 HA PRO 36 -7.540 -12.046 -26.822 291 HB2 PRO 36 2HB PRO 36 -8.357 -13.687 -28.849 292 HB3 PRO 36 3HB PRO 36 -9.222 -13.534 -27.333 293 HG2 PRO 36 2HG PRO 36 -9.918 -12.423 -29.982 294 HG3 PRO 36 3HG PRO 36 -10.946 -12.648 -28.581 295 HD2 PRO 36 2HD PRO 36 -9.812 -10.178 -29.498 296 HD3 PRO 36 3HD PRO 36 -10.744 -10.424 -28.035 297 H GLY 37 HN GLY 37 -7.113 -9.850 -29.156 298 HA2 GLY 37 1HA GLY 37 -4.924 -11.340 -30.441 299 HA3 GLY 37 2HA GLY 37 -5.690 -9.880 -31.036 300 H THR 38 HN THR 38 -5.433 -9.411 -27.733 301 HA THR 38 HA THR 38 -2.692 -8.367 -27.918 302 HB THR 38 HB THR 38 -3.943 -6.454 -26.424 303 HG1 THR 38 HG1 THR 38 -6.106 -6.766 -26.759 304 HG21 THR 38 3HG2 THR 38 -2.803 -6.474 -28.932 305 HG22 THR 38 1HG2 THR 38 -4.504 -6.150 -29.347 306 HG23 THR 38 2HG2 THR 38 -3.633 -5.057 -28.245 307 H LYS 39 HN LYS 39 -1.790 -10.009 -26.696 308 HA LYS 39 HA LYS 39 -2.877 -10.216 -23.975 309 HB2 LYS 39 2HB LYS 39 -1.939 -12.464 -23.898 310 HB3 LYS 39 3HB LYS 39 -3.070 -12.303 -25.227 311 HG2 LYS 39 2HG LYS 39 -1.294 -13.364 -26.311 312 HG3 LYS 39 3HG LYS 39 -0.908 -11.686 -26.640 313 HD2 LYS 39 2HD LYS 39 1.009 -11.782 -25.415 314 HD3 LYS 39 3HD LYS 39 0.193 -12.521 -24.052 315 HE2 LYS 39 2HE LYS 39 0.695 -14.683 -24.734 316 HE3 LYS 39 3HE LYS 39 0.601 -14.288 -26.439 317 HZ1 LYS 39 3HZ LYS 39 2.739 -13.659 -26.475 318 HZ2 LYS 39 1HZ LYS 39 2.740 -13.041 -24.963 319 HZ3 LYS 39 2HZ LYS 39 2.869 -14.654 -25.187 320 H CYS 40 HN CYS 40 -1.009 -10.930 -22.375 321 HA CYS 40 HA CYS 40 0.829 -8.789 -22.415 322 HB2 CYS 40 2HB CYS 40 -0.045 -10.837 -20.562 323 HB3 CYS 40 3HB CYS 40 1.698 -10.664 -20.519 324 H CYS 41 HN CYS 41 2.312 -8.873 -24.127 325 HA CYS 41 HA CYS 41 3.951 -11.299 -24.211 326 HB2 CYS 41 2HB CYS 41 4.261 -10.382 -26.713 327 HB3 CYS 41 3HB CYS 41 3.086 -11.598 -26.252 328 H LYS 42 HN LYS 42 6.204 -10.915 -24.247 329 HA LYS 42 HA LYS 42 7.020 -8.327 -23.403 330 HB2 LYS 42 2HB LYS 42 7.980 -10.931 -23.169 331 HB3 LYS 42 3HB LYS 42 9.153 -10.154 -24.214 332 HG2 LYS 42 2HG LYS 42 9.690 -8.492 -22.601 333 HG3 LYS 42 3HG LYS 42 8.195 -8.724 -21.717 334 HD2 LYS 42 2HD LYS 42 9.173 -11.202 -21.375 335 HD3 LYS 42 3HD LYS 42 10.703 -10.404 -21.680 336 HE2 LYS 42 2HE LYS 42 10.326 -8.834 -19.829 337 HE3 LYS 42 3HE LYS 42 8.695 -9.430 -19.596 338 HZ1 LYS 42 3HZ LYS 42 9.874 -11.662 -19.269 339 HZ2 LYS 42 1HZ LYS 42 11.213 -10.766 -18.998 340 HZ3 LYS 42 2HZ LYS 42 9.897 -10.577 -18.049 341 H LYS 43 HN LYS 43 9.438 -7.838 -24.667 342 HA LYS 43 HA LYS 43 10.089 -6.532 -26.358 343 HB2 LYS 43 2HB LYS 43 10.507 -9.023 -26.975 344 HB3 LYS 43 3HB LYS 43 9.244 -8.789 -28.167 345 HG2 LYS 43 2HG LYS 43 10.655 -6.590 -28.761 346 HG3 LYS 43 3HG LYS 43 11.960 -7.476 -27.998 347 HD2 LYS 43 2HD LYS 43 10.240 -8.550 -30.284 348 HD3 LYS 43 3HD LYS 43 11.837 -7.855 -30.482 349 HE2 LYS 43 2HE LYS 43 11.441 -10.150 -28.541 350 HE3 LYS 43 3HE LYS 43 11.559 -10.483 -30.257 351 HZ1 LYS 43 3HZ LYS 43 13.576 -8.709 -29.615 352 HZ2 LYS 43 1HZ LYS 43 13.610 -9.885 -28.483 353 HZ3 LYS 43 2HZ LYS 43 13.724 -10.271 -30.066 354 HA PRO 44 HA PRO 44 6.007 -5.033 -27.538 355 HB2 PRO 44 2HB PRO 44 6.248 -2.515 -26.503 356 HB3 PRO 44 3HB PRO 44 5.513 -3.844 -25.629 357 HG2 PRO 44 2HG PRO 44 8.177 -2.622 -25.245 358 HG3 PRO 44 3HG PRO 44 7.265 -3.635 -24.144 359 HD2 PRO 44 2HD PRO 44 9.506 -4.429 -25.747 360 HD3 PRO 44 3HD PRO 44 8.522 -5.467 -24.735 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -1.133 -1.418 -5.227 2 HA2 GLY 1 1HA GLY 1 -0.953 1.145 -4.428 3 HA3 GLY 1 2HA GLY 1 -0.794 0.283 -2.910 4 H ILE 2 HN ILE 2 0.690 -1.930 -3.366 5 HA ILE 2 HA ILE 2 2.954 -1.210 -5.027 6 HB ILE 2 HB ILE 2 4.563 -1.409 -3.244 7 HG12 ILE 2 2HG1 ILE 2 2.936 -2.913 -1.857 8 HG13 ILE 2 3HG1 ILE 2 4.125 -1.913 -1.046 9 HG21 ILE 2 1HG2 ILE 2 4.112 0.690 -2.066 10 HG22 ILE 2 2HG2 ILE 2 3.718 0.814 -3.797 11 HG23 ILE 2 3HG2 ILE 2 2.414 0.630 -2.599 12 HD11 ILE 2 3HD1 ILE 2 1.194 -1.185 -1.497 13 HD12 ILE 2 1HD1 ILE 2 1.932 -1.671 0.048 14 HD13 ILE 2 2HD1 ILE 2 2.397 -0.132 -0.715 15 H ILE 3 HN ILE 3 4.417 -3.056 -5.371 16 HA ILE 3 HA ILE 3 4.747 -5.175 -5.896 17 HB ILE 3 HB ILE 3 3.266 -5.977 -3.408 18 HG12 ILE 3 2HG1 ILE 3 6.068 -4.822 -3.506 19 HG13 ILE 3 3HG1 ILE 3 4.657 -3.976 -2.900 20 HG21 ILE 3 1HG2 ILE 3 5.896 -7.110 -4.213 21 HG22 ILE 3 2HG2 ILE 3 4.479 -7.893 -3.473 22 HG23 ILE 3 3HG2 ILE 3 4.484 -7.524 -5.215 23 HD11 ILE 3 3HD1 ILE 3 4.424 -5.407 -1.035 24 HD12 ILE 3 1HD1 ILE 3 5.356 -6.714 -1.803 25 HD13 ILE 3 2HD1 ILE 3 6.190 -5.261 -1.201 26 H ASN 4 HN ASN 4 3.717 -5.799 -7.722 27 HA ASN 4 HA ASN 4 1.004 -6.762 -7.358 28 HB2 ASN 4 2HB ASN 4 1.931 -5.099 -9.758 29 HB3 ASN 4 3HB ASN 4 0.313 -5.722 -9.501 30 HD21 ASN 4 1HD2 ASN 4 1.521 -2.975 -9.750 31 HD22 ASN 4 2HD2 ASN 4 0.915 -2.070 -8.403 32 H THR 5 HN THR 5 0.751 -8.796 -8.349 33 HA THR 5 HA THR 5 3.014 -9.742 -9.951 34 HB THR 5 HB THR 5 2.204 -11.965 -9.282 35 HG1 THR 5 HG1 THR 5 0.058 -12.102 -8.704 36 HG21 THR 5 3HG2 THR 5 2.658 -11.861 -6.998 37 HG22 THR 5 1HG2 THR 5 3.209 -10.227 -7.439 38 HG23 THR 5 2HG2 THR 5 1.585 -10.463 -6.749 39 H LEU 6 HN LEU 6 2.870 -9.563 -12.092 40 HA LEU 6 HA LEU 6 0.760 -8.790 -13.542 41 HB2 LEU 6 2HB LEU 6 1.862 -9.605 -15.446 42 HB3 LEU 6 3HB LEU 6 3.105 -9.149 -14.297 43 HG LEU 6 HG LEU 6 3.830 -11.158 -15.297 44 HD11 LEU 6 1HD1 LEU 6 4.185 -11.071 -12.881 45 HD12 LEU 6 2HD1 LEU 6 2.625 -11.885 -12.612 46 HD13 LEU 6 3HD1 LEU 6 3.947 -12.745 -13.437 47 HD21 LEU 6 3HD2 LEU 6 1.866 -13.111 -14.674 48 HD22 LEU 6 1HD2 LEU 6 1.040 -11.755 -15.479 49 HD23 LEU 6 2HD2 LEU 6 2.416 -12.556 -16.273 50 H GLN 7 HN GLN 7 -1.174 -9.576 -14.277 51 HA GLN 7 HA GLN 7 -1.694 -12.363 -13.585 52 HB2 GLN 7 2HB GLN 7 -3.590 -9.975 -13.600 53 HB3 GLN 7 3HB GLN 7 -4.121 -11.633 -13.397 54 HG2 GLN 7 2HG GLN 7 -1.904 -11.080 -11.582 55 HG3 GLN 7 3HG GLN 7 -3.149 -9.863 -11.382 56 HE21 GLN 7 1HE2 GLN 7 -2.098 -12.624 -10.164 57 HE22 GLN 7 2HE2 GLN 7 -3.559 -13.382 -9.622 58 H LYS 8 HN LYS 8 -2.801 -9.681 -15.786 59 HA LYS 8 HA LYS 8 -2.248 -10.935 -18.141 60 HB2 LYS 8 2HB LYS 8 -4.750 -11.607 -18.689 61 HB3 LYS 8 3HB LYS 8 -3.619 -12.748 -17.989 62 HG2 LYS 8 2HG LYS 8 -4.882 -12.945 -16.115 63 HG3 LYS 8 3HG LYS 8 -4.842 -11.213 -15.849 64 HD2 LYS 8 2HD LYS 8 -6.617 -11.470 -18.002 65 HD3 LYS 8 3HD LYS 8 -6.979 -12.882 -17.030 66 HE2 LYS 8 2HE LYS 8 -7.622 -11.600 -15.150 67 HE3 LYS 8 3HE LYS 8 -6.689 -10.204 -15.651 68 HZ1 LYS 8 3HZ LYS 8 -9.302 -11.056 -16.533 69 HZ2 LYS 8 1HZ LYS 8 -8.730 -9.548 -16.278 70 HZ3 LYS 8 2HZ LYS 8 -8.352 -10.343 -17.654 71 H TYR 9 HN TYR 9 -5.530 -9.700 -17.313 72 HA TYR 9 HA TYR 9 -5.721 -7.840 -19.247 73 HB2 TYR 9 2HB TYR 9 -7.423 -6.883 -17.749 74 HB3 TYR 9 3HB TYR 9 -7.365 -8.597 -17.389 75 HD1 TYR 9 HD1 TYR 9 -4.981 -8.821 -15.667 76 HD2 TYR 9 HD2 TYR 9 -8.026 -5.818 -15.762 77 HE1 TYR 9 HE1 TYR 9 -4.541 -8.287 -13.220 78 HE2 TYR 9 HE2 TYR 9 -7.576 -5.294 -13.316 79 HH TYR 9 HH TYR 9 -5.987 -7.294 -11.308 80 H TYR 10 HN TYR 10 -3.595 -7.729 -16.453 81 HA TYR 10 HA TYR 10 -2.629 -5.141 -17.384 82 HB2 TYR 10 2HB TYR 10 -3.030 -4.133 -15.268 83 HB3 TYR 10 3HB TYR 10 -4.398 -5.227 -15.328 84 HD1 TYR 10 HD1 TYR 10 -2.756 -7.809 -14.838 85 HD2 TYR 10 HD2 TYR 10 -2.839 -4.003 -12.884 86 HE1 TYR 10 HE1 TYR 10 -1.979 -8.894 -12.674 87 HE2 TYR 10 HE2 TYR 10 -2.062 -5.101 -10.727 88 HH TYR 10 HH TYR 10 -0.578 -7.683 -10.455 89 H CYS 11 HN CYS 11 -1.877 -8.191 -17.185 90 HA CYS 11 HA CYS 11 0.047 -8.695 -15.391 91 HB2 CYS 11 2HB CYS 11 0.051 -10.515 -16.644 92 HB3 CYS 11 3HB CYS 11 -0.668 -9.661 -17.995 93 H ARG 12 HN ARG 12 0.302 -6.725 -18.413 94 HA ARG 12 HA ARG 12 3.047 -6.173 -17.869 95 HB2 ARG 12 2HB ARG 12 1.475 -6.207 -20.170 96 HB3 ARG 12 3HB ARG 12 1.644 -4.486 -19.882 97 HG2 ARG 12 2HG ARG 12 4.219 -5.760 -19.463 98 HG3 ARG 12 3HG ARG 12 3.578 -6.281 -21.008 99 HD2 ARG 12 2HD ARG 12 3.010 -3.660 -21.264 100 HD3 ARG 12 3HD ARG 12 4.306 -3.497 -20.096 101 HE ARG 12 HE ARG 12 5.854 -4.184 -21.727 102 HH11 ARG 12 2HH2 ARG 12 2.585 -4.865 -22.836 103 HH12 ARG 12 1HH2 ARG 12 3.079 -5.273 -24.446 104 HH21 ARG 12 2HH1 ARG 12 6.506 -4.723 -23.850 105 HH22 ARG 12 1HH1 ARG 12 5.324 -5.192 -25.026 106 H VAL 13 HN VAL 13 2.873 -5.092 -15.771 107 HA VAL 13 HA VAL 13 2.366 -3.438 -14.351 108 HB VAL 13 HB VAL 13 4.199 -2.710 -16.142 109 HG11 VAL 13 1HG1 VAL 13 3.717 -0.953 -17.488 110 HG12 VAL 13 2HG1 VAL 13 2.052 -1.566 -17.341 111 HG13 VAL 13 3HG1 VAL 13 2.598 -0.219 -16.314 112 HG21 VAL 13 3HG2 VAL 13 4.732 -1.930 -14.085 113 HG22 VAL 13 1HG2 VAL 13 4.103 -0.393 -14.725 114 HG23 VAL 13 2HG2 VAL 13 3.063 -1.432 -13.721 115 H ARG 14 HN ARG 14 1.457 -0.735 -14.843 116 HA ARG 14 HA ARG 14 -1.303 -1.403 -15.398 117 HB2 ARG 14 2HB ARG 14 0.075 0.830 -13.862 118 HB3 ARG 14 3HB ARG 14 -1.591 1.024 -14.372 119 HG2 ARG 14 2HG ARG 14 -2.175 -1.130 -13.204 120 HG3 ARG 14 3HG ARG 14 -0.516 -1.265 -12.655 121 HD2 ARG 14 2HD ARG 14 -0.703 0.580 -11.185 122 HD3 ARG 14 3HD ARG 14 -2.039 1.287 -12.073 123 HE ARG 14 HE ARG 14 -2.799 -1.297 -11.026 124 HH11 ARG 14 2HH2 ARG 14 -2.255 2.039 -10.047 125 HH12 ARG 14 1HH2 ARG 14 -3.333 1.952 -8.694 126 HH21 ARG 14 2HH1 ARG 14 -4.221 -1.412 -9.241 127 HH22 ARG 14 1HH1 ARG 14 -4.459 -0.024 -8.233 128 H GLY 15 HN GLY 15 -2.462 -0.425 -17.094 129 HA2 GLY 15 1HA GLY 15 -2.604 1.687 -18.421 130 HA3 GLY 15 2HA GLY 15 -0.911 1.431 -18.797 131 H ALA 16 HN ALA 16 -1.341 1.268 -21.078 132 HA ALA 16 HA ALA 16 -3.197 -0.669 -22.043 133 HB1 ALA 16 1HB ALA 16 -1.195 0.179 -23.970 134 HB2 ALA 16 2HB ALA 16 -2.937 0.542 -23.919 135 HB3 ALA 16 3HB ALA 16 -1.788 1.571 -23.032 136 H ILE 17 HN ILE 17 -2.127 -2.354 -20.482 137 HA ILE 17 HA ILE 17 0.377 -3.384 -20.946 138 HB ILE 17 HB ILE 17 -0.354 -5.309 -19.791 139 HG12 ILE 17 2HG1 ILE 17 -2.260 -5.981 -21.077 140 HG13 ILE 17 3HG1 ILE 17 -2.755 -5.818 -19.404 141 HG21 ILE 17 1HG2 ILE 17 -2.249 -3.492 -18.463 142 HG22 ILE 17 2HG2 ILE 17 -0.775 -4.277 -17.847 143 HG23 ILE 17 3HG2 ILE 17 -0.654 -2.780 -18.803 144 HD11 ILE 17 3HD1 ILE 17 -3.231 -3.806 -21.647 145 HD12 ILE 17 1HD1 ILE 17 -4.456 -4.780 -20.799 146 HD13 ILE 17 2HD1 ILE 17 -3.595 -3.484 -19.935 147 H CYS 18 HN CYS 18 0.370 -5.977 -21.741 148 HA CYS 18 HA CYS 18 0.534 -7.240 -23.527 149 HB2 CYS 18 2HB CYS 18 -2.081 -6.007 -24.414 150 HB3 CYS 18 3HB CYS 18 -1.388 -7.511 -24.988 151 H HIS 19 HN HIS 19 0.839 -7.191 -26.017 152 HA HIS 19 HA HIS 19 2.423 -5.004 -26.671 153 HB2 HIS 19 2HB HIS 19 2.702 -7.251 -27.609 154 HB3 HIS 19 3HB HIS 19 1.171 -7.115 -28.450 155 HD1 HIS 19 HD1 HIS 19 1.356 -4.381 -29.779 156 HD2 HIS 19 HD2 HIS 19 4.587 -7.048 -29.572 157 HE1 HIS 19 HE1 HIS 19 2.938 -3.736 -31.674 158 HE2 HIS 19 HE2 HIS 19 4.930 -5.374 -31.462 159 HA PRO 20 HA PRO 20 -0.569 -2.181 -28.045 160 HB2 PRO 20 2HB PRO 20 1.069 -0.340 -29.226 161 HB3 PRO 20 3HB PRO 20 0.775 -0.393 -27.499 162 HG2 PRO 20 2HG PRO 20 3.173 -1.254 -28.999 163 HG3 PRO 20 3HG PRO 20 3.015 -0.902 -27.289 164 HD2 PRO 20 2HD PRO 20 3.155 -3.498 -28.501 165 HD3 PRO 20 3HD PRO 20 2.881 -3.145 -26.806 166 H VAL 21 HN VAL 21 -1.950 -1.808 -29.725 167 HA VAL 21 HA VAL 21 -2.623 -1.800 -31.852 168 HB VAL 21 HB VAL 21 0.057 -2.779 -32.798 169 HG11 VAL 21 1HG1 VAL 21 -1.467 -2.676 -34.576 170 HG12 VAL 21 2HG1 VAL 21 -2.218 -1.179 -33.973 171 HG13 VAL 21 3HG1 VAL 21 -0.587 -1.133 -34.684 172 HG21 VAL 21 3HG2 VAL 21 0.153 -0.005 -33.001 173 HG22 VAL 21 1HG2 VAL 21 -0.491 -0.292 -31.367 174 HG23 VAL 21 2HG2 VAL 21 1.061 -1.016 -31.851 175 H PHE 22 HN PHE 22 -0.295 -4.515 -31.207 176 HA PHE 22 HA PHE 22 -2.409 -6.398 -31.198 177 HB2 PHE 22 2HB PHE 22 -2.012 -7.422 -33.323 178 HB3 PHE 22 3HB PHE 22 -1.840 -5.723 -33.713 179 HD1 PHE 22 HD1 PHE 22 0.945 -5.571 -32.222 180 HD2 PHE 22 HD2 PHE 22 -0.670 -8.087 -35.234 181 HE1 PHE 22 HE1 PHE 22 3.257 -6.005 -33.099 182 HE2 PHE 22 HE2 PHE 22 1.642 -8.521 -36.111 183 HZ PHE 22 HZ PHE 22 3.577 -7.475 -35.033 184 H CYS 23 HN CYS 23 -1.115 -8.766 -31.643 185 HA CYS 23 HA CYS 23 1.274 -8.546 -29.960 186 HB2 CYS 23 2HB CYS 23 -0.818 -9.446 -28.820 187 HB3 CYS 23 3HB CYS 23 -0.678 -10.846 -29.864 188 HA PRO 24 HA PRO 24 2.970 -10.717 -33.360 189 HB2 PRO 24 2HB PRO 24 5.477 -11.156 -32.366 190 HB3 PRO 24 3HB PRO 24 4.997 -9.651 -33.123 191 HG2 PRO 24 2HG PRO 24 5.398 -10.236 -30.253 192 HG3 PRO 24 3HG PRO 24 5.340 -8.681 -31.059 193 HD2 PRO 24 2HD PRO 24 3.261 -9.876 -29.485 194 HD3 PRO 24 3HD PRO 24 3.163 -8.376 -30.385 195 H ARG 25 HN ARG 25 5.050 -12.704 -33.041 196 HA ARG 25 HA ARG 25 3.467 -14.725 -31.683 197 HB2 ARG 25 2HB ARG 25 4.249 -14.603 -34.546 198 HB3 ARG 25 3HB ARG 25 4.680 -16.121 -33.782 199 HG2 ARG 25 2HG ARG 25 2.426 -16.636 -33.228 200 HG3 ARG 25 3HG ARG 25 1.906 -14.968 -33.364 201 HD2 ARG 25 2HD ARG 25 1.144 -16.363 -35.304 202 HD3 ARG 25 3HD ARG 25 2.154 -15.022 -35.808 203 HE ARG 25 HE ARG 25 3.846 -17.277 -35.335 204 HH11 ARG 25 2HH2 ARG 25 1.364 -16.209 -37.589 205 HH12 ARG 25 1HH2 ARG 25 1.975 -17.154 -38.907 206 HH21 ARG 25 2HH1 ARG 25 4.652 -18.522 -37.073 207 HH22 ARG 25 1HH1 ARG 25 3.857 -18.478 -38.611 208 H ARG 26 HN ARG 26 4.775 -16.618 -30.949 209 HA ARG 26 HA ARG 26 6.554 -17.630 -30.225 210 HB2 ARG 26 2HB ARG 26 7.579 -16.424 -32.526 211 HB3 ARG 26 3HB ARG 26 8.671 -15.833 -31.289 212 HG2 ARG 26 2HG ARG 26 9.181 -18.122 -30.559 213 HG3 ARG 26 3HG ARG 26 7.956 -18.783 -31.623 214 HD2 ARG 26 2HD ARG 26 9.727 -17.122 -33.204 215 HD3 ARG 26 3HD ARG 26 10.708 -18.204 -32.235 216 HE ARG 26 HE ARG 26 8.441 -19.538 -33.534 217 HH11 ARG 26 2HH2 ARG 26 11.796 -18.536 -33.890 218 HH12 ARG 26 1HH2 ARG 26 12.150 -19.710 -35.113 219 HH21 ARG 26 2HH1 ARG 26 8.908 -21.086 -35.149 220 HH22 ARG 26 1HH1 ARG 26 10.496 -21.170 -35.834 221 H TYR 27 HN TYR 27 5.894 -14.290 -29.829 222 HA TYR 27 HA TYR 27 7.763 -13.144 -28.335 223 HB2 TYR 27 2HB TYR 27 5.529 -12.583 -26.849 224 HB3 TYR 27 3HB TYR 27 5.735 -11.938 -28.466 225 HD1 TYR 27 HD2 TYR 27 5.029 -15.514 -27.836 226 HD2 TYR 27 HD1 TYR 27 3.375 -11.722 -28.925 227 HE1 TYR 27 HE2 TYR 27 2.878 -16.654 -28.569 228 HE2 TYR 27 HE1 TYR 27 1.229 -12.875 -29.654 229 HH TYR 27 HH TYR 27 0.078 -14.758 -29.554 230 H LYS 28 HN LYS 28 5.153 -14.354 -26.250 231 HA LYS 28 HA LYS 28 6.206 -16.477 -25.011 232 HB2 LYS 28 2HB LYS 28 7.852 -14.112 -24.420 233 HB3 LYS 28 3HB LYS 28 7.284 -14.943 -22.986 234 HG2 LYS 28 2HG LYS 28 8.562 -16.808 -23.396 235 HG3 LYS 28 3HG LYS 28 8.243 -16.776 -25.119 236 HD2 LYS 28 2HD LYS 28 10.241 -15.782 -25.521 237 HD3 LYS 28 3HD LYS 28 9.845 -14.458 -24.444 238 HE2 LYS 28 2HE LYS 28 11.096 -17.130 -23.658 239 HE3 LYS 28 3HE LYS 28 11.881 -15.563 -23.638 240 HZ1 LYS 28 3HZ LYS 28 11.124 -15.319 -21.604 241 HZ2 LYS 28 1HZ LYS 28 9.582 -15.329 -22.142 242 HZ3 LYS 28 2HZ LYS 28 10.290 -16.722 -21.666 243 H GLN 29 HN GLN 29 3.823 -16.474 -25.069 244 HA GLN 29 HA GLN 29 2.126 -14.775 -24.005 245 HB2 GLN 29 2HB GLN 29 1.662 -17.106 -24.931 246 HB3 GLN 29 3HB GLN 29 2.027 -17.749 -23.342 247 HG2 GLN 29 2HG GLN 29 0.131 -15.503 -23.186 248 HG3 GLN 29 3HG GLN 29 -0.469 -16.779 -24.227 249 HE21 GLN 29 1HE2 GLN 29 -0.116 -15.691 -21.088 250 HE22 GLN 29 2HE2 GLN 29 -0.510 -17.131 -20.210 251 H ILE 30 HN ILE 30 1.859 -13.690 -22.102 252 HA ILE 30 HA ILE 30 2.877 -14.994 -19.680 253 HB ILE 30 HB ILE 30 3.352 -12.180 -20.638 254 HG12 ILE 30 2HG1 ILE 30 5.556 -13.669 -19.427 255 HG13 ILE 30 3HG1 ILE 30 4.876 -14.505 -20.808 256 HG21 ILE 30 1HG2 ILE 30 2.494 -12.279 -18.248 257 HG22 ILE 30 2HG2 ILE 30 3.983 -13.170 -17.854 258 HG23 ILE 30 3HG2 ILE 30 4.081 -11.513 -18.496 259 HD11 ILE 30 3HD1 ILE 30 6.168 -11.778 -20.688 260 HD12 ILE 30 1HD1 ILE 30 6.434 -13.101 -21.848 261 HD13 ILE 30 2HD1 ILE 30 4.960 -12.109 -21.952 262 H GLY 31 HN GLY 31 0.652 -12.632 -21.229 263 HA2 GLY 31 1HA GLY 31 -1.331 -13.278 -19.174 264 HA3 GLY 31 2HA GLY 31 -0.861 -11.599 -19.352 265 H THR 32 HN THR 32 -3.250 -11.386 -19.904 266 HA THR 32 HA THR 32 -3.514 -11.259 -22.750 267 HB THR 32 HB THR 32 -5.804 -12.706 -22.293 268 HG1 THR 32 HG1 THR 32 -4.989 -14.492 -20.895 269 HG21 THR 32 3HG2 THR 32 -3.421 -13.128 -23.728 270 HG22 THR 32 1HG2 THR 32 -3.509 -14.534 -22.640 271 HG23 THR 32 2HG2 THR 32 -4.849 -14.190 -23.759 272 H CYS 33 HN CYS 33 -4.626 -9.472 -23.253 273 HA CYS 33 HA CYS 33 -6.642 -8.585 -21.350 274 HB2 CYS 33 2HB CYS 33 -5.836 -6.360 -21.232 275 HB3 CYS 33 3HB CYS 33 -4.522 -7.429 -20.782 276 H GLY 34 HN GLY 34 -7.836 -6.574 -22.484 277 HA2 GLY 34 1HA GLY 34 -9.269 -6.087 -24.164 278 HA3 GLY 34 2HA GLY 34 -7.801 -5.969 -25.113 279 H LEU 35 HN LEU 35 -8.349 -6.893 -27.070 280 HA LEU 35 HA LEU 35 -10.017 -9.204 -27.175 281 HB2 LEU 35 2HB LEU 35 -9.072 -7.183 -28.942 282 HB3 LEU 35 3HB LEU 35 -8.628 -8.736 -29.623 283 HG LEU 35 HG LEU 35 -11.209 -9.246 -28.964 284 HD11 LEU 35 1HD1 LEU 35 -11.797 -7.111 -28.129 285 HD12 LEU 35 2HD1 LEU 35 -11.039 -6.278 -29.508 286 HD13 LEU 35 3HD1 LEU 35 -12.522 -7.232 -29.750 287 HD21 LEU 35 3HD2 LEU 35 -11.270 -8.003 -31.530 288 HD22 LEU 35 1HD2 LEU 35 -9.686 -8.788 -31.324 289 HD23 LEU 35 2HD2 LEU 35 -11.180 -9.734 -31.124 290 HA PRO 36 HA PRO 36 -7.012 -12.312 -27.360 291 HB2 PRO 36 2HB PRO 36 -7.595 -13.857 -29.538 292 HB3 PRO 36 3HB PRO 36 -8.488 -13.946 -28.033 293 HG2 PRO 36 2HG PRO 36 -9.288 -12.701 -30.592 294 HG3 PRO 36 3HG PRO 36 -10.296 -13.174 -29.238 295 HD2 PRO 36 2HD PRO 36 -9.470 -10.512 -29.915 296 HD3 PRO 36 3HD PRO 36 -10.380 -10.999 -28.499 297 H GLY 37 HN GLY 37 -6.826 -9.876 -29.468 298 HA2 GLY 37 1HA GLY 37 -4.468 -10.968 -30.850 299 HA3 GLY 37 2HA GLY 37 -5.392 -9.551 -31.310 300 H THR 38 HN THR 38 -5.203 -9.416 -27.964 301 HA THR 38 HA THR 38 -2.590 -8.076 -27.979 302 HB THR 38 HB THR 38 -4.999 -6.868 -26.576 303 HG1 THR 38 HG1 THR 38 -5.712 -6.225 -28.583 304 HG21 THR 38 3HG2 THR 38 -3.675 -4.984 -26.445 305 HG22 THR 38 1HG2 THR 38 -2.329 -6.117 -26.714 306 HG23 THR 38 2HG2 THR 38 -3.026 -5.223 -28.086 307 H LYS 39 HN LYS 39 -1.612 -9.788 -26.888 308 HA LYS 39 HA LYS 39 -2.673 -10.194 -24.178 309 HB2 LYS 39 2HB LYS 39 -1.645 -12.454 -24.285 310 HB3 LYS 39 3HB LYS 39 -2.964 -12.224 -25.415 311 HG2 LYS 39 2HG LYS 39 -1.446 -13.129 -26.898 312 HG3 LYS 39 3HG LYS 39 -0.938 -11.458 -27.037 313 HD2 LYS 39 2HD LYS 39 1.022 -11.799 -25.848 314 HD3 LYS 39 3HD LYS 39 0.306 -13.002 -24.794 315 HE2 LYS 39 2HE LYS 39 0.439 -13.876 -27.624 316 HE3 LYS 39 3HE LYS 39 2.015 -13.534 -26.937 317 HZ1 LYS 39 3HZ LYS 39 1.882 -15.409 -25.824 318 HZ2 LYS 39 1HZ LYS 39 0.510 -14.946 -25.069 319 HZ3 LYS 39 2HZ LYS 39 0.430 -15.744 -26.492 320 H CYS 40 HN CYS 40 -0.742 -11.078 -22.706 321 HA CYS 40 HA CYS 40 1.173 -8.962 -22.762 322 HB2 CYS 40 2HB CYS 40 0.035 -10.603 -20.803 323 HB3 CYS 40 3HB CYS 40 1.723 -11.071 -20.844 324 H CYS 41 HN CYS 41 2.458 -9.308 -24.655 325 HA CYS 41 HA CYS 41 3.924 -11.843 -24.671 326 HB2 CYS 41 2HB CYS 41 4.424 -10.777 -27.114 327 HB3 CYS 41 3HB CYS 41 3.169 -11.948 -26.762 328 H LYS 42 HN LYS 42 6.266 -11.700 -25.082 329 HA LYS 42 HA LYS 42 8.282 -10.854 -24.782 330 HB2 LYS 42 2HB LYS 42 6.984 -9.045 -26.468 331 HB3 LYS 42 3HB LYS 42 7.735 -8.028 -25.255 332 HG2 LYS 42 2HG LYS 42 9.098 -10.102 -27.024 333 HG3 LYS 42 3HG LYS 42 9.357 -8.369 -27.030 334 HD2 LYS 42 2HD LYS 42 9.978 -8.826 -24.441 335 HD3 LYS 42 3HD LYS 42 10.325 -10.430 -25.056 336 HE2 LYS 42 2HE LYS 42 12.090 -9.692 -26.410 337 HE3 LYS 42 3HE LYS 42 11.414 -8.087 -26.608 338 HZ1 LYS 42 3HZ LYS 42 13.226 -7.910 -25.160 339 HZ2 LYS 42 1HZ LYS 42 11.907 -7.759 -24.209 340 HZ3 LYS 42 2HZ LYS 42 12.745 -9.161 -24.226 341 H LYS 43 HN LYS 43 9.246 -10.715 -22.832 342 HA LYS 43 HA LYS 43 7.813 -9.782 -20.598 343 HB2 LYS 43 2HB LYS 43 10.586 -10.800 -21.115 344 HB3 LYS 43 3HB LYS 43 10.246 -10.014 -19.587 345 HG2 LYS 43 2HG LYS 43 8.092 -11.626 -19.632 346 HG3 LYS 43 3HG LYS 43 9.105 -12.575 -20.702 347 HD2 LYS 43 2HD LYS 43 10.267 -13.381 -18.932 348 HD3 LYS 43 3HD LYS 43 10.739 -11.756 -18.476 349 HE2 LYS 43 2HE LYS 43 8.139 -11.768 -17.582 350 HE3 LYS 43 3HE LYS 43 8.535 -13.465 -17.397 351 HZ1 LYS 43 3HZ LYS 43 9.138 -11.659 -15.602 352 HZ2 LYS 43 1HZ LYS 43 10.035 -13.007 -15.814 353 HZ3 LYS 43 2HZ LYS 43 10.520 -11.592 -16.470 354 HA PRO 44 HA PRO 44 8.911 -5.612 -20.493 355 HB2 PRO 44 2HB PRO 44 9.017 -5.067 -17.817 356 HB3 PRO 44 3HB PRO 44 7.515 -5.190 -18.711 357 HG2 PRO 44 2HG PRO 44 8.713 -7.126 -16.826 358 HG3 PRO 44 3HG PRO 44 7.057 -7.025 -17.391 359 HD2 PRO 44 2HD PRO 44 9.052 -8.895 -18.254 360 HD3 PRO 44 3HD PRO 44 7.433 -8.717 -18.900 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -3.066 -12.972 -2.681 2 HA2 GLY 1 1HA GLY 1 -1.775 -11.561 -1.337 3 HA3 GLY 1 2HA GLY 1 -1.218 -11.234 -2.966 4 H ILE 2 HN ILE 2 -0.695 -9.199 -1.367 5 HA ILE 2 HA ILE 2 -2.963 -7.356 -1.534 6 HB ILE 2 HB ILE 2 -1.672 -5.986 0.050 7 HG12 ILE 2 2HG1 ILE 2 0.177 -8.056 0.910 8 HG13 ILE 2 3HG1 ILE 2 0.492 -7.586 -0.748 9 HG21 ILE 2 1HG2 ILE 2 -1.756 -8.601 1.426 10 HG22 ILE 2 2HG2 ILE 2 -2.566 -7.064 1.813 11 HG23 ILE 2 3HG2 ILE 2 -3.239 -8.134 0.560 12 HD11 ILE 2 3HD1 ILE 2 -0.066 -5.326 1.122 13 HD12 ILE 2 1HD1 ILE 2 1.447 -6.217 1.413 14 HD13 ILE 2 2HD1 ILE 2 1.150 -5.461 -0.171 15 H ILE 3 HN ILE 3 0.193 -8.165 -2.849 16 HA ILE 3 HA ILE 3 0.345 -5.556 -4.152 17 HB ILE 3 HB ILE 3 2.292 -7.773 -3.630 18 HG12 ILE 3 2HG1 ILE 3 3.220 -5.055 -3.267 19 HG13 ILE 3 3HG1 ILE 3 1.705 -5.294 -2.420 20 HG21 ILE 3 1HG2 ILE 3 3.844 -6.122 -5.035 21 HG22 ILE 3 2HG2 ILE 3 2.983 -7.492 -5.776 22 HG23 ILE 3 3HG2 ILE 3 2.313 -5.848 -5.901 23 HD11 ILE 3 3HD1 ILE 3 4.345 -6.696 -2.025 24 HD12 ILE 3 1HD1 ILE 3 3.218 -6.047 -0.810 25 HD13 ILE 3 2HD1 ILE 3 2.847 -7.576 -1.641 26 H ASN 4 HN ASN 4 0.101 -5.285 -6.359 27 HA ASN 4 HA ASN 4 -0.427 -7.733 -7.842 28 HB2 ASN 4 2HB ASN 4 -2.086 -5.189 -7.675 29 HB3 ASN 4 3HB ASN 4 -2.131 -6.150 -9.140 30 HD21 ASN 4 1HD2 ASN 4 -3.124 -8.106 -9.186 31 HD22 ASN 4 2HD2 ASN 4 -4.079 -8.754 -7.894 32 H THR 5 HN THR 5 1.491 -7.699 -9.097 33 HA THR 5 HA THR 5 2.208 -5.151 -10.368 34 HB THR 5 HB THR 5 3.889 -6.410 -8.926 35 HG1 THR 5 HG1 THR 5 5.388 -5.757 -10.472 36 HG21 THR 5 3HG2 THR 5 4.085 -8.667 -9.262 37 HG22 THR 5 1HG2 THR 5 3.072 -8.592 -10.724 38 HG23 THR 5 2HG2 THR 5 4.821 -8.277 -10.836 39 H LEU 6 HN LEU 6 0.542 -8.079 -10.952 40 HA LEU 6 HA LEU 6 0.044 -7.408 -13.607 41 HB2 LEU 6 2HB LEU 6 1.422 -8.637 -14.898 42 HB3 LEU 6 3HB LEU 6 2.528 -8.254 -13.594 43 HG LEU 6 HG LEU 6 2.960 -10.480 -13.846 44 HD11 LEU 6 1HD1 LEU 6 0.667 -11.184 -12.115 45 HD12 LEU 6 2HD1 LEU 6 2.414 -11.426 -11.877 46 HD13 LEU 6 3HD1 LEU 6 1.683 -9.837 -11.549 47 HD21 LEU 6 3HD2 LEU 6 0.561 -11.924 -14.090 48 HD22 LEU 6 1HD2 LEU 6 0.391 -10.512 -15.160 49 HD23 LEU 6 2HD2 LEU 6 1.780 -11.609 -15.348 50 H GLN 7 HN GLN 7 -1.215 -9.248 -14.721 51 HA GLN 7 HA GLN 7 -2.113 -11.293 -12.956 52 HB2 GLN 7 2HB GLN 7 -3.908 -8.949 -13.672 53 HB3 GLN 7 3HB GLN 7 -4.580 -10.518 -13.276 54 HG2 GLN 7 2HG GLN 7 -2.826 -8.771 -11.494 55 HG3 GLN 7 3HG GLN 7 -4.509 -9.184 -11.237 56 HE21 GLN 7 1HE2 GLN 7 -4.544 -11.859 -11.862 57 HE22 GLN 7 2HE2 GLN 7 -3.620 -12.768 -10.713 58 H LYS 8 HN LYS 8 -3.719 -9.533 -15.696 59 HA LYS 8 HA LYS 8 -2.814 -11.079 -17.761 60 HB2 LYS 8 2HB LYS 8 -4.887 -12.597 -18.040 61 HB3 LYS 8 3HB LYS 8 -3.605 -13.106 -16.961 62 HG2 LYS 8 2HG LYS 8 -5.302 -11.513 -15.346 63 HG3 LYS 8 3HG LYS 8 -6.397 -12.452 -16.341 64 HD2 LYS 8 2HD LYS 8 -5.834 -14.433 -15.327 65 HD3 LYS 8 3HD LYS 8 -4.128 -14.037 -15.266 66 HE2 LYS 8 2HE LYS 8 -4.295 -13.403 -13.093 67 HE3 LYS 8 3HE LYS 8 -5.559 -12.252 -13.479 68 HZ1 LYS 8 3HZ LYS 8 -6.835 -13.627 -12.327 69 HZ2 LYS 8 1HZ LYS 8 -6.827 -14.607 -13.634 70 HZ3 LYS 8 2HZ LYS 8 -5.786 -14.876 -12.404 71 H TYR 9 HN TYR 9 -6.294 -10.589 -16.921 72 HA TYR 9 HA TYR 9 -7.086 -9.414 -19.199 73 HB2 TYR 9 2HB TYR 9 -8.894 -8.538 -17.782 74 HB3 TYR 9 3HB TYR 9 -8.349 -10.015 -17.011 75 HD1 TYR 9 HD1 TYR 9 -6.019 -9.322 -15.488 76 HD2 TYR 9 HD2 TYR 9 -9.531 -6.981 -16.190 77 HE1 TYR 9 HE1 TYR 9 -5.602 -8.036 -13.335 78 HE2 TYR 9 HE2 TYR 9 -9.102 -5.704 -14.034 79 HH TYR 9 HH TYR 9 -6.232 -5.664 -12.506 80 H TYR 10 HN TYR 10 -5.011 -7.982 -16.714 81 HA TYR 10 HA TYR 10 -4.792 -5.607 -18.404 82 HB2 TYR 10 2HB TYR 10 -5.411 -4.211 -16.600 83 HB3 TYR 10 3HB TYR 10 -6.343 -5.623 -16.145 84 HD1 TYR 10 HD1 TYR 10 -3.998 -7.365 -15.220 85 HD2 TYR 10 HD2 TYR 10 -5.020 -3.284 -14.446 86 HE1 TYR 10 HE1 TYR 10 -2.756 -7.467 -13.004 87 HE2 TYR 10 HE2 TYR 10 -3.774 -3.399 -12.232 88 HH TYR 10 HH TYR 10 -2.684 -4.643 -10.846 89 H CYS 11 HN CYS 11 -3.273 -8.235 -17.346 90 HA CYS 11 HA CYS 11 -1.184 -7.680 -15.798 91 HB2 CYS 11 2HB CYS 11 -1.161 -9.828 -16.545 92 HB3 CYS 11 3HB CYS 11 -1.531 -9.390 -18.201 93 H ARG 12 HN ARG 12 0.991 -6.801 -16.114 94 HA ARG 12 HA ARG 12 2.460 -5.395 -16.843 95 HB2 ARG 12 2HB ARG 12 2.424 -6.667 -18.979 96 HB3 ARG 12 3HB ARG 12 1.079 -5.703 -19.557 97 HG2 ARG 12 2HG ARG 12 2.583 -4.249 -20.432 98 HG3 ARG 12 3HG ARG 12 3.016 -3.793 -18.796 99 HD2 ARG 12 2HD ARG 12 4.503 -6.048 -18.961 100 HD3 ARG 12 3HD ARG 12 4.416 -5.689 -20.674 101 HE ARG 12 HE ARG 12 5.811 -3.836 -20.339 102 HH11 ARG 12 2HH2 ARG 12 4.519 -4.890 -17.240 103 HH12 ARG 12 1HH2 ARG 12 5.523 -3.824 -16.314 104 HH21 ARG 12 2HH1 ARG 12 7.136 -2.430 -19.118 105 HH22 ARG 12 1HH1 ARG 12 7.022 -2.415 -17.390 106 H VAL 13 HN VAL 13 0.521 -4.184 -15.435 107 HA VAL 13 HA VAL 13 -1.090 -2.319 -16.664 108 HB VAL 13 HB VAL 13 -0.971 -1.146 -14.466 109 HG11 VAL 13 1HG1 VAL 13 -1.647 -4.015 -14.860 110 HG12 VAL 13 2HG1 VAL 13 -1.588 -3.436 -13.178 111 HG13 VAL 13 3HG1 VAL 13 -2.670 -2.650 -14.352 112 HG21 VAL 13 3HG2 VAL 13 0.663 -3.350 -13.307 113 HG22 VAL 13 1HG2 VAL 13 1.533 -2.094 -14.220 114 HG23 VAL 13 2HG2 VAL 13 0.526 -1.642 -12.824 115 H ARG 14 HN ARG 14 -0.540 0.233 -15.856 116 HA ARG 14 HA ARG 14 0.593 2.026 -16.285 117 HB2 ARG 14 2HB ARG 14 2.554 0.546 -15.269 118 HB3 ARG 14 3HB ARG 14 3.140 0.497 -16.919 119 HG2 ARG 14 2HG ARG 14 2.429 3.228 -16.351 120 HG3 ARG 14 3HG ARG 14 3.367 2.644 -14.991 121 HD2 ARG 14 2HD ARG 14 5.041 1.715 -16.764 122 HD3 ARG 14 3HD ARG 14 4.186 2.712 -17.924 123 HE ARG 14 HE ARG 14 4.768 4.397 -15.736 124 HH11 ARG 14 2HH2 ARG 14 6.570 2.521 -18.105 125 HH12 ARG 14 1HH2 ARG 14 7.945 3.574 -18.082 126 HH21 ARG 14 2HH1 ARG 14 6.582 5.787 -15.705 127 HH22 ARG 14 1HH1 ARG 14 7.952 5.444 -16.708 128 H GLY 15 HN GLY 15 1.076 3.336 -18.158 129 HA2 GLY 15 1HA GLY 15 0.728 3.774 -20.362 130 HA3 GLY 15 2HA GLY 15 2.137 2.746 -20.532 131 H ALA 16 HN ALA 16 1.690 1.581 -22.391 132 HA ALA 16 HA ALA 16 -0.954 0.529 -22.814 133 HB1 ALA 16 1HB ALA 16 1.672 0.293 -24.335 134 HB2 ALA 16 2HB ALA 16 0.118 -0.368 -24.898 135 HB3 ALA 16 3HB ALA 16 0.318 1.389 -24.698 136 H ILE 17 HN ILE 17 -1.675 -1.351 -21.961 137 HA ILE 17 HA ILE 17 -0.003 -3.015 -20.456 138 HB ILE 17 HB ILE 17 -1.931 -4.432 -20.240 139 HG12 ILE 17 2HG1 ILE 17 -2.496 -3.771 -22.863 140 HG13 ILE 17 3HG1 ILE 17 -3.514 -4.705 -21.786 141 HG21 ILE 17 1HG2 ILE 17 -1.844 -2.303 -18.985 142 HG22 ILE 17 2HG2 ILE 17 -2.792 -1.526 -20.276 143 HG23 ILE 17 3HG2 ILE 17 -3.505 -2.846 -19.318 144 HD11 ILE 17 3HD1 ILE 17 -4.661 -2.629 -21.037 145 HD12 ILE 17 1HD1 ILE 17 -3.617 -1.670 -22.114 146 HD13 ILE 17 2HD1 ILE 17 -4.779 -2.831 -22.801 147 H CYS 18 HN CYS 18 -1.546 -5.429 -21.915 148 HA CYS 18 HA CYS 18 0.553 -6.701 -22.934 149 HB2 CYS 18 2HB CYS 18 -2.259 -6.760 -24.050 150 HB3 CYS 18 3HB CYS 18 -1.019 -7.949 -24.396 151 H HIS 19 HN HIS 19 1.209 -7.145 -25.278 152 HA HIS 19 HA HIS 19 2.221 -5.028 -26.515 153 HB2 HIS 19 2HB HIS 19 2.669 -7.352 -27.128 154 HB3 HIS 19 3HB HIS 19 1.079 -7.499 -27.848 155 HD1 HIS 19 HD1 HIS 19 0.861 -5.045 -29.614 156 HD2 HIS 19 HD2 HIS 19 4.403 -7.259 -29.229 157 HE1 HIS 19 HE1 HIS 19 2.239 -4.559 -31.706 158 HE2 HIS 19 HE2 HIS 19 4.426 -5.904 -31.387 159 HA PRO 20 HA PRO 20 -1.109 -2.723 -28.069 160 HB2 PRO 20 2HB PRO 20 0.273 -0.944 -29.617 161 HB3 PRO 20 3HB PRO 20 0.081 -0.761 -27.884 162 HG2 PRO 20 2HG PRO 20 2.466 -1.621 -29.404 163 HG3 PRO 20 3HG PRO 20 2.368 -1.029 -27.758 164 HD2 PRO 20 2HD PRO 20 2.697 -3.756 -28.584 165 HD3 PRO 20 3HD PRO 20 2.482 -3.177 -26.944 166 H VAL 21 HN VAL 21 -2.606 -2.719 -29.694 167 HA VAL 21 HA VAL 21 -3.393 -3.098 -31.745 168 HB VAL 21 HB VAL 21 -0.683 -3.962 -32.717 169 HG11 VAL 21 1HG1 VAL 21 -3.169 -2.783 -33.960 170 HG12 VAL 21 2HG1 VAL 21 -1.591 -2.694 -34.778 171 HG13 VAL 21 3HG1 VAL 21 -2.300 -4.278 -34.384 172 HG21 VAL 21 3HG2 VAL 21 0.134 -1.991 -31.980 173 HG22 VAL 21 1HG2 VAL 21 -0.754 -1.310 -33.365 174 HG23 VAL 21 2HG2 VAL 21 -1.485 -1.290 -31.742 175 H PHE 22 HN PHE 22 -0.716 -5.490 -31.138 176 HA PHE 22 HA PHE 22 -2.664 -7.534 -30.647 177 HB2 PHE 22 2HB PHE 22 -2.244 -8.793 -32.632 178 HB3 PHE 22 3HB PHE 22 -2.223 -7.156 -33.255 179 HD1 PHE 22 HD1 PHE 22 0.569 -6.549 -31.934 180 HD2 PHE 22 HD2 PHE 22 -0.892 -9.641 -34.448 181 HE1 PHE 22 HE1 PHE 22 2.885 -6.918 -32.827 182 HE2 PHE 22 HE2 PHE 22 1.425 -10.009 -35.341 183 HZ PHE 22 HZ PHE 22 3.286 -8.643 -34.520 184 H CYS 23 HN CYS 23 -0.898 -9.758 -31.170 185 HA CYS 23 HA CYS 23 1.435 -9.096 -29.553 186 HB2 CYS 23 2HB CYS 23 -0.534 -10.017 -28.171 187 HB3 CYS 23 3HB CYS 23 -0.207 -11.549 -28.956 188 HA PRO 24 HA PRO 24 3.109 -11.616 -32.716 189 HB2 PRO 24 2HB PRO 24 5.708 -11.669 -31.874 190 HB3 PRO 24 3HB PRO 24 5.030 -10.350 -32.809 191 HG2 PRO 24 2HG PRO 24 5.678 -10.437 -29.926 192 HG3 PRO 24 3HG PRO 24 5.411 -9.040 -30.949 193 HD2 PRO 24 2HD PRO 24 3.573 -10.151 -29.049 194 HD3 PRO 24 3HD PRO 24 3.265 -8.827 -30.154 195 H ARG 25 HN ARG 25 5.446 -13.301 -32.178 196 HA ARG 25 HA ARG 25 4.131 -15.233 -30.457 197 HB2 ARG 25 2HB ARG 25 4.799 -15.497 -33.343 198 HB3 ARG 25 3HB ARG 25 5.394 -16.827 -32.370 199 HG2 ARG 25 2HG ARG 25 3.276 -17.659 -32.699 200 HG3 ARG 25 3HG ARG 25 2.887 -16.639 -31.328 201 HD2 ARG 25 2HD ARG 25 2.195 -14.803 -32.848 202 HD3 ARG 25 3HD ARG 25 2.671 -15.748 -34.245 203 HE ARG 25 HE ARG 25 0.901 -17.440 -33.013 204 HH11 ARG 25 2HH2 ARG 25 0.696 -14.033 -33.870 205 HH12 ARG 25 1HH2 ARG 25 -1.022 -14.060 -34.086 206 HH21 ARG 25 2HH1 ARG 25 -1.366 -17.476 -33.298 207 HH22 ARG 25 1HH1 ARG 25 -2.203 -16.031 -33.758 208 H ARG 26 HN ARG 26 5.706 -16.972 -29.678 209 HA ARG 26 HA ARG 26 7.637 -17.687 -28.977 210 HB2 ARG 26 2HB ARG 26 8.436 -16.487 -31.341 211 HB3 ARG 26 3HB ARG 26 9.394 -15.591 -30.180 212 HG2 ARG 26 2HG ARG 26 10.696 -17.521 -30.869 213 HG3 ARG 26 3HG ARG 26 10.199 -17.784 -29.210 214 HD2 ARG 26 2HD ARG 26 8.106 -18.830 -30.881 215 HD3 ARG 26 3HD ARG 26 9.623 -19.407 -31.543 216 HE ARG 26 HE ARG 26 8.478 -20.095 -28.925 217 HH11 ARG 26 2HH2 ARG 26 11.392 -20.033 -30.896 218 HH12 ARG 26 1HH2 ARG 26 12.195 -21.260 -29.974 219 HH21 ARG 26 2HH1 ARG 26 9.537 -21.713 -27.707 220 HH22 ARG 26 1HH1 ARG 26 11.133 -22.221 -28.148 221 H TYR 27 HN TYR 27 6.499 -14.454 -28.707 222 HA TYR 27 HA TYR 27 8.300 -13.116 -27.182 223 HB2 TYR 27 2HB TYR 27 5.984 -12.381 -26.019 224 HB3 TYR 27 3HB TYR 27 6.247 -12.016 -27.713 225 HD1 TYR 27 HD2 TYR 27 5.639 -15.489 -26.695 226 HD2 TYR 27 HD1 TYR 27 3.825 -11.880 -28.105 227 HE1 TYR 27 HE2 TYR 27 3.533 -16.776 -27.302 228 HE2 TYR 27 HE1 TYR 27 1.724 -13.180 -28.707 229 HH TYR 27 HH TYR 27 1.389 -15.865 -29.338 230 H LYS 28 HN LYS 28 5.533 -13.993 -25.207 231 HA LYS 28 HA LYS 28 6.249 -16.090 -23.748 232 HB2 LYS 28 2HB LYS 28 8.222 -13.955 -23.304 233 HB3 LYS 28 3HB LYS 28 7.513 -14.570 -21.825 234 HG2 LYS 28 2HG LYS 28 8.395 -16.702 -22.110 235 HG3 LYS 28 3HG LYS 28 8.311 -16.626 -23.859 236 HD2 LYS 28 2HD LYS 28 10.162 -14.626 -23.284 237 HD3 LYS 28 3HD LYS 28 10.509 -15.809 -22.040 238 HE2 LYS 28 2HE LYS 28 10.201 -17.403 -24.316 239 HE3 LYS 28 3HE LYS 28 10.967 -15.965 -24.962 240 HZ1 LYS 28 3HZ LYS 28 12.707 -17.261 -24.251 241 HZ2 LYS 28 1HZ LYS 28 12.531 -16.234 -22.994 242 HZ3 LYS 28 2HZ LYS 28 11.961 -17.760 -22.887 243 H GLN 29 HN GLN 29 3.878 -15.635 -23.968 244 HA GLN 29 HA GLN 29 2.494 -13.615 -23.013 245 HB2 GLN 29 2HB GLN 29 1.407 -15.583 -23.926 246 HB3 GLN 29 3HB GLN 29 1.958 -16.583 -22.596 247 HG2 GLN 29 2HG GLN 29 0.185 -14.152 -22.128 248 HG3 GLN 29 3HG GLN 29 -0.496 -15.719 -22.520 249 HE21 GLN 29 1HE2 GLN 29 -1.047 -14.418 -20.161 250 HE22 GLN 29 2HE2 GLN 29 -0.376 -15.280 -18.817 251 H ILE 30 HN ILE 30 2.130 -12.537 -21.100 252 HA ILE 30 HA ILE 30 2.966 -13.904 -18.644 253 HB ILE 30 HB ILE 30 3.736 -11.162 -19.613 254 HG12 ILE 30 2HG1 ILE 30 5.761 -12.753 -18.273 255 HG13 ILE 30 3HG1 ILE 30 5.042 -13.651 -19.595 256 HG21 ILE 30 1HG2 ILE 30 4.787 -11.092 -17.194 257 HG22 ILE 30 2HG2 ILE 30 3.125 -10.532 -17.499 258 HG23 ILE 30 3HG2 ILE 30 3.408 -12.149 -16.809 259 HD11 ILE 30 3HD1 ILE 30 5.343 -11.432 -20.974 260 HD12 ILE 30 1HD1 ILE 30 6.487 -10.990 -19.684 261 HD13 ILE 30 2HD1 ILE 30 6.769 -12.450 -20.662 262 H GLY 31 HN GLY 31 0.419 -12.902 -20.374 263 HA2 GLY 31 1HA GLY 31 -1.538 -12.988 -18.628 264 HA3 GLY 31 2HA GLY 31 -0.923 -11.390 -18.258 265 H THR 32 HN THR 32 -3.196 -13.035 -20.075 266 HA THR 32 HA THR 32 -3.044 -11.386 -22.447 267 HB THR 32 HB THR 32 -5.179 -12.730 -22.953 268 HG1 THR 32 HG1 THR 32 -5.775 -13.146 -20.741 269 HG21 THR 32 3HG2 THR 32 -2.464 -13.877 -22.431 270 HG22 THR 32 1HG2 THR 32 -3.792 -15.062 -22.481 271 HG23 THR 32 2HG2 THR 32 -3.485 -14.008 -23.883 272 H CYS 33 HN CYS 33 -3.988 -9.469 -22.778 273 HA CYS 33 HA CYS 33 -5.821 -8.583 -20.682 274 HB2 CYS 33 2HB CYS 33 -4.488 -6.769 -22.674 275 HB3 CYS 33 3HB CYS 33 -5.181 -6.373 -21.114 276 H GLY 34 HN GLY 34 -6.825 -6.360 -22.373 277 HA2 GLY 34 1HA GLY 34 -9.006 -7.657 -23.594 278 HA3 GLY 34 2HA GLY 34 -8.574 -5.964 -23.729 279 H LEU 35 HN LEU 35 -9.605 -7.751 -25.850 280 HA LEU 35 HA LEU 35 -9.261 -7.746 -28.068 281 HB2 LEU 35 2HB LEU 35 -6.338 -7.146 -27.728 282 HB3 LEU 35 3HB LEU 35 -7.366 -6.864 -29.119 283 HG LEU 35 HG LEU 35 -8.243 -5.407 -26.724 284 HD11 LEU 35 1HD1 LEU 35 -5.837 -4.140 -27.882 285 HD12 LEU 35 2HD1 LEU 35 -6.444 -4.159 -26.208 286 HD13 LEU 35 3HD1 LEU 35 -5.540 -5.555 -26.843 287 HD21 LEU 35 3HD2 LEU 35 -7.453 -4.091 -29.283 288 HD22 LEU 35 1HD2 LEU 35 -8.830 -5.219 -29.305 289 HD23 LEU 35 2HD2 LEU 35 -8.856 -3.804 -28.226 290 HA PRO 36 HA PRO 36 -8.029 -11.912 -27.988 291 HB2 PRO 36 2HB PRO 36 -9.039 -12.653 -30.416 292 HB3 PRO 36 3HB PRO 36 -10.005 -12.590 -28.956 293 HG2 PRO 36 2HG PRO 36 -9.971 -10.711 -31.238 294 HG3 PRO 36 3HG PRO 36 -11.193 -10.910 -29.998 295 HD2 PRO 36 2HD PRO 36 -9.242 -8.813 -30.165 296 HD3 PRO 36 3HD PRO 36 -10.388 -9.078 -28.865 297 H GLY 37 HN GLY 37 -5.802 -11.776 -27.881 298 HA2 GLY 37 1HA GLY 37 -4.115 -12.861 -29.385 299 HA3 GLY 37 2HA GLY 37 -4.533 -11.618 -30.547 300 H THR 38 HN THR 38 -4.953 -10.101 -27.617 301 HA THR 38 HA THR 38 -2.204 -9.059 -27.688 302 HB THR 38 HB THR 38 -4.796 -7.810 -26.634 303 HG1 THR 38 HG1 THR 38 -4.710 -8.170 -28.981 304 HG21 THR 38 3HG2 THR 38 -1.947 -6.998 -26.630 305 HG22 THR 38 1HG2 THR 38 -2.999 -5.825 -27.458 306 HG23 THR 38 2HG2 THR 38 -3.324 -6.274 -25.766 307 H LYS 39 HN LYS 39 -0.930 -10.091 -26.267 308 HA LYS 39 HA LYS 39 -1.976 -10.280 -23.537 309 HB2 LYS 39 2HB LYS 39 -0.530 -12.460 -23.466 310 HB3 LYS 39 3HB LYS 39 -2.172 -12.503 -24.074 311 HG2 LYS 39 2HG LYS 39 -1.447 -13.222 -26.096 312 HG3 LYS 39 3HG LYS 39 -0.439 -11.799 -26.273 313 HD2 LYS 39 2HD LYS 39 1.430 -13.033 -25.931 314 HD3 LYS 39 3HD LYS 39 0.838 -13.548 -24.364 315 HE2 LYS 39 2HE LYS 39 -0.034 -14.854 -26.984 316 HE3 LYS 39 3HE LYS 39 1.318 -15.433 -26.031 317 HZ1 LYS 39 3HZ LYS 39 -1.373 -15.929 -25.633 318 HZ2 LYS 39 1HZ LYS 39 -0.112 -16.480 -24.754 319 HZ3 LYS 39 2HZ LYS 39 -0.850 -15.084 -24.337 320 H CYS 40 HN CYS 40 0.005 -10.743 -21.985 321 HA CYS 40 HA CYS 40 1.771 -8.571 -22.412 322 HB2 CYS 40 2HB CYS 40 1.554 -10.689 -20.276 323 HB3 CYS 40 3HB CYS 40 2.848 -9.507 -20.285 324 H CYS 41 HN CYS 41 3.114 -8.926 -24.221 325 HA CYS 41 HA CYS 41 4.821 -11.301 -24.014 326 HB2 CYS 41 2HB CYS 41 5.006 -10.744 -26.628 327 HB3 CYS 41 3HB CYS 41 3.861 -11.884 -25.950 328 H LYS 42 HN LYS 42 7.083 -10.933 -24.549 329 HA LYS 42 HA LYS 42 8.085 -8.494 -23.695 330 HB2 LYS 42 2HB LYS 42 9.397 -10.678 -25.339 331 HB3 LYS 42 3HB LYS 42 10.252 -9.362 -24.561 332 HG2 LYS 42 2HG LYS 42 8.369 -11.015 -22.878 333 HG3 LYS 42 3HG LYS 42 9.902 -11.729 -23.338 334 HD2 LYS 42 2HD LYS 42 10.952 -9.465 -22.493 335 HD3 LYS 42 3HD LYS 42 9.414 -9.228 -21.687 336 HE2 LYS 42 2HE LYS 42 10.168 -11.919 -21.119 337 HE3 LYS 42 3HE LYS 42 11.629 -10.971 -20.929 338 HZ1 LYS 42 3HZ LYS 42 9.094 -10.685 -19.520 339 HZ2 LYS 42 1HZ LYS 42 10.603 -10.795 -18.906 340 HZ3 LYS 42 2HZ LYS 42 10.112 -9.412 -19.623 341 H LYS 43 HN LYS 43 8.855 -9.710 -26.997 342 HA LYS 43 HA LYS 43 7.534 -8.010 -28.578 343 HB2 LYS 43 2HB LYS 43 8.068 -5.949 -27.847 344 HB3 LYS 43 3HB LYS 43 9.487 -6.499 -26.980 345 HG2 LYS 43 2HG LYS 43 10.733 -6.682 -29.150 346 HG3 LYS 43 3HG LYS 43 9.316 -6.107 -30.006 347 HD2 LYS 43 2HD LYS 43 10.309 -4.421 -27.720 348 HD3 LYS 43 3HD LYS 43 11.285 -4.443 -29.175 349 HE2 LYS 43 2HE LYS 43 9.378 -3.709 -30.540 350 HE3 LYS 43 3HE LYS 43 8.286 -3.861 -29.178 351 HZ1 LYS 43 3HZ LYS 43 8.779 -1.709 -28.957 352 HZ2 LYS 43 1HZ LYS 43 10.108 -2.242 -28.171 353 HZ3 LYS 43 2HZ LYS 43 10.208 -1.804 -29.741 354 HA PRO 44 HA PRO 44 11.629 -9.368 -30.503 355 HB2 PRO 44 2HB PRO 44 13.622 -10.387 -28.935 356 HB3 PRO 44 3HB PRO 44 13.562 -8.710 -29.439 357 HG2 PRO 44 2HG PRO 44 12.949 -9.872 -26.791 358 HG3 PRO 44 3HG PRO 44 13.307 -8.207 -27.203 359 HD2 PRO 44 2HD PRO 44 10.725 -9.317 -26.631 360 HD3 PRO 44 3HD PRO 44 11.069 -7.681 -27.155 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -3.322 0.130 -0.774 2 HA2 GLY 1 1HA GLY 1 -1.473 -1.093 0.245 3 HA3 GLY 1 2HA GLY 1 -2.641 -1.884 1.285 4 H ILE 2 HN ILE 2 -1.105 -1.850 -1.858 5 HA ILE 2 HA ILE 2 -2.729 -4.182 -2.609 6 HB ILE 2 HB ILE 2 -1.552 -2.036 -4.376 7 HG12 ILE 2 2HG1 ILE 2 -4.311 -2.427 -4.847 8 HG13 ILE 2 3HG1 ILE 2 -4.126 -2.366 -3.106 9 HG21 ILE 2 1HG2 ILE 2 -3.290 -4.090 -5.578 10 HG22 ILE 2 2HG2 ILE 2 -1.809 -3.321 -6.198 11 HG23 ILE 2 3HG2 ILE 2 -1.694 -4.672 -5.045 12 HD11 ILE 2 3HD1 ILE 2 -3.150 -0.199 -3.150 13 HD12 ILE 2 1HD1 ILE 2 -2.739 -0.326 -4.877 14 HD13 ILE 2 2HD1 ILE 2 -4.435 -0.114 -4.380 15 H ILE 3 HN ILE 3 -1.412 -5.797 -1.790 16 HA ILE 3 HA ILE 3 1.428 -5.644 -2.378 17 HB ILE 3 HB ILE 3 -0.242 -7.538 -0.726 18 HG12 ILE 3 2HG1 ILE 3 1.710 -6.270 0.836 19 HG13 ILE 3 3HG1 ILE 3 1.083 -5.002 -0.198 20 HG21 ILE 3 1HG2 ILE 3 2.492 -7.802 -1.766 21 HG22 ILE 3 2HG2 ILE 3 2.360 -7.993 -0.002 22 HG23 ILE 3 3HG2 ILE 3 1.392 -9.024 -1.083 23 HD11 ILE 3 3HD1 ILE 3 -0.254 -6.481 1.994 24 HD12 ILE 3 1HD1 ILE 3 -0.602 -4.864 1.335 25 HD13 ILE 3 2HD1 ILE 3 -1.247 -6.313 0.527 26 H ASN 4 HN ASN 4 1.775 -6.037 -4.540 27 HA ASN 4 HA ASN 4 1.851 -8.571 -5.437 28 HB2 ASN 4 2HB ASN 4 -0.859 -7.379 -5.749 29 HB3 ASN 4 3HB ASN 4 -0.202 -7.995 -7.252 30 HD21 ASN 4 1HD2 ASN 4 -2.351 -8.871 -5.307 31 HD22 ASN 4 2HD2 ASN 4 -2.048 -10.551 -5.010 32 H THR 5 HN THR 5 1.697 -8.452 -8.150 33 HA THR 5 HA THR 5 2.037 -5.998 -9.404 34 HB THR 5 HB THR 5 4.030 -5.575 -8.130 35 HG1 THR 5 HG1 THR 5 4.244 -5.500 -10.521 36 HG21 THR 5 3HG2 THR 5 4.257 -8.507 -8.153 37 HG22 THR 5 1HG2 THR 5 5.774 -7.737 -8.677 38 HG23 THR 5 2HG2 THR 5 5.071 -7.330 -7.093 39 H LEU 6 HN LEU 6 1.327 -6.519 -11.366 40 HA LEU 6 HA LEU 6 1.279 -7.511 -13.354 41 HB2 LEU 6 2HB LEU 6 3.214 -8.250 -14.087 42 HB3 LEU 6 3HB LEU 6 3.825 -8.196 -12.445 43 HG LEU 6 HG LEU 6 2.811 -10.583 -12.223 44 HD11 LEU 6 1HD1 LEU 6 3.331 -11.303 -14.932 45 HD12 LEU 6 2HD1 LEU 6 1.831 -11.488 -13.992 46 HD13 LEU 6 3HD1 LEU 6 2.120 -9.999 -14.923 47 HD21 LEU 6 3HD2 LEU 6 4.953 -11.400 -13.632 48 HD22 LEU 6 1HD2 LEU 6 5.344 -9.671 -13.468 49 HD23 LEU 6 2HD2 LEU 6 5.060 -10.661 -12.017 50 H GLN 7 HN GLN 7 0.268 -9.423 -14.352 51 HA GLN 7 HA GLN 7 -0.425 -11.585 -12.669 52 HB2 GLN 7 2HB GLN 7 -2.338 -9.312 -13.018 53 HB3 GLN 7 3HB GLN 7 -3.017 -10.916 -13.209 54 HG2 GLN 7 2HG GLN 7 -3.045 -11.182 -10.961 55 HG3 GLN 7 3HG GLN 7 -1.301 -11.022 -10.913 56 HE21 GLN 7 1HE2 GLN 7 -1.199 -9.887 -9.042 57 HE22 GLN 7 2HE2 GLN 7 -1.751 -8.257 -8.847 58 H LYS 8 HN LYS 8 -2.367 -9.978 -15.270 59 HA LYS 8 HA LYS 8 -1.260 -11.295 -17.426 60 HB2 LYS 8 2HB LYS 8 -3.177 -13.013 -17.749 61 HB3 LYS 8 3HB LYS 8 -1.815 -13.428 -16.728 62 HG2 LYS 8 2HG LYS 8 -3.702 -12.073 -15.049 63 HG3 LYS 8 3HG LYS 8 -4.622 -13.212 -16.011 64 HD2 LYS 8 2HD LYS 8 -3.715 -15.032 -14.957 65 HD3 LYS 8 3HD LYS 8 -2.095 -14.363 -14.987 66 HE2 LYS 8 2HE LYS 8 -2.265 -13.706 -12.821 67 HE3 LYS 8 3HE LYS 8 -3.716 -12.786 -13.167 68 HZ1 LYS 8 3HZ LYS 8 -3.462 -15.440 -12.110 69 HZ2 LYS 8 1HZ LYS 8 -4.630 -14.326 -11.861 70 HZ3 LYS 8 2HZ LYS 8 -4.659 -15.254 -13.205 71 H TYR 9 HN TYR 9 -4.763 -11.216 -16.540 72 HA TYR 9 HA TYR 9 -5.709 -10.053 -18.763 73 HB2 TYR 9 2HB TYR 9 -7.575 -9.411 -17.292 74 HB3 TYR 9 3HB TYR 9 -6.875 -10.857 -16.592 75 HD1 TYR 9 HD1 TYR 9 -4.551 -9.917 -15.122 76 HD2 TYR 9 HD2 TYR 9 -8.386 -8.076 -15.573 77 HE1 TYR 9 HE1 TYR 9 -4.227 -8.688 -12.920 78 HE2 TYR 9 HE2 TYR 9 -8.050 -6.853 -13.369 79 HH TYR 9 HH TYR 9 -6.704 -6.431 -11.735 80 H TYR 10 HN TYR 10 -3.756 -8.495 -16.256 81 HA TYR 10 HA TYR 10 -3.815 -6.054 -17.863 82 HB2 TYR 10 2HB TYR 10 -4.602 -4.811 -16.026 83 HB3 TYR 10 3HB TYR 10 -5.290 -6.349 -15.546 84 HD1 TYR 10 HD1 TYR 10 -2.715 -7.746 -14.714 85 HD2 TYR 10 HD2 TYR 10 -4.213 -3.820 -13.910 86 HE1 TYR 10 HE1 TYR 10 -1.373 -7.668 -12.557 87 HE2 TYR 10 HE2 TYR 10 -2.866 -3.755 -11.755 88 HH TYR 10 HH TYR 10 -0.932 -6.562 -10.754 89 H CYS 11 HN CYS 11 -1.999 -8.529 -16.992 90 HA CYS 11 HA CYS 11 0.045 -7.831 -15.428 91 HB2 CYS 11 2HB CYS 11 0.543 -9.851 -16.212 92 HB3 CYS 11 3HB CYS 11 -0.310 -9.583 -17.720 93 H ARG 12 HN ARG 12 2.310 -6.992 -16.038 94 HA ARG 12 HA ARG 12 3.674 -5.683 -17.208 95 HB2 ARG 12 2HB ARG 12 1.902 -5.883 -19.184 96 HB3 ARG 12 3HB ARG 12 1.411 -4.282 -18.668 97 HG2 ARG 12 2HG ARG 12 3.124 -3.420 -19.876 98 HG3 ARG 12 3HG ARG 12 4.243 -4.171 -18.755 99 HD2 ARG 12 2HD ARG 12 3.055 -5.879 -20.950 100 HD3 ARG 12 3HD ARG 12 4.317 -4.739 -21.375 101 HE ARG 12 HE ARG 12 4.964 -6.379 -19.028 102 HH11 ARG 12 2HH2 ARG 12 5.100 -6.167 -22.538 103 HH12 ARG 12 1HH2 ARG 12 6.413 -7.288 -22.682 104 HH21 ARG 12 2HH1 ARG 12 6.696 -7.857 -19.218 105 HH22 ARG 12 1HH1 ARG 12 7.327 -8.255 -20.781 106 H VAL 13 HN VAL 13 0.440 -4.078 -16.694 107 HA VAL 13 HA VAL 13 0.997 -2.765 -14.398 108 HB VAL 13 HB VAL 13 2.818 -1.576 -15.131 109 HG11 VAL 13 1HG1 VAL 13 1.633 -1.954 -17.771 110 HG12 VAL 13 2HG1 VAL 13 2.302 -0.318 -17.563 111 HG13 VAL 13 3HG1 VAL 13 3.337 -1.742 -17.302 112 HG21 VAL 13 3HG2 VAL 13 2.126 0.504 -14.669 113 HG22 VAL 13 1HG2 VAL 13 1.156 0.598 -16.158 114 HG23 VAL 13 2HG2 VAL 13 0.470 -0.150 -14.695 115 H ARG 14 HN ARG 14 0.090 -0.693 -17.137 116 HA ARG 14 HA ARG 14 -2.569 -1.495 -17.248 117 HB2 ARG 14 2HB ARG 14 -2.370 -0.342 -14.899 118 HB3 ARG 14 3HB ARG 14 -2.234 1.160 -15.791 119 HG2 ARG 14 2HG ARG 14 -4.423 0.042 -17.034 120 HG3 ARG 14 3HG ARG 14 -4.604 -0.620 -15.422 121 HD2 ARG 14 2HD ARG 14 -4.314 2.345 -16.113 122 HD3 ARG 14 3HD ARG 14 -5.794 1.548 -15.615 123 HE ARG 14 HE ARG 14 -3.724 1.091 -13.655 124 HH11 ARG 14 2HH2 ARG 14 -5.924 3.578 -14.823 125 HH12 ARG 14 1HH2 ARG 14 -5.977 4.421 -13.310 126 HH21 ARG 14 2HH1 ARG 14 -3.795 2.203 -11.660 127 HH22 ARG 14 1HH1 ARG 14 -4.758 3.633 -11.499 128 H GLY 15 HN GLY 15 -3.632 -0.416 -18.998 129 HA2 GLY 15 1HA GLY 15 -3.918 1.108 -20.664 130 HA3 GLY 15 2HA GLY 15 -2.591 2.065 -20.036 131 H ALA 16 HN ALA 16 -0.337 0.678 -20.139 132 HA ALA 16 HA ALA 16 -0.091 0.036 -22.968 133 HB1 ALA 16 1HB ALA 16 1.375 1.712 -21.629 134 HB2 ALA 16 2HB ALA 16 2.155 0.263 -20.951 135 HB3 ALA 16 3HB ALA 16 2.194 0.555 -22.706 136 H ILE 17 HN ILE 17 -1.478 -1.799 -21.081 137 HA ILE 17 HA ILE 17 0.362 -3.892 -20.481 138 HB ILE 17 HB ILE 17 -1.362 -4.878 -19.407 139 HG12 ILE 17 2HG1 ILE 17 -3.037 -4.002 -21.735 140 HG13 ILE 17 3HG1 ILE 17 -2.778 -5.610 -21.087 141 HG21 ILE 17 1HG2 ILE 17 -2.930 -2.366 -19.504 142 HG22 ILE 17 2HG2 ILE 17 -2.294 -3.280 -18.115 143 HG23 ILE 17 3HG2 ILE 17 -1.217 -2.211 -19.045 144 HD11 ILE 17 3HD1 ILE 17 -3.938 -4.366 -18.917 145 HD12 ILE 17 1HD1 ILE 17 -4.741 -3.536 -20.271 146 HD13 ILE 17 2HD1 ILE 17 -4.834 -5.308 -20.132 147 H CYS 18 HN CYS 18 0.640 -5.895 -21.544 148 HA CYS 18 HA CYS 18 0.827 -7.235 -23.269 149 HB2 CYS 18 2HB CYS 18 -1.783 -6.151 -24.332 150 HB3 CYS 18 3HB CYS 18 -1.052 -7.708 -24.667 151 H HIS 19 HN HIS 19 1.600 -7.243 -25.512 152 HA HIS 19 HA HIS 19 3.018 -5.125 -26.297 153 HB2 HIS 19 2HB HIS 19 3.171 -7.358 -27.282 154 HB3 HIS 19 3HB HIS 19 1.630 -7.138 -28.088 155 HD1 HIS 19 HD1 HIS 19 1.939 -4.367 -29.351 156 HD2 HIS 19 HD2 HIS 19 4.995 -7.241 -29.313 157 HE1 HIS 19 HE1 HIS 19 3.502 -3.774 -31.279 158 HE2 HIS 19 HE2 HIS 19 5.388 -5.542 -31.171 159 HA PRO 20 HA PRO 20 0.173 -2.114 -27.581 160 HB2 PRO 20 2HB PRO 20 1.895 -0.352 -28.763 161 HB3 PRO 20 3HB PRO 20 1.627 -0.415 -27.033 162 HG2 PRO 20 2HG PRO 20 3.946 -1.388 -28.586 163 HG3 PRO 20 3HG PRO 20 3.837 -1.054 -26.869 164 HD2 PRO 20 2HD PRO 20 3.807 -3.635 -28.121 165 HD3 PRO 20 3HD PRO 20 3.582 -3.294 -26.417 166 H VAL 21 HN VAL 21 -1.244 -1.723 -29.209 167 HA VAL 21 HA VAL 21 -1.944 -1.619 -31.331 168 HB VAL 21 HB VAL 21 0.658 -2.723 -32.350 169 HG11 VAL 21 1HG1 VAL 21 -0.691 -2.475 -34.179 170 HG12 VAL 21 2HG1 VAL 21 -1.650 -1.171 -33.439 171 HG13 VAL 21 3HG1 VAL 21 -0.033 -0.823 -34.098 172 HG21 VAL 21 3HG2 VAL 21 0.282 -0.235 -30.863 173 HG22 VAL 21 1HG2 VAL 21 1.780 -1.043 -31.384 174 HG23 VAL 21 2HG2 VAL 21 0.918 0.040 -32.503 175 H PHE 22 HN PHE 22 0.251 -4.457 -30.754 176 HA PHE 22 HA PHE 22 -1.946 -6.233 -30.716 177 HB2 PHE 22 2HB PHE 22 -1.680 -7.238 -32.869 178 HB3 PHE 22 3HB PHE 22 -1.431 -5.544 -33.239 179 HD1 PHE 22 HD1 PHE 22 1.407 -5.539 -31.866 180 HD2 PHE 22 HD2 PHE 22 -0.440 -7.967 -34.817 181 HE1 PHE 22 HE1 PHE 22 3.660 -6.081 -32.832 182 HE2 PHE 22 HE2 PHE 22 1.812 -8.508 -35.782 183 HZ PHE 22 HZ PHE 22 3.835 -7.559 -34.778 184 H CYS 23 HN CYS 23 -0.852 -8.658 -31.148 185 HA CYS 23 HA CYS 23 1.625 -8.583 -29.581 186 HB2 CYS 23 2HB CYS 23 -0.517 -9.401 -28.421 187 HB3 CYS 23 3HB CYS 23 -0.394 -10.816 -29.448 188 HA PRO 24 HA PRO 24 3.088 -10.787 -33.069 189 HB2 PRO 24 2HB PRO 24 5.614 -11.336 -32.180 190 HB3 PRO 24 3HB PRO 24 5.166 -9.807 -32.909 191 HG2 PRO 24 2HG PRO 24 5.658 -10.428 -30.061 192 HG3 PRO 24 3HG PRO 24 5.632 -8.866 -30.856 193 HD2 PRO 24 2HD PRO 24 3.571 -9.985 -29.204 194 HD3 PRO 24 3HD PRO 24 3.498 -8.477 -30.092 195 H ARG 25 HN ARG 25 5.125 -12.854 -32.790 196 HA ARG 25 HA ARG 25 3.489 -14.821 -31.417 197 HB2 ARG 25 2HB ARG 25 4.260 -14.730 -34.291 198 HB3 ARG 25 3HB ARG 25 4.596 -16.269 -33.524 199 HG2 ARG 25 2HG ARG 25 2.173 -16.166 -32.599 200 HG3 ARG 25 3HG ARG 25 1.912 -14.840 -33.715 201 HD2 ARG 25 2HD ARG 25 2.440 -16.261 -35.640 202 HD3 ARG 25 3HD ARG 25 2.963 -17.569 -34.598 203 HE ARG 25 HE ARG 25 0.365 -17.120 -33.761 204 HH11 ARG 25 2HH2 ARG 25 1.830 -17.726 -36.903 205 HH12 ARG 25 1HH2 ARG 25 0.423 -18.501 -37.551 206 HH21 ARG 25 2HH1 ARG 25 -1.491 -18.143 -34.616 207 HH22 ARG 25 1HH1 ARG 25 -1.478 -18.740 -36.242 208 H ARG 26 HN ARG 26 4.764 -16.844 -30.847 209 HA ARG 26 HA ARG 26 6.521 -17.912 -30.157 210 HB2 ARG 26 2HB ARG 26 8.435 -15.900 -31.400 211 HB3 ARG 26 3HB ARG 26 8.697 -17.610 -31.124 212 HG2 ARG 26 2HG ARG 26 6.642 -17.921 -32.773 213 HG3 ARG 26 3HG ARG 26 7.009 -16.278 -33.261 214 HD2 ARG 26 2HD ARG 26 8.449 -17.317 -34.727 215 HD3 ARG 26 3HD ARG 26 9.529 -17.329 -33.347 216 HE ARG 26 HE ARG 26 7.785 -19.648 -33.318 217 HH11 ARG 26 2HH2 ARG 26 10.685 -18.339 -34.822 218 HH12 ARG 26 1HH2 ARG 26 11.354 -19.895 -35.184 219 HH21 ARG 26 2HH1 ARG 26 8.667 -21.701 -33.796 220 HH22 ARG 26 1HH1 ARG 26 10.199 -21.820 -34.596 221 H TYR 27 HN TYR 27 5.858 -14.629 -29.544 222 HA TYR 27 HA TYR 27 7.838 -13.670 -27.961 223 HB2 TYR 27 2HB TYR 27 5.633 -12.829 -26.635 224 HB3 TYR 27 3HB TYR 27 5.931 -12.279 -28.272 225 HD1 TYR 27 HD2 TYR 27 4.903 -15.755 -27.642 226 HD2 TYR 27 HD1 TYR 27 3.562 -11.821 -28.658 227 HE1 TYR 27 HE2 TYR 27 2.659 -16.701 -28.372 228 HE2 TYR 27 HE1 TYR 27 1.322 -12.780 -29.384 229 HH TYR 27 HH TYR 27 0.811 -15.772 -30.161 230 H LYS 28 HN LYS 28 5.016 -14.484 -26.014 231 HA LYS 28 HA LYS 28 5.664 -16.788 -24.795 232 HB2 LYS 28 2HB LYS 28 7.621 -14.713 -24.080 233 HB3 LYS 28 3HB LYS 28 6.868 -15.471 -22.692 234 HG2 LYS 28 2HG LYS 28 7.782 -17.553 -23.147 235 HG3 LYS 28 3HG LYS 28 7.709 -17.330 -24.884 236 HD2 LYS 28 2HD LYS 28 9.943 -16.921 -24.812 237 HD3 LYS 28 3HD LYS 28 9.550 -15.376 -24.085 238 HE2 LYS 28 2HE LYS 28 9.404 -16.975 -21.865 239 HE3 LYS 28 3HE LYS 28 10.585 -17.875 -22.796 240 HZ1 LYS 28 3HZ LYS 28 11.766 -16.310 -21.570 241 HZ2 LYS 28 1HZ LYS 28 11.743 -15.692 -23.081 242 HZ3 LYS 28 2HZ LYS 28 10.753 -15.081 -21.934 243 H GLN 29 HN GLN 29 3.367 -16.666 -24.736 244 HA GLN 29 HA GLN 29 1.861 -14.667 -23.786 245 HB2 GLN 29 2HB GLN 29 1.102 -16.890 -24.761 246 HB3 GLN 29 3HB GLN 29 1.349 -17.612 -23.184 247 HG2 GLN 29 2HG GLN 29 -0.240 -15.137 -23.012 248 HG3 GLN 29 3HG GLN 29 -0.983 -16.311 -24.079 249 HE21 GLN 29 1HE2 GLN 29 -1.306 -18.488 -23.293 250 HE22 GLN 29 2HE2 GLN 29 -1.629 -18.773 -21.616 251 H ILE 30 HN ILE 30 1.702 -13.568 -21.880 252 HA ILE 30 HA ILE 30 2.515 -15.012 -19.455 253 HB ILE 30 HB ILE 30 3.358 -12.351 -20.500 254 HG12 ILE 30 2HG1 ILE 30 5.191 -13.717 -18.737 255 HG13 ILE 30 3HG1 ILE 30 4.584 -14.839 -19.939 256 HG21 ILE 30 1HG2 ILE 30 3.993 -11.636 -18.217 257 HG22 ILE 30 2HG2 ILE 30 2.231 -11.718 -18.459 258 HG23 ILE 30 3HG2 ILE 30 3.067 -13.005 -17.555 259 HD11 ILE 30 3HD1 ILE 30 6.291 -13.918 -21.189 260 HD12 ILE 30 1HD1 ILE 30 5.037 -12.712 -21.563 261 HD13 ILE 30 2HD1 ILE 30 6.248 -12.375 -20.303 262 H GLY 31 HN GLY 31 -0.028 -13.812 -21.179 263 HA2 GLY 31 1HA GLY 31 -2.079 -14.054 -19.675 264 HA3 GLY 31 2HA GLY 31 -1.395 -12.685 -18.822 265 H THR 32 HN THR 32 -3.597 -13.557 -21.190 266 HA THR 32 HA THR 32 -3.151 -11.289 -22.936 267 HB THR 32 HB THR 32 -5.064 -12.285 -24.159 268 HG1 THR 32 HG1 THR 32 -5.094 -14.303 -22.072 269 HG21 THR 32 3HG2 THR 32 -3.487 -13.775 -24.915 270 HG22 THR 32 1HG2 THR 32 -2.746 -13.919 -23.303 271 HG23 THR 32 2HG2 THR 32 -4.169 -14.904 -23.720 272 H CYS 33 HN CYS 33 -4.444 -9.458 -23.136 273 HA CYS 33 HA CYS 33 -6.056 -8.968 -20.748 274 HB2 CYS 33 2HB CYS 33 -5.784 -6.533 -21.488 275 HB3 CYS 33 3HB CYS 33 -4.413 -7.349 -20.763 276 H GLY 34 HN GLY 34 -8.006 -7.435 -21.218 277 HA2 GLY 34 1HA GLY 34 -9.934 -8.534 -22.673 278 HA3 GLY 34 2HA GLY 34 -9.795 -6.798 -22.477 279 H LEU 35 HN LEU 35 -7.595 -6.085 -24.005 280 HA LEU 35 HA LEU 35 -8.534 -5.773 -26.491 281 HB2 LEU 35 2HB LEU 35 -5.801 -5.884 -25.322 282 HB3 LEU 35 3HB LEU 35 -5.932 -5.866 -27.070 283 HG LEU 35 HG LEU 35 -7.495 -3.799 -26.676 284 HD11 LEU 35 1HD1 LEU 35 -6.555 -4.360 -23.990 285 HD12 LEU 35 2HD1 LEU 35 -6.099 -2.721 -24.514 286 HD13 LEU 35 3HD1 LEU 35 -7.805 -3.225 -24.552 287 HD21 LEU 35 3HD2 LEU 35 -4.650 -3.137 -26.093 288 HD22 LEU 35 1HD2 LEU 35 -4.999 -4.064 -27.572 289 HD23 LEU 35 2HD2 LEU 35 -5.761 -2.476 -27.316 290 HA PRO 36 HA PRO 36 -8.588 -9.835 -28.080 291 HB2 PRO 36 2HB PRO 36 -9.863 -9.268 -30.430 292 HB3 PRO 36 3HB PRO 36 -10.713 -9.573 -28.928 293 HG2 PRO 36 2HG PRO 36 -10.252 -6.999 -30.308 294 HG3 PRO 36 3HG PRO 36 -11.430 -7.385 -29.069 295 HD2 PRO 36 2HD PRO 36 -8.983 -5.930 -28.718 296 HD3 PRO 36 3HD PRO 36 -10.103 -6.416 -27.461 297 H GLY 37 HN GLY 37 -6.406 -10.282 -28.257 298 HA2 GLY 37 1HA GLY 37 -5.004 -11.069 -30.065 299 HA3 GLY 37 2HA GLY 37 -5.361 -9.591 -30.937 300 H THR 38 HN THR 38 -5.113 -8.957 -27.573 301 HA THR 38 HA THR 38 -2.256 -8.299 -27.846 302 HB THR 38 HB THR 38 -4.196 -6.550 -26.306 303 HG1 THR 38 HG1 THR 38 -4.987 -7.024 -28.553 304 HG21 THR 38 3HG2 THR 38 -2.426 -5.105 -26.329 305 HG22 THR 38 1HG2 THR 38 -1.439 -6.411 -27.027 306 HG23 THR 38 2HG2 THR 38 -2.277 -5.261 -28.095 307 H LYS 39 HN LYS 39 -1.140 -9.585 -26.522 308 HA LYS 39 HA LYS 39 -2.234 -9.919 -23.823 309 HB2 LYS 39 2HB LYS 39 -1.535 -12.242 -23.798 310 HB3 LYS 39 3HB LYS 39 -2.677 -11.968 -25.097 311 HG2 LYS 39 2HG LYS 39 -0.950 -13.276 -26.092 312 HG3 LYS 39 3HG LYS 39 -0.637 -11.645 -26.650 313 HD2 LYS 39 2HD LYS 39 1.241 -11.373 -25.263 314 HD3 LYS 39 3HD LYS 39 0.676 -12.540 -24.084 315 HE2 LYS 39 2HE LYS 39 1.873 -13.111 -26.828 316 HE3 LYS 39 3HE LYS 39 2.523 -13.567 -25.266 317 HZ1 LYS 39 3HZ LYS 39 0.319 -14.818 -25.042 318 HZ2 LYS 39 1HZ LYS 39 0.228 -14.687 -26.667 319 HZ3 LYS 39 2HZ LYS 39 1.491 -15.461 -25.979 320 H CYS 40 HN CYS 40 -0.356 -10.805 -22.329 321 HA CYS 40 HA CYS 40 1.717 -8.868 -22.570 322 HB2 CYS 40 2HB CYS 40 0.677 -10.671 -20.524 323 HB3 CYS 40 3HB CYS 40 2.428 -10.601 -20.519 324 H CYS 41 HN CYS 41 2.991 -9.371 -24.410 325 HA CYS 41 HA CYS 41 4.189 -12.042 -24.392 326 HB2 CYS 41 2HB CYS 41 4.825 -10.957 -26.829 327 HB3 CYS 41 3HB CYS 41 3.532 -12.095 -26.506 328 H LYS 42 HN LYS 42 6.519 -12.181 -24.612 329 HA LYS 42 HA LYS 42 7.854 -9.676 -23.881 330 HB2 LYS 42 2HB LYS 42 7.928 -11.556 -22.242 331 HB3 LYS 42 3HB LYS 42 8.771 -12.531 -23.429 332 HG2 LYS 42 2HG LYS 42 9.981 -9.851 -23.064 333 HG3 LYS 42 3HG LYS 42 9.975 -10.804 -21.594 334 HD2 LYS 42 2HD LYS 42 10.750 -12.574 -23.714 335 HD3 LYS 42 3HD LYS 42 11.665 -11.096 -23.937 336 HE2 LYS 42 2HE LYS 42 11.460 -12.474 -21.225 337 HE3 LYS 42 3HE LYS 42 12.704 -12.891 -22.386 338 HZ1 LYS 42 3HZ LYS 42 12.565 -10.111 -22.113 339 HZ2 LYS 42 1HZ LYS 42 12.712 -10.784 -20.632 340 HZ3 LYS 42 2HZ LYS 42 13.818 -11.107 -21.790 341 H LYS 43 HN LYS 43 9.874 -9.126 -24.910 342 HA LYS 43 HA LYS 43 10.375 -10.606 -27.386 343 HB2 LYS 43 2HB LYS 43 8.939 -8.492 -27.696 344 HB3 LYS 43 3HB LYS 43 10.384 -7.587 -27.291 345 HG2 LYS 43 2HG LYS 43 11.572 -9.029 -29.122 346 HG3 LYS 43 3HG LYS 43 9.958 -9.474 -29.639 347 HD2 LYS 43 2HD LYS 43 10.719 -6.554 -29.271 348 HD3 LYS 43 3HD LYS 43 11.105 -7.398 -30.757 349 HE2 LYS 43 2HE LYS 43 8.962 -7.225 -31.494 350 HE3 LYS 43 3HE LYS 43 8.340 -7.952 -30.026 351 HZ1 LYS 43 3HZ LYS 43 9.062 -5.498 -29.224 352 HZ2 LYS 43 1HZ LYS 43 8.511 -5.204 -30.733 353 HZ3 LYS 43 2HZ LYS 43 7.545 -5.937 -29.640 354 HA PRO 44 HA PRO 44 14.188 -10.127 -25.111 355 HB2 PRO 44 2HB PRO 44 15.175 -12.624 -25.619 356 HB3 PRO 44 3HB PRO 44 14.220 -12.242 -24.201 357 HG2 PRO 44 2HG PRO 44 13.415 -13.713 -26.635 358 HG3 PRO 44 3HG PRO 44 12.642 -13.685 -25.062 359 HD2 PRO 44 2HD PRO 44 11.784 -12.295 -27.420 360 HD3 PRO 44 3HD PRO 44 11.080 -12.178 -25.820 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 4.235 -6.476 0.391 2 HA2 GLY 1 1HA GLY 1 6.255 -7.481 -1.128 3 HA3 GLY 1 2HA GLY 1 5.419 -8.376 0.125 4 H ILE 2 HN ILE 2 2.977 -9.026 -0.743 5 HA ILE 2 HA ILE 2 3.226 -9.984 -3.486 6 HB ILE 2 HB ILE 2 4.101 -11.825 -2.329 7 HG12 ILE 2 2HG1 ILE 2 1.590 -13.166 -2.295 8 HG13 ILE 2 3HG1 ILE 2 1.517 -11.970 -3.573 9 HG21 ILE 2 1HG2 ILE 2 2.953 -12.873 -0.379 10 HG22 ILE 2 2HG2 ILE 2 3.598 -11.246 -0.055 11 HG23 ILE 2 3HG2 ILE 2 1.854 -11.473 -0.329 12 HD11 ILE 2 3HD1 ILE 2 4.015 -12.926 -4.049 13 HD12 ILE 2 1HD1 ILE 2 3.282 -14.373 -3.317 14 HD13 ILE 2 2HD1 ILE 2 2.555 -13.645 -4.769 15 H ILE 3 HN ILE 3 1.655 -8.413 -4.056 16 HA ILE 3 HA ILE 3 -1.027 -9.209 -3.256 17 HB ILE 3 HB ILE 3 -1.435 -6.591 -3.201 18 HG12 ILE 3 2HG1 ILE 3 1.257 -6.692 -1.857 19 HG13 ILE 3 3HG1 ILE 3 1.133 -6.313 -3.563 20 HG21 ILE 3 1HG2 ILE 3 -2.001 -8.310 -1.478 21 HG22 ILE 3 2HG2 ILE 3 -0.376 -8.083 -0.789 22 HG23 ILE 3 3HG2 ILE 3 -1.529 -6.728 -0.813 23 HD11 ILE 3 3HD1 ILE 3 0.769 -4.168 -2.899 24 HD12 ILE 3 1HD1 ILE 3 -0.864 -4.714 -2.446 25 HD13 ILE 3 2HD1 ILE 3 0.429 -4.664 -1.224 26 H ASN 4 HN ASN 4 -0.466 -6.135 -4.853 27 HA ASN 4 HA ASN 4 -1.584 -7.286 -7.233 28 HB2 ASN 4 2HB ASN 4 -1.899 -4.964 -7.952 29 HB3 ASN 4 3HB ASN 4 -2.393 -5.081 -6.275 30 HD21 ASN 4 1HD2 ASN 4 0.075 -4.006 -8.501 31 HD22 ASN 4 2HD2 ASN 4 0.903 -2.910 -7.445 32 H THR 5 HN THR 5 -0.447 -7.397 -9.251 33 HA THR 5 HA THR 5 2.074 -6.089 -9.594 34 HB THR 5 HB THR 5 2.937 -7.882 -8.221 35 HG1 THR 5 HG1 THR 5 4.333 -8.383 -9.870 36 HG21 THR 5 3HG2 THR 5 1.749 -10.011 -10.006 37 HG22 THR 5 1HG2 THR 5 2.250 -10.124 -8.301 38 HG23 THR 5 2HG2 THR 5 0.715 -9.329 -8.727 39 H LEU 6 HN LEU 6 0.186 -8.975 -10.732 40 HA LEU 6 HA LEU 6 -0.577 -7.733 -13.110 41 HB2 LEU 6 2HB LEU 6 0.875 -8.485 -14.727 42 HB3 LEU 6 3HB LEU 6 1.942 -7.952 -13.442 43 HG LEU 6 HG LEU 6 1.754 -10.548 -12.763 44 HD11 LEU 6 1HD1 LEU 6 1.571 -12.025 -14.578 45 HD12 LEU 6 2HD1 LEU 6 0.209 -10.895 -14.769 46 HD13 LEU 6 3HD1 LEU 6 1.666 -10.710 -15.775 47 HD21 LEU 6 3HD2 LEU 6 3.610 -9.206 -14.729 48 HD22 LEU 6 1HD2 LEU 6 3.861 -9.534 -12.997 49 HD23 LEU 6 2HD2 LEU 6 3.860 -10.876 -14.166 50 H GLN 7 HN GLN 7 -2.273 -8.883 -13.960 51 HA GLN 7 HA GLN 7 -2.476 -11.643 -13.040 52 HB2 GLN 7 2HB GLN 7 -4.003 -9.971 -11.827 53 HB3 GLN 7 3HB GLN 7 -4.843 -9.752 -13.350 54 HG2 GLN 7 2HG GLN 7 -5.886 -11.792 -13.219 55 HG3 GLN 7 3HG GLN 7 -4.450 -12.603 -12.628 56 HE21 GLN 7 1HE2 GLN 7 -6.204 -13.632 -11.329 57 HE22 GLN 7 2HE2 GLN 7 -6.598 -12.942 -9.790 58 H LYS 8 HN LYS 8 -3.779 -9.193 -15.391 59 HA LYS 8 HA LYS 8 -3.055 -10.509 -17.662 60 HB2 LYS 8 2HB LYS 8 -5.487 -11.409 -18.232 61 HB3 LYS 8 3HB LYS 8 -4.273 -12.419 -17.473 62 HG2 LYS 8 2HG LYS 8 -5.537 -12.647 -15.602 63 HG3 LYS 8 3HG LYS 8 -5.670 -10.910 -15.417 64 HD2 LYS 8 2HD LYS 8 -7.374 -11.415 -17.572 65 HD3 LYS 8 3HD LYS 8 -7.606 -12.834 -16.571 66 HE2 LYS 8 2HE LYS 8 -7.542 -10.413 -14.920 67 HE3 LYS 8 3HE LYS 8 -8.748 -10.263 -16.183 68 HZ1 LYS 8 3HZ LYS 8 -9.641 -12.390 -15.493 69 HZ2 LYS 8 1HZ LYS 8 -8.524 -12.515 -14.308 70 HZ3 LYS 8 2HZ LYS 8 -9.647 -11.331 -14.250 71 H TYR 9 HN TYR 9 -6.454 -9.520 -16.989 72 HA TYR 9 HA TYR 9 -6.765 -7.792 -19.013 73 HB2 TYR 9 2HB TYR 9 -8.540 -6.864 -17.576 74 HB3 TYR 9 3HB TYR 9 -8.367 -8.549 -17.127 75 HD1 TYR 9 HD1 TYR 9 -5.999 -8.535 -15.380 76 HD2 TYR 9 HD2 TYR 9 -9.217 -5.729 -15.655 77 HE1 TYR 9 HE1 TYR 9 -5.615 -7.846 -12.963 78 HE2 TYR 9 HE2 TYR 9 -8.822 -5.050 -13.237 79 HH TYR 9 HH TYR 9 -6.370 -6.702 -11.279 80 H TYR 10 HN TYR 10 -4.703 -7.330 -16.197 81 HA TYR 10 HA TYR 10 -3.899 -4.757 -17.304 82 HB2 TYR 10 2HB TYR 10 -4.418 -3.624 -15.277 83 HB3 TYR 10 3HB TYR 10 -5.713 -4.805 -15.292 84 HD1 TYR 10 HD1 TYR 10 -3.903 -7.228 -14.576 85 HD2 TYR 10 HD2 TYR 10 -4.334 -3.316 -12.899 86 HE1 TYR 10 HE1 TYR 10 -3.126 -8.103 -12.319 87 HE2 TYR 10 HE2 TYR 10 -3.556 -4.204 -10.647 88 HH TYR 10 HH TYR 10 -2.905 -7.656 -10.198 89 H CYS 11 HN CYS 11 -2.926 -7.709 -16.884 90 HA CYS 11 HA CYS 11 -1.020 -7.932 -15.004 91 HB2 CYS 11 2HB CYS 11 -0.851 -9.843 -16.100 92 HB3 CYS 11 3HB CYS 11 -1.613 -9.162 -17.523 93 H ARG 12 HN ARG 12 0.348 -6.262 -14.398 94 HA ARG 12 HA ARG 12 1.566 -4.436 -14.633 95 HB2 ARG 12 2HB ARG 12 3.002 -6.708 -15.028 96 HB3 ARG 12 3HB ARG 12 3.349 -5.923 -16.556 97 HG2 ARG 12 2HG ARG 12 3.731 -3.821 -14.815 98 HG3 ARG 12 3HG ARG 12 4.204 -5.167 -13.798 99 HD2 ARG 12 2HD ARG 12 6.147 -5.481 -14.951 100 HD3 ARG 12 3HD ARG 12 5.323 -5.457 -16.498 101 HE ARG 12 HE ARG 12 5.483 -2.792 -15.351 102 HH11 ARG 12 2HH2 ARG 12 7.335 -5.216 -17.106 103 HH12 ARG 12 1HH2 ARG 12 8.405 -4.061 -17.828 104 HH21 ARG 12 2HH1 ARG 12 6.895 -1.268 -16.303 105 HH22 ARG 12 1HH1 ARG 12 8.153 -1.800 -17.368 106 H VAL 13 HN VAL 13 3.485 -4.006 -16.999 107 HA VAL 13 HA VAL 13 3.545 -2.803 -18.850 108 HB VAL 13 HB VAL 13 0.910 -3.996 -19.673 109 HG11 VAL 13 1HG1 VAL 13 1.949 -4.011 -21.895 110 HG12 VAL 13 2HG1 VAL 13 1.970 -2.377 -21.188 111 HG13 VAL 13 3HG1 VAL 13 3.455 -3.359 -21.205 112 HG21 VAL 13 3HG2 VAL 13 2.898 -5.750 -20.564 113 HG22 VAL 13 1HG2 VAL 13 3.299 -5.444 -18.856 114 HG23 VAL 13 2HG2 VAL 13 1.687 -6.058 -19.296 115 H ARG 14 HN ARG 14 3.372 -0.741 -17.930 116 HA ARG 14 HA ARG 14 0.981 0.309 -17.035 117 HB2 ARG 14 2HB ARG 14 3.518 1.098 -16.778 118 HB3 ARG 14 3HB ARG 14 3.164 2.071 -18.192 119 HG2 ARG 14 2HG ARG 14 0.976 2.337 -16.300 120 HG3 ARG 14 3HG ARG 14 2.487 2.624 -15.460 121 HD2 ARG 14 2HD ARG 14 3.068 4.461 -16.844 122 HD3 ARG 14 3HD ARG 14 2.028 3.937 -18.153 123 HE ARG 14 HE ARG 14 0.478 4.519 -15.771 124 HH11 ARG 14 2HH2 ARG 14 2.134 6.041 -18.478 125 HH12 ARG 14 1HH2 ARG 14 1.148 7.465 -18.445 126 HH21 ARG 14 2HH1 ARG 14 -0.823 6.397 -15.728 127 HH22 ARG 14 1HH1 ARG 14 -0.545 7.669 -16.871 128 H GLY 15 HN GLY 15 2.825 0.952 -20.114 129 HA2 GLY 15 1HA GLY 15 0.483 2.263 -21.261 130 HA3 GLY 15 2HA GLY 15 2.102 2.189 -21.928 131 H ALA 16 HN ALA 16 -1.067 0.756 -21.883 132 HA ALA 16 HA ALA 16 -1.954 -0.634 -23.409 133 HB1 ALA 16 1HB ALA 16 0.288 -0.040 -24.729 134 HB2 ALA 16 2HB ALA 16 0.696 -1.721 -24.308 135 HB3 ALA 16 3HB ALA 16 -0.771 -1.371 -25.252 136 H ILE 17 HN ILE 17 -2.873 -1.897 -21.787 137 HA ILE 17 HA ILE 17 -1.718 -3.441 -19.943 138 HB ILE 17 HB ILE 17 -3.721 -4.955 -20.195 139 HG12 ILE 17 2HG1 ILE 17 -4.129 -3.191 -22.601 140 HG13 ILE 17 3HG1 ILE 17 -4.239 -4.936 -22.478 141 HG21 ILE 17 1HG2 ILE 17 -5.173 -3.386 -19.228 142 HG22 ILE 17 2HG2 ILE 17 -3.540 -2.797 -18.836 143 HG23 ILE 17 3HG2 ILE 17 -4.471 -2.032 -20.146 144 HD11 ILE 17 3HD1 ILE 17 -6.235 -2.839 -21.650 145 HD12 ILE 17 1HD1 ILE 17 -6.501 -4.390 -22.482 146 HD13 ILE 17 2HD1 ILE 17 -6.188 -4.362 -20.730 147 H CYS 18 HN CYS 18 -2.082 -4.238 -23.430 148 HA CYS 18 HA CYS 18 -0.107 -6.340 -22.988 149 HB2 CYS 18 2HB CYS 18 -2.731 -6.620 -24.445 150 HB3 CYS 18 3HB CYS 18 -1.366 -7.664 -24.786 151 H HIS 19 HN HIS 19 0.813 -7.006 -25.285 152 HA HIS 19 HA HIS 19 2.095 -4.960 -26.409 153 HB2 HIS 19 2HB HIS 19 2.553 -7.310 -26.878 154 HB3 HIS 19 3HB HIS 19 1.072 -7.447 -27.805 155 HD1 HIS 19 HD1 HIS 19 1.180 -5.050 -29.666 156 HD2 HIS 19 HD2 HIS 19 4.554 -7.360 -28.729 157 HE1 HIS 19 HE1 HIS 19 2.844 -4.689 -31.567 158 HE2 HIS 19 HE2 HIS 19 4.917 -6.090 -30.908 159 HA PRO 20 HA PRO 20 -0.881 -2.609 -28.514 160 HB2 PRO 20 2HB PRO 20 0.778 -0.938 -29.900 161 HB3 PRO 20 3HB PRO 20 0.343 -0.681 -28.222 162 HG2 PRO 20 2HG PRO 20 2.890 -1.678 -29.345 163 HG3 PRO 20 3HG PRO 20 2.576 -1.020 -27.752 164 HD2 PRO 20 2HD PRO 20 2.917 -3.786 -28.430 165 HD3 PRO 20 3HD PRO 20 2.488 -3.137 -26.859 166 H VAL 21 HN VAL 21 -2.122 -2.610 -30.343 167 HA VAL 21 HA VAL 21 -2.624 -3.054 -32.468 168 HB VAL 21 HB VAL 21 0.176 -4.008 -33.009 169 HG11 VAL 21 1HG1 VAL 21 -0.546 -2.609 -35.182 170 HG12 VAL 21 2HG1 VAL 21 -0.957 -4.327 -34.963 171 HG13 VAL 21 3HG1 VAL 21 -2.164 -3.070 -34.601 172 HG21 VAL 21 3HG2 VAL 21 -0.653 -1.326 -32.170 173 HG22 VAL 21 1HG2 VAL 21 0.976 -2.027 -32.327 174 HG23 VAL 21 2HG2 VAL 21 0.161 -1.340 -33.753 175 H PHE 22 HN PHE 22 -0.148 -5.477 -31.350 176 HA PHE 22 HA PHE 22 -2.188 -7.457 -31.083 177 HB2 PHE 22 2HB PHE 22 -1.568 -8.794 -32.961 178 HB3 PHE 22 3HB PHE 22 -1.409 -7.181 -33.627 179 HD1 PHE 22 HD1 PHE 22 1.213 -6.613 -31.985 180 HD2 PHE 22 HD2 PHE 22 -0.028 -9.751 -34.558 181 HE1 PHE 22 HE1 PHE 22 3.609 -7.087 -32.562 182 HE2 PHE 22 HE2 PHE 22 2.368 -10.225 -35.136 183 HZ PHE 22 HZ PHE 22 4.158 -8.887 -34.131 184 H CYS 23 HN CYS 23 -0.269 -9.692 -31.465 185 HA CYS 23 HA CYS 23 1.830 -9.052 -29.575 186 HB2 CYS 23 2HB CYS 23 -0.568 -10.220 -28.696 187 HB3 CYS 23 3HB CYS 23 0.579 -11.542 -28.792 188 HA PRO 24 HA PRO 24 3.671 -11.818 -32.427 189 HB2 PRO 24 2HB PRO 24 6.189 -11.881 -31.368 190 HB3 PRO 24 3HB PRO 24 5.633 -10.613 -32.443 191 HG2 PRO 24 2HG PRO 24 6.039 -10.515 -29.517 192 HG3 PRO 24 3HG PRO 24 5.902 -9.187 -30.651 193 HD2 PRO 24 2HD PRO 24 3.879 -10.113 -28.841 194 HD3 PRO 24 3HD PRO 24 3.705 -8.862 -30.055 195 H ARG 25 HN ARG 25 5.864 -13.555 -31.658 196 HA ARG 25 HA ARG 25 4.390 -15.303 -29.871 197 HB2 ARG 25 2HB ARG 25 5.161 -15.794 -32.699 198 HB3 ARG 25 3HB ARG 25 5.667 -17.075 -31.616 199 HG2 ARG 25 2HG ARG 25 3.420 -17.497 -30.878 200 HG3 ARG 25 3HG ARG 25 2.832 -15.977 -31.521 201 HD2 ARG 25 2HD ARG 25 2.154 -17.255 -33.303 202 HD3 ARG 25 3HD ARG 25 3.823 -17.114 -33.819 203 HE ARG 25 HE ARG 25 4.131 -19.379 -33.333 204 HH11 ARG 25 2HH2 ARG 25 1.278 -18.227 -31.626 205 HH12 ARG 25 1HH2 ARG 25 0.826 -19.799 -31.057 206 HH21 ARG 25 2HH1 ARG 25 3.536 -21.454 -32.583 207 HH22 ARG 25 1HH1 ARG 25 2.119 -21.647 -31.605 208 H ARG 26 HN ARG 26 5.866 -17.091 -28.956 209 HA ARG 26 HA ARG 26 7.717 -17.815 -28.086 210 HB2 ARG 26 2HB ARG 26 8.670 -16.729 -30.503 211 HB3 ARG 26 3HB ARG 26 9.703 -15.989 -29.297 212 HG2 ARG 26 2HG ARG 26 10.572 -18.054 -28.564 213 HG3 ARG 26 3HG ARG 26 9.173 -18.958 -29.106 214 HD2 ARG 26 2HD ARG 26 10.674 -17.558 -31.277 215 HD3 ARG 26 3HD ARG 26 11.564 -18.837 -30.475 216 HE ARG 26 HE ARG 26 8.964 -19.846 -31.024 217 HH11 ARG 26 2HH2 ARG 26 11.807 -18.769 -32.796 218 HH12 ARG 26 1HH2 ARG 26 11.500 -19.789 -34.161 219 HH21 ARG 26 2HH1 ARG 26 8.559 -21.193 -32.825 220 HH22 ARG 26 1HH1 ARG 26 9.640 -21.177 -34.178 221 H TYR 27 HN TYR 27 6.688 -14.557 -28.074 222 HA TYR 27 HA TYR 27 8.536 -13.189 -26.594 223 HB2 TYR 27 2HB TYR 27 6.236 -12.187 -25.643 224 HB3 TYR 27 3HB TYR 27 6.587 -12.022 -27.352 225 HD1 TYR 27 HD2 TYR 27 5.721 -15.338 -26.072 226 HD2 TYR 27 HD1 TYR 27 4.170 -11.746 -27.801 227 HE1 TYR 27 HE2 TYR 27 3.551 -16.538 -26.635 228 HE2 TYR 27 HE1 TYR 27 2.005 -12.957 -28.359 229 HH TYR 27 HH TYR 27 1.588 -16.385 -27.507 230 H LYS 28 HN LYS 28 5.624 -13.680 -24.709 231 HA LYS 28 HA LYS 28 6.231 -15.715 -23.041 232 HB2 LYS 28 2HB LYS 28 8.062 -13.455 -22.600 233 HB3 LYS 28 3HB LYS 28 7.228 -13.974 -21.149 234 HG2 LYS 28 2HG LYS 28 8.268 -16.036 -21.113 235 HG3 LYS 28 3HG LYS 28 8.265 -16.191 -22.859 236 HD2 LYS 28 2HD LYS 28 10.056 -14.263 -22.813 237 HD3 LYS 28 3HD LYS 28 10.222 -14.657 -21.113 238 HE2 LYS 28 2HE LYS 28 10.347 -17.178 -22.203 239 HE3 LYS 28 3HE LYS 28 11.031 -16.242 -23.517 240 HZ1 LYS 28 3HZ LYS 28 12.881 -16.347 -22.333 241 HZ2 LYS 28 1HZ LYS 28 12.233 -15.218 -21.345 242 HZ3 LYS 28 2HZ LYS 28 12.127 -16.801 -20.957 243 H GLN 29 HN GLN 29 3.996 -15.827 -22.909 244 HA GLN 29 HA GLN 29 2.400 -13.611 -22.437 245 HB2 GLN 29 2HB GLN 29 1.590 -15.754 -23.402 246 HB3 GLN 29 3HB GLN 29 1.850 -16.558 -21.867 247 HG2 GLN 29 2HG GLN 29 0.229 -14.115 -21.562 248 HG3 GLN 29 3HG GLN 29 -0.502 -15.246 -22.684 249 HE21 GLN 29 1HE2 GLN 29 -1.676 -14.610 -20.290 250 HE22 GLN 29 2HE2 GLN 29 -1.679 -15.976 -19.225 251 H ILE 30 HN ILE 30 2.003 -12.442 -20.604 252 HA ILE 30 HA ILE 30 2.675 -13.740 -18.055 253 HB ILE 30 HB ILE 30 2.936 -10.794 -18.611 254 HG12 ILE 30 2HG1 ILE 30 4.431 -11.760 -20.181 255 HG13 ILE 30 3HG1 ILE 30 5.399 -11.234 -18.818 256 HG21 ILE 30 1HG2 ILE 30 2.928 -12.230 -16.252 257 HG22 ILE 30 2HG2 ILE 30 4.662 -12.041 -16.607 258 HG23 ILE 30 3HG2 ILE 30 3.615 -10.606 -16.494 259 HD11 ILE 30 3HD1 ILE 30 6.247 -13.337 -18.750 260 HD12 ILE 30 1HD1 ILE 30 4.662 -13.864 -18.136 261 HD13 ILE 30 2HD1 ILE 30 5.010 -13.937 -19.880 262 H GLY 31 HN GLY 31 0.224 -12.645 -20.062 263 HA2 GLY 31 1HA GLY 31 -1.902 -13.066 -18.543 264 HA3 GLY 31 2HA GLY 31 -1.423 -11.488 -17.951 265 H THR 32 HN THR 32 -3.610 -12.829 -19.923 266 HA THR 32 HA THR 32 -3.239 -11.241 -22.293 267 HB THR 32 HB THR 32 -5.685 -12.226 -22.605 268 HG1 THR 32 HG1 THR 32 -5.584 -12.671 -20.161 269 HG21 THR 32 3HG2 THR 32 -3.910 -13.318 -23.836 270 HG22 THR 32 1HG2 THR 32 -3.149 -13.911 -22.340 271 HG23 THR 32 2HG2 THR 32 -4.694 -14.605 -22.888 272 H CYS 33 HN CYS 33 -4.498 -9.480 -23.005 273 HA CYS 33 HA CYS 33 -6.473 -8.359 -21.329 274 HB2 CYS 33 2HB CYS 33 -5.028 -6.155 -21.113 275 HB3 CYS 33 3HB CYS 33 -5.044 -7.396 -19.875 276 H GLY 34 HN GLY 34 -7.616 -6.706 -22.507 277 HA2 GLY 34 1HA GLY 34 -7.832 -5.156 -24.242 278 HA3 GLY 34 2HA GLY 34 -6.476 -5.881 -25.082 279 H LEU 35 HN LEU 35 -7.350 -6.487 -27.049 280 HA LEU 35 HA LEU 35 -9.905 -7.876 -27.027 281 HB2 LEU 35 2HB LEU 35 -8.564 -7.491 -29.594 282 HB3 LEU 35 3HB LEU 35 -10.202 -7.114 -29.099 283 HG LEU 35 HG LEU 35 -8.893 -5.160 -27.773 284 HD11 LEU 35 1HD1 LEU 35 -7.316 -5.236 -30.327 285 HD12 LEU 35 2HD1 LEU 35 -6.996 -4.352 -28.816 286 HD13 LEU 35 3HD1 LEU 35 -6.738 -6.112 -28.889 287 HD21 LEU 35 3HD2 LEU 35 -9.618 -3.650 -29.500 288 HD22 LEU 35 1HD2 LEU 35 -9.667 -4.967 -30.696 289 HD23 LEU 35 2HD2 LEU 35 -10.816 -4.956 -29.336 290 HA PRO 36 HA PRO 36 -8.227 -11.754 -28.004 291 HB2 PRO 36 2HB PRO 36 -9.360 -12.631 -30.332 292 HB3 PRO 36 3HB PRO 36 -10.195 -12.654 -28.791 293 HG2 PRO 36 2HG PRO 36 -10.566 -10.812 -31.074 294 HG3 PRO 36 3HG PRO 36 -11.646 -11.126 -29.729 295 HD2 PRO 36 2HD PRO 36 -9.957 -8.833 -30.075 296 HD3 PRO 36 3HD PRO 36 -10.949 -9.204 -28.679 297 H GLY 37 HN GLY 37 -6.028 -11.292 -28.093 298 HA2 GLY 37 1HA GLY 37 -4.473 -12.274 -29.929 299 HA3 GLY 37 2HA GLY 37 -4.994 -10.849 -30.805 300 H THR 38 HN THR 38 -5.257 -9.626 -27.834 301 HA THR 38 HA THR 38 -2.455 -8.741 -27.796 302 HB THR 38 HB THR 38 -4.827 -7.401 -26.434 303 HG1 THR 38 HG1 THR 38 -5.356 -7.752 -28.692 304 HG21 THR 38 3HG2 THR 38 -2.974 -5.690 -27.874 305 HG22 THR 38 1HG2 THR 38 -3.320 -5.713 -26.128 306 HG23 THR 38 2HG2 THR 38 -2.048 -6.764 -26.798 307 H LYS 39 HN LYS 39 -1.216 -9.890 -26.445 308 HA LYS 39 HA LYS 39 -2.362 -10.411 -23.793 309 HB2 LYS 39 2HB LYS 39 -1.000 -12.513 -23.770 310 HB3 LYS 39 3HB LYS 39 -2.347 -12.522 -24.890 311 HG2 LYS 39 2HG LYS 39 -0.677 -13.327 -26.294 312 HG3 LYS 39 3HG LYS 39 -0.523 -11.612 -26.618 313 HD2 LYS 39 2HD LYS 39 1.709 -12.312 -26.201 314 HD3 LYS 39 3HD LYS 39 1.221 -11.558 -24.697 315 HE2 LYS 39 2HE LYS 39 2.395 -13.797 -24.418 316 HE3 LYS 39 3HE LYS 39 0.831 -13.697 -23.633 317 HZ1 LYS 39 3HZ LYS 39 1.536 -15.605 -25.341 318 HZ2 LYS 39 1HZ LYS 39 -0.012 -15.202 -25.014 319 HZ3 LYS 39 2HZ LYS 39 0.725 -14.603 -26.343 320 H CYS 40 HN CYS 40 -0.460 -10.884 -22.170 321 HA CYS 40 HA CYS 40 1.220 -8.581 -22.333 322 HB2 CYS 40 2HB CYS 40 0.643 -10.678 -20.282 323 HB3 CYS 40 3HB CYS 40 2.116 -9.741 -20.130 324 H CYS 41 HN CYS 41 2.798 -8.824 -23.947 325 HA CYS 41 HA CYS 41 4.585 -11.110 -23.562 326 HB2 CYS 41 2HB CYS 41 4.969 -10.798 -26.137 327 HB3 CYS 41 3HB CYS 41 3.680 -11.813 -25.519 328 H LYS 42 HN LYS 42 6.822 -10.576 -23.713 329 HA LYS 42 HA LYS 42 7.592 -8.062 -22.977 330 HB2 LYS 42 2HB LYS 42 9.876 -8.786 -23.660 331 HB3 LYS 42 3HB LYS 42 9.029 -9.947 -22.656 332 HG2 LYS 42 2HG LYS 42 8.889 -11.512 -24.340 333 HG3 LYS 42 3HG LYS 42 8.585 -10.310 -25.578 334 HD2 LYS 42 2HD LYS 42 10.735 -10.595 -26.251 335 HD3 LYS 42 3HD LYS 42 11.228 -9.770 -24.786 336 HE2 LYS 42 2HE LYS 42 11.043 -12.095 -23.618 337 HE3 LYS 42 3HE LYS 42 10.964 -12.770 -25.234 338 HZ1 LYS 42 3HZ LYS 42 13.218 -12.162 -23.916 339 HZ2 LYS 42 1HZ LYS 42 13.113 -12.401 -25.528 340 HZ3 LYS 42 2HZ LYS 42 13.069 -10.885 -24.922 341 H LYS 43 HN LYS 43 9.278 -6.695 -24.372 342 HA LYS 43 HA LYS 43 8.424 -6.500 -27.132 343 HB2 LYS 43 2HB LYS 43 6.756 -5.106 -26.216 344 HB3 LYS 43 3HB LYS 43 7.856 -4.384 -25.058 345 HG2 LYS 43 2HG LYS 43 8.617 -2.843 -26.563 346 HG3 LYS 43 3HG LYS 43 8.791 -4.037 -27.834 347 HD2 LYS 43 2HD LYS 43 5.960 -3.581 -27.266 348 HD3 LYS 43 3HD LYS 43 6.760 -2.058 -27.596 349 HE2 LYS 43 2HE LYS 43 7.848 -3.595 -29.590 350 HE3 LYS 43 3HE LYS 43 6.299 -4.395 -29.411 351 HZ1 LYS 43 3HZ LYS 43 6.667 -1.510 -29.840 352 HZ2 LYS 43 1HZ LYS 43 6.191 -2.585 -30.974 353 HZ3 LYS 43 2HZ LYS 43 5.228 -2.268 -29.694 354 HA PRO 44 HA PRO 44 12.811 -5.785 -26.493 355 HB2 PRO 44 2HB PRO 44 13.712 -7.485 -28.435 356 HB3 PRO 44 3HB PRO 44 13.523 -7.959 -26.758 357 HG2 PRO 44 2HG PRO 44 11.820 -8.634 -29.078 358 HG3 PRO 44 3HG PRO 44 11.904 -9.418 -27.513 359 HD2 PRO 44 2HD PRO 44 9.861 -7.624 -28.425 360 HD3 PRO 44 3HD PRO 44 10.008 -8.316 -26.822 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -2.665 1.723 -4.176 2 HA2 GLY 1 1HA GLY 1 -1.369 2.596 -6.549 3 HA3 GLY 1 2HA GLY 1 -0.674 2.450 -4.947 4 H ILE 2 HN ILE 2 -0.801 -0.206 -4.293 5 HA ILE 2 HA ILE 2 0.203 -1.711 -6.567 6 HB ILE 2 HB ILE 2 2.209 -0.718 -5.798 7 HG12 ILE 2 2HG1 ILE 2 3.455 -2.728 -4.911 8 HG13 ILE 2 3HG1 ILE 2 1.917 -3.561 -4.795 9 HG21 ILE 2 1HG2 ILE 2 1.567 0.124 -3.652 10 HG22 ILE 2 2HG2 ILE 2 1.343 -1.521 -3.011 11 HG23 ILE 2 3HG2 ILE 2 2.973 -0.944 -3.429 12 HD11 ILE 2 3HD1 ILE 2 1.925 -4.017 -7.013 13 HD12 ILE 2 1HD1 ILE 2 2.158 -2.298 -7.412 14 HD13 ILE 2 2HD1 ILE 2 3.568 -3.334 -7.087 15 H ILE 3 HN ILE 3 -1.129 -3.440 -6.577 16 HA ILE 3 HA ILE 3 -1.796 -4.589 -3.956 17 HB ILE 3 HB ILE 3 -3.387 -4.239 -6.470 18 HG12 ILE 3 2HG1 ILE 3 -3.422 -2.624 -4.487 19 HG13 ILE 3 3HG1 ILE 3 -4.962 -3.197 -5.095 20 HG21 ILE 3 1HG2 ILE 3 -3.371 -6.609 -4.765 21 HG22 ILE 3 2HG2 ILE 3 -4.968 -5.828 -4.851 22 HG23 ILE 3 3HG2 ILE 3 -4.143 -6.332 -6.345 23 HD11 ILE 3 3HD1 ILE 3 -5.465 -4.246 -3.140 24 HD12 ILE 3 1HD1 ILE 3 -3.852 -4.990 -3.036 25 HD13 ILE 3 2HD1 ILE 3 -4.107 -3.331 -2.442 26 H ASN 4 HN ASN 4 -1.930 -5.747 -7.390 27 HA ASN 4 HA ASN 4 -0.224 -7.938 -6.498 28 HB2 ASN 4 2HB ASN 4 -2.815 -8.266 -7.242 29 HB3 ASN 4 3HB ASN 4 -2.100 -8.281 -8.842 30 HD21 ASN 4 1HD2 ASN 4 -0.364 -9.779 -9.277 31 HD22 ASN 4 2HD2 ASN 4 -0.311 -11.315 -8.478 32 H THR 5 HN THR 5 1.127 -8.888 -8.340 33 HA THR 5 HA THR 5 1.571 -6.913 -10.481 34 HB THR 5 HB THR 5 4.044 -7.714 -10.189 35 HG1 THR 5 HG1 THR 5 3.335 -9.511 -8.763 36 HG21 THR 5 3HG2 THR 5 2.573 -6.100 -8.051 37 HG22 THR 5 1HG2 THR 5 4.339 -6.319 -8.029 38 HG23 THR 5 2HG2 THR 5 3.564 -5.476 -9.392 39 H LEU 6 HN LEU 6 1.403 -7.670 -12.497 40 HA LEU 6 HA LEU 6 1.184 -9.082 -14.178 41 HB2 LEU 6 2HB LEU 6 3.539 -9.656 -13.250 42 HB3 LEU 6 3HB LEU 6 2.791 -11.143 -12.702 43 HG LEU 6 HG LEU 6 2.884 -10.179 -15.574 44 HD11 LEU 6 1HD1 LEU 6 4.854 -11.497 -13.979 45 HD12 LEU 6 2HD1 LEU 6 4.259 -12.638 -15.209 46 HD13 LEU 6 3HD1 LEU 6 4.913 -11.057 -15.702 47 HD21 LEU 6 3HD2 LEU 6 0.912 -11.461 -15.346 48 HD22 LEU 6 1HD2 LEU 6 2.131 -12.554 -16.044 49 HD23 LEU 6 2HD2 LEU 6 1.720 -12.668 -14.316 50 H GLN 7 HN GLN 7 -0.612 -10.178 -14.782 51 HA GLN 7 HA GLN 7 -1.532 -12.306 -13.089 52 HB2 GLN 7 2HB GLN 7 -3.195 -9.812 -13.626 53 HB3 GLN 7 3HB GLN 7 -3.898 -11.325 -13.090 54 HG2 GLN 7 2HG GLN 7 -1.656 -9.897 -11.587 55 HG3 GLN 7 3HG GLN 7 -3.355 -9.658 -11.231 56 HE21 GLN 7 1HE2 GLN 7 -4.591 -11.317 -10.362 57 HE22 GLN 7 2HE2 GLN 7 -3.899 -12.707 -9.594 58 H LYS 8 HN LYS 8 -3.113 -10.244 -15.627 59 HA LYS 8 HA LYS 8 -2.525 -11.736 -17.826 60 HB2 LYS 8 2HB LYS 8 -4.872 -12.989 -17.916 61 HB3 LYS 8 3HB LYS 8 -3.428 -13.744 -17.271 62 HG2 LYS 8 2HG LYS 8 -4.407 -13.956 -15.239 63 HG3 LYS 8 3HG LYS 8 -4.638 -12.221 -15.141 64 HD2 LYS 8 2HD LYS 8 -6.626 -13.002 -16.949 65 HD3 LYS 8 3HD LYS 8 -6.589 -14.341 -15.819 66 HE2 LYS 8 2HE LYS 8 -6.463 -11.693 -14.488 67 HE3 LYS 8 3HE LYS 8 -7.928 -11.924 -15.423 68 HZ1 LYS 8 3HZ LYS 8 -7.076 -14.116 -13.737 69 HZ2 LYS 8 1HZ LYS 8 -7.697 -12.802 -12.994 70 HZ3 LYS 8 2HZ LYS 8 -8.585 -13.611 -14.101 71 H TYR 9 HN TYR 9 -5.873 -11.024 -16.665 72 HA TYR 9 HA TYR 9 -6.758 -9.669 -18.801 73 HB2 TYR 9 2HB TYR 9 -8.358 -8.738 -17.194 74 HB3 TYR 9 3HB TYR 9 -7.854 -10.275 -16.519 75 HD1 TYR 9 HD1 TYR 9 -5.321 -9.763 -15.231 76 HD2 TYR 9 HD2 TYR 9 -8.762 -7.233 -15.476 77 HE1 TYR 9 HE1 TYR 9 -4.616 -8.586 -13.090 78 HE2 TYR 9 HE2 TYR 9 -8.046 -6.064 -13.335 79 HH TYR 9 HH TYR 9 -6.266 -5.715 -11.986 80 H TYR 10 HN TYR 10 -4.286 -8.584 -16.543 81 HA TYR 10 HA TYR 10 -3.976 -6.177 -18.142 82 HB2 TYR 10 2HB TYR 10 -4.357 -4.744 -16.287 83 HB3 TYR 10 3HB TYR 10 -5.471 -6.033 -15.877 84 HD1 TYR 10 HD1 TYR 10 -3.290 -8.077 -15.056 85 HD2 TYR 10 HD2 TYR 10 -3.947 -3.969 -14.057 86 HE1 TYR 10 HE1 TYR 10 -2.081 -8.414 -12.845 87 HE2 TYR 10 HE2 TYR 10 -2.736 -4.320 -11.850 88 HH TYR 10 HH TYR 10 -1.247 -7.445 -11.087 89 H CYS 11 HN CYS 11 -2.633 -8.916 -17.324 90 HA CYS 11 HA CYS 11 -0.462 -8.583 -15.778 91 HB2 CYS 11 2HB CYS 11 -0.771 -10.713 -16.612 92 HB3 CYS 11 3HB CYS 11 -0.949 -10.167 -18.268 93 H ARG 12 HN ARG 12 1.561 -7.550 -15.939 94 HA ARG 12 HA ARG 12 2.729 -6.743 -18.260 95 HB2 ARG 12 2HB ARG 12 0.542 -5.145 -17.982 96 HB3 ARG 12 3HB ARG 12 1.662 -4.225 -16.997 97 HG2 ARG 12 2HG ARG 12 3.241 -4.772 -19.195 98 HG3 ARG 12 3HG ARG 12 1.660 -4.679 -19.945 99 HD2 ARG 12 2HD ARG 12 1.296 -2.442 -18.819 100 HD3 ARG 12 3HD ARG 12 2.922 -2.532 -18.171 101 HE ARG 12 HE ARG 12 2.198 -1.809 -20.874 102 HH11 ARG 12 2HH2 ARG 12 4.684 -3.473 -19.021 103 HH12 ARG 12 1HH2 ARG 12 5.931 -3.176 -20.185 104 HH21 ARG 12 2HH1 ARG 12 3.844 -1.417 -22.411 105 HH22 ARG 12 1HH1 ARG 12 5.450 -1.999 -22.127 106 H VAL 13 HN VAL 13 3.691 -4.074 -17.181 107 HA VAL 13 HA VAL 13 4.786 -4.783 -14.593 108 HB VAL 13 HB VAL 13 7.101 -4.228 -15.473 109 HG11 VAL 13 1HG1 VAL 13 6.408 -6.491 -14.791 110 HG12 VAL 13 2HG1 VAL 13 5.799 -6.799 -16.434 111 HG13 VAL 13 3HG1 VAL 13 7.539 -6.537 -16.165 112 HG21 VAL 13 3HG2 VAL 13 5.755 -4.834 -18.127 113 HG22 VAL 13 1HG2 VAL 13 6.484 -3.287 -17.632 114 HG23 VAL 13 2HG2 VAL 13 7.512 -4.721 -17.864 115 H ARG 14 HN ARG 14 4.715 -2.494 -17.395 116 HA ARG 14 HA ARG 14 3.891 -0.426 -15.692 117 HB2 ARG 14 2HB ARG 14 6.535 -0.666 -15.423 118 HB3 ARG 14 3HB ARG 14 6.581 0.152 -16.972 119 HG2 ARG 14 2HG ARG 14 6.054 2.160 -16.039 120 HG3 ARG 14 3HG ARG 14 4.703 1.481 -15.154 121 HD2 ARG 14 2HD ARG 14 6.505 0.479 -13.541 122 HD3 ARG 14 3HD ARG 14 7.625 1.587 -14.307 123 HE ARG 14 HE ARG 14 6.577 3.384 -13.219 124 HH11 ARG 14 2HH2 ARG 14 4.530 0.529 -13.009 125 HH12 ARG 14 1HH2 ARG 14 3.419 1.251 -11.893 126 HH21 ARG 14 2HH1 ARG 14 5.111 4.337 -11.747 127 HH22 ARG 14 1HH1 ARG 14 3.751 3.431 -11.171 128 H GLY 15 HN GLY 15 2.283 0.195 -17.135 129 HA2 GLY 15 1HA GLY 15 2.168 1.837 -19.029 130 HA3 GLY 15 2HA GLY 15 3.097 0.663 -19.940 131 H ALA 16 HN ALA 16 1.400 0.390 -21.508 132 HA ALA 16 HA ALA 16 -1.218 -0.347 -20.695 133 HB1 ALA 16 1HB ALA 16 -0.211 0.727 -22.925 134 HB2 ALA 16 2HB ALA 16 -0.135 -0.981 -23.420 135 HB3 ALA 16 3HB ALA 16 -1.693 -0.259 -22.952 136 H ILE 17 HN ILE 17 -1.988 -2.320 -20.108 137 HA ILE 17 HA ILE 17 -0.297 -4.450 -19.642 138 HB ILE 17 HB ILE 17 -2.187 -5.627 -18.997 139 HG12 ILE 17 2HG1 ILE 17 -3.386 -5.675 -21.100 140 HG13 ILE 17 3HG1 ILE 17 -4.467 -5.195 -19.807 141 HG21 ILE 17 1HG2 ILE 17 -3.653 -3.168 -18.553 142 HG22 ILE 17 2HG2 ILE 17 -2.795 -4.213 -17.396 143 HG23 ILE 17 3HG2 ILE 17 -1.910 -2.942 -18.273 144 HD11 ILE 17 3HD1 ILE 17 -3.072 -3.268 -21.722 145 HD12 ILE 17 1HD1 ILE 17 -4.774 -3.777 -21.828 146 HD13 ILE 17 2HD1 ILE 17 -4.218 -2.812 -20.440 147 H CYS 18 HN CYS 18 -0.052 -6.528 -20.688 148 HA CYS 18 HA CYS 18 0.554 -7.682 -22.469 149 HB2 CYS 18 2HB CYS 18 -1.239 -8.207 -24.077 150 HB3 CYS 18 3HB CYS 18 -1.730 -8.361 -22.402 151 H HIS 19 HN HIS 19 0.344 -7.539 -25.192 152 HA HIS 19 HA HIS 19 1.874 -5.213 -25.764 153 HB2 HIS 19 2HB HIS 19 2.379 -7.396 -26.751 154 HB3 HIS 19 3HB HIS 19 0.821 -7.423 -27.552 155 HD1 HIS 19 HD1 HIS 19 0.648 -4.688 -28.857 156 HD2 HIS 19 HD2 HIS 19 4.188 -6.934 -28.739 157 HE1 HIS 19 HE1 HIS 19 2.099 -3.836 -30.775 158 HE2 HIS 19 HE2 HIS 19 4.283 -5.216 -30.618 159 HA PRO 20 HA PRO 20 -1.438 -2.711 -27.020 160 HB2 PRO 20 2HB PRO 20 -0.035 -0.676 -28.186 161 HB3 PRO 20 3HB PRO 20 -0.289 -0.797 -26.456 162 HG2 PRO 20 2HG PRO 20 2.161 -1.356 -28.012 163 HG3 PRO 20 3HG PRO 20 1.997 -1.059 -26.293 164 HD2 PRO 20 2HD PRO 20 2.400 -3.598 -27.565 165 HD3 PRO 20 3HD PRO 20 2.119 -3.313 -25.859 166 H VAL 21 HN VAL 21 -2.883 -2.460 -28.669 167 HA VAL 21 HA VAL 21 -3.593 -2.485 -30.783 168 HB VAL 21 HB VAL 21 -0.836 -3.129 -31.794 169 HG11 VAL 21 1HG1 VAL 21 -3.385 -2.091 -32.904 170 HG12 VAL 21 2HG1 VAL 21 -1.900 -1.315 -33.504 171 HG13 VAL 21 3HG1 VAL 21 -2.113 -3.074 -33.667 172 HG21 VAL 21 3HG2 VAL 21 -1.660 -0.735 -30.320 173 HG22 VAL 21 1HG2 VAL 21 -0.036 -1.288 -30.795 174 HG23 VAL 21 2HG2 VAL 21 -1.036 -0.370 -31.946 175 H PHE 22 HN PHE 22 -0.904 -4.913 -30.432 176 HA PHE 22 HA PHE 22 -2.812 -7.037 -30.381 177 HB2 PHE 22 2HB PHE 22 -2.322 -7.940 -32.540 178 HB3 PHE 22 3HB PHE 22 -2.346 -6.220 -32.876 179 HD1 PHE 22 HD1 PHE 22 0.416 -5.796 -31.399 180 HD2 PHE 22 HD2 PHE 22 -0.928 -8.394 -34.473 181 HE1 PHE 22 HE1 PHE 22 2.754 -5.938 -32.301 182 HE2 PHE 22 HE2 PHE 22 1.410 -8.537 -35.375 183 HZ PHE 22 HZ PHE 22 3.223 -7.307 -34.278 184 H CYS 23 HN CYS 23 -1.052 -9.142 -31.173 185 HA CYS 23 HA CYS 23 1.245 -8.722 -29.416 186 HB2 CYS 23 2HB CYS 23 -0.734 -9.930 -28.303 187 HB3 CYS 23 3HB CYS 23 -0.353 -11.276 -29.359 188 HA PRO 24 HA PRO 24 3.113 -10.565 -32.917 189 HB2 PRO 24 2HB PRO 24 5.670 -10.769 -31.974 190 HB3 PRO 24 3HB PRO 24 5.016 -9.295 -32.660 191 HG2 PRO 24 2HG PRO 24 5.527 -9.951 -29.823 192 HG3 PRO 24 3HG PRO 24 5.287 -8.380 -30.560 193 HD2 PRO 24 2HD PRO 24 3.378 -9.860 -29.012 194 HD3 PRO 24 3HD PRO 24 3.102 -8.343 -29.846 195 H ARG 25 HN ARG 25 5.420 -12.319 -32.671 196 HA ARG 25 HA ARG 25 4.072 -14.559 -31.409 197 HB2 ARG 25 2HB ARG 25 4.840 -14.231 -34.260 198 HB3 ARG 25 3HB ARG 25 5.438 -15.721 -33.557 199 HG2 ARG 25 2HG ARG 25 3.056 -16.133 -32.676 200 HG3 ARG 25 3HG ARG 25 2.540 -14.771 -33.651 201 HD2 ARG 25 2HD ARG 25 4.023 -17.186 -34.795 202 HD3 ARG 25 3HD ARG 25 2.276 -17.052 -34.769 203 HE ARG 25 HE ARG 25 3.205 -14.666 -35.949 204 HH11 ARG 25 2HH2 ARG 25 3.354 -18.112 -36.647 205 HH12 ARG 25 1HH2 ARG 25 3.443 -17.890 -38.363 206 HH21 ARG 25 2HH1 ARG 25 3.323 -14.373 -38.212 207 HH22 ARG 25 1HH1 ARG 25 3.425 -15.750 -39.259 208 H ARG 26 HN ARG 26 5.659 -16.444 -31.006 209 HA ARG 26 HA ARG 26 7.541 -17.258 -30.308 210 HB2 ARG 26 2HB ARG 26 8.431 -15.413 -32.332 211 HB3 ARG 26 3HB ARG 26 9.534 -15.255 -30.980 212 HG2 ARG 26 2HG ARG 26 10.447 -17.320 -31.331 213 HG3 ARG 26 3HG ARG 26 8.881 -18.075 -31.547 214 HD2 ARG 26 2HD ARG 26 9.960 -16.280 -33.737 215 HD3 ARG 26 3HD ARG 26 10.583 -17.911 -33.588 216 HE ARG 26 HE ARG 26 7.999 -17.173 -34.623 217 HH11 ARG 26 2HH2 ARG 26 9.572 -19.648 -32.679 218 HH12 ARG 26 1HH2 ARG 26 8.421 -20.878 -33.083 219 HH21 ARG 26 2HH1 ARG 26 6.480 -18.795 -35.156 220 HH22 ARG 26 1HH1 ARG 26 6.651 -20.389 -34.502 221 H TYR 27 HN TYR 27 6.314 -14.212 -29.466 222 HA TYR 27 HA TYR 27 8.139 -13.113 -27.736 223 HB2 TYR 27 2HB TYR 27 5.813 -12.519 -26.538 224 HB3 TYR 27 3HB TYR 27 6.105 -11.921 -28.159 225 HD1 TYR 27 HD2 TYR 27 5.461 -15.496 -27.702 226 HD2 TYR 27 HD1 TYR 27 3.672 -11.696 -28.513 227 HE1 TYR 27 HE2 TYR 27 3.349 -16.656 -28.514 228 HE2 TYR 27 HE1 TYR 27 1.566 -12.868 -29.322 229 HH TYR 27 HH TYR 27 1.006 -15.093 -30.290 230 H LYS 28 HN LYS 28 5.322 -14.208 -25.974 231 HA LYS 28 HA LYS 28 6.019 -16.549 -24.867 232 HB2 LYS 28 2HB LYS 28 7.968 -14.548 -24.092 233 HB3 LYS 28 3HB LYS 28 7.125 -15.158 -22.682 234 HG2 LYS 28 2HG LYS 28 7.547 -17.511 -24.022 235 HG3 LYS 28 3HG LYS 28 8.931 -16.597 -24.588 236 HD2 LYS 28 2HD LYS 28 9.745 -16.235 -22.345 237 HD3 LYS 28 3HD LYS 28 8.230 -16.747 -21.629 238 HE2 LYS 28 2HE LYS 28 9.480 -18.794 -23.390 239 HE3 LYS 28 3HE LYS 28 10.446 -18.377 -21.988 240 HZ1 LYS 28 3HZ LYS 28 8.775 -20.163 -21.661 241 HZ2 LYS 28 1HZ LYS 28 8.684 -18.947 -20.575 242 HZ3 LYS 28 2HZ LYS 28 7.596 -19.040 -21.789 243 H GLN 29 HN GLN 29 3.997 -16.994 -24.184 244 HA GLN 29 HA GLN 29 2.216 -14.997 -23.454 245 HB2 GLN 29 2HB GLN 29 1.740 -17.376 -24.330 246 HB3 GLN 29 3HB GLN 29 1.987 -17.933 -22.687 247 HG2 GLN 29 2HG GLN 29 0.190 -15.613 -22.748 248 HG3 GLN 29 3HG GLN 29 -0.406 -16.893 -23.786 249 HE21 GLN 29 1HE2 GLN 29 -1.733 -16.089 -21.513 250 HE22 GLN 29 2HE2 GLN 29 -1.720 -17.347 -20.323 251 H ILE 30 HN ILE 30 1.865 -13.938 -21.540 252 HA ILE 30 HA ILE 30 2.753 -15.241 -19.088 253 HB ILE 30 HB ILE 30 3.553 -12.437 -19.875 254 HG12 ILE 30 2HG1 ILE 30 4.763 -14.310 -21.068 255 HG13 ILE 30 3HG1 ILE 30 5.767 -13.203 -20.153 256 HG21 ILE 30 1HG2 ILE 30 3.551 -13.925 -17.316 257 HG22 ILE 30 2HG2 ILE 30 5.047 -13.042 -17.704 258 HG23 ILE 30 3HG2 ILE 30 3.494 -12.175 -17.637 259 HD11 ILE 30 3HD1 ILE 30 6.402 -15.594 -19.781 260 HD12 ILE 30 1HD1 ILE 30 5.895 -14.794 -18.275 261 HD13 ILE 30 2HD1 ILE 30 4.780 -15.900 -19.114 262 H GLY 31 HN GLY 31 0.222 -14.312 -20.752 263 HA2 GLY 31 1HA GLY 31 -1.640 -14.120 -18.881 264 HA3 GLY 31 2HA GLY 31 -1.000 -12.490 -18.829 265 H THR 32 HN THR 32 -3.506 -12.362 -19.506 266 HA THR 32 HA THR 32 -3.457 -11.700 -22.319 267 HB THR 32 HB THR 32 -5.738 -13.093 -22.451 268 HG1 THR 32 HG1 THR 32 -4.032 -14.404 -20.451 269 HG21 THR 32 3HG2 THR 32 -4.546 -14.560 -23.748 270 HG22 THR 32 1HG2 THR 32 -3.098 -13.637 -23.280 271 HG23 THR 32 2HG2 THR 32 -3.566 -15.087 -22.359 272 H CYS 33 HN CYS 33 -4.658 -9.923 -22.758 273 HA CYS 33 HA CYS 33 -6.098 -8.841 -20.472 274 HB2 CYS 33 2HB CYS 33 -6.081 -6.733 -21.892 275 HB3 CYS 33 3HB CYS 33 -4.557 -7.276 -21.220 276 H GLY 34 HN GLY 34 -7.033 -11.092 -22.305 277 HA2 GLY 34 1HA GLY 34 -9.073 -11.725 -23.055 278 HA3 GLY 34 2HA GLY 34 -9.696 -10.122 -22.717 279 H LEU 35 HN LEU 35 -8.280 -8.381 -24.264 280 HA LEU 35 HA LEU 35 -9.392 -8.321 -26.645 281 HB2 LEU 35 2HB LEU 35 -6.937 -7.284 -25.495 282 HB3 LEU 35 3HB LEU 35 -6.785 -7.517 -27.225 283 HG LEU 35 HG LEU 35 -9.301 -6.211 -26.518 284 HD11 LEU 35 1HD1 LEU 35 -7.470 -5.477 -24.730 285 HD12 LEU 35 2HD1 LEU 35 -6.976 -4.402 -26.060 286 HD13 LEU 35 3HD1 LEU 35 -8.638 -4.328 -25.426 287 HD21 LEU 35 3HD2 LEU 35 -7.976 -6.433 -28.766 288 HD22 LEU 35 1HD2 LEU 35 -8.887 -4.948 -28.398 289 HD23 LEU 35 2HD2 LEU 35 -7.121 -4.987 -28.175 290 HA PRO 36 HA PRO 36 -8.084 -11.790 -28.878 291 HB2 PRO 36 2HB PRO 36 -9.066 -11.126 -31.341 292 HB3 PRO 36 3HB PRO 36 -10.050 -11.836 -30.077 293 HG2 PRO 36 2HG PRO 36 -9.982 -9.035 -31.020 294 HG3 PRO 36 3HG PRO 36 -11.220 -9.848 -30.084 295 HD2 PRO 36 2HD PRO 36 -9.262 -7.998 -29.100 296 HD3 PRO 36 3HD PRO 36 -10.425 -8.899 -28.147 297 H GLY 37 HN GLY 37 -5.870 -11.814 -28.741 298 HA2 GLY 37 1HA GLY 37 -4.027 -11.973 -30.247 299 HA3 GLY 37 2HA GLY 37 -4.601 -10.545 -31.085 300 H THR 38 HN THR 38 -5.129 -10.100 -27.754 301 HA THR 38 HA THR 38 -2.540 -8.717 -27.483 302 HB THR 38 HB THR 38 -5.129 -7.860 -26.135 303 HG1 THR 38 HG1 THR 38 -4.046 -7.399 -28.821 304 HG21 THR 38 3HG2 THR 38 -3.998 -5.891 -25.740 305 HG22 THR 38 1HG2 THR 38 -2.533 -6.859 -26.032 306 HG23 THR 38 2HG2 THR 38 -3.246 -5.904 -27.354 307 H LYS 39 HN LYS 39 -1.359 -10.238 -26.386 308 HA LYS 39 HA LYS 39 -2.474 -10.942 -23.763 309 HB2 LYS 39 2HB LYS 39 -1.310 -13.129 -23.964 310 HB3 LYS 39 3HB LYS 39 -2.630 -12.926 -25.097 311 HG2 LYS 39 2HG LYS 39 -1.051 -13.661 -26.607 312 HG3 LYS 39 3HG LYS 39 -0.634 -11.960 -26.653 313 HD2 LYS 39 2HD LYS 39 1.337 -12.261 -25.481 314 HD3 LYS 39 3HD LYS 39 0.671 -13.525 -24.466 315 HE2 LYS 39 2HE LYS 39 0.810 -14.375 -27.280 316 HE3 LYS 39 3HE LYS 39 2.382 -13.876 -26.686 317 HZ1 LYS 39 3HZ LYS 39 2.476 -15.627 -25.352 318 HZ2 LYS 39 1HZ LYS 39 0.934 -15.485 -24.834 319 HZ3 LYS 39 2HZ LYS 39 1.256 -16.257 -26.236 320 H CYS 40 HN CYS 40 -0.557 -11.708 -22.264 321 HA CYS 40 HA CYS 40 1.246 -9.506 -22.223 322 HB2 CYS 40 2HB CYS 40 0.131 -11.111 -20.314 323 HB3 CYS 40 3HB CYS 40 1.753 -11.769 -20.404 324 H CYS 41 HN CYS 41 2.551 -9.720 -24.132 325 HA CYS 41 HA CYS 41 4.148 -12.168 -24.242 326 HB2 CYS 41 2HB CYS 41 4.680 -10.911 -26.586 327 HB3 CYS 41 3HB CYS 41 3.462 -12.150 -26.358 328 H LYS 42 HN LYS 42 6.415 -12.001 -24.074 329 HA LYS 42 HA LYS 42 7.533 -10.002 -22.634 330 HB2 LYS 42 2HB LYS 42 8.654 -12.009 -24.570 331 HB3 LYS 42 3HB LYS 42 9.715 -10.812 -23.854 332 HG2 LYS 42 2HG LYS 42 7.832 -12.432 -22.105 333 HG3 LYS 42 3HG LYS 42 9.362 -13.112 -22.621 334 HD2 LYS 42 2HD LYS 42 9.313 -10.345 -21.387 335 HD3 LYS 42 3HD LYS 42 9.203 -11.750 -20.344 336 HE2 LYS 42 2HE LYS 42 11.303 -12.420 -22.081 337 HE3 LYS 42 3HE LYS 42 11.530 -10.699 -21.835 338 HZ1 LYS 42 3HZ LYS 42 12.444 -11.275 -19.928 339 HZ2 LYS 42 1HZ LYS 42 10.959 -11.663 -19.370 340 HZ3 LYS 42 2HZ LYS 42 11.919 -12.819 -20.010 341 H LYS 43 HN LYS 43 8.238 -7.937 -22.950 342 HA LYS 43 HA LYS 43 8.914 -7.025 -25.574 343 HB2 LYS 43 2HB LYS 43 6.387 -6.970 -25.557 344 HB3 LYS 43 3HB LYS 43 6.478 -5.776 -24.277 345 HG2 LYS 43 2HG LYS 43 8.247 -4.699 -26.097 346 HG3 LYS 43 3HG LYS 43 7.125 -5.500 -27.178 347 HD2 LYS 43 2HD LYS 43 5.716 -3.742 -26.924 348 HD3 LYS 43 3HD LYS 43 5.471 -4.236 -25.261 349 HE2 LYS 43 2HE LYS 43 6.434 -2.285 -24.615 350 HE3 LYS 43 3HE LYS 43 7.960 -2.904 -25.214 351 HZ1 LYS 43 3HZ LYS 43 6.970 -2.089 -27.461 352 HZ2 LYS 43 1HZ LYS 43 6.100 -1.095 -26.501 353 HZ3 LYS 43 2HZ LYS 43 7.732 -1.050 -26.458 354 HA PRO 44 HA PRO 44 10.884 -5.046 -21.986 355 HB2 PRO 44 2HB PRO 44 13.445 -5.898 -22.415 356 HB3 PRO 44 3HB PRO 44 12.336 -6.705 -21.323 357 HG2 PRO 44 2HG PRO 44 13.215 -7.536 -24.020 358 HG3 PRO 44 3HG PRO 44 12.468 -8.502 -22.763 359 HD2 PRO 44 2HD PRO 44 11.198 -7.473 -25.120 360 HD3 PRO 44 3HD PRO 44 10.426 -8.339 -23.806 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 7.209 -4.581 -3.269 2 HA2 GLY 1 1HA GLY 1 7.688 -7.411 -3.982 3 HA3 GLY 1 2HA GLY 1 6.558 -6.850 -2.765 4 H ILE 2 HN ILE 2 6.861 -7.898 -5.969 5 HA ILE 2 HA ILE 2 4.870 -6.259 -7.166 6 HB ILE 2 HB ILE 2 6.773 -7.556 -8.267 7 HG12 ILE 2 2HG1 ILE 2 4.259 -8.140 -9.748 8 HG13 ILE 2 3HG1 ILE 2 4.497 -6.479 -9.241 9 HG21 ILE 2 1HG2 ILE 2 5.928 -9.730 -7.077 10 HG22 ILE 2 2HG2 ILE 2 4.834 -9.834 -8.477 11 HG23 ILE 2 3HG2 ILE 2 6.596 -9.805 -8.725 12 HD11 ILE 2 3HD1 ILE 2 7.017 -7.377 -10.254 13 HD12 ILE 2 1HD1 ILE 2 5.771 -7.898 -11.414 14 HD13 ILE 2 2HD1 ILE 2 5.916 -6.179 -10.975 15 H ILE 3 HN ILE 3 2.777 -6.251 -6.557 16 HA ILE 3 HA ILE 3 1.396 -8.762 -6.387 17 HB ILE 3 HB ILE 3 2.293 -8.633 -4.147 18 HG12 ILE 3 2HG1 ILE 3 0.094 -8.580 -2.883 19 HG13 ILE 3 3HG1 ILE 3 -0.676 -8.090 -4.379 20 HG21 ILE 3 1HG2 ILE 3 2.529 -6.758 -2.977 21 HG22 ILE 3 2HG2 ILE 3 1.992 -5.872 -4.425 22 HG23 ILE 3 3HG2 ILE 3 0.811 -6.335 -3.176 23 HD11 ILE 3 3HD1 ILE 3 0.999 -10.621 -4.041 24 HD12 ILE 3 1HD1 ILE 3 -0.780 -10.561 -4.033 25 HD13 ILE 3 2HD1 ILE 3 0.119 -10.136 -5.510 26 H ASN 4 HN ASN 4 -0.707 -8.528 -7.070 27 HA ASN 4 HA ASN 4 -2.476 -7.586 -7.894 28 HB2 ASN 4 2HB ASN 4 -2.396 -6.457 -5.499 29 HB3 ASN 4 3HB ASN 4 -1.928 -5.008 -6.367 30 HD21 ASN 4 1HD2 ASN 4 -4.447 -7.190 -5.556 31 HD22 ASN 4 2HD2 ASN 4 -5.767 -6.393 -6.344 32 H THR 5 HN THR 5 0.017 -7.299 -9.329 33 HA THR 5 HA THR 5 -0.632 -4.994 -10.957 34 HB THR 5 HB THR 5 2.081 -5.326 -9.568 35 HG1 THR 5 HG1 THR 5 1.154 -3.818 -8.225 36 HG21 THR 5 3HG2 THR 5 1.533 -4.104 -12.051 37 HG22 THR 5 1HG2 THR 5 1.437 -2.765 -10.882 38 HG23 THR 5 2HG2 THR 5 2.921 -3.742 -10.996 39 H LEU 6 HN LEU 6 -1.022 -7.756 -11.405 40 HA LEU 6 HA LEU 6 -0.148 -8.103 -13.901 41 HB2 LEU 6 2HB LEU 6 2.088 -8.111 -13.707 42 HB3 LEU 6 3HB LEU 6 2.064 -8.583 -12.020 43 HG LEU 6 HG LEU 6 1.742 -10.908 -12.601 44 HD11 LEU 6 1HD1 LEU 6 0.701 -11.507 -14.463 45 HD12 LEU 6 2HD1 LEU 6 0.785 -9.840 -15.081 46 HD13 LEU 6 3HD1 LEU 6 2.114 -10.978 -15.408 47 HD21 LEU 6 3HD2 LEU 6 4.032 -10.107 -12.527 48 HD22 LEU 6 1HD2 LEU 6 3.855 -11.355 -13.783 49 HD23 LEU 6 2HD2 LEU 6 3.950 -9.638 -14.242 50 H GLN 7 HN GLN 7 -1.528 -9.636 -14.607 51 HA GLN 7 HA GLN 7 -1.766 -12.055 -13.101 52 HB2 GLN 7 2HB GLN 7 -3.576 -10.033 -12.491 53 HB3 GLN 7 3HB GLN 7 -4.452 -10.958 -13.694 54 HG2 GLN 7 2HG GLN 7 -5.027 -12.300 -11.931 55 HG3 GLN 7 3HG GLN 7 -3.437 -13.001 -12.161 56 HE21 GLN 7 1HE2 GLN 7 -5.421 -10.873 -10.269 57 HE22 GLN 7 2HE2 GLN 7 -4.352 -10.648 -8.925 58 H LYS 8 HN LYS 8 -3.683 -10.202 -15.586 59 HA LYS 8 HA LYS 8 -2.729 -11.395 -17.822 60 HB2 LYS 8 2HB LYS 8 -4.579 -13.151 -18.221 61 HB3 LYS 8 3HB LYS 8 -3.195 -13.590 -17.240 62 HG2 LYS 8 2HG LYS 8 -4.999 -12.462 -15.389 63 HG3 LYS 8 3HG LYS 8 -6.029 -13.375 -16.474 64 HD2 LYS 8 2HD LYS 8 -5.260 -15.382 -15.702 65 HD3 LYS 8 3HD LYS 8 -3.587 -14.866 -15.764 66 HE2 LYS 8 2HE LYS 8 -3.553 -14.480 -13.526 67 HE3 LYS 8 3HE LYS 8 -4.949 -13.427 -13.633 68 HZ1 LYS 8 3HZ LYS 8 -6.118 -15.755 -13.905 69 HZ2 LYS 8 1HZ LYS 8 -4.837 -16.238 -13.015 70 HZ3 LYS 8 2HZ LYS 8 -5.841 -15.084 -12.442 71 H TYR 9 HN TYR 9 -6.190 -11.455 -16.766 72 HA TYR 9 HA TYR 9 -7.305 -10.224 -18.851 73 HB2 TYR 9 2HB TYR 9 -9.046 -9.607 -17.218 74 HB3 TYR 9 3HB TYR 9 -8.303 -11.078 -16.623 75 HD1 TYR 9 HD1 TYR 9 -5.963 -10.372 -15.201 76 HD2 TYR 9 HD2 TYR 9 -9.604 -8.148 -15.514 77 HE1 TYR 9 HE1 TYR 9 -5.454 -9.215 -12.995 78 HE2 TYR 9 HE2 TYR 9 -9.083 -6.999 -13.306 79 HH TYR 9 HH TYR 9 -7.465 -7.901 -11.146 80 H TYR 10 HN TYR 10 -5.195 -8.701 -16.442 81 HA TYR 10 HA TYR 10 -5.306 -6.255 -18.027 82 HB2 TYR 10 2HB TYR 10 -5.999 -4.979 -16.155 83 HB3 TYR 10 3HB TYR 10 -6.805 -6.484 -15.759 84 HD1 TYR 10 HD1 TYR 10 -4.272 -8.040 -14.949 85 HD2 TYR 10 HD2 TYR 10 -5.710 -4.139 -13.940 86 HE1 TYR 10 HE1 TYR 10 -3.005 -8.135 -12.746 87 HE2 TYR 10 HE2 TYR 10 -4.439 -4.247 -11.741 88 HH TYR 10 HH TYR 10 -3.640 -6.339 -10.226 89 H CYS 11 HN CYS 11 -3.477 -8.721 -17.158 90 HA CYS 11 HA CYS 11 -1.423 -8.004 -15.612 91 HB2 CYS 11 2HB CYS 11 -1.155 -10.099 -16.434 92 HB3 CYS 11 3HB CYS 11 -1.669 -9.666 -18.053 93 H ARG 12 HN ARG 12 0.317 -6.552 -15.687 94 HA ARG 12 HA ARG 12 1.745 -5.114 -16.528 95 HB2 ARG 12 2HB ARG 12 1.307 -6.301 -18.832 96 HB3 ARG 12 3HB ARG 12 0.253 -4.945 -19.178 97 HG2 ARG 12 2HG ARG 12 2.260 -4.135 -20.046 98 HG3 ARG 12 3HG ARG 12 2.343 -3.485 -18.421 99 HD2 ARG 12 2HD ARG 12 3.724 -5.442 -17.700 100 HD3 ARG 12 3HD ARG 12 3.628 -6.113 -19.316 101 HE ARG 12 HE ARG 12 5.382 -3.980 -18.449 102 HH11 ARG 12 2HH2 ARG 12 3.544 -5.119 -21.224 103 HH12 ARG 12 1HH2 ARG 12 4.572 -4.345 -22.384 104 HH21 ARG 12 2HH1 ARG 12 6.739 -2.959 -19.978 105 HH22 ARG 12 1HH1 ARG 12 6.402 -3.108 -21.670 106 H VAL 13 HN VAL 13 -0.045 -4.173 -14.846 107 HA VAL 13 HA VAL 13 -1.973 -2.400 -15.789 108 HB VAL 13 HB VAL 13 -0.434 -2.650 -13.211 109 HG11 VAL 13 1HG1 VAL 13 -2.133 -1.097 -12.222 110 HG12 VAL 13 2HG1 VAL 13 -1.004 -0.314 -13.354 111 HG13 VAL 13 3HG1 VAL 13 -2.662 -0.699 -13.875 112 HG21 VAL 13 3HG2 VAL 13 -1.879 -4.385 -13.084 113 HG22 VAL 13 1HG2 VAL 13 -3.053 -3.123 -12.639 114 HG23 VAL 13 2HG2 VAL 13 -2.968 -3.707 -14.318 115 H ARG 14 HN ARG 14 -1.962 -0.012 -15.730 116 HA ARG 14 HA ARG 14 -1.137 1.951 -16.135 117 HB2 ARG 14 2HB ARG 14 0.835 0.902 -14.480 118 HB3 ARG 14 3HB ARG 14 1.770 1.331 -15.898 119 HG2 ARG 14 2HG ARG 14 1.814 3.327 -14.645 120 HG3 ARG 14 3HG ARG 14 0.517 3.630 -15.783 121 HD2 ARG 14 2HD ARG 14 -0.456 2.262 -13.358 122 HD3 ARG 14 3HD ARG 14 0.337 3.777 -12.976 123 HE ARG 14 HE ARG 14 -1.421 4.172 -15.216 124 HH11 ARG 14 2HH2 ARG 14 -1.506 3.624 -11.741 125 HH12 ARG 14 1HH2 ARG 14 -3.024 4.429 -11.522 126 HH21 ARG 14 2HH1 ARG 14 -3.424 5.234 -14.928 127 HH22 ARG 14 1HH1 ARG 14 -4.123 5.351 -13.347 128 H GLY 15 HN GLY 15 0.134 3.173 -17.866 129 HA2 GLY 15 1HA GLY 15 0.693 3.398 -20.033 130 HA3 GLY 15 2HA GLY 15 1.763 2.037 -19.766 131 H ALA 16 HN ALA 16 1.475 0.942 -21.725 132 HA ALA 16 HA ALA 16 -1.284 0.212 -22.396 133 HB1 ALA 16 1HB ALA 16 -0.159 -0.421 -24.612 134 HB2 ALA 16 2HB ALA 16 -0.210 1.314 -24.217 135 HB3 ALA 16 3HB ALA 16 1.296 0.392 -23.986 136 H ILE 17 HN ILE 17 -1.884 -1.691 -21.478 137 HA ILE 17 HA ILE 17 0.045 -3.609 -20.674 138 HB ILE 17 HB ILE 17 -1.673 -4.659 -19.634 139 HG12 ILE 17 2HG1 ILE 17 -3.292 -3.981 -22.069 140 HG13 ILE 17 3HG1 ILE 17 -2.968 -5.543 -21.343 141 HG21 ILE 17 1HG2 ILE 17 -1.621 -2.077 -19.234 142 HG22 ILE 17 2HG2 ILE 17 -3.213 -2.114 -20.029 143 HG23 ILE 17 3HG2 ILE 17 -2.935 -3.064 -18.549 144 HD11 ILE 17 3HD1 ILE 17 -4.772 -3.361 -20.202 145 HD12 ILE 17 1HD1 ILE 17 -5.287 -4.923 -20.883 146 HD13 ILE 17 2HD1 ILE 17 -4.373 -4.876 -19.357 147 H CYS 18 HN CYS 18 0.467 -5.696 -21.541 148 HA CYS 18 HA CYS 18 0.849 -7.139 -23.147 149 HB2 CYS 18 2HB CYS 18 -1.748 -6.315 -24.446 150 HB3 CYS 18 3HB CYS 18 -0.913 -7.850 -24.584 151 H HIS 19 HN HIS 19 1.560 -7.308 -25.466 152 HA HIS 19 HA HIS 19 2.973 -5.175 -26.314 153 HB2 HIS 19 2HB HIS 19 3.253 -7.465 -27.130 154 HB3 HIS 19 3HB HIS 19 1.736 -7.367 -28.003 155 HD1 HIS 19 HD1 HIS 19 1.962 -4.707 -29.471 156 HD2 HIS 19 HD2 HIS 19 5.169 -7.381 -29.072 157 HE1 HIS 19 HE1 HIS 19 3.578 -4.174 -31.372 158 HE2 HIS 19 HE2 HIS 19 5.553 -5.812 -31.042 159 HA PRO 20 HA PRO 20 0.042 -2.397 -27.895 160 HB2 PRO 20 2HB PRO 20 1.725 -0.637 -29.135 161 HB3 PRO 20 3HB PRO 20 1.395 -0.597 -27.414 162 HG2 PRO 20 2HG PRO 20 3.814 -1.559 -28.817 163 HG3 PRO 20 3HG PRO 20 3.625 -1.116 -27.132 164 HD2 PRO 20 2HD PRO 20 3.760 -3.773 -28.204 165 HD3 PRO 20 3HD PRO 20 3.455 -3.331 -26.536 166 H VAL 21 HN VAL 21 -1.317 -2.147 -29.604 167 HA VAL 21 HA VAL 21 -1.940 -2.226 -31.749 168 HB VAL 21 HB VAL 21 0.737 -3.290 -32.599 169 HG11 VAL 21 1HG1 VAL 21 -1.195 -1.377 -33.951 170 HG12 VAL 21 2HG1 VAL 21 0.254 -2.126 -34.664 171 HG13 VAL 21 3HG1 VAL 21 -1.146 -3.134 -34.228 172 HG21 VAL 21 3HG2 VAL 21 1.756 -1.512 -31.689 173 HG22 VAL 21 1HG2 VAL 21 0.919 -0.542 -32.924 174 HG23 VAL 21 2HG2 VAL 21 0.210 -0.719 -31.301 175 H PHE 22 HN PHE 22 0.359 -4.927 -30.951 176 HA PHE 22 HA PHE 22 -1.780 -6.787 -30.867 177 HB2 PHE 22 2HB PHE 22 -1.352 -7.927 -32.927 178 HB3 PHE 22 3HB PHE 22 -1.163 -6.251 -33.402 179 HD1 PHE 22 HD1 PHE 22 1.598 -6.041 -31.871 180 HD2 PHE 22 HD2 PHE 22 0.017 -8.694 -34.780 181 HE1 PHE 22 HE1 PHE 22 3.921 -6.533 -32.684 182 HE2 PHE 22 HE2 PHE 22 2.340 -9.187 -35.593 183 HZ PHE 22 HZ PHE 22 4.264 -8.100 -34.535 184 H CYS 23 HN CYS 23 -0.503 -9.187 -31.164 185 HA CYS 23 HA CYS 23 1.856 -8.901 -29.449 186 HB2 CYS 23 2HB CYS 23 -0.307 -9.743 -28.345 187 HB3 CYS 23 3HB CYS 23 -0.069 -11.212 -29.271 188 HA PRO 24 HA PRO 24 3.587 -11.247 -32.716 189 HB2 PRO 24 2HB PRO 24 6.090 -11.609 -31.680 190 HB3 PRO 24 3HB PRO 24 5.606 -10.155 -32.530 191 HG2 PRO 24 2HG PRO 24 5.989 -10.564 -29.627 192 HG3 PRO 24 3HG PRO 24 5.928 -9.061 -30.525 193 HD2 PRO 24 2HD PRO 24 3.845 -10.173 -28.896 194 HD3 PRO 24 3HD PRO 24 3.744 -8.730 -29.886 195 H ARG 25 HN ARG 25 5.710 -13.183 -32.192 196 HA ARG 25 HA ARG 25 4.114 -15.133 -30.756 197 HB2 ARG 25 2HB ARG 25 4.937 -15.186 -33.609 198 HB3 ARG 25 3HB ARG 25 5.373 -16.647 -32.744 199 HG2 ARG 25 2HG ARG 25 2.839 -16.386 -31.818 200 HG3 ARG 25 3HG ARG 25 2.643 -15.527 -33.332 201 HD2 ARG 25 2HD ARG 25 2.796 -17.444 -34.579 202 HD3 ARG 25 3HD ARG 25 4.152 -18.052 -33.652 203 HE ARG 25 HE ARG 25 2.654 -19.343 -32.422 204 HH11 ARG 25 2HH2 ARG 25 0.910 -16.604 -33.779 205 HH12 ARG 25 1HH2 ARG 25 -0.631 -17.129 -33.188 206 HH21 ARG 25 2HH1 ARG 25 0.620 -20.036 -31.642 207 HH22 ARG 25 1HH1 ARG 25 -0.797 -19.095 -31.965 208 H ARG 26 HN ARG 26 5.444 -17.012 -29.954 209 HA ARG 26 HA ARG 26 7.254 -17.982 -29.221 210 HB2 ARG 26 2HB ARG 26 8.322 -16.657 -31.431 211 HB3 ARG 26 3HB ARG 26 9.311 -16.032 -30.126 212 HG2 ARG 26 2HG ARG 26 10.535 -17.942 -30.441 213 HG3 ARG 26 3HG ARG 26 9.289 -18.695 -29.465 214 HD2 ARG 26 2HD ARG 26 8.130 -18.739 -31.996 215 HD3 ARG 26 3HD ARG 26 9.825 -18.968 -32.375 216 HE ARG 26 HE ARG 26 9.244 -20.682 -30.194 217 HH11 ARG 26 2HH2 ARG 26 8.287 -20.311 -33.560 218 HH12 ARG 26 1HH2 ARG 26 7.951 -21.996 -33.783 219 HH21 ARG 26 2HH1 ARG 26 8.801 -22.905 -30.487 220 HH22 ARG 26 1HH1 ARG 26 8.245 -23.481 -32.023 221 H TYR 27 HN TYR 27 6.507 -14.622 -28.837 222 HA TYR 27 HA TYR 27 8.258 -13.541 -27.141 223 HB2 TYR 27 2HB TYR 27 5.919 -12.857 -25.929 224 HB3 TYR 27 3HB TYR 27 6.288 -12.279 -27.542 225 HD1 TYR 27 HD2 TYR 27 5.469 -15.822 -27.000 226 HD2 TYR 27 HD1 TYR 27 3.918 -11.982 -28.071 227 HE1 TYR 27 HE2 TYR 27 3.350 -16.916 -27.880 228 HE2 TYR 27 HE1 TYR 27 1.804 -13.089 -28.948 229 HH TYR 27 HH TYR 27 1.600 -16.454 -29.434 230 H LYS 28 HN LYS 28 5.393 -14.584 -25.343 231 HA LYS 28 HA LYS 28 6.053 -16.770 -24.024 232 HB2 LYS 28 2HB LYS 28 8.223 -16.291 -23.397 233 HB3 LYS 28 3HB LYS 28 7.906 -14.586 -23.149 234 HG2 LYS 28 2HG LYS 28 6.275 -16.244 -21.351 235 HG3 LYS 28 3HG LYS 28 7.982 -16.594 -21.163 236 HD2 LYS 28 2HD LYS 28 6.952 -13.730 -21.212 237 HD3 LYS 28 3HD LYS 28 6.972 -14.665 -19.730 238 HE2 LYS 28 2HE LYS 28 9.487 -14.488 -21.414 239 HE3 LYS 28 3HE LYS 28 9.055 -13.151 -20.366 240 HZ1 LYS 28 3HZ LYS 28 10.288 -14.475 -19.006 241 HZ2 LYS 28 1HZ LYS 28 8.790 -15.007 -18.632 242 HZ3 LYS 28 2HZ LYS 28 9.741 -15.880 -19.632 243 H GLN 29 HN GLN 29 3.722 -16.470 -24.103 244 HA GLN 29 HA GLN 29 2.224 -14.529 -23.196 245 HB2 GLN 29 2HB GLN 29 1.735 -17.103 -23.819 246 HB3 GLN 29 3HB GLN 29 1.536 -17.238 -22.083 247 HG2 GLN 29 2HG GLN 29 0.160 -14.850 -22.896 248 HG3 GLN 29 3HG GLN 29 -0.291 -16.108 -24.030 249 HE21 GLN 29 1HE2 GLN 29 -2.133 -16.972 -23.480 250 HE22 GLN 29 2HE2 GLN 29 -2.649 -17.434 -21.893 251 H ILE 30 HN ILE 30 2.118 -13.255 -21.400 252 HA ILE 30 HA ILE 30 3.084 -14.441 -18.891 253 HB ILE 30 HB ILE 30 3.217 -11.545 -19.733 254 HG12 ILE 30 2HG1 ILE 30 5.198 -13.791 -19.992 255 HG13 ILE 30 3HG1 ILE 30 4.748 -12.568 -21.163 256 HG21 ILE 30 1HG2 ILE 30 4.553 -12.943 -17.404 257 HG22 ILE 30 2HG2 ILE 30 4.551 -11.202 -17.775 258 HG23 ILE 30 3HG2 ILE 30 3.042 -12.009 -17.284 259 HD11 ILE 30 3HD1 ILE 30 5.749 -10.842 -19.490 260 HD12 ILE 30 1HD1 ILE 30 6.490 -12.252 -18.695 261 HD13 ILE 30 2HD1 ILE 30 6.886 -11.874 -20.389 262 H GLY 31 HN GLY 31 0.645 -12.433 -20.569 263 HA2 GLY 31 1HA GLY 31 -1.416 -13.200 -18.816 264 HA3 GLY 31 2HA GLY 31 -0.828 -11.622 -18.331 265 H THR 32 HN THR 32 -2.870 -13.346 -20.496 266 HA THR 32 HA THR 32 -2.873 -11.412 -22.610 267 HB THR 32 HB THR 32 -4.894 -12.833 -23.298 268 HG1 THR 32 HG1 THR 32 -5.593 -13.562 -21.244 269 HG21 THR 32 3HG2 THR 32 -3.316 -15.107 -22.887 270 HG22 THR 32 1HG2 THR 32 -3.190 -14.016 -24.288 271 HG23 THR 32 2HG2 THR 32 -2.118 -13.790 -22.885 272 H CYS 33 HN CYS 33 -4.245 -9.720 -23.011 273 HA CYS 33 HA CYS 33 -5.931 -9.011 -20.727 274 HB2 CYS 33 2HB CYS 33 -5.785 -6.681 -21.735 275 HB3 CYS 33 3HB CYS 33 -4.359 -7.319 -20.940 276 H GLY 34 HN GLY 34 -8.022 -7.872 -21.333 277 HA2 GLY 34 1HA GLY 34 -9.756 -9.264 -22.772 278 HA3 GLY 34 2HA GLY 34 -9.832 -7.515 -22.675 279 H LEU 35 HN LEU 35 -7.590 -6.709 -24.177 280 HA LEU 35 HA LEU 35 -8.490 -6.568 -26.694 281 HB2 LEU 35 2HB LEU 35 -5.783 -6.457 -25.466 282 HB3 LEU 35 3HB LEU 35 -5.874 -6.528 -27.214 283 HG LEU 35 HG LEU 35 -7.711 -4.557 -26.622 284 HD11 LEU 35 1HD1 LEU 35 -7.306 -4.220 -24.376 285 HD12 LEU 35 2HD1 LEU 35 -5.567 -4.569 -24.522 286 HD13 LEU 35 3HD1 LEU 35 -6.219 -3.027 -25.125 287 HD21 LEU 35 3HD2 LEU 35 -4.914 -4.658 -27.621 288 HD22 LEU 35 1HD2 LEU 35 -6.394 -4.037 -28.390 289 HD23 LEU 35 2HD2 LEU 35 -5.554 -3.062 -27.161 290 HA PRO 36 HA PRO 36 -8.262 -10.691 -28.096 291 HB2 PRO 36 2HB PRO 36 -9.497 -10.306 -30.504 292 HB3 PRO 36 3HB PRO 36 -10.372 -10.591 -29.012 293 HG2 PRO 36 2HG PRO 36 -10.017 -8.060 -30.499 294 HG3 PRO 36 3HG PRO 36 -11.207 -8.457 -29.275 295 HD2 PRO 36 2HD PRO 36 -8.858 -6.849 -28.927 296 HD3 PRO 36 3HD PRO 36 -9.985 -7.341 -27.679 297 H GLY 37 HN GLY 37 -6.051 -11.012 -28.191 298 HA2 GLY 37 1HA GLY 37 -4.547 -11.799 -29.911 299 HA3 GLY 37 2HA GLY 37 -4.973 -10.400 -30.877 300 H THR 38 HN THR 38 -4.855 -9.579 -27.541 301 HA THR 38 HA THR 38 -2.040 -8.752 -27.779 302 HB THR 38 HB THR 38 -4.115 -7.025 -26.405 303 HG1 THR 38 HG1 THR 38 -3.446 -7.262 -29.255 304 HG21 THR 38 3HG2 THR 38 -1.373 -6.750 -27.005 305 HG22 THR 38 1HG2 THR 38 -2.187 -5.822 -28.286 306 HG23 THR 38 2HG2 THR 38 -2.481 -5.425 -26.576 307 H LYS 39 HN LYS 39 -0.858 -9.783 -26.306 308 HA LYS 39 HA LYS 39 -2.014 -10.014 -23.629 309 HB2 LYS 39 2HB LYS 39 -0.886 -12.323 -23.542 310 HB3 LYS 39 3HB LYS 39 -2.421 -12.181 -24.375 311 HG2 LYS 39 2HG LYS 39 -1.438 -13.058 -26.220 312 HG3 LYS 39 3HG LYS 39 -0.485 -11.594 -26.357 313 HD2 LYS 39 2HD LYS 39 1.417 -12.602 -25.567 314 HD3 LYS 39 3HD LYS 39 0.557 -13.472 -24.313 315 HE2 LYS 39 2HE LYS 39 -0.274 -15.107 -26.026 316 HE3 LYS 39 3HE LYS 39 0.606 -14.243 -27.271 317 HZ1 LYS 39 3HZ LYS 39 1.848 -15.458 -24.901 318 HZ2 LYS 39 1HZ LYS 39 1.830 -16.125 -26.392 319 HZ3 LYS 39 2HZ LYS 39 2.638 -14.730 -26.131 320 H CYS 40 HN CYS 40 -0.206 -10.571 -21.992 321 HA CYS 40 HA CYS 40 1.823 -8.640 -22.370 322 HB2 CYS 40 2HB CYS 40 1.472 -10.724 -20.205 323 HB3 CYS 40 3HB CYS 40 2.633 -9.412 -20.165 324 H CYS 41 HN CYS 41 3.087 -9.277 -24.200 325 HA CYS 41 HA CYS 41 4.457 -11.846 -23.889 326 HB2 CYS 41 2HB CYS 41 4.997 -11.103 -26.443 327 HB3 CYS 41 3HB CYS 41 3.706 -12.182 -25.955 328 H LYS 42 HN LYS 42 6.811 -11.830 -24.453 329 HA LYS 42 HA LYS 42 8.143 -9.709 -23.219 330 HB2 LYS 42 2HB LYS 42 8.883 -12.127 -23.470 331 HB3 LYS 42 3HB LYS 42 9.349 -11.739 -25.114 332 HG2 LYS 42 2HG LYS 42 11.361 -11.272 -24.066 333 HG3 LYS 42 3HG LYS 42 10.615 -9.694 -23.912 334 HD2 LYS 42 2HD LYS 42 9.627 -11.013 -21.669 335 HD3 LYS 42 3HD LYS 42 11.232 -11.702 -21.813 336 HE2 LYS 42 2HE LYS 42 12.302 -9.673 -21.406 337 HE3 LYS 42 3HE LYS 42 11.026 -8.724 -22.143 338 HZ1 LYS 42 3HZ LYS 42 9.873 -8.675 -20.234 339 HZ2 LYS 42 1HZ LYS 42 10.324 -10.167 -19.747 340 HZ3 LYS 42 2HZ LYS 42 11.341 -8.904 -19.556 341 H LYS 43 HN LYS 43 9.242 -7.906 -23.998 342 HA LYS 43 HA LYS 43 9.177 -7.485 -26.883 343 HB2 LYS 43 2HB LYS 43 7.137 -6.465 -25.554 344 HB3 LYS 43 3HB LYS 43 8.300 -5.237 -25.099 345 HG2 LYS 43 2HG LYS 43 8.204 -6.011 -28.004 346 HG3 LYS 43 3HG LYS 43 6.847 -5.093 -27.383 347 HD2 LYS 43 2HD LYS 43 9.096 -3.769 -26.316 348 HD3 LYS 43 3HD LYS 43 9.601 -4.208 -27.936 349 HE2 LYS 43 2HE LYS 43 8.544 -2.193 -28.411 350 HE3 LYS 43 3HE LYS 43 7.179 -3.275 -28.601 351 HZ1 LYS 43 3HZ LYS 43 7.680 -1.345 -26.556 352 HZ2 LYS 43 1HZ LYS 43 6.260 -1.939 -27.102 353 HZ3 LYS 43 2HZ LYS 43 7.119 -2.771 -25.990 354 HA PRO 44 HA PRO 44 13.158 -6.418 -25.156 355 HB2 PRO 44 2HB PRO 44 14.673 -7.538 -27.135 356 HB3 PRO 44 3HB PRO 44 14.217 -8.395 -25.677 357 HG2 PRO 44 2HG PRO 44 13.140 -8.690 -28.413 358 HG3 PRO 44 3HG PRO 44 13.015 -9.796 -27.060 359 HD2 PRO 44 2HD PRO 44 10.963 -8.049 -28.043 360 HD3 PRO 44 3HD PRO 44 10.879 -9.069 -26.620 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -2.213 -10.383 -3.810 2 HA2 GLY 1 1HA GLY 1 -0.291 -8.712 -4.681 3 HA3 GLY 1 2HA GLY 1 -1.977 -8.562 -5.134 4 H ILE 2 HN ILE 2 0.044 -6.411 -4.780 5 HA ILE 2 HA ILE 2 -1.578 -4.682 -3.192 6 HB ILE 2 HB ILE 2 0.619 -4.031 -1.870 7 HG12 ILE 2 2HG1 ILE 2 0.961 -7.006 -2.347 8 HG13 ILE 2 3HG1 ILE 2 2.045 -5.736 -2.879 9 HG21 ILE 2 1HG2 ILE 2 -1.738 -4.815 -1.108 10 HG22 ILE 2 2HG2 ILE 2 -0.939 -6.380 -0.826 11 HG23 ILE 2 3HG2 ILE 2 -0.369 -4.924 0.024 12 HD11 ILE 2 3HD1 ILE 2 1.842 -7.016 -0.253 13 HD12 ILE 2 1HD1 ILE 2 3.142 -5.992 -0.911 14 HD13 ILE 2 2HD1 ILE 2 1.732 -5.244 -0.122 15 H ILE 3 HN ILE 3 1.628 -5.228 -4.783 16 HA ILE 3 HA ILE 3 1.201 -2.653 -6.130 17 HB ILE 3 HB ILE 3 3.805 -3.789 -5.104 18 HG12 ILE 3 2HG1 ILE 3 2.160 -1.407 -4.202 19 HG13 ILE 3 3HG1 ILE 3 2.438 -2.886 -3.304 20 HG21 ILE 3 1HG2 ILE 3 3.326 -1.154 -6.515 21 HG22 ILE 3 2HG2 ILE 3 4.880 -1.834 -5.976 22 HG23 ILE 3 3HG2 ILE 3 3.979 -2.613 -7.298 23 HD11 ILE 3 3HD1 ILE 3 4.110 -1.584 -2.371 24 HD12 ILE 3 1HD1 ILE 3 5.019 -2.239 -3.754 25 HD13 ILE 3 2HD1 ILE 3 4.315 -0.607 -3.845 26 H ASN 4 HN ASN 4 0.056 -4.097 -7.701 27 HA ASN 4 HA ASN 4 -0.017 -5.106 -9.617 28 HB2 ASN 4 2HB ASN 4 3.004 -4.638 -9.824 29 HB3 ASN 4 3HB ASN 4 1.936 -5.009 -11.162 30 HD21 ASN 4 1HD2 ASN 4 0.500 -3.489 -11.939 31 HD22 ASN 4 2HD2 ASN 4 0.605 -1.800 -11.569 32 H THR 5 HN THR 5 -0.449 -7.307 -9.297 33 HA THR 5 HA THR 5 1.832 -9.013 -8.541 34 HB THR 5 HB THR 5 -0.088 -8.793 -6.886 35 HG1 THR 5 HG1 THR 5 -0.051 -11.103 -6.660 36 HG21 THR 5 3HG2 THR 5 -1.810 -10.665 -8.329 37 HG22 THR 5 1HG2 THR 5 -2.254 -9.137 -7.532 38 HG23 THR 5 2HG2 THR 5 -1.691 -9.129 -9.221 39 H LEU 6 HN LEU 6 -0.108 -8.041 -11.130 40 HA LEU 6 HA LEU 6 -0.261 -8.809 -13.199 41 HB2 LEU 6 2HB LEU 6 1.528 -9.834 -13.973 42 HB3 LEU 6 3HB LEU 6 2.103 -9.907 -12.320 43 HG LEU 6 HG LEU 6 0.763 -12.154 -12.217 44 HD11 LEU 6 1HD1 LEU 6 1.296 -12.963 -14.847 45 HD12 LEU 6 2HD1 LEU 6 -0.294 -12.749 -14.076 46 HD13 LEU 6 3HD1 LEU 6 0.439 -11.410 -14.991 47 HD21 LEU 6 3HD2 LEU 6 2.731 -13.355 -12.703 48 HD22 LEU 6 1HD2 LEU 6 3.287 -12.137 -13.876 49 HD23 LEU 6 2HD2 LEU 6 3.275 -11.757 -12.137 50 H GLN 7 HN GLN 7 -1.338 -10.584 -14.498 51 HA GLN 7 HA GLN 7 -2.445 -12.779 -13.250 52 HB2 GLN 7 2HB GLN 7 -3.730 -10.471 -12.368 53 HB3 GLN 7 3HB GLN 7 -4.767 -10.997 -13.679 54 HG2 GLN 7 2HG GLN 7 -5.694 -12.377 -12.107 55 HG3 GLN 7 3HG GLN 7 -4.311 -13.403 -12.429 56 HE21 GLN 7 1HE2 GLN 7 -5.008 -10.414 -10.610 57 HE22 GLN 7 2HE2 GLN 7 -4.227 -10.870 -9.133 58 H LYS 8 HN LYS 8 -3.821 -10.206 -15.432 59 HA LYS 8 HA LYS 8 -3.097 -11.298 -17.820 60 HB2 LYS 8 2HB LYS 8 -5.318 -12.435 -18.458 61 HB3 LYS 8 3HB LYS 8 -4.153 -13.347 -17.519 62 HG2 LYS 8 2HG LYS 8 -5.693 -11.990 -15.577 63 HG3 LYS 8 3HG LYS 8 -6.864 -12.483 -16.784 64 HD2 LYS 8 2HD LYS 8 -6.657 -14.699 -16.256 65 HD3 LYS 8 3HD LYS 8 -4.908 -14.614 -16.181 66 HE2 LYS 8 2HE LYS 8 -4.974 -14.565 -13.914 67 HE3 LYS 8 3HE LYS 8 -5.957 -13.115 -13.946 68 HZ1 LYS 8 3HZ LYS 8 -7.837 -14.743 -14.460 69 HZ2 LYS 8 1HZ LYS 8 -6.835 -15.893 -13.876 70 HZ3 LYS 8 2HZ LYS 8 -7.292 -14.648 -12.924 71 H TYR 9 HN TYR 9 -6.458 -10.523 -16.703 72 HA TYR 9 HA TYR 9 -7.147 -8.791 -18.628 73 HB2 TYR 9 2HB TYR 9 -8.709 -7.949 -16.921 74 HB3 TYR 9 3HB TYR 9 -8.398 -9.626 -16.519 75 HD1 TYR 9 HD1 TYR 9 -5.944 -9.697 -15.063 76 HD2 TYR 9 HD2 TYR 9 -8.964 -6.666 -15.011 77 HE1 TYR 9 HE1 TYR 9 -5.212 -8.998 -12.731 78 HE2 TYR 9 HE2 TYR 9 -8.221 -5.977 -12.679 79 HH TYR 9 HH TYR 9 -5.518 -6.465 -11.433 80 H TYR 10 HN TYR 10 -4.697 -8.266 -16.149 81 HA TYR 10 HA TYR 10 -4.098 -5.704 -17.374 82 HB2 TYR 10 2HB TYR 10 -4.485 -4.495 -15.367 83 HB3 TYR 10 3HB TYR 10 -5.724 -5.723 -15.196 84 HD1 TYR 10 HD1 TYR 10 -3.745 -8.034 -14.549 85 HD2 TYR 10 HD2 TYR 10 -4.189 -4.061 -13.024 86 HE1 TYR 10 HE1 TYR 10 -2.715 -8.759 -12.340 87 HE2 TYR 10 HE2 TYR 10 -3.158 -4.799 -10.821 88 HH TYR 10 HH TYR 10 -3.064 -7.510 -9.697 89 H CYS 11 HN CYS 11 -3.053 -8.648 -16.817 90 HA CYS 11 HA CYS 11 -1.000 -8.790 -15.149 91 HB2 CYS 11 2HB CYS 11 -1.316 -10.679 -16.412 92 HB3 CYS 11 3HB CYS 11 -1.383 -9.804 -17.929 93 H ARG 12 HN ARG 12 -1.119 -6.972 -18.261 94 HA ARG 12 HA ARG 12 0.138 -5.438 -19.116 95 HB2 ARG 12 2HB ARG 12 -0.185 -4.022 -17.233 96 HB3 ARG 12 3HB ARG 12 0.766 -5.045 -16.174 97 HG2 ARG 12 2HG ARG 12 2.847 -4.382 -17.318 98 HG3 ARG 12 3HG ARG 12 1.944 -3.472 -18.513 99 HD2 ARG 12 2HD ARG 12 1.338 -1.776 -16.965 100 HD3 ARG 12 3HD ARG 12 1.593 -2.812 -15.575 101 HE ARG 12 HE ARG 12 4.097 -2.581 -16.883 102 HH11 ARG 12 2HH2 ARG 12 1.812 -0.490 -15.213 103 HH12 ARG 12 1HH2 ARG 12 3.026 0.623 -14.677 104 HH21 ARG 12 2HH1 ARG 12 5.699 -1.113 -16.176 105 HH22 ARG 12 1HH1 ARG 12 5.252 0.266 -15.228 106 H VAL 13 HN VAL 13 2.397 -4.893 -19.823 107 HA VAL 13 HA VAL 13 4.368 -6.870 -18.933 108 HB VAL 13 HB VAL 13 5.004 -6.708 -21.516 109 HG11 VAL 13 1HG1 VAL 13 3.017 -8.708 -21.499 110 HG12 VAL 13 2HG1 VAL 13 4.752 -8.894 -21.149 111 HG13 VAL 13 3HG1 VAL 13 3.604 -8.588 -19.823 112 HG21 VAL 13 3HG2 VAL 13 2.960 -6.813 -22.908 113 HG22 VAL 13 1HG2 VAL 13 1.986 -6.372 -21.485 114 HG23 VAL 13 2HG2 VAL 13 3.177 -5.222 -22.140 115 H ARG 14 HN ARG 14 3.661 -3.806 -20.718 116 HA ARG 14 HA ARG 14 5.998 -2.709 -19.442 117 HB2 ARG 14 2HB ARG 14 6.889 -3.414 -21.613 118 HB3 ARG 14 3HB ARG 14 5.528 -2.708 -22.462 119 HG2 ARG 14 2HG ARG 14 6.823 -0.705 -20.764 120 HG3 ARG 14 3HG ARG 14 7.994 -1.449 -21.834 121 HD2 ARG 14 2HD ARG 14 5.512 -0.884 -23.283 122 HD3 ARG 14 3HD ARG 14 6.104 0.568 -22.500 123 HE ARG 14 HE ARG 14 8.340 -0.687 -23.722 124 HH11 ARG 14 2HH2 ARG 14 5.331 0.860 -24.687 125 HH12 ARG 14 1HH2 ARG 14 5.945 1.389 -26.218 126 HH21 ARG 14 2HH1 ARG 14 9.151 0.011 -25.742 127 HH22 ARG 14 1HH1 ARG 14 8.132 0.903 -26.822 128 H GLY 15 HN GLY 15 4.658 -1.323 -18.196 129 HA2 GLY 15 1HA GLY 15 3.107 0.273 -17.757 130 HA3 GLY 15 2HA GLY 15 3.987 1.139 -19.002 131 H ALA 16 HN ALA 16 1.582 -1.598 -18.888 132 HA ALA 16 HA ALA 16 -0.584 -0.398 -19.888 133 HB1 ALA 16 1HB ALA 16 0.047 0.440 -21.897 134 HB2 ALA 16 2HB ALA 16 1.518 -0.560 -21.957 135 HB3 ALA 16 3HB ALA 16 -0.046 -1.247 -22.459 136 H ILE 17 HN ILE 17 -2.243 -1.926 -20.276 137 HA ILE 17 HA ILE 17 -1.602 -4.557 -19.416 138 HB ILE 17 HB ILE 17 -3.827 -4.830 -19.148 139 HG12 ILE 17 2HG1 ILE 17 -4.325 -4.822 -21.573 140 HG13 ILE 17 3HG1 ILE 17 -5.580 -4.071 -20.608 141 HG21 ILE 17 1HG2 ILE 17 -2.932 -2.459 -18.329 142 HG22 ILE 17 2HG2 ILE 17 -4.196 -1.888 -19.445 143 HG23 ILE 17 3HG2 ILE 17 -4.620 -2.974 -18.100 144 HD11 ILE 17 3HD1 ILE 17 -4.983 -1.877 -21.292 145 HD12 ILE 17 1HD1 ILE 17 -3.362 -2.389 -21.821 146 HD13 ILE 17 2HD1 ILE 17 -4.795 -2.846 -22.774 147 H CYS 18 HN CYS 18 -0.828 -6.190 -20.630 148 HA CYS 18 HA CYS 18 -0.288 -7.407 -22.373 149 HB2 CYS 18 2HB CYS 18 -2.627 -6.537 -23.999 150 HB3 CYS 18 3HB CYS 18 -1.951 -8.136 -23.762 151 H HIS 19 HN HIS 19 0.367 -7.295 -24.792 152 HA HIS 19 HA HIS 19 1.843 -4.994 -25.215 153 HB2 HIS 19 2HB HIS 19 2.394 -7.177 -26.163 154 HB3 HIS 19 3HB HIS 19 0.960 -7.136 -27.169 155 HD1 HIS 19 HD1 HIS 19 1.063 -4.398 -28.461 156 HD2 HIS 19 HD2 HIS 19 4.481 -6.756 -27.866 157 HE1 HIS 19 HE1 HIS 19 2.796 -3.584 -30.147 158 HE2 HIS 19 HE2 HIS 19 4.892 -5.033 -29.697 159 HA PRO 20 HA PRO 20 -1.132 -2.318 -26.887 160 HB2 PRO 20 2HB PRO 20 0.518 -0.346 -27.812 161 HB3 PRO 20 3HB PRO 20 0.018 -0.469 -26.137 162 HG2 PRO 20 2HG PRO 20 2.633 -1.136 -27.345 163 HG3 PRO 20 3HG PRO 20 2.243 -0.847 -25.661 164 HD2 PRO 20 2HD PRO 20 2.697 -3.391 -26.904 165 HD3 PRO 20 3HD PRO 20 2.194 -3.108 -25.249 166 H VAL 21 HN VAL 21 -2.285 -1.881 -28.737 167 HA VAL 21 HA VAL 21 -2.700 -1.881 -30.922 168 HB VAL 21 HB VAL 21 0.150 -2.647 -31.516 169 HG11 VAL 21 1HG1 VAL 21 -0.900 -2.604 -33.545 170 HG12 VAL 21 2HG1 VAL 21 -2.145 -1.452 -33.005 171 HG13 VAL 21 3HG1 VAL 21 -0.511 -0.873 -33.407 172 HG21 VAL 21 3HG2 VAL 21 -0.862 -0.148 -30.296 173 HG22 VAL 21 1HG2 VAL 21 0.778 -0.841 -30.311 174 HG23 VAL 21 2HG2 VAL 21 0.183 0.070 -31.720 175 H PHE 22 HN PHE 22 -0.263 -4.466 -30.140 176 HA PHE 22 HA PHE 22 -2.258 -6.474 -30.450 177 HB2 PHE 22 2HB PHE 22 -1.514 -7.372 -32.529 178 HB3 PHE 22 3HB PHE 22 -1.331 -5.655 -32.827 179 HD1 PHE 22 HD1 PHE 22 1.179 -5.436 -30.959 180 HD2 PHE 22 HD2 PHE 22 0.130 -7.995 -34.178 181 HE1 PHE 22 HE1 PHE 22 3.610 -5.784 -31.474 182 HE2 PHE 22 HE2 PHE 22 2.562 -8.343 -34.693 183 HZ PHE 22 HZ PHE 22 4.273 -7.233 -33.335 184 H CYS 23 HN CYS 23 -0.385 -8.617 -31.094 185 HA CYS 23 HA CYS 23 1.637 -8.353 -29.026 186 HB2 CYS 23 2HB CYS 23 -0.802 -9.701 -28.570 187 HB3 CYS 23 3HB CYS 23 0.406 -10.949 -28.808 188 HA PRO 24 HA PRO 24 3.670 -10.498 -32.256 189 HB2 PRO 24 2HB PRO 24 6.115 -10.800 -31.074 190 HB3 PRO 24 3HB PRO 24 5.624 -9.334 -31.899 191 HG2 PRO 24 2HG PRO 24 5.841 -9.843 -28.995 192 HG3 PRO 24 3HG PRO 24 5.772 -8.308 -29.838 193 HD2 PRO 24 2HD PRO 24 3.641 -9.569 -28.389 194 HD3 PRO 24 3HD PRO 24 3.540 -8.093 -29.329 195 H ARG 25 HN ARG 25 5.811 -12.378 -31.736 196 HA ARG 25 HA ARG 25 4.239 -14.440 -30.434 197 HB2 ARG 25 2HB ARG 25 5.165 -14.346 -33.255 198 HB3 ARG 25 3HB ARG 25 5.619 -15.826 -32.434 199 HG2 ARG 25 2HG ARG 25 3.379 -16.456 -32.026 200 HG3 ARG 25 3HG ARG 25 2.784 -14.812 -32.140 201 HD2 ARG 25 2HD ARG 25 4.066 -15.802 -34.637 202 HD3 ARG 25 3HD ARG 25 2.634 -16.697 -34.172 203 HE ARG 25 HE ARG 25 1.887 -14.027 -33.874 204 HH11 ARG 25 2HH2 ARG 25 3.160 -15.977 -36.512 205 HH12 ARG 25 1HH2 ARG 25 2.385 -15.042 -37.747 206 HH21 ARG 25 2HH1 ARG 25 0.864 -12.793 -35.503 207 HH22 ARG 25 1HH1 ARG 25 1.070 -13.219 -37.169 208 H ARG 26 HN ARG 26 5.633 -16.349 -29.739 209 HA ARG 26 HA ARG 26 7.434 -17.266 -28.941 210 HB2 ARG 26 2HB ARG 26 8.523 -15.906 -31.091 211 HB3 ARG 26 3HB ARG 26 9.428 -15.198 -29.768 212 HG2 ARG 26 2HG ARG 26 10.561 -17.148 -29.315 213 HG3 ARG 26 3HG ARG 26 9.155 -18.155 -29.598 214 HD2 ARG 26 2HD ARG 26 11.196 -18.250 -31.286 215 HD3 ARG 26 3HD ARG 26 9.557 -18.327 -31.903 216 HE ARG 26 HE ARG 26 9.819 -16.189 -32.846 217 HH11 ARG 26 2HH2 ARG 26 12.442 -16.815 -30.585 218 HH12 ARG 26 1HH2 ARG 26 13.350 -15.416 -31.053 219 HH21 ARG 26 2HH1 ARG 26 11.016 -14.343 -33.463 220 HH22 ARG 26 1HH1 ARG 26 12.533 -14.000 -32.701 221 H TYR 27 HN TYR 27 6.477 -14.014 -28.410 222 HA TYR 27 HA TYR 27 8.201 -12.930 -26.638 223 HB2 TYR 27 2HB TYR 27 5.825 -12.278 -25.517 224 HB3 TYR 27 3HB TYR 27 6.223 -11.695 -27.121 225 HD1 TYR 27 HD2 TYR 27 5.453 -15.251 -26.637 226 HD2 TYR 27 HD1 TYR 27 3.843 -11.422 -27.665 227 HE1 TYR 27 HE2 TYR 27 3.366 -16.369 -27.565 228 HE2 TYR 27 HE1 TYR 27 1.761 -12.554 -28.588 229 HH TYR 27 HH TYR 27 1.631 -15.817 -29.257 230 H LYS 28 HN LYS 28 5.283 -14.004 -24.970 231 HA LYS 28 HA LYS 28 6.043 -16.254 -23.695 232 HB2 LYS 28 2HB LYS 28 7.660 -13.978 -22.769 233 HB3 LYS 28 3HB LYS 28 6.849 -14.833 -21.473 234 HG2 LYS 28 2HG LYS 28 8.129 -16.716 -21.738 235 HG3 LYS 28 3HG LYS 28 8.044 -16.649 -23.487 236 HD2 LYS 28 2HD LYS 28 9.631 -14.473 -23.047 237 HD3 LYS 28 3HD LYS 28 10.054 -15.417 -21.632 238 HE2 LYS 28 2HE LYS 28 9.972 -16.882 -24.257 239 HE3 LYS 28 3HE LYS 28 11.283 -15.741 -24.034 240 HZ1 LYS 28 3HZ LYS 28 10.647 -17.729 -21.984 241 HZ2 LYS 28 1HZ LYS 28 11.632 -18.086 -23.237 242 HZ3 LYS 28 2HZ LYS 28 12.037 -16.898 -22.192 243 H GLN 29 HN GLN 29 3.788 -16.488 -23.781 244 HA GLN 29 HA GLN 29 1.994 -14.595 -22.951 245 HB2 GLN 29 2HB GLN 29 1.651 -16.865 -24.194 246 HB3 GLN 29 3HB GLN 29 1.526 -17.574 -22.596 247 HG2 GLN 29 2HG GLN 29 -0.128 -15.245 -22.551 248 HG3 GLN 29 3HG GLN 29 -0.460 -16.039 -24.077 249 HE21 GLN 29 1HE2 GLN 29 -2.516 -16.014 -22.560 250 HE22 GLN 29 2HE2 GLN 29 -2.834 -17.507 -21.741 251 H ILE 30 HN ILE 30 1.457 -13.755 -20.979 252 HA ILE 30 HA ILE 30 1.842 -15.438 -18.633 253 HB ILE 30 HB ILE 30 2.873 -13.426 -17.478 254 HG12 ILE 30 2HG1 ILE 30 3.931 -12.550 -20.125 255 HG13 ILE 30 3HG1 ILE 30 2.309 -12.038 -19.704 256 HG21 ILE 30 1HG2 ILE 30 4.818 -14.512 -17.627 257 HG22 ILE 30 2HG2 ILE 30 3.968 -15.621 -18.728 258 HG23 ILE 30 3HG2 ILE 30 4.925 -14.273 -19.387 259 HD11 ILE 30 3HD1 ILE 30 3.289 -11.291 -17.427 260 HD12 ILE 30 1HD1 ILE 30 4.887 -11.509 -18.181 261 HD13 ILE 30 2HD1 ILE 30 3.740 -10.325 -18.853 262 H GLY 31 HN GLY 31 -0.328 -14.114 -20.477 263 HA2 GLY 31 1HA GLY 31 -2.396 -13.905 -18.804 264 HA3 GLY 31 2HA GLY 31 -1.653 -12.330 -18.604 265 H THR 32 HN THR 32 -3.879 -11.702 -19.535 266 HA THR 32 HA THR 32 -3.562 -10.772 -22.132 267 HB THR 32 HB THR 32 -3.894 -13.409 -22.400 268 HG1 THR 32 HG1 THR 32 -5.486 -11.325 -23.725 269 HG21 THR 32 3HG2 THR 32 -6.189 -14.098 -22.606 270 HG22 THR 32 1HG2 THR 32 -6.112 -13.278 -21.028 271 HG23 THR 32 2HG2 THR 32 -6.783 -12.428 -22.440 272 H CYS 33 HN CYS 33 -5.247 -9.366 -22.763 273 HA CYS 33 HA CYS 33 -7.154 -8.928 -20.584 274 HB2 CYS 33 2HB CYS 33 -7.280 -6.587 -21.646 275 HB3 CYS 33 3HB CYS 33 -5.904 -7.002 -20.643 276 H GLY 34 HN GLY 34 -9.173 -7.572 -21.657 277 HA2 GLY 34 1HA GLY 34 -10.644 -9.364 -23.157 278 HA3 GLY 34 2HA GLY 34 -10.977 -7.651 -22.993 279 H LEU 35 HN LEU 35 -9.278 -10.132 -24.934 280 HA LEU 35 HA LEU 35 -9.853 -9.235 -27.365 281 HB2 LEU 35 2HB LEU 35 -7.922 -7.407 -26.125 282 HB3 LEU 35 3HB LEU 35 -7.414 -8.016 -27.688 283 HG LEU 35 HG LEU 35 -10.210 -7.049 -27.573 284 HD11 LEU 35 1HD1 LEU 35 -8.509 -5.494 -26.163 285 HD12 LEU 35 2HD1 LEU 35 -8.254 -4.839 -27.798 286 HD13 LEU 35 3HD1 LEU 35 -9.890 -4.869 -27.097 287 HD21 LEU 35 3HD2 LEU 35 -9.280 -7.768 -29.669 288 HD22 LEU 35 1HD2 LEU 35 -9.529 -6.007 -29.727 289 HD23 LEU 35 2HD2 LEU 35 -7.894 -6.667 -29.487 290 HA PRO 36 HA PRO 36 -7.450 -12.849 -27.711 291 HB2 PRO 36 2HB PRO 36 -8.268 -13.585 -30.212 292 HB3 PRO 36 3HB PRO 36 -9.160 -13.982 -28.757 293 HG2 PRO 36 2HG PRO 36 -9.769 -11.938 -30.804 294 HG3 PRO 36 3HG PRO 36 -10.833 -12.637 -29.600 295 HD2 PRO 36 2HD PRO 36 -9.614 -10.042 -29.514 296 HD3 PRO 36 3HD PRO 36 -10.583 -10.787 -28.258 297 H GLY 37 HN GLY 37 -6.881 -9.956 -28.993 298 HA2 GLY 37 1HA GLY 37 -4.547 -10.978 -30.502 299 HA3 GLY 37 2HA GLY 37 -5.452 -9.547 -30.951 300 H THR 38 HN THR 38 -5.392 -9.805 -27.546 301 HA THR 38 HA THR 38 -2.890 -8.286 -27.340 302 HB THR 38 HB THR 38 -5.463 -7.451 -25.932 303 HG1 THR 38 HG1 THR 38 -5.602 -7.502 -28.358 304 HG21 THR 38 3HG2 THR 38 -4.107 -5.801 -25.124 305 HG22 THR 38 1HG2 THR 38 -2.722 -6.503 -25.995 306 HG23 THR 38 2HG2 THR 38 -3.760 -5.299 -26.796 307 H LYS 39 HN LYS 39 -1.790 -10.018 -26.428 308 HA LYS 39 HA LYS 39 -2.921 -10.947 -23.882 309 HB2 LYS 39 2HB LYS 39 -1.489 -12.952 -24.207 310 HB3 LYS 39 3HB LYS 39 -2.733 -12.770 -25.427 311 HG2 LYS 39 2HG LYS 39 -0.910 -13.204 -26.803 312 HG3 LYS 39 3HG LYS 39 -0.818 -11.455 -26.748 313 HD2 LYS 39 2HD LYS 39 1.394 -12.055 -26.239 314 HD3 LYS 39 3HD LYS 39 0.717 -11.831 -24.638 315 HE2 LYS 39 2HE LYS 39 0.529 -14.178 -24.248 316 HE3 LYS 39 3HE LYS 39 0.630 -14.567 -25.954 317 HZ1 LYS 39 3HZ LYS 39 2.815 -13.489 -24.311 318 HZ2 LYS 39 1HZ LYS 39 2.692 -15.018 -24.871 319 HZ3 LYS 39 2HZ LYS 39 2.918 -13.782 -25.914 320 H CYS 40 HN CYS 40 -1.163 -11.530 -22.221 321 HA CYS 40 HA CYS 40 0.483 -9.206 -21.959 322 HB2 CYS 40 2HB CYS 40 -0.816 -10.355 -20.101 323 HB3 CYS 40 3HB CYS 40 0.404 -11.613 -20.138 324 H CYS 41 HN CYS 41 2.117 -9.325 -23.568 325 HA CYS 41 HA CYS 41 3.853 -11.677 -23.348 326 HB2 CYS 41 2HB CYS 41 4.570 -10.785 -25.731 327 HB3 CYS 41 3HB CYS 41 3.237 -11.900 -25.506 328 H LYS 42 HN LYS 42 6.083 -11.264 -23.028 329 HA LYS 42 HA LYS 42 6.778 -8.891 -21.783 330 HB2 LYS 42 2HB LYS 42 8.573 -10.948 -23.106 331 HB3 LYS 42 3HB LYS 42 9.087 -9.736 -21.950 332 HG2 LYS 42 2HG LYS 42 6.827 -11.633 -21.244 333 HG3 LYS 42 3HG LYS 42 8.490 -12.169 -21.108 334 HD2 LYS 42 2HD LYS 42 7.738 -9.514 -19.877 335 HD3 LYS 42 3HD LYS 42 7.240 -10.980 -19.056 336 HE2 LYS 42 2HE LYS 42 9.456 -11.673 -18.640 337 HE3 LYS 42 3HE LYS 42 10.109 -10.756 -19.984 338 HZ1 LYS 42 3HZ LYS 42 10.661 -9.623 -18.029 339 HZ2 LYS 42 1HZ LYS 42 9.468 -8.738 -18.708 340 HZ3 LYS 42 2HZ LYS 42 9.145 -9.696 -17.425 341 H LYS 43 HN LYS 43 9.176 -7.973 -22.881 342 HA LYS 43 HA LYS 43 8.820 -7.329 -25.631 343 HB2 LYS 43 2HB LYS 43 7.117 -5.858 -24.432 344 HB3 LYS 43 3HB LYS 43 8.473 -5.024 -23.701 345 HG2 LYS 43 2HG LYS 43 7.847 -3.800 -25.704 346 HG3 LYS 43 3HG LYS 43 9.393 -4.566 -26.010 347 HD2 LYS 43 2HD LYS 43 8.506 -6.094 -27.528 348 HD3 LYS 43 3HD LYS 43 6.946 -6.153 -26.730 349 HE2 LYS 43 2HE LYS 43 6.842 -4.998 -28.955 350 HE3 LYS 43 3HE LYS 43 6.321 -3.964 -27.640 351 HZ1 LYS 43 3HZ LYS 43 8.965 -3.944 -28.918 352 HZ2 LYS 43 1HZ LYS 43 7.820 -2.784 -29.022 353 HZ3 LYS 43 2HZ LYS 43 8.582 -3.054 -27.603 354 HA PRO 44 HA PRO 44 13.036 -7.233 -24.137 355 HB2 PRO 44 2HB PRO 44 14.119 -8.744 -26.139 356 HB3 PRO 44 3HB PRO 44 13.554 -9.423 -24.626 357 HG2 PRO 44 2HG PRO 44 12.282 -9.525 -27.292 358 HG3 PRO 44 3HG PRO 44 11.973 -10.528 -25.889 359 HD2 PRO 44 2HD PRO 44 10.350 -8.364 -26.843 360 HD3 PRO 44 3HD PRO 44 10.104 -9.291 -25.376 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -1.824 -3.601 2.926 2 HA2 GLY 1 1HA GLY 1 -1.700 -2.470 0.194 3 HA3 GLY 1 2HA GLY 1 -0.437 -3.431 0.938 4 H ILE 2 HN ILE 2 -2.914 -3.567 -1.276 5 HA ILE 2 HA ILE 2 -3.270 -6.444 -0.803 6 HB ILE 2 HB ILE 2 -5.508 -6.299 -1.645 7 HG12 ILE 2 2HG1 ILE 2 -5.150 -3.298 -1.872 8 HG13 ILE 2 3HG1 ILE 2 -5.069 -4.402 -3.231 9 HG21 ILE 2 1HG2 ILE 2 -4.731 -5.529 0.820 10 HG22 ILE 2 2HG2 ILE 2 -5.617 -4.073 0.308 11 HG23 ILE 2 3HG2 ILE 2 -6.432 -5.656 0.311 12 HD11 ILE 2 3HD1 ILE 2 -7.365 -5.087 -2.947 13 HD12 ILE 2 1HD1 ILE 2 -7.466 -4.302 -1.352 14 HD13 ILE 2 2HD1 ILE 2 -7.349 -3.312 -2.826 15 H ILE 3 HN ILE 3 -1.192 -4.894 -2.312 16 HA ILE 3 HA ILE 3 -1.782 -4.935 -5.042 17 HB ILE 3 HB ILE 3 0.641 -4.808 -5.336 18 HG12 ILE 3 2HG1 ILE 3 1.741 -4.566 -2.827 19 HG13 ILE 3 3HG1 ILE 3 0.644 -5.915 -2.606 20 HG21 ILE 3 1HG2 ILE 3 -0.177 -2.699 -5.017 21 HG22 ILE 3 2HG2 ILE 3 -0.811 -3.063 -3.394 22 HG23 ILE 3 3HG2 ILE 3 0.935 -2.806 -3.630 23 HD11 ILE 3 3HD1 ILE 3 1.658 -7.167 -4.408 24 HD12 ILE 3 1HD1 ILE 3 2.584 -5.747 -4.951 25 HD13 ILE 3 2HD1 ILE 3 2.988 -6.536 -3.407 26 H ASN 4 HN ASN 4 -1.137 -6.450 -6.707 27 HA ASN 4 HA ASN 4 -0.923 -9.152 -5.629 28 HB2 ASN 4 2HB ASN 4 -2.323 -8.139 -8.157 29 HB3 ASN 4 3HB ASN 4 -2.063 -9.841 -7.828 30 HD21 ASN 4 1HD2 ASN 4 -4.013 -10.608 -7.429 31 HD22 ASN 4 2HD2 ASN 4 -5.119 -10.040 -6.223 32 H THR 5 HN THR 5 -0.273 -6.968 -8.468 33 HA THR 5 HA THR 5 1.428 -6.833 -9.893 34 HB THR 5 HB THR 5 3.035 -8.601 -7.992 35 HG1 THR 5 HG1 THR 5 2.499 -7.012 -6.547 36 HG21 THR 5 3HG2 THR 5 3.748 -6.061 -9.548 37 HG22 THR 5 1HG2 THR 5 4.865 -7.079 -8.608 38 HG23 THR 5 2HG2 THR 5 4.138 -7.706 -10.107 39 H LEU 6 HN LEU 6 1.364 -7.741 -11.842 40 HA LEU 6 HA LEU 6 1.472 -9.281 -13.430 41 HB2 LEU 6 2HB LEU 6 3.181 -10.283 -11.549 42 HB3 LEU 6 3HB LEU 6 2.052 -11.610 -11.729 43 HG LEU 6 HG LEU 6 3.878 -10.396 -13.793 44 HD11 LEU 6 1HD1 LEU 6 3.654 -12.950 -12.329 45 HD12 LEU 6 2HD1 LEU 6 4.033 -13.092 -14.062 46 HD13 LEU 6 3HD1 LEU 6 5.080 -12.122 -12.999 47 HD21 LEU 6 3HD2 LEU 6 2.718 -12.006 -15.422 48 HD22 LEU 6 1HD2 LEU 6 1.353 -11.969 -14.280 49 HD23 LEU 6 2HD2 LEU 6 1.909 -10.465 -15.052 50 H GLN 7 HN GLN 7 -0.211 -10.267 -14.472 51 HA GLN 7 HA GLN 7 -1.930 -12.027 -13.120 52 HB2 GLN 7 2HB GLN 7 -2.819 -9.162 -13.495 53 HB3 GLN 7 3HB GLN 7 -4.003 -10.448 -13.615 54 HG2 GLN 7 2HG GLN 7 -2.724 -11.221 -11.322 55 HG3 GLN 7 3HG GLN 7 -2.472 -9.489 -11.225 56 HE21 GLN 7 1HE2 GLN 7 -4.054 -8.210 -10.566 57 HE22 GLN 7 2HE2 GLN 7 -5.698 -8.674 -10.276 58 H LYS 8 HN LYS 8 -2.841 -9.572 -15.609 59 HA LYS 8 HA LYS 8 -2.070 -10.985 -17.849 60 HB2 LYS 8 2HB LYS 8 -4.459 -11.812 -18.487 61 HB3 LYS 8 3HB LYS 8 -3.416 -12.819 -17.502 62 HG2 LYS 8 2HG LYS 8 -4.857 -11.033 -15.742 63 HG3 LYS 8 3HG LYS 8 -6.013 -11.761 -16.840 64 HD2 LYS 8 2HD LYS 8 -5.714 -13.880 -15.978 65 HD3 LYS 8 3HD LYS 8 -3.993 -13.657 -15.737 66 HE2 LYS 8 2HE LYS 8 -5.362 -11.853 -13.949 67 HE3 LYS 8 3HE LYS 8 -6.116 -13.427 -13.792 68 HZ1 LYS 8 3HZ LYS 8 -4.244 -14.311 -12.969 69 HZ2 LYS 8 1HZ LYS 8 -3.236 -13.405 -13.881 70 HZ3 LYS 8 2HZ LYS 8 -3.915 -12.770 -12.538 71 H TYR 9 HN TYR 9 -5.396 -9.737 -17.217 72 HA TYR 9 HA TYR 9 -5.514 -8.040 -19.328 73 HB2 TYR 9 2HB TYR 9 -7.341 -7.038 -18.015 74 HB3 TYR 9 3HB TYR 9 -7.267 -8.726 -17.550 75 HD1 TYR 9 HD1 TYR 9 -4.957 -8.728 -15.674 76 HD2 TYR 9 HD2 TYR 9 -8.164 -5.932 -16.122 77 HE1 TYR 9 HE1 TYR 9 -4.708 -8.041 -13.239 78 HE2 TYR 9 HE2 TYR 9 -7.903 -5.254 -13.686 79 HH TYR 9 HH TYR 9 -7.049 -6.285 -11.614 80 H TYR 10 HN TYR 10 -3.515 -7.715 -16.485 81 HA TYR 10 HA TYR 10 -2.622 -5.128 -17.482 82 HB2 TYR 10 2HB TYR 10 -3.298 -4.032 -15.521 83 HB3 TYR 10 3HB TYR 10 -4.442 -5.353 -15.391 84 HD1 TYR 10 HD1 TYR 10 -2.516 -7.572 -14.639 85 HD2 TYR 10 HD2 TYR 10 -2.881 -3.543 -13.247 86 HE1 TYR 10 HE1 TYR 10 -1.485 -8.240 -12.414 87 HE2 TYR 10 HE2 TYR 10 -1.848 -4.225 -11.026 88 HH TYR 10 HH TYR 10 -0.931 -7.607 -10.427 89 H CYS 11 HN CYS 11 -1.814 -8.178 -17.011 90 HA CYS 11 HA CYS 11 0.068 -8.519 -15.171 91 HB2 CYS 11 2HB CYS 11 0.331 -10.376 -16.328 92 HB3 CYS 11 3HB CYS 11 -0.567 -9.683 -17.663 93 H ARG 12 HN ARG 12 0.181 -6.361 -18.002 94 HA ARG 12 HA ARG 12 2.903 -5.662 -17.259 95 HB2 ARG 12 2HB ARG 12 1.367 -5.623 -19.853 96 HB3 ARG 12 3HB ARG 12 2.580 -4.377 -19.632 97 HG2 ARG 12 2HG ARG 12 3.265 -7.279 -19.062 98 HG3 ARG 12 3HG ARG 12 3.273 -6.685 -20.711 99 HD2 ARG 12 2HD ARG 12 4.872 -5.461 -18.408 100 HD3 ARG 12 3HD ARG 12 5.533 -6.533 -19.627 101 HE ARG 12 HE ARG 12 4.415 -4.577 -21.181 102 HH11 ARG 12 2HH2 ARG 12 6.530 -4.417 -18.373 103 HH12 ARG 12 1HH2 ARG 12 7.275 -2.930 -18.859 104 HH21 ARG 12 2HH1 ARG 12 5.398 -2.616 -21.823 105 HH22 ARG 12 1HH1 ARG 12 6.626 -1.900 -20.835 106 H VAL 13 HN VAL 13 2.312 -4.236 -15.501 107 HA VAL 13 HA VAL 13 0.346 -2.402 -15.398 108 HB VAL 13 HB VAL 13 3.196 -1.942 -14.497 109 HG11 VAL 13 1HG1 VAL 13 1.873 0.040 -14.207 110 HG12 VAL 13 2HG1 VAL 13 0.525 -0.892 -13.513 111 HG13 VAL 13 3HG1 VAL 13 2.052 -0.732 -12.613 112 HG21 VAL 13 3HG2 VAL 13 1.945 -2.958 -12.312 113 HG22 VAL 13 1HG2 VAL 13 1.138 -3.881 -13.603 114 HG23 VAL 13 2HG2 VAL 13 2.911 -3.929 -13.449 115 H ARG 14 HN ARG 14 0.450 0.047 -15.648 116 HA ARG 14 HA ARG 14 0.861 1.864 -16.779 117 HB2 ARG 14 2HB ARG 14 2.926 0.441 -18.517 118 HB3 ARG 14 3HB ARG 14 2.806 2.160 -18.198 119 HG2 ARG 14 2HG ARG 14 3.025 1.109 -15.628 120 HG3 ARG 14 3HG ARG 14 4.038 0.020 -16.554 121 HD2 ARG 14 2HD ARG 14 4.278 3.061 -16.716 122 HD3 ARG 14 3HD ARG 14 5.229 2.083 -15.617 123 HE ARG 14 HE ARG 14 5.627 0.867 -18.087 124 HH11 ARG 14 2HH2 ARG 14 6.046 4.132 -16.844 125 HH12 ARG 14 1HH2 ARG 14 7.344 4.514 -17.926 126 HH21 ARG 14 2HH1 ARG 14 7.338 1.370 -19.515 127 HH22 ARG 14 1HH1 ARG 14 8.083 2.933 -19.456 128 H GLY 15 HN GLY 15 0.993 2.567 -19.392 129 HA2 GLY 15 1HA GLY 15 -1.352 1.373 -20.524 130 HA3 GLY 15 2HA GLY 15 -0.376 2.665 -21.193 131 H ALA 16 HN ALA 16 0.188 -0.830 -20.328 132 HA ALA 16 HA ALA 16 0.630 -1.508 -23.064 133 HB1 ALA 16 1HB ALA 16 3.078 -2.056 -21.484 134 HB2 ALA 16 2HB ALA 16 2.900 -1.542 -23.179 135 HB3 ALA 16 3HB ALA 16 2.804 -0.340 -21.870 136 H ILE 17 HN ILE 17 -1.185 -2.299 -20.978 137 HA ILE 17 HA ILE 17 -0.521 -4.388 -19.413 138 HB ILE 17 HB ILE 17 -2.771 -4.999 -19.430 139 HG12 ILE 17 2HG1 ILE 17 -2.703 -4.183 -22.299 140 HG13 ILE 17 3HG1 ILE 17 -3.400 -5.605 -21.549 141 HG21 ILE 17 1HG2 ILE 17 -2.116 -2.526 -18.888 142 HG22 ILE 17 2HG2 ILE 17 -3.076 -2.157 -20.340 143 HG23 ILE 17 3HG2 ILE 17 -3.829 -3.005 -18.968 144 HD11 ILE 17 3HD1 ILE 17 -5.310 -4.357 -22.131 145 HD12 ILE 17 1HD1 ILE 17 -5.073 -3.904 -20.426 146 HD13 ILE 17 2HD1 ILE 17 -4.540 -2.806 -21.721 147 H CYS 18 HN CYS 18 -0.551 -4.272 -22.942 148 HA CYS 18 HA CYS 18 0.766 -6.806 -22.995 149 HB2 CYS 18 2HB CYS 18 -0.936 -7.582 -24.836 150 HB3 CYS 18 3HB CYS 18 -1.191 -7.940 -23.139 151 H HIS 19 HN HIS 19 1.387 -7.279 -25.409 152 HA HIS 19 HA HIS 19 2.793 -5.268 -26.453 153 HB2 HIS 19 2HB HIS 19 2.937 -7.591 -27.186 154 HB3 HIS 19 3HB HIS 19 1.373 -7.475 -27.968 155 HD1 HIS 19 HD1 HIS 19 1.576 -4.930 -29.603 156 HD2 HIS 19 HD2 HIS 19 4.754 -7.641 -29.218 157 HE1 HIS 19 HE1 HIS 19 3.095 -4.542 -31.616 158 HE2 HIS 19 HE2 HIS 19 5.057 -6.198 -31.296 159 HA PRO 20 HA PRO 20 -0.074 -2.414 -28.016 160 HB2 PRO 20 2HB PRO 20 1.629 -0.795 -29.411 161 HB3 PRO 20 3HB PRO 20 1.387 -0.666 -27.680 162 HG2 PRO 20 2HG PRO 20 3.684 -1.807 -29.151 163 HG3 PRO 20 3HG PRO 20 3.600 -1.285 -27.480 164 HD2 PRO 20 2HD PRO 20 3.553 -3.988 -28.438 165 HD3 PRO 20 3HD PRO 20 3.352 -3.461 -26.779 166 H VAL 21 HN VAL 21 -1.465 -2.076 -29.706 167 HA VAL 21 HA VAL 21 -2.216 -2.252 -31.794 168 HB VAL 21 HB VAL 21 0.397 -3.430 -32.708 169 HG11 VAL 21 1HG1 VAL 21 -0.900 -3.428 -34.573 170 HG12 VAL 21 2HG1 VAL 21 -1.978 -2.152 -33.958 171 HG13 VAL 21 3HG1 VAL 21 -0.394 -1.723 -34.647 172 HG21 VAL 21 3HG2 VAL 21 1.445 -1.618 -31.881 173 HG22 VAL 21 1HG2 VAL 21 0.660 -0.744 -33.219 174 HG23 VAL 21 2HG2 VAL 21 -0.080 -0.743 -31.600 175 H PHE 22 HN PHE 22 0.038 -5.018 -31.084 176 HA PHE 22 HA PHE 22 -2.174 -6.789 -30.820 177 HB2 PHE 22 2HB PHE 22 -1.893 -7.989 -32.862 178 HB3 PHE 22 3HB PHE 22 -1.605 -6.345 -33.396 179 HD1 PHE 22 HD1 PHE 22 1.204 -6.226 -31.996 180 HD2 PHE 22 HD2 PHE 22 -0.630 -8.955 -34.678 181 HE1 PHE 22 HE1 PHE 22 3.464 -6.900 -32.856 182 HE2 PHE 22 HE2 PHE 22 1.629 -9.630 -35.538 183 HZ PHE 22 HZ PHE 22 3.650 -8.594 -34.616 184 H CYS 23 HN CYS 23 -0.583 -9.172 -31.581 185 HA CYS 23 HA CYS 23 1.751 -8.948 -29.881 186 HB2 CYS 23 2HB CYS 23 -0.673 -9.919 -28.848 187 HB3 CYS 23 3HB CYS 23 0.289 -11.346 -29.176 188 HA PRO 24 HA PRO 24 2.955 -11.616 -33.139 189 HB2 PRO 24 2HB PRO 24 5.549 -12.031 -32.385 190 HB3 PRO 24 3HB PRO 24 5.027 -10.623 -33.288 191 HG2 PRO 24 2HG PRO 24 5.750 -10.827 -30.429 192 HG3 PRO 24 3HG PRO 24 5.642 -9.396 -31.435 193 HD2 PRO 24 2HD PRO 24 3.732 -10.266 -29.480 194 HD3 PRO 24 3HD PRO 24 3.572 -8.901 -30.567 195 H ARG 25 HN ARG 25 4.987 -13.639 -32.795 196 HA ARG 25 HA ARG 25 3.545 -15.372 -30.968 197 HB2 ARG 25 2HB ARG 25 3.939 -15.700 -33.904 198 HB3 ARG 25 3HB ARG 25 4.357 -17.124 -32.971 199 HG2 ARG 25 2HG ARG 25 2.153 -17.286 -32.020 200 HG3 ARG 25 3HG ARG 25 1.732 -15.656 -32.506 201 HD2 ARG 25 2HD ARG 25 2.110 -16.512 -34.961 202 HD3 ARG 25 3HD ARG 25 2.028 -18.119 -34.267 203 HE ARG 25 HE ARG 25 -0.197 -16.262 -34.617 204 HH11 ARG 25 2HH2 ARG 25 0.977 -18.980 -32.716 205 HH12 ARG 25 1HH2 ARG 25 -0.607 -19.506 -32.254 206 HH21 ARG 25 2HH1 ARG 25 -2.287 -16.955 -34.008 207 HH22 ARG 25 1HH1 ARG 25 -2.477 -18.346 -32.994 208 H ARG 26 HN ARG 26 4.895 -17.364 -30.361 209 HA ARG 26 HA ARG 26 6.734 -18.352 -29.772 210 HB2 ARG 26 2HB ARG 26 7.538 -17.093 -32.225 211 HB3 ARG 26 3HB ARG 26 8.846 -16.838 -31.088 212 HG2 ARG 26 2HG ARG 26 9.472 -18.933 -31.838 213 HG3 ARG 26 3HG ARG 26 8.402 -19.444 -30.548 214 HD2 ARG 26 2HD ARG 26 7.388 -20.666 -32.210 215 HD3 ARG 26 3HD ARG 26 6.571 -19.156 -32.563 216 HE ARG 26 HE ARG 26 7.738 -19.072 -34.576 217 HH11 ARG 26 2HH2 ARG 26 9.585 -21.022 -32.302 218 HH12 ARG 26 1HH2 ARG 26 10.812 -21.432 -33.454 219 HH21 ARG 26 2HH1 ARG 26 9.357 -19.613 -36.096 220 HH22 ARG 26 1HH1 ARG 26 10.681 -20.626 -35.626 221 H TYR 27 HN TYR 27 6.128 -15.013 -29.460 222 HA TYR 27 HA TYR 27 8.305 -13.932 -28.227 223 HB2 TYR 27 2HB TYR 27 6.289 -12.811 -26.840 224 HB3 TYR 27 3HB TYR 27 6.397 -12.533 -28.566 225 HD1 TYR 27 HD2 TYR 27 5.388 -15.842 -27.348 226 HD2 TYR 27 HD1 TYR 27 3.994 -12.020 -28.672 227 HE1 TYR 27 HE2 TYR 27 3.050 -16.792 -27.650 228 HE2 TYR 27 HE1 TYR 27 1.660 -12.983 -28.970 229 HH TYR 27 HH TYR 27 0.350 -14.693 -28.521 230 H LYS 28 HN LYS 28 5.690 -14.316 -25.917 231 HA LYS 28 HA LYS 28 6.540 -16.511 -24.493 232 HB2 LYS 28 2HB LYS 28 8.361 -14.282 -24.215 233 HB3 LYS 28 3HB LYS 28 7.600 -14.626 -22.675 234 HG2 LYS 28 2HG LYS 28 8.358 -16.900 -22.671 235 HG3 LYS 28 3HG LYS 28 8.723 -16.875 -24.385 236 HD2 LYS 28 2HD LYS 28 10.690 -15.582 -24.087 237 HD3 LYS 28 3HD LYS 28 10.169 -14.961 -22.533 238 HE2 LYS 28 2HE LYS 28 10.258 -17.535 -21.817 239 HE3 LYS 28 3HE LYS 28 11.329 -17.675 -23.197 240 HZ1 LYS 28 3HZ LYS 28 12.896 -16.457 -22.185 241 HZ2 LYS 28 1HZ LYS 28 11.846 -15.474 -21.411 242 HZ3 LYS 28 2HZ LYS 28 12.158 -16.964 -20.819 243 H GLN 29 HN GLN 29 4.472 -16.903 -23.861 244 HA GLN 29 HA GLN 29 2.636 -14.916 -23.339 245 HB2 GLN 29 2HB GLN 29 1.948 -17.185 -23.898 246 HB3 GLN 29 3HB GLN 29 2.737 -17.835 -22.475 247 HG2 GLN 29 2HG GLN 29 1.092 -17.037 -21.014 248 HG3 GLN 29 3HG GLN 29 0.672 -15.685 -22.047 249 HE21 GLN 29 1HE2 GLN 29 -1.258 -15.817 -22.868 250 HE22 GLN 29 2HE2 GLN 29 -2.095 -17.245 -23.381 251 H ILE 30 HN ILE 30 2.404 -13.532 -21.637 252 HA ILE 30 HA ILE 30 3.342 -14.451 -19.024 253 HB ILE 30 HB ILE 30 4.050 -11.819 -20.325 254 HG12 ILE 30 2HG1 ILE 30 5.373 -13.835 -21.029 255 HG13 ILE 30 3HG1 ILE 30 6.308 -12.548 -20.295 256 HG21 ILE 30 1HG2 ILE 30 3.977 -11.006 -18.243 257 HG22 ILE 30 2HG2 ILE 30 3.880 -12.624 -17.507 258 HG23 ILE 30 3HG2 ILE 30 5.461 -11.952 -17.975 259 HD11 ILE 30 3HD1 ILE 30 6.937 -14.815 -19.430 260 HD12 ILE 30 1HD1 ILE 30 6.354 -13.734 -18.141 261 HD13 ILE 30 2HD1 ILE 30 5.286 -15.001 -18.791 262 H GLY 31 HN GLY 31 0.764 -13.757 -20.815 263 HA2 GLY 31 1HA GLY 31 -1.080 -13.401 -18.916 264 HA3 GLY 31 2HA GLY 31 -0.498 -11.761 -19.123 265 H THR 32 HN THR 32 -3.091 -12.033 -19.729 266 HA THR 32 HA THR 32 -3.113 -11.635 -22.593 267 HB THR 32 HB THR 32 -5.306 -13.301 -22.340 268 HG1 THR 32 HG1 THR 32 -3.032 -14.396 -20.853 269 HG21 THR 32 3HG2 THR 32 -2.409 -14.090 -22.950 270 HG22 THR 32 1HG2 THR 32 -3.815 -15.135 -23.265 271 HG23 THR 32 2HG2 THR 32 -3.640 -13.592 -24.135 272 H CYS 33 HN CYS 33 -4.290 -9.884 -23.052 273 HA CYS 33 HA CYS 33 -6.103 -8.983 -20.949 274 HB2 CYS 33 2HB CYS 33 -5.948 -6.774 -22.092 275 HB3 CYS 33 3HB CYS 33 -4.453 -7.354 -21.384 276 H GLY 34 HN GLY 34 -8.287 -8.371 -21.524 277 HA2 GLY 34 1HA GLY 34 -9.801 -9.911 -23.041 278 HA3 GLY 34 2HA GLY 34 -10.122 -8.197 -22.875 279 H LEU 35 HN LEU 35 -7.958 -7.060 -24.322 280 HA LEU 35 HA LEU 35 -8.849 -6.857 -26.819 281 HB2 LEU 35 2HB LEU 35 -6.199 -6.580 -25.543 282 HB3 LEU 35 3HB LEU 35 -6.187 -6.697 -27.292 283 HG LEU 35 HG LEU 35 -8.219 -4.836 -26.661 284 HD11 LEU 35 1HD1 LEU 35 -7.640 -4.115 -24.610 285 HD12 LEU 35 2HD1 LEU 35 -5.983 -4.754 -24.730 286 HD13 LEU 35 3HD1 LEU 35 -6.396 -3.202 -25.497 287 HD21 LEU 35 3HD2 LEU 35 -5.421 -4.163 -27.581 288 HD22 LEU 35 1HD2 LEU 35 -6.615 -4.970 -28.627 289 HD23 LEU 35 2HD2 LEU 35 -6.952 -3.346 -27.980 290 HA PRO 36 HA PRO 36 -8.381 -10.846 -28.502 291 HB2 PRO 36 2HB PRO 36 -9.542 -10.350 -30.925 292 HB3 PRO 36 3HB PRO 36 -10.459 -10.762 -29.490 293 HG2 PRO 36 2HG PRO 36 -10.148 -8.129 -30.798 294 HG3 PRO 36 3HG PRO 36 -11.365 -8.647 -29.648 295 HD2 PRO 36 2HD PRO 36 -9.093 -6.981 -29.109 296 HD3 PRO 36 3HD PRO 36 -10.245 -7.594 -27.939 297 H GLY 37 HN GLY 37 -6.178 -11.141 -28.565 298 HA2 GLY 37 1HA GLY 37 -4.591 -11.742 -30.278 299 HA3 GLY 37 2HA GLY 37 -5.018 -10.280 -31.146 300 H THR 38 HN THR 38 -5.079 -9.624 -27.800 301 HA THR 38 HA THR 38 -2.290 -8.673 -27.892 302 HB THR 38 HB THR 38 -4.544 -7.326 -26.355 303 HG1 THR 38 HG1 THR 38 -3.645 -7.063 -29.139 304 HG21 THR 38 3HG2 THR 38 -1.907 -6.736 -26.359 305 HG22 THR 38 1HG2 THR 38 -2.345 -5.934 -27.886 306 HG23 THR 38 2HG2 THR 38 -3.138 -5.451 -26.367 307 H LYS 39 HN LYS 39 -1.032 -9.857 -26.604 308 HA LYS 39 HA LYS 39 -2.152 -10.554 -23.986 309 HB2 LYS 39 2HB LYS 39 -0.830 -12.707 -24.168 310 HB3 LYS 39 3HB LYS 39 -2.279 -12.600 -25.147 311 HG2 LYS 39 2HG LYS 39 -0.851 -13.319 -26.807 312 HG3 LYS 39 3HG LYS 39 -0.519 -11.604 -26.951 313 HD2 LYS 39 2HD LYS 39 1.654 -12.438 -26.766 314 HD3 LYS 39 3HD LYS 39 1.311 -12.077 -25.085 315 HE2 LYS 39 2HE LYS 39 0.903 -14.820 -26.372 316 HE3 LYS 39 3HE LYS 39 2.316 -14.369 -25.440 317 HZ1 LYS 39 3HZ LYS 39 -0.447 -14.581 -24.492 318 HZ2 LYS 39 1HZ LYS 39 0.863 -15.406 -23.970 319 HZ3 LYS 39 2HZ LYS 39 0.706 -13.817 -23.624 320 H CYS 40 HN CYS 40 -0.170 -11.312 -22.510 321 HA CYS 40 HA CYS 40 1.624 -9.067 -22.590 322 HB2 CYS 40 2HB CYS 40 0.618 -10.912 -20.590 323 HB3 CYS 40 3HB CYS 40 2.361 -10.757 -20.483 324 H CYS 41 HN CYS 41 2.821 -9.639 -24.559 325 HA CYS 41 HA CYS 41 4.467 -12.037 -24.259 326 HB2 CYS 41 2HB CYS 41 4.956 -11.406 -26.771 327 HB3 CYS 41 3HB CYS 41 3.554 -12.346 -26.302 328 H LYS 42 HN LYS 42 6.743 -11.817 -24.223 329 HA LYS 42 HA LYS 42 7.893 -9.649 -23.139 330 HB2 LYS 42 2HB LYS 42 9.984 -10.582 -23.723 331 HB3 LYS 42 3HB LYS 42 8.887 -11.936 -23.538 332 HG2 LYS 42 2HG LYS 42 9.873 -12.504 -25.569 333 HG3 LYS 42 3HG LYS 42 8.494 -11.595 -26.155 334 HD2 LYS 42 2HD LYS 42 9.957 -10.247 -27.247 335 HD3 LYS 42 3HD LYS 42 10.435 -9.612 -25.685 336 HE2 LYS 42 2HE LYS 42 12.500 -10.502 -25.968 337 HE3 LYS 42 3HE LYS 42 11.799 -12.109 -25.970 338 HZ1 LYS 42 3HZ LYS 42 11.266 -11.074 -28.438 339 HZ2 LYS 42 1HZ LYS 42 12.808 -10.631 -28.134 340 HZ3 LYS 42 2HZ LYS 42 12.384 -12.207 -28.076 341 H LYS 43 HN LYS 43 8.241 -7.567 -23.692 342 HA LYS 43 HA LYS 43 7.548 -6.726 -26.334 343 HB2 LYS 43 2HB LYS 43 7.777 -5.561 -23.723 344 HB3 LYS 43 3HB LYS 43 8.755 -4.623 -24.834 345 HG2 LYS 43 2HG LYS 43 6.706 -3.606 -25.216 346 HG3 LYS 43 3HG LYS 43 6.607 -4.874 -26.422 347 HD2 LYS 43 2HD LYS 43 4.909 -5.945 -25.329 348 HD3 LYS 43 3HD LYS 43 5.693 -5.790 -23.769 349 HE2 LYS 43 2HE LYS 43 4.798 -3.605 -23.395 350 HE3 LYS 43 3HE LYS 43 4.421 -3.367 -25.090 351 HZ1 LYS 43 3HZ LYS 43 2.928 -4.754 -23.084 352 HZ2 LYS 43 1HZ LYS 43 2.409 -4.011 -24.443 353 HZ3 LYS 43 2HZ LYS 43 2.995 -5.534 -24.517 354 HA PRO 44 HA PRO 44 12.204 -5.944 -26.476 355 HB2 PRO 44 2HB PRO 44 13.824 -6.865 -24.477 356 HB3 PRO 44 3HB PRO 44 13.209 -5.225 -24.533 357 HG2 PRO 44 2HG PRO 44 12.349 -7.468 -22.810 358 HG3 PRO 44 3HG PRO 44 12.062 -5.751 -22.603 359 HD2 PRO 44 2HD PRO 44 10.182 -7.705 -23.539 360 HD3 PRO 44 3HD PRO 44 9.933 -5.973 -23.441 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -2.854 -2.507 -1.244 2 HA2 GLY 1 1HA GLY 1 -5.340 -1.214 -1.273 3 HA3 GLY 1 2HA GLY 1 -4.102 -0.011 -1.577 4 H ILE 2 HN ILE 2 -2.285 -0.852 -3.220 5 HA ILE 2 HA ILE 2 -3.677 -2.279 -5.377 6 HB ILE 2 HB ILE 2 -2.301 -0.780 -6.907 7 HG12 ILE 2 2HG1 ILE 2 -0.928 0.069 -4.873 8 HG13 ILE 2 3HG1 ILE 2 -1.352 1.186 -6.155 9 HG21 ILE 2 1HG2 ILE 2 -4.778 -0.146 -5.410 10 HG22 ILE 2 2HG2 ILE 2 -4.033 1.197 -6.309 11 HG23 ILE 2 3HG2 ILE 2 -4.491 -0.297 -7.160 12 HD11 ILE 2 3HD1 ILE 2 -3.402 0.964 -4.011 13 HD12 ILE 2 1HD1 ILE 2 -1.839 1.634 -3.484 14 HD13 ILE 2 2HD1 ILE 2 -2.740 2.412 -4.808 15 H ILE 3 HN ILE 3 -2.523 -3.889 -6.408 16 HA ILE 3 HA ILE 3 0.287 -4.151 -5.617 17 HB ILE 3 HB ILE 3 -1.487 -6.552 -5.846 18 HG12 ILE 3 2HG1 ILE 3 -1.485 -6.328 -3.212 19 HG13 ILE 3 3HG1 ILE 3 -1.366 -4.615 -3.561 20 HG21 ILE 3 1HG2 ILE 3 1.271 -6.003 -5.199 21 HG22 ILE 3 2HG2 ILE 3 0.466 -6.837 -3.848 22 HG23 ILE 3 3HG2 ILE 3 0.454 -7.560 -5.474 23 HD11 ILE 3 3HD1 ILE 3 -3.485 -4.501 -4.475 24 HD12 ILE 3 1HD1 ILE 3 -3.397 -6.147 -5.146 25 HD13 ILE 3 2HD1 ILE 3 -3.739 -5.909 -3.416 26 H ASN 4 HN ASN 4 1.657 -5.109 -7.201 27 HA ASN 4 HA ASN 4 0.364 -5.676 -9.730 28 HB2 ASN 4 2HB ASN 4 1.769 -3.254 -9.207 29 HB3 ASN 4 3HB ASN 4 2.899 -4.236 -10.119 30 HD21 ASN 4 1HD2 ASN 4 1.016 -1.833 -10.602 31 HD22 ASN 4 2HD2 ASN 4 0.264 -2.174 -12.124 32 H THR 5 HN THR 5 1.026 -7.835 -9.943 33 HA THR 5 HA THR 5 3.906 -8.355 -9.641 34 HB THR 5 HB THR 5 3.187 -10.601 -8.671 35 HG1 THR 5 HG1 THR 5 0.953 -10.841 -8.361 36 HG21 THR 5 3HG2 THR 5 1.766 -9.007 -6.732 37 HG22 THR 5 1HG2 THR 5 3.436 -9.613 -6.628 38 HG23 THR 5 2HG2 THR 5 3.110 -8.023 -7.358 39 H LEU 6 HN LEU 6 0.797 -9.742 -10.904 40 HA LEU 6 HA LEU 6 1.331 -9.693 -13.517 41 HB2 LEU 6 2HB LEU 6 3.314 -10.763 -13.648 42 HB3 LEU 6 3HB LEU 6 3.042 -11.713 -12.201 43 HG LEU 6 HG LEU 6 1.339 -13.046 -13.611 44 HD11 LEU 6 1HD1 LEU 6 1.910 -11.103 -15.503 45 HD12 LEU 6 2HD1 LEU 6 2.829 -12.521 -16.062 46 HD13 LEU 6 3HD1 LEU 6 1.075 -12.649 -15.787 47 HD21 LEU 6 3HD2 LEU 6 3.449 -14.183 -14.818 48 HD22 LEU 6 1HD2 LEU 6 4.306 -13.159 -13.641 49 HD23 LEU 6 2HD2 LEU 6 3.110 -14.351 -13.079 50 H GLN 7 HN GLN 7 -0.059 -11.204 -14.784 51 HA GLN 7 HA GLN 7 -1.584 -13.148 -13.599 52 HB2 GLN 7 2HB GLN 7 -2.573 -11.393 -12.199 53 HB3 GLN 7 3HB GLN 7 -2.941 -10.418 -13.608 54 HG2 GLN 7 2HG GLN 7 -4.935 -11.475 -13.798 55 HG3 GLN 7 3HG GLN 7 -4.093 -12.978 -14.118 56 HE21 GLN 7 1HE2 GLN 7 -6.523 -12.035 -12.485 57 HE22 GLN 7 2HE2 GLN 7 -6.364 -12.838 -10.959 58 H LYS 8 HN LYS 8 -3.097 -10.491 -15.488 59 HA LYS 8 HA LYS 8 -2.387 -11.481 -18.016 60 HB2 LYS 8 2HB LYS 8 -4.739 -12.317 -18.607 61 HB3 LYS 8 3HB LYS 8 -3.680 -13.397 -17.723 62 HG2 LYS 8 2HG LYS 8 -5.040 -11.844 -15.748 63 HG3 LYS 8 3HG LYS 8 -6.259 -12.303 -16.920 64 HD2 LYS 8 2HD LYS 8 -5.779 -14.657 -16.651 65 HD3 LYS 8 3HD LYS 8 -4.291 -14.332 -15.785 66 HE2 LYS 8 2HE LYS 8 -5.477 -14.494 -13.854 67 HE3 LYS 8 3HE LYS 8 -6.249 -12.978 -14.275 68 HZ1 LYS 8 3HZ LYS 8 -7.533 -15.280 -13.982 69 HZ2 LYS 8 1HZ LYS 8 -8.104 -14.029 -14.863 70 HZ3 LYS 8 2HZ LYS 8 -7.338 -15.267 -15.603 71 H TYR 9 HN TYR 9 -5.692 -10.470 -17.026 72 HA TYR 9 HA TYR 9 -6.024 -8.482 -18.798 73 HB2 TYR 9 2HB TYR 9 -7.711 -7.704 -17.176 74 HB3 TYR 9 3HB TYR 9 -7.581 -9.439 -16.967 75 HD1 TYR 9 HD1 TYR 9 -5.162 -9.745 -15.329 76 HD2 TYR 9 HD2 TYR 9 -8.266 -6.810 -15.097 77 HE1 TYR 9 HE1 TYR 9 -4.666 -9.405 -12.859 78 HE2 TYR 9 HE2 TYR 9 -7.759 -6.480 -12.628 79 HH TYR 9 HH TYR 9 -4.981 -7.446 -11.215 80 H TYR 10 HN TYR 10 -3.901 -8.435 -15.971 81 HA TYR 10 HA TYR 10 -3.074 -5.741 -16.757 82 HB2 TYR 10 2HB TYR 10 -3.526 -4.935 -14.589 83 HB3 TYR 10 3HB TYR 10 -4.723 -6.214 -14.605 84 HD1 TYR 10 HD1 TYR 10 -2.791 -8.577 -14.360 85 HD2 TYR 10 HD2 TYR 10 -3.051 -4.857 -12.262 86 HE1 TYR 10 HE1 TYR 10 -1.681 -9.635 -12.332 87 HE2 TYR 10 HE2 TYR 10 -1.940 -5.928 -10.241 88 HH TYR 10 HH TYR 10 -1.318 -9.379 -10.144 89 H CYS 11 HN CYS 11 -2.169 -8.783 -16.804 90 HA CYS 11 HA CYS 11 -0.150 -9.352 -15.183 91 HB2 CYS 11 2HB CYS 11 0.260 -10.953 -16.653 92 HB3 CYS 11 3HB CYS 11 -0.993 -10.243 -17.652 93 H ARG 12 HN ARG 12 2.214 -8.951 -15.200 94 HA ARG 12 HA ARG 12 4.048 -7.818 -15.615 95 HB2 ARG 12 2HB ARG 12 2.726 -7.149 -17.909 96 HB3 ARG 12 3HB ARG 12 2.775 -5.569 -17.154 97 HG2 ARG 12 2HG ARG 12 4.794 -5.595 -18.363 98 HG3 ARG 12 3HG ARG 12 5.323 -6.068 -16.761 99 HD2 ARG 12 2HD ARG 12 4.678 -8.532 -17.820 100 HD3 ARG 12 3HD ARG 12 5.192 -7.687 -19.267 101 HE ARG 12 HE ARG 12 7.108 -7.138 -17.232 102 HH11 ARG 12 2HH2 ARG 12 5.959 -9.868 -19.132 103 HH12 ARG 12 1HH2 ARG 12 7.469 -10.714 -19.065 104 HH21 ARG 12 2HH1 ARG 12 9.100 -8.253 -17.144 105 HH22 ARG 12 1HH1 ARG 12 9.268 -9.789 -17.927 106 H VAL 13 HN VAL 13 4.143 -4.799 -15.860 107 HA VAL 13 HA VAL 13 3.153 -4.206 -13.161 108 HB VAL 13 HB VAL 13 4.923 -2.293 -13.511 109 HG11 VAL 13 1HG1 VAL 13 5.253 -5.138 -12.653 110 HG12 VAL 13 2HG1 VAL 13 6.713 -4.127 -12.776 111 HG13 VAL 13 3HG1 VAL 13 5.375 -3.634 -11.710 112 HG21 VAL 13 3HG2 VAL 13 6.297 -4.408 -15.151 113 HG22 VAL 13 1HG2 VAL 13 5.259 -3.198 -15.943 114 HG23 VAL 13 2HG2 VAL 13 6.669 -2.675 -14.991 115 H ARG 14 HN ARG 14 4.283 -1.641 -15.266 116 HA ARG 14 HA ARG 14 1.498 -0.861 -15.603 117 HB2 ARG 14 2HB ARG 14 3.862 0.590 -14.601 118 HB3 ARG 14 3HB ARG 14 3.085 1.459 -15.909 119 HG2 ARG 14 2HG ARG 14 1.073 1.733 -14.729 120 HG3 ARG 14 3HG ARG 14 1.326 0.304 -13.746 121 HD2 ARG 14 2HD ARG 14 1.607 2.488 -12.484 122 HD3 ARG 14 3HD ARG 14 2.995 1.424 -12.381 123 HE ARG 14 HE ARG 14 3.148 3.320 -14.614 124 HH11 ARG 14 2HH2 ARG 14 3.839 2.814 -11.201 125 HH12 ARG 14 1HH2 ARG 14 5.074 4.028 -11.140 126 HH21 ARG 14 2HH1 ARG 14 4.776 4.921 -14.534 127 HH22 ARG 14 1HH1 ARG 14 5.610 5.235 -13.049 128 H GLY 15 HN GLY 15 1.346 0.885 -17.531 129 HA2 GLY 15 1HA GLY 15 1.845 1.503 -19.673 130 HA3 GLY 15 2HA GLY 15 3.255 0.463 -19.664 131 H ALA 16 HN ALA 16 2.171 0.137 -21.958 132 HA ALA 16 HA ALA 16 -0.151 -1.459 -22.088 133 HB1 ALA 16 1HB ALA 16 0.630 -0.052 -23.941 134 HB2 ALA 16 2HB ALA 16 2.123 -1.013 -24.064 135 HB3 ALA 16 3HB ALA 16 0.552 -1.755 -24.452 136 H ILE 17 HN ILE 17 0.279 -3.088 -20.419 137 HA ILE 17 HA ILE 17 2.441 -4.753 -20.336 138 HB ILE 17 HB ILE 17 1.105 -6.221 -19.067 139 HG12 ILE 17 2HG1 ILE 17 -1.299 -4.994 -20.444 140 HG13 ILE 17 3HG1 ILE 17 -0.707 -6.634 -20.614 141 HG21 ILE 17 1HG2 ILE 17 1.057 -3.405 -18.664 142 HG22 ILE 17 2HG2 ILE 17 -0.516 -4.059 -18.148 143 HG23 ILE 17 3HG2 ILE 17 0.989 -4.707 -17.453 144 HD11 ILE 17 3HD1 ILE 17 -2.626 -5.768 -18.774 145 HD12 ILE 17 1HD1 ILE 17 -1.753 -7.317 -18.714 146 HD13 ILE 17 2HD1 ILE 17 -1.150 -5.920 -17.792 147 H CYS 18 HN CYS 18 -0.612 -5.192 -22.247 148 HA CYS 18 HA CYS 18 0.627 -7.417 -23.612 149 HB2 CYS 18 2HB CYS 18 -1.537 -7.727 -24.669 150 HB3 CYS 18 3HB CYS 18 -1.679 -7.654 -22.924 151 H HIS 19 HN HIS 19 0.743 -7.423 -26.031 152 HA HIS 19 HA HIS 19 1.961 -5.115 -26.989 153 HB2 HIS 19 2HB HIS 19 2.412 -7.386 -27.810 154 HB3 HIS 19 3HB HIS 19 0.803 -7.475 -28.499 155 HD1 HIS 19 HD1 HIS 19 0.520 -4.873 -30.020 156 HD2 HIS 19 HD2 HIS 19 4.094 -7.068 -29.931 157 HE1 HIS 19 HE1 HIS 19 1.839 -4.175 -32.089 158 HE2 HIS 19 HE2 HIS 19 4.048 -5.516 -31.951 159 HA PRO 20 HA PRO 20 -1.500 -2.783 -28.171 160 HB2 PRO 20 2HB PRO 20 -0.241 -0.831 -29.612 161 HB3 PRO 20 3HB PRO 20 -0.355 -0.809 -27.863 162 HG2 PRO 20 2HG PRO 20 1.977 -1.458 -29.561 163 HG3 PRO 20 3HG PRO 20 1.942 -1.018 -27.865 164 HD2 PRO 20 2HD PRO 20 2.302 -3.649 -28.949 165 HD3 PRO 20 3HD PRO 20 2.151 -3.225 -27.255 166 H VAL 21 HN VAL 21 -3.048 -2.561 -29.763 167 HA VAL 21 HA VAL 21 -3.926 -2.813 -31.789 168 HB VAL 21 HB VAL 21 -1.223 -3.498 -32.923 169 HG11 VAL 21 1HG1 VAL 21 -3.812 -2.387 -34.001 170 HG12 VAL 21 2HG1 VAL 21 -2.273 -2.118 -34.854 171 HG13 VAL 21 3HG1 VAL 21 -2.856 -3.776 -34.572 172 HG21 VAL 21 3HG2 VAL 21 -2.121 -0.944 -31.737 173 HG22 VAL 21 1HG2 VAL 21 -0.479 -1.543 -32.074 174 HG23 VAL 21 2HG2 VAL 21 -1.446 -0.814 -33.379 175 H PHE 22 HN PHE 22 -1.206 -5.189 -31.355 176 HA PHE 22 HA PHE 22 -3.083 -7.309 -31.035 177 HB2 PHE 22 2HB PHE 22 -2.721 -8.387 -33.135 178 HB3 PHE 22 3HB PHE 22 -2.757 -6.702 -33.616 179 HD1 PHE 22 HD1 PHE 22 0.077 -6.156 -32.351 180 HD2 PHE 22 HD2 PHE 22 -1.432 -9.036 -35.078 181 HE1 PHE 22 HE1 PHE 22 2.362 -6.395 -33.363 182 HE2 PHE 22 HE2 PHE 22 0.852 -9.275 -36.090 183 HZ PHE 22 HZ PHE 22 2.722 -7.952 -35.221 184 H CYS 23 HN CYS 23 -1.399 -9.486 -31.676 185 HA CYS 23 HA CYS 23 1.013 -8.899 -30.132 186 HB2 CYS 23 2HB CYS 23 -0.871 -9.977 -28.774 187 HB3 CYS 23 3HB CYS 23 -0.594 -11.419 -29.731 188 HA PRO 24 HA PRO 24 2.691 -11.088 -33.524 189 HB2 PRO 24 2HB PRO 24 5.284 -11.276 -32.680 190 HB3 PRO 24 3HB PRO 24 4.630 -9.847 -33.457 191 HG2 PRO 24 2HG PRO 24 5.256 -10.282 -30.600 192 HG3 PRO 24 3HG PRO 24 5.015 -8.771 -31.454 193 HD2 PRO 24 2HD PRO 24 3.149 -10.072 -29.707 194 HD3 PRO 24 3HD PRO 24 2.866 -8.623 -30.650 195 H ARG 25 HN ARG 25 4.972 -12.871 -33.233 196 HA ARG 25 HA ARG 25 3.633 -14.968 -31.736 197 HB2 ARG 25 2HB ARG 25 4.272 -14.888 -34.632 198 HB3 ARG 25 3HB ARG 25 4.892 -16.324 -33.842 199 HG2 ARG 25 2HG ARG 25 2.801 -17.197 -33.499 200 HG3 ARG 25 3HG ARG 25 2.127 -15.653 -33.016 201 HD2 ARG 25 2HD ARG 25 1.050 -16.317 -35.098 202 HD3 ARG 25 3HD ARG 25 2.088 -14.950 -35.447 203 HE ARG 25 HE ARG 25 3.710 -17.189 -35.876 204 HH11 ARG 25 2HH2 ARG 25 0.644 -16.023 -37.151 205 HH12 ARG 25 1HH2 ARG 25 0.856 -16.773 -38.698 206 HH21 ARG 25 2HH1 ARG 25 3.990 -18.179 -37.917 207 HH22 ARG 25 1HH1 ARG 25 2.772 -18.008 -39.137 208 H ARG 26 HN ARG 26 5.205 -16.863 -31.269 209 HA ARG 26 HA ARG 26 7.078 -17.642 -30.523 210 HB2 ARG 26 2HB ARG 26 7.991 -15.892 -32.718 211 HB3 ARG 26 3HB ARG 26 9.209 -16.045 -31.467 212 HG2 ARG 26 2HG ARG 26 7.804 -18.393 -32.827 213 HG3 ARG 26 3HG ARG 26 9.408 -17.818 -33.232 214 HD2 ARG 26 2HD ARG 26 10.370 -18.792 -31.383 215 HD3 ARG 26 3HD ARG 26 9.038 -18.354 -30.332 216 HE ARG 26 HE ARG 26 7.955 -20.312 -31.986 217 HH11 ARG 26 2HH2 ARG 26 10.752 -20.143 -29.858 218 HH12 ARG 26 1HH2 ARG 26 10.734 -21.835 -29.489 219 HH21 ARG 26 2HH1 ARG 26 7.929 -22.545 -31.498 220 HH22 ARG 26 1HH1 ARG 26 9.117 -23.210 -30.428 221 H TYR 27 HN TYR 27 5.926 -14.564 -29.908 222 HA TYR 27 HA TYR 27 7.914 -13.281 -28.481 223 HB2 TYR 27 2HB TYR 27 5.685 -12.501 -27.203 224 HB3 TYR 27 3HB TYR 27 5.875 -12.098 -28.898 225 HD1 TYR 27 HD2 TYR 27 5.192 -15.574 -27.938 226 HD2 TYR 27 HD1 TYR 27 3.444 -11.867 -29.167 227 HE1 TYR 27 HE2 TYR 27 3.012 -16.770 -28.470 228 HE2 TYR 27 HE1 TYR 27 1.270 -13.075 -29.695 229 HH TYR 27 HH TYR 27 0.207 -14.950 -29.683 230 H LYS 28 HN LYS 28 5.213 -14.095 -26.412 231 HA LYS 28 HA LYS 28 6.030 -16.312 -25.089 232 HB2 LYS 28 2HB LYS 28 8.120 -15.686 -24.421 233 HB3 LYS 28 3HB LYS 28 7.742 -13.975 -24.412 234 HG2 LYS 28 2HG LYS 28 6.831 -14.034 -22.259 235 HG3 LYS 28 3HG LYS 28 6.322 -15.706 -22.398 236 HD2 LYS 28 2HD LYS 28 8.162 -15.751 -20.873 237 HD3 LYS 28 3HD LYS 28 8.817 -16.346 -22.385 238 HE2 LYS 28 2HE LYS 28 8.963 -13.381 -22.011 239 HE3 LYS 28 3HE LYS 28 9.954 -14.323 -20.915 240 HZ1 LYS 28 3HZ LYS 28 10.305 -13.873 -23.677 241 HZ2 LYS 28 1HZ LYS 28 11.368 -14.458 -22.584 242 HZ3 LYS 28 2HZ LYS 28 10.335 -15.471 -23.342 243 H GLN 29 HN GLN 29 3.988 -16.719 -24.417 244 HA GLN 29 HA GLN 29 2.244 -14.643 -23.719 245 HB2 GLN 29 2HB GLN 29 1.840 -17.142 -24.567 246 HB3 GLN 29 3HB GLN 29 1.765 -17.493 -22.852 247 HG2 GLN 29 2HG GLN 29 0.205 -15.091 -23.542 248 HG3 GLN 29 3HG GLN 29 -0.331 -16.493 -24.446 249 HE21 GLN 29 1HE2 GLN 29 -1.867 -15.190 -22.525 250 HE22 GLN 29 2HE2 GLN 29 -2.153 -16.245 -21.182 251 H ILE 30 HN ILE 30 1.981 -13.583 -21.795 252 HA ILE 30 HA ILE 30 2.715 -14.980 -19.353 253 HB ILE 30 HB ILE 30 4.042 -13.091 -18.556 254 HG12 ILE 30 2HG1 ILE 30 3.183 -11.902 -21.119 255 HG13 ILE 30 3HG1 ILE 30 3.579 -11.138 -19.592 256 HG21 ILE 30 1HG2 ILE 30 6.060 -13.620 -19.724 257 HG22 ILE 30 2HG2 ILE 30 5.070 -15.097 -19.640 258 HG23 ILE 30 3HG2 ILE 30 5.156 -14.168 -21.156 259 HD11 ILE 30 3HD1 ILE 30 6.035 -11.648 -20.065 260 HD12 ILE 30 1HD1 ILE 30 5.534 -12.168 -21.692 261 HD13 ILE 30 2HD1 ILE 30 5.282 -10.482 -21.179 262 H GLY 31 HN GLY 31 0.296 -13.866 -20.979 263 HA2 GLY 31 1HA GLY 31 -1.568 -13.451 -19.218 264 HA3 GLY 31 2HA GLY 31 -0.724 -11.927 -19.024 265 H THR 32 HN THR 32 -2.669 -10.816 -19.792 266 HA THR 32 HA THR 32 -2.554 -10.156 -22.502 267 HB THR 32 HB THR 32 -3.557 -12.573 -22.541 268 HG1 THR 32 HG1 THR 32 -5.205 -11.620 -24.117 269 HG21 THR 32 3HG2 THR 32 -5.660 -12.938 -21.688 270 HG22 THR 32 1HG2 THR 32 -5.359 -11.497 -20.689 271 HG23 THR 32 2HG2 THR 32 -6.236 -11.344 -22.230 272 H CYS 33 HN CYS 33 -3.728 -8.300 -22.947 273 HA CYS 33 HA CYS 33 -5.592 -7.459 -20.875 274 HB2 CYS 33 2HB CYS 33 -4.554 -5.491 -20.352 275 HB3 CYS 33 3HB CYS 33 -3.183 -6.570 -20.516 276 H GLY 34 HN GLY 34 -5.970 -4.818 -21.993 277 HA2 GLY 34 1HA GLY 34 -7.288 -3.852 -23.545 278 HA3 GLY 34 2HA GLY 34 -6.161 -4.541 -24.697 279 H LEU 35 HN LEU 35 -6.762 -6.306 -25.983 280 HA LEU 35 HA LEU 35 -9.437 -7.388 -25.434 281 HB2 LEU 35 2HB LEU 35 -8.637 -7.331 -28.244 282 HB3 LEU 35 3HB LEU 35 -10.170 -6.940 -27.489 283 HG LEU 35 HG LEU 35 -9.437 -4.967 -28.548 284 HD11 LEU 35 1HD1 LEU 35 -8.428 -3.978 -26.018 285 HD12 LEU 35 2HD1 LEU 35 -9.969 -3.645 -26.844 286 HD13 LEU 35 3HD1 LEU 35 -9.818 -5.064 -25.780 287 HD21 LEU 35 3HD2 LEU 35 -6.883 -4.512 -27.214 288 HD22 LEU 35 1HD2 LEU 35 -6.877 -5.973 -28.230 289 HD23 LEU 35 2HD2 LEU 35 -7.318 -4.400 -28.936 290 HA PRO 36 HA PRO 36 -7.739 -11.308 -26.166 291 HB2 PRO 36 2HB PRO 36 -9.290 -12.574 -28.026 292 HB3 PRO 36 3HB PRO 36 -9.767 -12.383 -26.350 293 HG2 PRO 36 2HG PRO 36 -10.747 -10.933 -28.733 294 HG3 PRO 36 3HG PRO 36 -11.485 -11.068 -27.149 295 HD2 PRO 36 2HD PRO 36 -10.068 -8.804 -28.196 296 HD3 PRO 36 3HD PRO 36 -10.705 -8.983 -26.573 297 H GLY 37 HN GLY 37 -7.320 -9.044 -28.420 298 HA2 GLY 37 1HA GLY 37 -5.808 -10.831 -30.212 299 HA3 GLY 37 2HA GLY 37 -6.377 -9.217 -30.588 300 H THR 38 HN THR 38 -5.393 -8.925 -27.435 301 HA THR 38 HA THR 38 -2.574 -8.487 -28.142 302 HB THR 38 HB THR 38 -2.931 -6.349 -26.617 303 HG1 THR 38 HG1 THR 38 -5.272 -5.686 -27.072 304 HG21 THR 38 3HG2 THR 38 -4.416 -6.212 -29.267 305 HG22 THR 38 1HG2 THR 38 -3.354 -4.992 -28.524 306 HG23 THR 38 2HG2 THR 38 -2.654 -6.460 -29.248 307 H LYS 39 HN LYS 39 -1.746 -10.231 -27.056 308 HA LYS 39 HA LYS 39 -2.527 -10.469 -24.244 309 HB2 LYS 39 2HB LYS 39 -1.728 -12.724 -24.344 310 HB3 LYS 39 3HB LYS 39 -2.790 -12.459 -25.712 311 HG2 LYS 39 2HG LYS 39 -0.882 -13.613 -26.596 312 HG3 LYS 39 3HG LYS 39 -0.703 -11.948 -27.112 313 HD2 LYS 39 2HD LYS 39 1.107 -11.550 -25.712 314 HD3 LYS 39 3HD LYS 39 0.528 -12.641 -24.468 315 HE2 LYS 39 2HE LYS 39 1.937 -13.367 -27.069 316 HE3 LYS 39 3HE LYS 39 2.481 -13.681 -25.433 317 HZ1 LYS 39 3HZ LYS 39 1.525 -15.640 -25.751 318 HZ2 LYS 39 1HZ LYS 39 0.096 -14.890 -25.499 319 HZ3 LYS 39 2HZ LYS 39 0.627 -15.146 -27.022 320 H CYS 40 HN CYS 40 -0.564 -11.275 -22.819 321 HA CYS 40 HA CYS 40 1.341 -9.165 -22.974 322 HB2 CYS 40 2HB CYS 40 1.158 -11.523 -21.088 323 HB3 CYS 40 3HB CYS 40 2.258 -10.170 -20.913 324 H CYS 41 HN CYS 41 2.772 -9.385 -24.711 325 HA CYS 41 HA CYS 41 4.178 -11.954 -24.849 326 HB2 CYS 41 2HB CYS 41 4.617 -10.829 -27.293 327 HB3 CYS 41 3HB CYS 41 3.425 -12.063 -26.935 328 H LYS 42 HN LYS 42 6.514 -11.750 -25.440 329 HA LYS 42 HA LYS 42 8.518 -10.921 -24.994 330 HB2 LYS 42 2HB LYS 42 7.378 -8.338 -26.099 331 HB3 LYS 42 3HB LYS 42 9.067 -8.800 -26.041 332 HG2 LYS 42 2HG LYS 42 7.072 -10.606 -27.438 333 HG3 LYS 42 3HG LYS 42 7.669 -9.179 -28.261 334 HD2 LYS 42 2HD LYS 42 9.418 -11.391 -27.082 335 HD3 LYS 42 3HD LYS 42 9.039 -11.203 -28.782 336 HE2 LYS 42 2HE LYS 42 10.012 -8.744 -28.426 337 HE3 LYS 42 3HE LYS 42 10.789 -9.463 -27.029 338 HZ1 LYS 42 3HZ LYS 42 11.021 -10.421 -29.797 339 HZ2 LYS 42 1HZ LYS 42 12.177 -9.640 -28.948 340 HZ3 LYS 42 2HZ LYS 42 11.711 -11.141 -28.504 341 H LYS 43 HN LYS 43 9.337 -8.248 -24.188 342 HA LYS 43 HA LYS 43 9.330 -6.843 -22.445 343 HB2 LYS 43 2HB LYS 43 6.755 -7.284 -22.439 344 HB3 LYS 43 3HB LYS 43 7.095 -8.313 -21.063 345 HG2 LYS 43 2HG LYS 43 7.013 -6.428 -19.793 346 HG3 LYS 43 3HG LYS 43 8.575 -6.019 -20.473 347 HD2 LYS 43 2HD LYS 43 7.080 -5.071 -22.491 348 HD3 LYS 43 3HD LYS 43 5.840 -5.004 -21.254 349 HE2 LYS 43 2HE LYS 43 7.844 -3.852 -19.844 350 HE3 LYS 43 3HE LYS 43 8.413 -3.452 -21.452 351 HZ1 LYS 43 3HZ LYS 43 7.010 -1.756 -21.181 352 HZ2 LYS 43 1HZ LYS 43 5.862 -2.815 -21.657 353 HZ3 LYS 43 2HZ LYS 43 6.083 -2.509 -20.068 354 HA PRO 44 HA PRO 44 11.752 -10.069 -20.487 355 HB2 PRO 44 2HB PRO 44 14.191 -8.870 -20.776 356 HB3 PRO 44 3HB PRO 44 13.544 -10.017 -21.932 357 HG2 PRO 44 2HG PRO 44 13.759 -7.077 -22.160 358 HG3 PRO 44 3HG PRO 44 13.523 -8.262 -23.430 359 HD2 PRO 44 2HD PRO 44 11.529 -6.537 -22.301 360 HD3 PRO 44 3HD PRO 44 11.271 -7.802 -23.486
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