NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11188 | 1r48 | 5972 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 1 HT1 CYS 1 14.283 24.391 -2.831 2 HA CYS 1 HA CYS 1 12.347 25.337 -2.126 3 1HB CYS 1 HB2 CYS 1 12.484 24.759 -5.060 4 2HB CYS 1 HB1 CYS 1 11.102 25.652 -4.433 5 HG CYS 1 HG CYS 1 12.510 27.653 -4.126 6 H GLY 2 HN GLY 2 9.887 25.448 -2.473 7 1HA GLY 2 HA2 GLY 2 7.813 24.329 -2.716 8 2HA GLY 2 HA1 GLY 2 8.670 22.794 -2.714 9 H GLY 3 HN GLY 3 10.251 23.371 -0.363 10 1HA GLY 3 HA2 GLY 3 10.119 23.346 1.941 11 2HA GLY 3 HA1 GLY 3 8.489 23.987 1.809 12 H ASP 4 HN ASP 4 6.767 22.444 1.258 13 HA ASP 4 HA ASP 4 7.391 19.668 1.975 14 1HB ASP 4 HB2 ASP 4 5.161 21.302 3.183 15 2HB ASP 4 HB1 ASP 4 5.426 19.582 3.449 16 H ASN 5 HN ASN 5 6.399 21.419 -0.409 17 HA ASN 5 HA ASN 5 3.826 20.733 -1.148 18 1HB ASN 5 HB2 ASN 5 5.376 22.295 -2.381 19 2HB ASN 5 HB1 ASN 5 6.176 20.875 -3.048 20 1HD2 ASN 5 HD21 ASN 5 2.784 21.773 -2.514 21 2HD2 ASN 5 HD22 ASN 5 2.277 21.490 -4.141 22 H ILE 6 HN ILE 6 6.716 18.844 -1.073 23 HA ILE 6 HA ILE 6 5.633 16.648 -2.605 24 HB ILE 6 HB ILE 6 8.112 16.663 -0.893 25 1HG1 ILE 6 HG12 ILE 6 7.940 17.322 -3.840 26 2HG1 ILE 6 HG11 ILE 6 8.069 18.538 -2.573 27 1HG2 ILE 6 HG21 ILE 6 8.843 14.856 -2.300 28 2HG2 ILE 6 HG22 ILE 6 7.415 15.024 -3.321 29 3HG2 ILE 6 HG23 ILE 6 7.245 14.478 -1.654 30 1HD1 ILE 6 HD11 ILE 6 10.148 17.297 -3.904 31 2HD1 ILE 6 HD12 ILE 6 10.119 16.521 -2.320 32 3HD1 ILE 6 HD13 ILE 6 10.264 18.275 -2.441 33 H GLU 7 HN GLU 7 6.444 17.369 0.754 34 HA GLU 7 HA GLU 7 5.820 14.935 1.931 35 1HB GLU 7 HB2 GLU 7 6.813 17.142 2.931 36 2HB GLU 7 HB1 GLU 7 5.135 17.504 3.309 37 1HG GLU 7 HG2 GLU 7 4.958 15.503 4.640 38 2HG GLU 7 HG1 GLU 7 6.590 15.018 4.182 39 H GLN 8 HN GLN 8 3.740 17.436 0.719 40 HA GLN 8 HA GLN 8 1.371 16.499 2.039 41 1HB GLN 8 HB2 GLN 8 1.875 18.869 1.119 42 2HB GLN 8 HB1 GLN 8 1.395 18.203 -0.436 43 1HG GLN 8 HG2 GLN 8 -0.780 18.204 0.090 44 2HG GLN 8 HG1 GLN 8 -0.485 17.667 1.743 45 1HE2 GLN 8 HE21 GLN 8 -2.377 19.402 1.636 46 2HE2 GLN 8 HE22 GLN 8 -1.877 20.993 2.088 47 H LYS 9 HN LYS 9 2.808 16.186 -1.162 48 HA LYS 9 HA LYS 9 0.709 14.774 -2.383 49 1HB LYS 9 HB2 LYS 9 3.478 15.438 -2.995 50 2HB LYS 9 HB1 LYS 9 3.029 13.849 -3.599 51 1HG LYS 9 HG2 LYS 9 1.314 14.731 -4.946 52 2HG LYS 9 HG1 LYS 9 1.368 16.293 -4.126 53 1HD LYS 9 HD2 LYS 9 2.568 16.843 -5.977 54 2HD LYS 9 HD1 LYS 9 3.887 16.205 -4.993 55 1HE LYS 9 HE2 LYS 9 4.277 15.001 -6.874 56 2HE LYS 9 HE1 LYS 9 3.087 13.931 -6.134 57 1HZ LYS 9 HZ1 LYS 9 2.299 14.172 -8.270 58 2HZ LYS 9 HZ2 LYS 9 2.751 15.797 -8.386 59 3HZ LYS 9 HZ3 LYS 9 1.412 15.358 -7.452 60 H ILE 10 HN ILE 10 3.486 13.706 -0.491 61 HA ILE 10 HA ILE 10 3.055 10.928 -0.946 62 HB ILE 10 HB ILE 10 4.490 10.611 1.086 63 1HG1 ILE 10 HG12 ILE 10 4.904 13.595 0.889 64 2HG1 ILE 10 HG11 ILE 10 3.917 12.818 2.123 65 1HG2 ILE 10 HG21 ILE 10 5.141 11.138 -1.481 66 2HG2 ILE 10 HG22 ILE 10 6.304 10.683 -0.237 67 3HG2 ILE 10 HG23 ILE 10 6.067 12.383 -0.643 68 1HD1 ILE 10 HD11 ILE 10 6.058 13.293 3.048 69 2HD1 ILE 10 HD12 ILE 10 6.872 12.501 1.699 70 3HD1 ILE 10 HD13 ILE 10 5.922 11.547 2.838 71 H ASP 11 HN ASP 11 2.146 13.151 1.680 72 HA ASP 11 HA ASP 11 1.092 11.361 3.493 73 1HB ASP 11 HB2 ASP 11 1.168 14.063 3.350 74 2HB ASP 11 HB1 ASP 11 -0.541 13.790 3.021 75 H ASP 12 HN ASP 12 -0.211 12.506 0.474 76 HA ASP 12 HA ASP 12 -2.841 11.468 0.784 77 1HB ASP 12 HB2 ASP 12 -1.383 12.889 -1.213 78 2HB ASP 12 HB1 ASP 12 -2.065 11.455 -1.974 79 H ILE 13 HN ILE 13 0.105 10.276 -0.760 80 HA ILE 13 HA ILE 13 -0.895 7.814 -1.653 81 HB ILE 13 HB ILE 13 1.926 8.371 -0.731 82 1HG1 ILE 13 HG12 ILE 13 0.634 8.845 -3.423 83 2HG1 ILE 13 HG11 ILE 13 1.242 10.077 -2.323 84 1HG2 ILE 13 HG21 ILE 13 1.511 6.611 -3.018 85 2HG2 ILE 13 HG22 ILE 13 0.790 6.003 -1.529 86 3HG2 ILE 13 HG23 ILE 13 2.510 6.388 -1.582 87 1HD1 ILE 13 HD11 ILE 13 3.456 9.559 -2.769 88 2HD1 ILE 13 HD12 ILE 13 2.671 9.415 -4.342 89 3HD1 ILE 13 HD13 ILE 13 3.056 7.967 -3.412 90 H ASP 14 HN ASP 14 0.733 8.709 1.383 91 HA ASP 14 HA ASP 14 0.931 6.266 2.614 92 1HB ASP 14 HB2 ASP 14 1.407 8.806 3.396 93 2HB ASP 14 HB1 ASP 14 -0.041 8.468 4.340 94 H HIS 15 HN HIS 15 -1.932 8.223 2.133 95 HA HIS 15 HA HIS 15 -3.587 6.691 3.904 96 1HB HIS 15 HB2 HIS 15 -3.948 9.117 3.116 97 2HB HIS 15 HB1 HIS 15 -4.577 8.406 1.633 98 HD1 HIS 15 HD1 HIS 15 -5.543 6.225 4.285 99 HD2 HIS 15 HD2 HIS 15 -6.931 9.863 2.833 100 HE1 HIS 15 HE1 HIS 15 -7.896 6.439 5.146 101 HE2 HIS 15 HE2 HIS 15 -8.684 8.688 4.329 102 H GLU 16 HN GLU 16 -2.636 6.541 0.566 103 HA GLU 16 HA GLU 16 -4.686 4.631 -0.131 104 1HB GLU 16 HB2 GLU 16 -2.277 5.326 -1.793 105 2HB GLU 16 HB1 GLU 16 -3.841 4.734 -2.338 106 1HG GLU 16 HG2 GLU 16 -4.879 6.806 -1.946 107 2HG GLU 16 HG1 GLU 16 -3.519 7.393 -0.988 108 H ILE 17 HN ILE 17 -1.292 4.630 0.705 109 HA ILE 17 HA ILE 17 -0.662 1.998 -0.073 110 HB ILE 17 HB ILE 17 0.585 3.511 2.223 111 1HG1 ILE 17 HG12 ILE 17 1.689 3.574 -0.552 112 2HG1 ILE 17 HG11 ILE 17 0.372 4.664 -0.143 113 1HG2 ILE 17 HG21 ILE 17 1.696 1.569 2.375 114 2HG2 ILE 17 HG22 ILE 17 2.570 2.148 0.956 115 3HG2 ILE 17 HG23 ILE 17 1.206 1.047 0.763 116 1HD1 ILE 17 HD11 ILE 17 3.104 5.032 0.296 117 2HD1 ILE 17 HD12 ILE 17 2.389 4.761 1.885 118 3HD1 ILE 17 HD13 ILE 17 1.775 6.049 0.849 119 H ALA 18 HN ALA 18 -2.120 3.371 2.796 120 HA ALA 18 HA ALA 18 -1.965 0.950 4.341 121 1HB ALA 18 HB1 ALA 18 -2.053 2.620 5.846 122 2HB ALA 18 HB2 ALA 18 -3.798 2.453 5.647 123 3HB ALA 18 HB3 ALA 18 -2.923 3.698 4.754 124 H ASP 19 HN ASP 19 -4.415 2.612 2.416 125 HA ASP 19 HA ASP 19 -6.665 1.158 3.129 126 1HB ASP 19 HB2 ASP 19 -6.186 3.145 1.358 127 2HB ASP 19 HB1 ASP 19 -6.391 1.792 0.250 128 H LEU 20 HN LEU 20 -4.216 0.410 0.679 129 HA LEU 20 HA LEU 20 -5.453 -1.960 -0.253 130 1HB LEU 20 HB2 LEU 20 -2.500 -1.418 -0.332 131 2HB LEU 20 HB1 LEU 20 -3.455 -2.380 -1.445 132 HG LEU 20 HG LEU 20 -3.347 0.615 -1.209 133 1HD1 LEU 20 HD11 LEU 20 -2.841 0.399 -3.641 134 2HD1 LEU 20 HD12 LEU 20 -2.770 -1.348 -3.415 135 3HD1 LEU 20 HD13 LEU 20 -1.624 -0.303 -2.575 136 1HD2 LEU 20 HD21 LEU 20 -5.034 0.023 -3.321 137 2HD2 LEU 20 HD22 LEU 20 -5.503 0.700 -1.762 138 3HD2 LEU 20 HD23 LEU 20 -5.582 -1.042 -2.026 139 H GLN 21 HN GLN 21 -2.732 -1.448 1.984 140 HA GLN 21 HA GLN 21 -2.168 -4.071 2.611 141 1HB GLN 21 HB2 GLN 21 -1.096 -1.799 3.396 142 2HB GLN 21 HB1 GLN 21 -2.140 -2.027 4.792 143 1HG GLN 21 HG2 GLN 21 -1.071 -4.416 4.818 144 2HG GLN 21 HG1 GLN 21 0.206 -3.622 3.896 145 1HE2 GLN 21 HE21 GLN 21 1.326 -4.404 5.936 146 2HE2 GLN 21 HE22 GLN 21 1.416 -3.275 7.239 147 H ALA 22 HN ALA 22 -4.777 -2.050 3.793 148 HA ALA 22 HA ALA 22 -5.586 -3.779 5.904 149 1HB ALA 22 HB1 ALA 22 -6.461 -1.730 6.301 150 2HB ALA 22 HB2 ALA 22 -7.828 -2.401 5.411 151 3HB ALA 22 HB3 ALA 22 -6.664 -1.363 4.587 152 H LYS 23 HN LYS 23 -6.381 -3.517 2.500 153 HA LYS 23 HA LYS 23 -8.648 -5.218 2.540 154 1HB LYS 23 HB2 LYS 23 -6.870 -4.062 0.463 155 2HB LYS 23 HB1 LYS 23 -7.801 -5.483 0.009 156 1HG LYS 23 HG2 LYS 23 -9.561 -4.198 -0.360 157 2HG LYS 23 HG1 LYS 23 -9.568 -3.731 1.341 158 1HD LYS 23 HD2 LYS 23 -9.158 -1.651 0.641 159 2HD LYS 23 HD1 LYS 23 -7.531 -2.208 0.248 160 1HE LYS 23 HE2 LYS 23 -7.918 -2.165 -1.965 161 2HE LYS 23 HE1 LYS 23 -9.548 -2.813 -1.792 162 1HZ LYS 23 HZ1 LYS 23 -10.079 -0.734 -2.443 163 2HZ LYS 23 HZ2 LYS 23 -8.649 -0.045 -1.861 164 3HZ LYS 23 HZ3 LYS 23 -9.913 -0.395 -0.794 165 H ARG 24 HN ARG 24 -5.203 -5.788 2.243 166 HA ARG 24 HA ARG 24 -5.412 -8.501 1.395 167 1HB ARG 24 HB2 ARG 24 -3.300 -6.624 2.069 168 2HB ARG 24 HB1 ARG 24 -2.954 -8.236 2.680 169 1HG ARG 24 HG2 ARG 24 -3.660 -8.943 0.244 170 2HG ARG 24 HG1 ARG 24 -3.204 -7.277 -0.115 171 1HD ARG 24 HD2 ARG 24 -1.068 -7.863 -0.127 172 2HD ARG 24 HD1 ARG 24 -1.199 -8.378 1.553 173 HE ARG 24 HE ARG 24 -2.085 -10.280 -0.455 174 1HH1 ARG 24 HH11 ARG 24 0.493 -9.227 1.654 175 2HH1 ARG 24 HH12 ARG 24 1.306 -10.754 1.623 176 1HH2 ARG 24 HH21 ARG 24 -1.014 -12.284 -0.495 177 2HH2 ARG 24 HH22 ARG 24 0.453 -12.489 0.404 178 H THR 25 HN THR 25 -4.811 -6.975 4.550 179 HA THR 25 HA THR 25 -4.496 -9.331 6.032 180 HB THR 25 HB THR 25 -5.806 -7.039 7.362 181 HG1 THR 25 HG1 THR 25 -4.115 -5.679 7.080 182 1HG2 THR 25 HG21 THR 25 -4.877 -8.113 9.063 183 2HG2 THR 25 HG22 THR 25 -3.342 -7.448 8.504 184 3HG2 THR 25 HG23 THR 25 -3.838 -9.064 8.003 185 H ARG 26 HN ARG 26 -7.379 -7.261 5.713 186 HA ARG 26 HA ARG 26 -9.156 -8.760 7.191 187 1HB ARG 26 HB2 ARG 26 -10.929 -7.814 5.650 188 2HB ARG 26 HB1 ARG 26 -9.862 -6.636 6.404 189 1HG ARG 26 HG2 ARG 26 -9.654 -5.806 4.345 190 2HG ARG 26 HG1 ARG 26 -8.547 -7.153 4.078 191 1HD ARG 26 HD2 ARG 26 -9.901 -8.001 2.536 192 2HD ARG 26 HD1 ARG 26 -11.229 -8.059 3.695 193 HE ARG 26 HE ARG 26 -10.816 -6.111 1.625 194 1HH1 ARG 26 HH11 ARG 26 -12.311 -6.715 4.721 195 2HH1 ARG 26 HH12 ARG 26 -13.519 -5.492 4.517 196 1HH2 ARG 26 HH21 ARG 26 -12.405 -4.501 1.355 197 2HH2 ARG 26 HH22 ARG 26 -13.573 -4.235 2.606 198 H LEU 27 HN LEU 27 -8.260 -9.134 3.796 199 HA LEU 27 HA LEU 27 -10.036 -11.245 3.212 200 1HB LEU 27 HB2 LEU 27 -7.581 -10.121 1.973 201 2HB LEU 27 HB1 LEU 27 -8.053 -11.738 1.488 202 HG LEU 27 HG LEU 27 -10.205 -9.716 1.431 203 1HD1 LEU 27 HD11 LEU 27 -9.052 -9.336 -1.031 204 2HD1 LEU 27 HD12 LEU 27 -7.669 -9.293 0.063 205 3HD1 LEU 27 HD13 LEU 27 -9.024 -8.192 0.311 206 1HD2 LEU 27 HD21 LEU 27 -10.798 -11.828 0.636 207 2HD2 LEU 27 HD22 LEU 27 -9.282 -12.026 -0.243 208 3HD2 LEU 27 HD23 LEU 27 -10.499 -10.892 -0.829 209 H VAL 28 HN VAL 28 -6.789 -11.141 4.579 210 HA VAL 28 HA VAL 28 -6.240 -13.905 4.450 211 HB VAL 28 HB VAL 28 -5.282 -11.973 6.555 212 1HG1 VAL 28 HG11 VAL 28 -4.884 -14.301 7.129 213 2HG1 VAL 28 HG12 VAL 28 -3.365 -13.492 6.742 214 3HG1 VAL 28 HG13 VAL 28 -4.115 -14.571 5.565 215 1HG2 VAL 28 HG21 VAL 28 -4.809 -11.946 3.762 216 2HG2 VAL 28 HG22 VAL 28 -3.323 -12.474 4.549 217 3HG2 VAL 28 HG23 VAL 28 -4.066 -10.942 5.005 218 H GLN 29 HN GLN 29 -7.753 -11.890 6.928 219 HA GLN 29 HA GLN 29 -8.100 -13.768 8.934 220 1HB GLN 29 HB2 GLN 29 -9.427 -11.257 8.138 221 2HB GLN 29 HB1 GLN 29 -10.428 -12.342 9.094 222 1HG GLN 29 HG2 GLN 29 -9.382 -11.766 10.954 223 2HG GLN 29 HG1 GLN 29 -7.811 -12.146 10.250 224 1HE2 GLN 29 HE21 GLN 29 -6.453 -10.519 10.248 225 2HE2 GLN 29 HE22 GLN 29 -6.859 -8.843 10.134 226 H GLN 30 HN GLN 30 -9.815 -13.295 5.934 227 HA GLN 30 HA GLN 30 -11.987 -15.044 6.479 228 1HB GLN 30 HB2 GLN 30 -11.519 -13.239 4.544 229 2HB GLN 30 HB1 GLN 30 -11.052 -14.698 3.681 230 1HG GLN 30 HG2 GLN 30 -13.167 -15.472 3.562 231 2HG GLN 30 HG1 GLN 30 -13.618 -14.803 5.130 232 1HE2 GLN 30 HE21 GLN 30 -15.308 -14.637 2.978 233 2HE2 GLN 30 HE22 GLN 30 -15.440 -12.992 2.470 234 H HIS 31 HN HIS 31 -8.726 -15.463 5.265 235 HA HIS 31 HA HIS 31 -9.114 -18.361 5.431 236 1HB HIS 31 HB2 HIS 31 -7.945 -18.779 3.346 237 2HB HIS 31 HB1 HIS 31 -9.349 -17.761 3.046 238 HD1 HIS 31 HD1 HIS 31 -8.553 -15.025 3.210 239 HD2 HIS 31 HD2 HIS 31 -5.822 -17.884 1.948 240 HE1 HIS 31 HE1 HIS 31 -6.817 -13.770 1.905 241 HE2 HIS 31 HE2 HIS 31 -5.061 -15.490 1.364 242 HA PRO 32 HA PRO 32 -5.266 -16.875 7.584 243 1HB PRO 32 HB2 PRO 32 -5.667 -18.325 9.846 244 2HB PRO 32 HB1 PRO 32 -6.349 -16.712 9.604 245 1HG PRO 32 HG2 PRO 32 -7.648 -19.389 9.269 246 2HG PRO 32 HG1 PRO 32 -8.293 -17.919 10.024 247 1HD PRO 32 HD2 PRO 32 -8.951 -18.668 7.509 248 2HD PRO 32 HD1 PRO 32 -8.836 -16.965 7.995 249 H ARG 33 HN ARG 33 -6.699 -20.030 7.061 250 HA ARG 33 HA ARG 33 -4.002 -21.219 7.052 251 1HB ARG 33 HB2 ARG 33 -6.678 -22.507 7.609 252 2HB ARG 33 HB1 ARG 33 -5.174 -23.399 7.426 253 1HG ARG 33 HG2 ARG 33 -5.096 -23.220 9.659 254 2HG ARG 33 HG1 ARG 33 -4.446 -21.617 9.312 255 1HD ARG 33 HD2 ARG 33 -6.146 -20.724 10.426 256 2HD ARG 33 HD1 ARG 33 -7.250 -21.383 9.219 257 HE ARG 33 HE ARG 33 -6.836 -23.477 10.876 258 1HH1 ARG 33 HH11 ARG 33 -7.788 -20.163 11.420 259 2HH1 ARG 33 HH12 ARG 33 -8.727 -20.533 12.827 260 1HH2 ARG 33 HH21 ARG 33 -8.070 -23.964 12.727 261 2HH2 ARG 33 HH22 ARG 33 -8.887 -22.691 13.570 262 H CYS 1 HN CYS 35 -14.928 -23.864 1.243 263 HA CYS 1 HA CYS 35 -15.539 -24.697 -1.395 264 1HB CYS 1 HB2 CYS 35 -17.848 -24.271 -0.491 265 2HB CYS 1 HB1 CYS 35 -17.393 -22.583 -0.288 266 HG CYS 1 HG CYS 35 -16.986 -22.681 -3.003 267 H GLY 2 HN GLY 36 -13.361 -23.515 0.050 268 1HA GLY 2 HA2 GLY 36 -12.675 -21.450 -1.810 269 2HA GLY 2 HA1 GLY 36 -12.984 -20.807 -0.204 270 H GLY 3 HN GLY 37 -11.029 -23.175 -1.973 271 1HA GLY 3 HA2 GLY 37 -9.240 -23.798 0.094 272 2HA GLY 3 HA1 GLY 37 -8.892 -23.934 -1.622 273 H ASP 4 HN ASP 38 -8.337 -21.836 -2.728 274 HA ASP 4 HA ASP 38 -6.968 -19.966 -0.925 275 1HB ASP 4 HB2 ASP 38 -5.752 -21.196 -3.398 276 2HB ASP 4 HB1 ASP 38 -5.011 -19.944 -2.404 277 H ASN 5 HN ASN 39 -9.358 -20.132 -2.943 278 HA ASN 5 HA ASN 39 -8.957 -18.436 -5.087 279 1HB ASN 5 HB2 ASN 39 -11.126 -19.708 -4.054 280 2HB ASN 5 HB1 ASN 39 -11.503 -18.040 -3.633 281 1HD2 ASN 5 HD21 ASN 39 -10.369 -16.734 -5.797 282 2HD2 ASN 5 HD22 ASN 39 -11.262 -17.133 -7.222 283 H ILE 6 HN ILE 40 -9.202 -17.761 -1.708 284 HA ILE 6 HA ILE 40 -9.519 -14.914 -2.008 285 HB ILE 6 HB ILE 40 -8.691 -16.428 0.462 286 1HG1 ILE 6 HG12 ILE 40 -11.518 -15.702 -0.321 287 2HG1 ILE 6 HG11 ILE 40 -10.820 -17.292 -0.614 288 1HG2 ILE 6 HG21 ILE 40 -8.415 -13.971 0.461 289 2HG2 ILE 6 HG22 ILE 40 -9.574 -14.543 1.662 290 3HG2 ILE 6 HG23 ILE 40 -10.145 -13.808 0.164 291 1HD1 ILE 6 HD11 ILE 40 -12.254 -16.832 1.514 292 2HD1 ILE 6 HD12 ILE 40 -10.745 -16.167 2.139 293 3HD1 ILE 6 HD13 ILE 40 -10.815 -17.847 1.606 294 H GLU 7 HN GLU 41 -6.963 -17.171 -1.097 295 HA GLU 7 HA GLU 41 -4.930 -15.371 -0.514 296 1HB GLU 7 HB2 GLU 41 -5.114 -18.059 -0.510 297 2HB GLU 7 HB1 GLU 41 -4.155 -17.834 -1.966 298 1HG GLU 7 HG2 GLU 41 -2.618 -16.395 -0.551 299 2HG GLU 7 HG1 GLU 41 -3.485 -17.032 0.846 300 H GLN 8 HN GLN 42 -6.244 -16.359 -3.570 301 HA GLN 8 HA GLN 42 -4.060 -15.377 -5.150 302 1HB GLN 8 HB2 GLN 42 -5.821 -17.168 -5.777 303 2HB GLN 8 HB1 GLN 42 -6.859 -15.802 -6.159 304 1HG GLN 8 HG2 GLN 42 -5.791 -15.370 -8.070 305 2HG GLN 8 HG1 GLN 42 -4.201 -15.621 -7.350 306 1HE2 GLN 8 HE21 GLN 42 -4.100 -16.543 -9.663 307 2HE2 GLN 8 HE22 GLN 42 -4.380 -18.243 -9.794 308 H LYS 9 HN LYS 43 -7.261 -14.218 -4.230 309 HA LYS 9 HA LYS 43 -7.259 -11.849 -5.729 310 1HB LYS 9 HB2 LYS 43 -9.077 -13.091 -4.153 311 2HB LYS 9 HB1 LYS 43 -8.597 -11.772 -3.094 312 1HG LYS 9 HG2 LYS 43 -8.995 -10.334 -5.265 313 2HG LYS 9 HG1 LYS 43 -10.032 -11.696 -5.692 314 1HD LYS 9 HD2 LYS 43 -10.254 -10.435 -2.989 315 2HD LYS 9 HD1 LYS 43 -11.024 -9.675 -4.383 316 1HE LYS 9 HE2 LYS 43 -11.814 -12.247 -4.699 317 2HE LYS 9 HE1 LYS 43 -11.720 -12.145 -2.942 318 1HZ LYS 9 HZ1 LYS 43 -13.875 -11.456 -4.270 319 2HZ LYS 9 HZ2 LYS 43 -13.073 -9.969 -4.344 320 3HZ LYS 9 HZ3 LYS 43 -13.419 -10.668 -2.844 321 H ILE 10 HN ILE 44 -6.042 -12.575 -2.498 322 HA ILE 10 HA ILE 44 -5.399 -9.883 -1.847 323 HB ILE 10 HB ILE 44 -3.886 -10.900 -0.127 324 1HG1 ILE 10 HG12 ILE 44 -5.163 -13.502 -0.972 325 2HG1 ILE 10 HG11 ILE 44 -3.515 -13.039 -1.385 326 1HG2 ILE 10 HG21 ILE 44 -5.854 -11.908 1.161 327 2HG2 ILE 10 HG22 ILE 44 -6.810 -11.530 -0.272 328 3HG2 ILE 10 HG23 ILE 44 -5.998 -10.238 0.612 329 1HD1 ILE 10 HD11 ILE 44 -4.632 -13.514 1.361 330 2HD1 ILE 10 HD12 ILE 44 -3.022 -12.869 1.039 331 3HD1 ILE 10 HD13 ILE 44 -3.446 -14.493 0.497 332 H ASP 11 HN ASP 45 -3.506 -12.584 -3.182 333 HA ASP 11 HA ASP 45 -0.982 -11.484 -3.155 334 1HB ASP 11 HB2 ASP 45 -2.024 -13.748 -4.202 335 2HB ASP 11 HB1 ASP 45 -1.748 -12.835 -5.682 336 H ASP 12 HN ASP 46 -3.690 -10.783 -5.229 337 HA ASP 12 HA ASP 46 -2.303 -9.190 -7.133 338 1HB ASP 12 HB2 ASP 46 -5.134 -9.701 -6.411 339 2HB ASP 12 HB1 ASP 46 -4.810 -8.157 -7.194 340 H ILE 13 HN ILE 47 -4.152 -8.468 -4.210 341 HA ILE 13 HA ILE 47 -3.838 -5.684 -4.228 342 HB ILE 13 HB ILE 47 -4.012 -7.447 -1.783 343 1HG1 ILE 13 HG12 ILE 47 -6.188 -6.340 -3.563 344 2HG1 ILE 13 HG11 ILE 47 -5.818 -8.035 -3.268 345 1HG2 ILE 13 HG21 ILE 47 -5.374 -4.884 -1.712 346 2HG2 ILE 13 HG22 ILE 47 -3.640 -4.715 -1.985 347 3HG2 ILE 13 HG23 ILE 47 -4.229 -5.588 -0.570 348 1HD1 ILE 13 HD11 ILE 47 -7.522 -6.248 -1.801 349 2HD1 ILE 13 HD12 ILE 47 -6.296 -6.958 -0.750 350 3HD1 ILE 13 HD13 ILE 47 -7.363 -8.001 -1.690 351 H ASP 14 HN ASP 48 -1.875 -8.241 -2.724 352 HA ASP 14 HA ASP 48 -0.012 -6.750 -1.369 353 1HB ASP 14 HB2 ASP 48 -0.280 -9.372 -1.831 354 2HB ASP 14 HB1 ASP 48 1.032 -9.037 -2.957 355 H HIS 15 HN HIS 49 -0.272 -7.278 -4.821 356 HA HIS 15 HA HIS 49 2.292 -6.166 -5.448 357 1HB HIS 15 HB2 HIS 49 0.877 -7.775 -6.878 358 2HB HIS 15 HB1 HIS 49 -0.041 -6.347 -7.344 359 HD1 HIS 15 HD1 HIS 49 3.324 -5.255 -6.977 360 HD2 HIS 15 HD2 HIS 49 1.240 -7.345 -9.901 361 HE1 HIS 15 HE1 HIS 49 4.699 -5.033 -9.070 362 HE2 HIS 15 HE2 HIS 49 3.463 -6.380 -10.804 363 H GLU 16 HN GLU 50 -0.928 -4.962 -4.958 364 HA GLU 16 HA GLU 50 -0.340 -2.378 -6.106 365 1HB GLU 16 HB2 GLU 50 -2.754 -3.058 -4.446 366 2HB GLU 16 HB1 GLU 50 -2.599 -1.825 -5.692 367 1HG GLU 16 HG2 GLU 50 -2.633 -3.423 -7.419 368 2HG GLU 16 HG1 GLU 50 -2.368 -4.756 -6.296 369 H ILE 17 HN ILE 51 -0.568 -3.838 -2.937 370 HA ILE 17 HA ILE 51 -0.577 -1.494 -1.381 371 HB ILE 17 HB ILE 51 0.638 -4.140 -0.581 372 1HG1 ILE 17 HG12 ILE 51 -2.197 -3.414 0.017 373 2HG1 ILE 17 HG11 ILE 51 -1.813 -4.070 -1.568 374 1HG2 ILE 17 HG21 ILE 51 1.091 -2.930 1.250 375 2HG2 ILE 17 HG22 ILE 51 -0.629 -3.112 1.600 376 3HG2 ILE 17 HG23 ILE 51 -0.039 -1.651 0.805 377 1HD1 ILE 17 HD11 ILE 51 -2.310 -5.469 0.797 378 2HD1 ILE 17 HD12 ILE 51 -0.588 -5.661 0.471 379 3HD1 ILE 17 HD13 ILE 51 -1.774 -6.120 -0.751 380 H ALA 18 HN ALA 52 1.967 -3.356 -2.893 381 HA ALA 18 HA ALA 52 4.111 -1.996 -1.537 382 1HB ALA 18 HB1 ALA 52 3.850 -4.190 -3.474 383 2HB ALA 18 HB2 ALA 52 4.948 -4.004 -2.106 384 3HB ALA 18 HB3 ALA 52 5.310 -3.213 -3.640 385 H ASP 19 HN ASP 53 2.560 -1.828 -4.710 386 HA ASP 19 HA ASP 53 4.320 -0.139 -6.022 387 1HB ASP 19 HB2 ASP 53 1.952 -1.268 -6.675 388 2HB ASP 19 HB1 ASP 53 1.441 0.402 -6.456 389 H LEU 20 HN LEU 54 1.660 0.686 -3.835 390 HA LEU 20 HA LEU 54 1.926 3.495 -4.112 391 1HB LEU 20 HB2 LEU 54 0.819 2.083 -1.703 392 2HB LEU 20 HB1 LEU 54 0.418 3.683 -2.293 393 HG LEU 20 HG LEU 54 -0.442 1.020 -3.367 394 1HD1 LEU 20 HD11 LEU 54 -1.971 1.830 -1.817 395 2HD1 LEU 20 HD12 LEU 54 -2.645 2.338 -3.365 396 3HD1 LEU 20 HD13 LEU 54 -1.782 3.497 -2.355 397 1HD2 LEU 20 HD21 LEU 54 0.087 3.465 -4.892 398 2HD2 LEU 20 HD22 LEU 54 -1.534 2.806 -5.109 399 3HD2 LEU 20 HD23 LEU 54 -0.123 1.804 -5.445 400 H GLN 21 HN GLN 55 2.978 1.261 -1.547 401 HA GLN 21 HA GLN 55 4.229 3.068 0.120 402 1HB GLN 21 HB2 GLN 55 3.861 0.483 0.320 403 2HB GLN 21 HB1 GLN 55 5.477 0.389 -0.366 404 1HG GLN 21 HG2 GLN 55 6.214 1.930 1.496 405 2HG GLN 21 HG1 GLN 55 4.635 1.644 2.227 406 1HE2 GLN 21 HE21 GLN 55 7.120 0.991 3.397 407 2HE2 GLN 21 HE22 GLN 55 7.190 -0.726 3.574 408 H ALA 22 HN ALA 56 5.388 1.675 -2.879 409 HA ALA 22 HA ALA 56 8.093 2.528 -2.592 410 1HB ALA 22 HB1 ALA 56 6.542 1.765 -5.063 411 2HB ALA 22 HB2 ALA 56 7.518 0.688 -4.064 412 3HB ALA 22 HB3 ALA 56 8.291 1.982 -4.980 413 H LYS 23 HN LYS 57 5.181 3.964 -3.903 414 HA LYS 23 HA LYS 57 6.458 6.099 -5.276 415 1HB LYS 23 HB2 LYS 57 3.666 5.484 -4.421 416 2HB LYS 23 HB1 LYS 57 4.050 7.129 -4.907 417 1HG LYS 23 HG2 LYS 57 3.931 6.578 -7.045 418 2HG LYS 23 HG1 LYS 57 5.122 5.296 -6.823 419 1HD LYS 23 HD2 LYS 57 3.431 3.926 -7.382 420 2HD LYS 23 HD1 LYS 57 2.905 4.171 -5.716 421 1HE LYS 23 HE2 LYS 57 0.971 4.805 -6.669 422 2HE LYS 23 HE1 LYS 57 1.810 6.336 -6.918 423 1HZ LYS 23 HZ1 LYS 57 0.851 5.710 -8.972 424 2HZ LYS 23 HZ2 LYS 57 1.459 4.135 -8.873 425 3HZ LYS 23 HZ3 LYS 57 2.514 5.433 -9.121 426 H ARG 24 HN ARG 58 5.328 5.644 -1.989 427 HA ARG 24 HA ARG 58 5.478 8.377 -1.213 428 1HB ARG 24 HB2 ARG 58 4.899 5.826 0.040 429 2HB ARG 24 HB1 ARG 58 5.884 6.840 1.085 430 1HG ARG 24 HG2 ARG 58 4.110 8.667 0.412 431 2HG ARG 24 HG1 ARG 58 3.114 7.243 0.110 432 1HD ARG 24 HD2 ARG 58 2.723 7.033 2.281 433 2HD ARG 24 HD1 ARG 58 4.451 6.890 2.592 434 HE ARG 24 HE ARG 58 3.386 9.579 2.281 435 1HH1 ARG 24 HH11 ARG 58 4.419 7.052 4.462 436 2HH1 ARG 24 HH12 ARG 58 4.652 8.131 5.795 437 1HH2 ARG 24 HH21 ARG 58 3.692 10.993 4.036 438 2HH2 ARG 24 HH22 ARG 58 4.238 10.365 5.555 439 H THR 25 HN THR 59 7.718 5.641 -0.938 440 HA THR 25 HA THR 59 9.708 6.956 0.544 441 HB THR 25 HB THR 59 10.616 4.944 -1.409 442 HG1 THR 25 HG1 THR 59 9.505 3.273 -0.307 443 1HG2 THR 25 HG21 THR 59 10.733 4.986 1.594 444 2HG2 THR 25 HG22 THR 59 11.980 5.616 0.518 445 3HG2 THR 25 HG23 THR 59 11.601 3.893 0.516 446 H ARG 26 HN ARG 60 9.562 6.320 -2.965 447 HA ARG 26 HA ARG 60 11.862 7.625 -3.731 448 1HB ARG 26 HB2 ARG 60 10.901 7.826 -5.934 449 2HB ARG 26 HB1 ARG 60 10.399 6.293 -5.236 450 1HG ARG 26 HG2 ARG 60 8.215 7.184 -4.740 451 2HG ARG 26 HG1 ARG 60 8.707 8.783 -5.300 452 1HD ARG 26 HD2 ARG 60 9.219 6.769 -7.306 453 2HD ARG 26 HD1 ARG 60 7.528 6.755 -6.809 454 HE ARG 26 HE ARG 60 8.021 9.380 -7.215 455 1HH1 ARG 26 HH11 ARG 60 8.536 6.534 -9.168 456 2HH1 ARG 26 HH12 ARG 60 8.335 7.375 -10.669 457 1HH2 ARG 26 HH21 ARG 60 7.756 10.487 -9.187 458 2HH2 ARG 26 HH22 ARG 60 7.893 9.619 -10.680 459 H LEU 27 HN LEU 61 8.657 8.985 -3.153 460 HA LEU 27 HA LEU 61 9.270 11.626 -3.934 461 1HB LEU 27 HB2 LEU 61 7.141 10.327 -2.312 462 2HB LEU 27 HB1 LEU 61 7.340 12.061 -2.150 463 HG LEU 27 HG LEU 61 7.255 11.200 -4.937 464 1HD1 LEU 27 HD11 LEU 61 5.353 10.030 -3.118 465 2HD1 LEU 27 HD12 LEU 61 5.558 9.774 -4.851 466 3HD1 LEU 27 HD13 LEU 61 4.549 11.099 -4.268 467 1HD2 LEU 27 HD21 LEU 61 5.305 12.957 -4.741 468 2HD2 LEU 27 HD22 LEU 61 6.995 13.459 -4.686 469 3HD2 LEU 27 HD23 LEU 61 6.074 13.300 -3.191 470 H VAL 28 HN VAL 62 9.613 9.863 -0.903 471 HA VAL 28 HA VAL 62 10.260 12.070 0.735 472 HB VAL 28 HB VAL 62 11.256 9.242 1.046 473 1HG1 VAL 28 HG11 VAL 62 11.087 11.599 2.888 474 2HG1 VAL 28 HG12 VAL 62 12.465 10.553 2.546 475 3HG1 VAL 28 HG13 VAL 62 11.119 9.951 3.515 476 1HG2 VAL 28 HG21 VAL 62 9.052 9.834 2.756 477 2HG2 VAL 28 HG22 VAL 62 9.185 8.587 1.518 478 3HG2 VAL 28 HG23 VAL 62 8.592 10.191 1.092 479 H GLN 29 HN GLN 63 12.229 9.849 -1.182 480 HA GLN 29 HA GLN 63 14.765 10.707 -0.471 481 1HB GLN 29 HB2 GLN 63 13.563 9.319 -2.756 482 2HB GLN 29 HB1 GLN 63 14.995 10.245 -3.187 483 1HG GLN 29 HG2 GLN 63 16.202 8.525 -2.500 484 2HG GLN 29 HG1 GLN 63 15.706 8.921 -0.856 485 1HE2 GLN 29 HE21 GLN 63 14.621 7.440 0.243 486 2HE2 GLN 29 HE22 GLN 63 13.876 6.032 -0.425 487 H GLN 30 HN GLN 64 12.363 12.168 -2.529 488 HA GLN 30 HA GLN 64 14.057 14.151 -3.679 489 1HB GLN 30 HB2 GLN 64 11.591 13.268 -4.282 490 2HB GLN 30 HB1 GLN 64 11.157 14.699 -3.357 491 1HG GLN 30 HG2 GLN 64 11.760 16.081 -4.996 492 2HG GLN 30 HG1 GLN 64 13.249 15.195 -5.320 493 1HE2 GLN 30 HE21 GLN 64 11.599 16.318 -7.295 494 2HE2 GLN 30 HE22 GLN 64 10.951 15.034 -8.252 495 H HIS 31 HN HIS 65 12.164 13.890 -0.741 496 HA HIS 31 HA HIS 65 13.371 16.394 0.176 497 1HB HIS 31 HB2 HIS 65 11.301 17.237 1.099 498 2HB HIS 31 HB1 HIS 65 11.090 16.946 -0.623 499 HD1 HIS 31 HD1 HIS 65 10.118 14.275 -0.978 500 HD2 HIS 31 HD2 HIS 65 9.130 16.392 2.451 501 HE1 HIS 31 HE1 HIS 65 8.033 13.195 -0.095 502 HE2 HIS 31 HE2 HIS 65 7.602 14.345 2.101 503 HA PRO 32 HA PRO 66 13.637 12.897 3.257 504 1HB PRO 32 HB2 PRO 66 16.293 13.185 3.750 505 2HB PRO 32 HB1 PRO 66 15.661 12.178 2.442 506 1HG PRO 32 HG2 PRO 66 16.753 14.964 2.331 507 2HG PRO 32 HG1 PRO 66 17.040 13.605 1.228 508 1HD PRO 32 HD2 PRO 66 15.299 15.595 0.657 509 2HD PRO 32 HD1 PRO 66 15.046 13.924 0.115 510 H ARG 33 HN ARG 67 14.780 16.210 3.207 511 HA ARG 33 HA ARG 67 14.590 16.319 6.140 512 1HB ARG 33 HB2 ARG 67 15.987 18.161 4.194 513 2HB ARG 33 HB1 ARG 67 15.868 18.454 5.924 514 1HG ARG 33 HG2 ARG 67 17.886 17.458 5.929 515 2HG ARG 33 HG1 ARG 67 16.910 15.989 5.971 516 1HD ARG 33 HD2 ARG 67 17.839 15.335 4.065 517 2HD ARG 33 HD1 ARG 67 17.159 16.749 3.261 518 HE ARG 33 HE ARG 67 19.230 17.731 3.301 519 1HH1 ARG 33 HH11 ARG 67 19.232 14.982 5.450 520 2HH1 ARG 33 HH12 ARG 67 20.943 15.030 5.713 521 1HH2 ARG 33 HH21 ARG 67 21.480 17.797 3.646 522 2HH2 ARG 33 HH22 ARG 67 22.219 16.628 4.689 Start of MODEL 2 1 H CYS 1 HT1 CYS 1 8.612 27.387 -4.433 2 HA CYS 1 HA CYS 1 7.043 25.498 -4.297 3 1HB CYS 1 HB2 CYS 1 6.685 25.970 -6.931 4 2HB CYS 1 HB1 CYS 1 7.914 24.712 -7.022 5 HG CYS 1 HG CYS 1 5.423 23.744 -7.030 6 H GLY 2 HN GLY 2 8.633 24.951 -2.827 7 1HA GLY 2 HA2 GLY 2 10.459 22.941 -3.581 8 2HA GLY 2 HA1 GLY 2 11.327 24.458 -3.407 9 H GLY 3 HN GLY 3 8.551 23.346 -1.521 10 1HA GLY 3 HA2 GLY 3 10.317 23.296 0.850 11 2HA GLY 3 HA1 GLY 3 8.683 23.938 0.890 12 H ASP 4 HN ASP 4 7.256 22.627 1.795 13 HA ASP 4 HA ASP 4 7.845 19.776 1.979 14 1HB ASP 4 HB2 ASP 4 5.683 21.431 3.281 15 2HB ASP 4 HB1 ASP 4 5.988 19.726 3.597 16 H ASN 5 HN ASN 5 6.653 21.386 -0.411 17 HA ASN 5 HA ASN 5 4.044 20.614 -0.917 18 1HB ASN 5 HB2 ASN 5 5.337 22.171 -2.347 19 2HB ASN 5 HB1 ASN 5 6.297 20.815 -2.933 20 1HD2 ASN 5 HD21 ASN 5 2.823 21.251 -2.369 21 2HD2 ASN 5 HD22 ASN 5 2.336 20.829 -3.972 22 H ILE 6 HN ILE 6 6.982 18.792 -0.992 23 HA ILE 6 HA ILE 6 5.881 16.526 -2.386 24 HB ILE 6 HB ILE 6 8.398 16.615 -0.732 25 1HG1 ILE 6 HG12 ILE 6 8.861 16.856 -3.569 26 2HG1 ILE 6 HG11 ILE 6 7.821 18.165 -3.018 27 1HG2 ILE 6 HG21 ILE 6 7.499 14.406 -1.447 28 2HG2 ILE 6 HG22 ILE 6 9.114 14.768 -2.060 29 3HG2 ILE 6 HG23 ILE 6 7.713 14.918 -3.121 30 1HD1 ILE 6 HD11 ILE 6 9.459 18.811 -1.366 31 2HD1 ILE 6 HD12 ILE 6 10.196 18.756 -2.968 32 3HD1 ILE 6 HD13 ILE 6 10.485 17.450 -1.819 33 H GLU 7 HN GLU 7 6.743 17.362 0.934 34 HA GLU 7 HA GLU 7 6.150 14.934 2.169 35 1HB GLU 7 HB2 GLU 7 7.077 17.347 3.020 36 2HB GLU 7 HB1 GLU 7 5.458 17.355 3.702 37 1HG GLU 7 HG2 GLU 7 5.879 15.354 4.921 38 2HG GLU 7 HG1 GLU 7 7.414 15.107 4.091 39 H GLN 8 HN GLN 8 4.064 17.419 0.951 40 HA GLN 8 HA GLN 8 1.735 16.527 2.392 41 1HB GLN 8 HB2 GLN 8 2.075 18.890 1.636 42 2HB GLN 8 HB1 GLN 8 1.885 18.339 -0.023 43 1HG GLN 8 HG2 GLN 8 -0.361 17.338 1.062 44 2HG GLN 8 HG1 GLN 8 -0.129 18.759 2.081 45 1HE2 GLN 8 HE21 GLN 8 -2.155 19.433 1.079 46 2HE2 GLN 8 HE22 GLN 8 -2.103 20.238 -0.450 47 H LYS 9 HN LYS 9 3.012 16.252 -0.886 48 HA LYS 9 HA LYS 9 0.865 14.879 -2.040 49 1HB LYS 9 HB2 LYS 9 3.124 15.885 -3.034 50 2HB LYS 9 HB1 LYS 9 3.633 14.208 -2.902 51 1HG LYS 9 HG2 LYS 9 1.473 13.659 -4.170 52 2HG LYS 9 HG1 LYS 9 1.440 15.378 -4.568 53 1HD LYS 9 HD2 LYS 9 4.041 14.113 -5.002 54 2HD LYS 9 HD1 LYS 9 2.748 13.440 -5.996 55 1HE LYS 9 HE2 LYS 9 3.796 15.242 -7.193 56 2HE LYS 9 HE1 LYS 9 2.172 15.737 -6.720 57 1HZ LYS 9 HZ1 LYS 9 4.152 17.339 -6.368 58 2HZ LYS 9 HZ2 LYS 9 4.459 16.403 -4.993 59 3HZ LYS 9 HZ3 LYS 9 2.976 17.200 -5.159 60 H ILE 10 HN ILE 10 3.608 13.742 -0.149 61 HA ILE 10 HA ILE 10 3.148 10.978 -0.641 62 HB ILE 10 HB ILE 10 4.535 10.620 1.426 63 1HG1 ILE 10 HG12 ILE 10 5.009 13.598 1.247 64 2HG1 ILE 10 HG11 ILE 10 3.969 12.842 2.449 65 1HG2 ILE 10 HG21 ILE 10 6.057 12.407 -0.394 66 2HG2 ILE 10 HG22 ILE 10 5.274 10.982 -1.076 67 3HG2 ILE 10 HG23 ILE 10 6.461 10.803 0.216 68 1HD1 ILE 10 HD11 ILE 10 6.913 12.345 2.105 69 2HD1 ILE 10 HD12 ILE 10 5.871 11.589 3.310 70 3HD1 ILE 10 HD13 ILE 10 6.160 13.328 3.361 71 H ASP 11 HN ASP 11 2.204 13.188 1.976 72 HA ASP 11 HA ASP 11 1.086 11.411 3.757 73 1HB ASP 11 HB2 ASP 11 1.195 14.100 3.641 74 2HB ASP 11 HB1 ASP 11 -0.497 13.866 3.215 75 H ASP 12 HN ASP 12 -0.141 12.571 0.708 76 HA ASP 12 HA ASP 12 -2.778 11.534 0.956 77 1HB ASP 12 HB2 ASP 12 -1.085 12.580 -1.260 78 2HB ASP 12 HB1 ASP 12 -2.457 11.569 -1.706 79 H ILE 13 HN ILE 13 0.190 10.335 -0.562 80 HA ILE 13 HA ILE 13 -0.837 7.892 -1.489 81 HB ILE 13 HB ILE 13 1.996 8.422 -0.580 82 1HG1 ILE 13 HG12 ILE 13 0.717 8.870 -3.288 83 2HG1 ILE 13 HG11 ILE 13 1.261 10.129 -2.184 84 1HG2 ILE 13 HG21 ILE 13 0.820 6.066 -1.403 85 2HG2 ILE 13 HG22 ILE 13 2.546 6.424 -1.404 86 3HG2 ILE 13 HG23 ILE 13 1.593 6.675 -2.866 87 1HD1 ILE 13 HD11 ILE 13 2.743 9.410 -4.191 88 2HD1 ILE 13 HD12 ILE 13 3.199 8.076 -3.132 89 3HD1 ILE 13 HD13 ILE 13 3.479 9.741 -2.623 90 H ASP 14 HN ASP 14 0.825 8.724 1.544 91 HA ASP 14 HA ASP 14 1.005 6.266 2.741 92 1HB ASP 14 HB2 ASP 14 1.488 8.806 3.553 93 2HB ASP 14 HB1 ASP 14 0.065 8.433 4.520 94 H HIS 15 HN HIS 15 -1.842 8.257 2.309 95 HA HIS 15 HA HIS 15 -3.502 6.711 4.065 96 1HB HIS 15 HB2 HIS 15 -3.852 9.150 3.379 97 2HB HIS 15 HB1 HIS 15 -4.455 8.521 1.849 98 HD1 HIS 15 HD1 HIS 15 -5.303 6.631 4.930 99 HD2 HIS 15 HD2 HIS 15 -7.022 9.532 2.502 100 HE1 HIS 15 HE1 HIS 15 -7.723 6.726 5.605 101 HE2 HIS 15 HE2 HIS 15 -8.761 8.428 4.064 102 H GLU 16 HN GLU 16 -2.592 6.619 0.711 103 HA GLU 16 HA GLU 16 -4.684 4.760 -0.008 104 1HB GLU 16 HB2 GLU 16 -2.268 5.431 -1.672 105 2HB GLU 16 HB1 GLU 16 -3.848 4.884 -2.217 106 1HG GLU 16 HG2 GLU 16 -3.583 7.487 -0.779 107 2HG GLU 16 HG1 GLU 16 -3.169 7.370 -2.490 108 H ILE 17 HN ILE 17 -1.293 4.689 0.826 109 HA ILE 17 HA ILE 17 -0.706 2.059 0.005 110 HB ILE 17 HB ILE 17 0.560 3.529 2.320 111 1HG1 ILE 17 HG12 ILE 17 1.688 3.573 -0.447 112 2HG1 ILE 17 HG11 ILE 17 0.385 4.685 -0.051 113 1HG2 ILE 17 HG21 ILE 17 2.527 2.129 1.078 114 2HG2 ILE 17 HG22 ILE 17 1.143 1.059 0.852 115 3HG2 ILE 17 HG23 ILE 17 1.617 1.556 2.475 116 1HD1 ILE 17 HD11 ILE 17 1.889 6.064 0.794 117 2HD1 ILE 17 HD12 ILE 17 3.169 4.880 0.530 118 3HD1 ILE 17 HD13 ILE 17 2.253 4.868 2.037 119 H ALA 18 HN ALA 18 -2.123 3.410 2.910 120 HA ALA 18 HA ALA 18 -2.022 0.953 4.401 121 1HB ALA 18 HB1 ALA 18 -2.924 3.711 4.874 122 2HB ALA 18 HB2 ALA 18 -2.072 2.594 5.940 123 3HB ALA 18 HB3 ALA 18 -3.821 2.465 5.743 124 H ASP 19 HN ASP 19 -4.411 2.677 2.466 125 HA ASP 19 HA ASP 19 -6.712 1.298 3.164 126 1HB ASP 19 HB2 ASP 19 -6.336 3.296 1.521 127 2HB ASP 19 HB1 ASP 19 -6.194 2.034 0.301 128 H LEU 20 HN LEU 20 -4.255 0.451 0.753 129 HA LEU 20 HA LEU 20 -5.565 -1.898 -0.155 130 1HB LEU 20 HB2 LEU 20 -2.599 -1.471 -0.268 131 2HB LEU 20 HB1 LEU 20 -3.617 -2.352 -1.390 132 HG LEU 20 HG LEU 20 -3.384 0.633 -1.076 133 1HD1 LEU 20 HD11 LEU 20 -2.760 -1.322 -3.270 134 2HD1 LEU 20 HD12 LEU 20 -1.661 -0.225 -2.436 135 3HD1 LEU 20 HD13 LEU 20 -2.878 0.417 -3.538 136 1HD2 LEU 20 HD21 LEU 20 -5.765 -0.124 -1.359 137 2HD2 LEU 20 HD22 LEU 20 -5.284 -0.811 -2.910 138 3HD2 LEU 20 HD23 LEU 20 -5.151 0.926 -2.635 139 H GLN 21 HN GLN 21 -2.845 -1.395 2.082 140 HA GLN 21 HA GLN 21 -2.298 -4.017 2.732 141 1HB GLN 21 HB2 GLN 21 -1.229 -1.738 3.512 142 2HB GLN 21 HB1 GLN 21 -2.281 -1.963 4.903 143 1HG GLN 21 HG2 GLN 21 -0.606 -4.260 4.082 144 2HG GLN 21 HG1 GLN 21 0.205 -2.881 4.822 145 1HE2 GLN 21 HE21 GLN 21 0.724 -4.398 6.523 146 2HE2 GLN 21 HE22 GLN 21 -0.431 -4.707 7.768 147 H ALA 22 HN ALA 22 -4.911 -1.976 3.867 148 HA ALA 22 HA ALA 22 -5.752 -3.715 5.969 149 1HB ALA 22 HB1 ALA 22 -7.959 -2.284 5.514 150 2HB ALA 22 HB2 ALA 22 -6.788 -1.261 4.681 151 3HB ALA 22 HB3 ALA 22 -6.568 -1.641 6.389 152 H LYS 23 HN LYS 23 -6.514 -3.388 2.565 153 HA LYS 23 HA LYS 23 -8.811 -5.070 2.593 154 1HB LYS 23 HB2 LYS 23 -7.019 -3.974 0.457 155 2HB LYS 23 HB1 LYS 23 -8.189 -5.224 0.056 156 1HG LYS 23 HG2 LYS 23 -9.916 -3.809 0.151 157 2HG LYS 23 HG1 LYS 23 -9.307 -3.009 1.602 158 1HD LYS 23 HD2 LYS 23 -9.256 -1.354 -0.063 159 2HD LYS 23 HD1 LYS 23 -7.586 -1.912 0.068 160 1HE LYS 23 HE2 LYS 23 -8.351 -3.577 -1.824 161 2HE LYS 23 HE1 LYS 23 -9.571 -2.337 -2.113 162 1HZ LYS 23 HZ1 LYS 23 -7.521 -0.767 -2.063 163 2HZ LYS 23 HZ2 LYS 23 -7.869 -1.649 -3.464 164 3HZ LYS 23 HZ3 LYS 23 -6.653 -2.177 -2.415 165 H ARG 24 HN ARG 24 -5.371 -5.623 2.224 166 HA ARG 24 HA ARG 24 -5.598 -8.308 1.282 167 1HB ARG 24 HB2 ARG 24 -3.588 -6.976 0.881 168 2HB ARG 24 HB1 ARG 24 -3.287 -6.879 2.611 169 1HG ARG 24 HG2 ARG 24 -2.302 -8.876 2.661 170 2HG ARG 24 HG1 ARG 24 -3.552 -9.617 1.659 171 1HD ARG 24 HD2 ARG 24 -2.387 -8.230 -0.245 172 2HD ARG 24 HD1 ARG 24 -1.012 -8.278 0.857 173 HE ARG 24 HE ARG 24 -1.980 -10.410 -0.749 174 1HH1 ARG 24 HH11 ARG 24 -0.519 -9.718 2.342 175 2HH1 ARG 24 HH12 ARG 24 0.220 -11.278 2.483 176 1HH2 ARG 24 HH21 ARG 24 -1.009 -12.462 -0.567 177 2HH2 ARG 24 HH22 ARG 24 -0.057 -12.836 0.831 178 H THR 25 HN THR 25 -5.079 -6.845 4.467 179 HA THR 25 HA THR 25 -4.681 -9.237 5.892 180 HB THR 25 HB THR 25 -6.058 -7.023 7.282 181 HG1 THR 25 HG1 THR 25 -3.455 -6.683 6.214 182 1HG2 THR 25 HG21 THR 25 -3.761 -7.281 8.573 183 2HG2 THR 25 HG22 THR 25 -3.810 -8.866 7.802 184 3HG2 THR 25 HG23 THR 25 -5.132 -8.355 8.852 185 H ARG 26 HN ARG 26 -7.626 -7.246 5.573 186 HA ARG 26 HA ARG 26 -9.381 -8.782 7.019 187 1HB ARG 26 HB2 ARG 26 -11.169 -7.852 5.607 188 2HB ARG 26 HB1 ARG 26 -9.998 -6.624 6.067 189 1HG ARG 26 HG2 ARG 26 -8.954 -6.776 3.875 190 2HG ARG 26 HG1 ARG 26 -10.098 -8.037 3.410 191 1HD ARG 26 HD2 ARG 26 -10.806 -5.904 2.510 192 2HD ARG 26 HD1 ARG 26 -11.948 -6.450 3.738 193 HE ARG 26 HE ARG 26 -10.202 -4.850 5.094 194 1HH1 ARG 26 HH11 ARG 26 -12.253 -4.436 2.300 195 2HH1 ARG 26 HH12 ARG 26 -12.498 -2.744 2.576 196 1HH2 ARG 26 HH21 ARG 26 -10.524 -2.625 5.458 197 2HH2 ARG 26 HH22 ARG 26 -11.516 -1.715 4.369 198 H LEU 27 HN LEU 27 -8.395 -9.198 3.653 199 HA LEU 27 HA LEU 27 -10.105 -11.367 3.075 200 1HB LEU 27 HB2 LEU 27 -7.738 -10.116 1.839 201 2HB LEU 27 HB1 LEU 27 -7.966 -11.812 1.454 202 HG LEU 27 HG LEU 27 -10.463 -10.906 0.990 203 1HD1 LEU 27 HD11 LEU 27 -8.638 -8.624 0.250 204 2HD1 LEU 27 HD12 LEU 27 -9.869 -8.592 1.513 205 3HD1 LEU 27 HD13 LEU 27 -10.343 -8.775 -0.175 206 1HD2 LEU 27 HD21 LEU 27 -8.500 -12.028 -0.465 207 2HD2 LEU 27 HD22 LEU 27 -8.592 -10.447 -1.241 208 3HD2 LEU 27 HD23 LEU 27 -10.026 -11.470 -1.150 209 H VAL 28 HN VAL 28 -6.862 -11.154 4.451 210 HA VAL 28 HA VAL 28 -6.245 -13.899 4.413 211 HB VAL 28 HB VAL 28 -5.366 -11.896 6.487 212 1HG1 VAL 28 HG11 VAL 28 -3.377 -13.350 6.657 213 2HG1 VAL 28 HG12 VAL 28 -4.141 -14.483 5.543 214 3HG1 VAL 28 HG13 VAL 28 -4.867 -14.172 7.120 215 1HG2 VAL 28 HG21 VAL 28 -3.418 -12.395 4.436 216 2HG2 VAL 28 HG22 VAL 28 -4.117 -10.864 4.962 217 3HG2 VAL 28 HG23 VAL 28 -4.920 -11.818 3.716 218 H GLN 29 HN GLN 29 -7.831 -11.871 6.840 219 HA GLN 29 HA GLN 29 -8.140 -13.715 8.882 220 1HB GLN 29 HB2 GLN 29 -9.558 -11.270 8.016 221 2HB GLN 29 HB1 GLN 29 -10.492 -12.357 9.035 222 1HG GLN 29 HG2 GLN 29 -9.535 -11.004 10.604 223 2HG GLN 29 HG1 GLN 29 -8.358 -12.315 10.535 224 1HE2 GLN 29 HE21 GLN 29 -6.312 -11.858 10.028 225 2HE2 GLN 29 HE22 GLN 29 -5.737 -10.308 9.523 226 H GLN 30 HN GLN 30 -9.870 -13.351 5.870 227 HA GLN 30 HA GLN 30 -11.997 -15.138 6.456 228 1HB GLN 30 HB2 GLN 30 -11.683 -13.379 4.515 229 2HB GLN 30 HB1 GLN 30 -10.982 -14.751 3.667 230 1HG GLN 30 HG2 GLN 30 -12.975 -15.627 3.247 231 2HG GLN 30 HG1 GLN 30 -13.490 -15.445 4.924 232 1HE2 GLN 30 HE21 GLN 30 -15.355 -14.423 4.959 233 2HE2 GLN 30 HE22 GLN 30 -15.765 -13.018 4.042 234 H HIS 31 HN HIS 31 -8.723 -15.523 5.267 235 HA HIS 31 HA HIS 31 -9.065 -18.426 5.498 236 1HB HIS 31 HB2 HIS 31 -7.809 -18.851 3.457 237 2HB HIS 31 HB1 HIS 31 -9.239 -17.889 3.100 238 HD1 HIS 31 HD1 HIS 31 -8.523 -15.118 3.272 239 HD2 HIS 31 HD2 HIS 31 -5.704 -17.914 2.062 240 HE1 HIS 31 HE1 HIS 31 -6.800 -13.825 1.984 241 HE2 HIS 31 HE2 HIS 31 -4.997 -15.504 1.472 242 HA PRO 32 HA PRO 32 -5.348 -16.955 7.819 243 1HB PRO 32 HB2 PRO 32 -5.690 -18.663 9.905 244 2HB PRO 32 HB1 PRO 32 -6.484 -17.089 9.810 245 1HG PRO 32 HG2 PRO 32 -7.571 -19.801 9.158 246 2HG PRO 32 HG1 PRO 32 -8.343 -18.469 10.039 247 1HD PRO 32 HD2 PRO 32 -8.884 -18.994 7.443 248 2HD PRO 32 HD1 PRO 32 -8.903 -17.347 8.104 249 H ARG 33 HN ARG 33 -3.454 -18.207 8.557 250 HA ARG 33 HA ARG 33 -1.807 -19.734 8.202 251 1HB ARG 33 HB2 ARG 33 -4.018 -21.715 7.657 252 2HB ARG 33 HB1 ARG 33 -2.384 -22.062 8.206 253 1HG ARG 33 HG2 ARG 33 -2.857 -21.578 10.357 254 2HG ARG 33 HG1 ARG 33 -3.978 -20.282 9.933 255 1HD ARG 33 HD2 ARG 33 -5.756 -21.727 9.667 256 2HD ARG 33 HD1 ARG 33 -4.717 -23.113 9.345 257 HE ARG 33 HE ARG 33 -5.610 -22.173 11.909 258 1HH1 ARG 33 HH11 ARG 33 -3.149 -23.985 10.226 259 2HH1 ARG 33 HH12 ARG 33 -2.704 -24.914 11.618 260 1HH2 ARG 33 HH21 ARG 33 -5.026 -23.391 13.742 261 2HH2 ARG 33 HH22 ARG 33 -3.770 -24.577 13.615 262 H CYS 1 HN CYS 1 -16.440 -24.800 -4.171 263 HA CYS 1 HA CYS 1 -13.717 -23.865 -4.738 264 1HB CYS 1 HB2 CYS 1 -16.211 -22.157 -4.695 265 2HB CYS 1 HB1 CYS 1 -14.577 -21.505 -4.639 266 HG CYS 1 HG CYS 1 -15.821 -22.912 -7.112 267 H GLY 2 HN GLY 2 -13.346 -21.871 -3.089 268 1HA GLY 2 HA2 GLY 2 -13.737 -21.107 -0.834 269 2HA GLY 2 HA1 GLY 2 -14.360 -22.705 -0.451 270 H GLY 3 HN GLY 3 -11.452 -22.293 -2.333 271 1HA GLY 3 HA2 GLY 3 -9.938 -23.467 -0.097 272 2HA GLY 3 HA1 GLY 3 -9.512 -23.610 -1.795 273 H ASP 4 HN ASP 4 -8.087 -22.207 -2.637 274 HA ASP 4 HA ASP 4 -7.099 -20.087 -0.869 275 1HB ASP 4 HB2 ASP 4 -5.848 -21.328 -3.320 276 2HB ASP 4 HB1 ASP 4 -5.102 -20.095 -2.309 277 H ASN 5 HN ASN 5 -9.445 -20.130 -2.926 278 HA ASN 5 HA ASN 5 -8.940 -18.423 -5.041 279 1HB ASN 5 HB2 ASN 5 -11.121 -19.661 -4.406 280 2HB ASN 5 HB1 ASN 5 -11.482 -18.236 -3.436 281 1HD2 ASN 5 HD21 ASN 5 -10.130 -18.826 -6.668 282 2HD2 ASN 5 HD22 ASN 5 -11.195 -17.745 -7.494 283 H ILE 6 HN ILE 6 -9.255 -17.770 -1.656 284 HA ILE 6 HA ILE 6 -9.476 -14.915 -1.935 285 HB ILE 6 HB ILE 6 -8.720 -16.468 0.534 286 1HG1 ILE 6 HG12 ILE 6 -11.494 -15.624 0.412 287 2HG1 ILE 6 HG11 ILE 6 -11.105 -16.715 -0.913 288 1HG2 ILE 6 HG21 ILE 6 -10.098 -13.806 0.260 289 2HG2 ILE 6 HG22 ILE 6 -8.367 -14.011 0.532 290 3HG2 ILE 6 HG23 ILE 6 -9.524 -14.567 1.744 291 1HD1 ILE 6 HD11 ILE 6 -10.797 -17.238 2.030 292 2HD1 ILE 6 HD12 ILE 6 -10.188 -18.307 0.765 293 3HD1 ILE 6 HD13 ILE 6 -11.920 -18.007 0.908 294 H GLU 7 HN GLU 7 -6.978 -17.244 -1.039 295 HA GLU 7 HA GLU 7 -4.915 -15.482 -0.420 296 1HB GLU 7 HB2 GLU 7 -5.166 -18.183 -0.463 297 2HB GLU 7 HB1 GLU 7 -4.136 -17.937 -1.868 298 1HG GLU 7 HG2 GLU 7 -2.773 -16.433 -0.205 299 2HG GLU 7 HG1 GLU 7 -3.582 -17.426 1.007 300 H GLN 8 HN GLN 8 -6.239 -16.417 -3.484 301 HA GLN 8 HA GLN 8 -4.019 -15.453 -5.040 302 1HB GLN 8 HB2 GLN 8 -5.458 -17.246 -5.892 303 2HB GLN 8 HB1 GLN 8 -6.846 -16.168 -5.848 304 1HG GLN 8 HG2 GLN 8 -4.465 -15.371 -7.442 305 2HG GLN 8 HG1 GLN 8 -5.538 -16.619 -8.074 306 1HE2 GLN 8 HE21 GLN 8 -7.983 -15.852 -7.468 307 2HE2 GLN 8 HE22 GLN 8 -8.360 -14.305 -8.140 308 H LYS 9 HN LYS 9 -7.244 -14.316 -4.173 309 HA LYS 9 HA LYS 9 -7.254 -11.950 -5.665 310 1HB LYS 9 HB2 LYS 9 -8.725 -12.957 -3.283 311 2HB LYS 9 HB1 LYS 9 -8.794 -11.230 -3.605 312 1HG LYS 9 HG2 LYS 9 -9.604 -11.729 -5.888 313 2HG LYS 9 HG1 LYS 9 -9.629 -13.442 -5.468 314 1HD LYS 9 HD2 LYS 9 -11.059 -11.538 -3.686 315 2HD LYS 9 HD1 LYS 9 -11.785 -11.922 -5.249 316 1HE LYS 9 HE2 LYS 9 -11.109 -14.395 -4.384 317 2HE LYS 9 HE1 LYS 9 -11.447 -13.594 -2.850 318 1HZ LYS 9 HZ1 LYS 9 -13.632 -13.396 -3.327 319 2HZ LYS 9 HZ2 LYS 9 -13.324 -14.741 -4.306 320 3HZ LYS 9 HZ3 LYS 9 -13.384 -13.196 -4.989 321 H ILE 10 HN ILE 10 -5.981 -12.672 -2.454 322 HA ILE 10 HA ILE 10 -5.369 -9.975 -1.797 323 HB ILE 10 HB ILE 10 -3.795 -10.985 -0.116 324 1HG1 ILE 10 HG12 ILE 10 -5.066 -13.594 -0.958 325 2HG1 ILE 10 HG11 ILE 10 -3.432 -13.111 -1.400 326 1HG2 ILE 10 HG21 ILE 10 -6.393 -12.296 0.352 327 2HG2 ILE 10 HG22 ILE 10 -6.442 -10.572 -0.018 328 3HG2 ILE 10 HG23 ILE 10 -5.498 -11.153 1.355 329 1HD1 ILE 10 HD11 ILE 10 -4.474 -13.574 1.379 330 2HD1 ILE 10 HD12 ILE 10 -2.857 -12.991 0.989 331 3HD1 ILE 10 HD13 ILE 10 -3.360 -14.602 0.476 332 H ASP 11 HN ASP 11 -3.479 -12.628 -3.209 333 HA ASP 11 HA ASP 11 -0.963 -11.524 -3.237 334 1HB ASP 11 HB2 ASP 11 -2.423 -13.397 -5.024 335 2HB ASP 11 HB1 ASP 11 -0.946 -12.685 -5.664 336 H ASP 12 HN ASP 12 -3.729 -10.777 -5.227 337 HA ASP 12 HA ASP 12 -2.389 -9.107 -7.099 338 1HB ASP 12 HB2 ASP 12 -4.838 -10.154 -7.083 339 2HB ASP 12 HB1 ASP 12 -5.241 -8.593 -6.371 340 H ILE 13 HN ILE 13 -4.224 -8.477 -4.135 341 HA ILE 13 HA ILE 13 -3.943 -5.686 -4.106 342 HB ILE 13 HB ILE 13 -4.088 -7.484 -1.681 343 1HG1 ILE 13 HG12 ILE 13 -6.318 -6.345 -3.384 344 2HG1 ILE 13 HG11 ILE 13 -5.890 -8.046 -3.233 345 1HG2 ILE 13 HG21 ILE 13 -5.476 -4.923 -1.613 346 2HG2 ILE 13 HG22 ILE 13 -3.734 -4.760 -1.833 347 3HG2 ILE 13 HG23 ILE 13 -4.368 -5.644 -0.445 348 1HD1 ILE 13 HD11 ILE 13 -7.564 -8.048 -1.743 349 2HD1 ILE 13 HD12 ILE 13 -7.438 -6.316 -1.437 350 3HD1 ILE 13 HD13 ILE 13 -6.323 -7.433 -0.650 351 H ASP 14 HN ASP 14 -1.960 -8.234 -2.611 352 HA ASP 14 HA ASP 14 -0.113 -6.728 -1.254 353 1HB ASP 14 HB2 ASP 14 -0.364 -9.353 -1.703 354 2HB ASP 14 HB1 ASP 14 0.946 -9.018 -2.832 355 H HIS 15 HN HIS 15 -0.375 -7.247 -4.705 356 HA HIS 15 HA HIS 15 2.192 -6.135 -5.333 357 1HB HIS 15 HB2 HIS 15 0.770 -7.748 -6.759 358 2HB HIS 15 HB1 HIS 15 -0.131 -6.314 -7.239 359 HD1 HIS 15 HD1 HIS 15 3.115 -5.060 -6.916 360 HD2 HIS 15 HD2 HIS 15 1.286 -7.528 -9.714 361 HE1 HIS 15 HE1 HIS 15 4.543 -4.908 -8.981 362 HE2 HIS 15 HE2 HIS 15 3.466 -6.478 -10.630 363 H GLU 16 HN GLU 16 -1.028 -4.932 -4.844 364 HA GLU 16 HA GLU 16 -0.447 -2.346 -5.997 365 1HB GLU 16 HB2 GLU 16 -2.854 -3.047 -4.330 366 2HB GLU 16 HB1 GLU 16 -2.708 -1.796 -5.559 367 1HG GLU 16 HG2 GLU 16 -2.761 -3.359 -7.308 368 2HG GLU 16 HG1 GLU 16 -2.455 -4.711 -6.218 369 H ILE 17 HN ILE 17 -0.681 -3.817 -2.831 370 HA ILE 17 HA ILE 17 -0.675 -1.480 -1.267 371 HB ILE 17 HB ILE 17 0.533 -4.137 -0.493 372 1HG1 ILE 17 HG12 ILE 17 -2.285 -3.388 0.155 373 2HG1 ILE 17 HG11 ILE 17 -1.933 -4.025 -1.445 374 1HG2 ILE 17 HG21 ILE 17 -0.081 -1.648 0.914 375 2HG2 ILE 17 HG22 ILE 17 1.023 -2.954 1.345 376 3HG2 ILE 17 HG23 ILE 17 -0.698 -3.097 1.709 377 1HD1 ILE 17 HD11 ILE 17 -0.659 -5.725 0.392 378 2HD1 ILE 17 HD12 ILE 17 -2.071 -6.063 -0.608 379 3HD1 ILE 17 HD13 ILE 17 -2.278 -5.416 1.019 380 H ALA 18 HN ALA 18 1.868 -3.338 -2.791 381 HA ALA 18 HA ALA 18 4.007 -1.951 -1.444 382 1HB ALA 18 HB1 ALA 18 3.741 -4.253 -3.179 383 2HB ALA 18 HB2 ALA 18 4.999 -3.863 -2.006 384 3HB ALA 18 HB3 ALA 18 5.100 -3.232 -3.649 385 H ASP 19 HN ASP 19 2.392 -1.798 -4.572 386 HA ASP 19 HA ASP 19 4.145 -0.162 -5.964 387 1HB ASP 19 HB2 ASP 19 1.980 -1.278 -6.777 388 2HB ASP 19 HB1 ASP 19 1.152 0.142 -6.145 389 H LEU 20 HN LEU 20 1.530 0.751 -3.751 390 HA LEU 20 HA LEU 20 1.893 3.548 -4.041 391 1HB LEU 20 HB2 LEU 20 0.754 2.234 -1.597 392 2HB LEU 20 HB1 LEU 20 0.358 3.801 -2.276 393 HG LEU 20 HG LEU 20 -0.475 1.086 -3.254 394 1HD1 LEU 20 HD11 LEU 20 -1.852 3.536 -2.227 395 2HD1 LEU 20 HD12 LEU 20 -2.005 1.862 -1.695 396 3HD1 LEU 20 HD13 LEU 20 -2.708 2.366 -3.231 397 1HD2 LEU 20 HD21 LEU 20 -1.642 2.826 -4.994 398 2HD2 LEU 20 HD22 LEU 20 -0.213 1.854 -5.344 399 3HD2 LEU 20 HD23 LEU 20 -0.033 3.525 -4.813 400 H GLN 21 HN GLN 21 2.902 1.263 -1.507 401 HA GLN 21 HA GLN 21 4.201 3.015 0.184 402 1HB GLN 21 HB2 GLN 21 3.780 0.488 0.438 403 2HB GLN 21 HB1 GLN 21 5.301 0.280 -0.419 404 1HG GLN 21 HG2 GLN 21 6.160 1.959 1.431 405 2HG GLN 21 HG1 GLN 21 4.784 1.302 2.316 406 1HE2 GLN 21 HE21 GLN 21 5.007 -0.595 3.304 407 2HE2 GLN 21 HE22 GLN 21 6.353 -1.662 3.127 408 H ALA 22 HN ALA 22 5.267 1.719 -2.879 409 HA ALA 22 HA ALA 22 8.001 2.507 -2.602 410 1HB ALA 22 HB1 ALA 22 6.309 1.375 -4.745 411 2HB ALA 22 HB2 ALA 22 7.904 0.882 -4.177 412 3HB ALA 22 HB3 ALA 22 7.740 2.271 -5.254 413 H LYS 23 HN LYS 23 5.091 3.990 -3.871 414 HA LYS 23 HA LYS 23 6.380 6.153 -5.191 415 1HB LYS 23 HB2 LYS 23 3.552 5.910 -4.151 416 2HB LYS 23 HB1 LYS 23 4.128 7.181 -5.221 417 1HG LYS 23 HG2 LYS 23 4.101 5.852 -7.039 418 2HG LYS 23 HG1 LYS 23 4.599 4.421 -6.136 419 1HD LYS 23 HD2 LYS 23 2.492 3.711 -6.121 420 2HD LYS 23 HD1 LYS 23 2.021 5.151 -5.215 421 1HE LYS 23 HE2 LYS 23 0.668 5.092 -7.162 422 2HE LYS 23 HE1 LYS 23 1.870 6.357 -7.415 423 1HZ LYS 23 HZ1 LYS 23 1.803 3.647 -8.605 424 2HZ LYS 23 HZ2 LYS 23 3.190 4.614 -8.639 425 3HZ LYS 23 HZ3 LYS 23 1.775 5.139 -9.402 426 H ARG 24 HN ARG 24 5.241 5.614 -1.922 427 HA ARG 24 HA ARG 24 5.417 8.334 -1.084 428 1HB ARG 24 HB2 ARG 24 4.012 6.729 0.100 429 2HB ARG 24 HB1 ARG 24 5.424 5.772 0.524 430 1HG ARG 24 HG2 ARG 24 5.978 7.112 2.233 431 2HG ARG 24 HG1 ARG 24 5.553 8.582 1.355 432 1HD ARG 24 HD2 ARG 24 3.106 7.503 1.716 433 2HD ARG 24 HD1 ARG 24 3.929 6.906 3.156 434 HE ARG 24 HE ARG 24 3.122 9.598 2.625 435 1HH1 ARG 24 HH11 ARG 24 5.455 7.632 4.319 436 2HH1 ARG 24 HH12 ARG 24 5.778 8.833 5.524 437 1HH2 ARG 24 HH21 ARG 24 3.547 11.178 4.208 438 2HH2 ARG 24 HH22 ARG 24 4.695 10.846 5.462 439 H THR 25 HN THR 25 7.602 5.556 -0.931 440 HA THR 25 HA THR 25 9.598 6.780 0.644 441 HB THR 25 HB THR 25 10.476 4.802 -1.359 442 HG1 THR 25 HG1 THR 25 8.566 4.118 0.622 443 1HG2 THR 25 HG21 THR 25 10.993 3.645 0.961 444 2HG2 THR 25 HG22 THR 25 10.856 5.309 1.527 445 3HG2 THR 25 HG23 THR 25 12.031 4.897 0.278 446 H ARG 26 HN ARG 26 9.485 6.243 -2.887 447 HA ARG 26 HA ARG 26 11.814 7.505 -3.606 448 1HB ARG 26 HB2 ARG 26 10.831 7.864 -5.796 449 2HB ARG 26 HB1 ARG 26 10.341 6.295 -5.175 450 1HG ARG 26 HG2 ARG 26 8.170 7.200 -4.554 451 2HG ARG 26 HG1 ARG 26 8.660 8.793 -5.137 452 1HD ARG 26 HD2 ARG 26 8.840 6.458 -6.980 453 2HD ARG 26 HD1 ARG 26 7.260 7.166 -6.655 454 HE ARG 26 HE ARG 26 9.417 8.331 -8.179 455 1HH1 ARG 26 HH11 ARG 26 6.448 8.933 -6.441 456 2HH1 ARG 26 HH12 ARG 26 6.117 10.414 -7.273 457 1HH2 ARG 26 HH21 ARG 26 8.980 10.281 -9.271 458 2HH2 ARG 26 HH22 ARG 26 7.553 11.180 -8.878 459 H LEU 27 HN LEU 27 8.659 8.962 -2.979 460 HA LEU 27 HA LEU 27 9.364 11.604 -3.666 461 1HB LEU 27 HB2 LEU 27 7.166 10.280 -2.219 462 2HB LEU 27 HB1 LEU 27 7.475 11.935 -1.727 463 HG LEU 27 HG LEU 27 7.441 12.260 -4.403 464 1HD1 LEU 27 HD11 LEU 27 6.925 9.858 -4.740 465 2HD1 LEU 27 HD12 LEU 27 5.697 10.943 -5.395 466 3HD1 LEU 27 HD13 LEU 27 5.409 10.101 -3.872 467 1HD2 LEU 27 HD21 LEU 27 5.953 13.090 -2.290 468 2HD2 LEU 27 HD22 LEU 27 4.751 12.206 -3.231 469 3HD2 LEU 27 HD23 LEU 27 5.644 13.536 -3.969 470 H VAL 28 HN VAL 28 9.614 9.745 -0.677 471 HA VAL 28 HA VAL 28 10.371 11.852 1.029 472 HB VAL 28 HB VAL 28 11.265 8.978 1.215 473 1HG1 VAL 28 HG11 VAL 28 11.197 9.572 3.706 474 2HG1 VAL 28 HG12 VAL 28 11.183 11.252 3.169 475 3HG1 VAL 28 HG13 VAL 28 12.537 10.204 2.747 476 1HG2 VAL 28 HG21 VAL 28 9.089 9.619 2.962 477 2HG2 VAL 28 HG22 VAL 28 9.183 8.378 1.713 478 3HG2 VAL 28 HG23 VAL 28 8.643 10.004 1.300 479 H GLN 29 HN GLN 29 12.270 9.634 -0.970 480 HA GLN 29 HA GLN 29 14.829 10.400 -0.235 481 1HB GLN 29 HB2 GLN 29 13.590 9.087 -2.537 482 2HB GLN 29 HB1 GLN 29 15.031 9.997 -2.970 483 1HG GLN 29 HG2 GLN 29 16.134 8.150 -2.400 484 2HG GLN 29 HG1 GLN 29 15.864 8.679 -0.740 485 1HE2 GLN 29 HE21 GLN 29 15.723 6.707 0.202 486 2HE2 GLN 29 HE22 GLN 29 14.471 5.564 -0.131 487 H GLN 30 HN GLN 30 12.471 11.995 -2.243 488 HA GLN 30 HA GLN 30 14.232 13.940 -3.357 489 1HB GLN 30 HB2 GLN 30 11.891 13.219 -4.178 490 2HB GLN 30 HB1 GLN 30 11.275 14.335 -2.968 491 1HG GLN 30 HG2 GLN 30 12.032 16.186 -4.084 492 2HG GLN 30 HG1 GLN 30 13.316 15.300 -4.905 493 1HE2 GLN 30 HE21 GLN 30 12.870 14.211 -6.795 494 2HE2 GLN 30 HE22 GLN 30 11.398 14.424 -7.674 495 H HIS 31 HN HIS 31 12.372 13.671 -0.404 496 HA HIS 31 HA HIS 31 13.664 16.115 0.552 497 1HB HIS 31 HB2 HIS 31 11.616 16.963 1.560 498 2HB HIS 31 HB1 HIS 31 11.412 16.790 -0.180 499 HD1 HIS 31 HD1 HIS 31 10.348 14.208 -0.736 500 HD2 HIS 31 HD2 HIS 31 9.432 16.065 2.860 501 HE1 HIS 31 HE1 HIS 31 8.228 13.127 0.059 502 HE2 HIS 31 HE2 HIS 31 7.838 14.103 2.345 503 HA PRO 32 HA PRO 32 13.839 12.580 3.579 504 1HB PRO 32 HB2 PRO 32 16.513 12.638 3.968 505 2HB PRO 32 HB1 PRO 32 15.768 11.745 2.637 506 1HG PRO 32 HG2 PRO 32 17.068 14.442 2.615 507 2HG PRO 32 HG1 PRO 32 17.221 13.118 1.446 508 1HD PRO 32 HD2 PRO 32 15.609 15.267 1.041 509 2HD PRO 32 HD1 PRO 32 15.249 13.656 0.390 510 H ARG 33 HN ARG 33 15.235 15.794 3.515 511 HA ARG 33 HA ARG 33 14.983 15.921 6.449 512 1HB ARG 33 HB2 ARG 33 16.719 17.672 6.404 513 2HB ARG 33 HB1 ARG 33 17.306 16.141 5.770 514 1HG ARG 33 HG2 ARG 33 16.384 17.432 3.522 515 2HG ARG 33 HG1 ARG 33 17.086 18.735 4.481 516 1HD ARG 33 HD2 ARG 33 18.964 16.764 4.729 517 2HD ARG 33 HD1 ARG 33 18.381 16.511 3.085 518 HE ARG 33 HE ARG 33 19.417 18.449 2.459 519 1HH1 ARG 33 HH11 ARG 33 19.150 18.396 5.938 520 2HH1 ARG 33 HH12 ARG 33 20.122 19.813 6.159 521 1HH2 ARG 33 HH21 ARG 33 20.695 20.312 2.747 522 2HH2 ARG 33 HH22 ARG 33 20.997 20.901 4.347 Start of MODEL 3 1 H CYS 1 HT1 CYS 1 10.998 28.693 -4.140 2 HA CYS 1 HA CYS 1 11.901 27.413 -2.215 3 1HB CYS 1 HB2 CYS 1 9.751 29.491 -2.219 4 2HB CYS 1 HB1 CYS 1 10.306 28.858 -0.672 5 HG CYS 1 HG CYS 1 12.414 30.120 -0.889 6 H GLY 2 HN GLY 2 9.984 25.550 -3.450 7 1HA GLY 2 HA2 GLY 2 7.889 24.879 -1.710 8 2HA GLY 2 HA1 GLY 2 8.671 23.774 -2.829 9 H GLY 3 HN GLY 3 7.969 24.271 0.342 10 1HA GLY 3 HA2 GLY 3 10.419 23.043 1.373 11 2HA GLY 3 HA1 GLY 3 9.115 23.719 2.338 12 H ASP 4 HN ASP 4 7.053 22.506 2.343 13 HA ASP 4 HA ASP 4 7.610 19.622 2.362 14 1HB ASP 4 HB2 ASP 4 5.425 21.193 3.729 15 2HB ASP 4 HB1 ASP 4 5.667 19.454 3.863 16 H ASN 5 HN ASN 5 6.626 21.507 0.102 17 HA ASN 5 HA ASN 5 4.024 20.922 -0.631 18 1HB ASN 5 HB2 ASN 5 6.267 22.130 -1.847 19 2HB ASN 5 HB1 ASN 5 5.719 20.885 -2.965 20 1HD2 ASN 5 HD21 ASN 5 2.988 20.957 -2.377 21 2HD2 ASN 5 HD22 ASN 5 2.349 22.461 -2.940 22 H ILE 6 HN ILE 6 6.887 18.978 -0.749 23 HA ILE 6 HA ILE 6 5.726 16.907 -2.388 24 HB ILE 6 HB ILE 6 8.223 16.735 -0.712 25 1HG1 ILE 6 HG12 ILE 6 8.023 17.624 -3.597 26 2HG1 ILE 6 HG11 ILE 6 8.237 18.724 -2.239 27 1HG2 ILE 6 HG21 ILE 6 8.884 15.019 -2.273 28 2HG2 ILE 6 HG22 ILE 6 7.432 15.292 -3.235 29 3HG2 ILE 6 HG23 ILE 6 7.299 14.633 -1.605 30 1HD1 ILE 6 HD11 ILE 6 10.241 17.622 -3.716 31 2HD1 ILE 6 HD12 ILE 6 10.189 16.560 -2.310 32 3HD1 ILE 6 HD13 ILE 6 10.418 18.296 -2.097 33 H GLU 7 HN GLU 7 6.582 17.390 1.006 34 HA GLU 7 HA GLU 7 5.910 14.897 2.022 35 1HB GLU 7 HB2 GLU 7 6.964 16.998 3.165 36 2HB GLU 7 HB1 GLU 7 5.298 17.389 3.568 37 1HG GLU 7 HG2 GLU 7 5.590 16.143 5.379 38 2HG GLU 7 HG1 GLU 7 5.509 14.750 4.303 39 H GLN 8 HN GLN 8 3.885 17.482 0.934 40 HA GLN 8 HA GLN 8 1.497 16.572 2.231 41 1HB GLN 8 HB2 GLN 8 1.938 18.943 1.478 42 2HB GLN 8 HB1 GLN 8 1.720 18.384 -0.176 43 1HG GLN 8 HG2 GLN 8 -0.507 17.495 1.324 44 2HG GLN 8 HG1 GLN 8 -0.242 19.195 1.711 45 1HE2 GLN 8 HE21 GLN 8 -1.012 16.904 -0.786 46 2HE2 GLN 8 HE22 GLN 8 -1.564 18.053 -1.953 47 H LYS 9 HN LYS 9 2.890 16.325 -1.000 48 HA LYS 9 HA LYS 9 0.773 14.970 -2.237 49 1HB LYS 9 HB2 LYS 9 3.028 16.012 -3.170 50 2HB LYS 9 HB1 LYS 9 3.582 14.350 -3.022 51 1HG LYS 9 HG2 LYS 9 1.528 13.707 -4.374 52 2HG LYS 9 HG1 LYS 9 1.362 15.428 -4.727 53 1HD LYS 9 HD2 LYS 9 3.126 15.438 -6.134 54 2HD LYS 9 HD1 LYS 9 4.054 14.313 -5.140 55 1HE LYS 9 HE2 LYS 9 3.652 12.923 -6.880 56 2HE LYS 9 HE1 LYS 9 2.146 12.650 -6.005 57 1HZ LYS 9 HZ1 LYS 9 0.967 14.000 -7.457 58 2HZ LYS 9 HZ2 LYS 9 2.027 13.179 -8.489 59 3HZ LYS 9 HZ3 LYS 9 2.353 14.777 -8.042 60 H ILE 10 HN ILE 10 3.607 13.762 -0.489 61 HA ILE 10 HA ILE 10 3.069 11.022 -0.967 62 HB ILE 10 HB ILE 10 4.513 10.628 1.067 63 1HG1 ILE 10 HG12 ILE 10 5.056 13.591 0.849 64 2HG1 ILE 10 HG11 ILE 10 4.032 12.875 2.090 65 1HG2 ILE 10 HG21 ILE 10 5.608 12.276 -1.205 66 2HG2 ILE 10 HG22 ILE 10 5.396 10.525 -1.179 67 3HG2 ILE 10 HG23 ILE 10 6.573 11.286 -0.110 68 1HD1 ILE 10 HD11 ILE 10 6.133 13.186 3.080 69 2HD1 ILE 10 HD12 ILE 10 6.979 12.519 1.684 70 3HD1 ILE 10 HD13 ILE 10 6.026 11.461 2.725 71 H ASP 11 HN ASP 11 2.226 13.212 1.698 72 HA ASP 11 HA ASP 11 1.164 11.440 3.513 73 1HB ASP 11 HB2 ASP 11 1.264 14.118 3.410 74 2HB ASP 11 HB1 ASP 11 -0.430 13.899 2.984 75 H ASP 12 HN ASP 12 -0.176 12.598 0.506 76 HA ASP 12 HA ASP 12 -2.790 11.534 0.836 77 1HB ASP 12 HB2 ASP 12 -1.189 12.644 -1.402 78 2HB ASP 12 HB1 ASP 12 -2.499 11.557 -1.853 79 H ILE 13 HN ILE 13 0.147 10.357 -0.752 80 HA ILE 13 HA ILE 13 -0.889 7.905 -1.652 81 HB ILE 13 HB ILE 13 1.964 8.452 -0.823 82 1HG1 ILE 13 HG12 ILE 13 0.590 8.915 -3.480 83 2HG1 ILE 13 HG11 ILE 13 1.202 10.161 -2.397 84 1HG2 ILE 13 HG21 ILE 13 1.553 6.714 -3.100 85 2HG2 ILE 13 HG22 ILE 13 0.751 6.098 -1.656 86 3HG2 ILE 13 HG23 ILE 13 2.480 6.441 -1.625 87 1HD1 ILE 13 HD11 ILE 13 2.557 8.755 -4.465 88 2HD1 ILE 13 HD12 ILE 13 3.347 8.420 -2.924 89 3HD1 ILE 13 HD13 ILE 13 3.132 10.085 -3.461 90 H ASP 14 HN ASP 14 0.853 8.755 1.332 91 HA ASP 14 HA ASP 14 1.081 6.302 2.530 92 1HB ASP 14 HB2 ASP 14 1.594 8.823 3.329 93 2HB ASP 14 HB1 ASP 14 0.162 8.495 4.300 94 H HIS 15 HN HIS 15 -1.791 8.254 2.139 95 HA HIS 15 HA HIS 15 -3.398 6.705 3.946 96 1HB HIS 15 HB2 HIS 15 -3.711 9.173 3.083 97 2HB HIS 15 HB1 HIS 15 -4.574 8.385 1.765 98 HD1 HIS 15 HD1 HIS 15 -5.466 6.189 4.214 99 HD2 HIS 15 HD2 HIS 15 -6.379 10.207 3.672 100 HE1 HIS 15 HE1 HIS 15 -7.576 6.582 5.525 101 HE2 HIS 15 HE2 HIS 15 -8.058 9.041 5.257 102 H GLU 16 HN GLU 16 -2.578 6.620 0.566 103 HA GLU 16 HA GLU 16 -4.667 4.735 -0.091 104 1HB GLU 16 HB2 GLU 16 -2.311 5.441 -1.827 105 2HB GLU 16 HB1 GLU 16 -3.898 4.869 -2.325 106 1HG GLU 16 HG2 GLU 16 -3.610 7.480 -0.901 107 2HG GLU 16 HG1 GLU 16 -3.283 7.359 -2.630 108 H ILE 17 HN ILE 17 -1.258 4.703 0.656 109 HA ILE 17 HA ILE 17 -0.659 2.082 -0.192 110 HB ILE 17 HB ILE 17 0.645 3.562 2.096 111 1HG1 ILE 17 HG12 ILE 17 1.708 3.623 -0.696 112 2HG1 ILE 17 HG11 ILE 17 0.402 4.721 -0.267 113 1HG2 ILE 17 HG21 ILE 17 2.601 2.187 0.813 114 2HG2 ILE 17 HG22 ILE 17 1.226 1.102 0.605 115 3HG2 ILE 17 HG23 ILE 17 1.724 1.596 2.224 116 1HD1 ILE 17 HD11 ILE 17 2.314 4.920 1.778 117 2HD1 ILE 17 HD12 ILE 17 1.911 6.113 0.544 118 3HD1 ILE 17 HD13 ILE 17 3.198 4.943 0.251 119 H ALA 18 HN ALA 18 -1.948 3.416 2.787 120 HA ALA 18 HA ALA 18 -1.813 0.947 4.248 121 1HB ALA 18 HB1 ALA 18 -1.791 2.583 5.796 122 2HB ALA 18 HB2 ALA 18 -3.547 2.458 5.672 123 3HB ALA 18 HB3 ALA 18 -2.686 3.707 4.773 124 H ASP 19 HN ASP 19 -4.243 2.671 2.378 125 HA ASP 19 HA ASP 19 -6.536 1.319 3.168 126 1HB ASP 19 HB2 ASP 19 -6.009 3.259 1.349 127 2HB ASP 19 HB1 ASP 19 -6.311 1.896 0.275 128 H LEU 20 HN LEU 20 -4.234 0.485 0.594 129 HA LEU 20 HA LEU 20 -5.546 -1.864 -0.245 130 1HB LEU 20 HB2 LEU 20 -2.576 -1.491 -0.400 131 2HB LEU 20 HB1 LEU 20 -3.633 -2.334 -1.517 132 HG LEU 20 HG LEU 20 -3.265 0.631 -1.187 133 1HD1 LEU 20 HD11 LEU 20 -2.845 -1.356 -3.395 134 2HD1 LEU 20 HD12 LEU 20 -1.680 -0.254 -2.663 135 3HD1 LEU 20 HD13 LEU 20 -2.956 0.376 -3.703 136 1HD2 LEU 20 HD21 LEU 20 -5.468 0.835 -1.568 137 2HD2 LEU 20 HD22 LEU 20 -5.633 -0.840 -2.096 138 3HD2 LEU 20 HD23 LEU 20 -5.053 0.387 -3.223 139 H GLN 21 HN GLN 21 -2.759 -1.408 1.924 140 HA GLN 21 HA GLN 21 -2.228 -4.020 2.582 141 1HB GLN 21 HB2 GLN 21 -1.158 -1.751 3.376 142 2HB GLN 21 HB1 GLN 21 -2.224 -1.967 4.757 143 1HG GLN 21 HG2 GLN 21 -1.205 -4.106 5.249 144 2HG GLN 21 HG1 GLN 21 -0.181 -3.969 3.819 145 1HE2 GLN 21 HE21 GLN 21 0.337 -4.125 6.790 146 2HE2 GLN 21 HE22 GLN 21 1.416 -2.812 7.101 147 H ALA 22 HN ALA 22 -4.891 -2.028 3.625 148 HA ALA 22 HA ALA 22 -5.734 -3.713 5.769 149 1HB ALA 22 HB1 ALA 22 -7.321 -2.155 6.154 150 2HB ALA 22 HB2 ALA 22 -7.749 -2.016 4.449 151 3HB ALA 22 HB3 ALA 22 -6.325 -1.182 5.071 152 H LYS 23 HN LYS 23 -6.512 -3.457 2.348 153 HA LYS 23 HA LYS 23 -8.727 -5.220 2.373 154 1HB LYS 23 HB2 LYS 23 -6.902 -4.786 0.017 155 2HB LYS 23 HB1 LYS 23 -8.614 -5.179 0.005 156 1HG LYS 23 HG2 LYS 23 -7.341 -2.568 0.779 157 2HG LYS 23 HG1 LYS 23 -8.377 -2.895 -0.611 158 1HD LYS 23 HD2 LYS 23 -10.276 -3.252 0.807 159 2HD LYS 23 HD1 LYS 23 -9.270 -3.172 2.255 160 1HE LYS 23 HE2 LYS 23 -8.686 -0.795 1.111 161 2HE LYS 23 HE1 LYS 23 -10.350 -1.010 0.570 162 1HZ LYS 23 HZ1 LYS 23 -10.993 -1.357 2.894 163 2HZ LYS 23 HZ2 LYS 23 -10.298 0.167 2.655 164 3HZ LYS 23 HZ3 LYS 23 -9.398 -1.066 3.383 165 H ARG 24 HN ARG 24 -5.268 -5.707 2.104 166 HA ARG 24 HA ARG 24 -5.408 -8.423 1.252 167 1HB ARG 24 HB2 ARG 24 -3.418 -7.040 0.878 168 2HB ARG 24 HB1 ARG 24 -3.164 -6.922 2.614 169 1HG ARG 24 HG2 ARG 24 -2.134 -8.893 2.704 170 2HG ARG 24 HG1 ARG 24 -3.358 -9.674 1.701 171 1HD ARG 24 HD2 ARG 24 -2.187 -8.284 -0.208 172 2HD ARG 24 HD1 ARG 24 -0.825 -8.324 0.910 173 HE ARG 24 HE ARG 24 -1.768 -10.466 -0.697 174 1HH1 ARG 24 HH11 ARG 24 -0.353 -9.758 2.413 175 2HH1 ARG 24 HH12 ARG 24 0.387 -11.315 2.570 176 1HH2 ARG 24 HH21 ARG 24 -0.798 -12.515 -0.492 177 2HH2 ARG 24 HH22 ARG 24 0.135 -12.881 0.921 178 H THR 25 HN THR 25 -5.004 -6.853 4.402 179 HA THR 25 HA THR 25 -4.610 -9.200 5.907 180 HB THR 25 HB THR 25 -6.035 -6.959 7.203 181 HG1 THR 25 HG1 THR 25 -3.433 -6.626 6.131 182 1HG2 THR 25 HG21 THR 25 -3.547 -8.522 7.795 183 2HG2 THR 25 HG22 THR 25 -5.076 -8.518 8.674 184 3HG2 THR 25 HG23 THR 25 -4.030 -7.100 8.718 185 H ARG 26 HN ARG 26 -7.567 -7.246 5.473 186 HA ARG 26 HA ARG 26 -9.333 -8.768 6.924 187 1HB ARG 26 HB2 ARG 26 -11.105 -7.882 5.473 188 2HB ARG 26 HB1 ARG 26 -9.949 -6.634 5.915 189 1HG ARG 26 HG2 ARG 26 -8.861 -6.891 3.728 190 2HG ARG 26 HG1 ARG 26 -10.070 -8.098 3.287 191 1HD ARG 26 HD2 ARG 26 -11.786 -6.261 3.859 192 2HD ARG 26 HD1 ARG 26 -10.417 -5.156 3.739 193 HE ARG 26 HE ARG 26 -10.282 -6.549 1.428 194 1HH1 ARG 26 HH11 ARG 26 -12.859 -4.803 3.007 195 2HH1 ARG 26 HH12 ARG 26 -13.643 -4.371 1.524 196 1HH2 ARG 26 HH21 ARG 26 -11.312 -5.981 -0.523 197 2HH2 ARG 26 HH22 ARG 26 -12.765 -5.041 -0.480 198 H LEU 27 HN LEU 27 -8.335 -9.212 3.560 199 HA LEU 27 HA LEU 27 -9.991 -11.408 2.986 200 1HB LEU 27 HB2 LEU 27 -7.630 -10.139 1.788 201 2HB LEU 27 HB1 LEU 27 -7.750 -11.860 1.469 202 HG LEU 27 HG LEU 27 -9.960 -11.557 0.486 203 1HD1 LEU 27 HD11 LEU 27 -10.527 -9.045 0.009 204 2HD1 LEU 27 HD12 LEU 27 -9.589 -8.775 1.478 205 3HD1 LEU 27 HD13 LEU 27 -11.017 -9.808 1.522 206 1HD2 LEU 27 HD21 LEU 27 -7.629 -10.007 -0.532 207 2HD2 LEU 27 HD22 LEU 27 -9.175 -9.874 -1.372 208 3HD2 LEU 27 HD23 LEU 27 -8.403 -11.450 -1.191 209 H VAL 28 HN VAL 28 -6.802 -11.157 4.466 210 HA VAL 28 HA VAL 28 -6.197 -13.913 4.515 211 HB VAL 28 HB VAL 28 -5.331 -11.846 6.533 212 1HG1 VAL 28 HG11 VAL 28 -4.928 -14.224 7.124 213 2HG1 VAL 28 HG12 VAL 28 -3.448 -13.282 6.939 214 3HG1 VAL 28 HG13 VAL 28 -3.959 -14.382 5.660 215 1HG2 VAL 28 HG21 VAL 28 -3.344 -12.410 4.552 216 2HG2 VAL 28 HG22 VAL 28 -4.077 -10.865 4.982 217 3HG2 VAL 28 HG23 VAL 28 -4.830 -11.889 3.761 218 H GLN 29 HN GLN 29 -7.795 -11.778 6.840 219 HA GLN 29 HA GLN 29 -8.165 -13.543 8.942 220 1HB GLN 29 HB2 GLN 29 -10.040 -11.389 7.943 221 2HB GLN 29 HB1 GLN 29 -10.170 -12.180 9.508 222 1HG GLN 29 HG2 GLN 29 -7.605 -10.864 8.781 223 2HG GLN 29 HG1 GLN 29 -8.979 -9.861 9.243 224 1HE2 GLN 29 HE21 GLN 29 -6.502 -10.144 10.641 225 2HE2 GLN 29 HE22 GLN 29 -6.865 -10.788 12.201 226 H GLN 30 HN GLN 30 -9.708 -13.386 5.842 227 HA GLN 30 HA GLN 30 -11.906 -15.105 6.511 228 1HB GLN 30 HB2 GLN 30 -11.727 -13.366 4.588 229 2HB GLN 30 HB1 GLN 30 -10.895 -14.649 3.719 230 1HG GLN 30 HG2 GLN 30 -12.838 -16.091 3.954 231 2HG GLN 30 HG1 GLN 30 -13.672 -14.834 4.866 232 1HE2 GLN 30 HE21 GLN 30 -14.928 -13.500 3.772 233 2HE2 GLN 30 HE22 GLN 30 -14.899 -13.254 2.063 234 H HIS 31 HN HIS 31 -8.642 -15.498 5.304 235 HA HIS 31 HA HIS 31 -8.988 -18.399 5.528 236 1HB HIS 31 HB2 HIS 31 -7.797 -18.841 3.473 237 2HB HIS 31 HB1 HIS 31 -9.176 -17.806 3.125 238 HD1 HIS 31 HD1 HIS 31 -8.340 -15.080 3.294 239 HD2 HIS 31 HD2 HIS 31 -5.629 -17.992 2.115 240 HE1 HIS 31 HE1 HIS 31 -6.552 -13.861 2.025 241 HE2 HIS 31 HE2 HIS 31 -4.814 -15.613 1.533 242 HA PRO 32 HA PRO 32 -5.049 -16.785 7.463 243 1HB PRO 32 HB2 PRO 32 -5.649 -17.085 10.056 244 2HB PRO 32 HB1 PRO 32 -6.160 -15.654 9.150 245 1HG PRO 32 HG2 PRO 32 -7.738 -18.079 9.912 246 2HG PRO 32 HG1 PRO 32 -8.223 -16.375 9.933 247 1HD PRO 32 HD2 PRO 32 -8.866 -18.152 7.929 248 2HD PRO 32 HD1 PRO 32 -8.793 -16.393 7.721 249 H ARG 33 HN ARG 33 -7.097 -19.546 8.205 250 HA ARG 33 HA ARG 33 -4.894 -21.116 9.228 251 1HB ARG 33 HB2 ARG 33 -7.693 -22.030 8.552 252 2HB ARG 33 HB1 ARG 33 -6.523 -22.864 9.568 253 1HG ARG 33 HG2 ARG 33 -7.043 -21.649 11.370 254 2HG ARG 33 HG1 ARG 33 -7.135 -20.145 10.452 255 1HD ARG 33 HD2 ARG 33 -9.360 -20.371 10.046 256 2HD ARG 33 HD1 ARG 33 -9.284 -22.131 10.000 257 HE ARG 33 HE ARG 33 -9.734 -22.180 12.246 258 1HH1 ARG 33 HH11 ARG 33 -8.854 -18.929 11.333 259 2HH1 ARG 33 HH12 ARG 33 -9.294 -18.247 12.863 260 1HH2 ARG 33 HH21 ARG 33 -10.312 -21.285 14.259 261 2HH2 ARG 33 HH22 ARG 33 -10.120 -19.584 14.525 262 H CYS 1 HN CYS 1 -16.695 -24.554 -0.136 263 HA CYS 1 HA CYS 1 -16.506 -25.942 -2.694 264 1HB CYS 1 HB2 CYS 1 -17.709 -23.354 -1.783 265 2HB CYS 1 HB1 CYS 1 -17.335 -23.581 -3.487 266 HG CYS 1 HG CYS 1 -19.121 -25.742 -2.233 267 H GLY 2 HN GLY 2 -15.349 -22.852 -1.323 268 1HA GLY 2 HA2 GLY 2 -13.243 -22.783 -3.354 269 2HA GLY 2 HA1 GLY 2 -13.692 -21.465 -2.280 270 H GLY 3 HN GLY 3 -11.044 -22.130 -2.693 271 1HA GLY 3 HA2 GLY 3 -10.325 -23.172 -0.028 272 2HA GLY 3 HA1 GLY 3 -9.463 -23.709 -1.463 273 H ASP 4 HN ASP 4 -7.970 -22.358 -2.440 274 HA ASP 4 HA ASP 4 -7.025 -20.181 -0.745 275 1HB ASP 4 HB2 ASP 4 -5.758 -21.504 -3.144 276 2HB ASP 4 HB1 ASP 4 -4.997 -20.273 -2.142 277 H ASN 5 HN ASN 5 -9.326 -20.176 -2.845 278 HA ASN 5 HA ASN 5 -8.717 -18.522 -4.978 279 1HB ASN 5 HB2 ASN 5 -11.217 -18.899 -3.348 280 2HB ASN 5 HB1 ASN 5 -11.164 -17.702 -4.640 281 1HD2 ASN 5 HD21 ASN 5 -9.828 -18.831 -6.614 282 2HD2 ASN 5 HD22 ASN 5 -10.585 -20.289 -7.149 283 H ILE 6 HN ILE 6 -9.071 -17.810 -1.610 284 HA ILE 6 HA ILE 6 -9.218 -14.956 -1.927 285 HB ILE 6 HB ILE 6 -8.506 -16.486 0.570 286 1HG1 ILE 6 HG12 ILE 6 -11.285 -15.638 -0.254 287 2HG1 ILE 6 HG11 ILE 6 -10.657 -17.254 -0.554 288 1HG2 ILE 6 HG21 ILE 6 -8.126 -14.039 0.545 289 2HG2 ILE 6 HG22 ILE 6 -9.319 -14.554 1.739 290 3HG2 ILE 6 HG23 ILE 6 -9.845 -13.811 0.229 291 1HD1 ILE 6 HD11 ILE 6 -10.587 -17.776 1.711 292 2HD1 ILE 6 HD12 ILE 6 -12.094 -16.879 1.523 293 3HD1 ILE 6 HD13 ILE 6 -10.673 -16.083 2.198 294 H GLU 7 HN GLU 7 -6.782 -17.328 -0.967 295 HA GLU 7 HA GLU 7 -4.682 -15.616 -0.353 296 1HB GLU 7 HB2 GLU 7 -5.012 -18.331 -0.455 297 2HB GLU 7 HB1 GLU 7 -3.891 -18.060 -1.781 298 1HG GLU 7 HG2 GLU 7 -2.455 -16.778 -0.176 299 2HG GLU 7 HG1 GLU 7 -3.521 -17.340 1.112 300 H GLN 8 HN GLN 8 -5.966 -16.590 -3.434 301 HA GLN 8 HA GLN 8 -3.728 -15.630 -4.962 302 1HB GLN 8 HB2 GLN 8 -5.610 -17.411 -5.552 303 2HB GLN 8 HB1 GLN 8 -6.429 -15.986 -6.176 304 1HG GLN 8 HG2 GLN 8 -5.338 -16.665 -8.050 305 2HG GLN 8 HG1 GLN 8 -4.122 -15.587 -7.369 306 1HE2 GLN 8 HE21 GLN 8 -2.149 -16.367 -7.170 307 2HE2 GLN 8 HE22 GLN 8 -1.712 -18.038 -7.157 308 H LYS 9 HN LYS 9 -6.964 -14.496 -4.143 309 HA LYS 9 HA LYS 9 -6.961 -12.146 -5.665 310 1HB LYS 9 HB2 LYS 9 -8.469 -13.130 -3.294 311 2HB LYS 9 HB1 LYS 9 -8.553 -11.411 -3.657 312 1HG LYS 9 HG2 LYS 9 -9.226 -12.076 -6.004 313 2HG LYS 9 HG1 LYS 9 -9.418 -13.715 -5.379 314 1HD LYS 9 HD2 LYS 9 -10.831 -12.374 -3.537 315 2HD LYS 9 HD1 LYS 9 -11.059 -11.295 -4.915 316 1HE LYS 9 HE2 LYS 9 -11.502 -13.706 -6.070 317 2HE LYS 9 HE1 LYS 9 -12.093 -14.008 -4.438 318 1HZ LYS 9 HZ1 LYS 9 -13.815 -12.601 -4.704 319 2HZ LYS 9 HZ2 LYS 9 -13.586 -12.939 -6.345 320 3HZ LYS 9 HZ3 LYS 9 -12.950 -11.520 -5.679 321 H ILE 10 HN ILE 10 -5.696 -12.848 -2.453 322 HA ILE 10 HA ILE 10 -5.144 -10.136 -1.791 323 HB ILE 10 HB ILE 10 -3.582 -11.110 -0.081 324 1HG1 ILE 10 HG12 ILE 10 -4.782 -13.744 -0.952 325 2HG1 ILE 10 HG11 ILE 10 -3.141 -13.231 -1.331 326 1HG2 ILE 10 HG21 ILE 10 -5.521 -12.202 1.202 327 2HG2 ILE 10 HG22 ILE 10 -6.491 -11.800 -0.215 328 3HG2 ILE 10 HG23 ILE 10 -5.691 -10.521 0.698 329 1HD1 ILE 10 HD11 ILE 10 -4.272 -13.694 1.414 330 2HD1 ILE 10 HD12 ILE 10 -2.642 -13.119 1.065 331 3HD1 ILE 10 HD13 ILE 10 -3.137 -14.732 0.552 332 H ASP 11 HN ASP 11 -3.179 -12.768 -3.148 333 HA ASP 11 HA ASP 11 -0.692 -11.594 -3.151 334 1HB ASP 11 HB2 ASP 11 -1.714 -13.871 -4.233 335 2HB ASP 11 HB1 ASP 11 -1.416 -12.928 -5.690 336 H ASP 12 HN ASP 12 -3.448 -10.961 -5.190 337 HA ASP 12 HA ASP 12 -2.126 -9.295 -7.080 338 1HB ASP 12 HB2 ASP 12 -4.653 -10.369 -6.866 339 2HB ASP 12 HB1 ASP 12 -4.948 -8.662 -6.549 340 H ILE 13 HN ILE 13 -3.985 -8.668 -4.134 341 HA ILE 13 HA ILE 13 -3.794 -5.865 -4.168 342 HB ILE 13 HB ILE 13 -3.919 -7.621 -1.711 343 1HG1 ILE 13 HG12 ILE 13 -6.162 -6.557 -3.444 344 2HG1 ILE 13 HG11 ILE 13 -5.688 -8.245 -3.285 345 1HG2 ILE 13 HG21 ILE 13 -5.366 -5.092 -1.704 346 2HG2 ILE 13 HG22 ILE 13 -3.625 -4.895 -1.901 347 3HG2 ILE 13 HG23 ILE 13 -4.262 -5.770 -0.509 348 1HD1 ILE 13 HD11 ILE 13 -7.568 -8.029 -1.934 349 2HD1 ILE 13 HD12 ILE 13 -7.036 -6.481 -1.279 350 3HD1 ILE 13 HD13 ILE 13 -6.216 -7.969 -0.804 351 H ASP 14 HN ASP 14 -1.771 -8.321 -2.571 352 HA ASP 14 HA ASP 14 0.022 -6.731 -1.239 353 1HB ASP 14 HB2 ASP 14 -0.161 -9.377 -1.632 354 2HB ASP 14 HB1 ASP 14 1.173 -9.031 -2.728 355 H HIS 15 HN HIS 15 -0.191 -7.345 -4.675 356 HA HIS 15 HA HIS 15 2.362 -6.191 -5.300 357 1HB HIS 15 HB2 HIS 15 1.032 -7.894 -6.695 358 2HB HIS 15 HB1 HIS 15 0.068 -6.520 -7.225 359 HD1 HIS 15 HD1 HIS 15 3.184 -5.025 -6.961 360 HD2 HIS 15 HD2 HIS 15 1.625 -7.820 -9.612 361 HE1 HIS 15 HE1 HIS 15 4.634 -4.889 -9.011 362 HE2 HIS 15 HE2 HIS 15 3.726 -6.651 -10.566 363 H GLU 16 HN GLU 16 -0.899 -5.061 -4.903 364 HA GLU 16 HA GLU 16 -0.368 -2.501 -6.140 365 1HB GLU 16 HB2 GLU 16 -2.784 -3.210 -4.489 366 2HB GLU 16 HB1 GLU 16 -2.651 -1.997 -5.756 367 1HG GLU 16 HG2 GLU 16 -2.229 -4.883 -6.396 368 2HG GLU 16 HG1 GLU 16 -3.862 -4.240 -6.225 369 H ILE 17 HN ILE 17 -0.590 -3.873 -2.932 370 HA ILE 17 HA ILE 17 -0.679 -1.479 -1.450 371 HB ILE 17 HB ILE 17 0.591 -4.072 -0.562 372 1HG1 ILE 17 HG12 ILE 17 -2.259 -3.388 0.021 373 2HG1 ILE 17 HG11 ILE 17 -1.864 -4.066 -1.553 374 1HG2 ILE 17 HG21 ILE 17 -0.685 -3.012 1.590 375 2HG2 ILE 17 HG22 ILE 17 -0.150 -1.557 0.750 376 3HG2 ILE 17 HG23 ILE 17 1.025 -2.784 1.223 377 1HD1 ILE 17 HD11 ILE 17 -2.196 -5.384 0.954 378 2HD1 ILE 17 HD12 ILE 17 -0.563 -5.666 0.349 379 3HD1 ILE 17 HD13 ILE 17 -1.958 -6.078 -0.650 380 H ALA 18 HN ALA 18 1.941 -3.351 -2.832 381 HA ALA 18 HA ALA 18 4.023 -1.858 -1.524 382 1HB ALA 18 HB1 ALA 18 3.833 -4.271 -3.022 383 2HB ALA 18 HB2 ALA 18 5.185 -3.668 -2.064 384 3HB ALA 18 HB3 ALA 18 5.053 -3.239 -3.770 385 H ASP 19 HN ASP 19 2.455 -1.848 -4.680 386 HA ASP 19 HA ASP 19 4.187 -0.230 -6.109 387 1HB ASP 19 HB2 ASP 19 1.804 -1.370 -6.657 388 2HB ASP 19 HB1 ASP 19 1.295 0.307 -6.482 389 H LEU 20 HN LEU 20 1.588 0.709 -3.896 390 HA LEU 20 HA LEU 20 1.895 3.504 -4.293 391 1HB LEU 20 HB2 LEU 20 0.791 2.253 -1.801 392 2HB LEU 20 HB1 LEU 20 0.369 3.792 -2.525 393 HG LEU 20 HG LEU 20 -0.442 1.035 -3.396 394 1HD1 LEU 20 HD11 LEU 20 -1.969 1.880 -1.864 395 2HD1 LEU 20 HD12 LEU 20 -2.683 2.295 -3.421 396 3HD1 LEU 20 HD13 LEU 20 -1.834 3.523 -2.484 397 1HD2 LEU 20 HD21 LEU 20 0.354 2.310 -5.375 398 2HD2 LEU 20 HD22 LEU 20 -0.825 3.564 -4.993 399 3HD2 LEU 20 HD23 LEU 20 -1.370 1.941 -5.419 400 H GLN 21 HN GLN 21 2.973 1.305 -1.713 401 HA GLN 21 HA GLN 21 4.238 3.113 -0.062 402 1HB GLN 21 HB2 GLN 21 3.956 0.443 -0.026 403 2HB GLN 21 HB1 GLN 21 5.642 0.538 -0.516 404 1HG GLN 21 HG2 GLN 21 6.291 1.565 1.463 405 2HG GLN 21 HG1 GLN 21 4.648 2.073 1.850 406 1HE2 GLN 21 HE21 GLN 21 6.461 0.670 3.553 407 2HE2 GLN 21 HE22 GLN 21 5.735 -0.850 3.935 408 H ALA 22 HN ALA 22 5.373 1.735 -3.081 409 HA ALA 22 HA ALA 22 8.059 2.647 -2.853 410 1HB ALA 22 HB1 ALA 22 8.356 1.907 -5.063 411 2HB ALA 22 HB2 ALA 22 6.644 2.091 -5.444 412 3HB ALA 22 HB3 ALA 22 7.174 0.800 -4.366 413 H LYS 23 HN LYS 23 5.108 3.994 -4.202 414 HA LYS 23 HA LYS 23 6.305 6.182 -5.540 415 1HB LYS 23 HB2 LYS 23 3.539 5.499 -4.642 416 2HB LYS 23 HB1 LYS 23 3.880 7.149 -5.146 417 1HG LYS 23 HG2 LYS 23 3.932 6.599 -7.306 418 2HG LYS 23 HG1 LYS 23 4.891 5.148 -7.008 419 1HD LYS 23 HD2 LYS 23 2.983 4.123 -7.674 420 2HD LYS 23 HD1 LYS 23 2.554 4.344 -5.977 421 1HE LYS 23 HE2 LYS 23 1.752 6.067 -8.313 422 2HE LYS 23 HE1 LYS 23 0.704 5.063 -7.311 423 1HZ LYS 23 HZ1 LYS 23 0.541 7.393 -6.703 424 2HZ LYS 23 HZ2 LYS 23 2.202 7.457 -6.387 425 3HZ LYS 23 HZ3 LYS 23 1.196 6.494 -5.427 426 H ARG 24 HN ARG 24 5.238 5.672 -2.243 427 HA ARG 24 HA ARG 24 5.374 8.418 -1.468 428 1HB ARG 24 HB2 ARG 24 3.975 6.864 -0.235 429 2HB ARG 24 HB1 ARG 24 5.374 5.881 0.176 430 1HG ARG 24 HG2 ARG 24 5.983 7.220 1.868 431 2HG ARG 24 HG1 ARG 24 5.567 8.693 0.989 432 1HD ARG 24 HD2 ARG 24 3.108 7.690 1.390 433 2HD ARG 24 HD1 ARG 24 3.930 7.032 2.804 434 HE ARG 24 HE ARG 24 3.127 9.717 2.418 435 1HH1 ARG 24 HH11 ARG 24 5.718 7.804 3.760 436 2HH1 ARG 24 HH12 ARG 24 6.171 9.005 4.922 437 1HH2 ARG 24 HH21 ARG 24 3.720 11.298 3.945 438 2HH2 ARG 24 HH22 ARG 24 5.036 10.989 5.028 439 H THR 25 HN THR 25 7.565 5.647 -1.182 440 HA THR 25 HA THR 25 9.553 6.909 0.347 441 HB THR 25 HB THR 25 10.420 4.915 -1.655 442 HG1 THR 25 HG1 THR 25 9.328 3.250 -0.533 443 1HG2 THR 25 HG21 THR 25 11.196 3.780 0.489 444 2HG2 THR 25 HG22 THR 25 10.765 5.290 1.293 445 3HG2 THR 25 HG23 THR 25 11.989 5.285 0.022 446 H ARG 26 HN ARG 26 9.400 6.384 -3.178 447 HA ARG 26 HA ARG 26 11.730 7.642 -3.921 448 1HB ARG 26 HB2 ARG 26 10.666 8.054 -6.098 449 2HB ARG 26 HB1 ARG 26 10.324 6.435 -5.505 450 1HG ARG 26 HG2 ARG 26 8.112 7.168 -4.772 451 2HG ARG 26 HG1 ARG 26 8.455 8.793 -5.368 452 1HD ARG 26 HD2 ARG 26 8.070 6.259 -6.930 453 2HD ARG 26 HD1 ARG 26 7.195 7.782 -7.066 454 HE ARG 26 HE ARG 26 8.918 8.645 -8.354 455 1HH1 ARG 26 HH11 ARG 26 9.778 5.481 -7.144 456 2HH1 ARG 26 HH12 ARG 26 11.131 5.309 -8.210 457 1HH2 ARG 26 HH21 ARG 26 10.696 8.414 -9.751 458 2HH2 ARG 26 HH22 ARG 26 11.653 6.971 -9.688 459 H LEU 27 HN LEU 27 8.555 9.091 -3.344 460 HA LEU 27 HA LEU 27 9.251 11.732 -4.016 461 1HB LEU 27 HB2 LEU 27 7.086 10.437 -2.445 462 2HB LEU 27 HB1 LEU 27 7.342 12.153 -2.188 463 HG LEU 27 HG LEU 27 6.899 10.967 -4.922 464 1HD1 LEU 27 HD11 LEU 27 5.016 10.682 -3.135 465 2HD1 LEU 27 HD12 LEU 27 4.626 11.260 -4.755 466 3HD1 LEU 27 HD13 LEU 27 4.762 12.405 -3.420 467 1HD2 LEU 27 HD21 LEU 27 6.909 13.082 -5.708 468 2HD2 LEU 27 HD22 LEU 27 7.898 13.379 -4.277 469 3HD2 LEU 27 HD23 LEU 27 6.172 13.744 -4.249 470 H VAL 28 HN VAL 28 9.545 9.870 -1.040 471 HA VAL 28 HA VAL 28 10.283 12.017 0.648 472 HB VAL 28 HB VAL 28 11.152 9.144 0.923 473 1HG1 VAL 28 HG11 VAL 28 11.819 9.621 3.026 474 2HG1 VAL 28 HG12 VAL 28 10.539 10.809 3.277 475 3HG1 VAL 28 HG13 VAL 28 11.987 11.250 2.371 476 1HG2 VAL 28 HG21 VAL 28 8.951 9.686 2.602 477 2HG2 VAL 28 HG22 VAL 28 9.024 8.579 1.232 478 3HG2 VAL 28 HG23 VAL 28 8.514 10.249 0.989 479 H GLN 29 HN GLN 29 12.139 9.747 -1.322 480 HA GLN 29 HA GLN 29 14.715 10.451 -0.577 481 1HB GLN 29 HB2 GLN 29 13.601 9.571 -3.242 482 2HB GLN 29 HB1 GLN 29 15.322 9.806 -2.968 483 1HG GLN 29 HG2 GLN 29 14.133 8.138 -0.927 484 2HG GLN 29 HG1 GLN 29 13.868 7.490 -2.544 485 1HE2 GLN 29 HE21 GLN 29 16.072 7.907 -0.006 486 2HE2 GLN 29 HE22 GLN 29 17.466 7.248 -0.784 487 H GLN 30 HN GLN 30 12.384 12.134 -2.519 488 HA GLN 30 HA GLN 30 14.232 14.021 -3.638 489 1HB GLN 30 HB2 GLN 30 12.039 13.397 -4.684 490 2HB GLN 30 HB1 GLN 30 11.229 14.262 -3.385 491 1HG GLN 30 HG2 GLN 30 12.060 16.338 -4.107 492 2HG GLN 30 HG1 GLN 30 13.245 15.582 -5.173 493 1HE2 GLN 30 HE21 GLN 30 9.735 15.650 -4.641 494 2HE2 GLN 30 HE22 GLN 30 9.311 15.698 -6.314 495 H HIS 31 HN HIS 31 12.242 13.806 -0.762 496 HA HIS 31 HA HIS 31 13.506 16.267 0.206 497 1HB HIS 31 HB2 HIS 31 11.449 17.157 1.093 498 2HB HIS 31 HB1 HIS 31 11.233 16.850 -0.625 499 HD1 HIS 31 HD1 HIS 31 10.144 14.266 -1.010 500 HD2 HIS 31 HD2 HIS 31 9.327 16.296 2.516 501 HE1 HIS 31 HE1 HIS 31 8.056 13.217 -0.096 502 HE2 HIS 31 HE2 HIS 31 7.717 14.315 2.143 503 HA PRO 32 HA PRO 32 13.447 12.748 3.302 504 1HB PRO 32 HB2 PRO 32 16.093 12.288 3.443 505 2HB PRO 32 HB1 PRO 32 15.080 11.542 2.201 506 1HG PRO 32 HG2 PRO 32 16.874 13.929 2.000 507 2HG PRO 32 HG1 PRO 32 16.657 12.592 0.855 508 1HD PRO 32 HD2 PRO 32 15.463 15.034 0.570 509 2HD PRO 32 HD1 PRO 32 14.780 13.528 -0.069 510 H ARG 33 HN ARG 33 15.492 15.584 2.930 511 HA ARG 33 HA ARG 33 15.616 15.852 5.860 512 1HB ARG 33 HB2 ARG 33 17.348 17.329 3.883 513 2HB ARG 33 HB1 ARG 33 17.601 17.133 5.612 514 1HG ARG 33 HG2 ARG 33 18.920 15.416 5.161 515 2HG ARG 33 HG1 ARG 33 17.505 14.538 4.579 516 1HD ARG 33 HD2 ARG 33 17.877 15.621 2.345 517 2HD ARG 33 HD1 ARG 33 19.405 16.238 2.972 518 HE ARG 33 HE ARG 33 18.827 13.546 2.148 519 1HH1 ARG 33 HH11 ARG 33 20.877 15.552 4.135 520 2HH1 ARG 33 HH12 ARG 33 22.179 14.410 4.165 521 1HH2 ARG 33 HH21 ARG 33 20.538 12.042 2.185 522 2HH2 ARG 33 HH22 ARG 33 21.986 12.418 3.057 Start of MODEL 4 1 H CYS 1 HT1 CYS 1 13.246 26.743 -5.483 2 HA CYS 1 HA CYS 1 10.556 27.292 -4.432 3 1HB CYS 1 HB2 CYS 1 11.359 26.948 -6.989 4 2HB CYS 1 HB1 CYS 1 11.137 25.266 -6.519 5 HG CYS 1 HG CYS 1 8.917 26.289 -7.528 6 H GLY 2 HN GLY 2 9.701 25.846 -3.053 7 1HA GLY 2 HA2 GLY 2 10.376 23.121 -2.906 8 2HA GLY 2 HA1 GLY 2 11.312 23.990 -1.700 9 H GLY 3 HN GLY 3 10.377 23.363 0.166 10 1HA GLY 3 HA2 GLY 3 8.747 23.966 1.815 11 2HA GLY 3 HA1 GLY 3 7.559 24.125 0.530 12 H ASP 4 HN ASP 4 6.291 22.795 2.082 13 HA ASP 4 HA ASP 4 7.032 19.973 2.153 14 1HB ASP 4 HB2 ASP 4 4.711 21.426 3.421 15 2HB ASP 4 HB1 ASP 4 5.115 19.730 3.670 16 H ASN 5 HN ASN 5 5.883 21.639 -0.212 17 HA ASN 5 HA ASN 5 3.346 20.757 -0.891 18 1HB ASN 5 HB2 ASN 5 5.619 21.926 -2.285 19 2HB ASN 5 HB1 ASN 5 4.736 20.797 -3.309 20 1HD2 ASN 5 HD21 ASN 5 2.247 21.075 -3.002 21 2HD2 ASN 5 HD22 ASN 5 1.688 22.704 -3.134 22 H ILE 6 HN ILE 6 6.375 19.103 -0.879 23 HA ILE 6 HA ILE 6 5.487 16.869 -2.469 24 HB ILE 6 HB ILE 6 7.903 16.980 -0.674 25 1HG1 ILE 6 HG12 ILE 6 7.799 17.776 -3.589 26 2HG1 ILE 6 HG11 ILE 6 7.787 18.935 -2.263 27 1HG2 ILE 6 HG21 ILE 6 7.176 14.793 -1.606 28 2HG2 ILE 6 HG22 ILE 6 8.796 15.288 -2.101 29 3HG2 ILE 6 HG23 ILE 6 7.442 15.447 -3.221 30 1HD1 ILE 6 HD11 ILE 6 10.000 17.568 -3.489 31 2HD1 ILE 6 HD12 ILE 6 9.964 17.285 -1.748 32 3HD1 ILE 6 HD13 ILE 6 9.995 18.934 -2.373 33 H GLU 7 HN GLU 7 6.135 17.551 0.934 34 HA GLU 7 HA GLU 7 5.635 15.035 2.009 35 1HB GLU 7 HB2 GLU 7 6.605 16.933 3.267 36 2HB GLU 7 HB1 GLU 7 5.032 17.717 3.267 37 1HG GLU 7 HG2 GLU 7 4.297 15.424 4.363 38 2HG GLU 7 HG1 GLU 7 5.996 15.391 4.829 39 H GLN 8 HN GLN 8 3.439 17.471 0.853 40 HA GLN 8 HA GLN 8 1.104 16.377 2.099 41 1HB GLN 8 HB2 GLN 8 1.564 18.778 1.096 42 2HB GLN 8 HB1 GLN 8 0.956 18.041 -0.380 43 1HG GLN 8 HG2 GLN 8 -0.887 19.078 0.640 44 2HG GLN 8 HG1 GLN 8 -1.076 17.351 0.938 45 1HE2 GLN 8 HE21 GLN 8 -1.680 20.112 2.325 46 2HE2 GLN 8 HE22 GLN 8 -1.341 19.761 3.983 47 H LYS 9 HN LYS 9 2.651 16.123 -1.052 48 HA LYS 9 HA LYS 9 0.664 14.652 -2.368 49 1HB LYS 9 HB2 LYS 9 3.585 15.083 -2.756 50 2HB LYS 9 HB1 LYS 9 2.831 13.757 -3.632 51 1HG LYS 9 HG2 LYS 9 1.083 15.654 -4.244 52 2HG LYS 9 HG1 LYS 9 2.486 16.683 -3.945 53 1HD LYS 9 HD2 LYS 9 3.011 14.304 -5.592 54 2HD LYS 9 HD1 LYS 9 1.928 15.492 -6.320 55 1HE LYS 9 HE2 LYS 9 3.844 16.461 -6.995 56 2HE LYS 9 HE1 LYS 9 3.868 17.110 -5.355 57 1HZ LYS 9 HZ1 LYS 9 5.140 14.526 -6.030 58 2HZ LYS 9 HZ2 LYS 9 5.399 15.500 -4.672 59 3HZ LYS 9 HZ3 LYS 9 5.967 15.994 -6.187 60 H ILE 10 HN ILE 10 3.363 13.621 -0.331 61 HA ILE 10 HA ILE 10 2.974 10.842 -0.792 62 HB ILE 10 HB ILE 10 4.306 10.539 1.317 63 1HG1 ILE 10 HG12 ILE 10 4.693 13.531 1.128 64 2HG1 ILE 10 HG11 ILE 10 3.665 12.742 2.321 65 1HG2 ILE 10 HG21 ILE 10 5.120 10.887 -1.157 66 2HG2 ILE 10 HG22 ILE 10 6.271 10.772 0.174 67 3HG2 ILE 10 HG23 ILE 10 5.831 12.351 -0.478 68 1HD1 ILE 10 HD11 ILE 10 5.593 11.570 3.222 69 2HD1 ILE 10 HD12 ILE 10 5.830 13.317 3.252 70 3HD1 ILE 10 HD13 ILE 10 6.628 12.340 2.020 71 H ASP 11 HN ASP 11 1.901 13.066 1.758 72 HA ASP 11 HA ASP 11 0.770 11.311 3.544 73 1HB ASP 11 HB2 ASP 11 0.852 13.906 3.577 74 2HB ASP 11 HB1 ASP 11 -0.694 13.815 2.738 75 H ASP 12 HN ASP 12 -0.395 12.337 0.421 76 HA ASP 12 HA ASP 12 -2.999 11.204 0.624 77 1HB ASP 12 HB2 ASP 12 -1.844 12.879 -1.153 78 2HB ASP 12 HB1 ASP 12 -1.713 11.368 -2.047 79 H ILE 13 HN ILE 13 0.048 10.103 -0.812 80 HA ILE 13 HA ILE 13 -0.852 7.608 -1.723 81 HB ILE 13 HB ILE 13 1.929 8.244 -0.723 82 1HG1 ILE 13 HG12 ILE 13 0.719 8.652 -3.468 83 2HG1 ILE 13 HG11 ILE 13 1.219 9.922 -2.356 84 1HG2 ILE 13 HG21 ILE 13 0.860 5.847 -1.565 85 2HG2 ILE 13 HG22 ILE 13 2.573 6.263 -1.522 86 3HG2 ILE 13 HG23 ILE 13 1.654 6.471 -3.012 87 1HD1 ILE 13 HD11 ILE 13 3.476 9.491 -2.689 88 2HD1 ILE 13 HD12 ILE 13 2.771 9.312 -4.296 89 3HD1 ILE 13 HD13 ILE 13 3.170 7.882 -3.344 90 H ASP 14 HN ASP 14 0.689 8.538 1.344 91 HA ASP 14 HA ASP 14 0.903 6.101 2.582 92 1HB ASP 14 HB2 ASP 14 1.308 8.666 3.361 93 2HB ASP 14 HB1 ASP 14 -0.125 8.273 4.304 94 H HIS 15 HN HIS 15 -1.980 8.021 2.059 95 HA HIS 15 HA HIS 15 -3.643 6.476 3.806 96 1HB HIS 15 HB2 HIS 15 -4.032 8.887 3.010 97 2HB HIS 15 HB1 HIS 15 -4.607 8.170 1.507 98 HD1 HIS 15 HD1 HIS 15 -5.686 5.873 3.931 99 HD2 HIS 15 HD2 HIS 15 -6.943 9.681 2.839 100 HE1 HIS 15 HE1 HIS 15 -8.046 6.070 4.777 101 HE2 HIS 15 HE2 HIS 15 -8.814 8.351 4.031 102 H GLU 16 HN GLU 16 -2.621 6.299 0.497 103 HA GLU 16 HA GLU 16 -4.638 4.359 -0.227 104 1HB GLU 16 HB2 GLU 16 -2.205 5.097 -1.841 105 2HB GLU 16 HB1 GLU 16 -3.736 4.450 -2.419 106 1HG GLU 16 HG2 GLU 16 -3.631 7.105 -1.050 107 2HG GLU 16 HG1 GLU 16 -3.198 6.954 -2.754 108 H ILE 17 HN ILE 17 -1.240 4.432 0.621 109 HA ILE 17 HA ILE 17 -0.558 1.804 -0.097 110 HB ILE 17 HB ILE 17 0.614 3.367 2.207 111 1HG1 ILE 17 HG12 ILE 17 1.801 3.399 -0.533 112 2HG1 ILE 17 HG11 ILE 17 0.445 4.466 -0.195 113 1HG2 ILE 17 HG21 ILE 17 2.064 1.700 2.392 114 2HG2 ILE 17 HG22 ILE 17 2.490 1.834 0.687 115 3HG2 ILE 17 HG23 ILE 17 1.149 0.801 1.182 116 1HD1 ILE 17 HD11 ILE 17 3.201 4.789 0.446 117 2HD1 ILE 17 HD12 ILE 17 2.252 4.767 1.932 118 3HD1 ILE 17 HD13 ILE 17 1.867 5.923 0.657 119 H ALA 18 HN ALA 18 -2.132 3.166 2.711 120 HA ALA 18 HA ALA 18 -1.970 0.739 4.264 121 1HB ALA 18 HB1 ALA 18 -3.828 2.235 5.546 122 2HB ALA 18 HB2 ALA 18 -2.937 3.485 4.678 123 3HB ALA 18 HB3 ALA 18 -2.087 2.399 5.778 124 H ASP 19 HN ASP 19 -4.365 2.393 2.275 125 HA ASP 19 HA ASP 19 -6.644 0.961 2.941 126 1HB ASP 19 HB2 ASP 19 -5.725 2.439 0.531 127 2HB ASP 19 HB1 ASP 19 -7.103 1.362 0.332 128 H LEU 20 HN LEU 20 -4.117 0.162 0.591 129 HA LEU 20 HA LEU 20 -5.357 -2.227 -0.321 130 1HB LEU 20 HB2 LEU 20 -2.410 -1.676 -0.432 131 2HB LEU 20 HB1 LEU 20 -3.380 -2.633 -1.535 132 HG LEU 20 HG LEU 20 -3.298 0.366 -1.290 133 1HD1 LEU 20 HD11 LEU 20 -2.625 -1.581 -3.483 134 2HD1 LEU 20 HD12 LEU 20 -1.528 -0.501 -2.624 135 3HD1 LEU 20 HD13 LEU 20 -2.743 0.163 -3.716 136 1HD2 LEU 20 HD21 LEU 20 -4.927 -0.106 -3.404 137 2HD2 LEU 20 HD22 LEU 20 -5.489 0.299 -1.783 138 3HD2 LEU 20 HD23 LEU 20 -5.428 -1.386 -2.299 139 H GLN 21 HN GLN 21 -2.633 -1.631 1.891 140 HA GLN 21 HA GLN 21 -2.063 -4.254 2.567 141 1HB GLN 21 HB2 GLN 21 -1.073 -1.845 3.305 142 2HB GLN 21 HB1 GLN 21 -1.915 -2.299 4.780 143 1HG GLN 21 HG2 GLN 21 -0.405 -3.855 5.306 144 2HG GLN 21 HG1 GLN 21 -0.289 -4.442 3.648 145 1HE2 GLN 21 HE21 GLN 21 1.945 -4.599 3.748 146 2HE2 GLN 21 HE22 GLN 21 2.971 -3.209 3.737 147 H ALA 22 HN ALA 22 -4.631 -2.169 3.712 148 HA ALA 22 HA ALA 22 -5.403 -3.803 5.918 149 1HB ALA 22 HB1 ALA 22 -5.958 -1.280 5.265 150 2HB ALA 22 HB2 ALA 22 -6.990 -2.235 6.330 151 3HB ALA 22 HB3 ALA 22 -7.410 -2.052 4.628 152 H LYS 23 HN LYS 23 -6.280 -3.663 2.525 153 HA LYS 23 HA LYS 23 -8.534 -5.402 2.748 154 1HB LYS 23 HB2 LYS 23 -7.137 -3.964 0.637 155 2HB LYS 23 HB1 LYS 23 -7.653 -5.563 0.118 156 1HG LYS 23 HG2 LYS 23 -9.637 -4.670 -0.298 157 2HG LYS 23 HG1 LYS 23 -9.859 -4.547 1.447 158 1HD LYS 23 HD2 LYS 23 -10.217 -2.367 0.863 159 2HD LYS 23 HD1 LYS 23 -8.470 -2.321 1.106 160 1HE LYS 23 HE2 LYS 23 -8.067 -1.922 -1.061 161 2HE LYS 23 HE1 LYS 23 -9.251 -3.115 -1.594 162 1HZ LYS 23 HZ1 LYS 23 -10.879 -1.235 -0.717 163 2HZ LYS 23 HZ2 LYS 23 -10.288 -1.252 -2.301 164 3HZ LYS 23 HZ3 LYS 23 -9.568 -0.253 -1.141 165 H ARG 24 HN ARG 24 -5.115 -5.832 2.078 166 HA ARG 24 HA ARG 24 -5.256 -8.520 1.209 167 1HB ARG 24 HB2 ARG 24 -3.306 -7.137 0.758 168 2HB ARG 24 HB1 ARG 24 -2.981 -6.985 2.479 169 1HG ARG 24 HG2 ARG 24 -1.864 -8.906 2.531 170 2HG ARG 24 HG1 ARG 24 -3.137 -9.757 1.654 171 1HD ARG 24 HD2 ARG 24 -2.124 -8.350 -0.368 172 2HD ARG 24 HD1 ARG 24 -0.684 -8.429 0.645 173 HE ARG 24 HE ARG 24 -1.790 -10.536 -0.898 174 1HH1 ARG 24 HH11 ARG 24 -0.158 -9.892 2.119 175 2HH1 ARG 24 HH12 ARG 24 0.547 -11.470 2.219 176 1HH2 ARG 24 HH21 ARG 24 -0.863 -12.612 -0.768 177 2HH2 ARG 24 HH22 ARG 24 0.147 -13.015 0.581 178 H THR 25 HN THR 25 -4.659 -7.069 4.394 179 HA THR 25 HA THR 25 -4.185 -9.479 5.772 180 HB THR 25 HB THR 25 -5.502 -7.282 7.249 181 HG1 THR 25 HG1 THR 25 -4.144 -5.774 6.707 182 1HG2 THR 25 HG21 THR 25 -4.468 -8.418 8.850 183 2HG2 THR 25 HG22 THR 25 -2.992 -7.638 8.279 184 3HG2 THR 25 HG23 THR 25 -3.418 -9.251 7.705 185 H ARG 26 HN ARG 26 -7.147 -7.486 5.633 186 HA ARG 26 HA ARG 26 -8.826 -9.068 7.122 187 1HB ARG 26 HB2 ARG 26 -10.685 -8.114 5.816 188 2HB ARG 26 HB1 ARG 26 -9.505 -6.892 6.271 189 1HG ARG 26 HG2 ARG 26 -8.564 -6.922 4.044 190 2HG ARG 26 HG1 ARG 26 -9.665 -8.217 3.573 191 1HD ARG 26 HD2 ARG 26 -10.407 -5.405 4.368 192 2HD ARG 26 HD1 ARG 26 -10.508 -6.112 2.756 193 HE ARG 26 HE ARG 26 -12.428 -7.243 3.382 194 1HH1 ARG 26 HH11 ARG 26 -11.026 -5.631 6.148 195 2HH1 ARG 26 HH12 ARG 26 -12.431 -5.840 7.136 196 1HH2 ARG 26 HH21 ARG 26 -14.272 -7.515 4.685 197 2HH2 ARG 26 HH22 ARG 26 -14.273 -6.909 6.307 198 H LEU 27 HN LEU 27 -7.978 -9.398 3.713 199 HA LEU 27 HA LEU 27 -9.710 -11.548 3.136 200 1HB LEU 27 HB2 LEU 27 -7.230 -10.442 1.887 201 2HB LEU 27 HB1 LEU 27 -7.825 -12.003 1.352 202 HG LEU 27 HG LEU 27 -9.771 -9.757 1.429 203 1HD1 LEU 27 HD11 LEU 27 -9.006 -8.659 -0.435 204 2HD1 LEU 27 HD12 LEU 27 -8.030 -10.025 -0.975 205 3HD1 LEU 27 HD13 LEU 27 -7.488 -9.034 0.380 206 1HD2 LEU 27 HD21 LEU 27 -10.610 -10.887 -0.565 207 2HD2 LEU 27 HD22 LEU 27 -10.462 -12.009 0.787 208 3HD2 LEU 27 HD23 LEU 27 -9.258 -12.016 -0.502 209 H VAL 28 HN VAL 28 -6.426 -11.369 4.407 210 HA VAL 28 HA VAL 28 -5.847 -14.131 4.308 211 HB VAL 28 HB VAL 28 -4.809 -12.164 6.341 212 1HG1 VAL 28 HG11 VAL 28 -4.124 -14.922 5.573 213 2HG1 VAL 28 HG12 VAL 28 -3.915 -14.085 7.111 214 3HG1 VAL 28 HG13 VAL 28 -2.760 -13.829 5.803 215 1HG2 VAL 28 HG21 VAL 28 -2.985 -12.601 4.188 216 2HG2 VAL 28 HG22 VAL 28 -3.702 -11.090 4.742 217 3HG2 VAL 28 HG23 VAL 28 -4.531 -12.067 3.533 218 H GLN 29 HN GLN 29 -7.248 -12.065 6.813 219 HA GLN 29 HA GLN 29 -7.478 -13.900 8.877 220 1HB GLN 29 HB2 GLN 29 -9.230 -11.586 8.062 221 2HB GLN 29 HB1 GLN 29 -9.561 -12.538 9.502 222 1HG GLN 29 HG2 GLN 29 -6.801 -11.615 9.331 223 2HG GLN 29 HG1 GLN 29 -7.983 -10.308 9.383 224 1HE2 GLN 29 HE21 GLN 29 -6.463 -12.861 11.114 225 2HE2 GLN 29 HE22 GLN 29 -7.180 -12.540 12.653 226 H GLN 30 HN GLN 30 -9.274 -13.587 5.923 227 HA GLN 30 HA GLN 30 -11.440 -15.295 6.678 228 1HB GLN 30 HB2 GLN 30 -11.495 -13.554 4.840 229 2HB GLN 30 HB1 GLN 30 -10.514 -14.649 3.876 230 1HG GLN 30 HG2 GLN 30 -12.296 -16.357 4.091 231 2HG GLN 30 HG1 GLN 30 -13.285 -15.161 4.928 232 1HE2 GLN 30 HE21 GLN 30 -14.158 -16.388 2.632 233 2HE2 GLN 30 HE22 GLN 30 -14.224 -15.232 1.350 234 H HIS 31 HN HIS 31 -8.271 -15.719 5.241 235 HA HIS 31 HA HIS 31 -8.639 -18.616 5.467 236 1HB HIS 31 HB2 HIS 31 -7.614 -19.057 3.318 237 2HB HIS 31 HB1 HIS 31 -9.018 -18.020 3.093 238 HD1 HIS 31 HD1 HIS 31 -8.194 -15.301 3.168 239 HD2 HIS 31 HD2 HIS 31 -5.542 -18.196 1.823 240 HE1 HIS 31 HE1 HIS 31 -6.514 -14.076 1.763 241 HE2 HIS 31 HE2 HIS 31 -4.792 -15.816 1.176 242 HA PRO 32 HA PRO 32 -4.604 -17.036 7.226 243 1HB PRO 32 HB2 PRO 32 -4.946 -17.960 9.740 244 2HB PRO 32 HB1 PRO 32 -5.573 -16.393 9.215 245 1HG PRO 32 HG2 PRO 32 -7.005 -19.007 9.502 246 2HG PRO 32 HG1 PRO 32 -7.535 -17.382 9.976 247 1HD PRO 32 HD2 PRO 32 -8.362 -18.604 7.691 248 2HD PRO 32 HD1 PRO 32 -8.206 -16.843 7.845 249 H ARG 33 HN ARG 33 -6.324 -20.088 7.449 250 HA ARG 33 HA ARG 33 -4.143 -21.610 6.545 251 1HB ARG 33 HB2 ARG 33 -3.844 -22.960 8.692 252 2HB ARG 33 HB1 ARG 33 -3.084 -21.376 8.635 253 1HG ARG 33 HG2 ARG 33 -5.745 -21.156 9.690 254 2HG ARG 33 HG1 ARG 33 -4.827 -22.371 10.582 255 1HD ARG 33 HD2 ARG 33 -3.351 -19.904 9.999 256 2HD ARG 33 HD1 ARG 33 -4.745 -19.690 11.057 257 HE ARG 33 HE ARG 33 -3.383 -21.856 12.061 258 1HH1 ARG 33 HH11 ARG 33 -2.656 -18.501 11.437 259 2HH1 ARG 33 HH12 ARG 33 -1.502 -18.382 12.722 260 1HH2 ARG 33 HH21 ARG 33 -1.866 -21.702 13.754 261 2HH2 ARG 33 HH22 ARG 33 -1.052 -20.200 14.037 262 H CYS 1 HN CYS 1 -16.559 -17.462 0.361 263 HA CYS 1 HA CYS 1 -13.997 -18.745 1.007 264 1HB CYS 1 HB2 CYS 1 -16.848 -19.403 1.581 265 2HB CYS 1 HB1 CYS 1 -15.709 -20.735 1.421 266 HG CYS 1 HG CYS 1 -15.443 -20.265 3.840 267 H GLY 2 HN GLY 2 -13.330 -20.630 -0.097 268 1HA GLY 2 HA2 GLY 2 -14.425 -22.146 -1.994 269 2HA GLY 2 HA1 GLY 2 -14.164 -20.656 -2.888 270 H GLY 3 HN GLY 3 -12.265 -22.555 -0.534 271 1HA GLY 3 HA2 GLY 3 -10.185 -23.528 -0.753 272 2HA GLY 3 HA1 GLY 3 -10.281 -23.235 -2.482 273 H ASP 4 HN ASP 4 -8.427 -22.257 -3.002 274 HA ASP 4 HA ASP 4 -7.314 -20.214 -1.246 275 1HB ASP 4 HB2 ASP 4 -6.236 -21.416 -3.797 276 2HB ASP 4 HB1 ASP 4 -5.373 -20.285 -2.758 277 H ASN 5 HN ASN 5 -9.726 -20.022 -3.235 278 HA ASN 5 HA ASN 5 -9.168 -18.239 -5.275 279 1HB ASN 5 HB2 ASN 5 -11.442 -19.372 -4.330 280 2HB ASN 5 HB1 ASN 5 -11.664 -17.717 -3.768 281 1HD2 ASN 5 HD21 ASN 5 -10.432 -16.336 -5.823 282 2HD2 ASN 5 HD22 ASN 5 -11.356 -16.535 -7.268 283 H ILE 6 HN ILE 6 -9.331 -17.750 -1.857 284 HA ILE 6 HA ILE 6 -9.419 -14.876 -1.973 285 HB ILE 6 HB ILE 6 -8.645 -16.604 0.373 286 1HG1 ILE 6 HG12 ILE 6 -11.388 -15.589 0.333 287 2HG1 ILE 6 HG11 ILE 6 -11.066 -16.732 -0.967 288 1HG2 ILE 6 HG21 ILE 6 -8.178 -14.159 0.474 289 2HG2 ILE 6 HG22 ILE 6 -9.276 -14.745 1.724 290 3HG2 ILE 6 HG23 ILE 6 -9.911 -13.876 0.327 291 1HD1 ILE 6 HD11 ILE 6 -10.444 -18.426 0.577 292 2HD1 ILE 6 HD12 ILE 6 -11.970 -17.735 1.126 293 3HD1 ILE 6 HD13 ILE 6 -10.462 -17.288 1.923 294 H GLU 7 HN GLU 7 -7.009 -17.372 -1.321 295 HA GLU 7 HA GLU 7 -4.838 -15.749 -0.686 296 1HB GLU 7 HB2 GLU 7 -5.248 -18.439 -0.896 297 2HB GLU 7 HB1 GLU 7 -4.200 -18.144 -2.276 298 1HG GLU 7 HG2 GLU 7 -2.406 -17.693 -0.992 299 2HG GLU 7 HG1 GLU 7 -3.364 -16.905 0.262 300 H GLN 8 HN GLN 8 -6.237 -16.570 -3.773 301 HA GLN 8 HA GLN 8 -4.034 -15.572 -5.322 302 1HB GLN 8 HB2 GLN 8 -6.048 -17.254 -5.909 303 2HB GLN 8 HB1 GLN 8 -6.742 -15.760 -6.525 304 1HG GLN 8 HG2 GLN 8 -5.658 -16.272 -8.404 305 2HG GLN 8 HG1 GLN 8 -4.235 -15.654 -7.566 306 1HE2 GLN 8 HE21 GLN 8 -5.596 -18.278 -9.136 307 2HE2 GLN 8 HE22 GLN 8 -4.438 -19.480 -8.691 308 H LYS 9 HN LYS 9 -7.195 -14.386 -4.310 309 HA LYS 9 HA LYS 9 -7.185 -11.977 -5.746 310 1HB LYS 9 HB2 LYS 9 -8.835 -13.244 -3.805 311 2HB LYS 9 HB1 LYS 9 -8.526 -11.605 -3.249 312 1HG LYS 9 HG2 LYS 9 -10.161 -10.943 -4.588 313 2HG LYS 9 HG1 LYS 9 -9.107 -11.324 -5.951 314 1HD LYS 9 HD2 LYS 9 -10.859 -12.642 -6.533 315 2HD LYS 9 HD1 LYS 9 -10.055 -13.775 -5.446 316 1HE LYS 9 HE2 LYS 9 -11.526 -12.551 -3.633 317 2HE LYS 9 HE1 LYS 9 -12.527 -12.166 -5.033 318 1HZ LYS 9 HZ1 LYS 9 -12.939 -14.407 -5.445 319 2HZ LYS 9 HZ2 LYS 9 -13.044 -14.290 -3.762 320 3HZ LYS 9 HZ3 LYS 9 -11.655 -14.935 -4.478 321 H ILE 10 HN ILE 10 -5.820 -12.847 -2.617 322 HA ILE 10 HA ILE 10 -5.157 -10.174 -1.884 323 HB ILE 10 HB ILE 10 -3.601 -11.250 -0.242 324 1HG1 ILE 10 HG12 ILE 10 -4.897 -13.826 -1.140 325 2HG1 ILE 10 HG11 ILE 10 -3.264 -13.344 -1.586 326 1HG2 ILE 10 HG21 ILE 10 -6.214 -12.547 0.197 327 2HG2 ILE 10 HG22 ILE 10 -6.237 -10.810 -0.112 328 3HG2 ILE 10 HG23 ILE 10 -5.298 -11.455 1.235 329 1HD1 ILE 10 HD11 ILE 10 -3.190 -14.883 0.254 330 2HD1 ILE 10 HD12 ILE 10 -4.280 -13.864 1.192 331 3HD1 ILE 10 HD13 ILE 10 -2.660 -13.290 0.795 332 H ASP 11 HN ASP 11 -3.326 -12.836 -3.367 333 HA ASP 11 HA ASP 11 -0.797 -11.752 -3.394 334 1HB ASP 11 HB2 ASP 11 -2.263 -13.508 -5.341 335 2HB ASP 11 HB1 ASP 11 -0.638 -12.944 -5.716 336 H ASP 12 HN ASP 12 -3.566 -10.976 -5.365 337 HA ASP 12 HA ASP 12 -2.219 -9.320 -7.245 338 1HB ASP 12 HB2 ASP 12 -4.623 -10.348 -7.334 339 2HB ASP 12 HB1 ASP 12 -5.087 -8.893 -6.459 340 H ILE 13 HN ILE 13 -4.006 -8.691 -4.258 341 HA ILE 13 HA ILE 13 -3.719 -5.897 -4.243 342 HB ILE 13 HB ILE 13 -3.869 -7.686 -1.814 343 1HG1 ILE 13 HG12 ILE 13 -6.140 -6.478 -3.407 344 2HG1 ILE 13 HG11 ILE 13 -5.669 -8.172 -3.461 345 1HG2 ILE 13 HG21 ILE 13 -5.247 -5.130 -1.724 346 2HG2 ILE 13 HG22 ILE 13 -3.513 -4.955 -1.991 347 3HG2 ILE 13 HG23 ILE 13 -4.103 -5.842 -0.585 348 1HD1 ILE 13 HD11 ILE 13 -6.329 -8.518 -1.220 349 2HD1 ILE 13 HD12 ILE 13 -7.634 -7.633 -2.008 350 3HD1 ILE 13 HD13 ILE 13 -6.517 -6.786 -0.939 351 H ASP 14 HN ASP 14 -1.753 -8.456 -2.750 352 HA ASP 14 HA ASP 14 0.106 -6.977 -1.389 353 1HB ASP 14 HB2 ASP 14 -0.165 -9.611 -1.953 354 2HB ASP 14 HB1 ASP 14 1.226 -9.220 -2.960 355 H HIS 15 HN HIS 15 -0.140 -7.479 -4.848 356 HA HIS 15 HA HIS 15 2.427 -6.349 -5.449 357 1HB HIS 15 HB2 HIS 15 1.091 -7.976 -6.901 358 2HB HIS 15 HB1 HIS 15 0.100 -6.593 -7.354 359 HD1 HIS 15 HD1 HIS 15 3.696 -5.890 -6.920 360 HD2 HIS 15 HD2 HIS 15 1.125 -6.958 -10.005 361 HE1 HIS 15 HE1 HIS 15 4.973 -5.449 -9.041 362 HE2 HIS 15 HE2 HIS 15 3.367 -6.025 -10.896 363 H GLU 16 HN GLU 16 -0.813 -5.166 -5.009 364 HA GLU 16 HA GLU 16 -0.229 -2.582 -6.162 365 1HB GLU 16 HB2 GLU 16 -2.648 -3.273 -4.510 366 2HB GLU 16 HB1 GLU 16 -2.495 -2.038 -5.752 367 1HG GLU 16 HG2 GLU 16 -2.149 -4.917 -6.461 368 2HG GLU 16 HG1 GLU 16 -3.766 -4.243 -6.253 369 H ILE 17 HN ILE 17 -0.441 -4.048 -2.998 370 HA ILE 17 HA ILE 17 -0.474 -1.705 -1.438 371 HB ILE 17 HB ILE 17 0.765 -4.350 -0.666 372 1HG1 ILE 17 HG12 ILE 17 -2.054 -3.608 -0.006 373 2HG1 ILE 17 HG11 ILE 17 -1.703 -4.266 -1.599 374 1HG2 ILE 17 HG21 ILE 17 1.277 -3.125 1.145 375 2HG2 ILE 17 HG22 ILE 17 -0.424 -3.348 1.557 376 3HG2 ILE 17 HG23 ILE 17 0.103 -1.868 0.754 377 1HD1 ILE 17 HD11 ILE 17 -1.850 -6.289 -0.727 378 2HD1 ILE 17 HD12 ILE 17 -2.018 -5.620 0.895 379 3HD1 ILE 17 HD13 ILE 17 -0.415 -5.942 0.237 380 H ALA 18 HN ALA 18 2.098 -3.562 -2.924 381 HA ALA 18 HA ALA 18 4.226 -2.166 -1.590 382 1HB ALA 18 HB1 ALA 18 5.423 -3.365 -3.711 383 2HB ALA 18 HB2 ALA 18 3.980 -4.362 -3.521 384 3HB ALA 18 HB3 ALA 18 5.094 -4.155 -2.169 385 H ASP 19 HN ASP 19 2.618 -1.968 -4.725 386 HA ASP 19 HA ASP 19 4.364 -0.282 -6.065 387 1HB ASP 19 HB2 ASP 19 1.450 -0.844 -6.231 388 2HB ASP 19 HB1 ASP 19 2.035 0.601 -7.050 389 H LEU 20 HN LEU 20 1.711 0.562 -3.869 390 HA LEU 20 HA LEU 20 2.008 3.365 -4.129 391 1HB LEU 20 HB2 LEU 20 0.930 2.007 -1.680 392 2HB LEU 20 HB1 LEU 20 0.486 3.567 -2.345 393 HG LEU 20 HG LEU 20 -0.286 0.836 -3.331 394 1HD1 LEU 20 HD11 LEU 20 -1.826 1.546 -1.758 395 2HD1 LEU 20 HD12 LEU 20 -2.552 2.075 -3.277 396 3HD1 LEU 20 HD13 LEU 20 -1.705 3.235 -2.253 397 1HD2 LEU 20 HD21 LEU 20 0.017 3.332 -4.864 398 2HD2 LEU 20 HD22 LEU 20 -1.526 2.499 -5.062 399 3HD2 LEU 20 HD23 LEU 20 -0.017 1.655 -5.414 400 H GLN 21 HN GLN 21 3.052 1.131 -1.558 401 HA GLN 21 HA GLN 21 4.320 2.898 0.116 402 1HB GLN 21 HB2 GLN 21 3.991 0.428 0.475 403 2HB GLN 21 HB1 GLN 21 5.388 0.155 -0.557 404 1HG GLN 21 HG2 GLN 21 6.271 2.001 1.311 405 2HG GLN 21 HG1 GLN 21 5.260 0.892 2.235 406 1HE2 GLN 21 HE21 GLN 21 5.793 -1.338 2.232 407 2HE2 GLN 21 HE22 GLN 21 7.407 -1.861 1.907 408 H ALA 22 HN ALA 22 5.470 1.610 -2.933 409 HA ALA 22 HA ALA 22 8.158 2.522 -2.644 410 1HB ALA 22 HB1 ALA 22 6.977 0.772 -4.309 411 2HB ALA 22 HB2 ALA 22 8.540 1.523 -4.633 412 3HB ALA 22 HB3 ALA 22 7.077 2.179 -5.367 413 H LYS 23 HN LYS 23 5.202 3.892 -3.935 414 HA LYS 23 HA LYS 23 6.424 6.099 -5.254 415 1HB LYS 23 HB2 LYS 23 3.632 5.406 -4.428 416 2HB LYS 23 HB1 LYS 23 3.993 7.042 -4.961 417 1HG LYS 23 HG2 LYS 23 4.229 6.435 -7.113 418 2HG LYS 23 HG1 LYS 23 4.982 4.892 -6.708 419 1HD LYS 23 HD2 LYS 23 2.813 4.541 -7.759 420 2HD LYS 23 HD1 LYS 23 2.790 3.991 -6.082 421 1HE LYS 23 HE2 LYS 23 0.759 5.250 -6.722 422 2HE LYS 23 HE1 LYS 23 1.644 5.991 -5.390 423 1HZ LYS 23 HZ1 LYS 23 0.802 7.341 -7.512 424 2HZ LYS 23 HZ2 LYS 23 2.345 6.913 -8.054 425 3HZ LYS 23 HZ3 LYS 23 2.167 7.787 -6.618 426 H ARG 24 HN ARG 24 5.265 5.530 -1.998 427 HA ARG 24 HA ARG 24 5.326 8.264 -1.176 428 1HB ARG 24 HB2 ARG 24 3.945 6.612 -0.020 429 2HB ARG 24 HB1 ARG 24 5.383 5.718 0.455 430 1HG ARG 24 HG2 ARG 24 5.789 7.064 2.188 431 2HG ARG 24 HG1 ARG 24 5.437 8.523 1.261 432 1HD ARG 24 HD2 ARG 24 2.958 7.553 1.477 433 2HD ARG 24 HD1 ARG 24 3.654 6.852 2.937 434 HE ARG 24 HE ARG 24 2.979 9.587 2.504 435 1HH1 ARG 24 HH11 ARG 24 5.218 7.492 4.169 436 2HH1 ARG 24 HH12 ARG 24 5.549 8.636 5.426 437 1HH2 ARG 24 HH21 ARG 24 3.413 11.093 4.155 438 2HH2 ARG 24 HH22 ARG 24 4.523 10.682 5.419 439 H THR 25 HN THR 25 7.587 5.550 -0.905 440 HA THR 25 HA THR 25 9.500 6.850 0.700 441 HB THR 25 HB THR 25 10.467 4.884 -1.287 442 HG1 THR 25 HG1 THR 25 8.598 4.173 0.724 443 1HG2 THR 25 HG21 THR 25 10.765 3.998 1.371 444 2HG2 THR 25 HG22 THR 25 11.163 5.716 1.335 445 3HG2 THR 25 HG23 THR 25 12.002 4.593 0.266 446 H ARG 26 HN ARG 26 9.470 6.330 -2.833 447 HA ARG 26 HA ARG 26 11.788 7.651 -3.497 448 1HB ARG 26 HB2 ARG 26 10.799 8.033 -5.706 449 2HB ARG 26 HB1 ARG 26 10.441 6.414 -5.123 450 1HG ARG 26 HG2 ARG 26 8.203 7.163 -4.456 451 2HG ARG 26 HG1 ARG 26 8.566 8.769 -5.090 452 1HD ARG 26 HD2 ARG 26 7.281 7.497 -6.707 453 2HD ARG 26 HD1 ARG 26 8.907 7.799 -7.317 454 HE ARG 26 HE ARG 26 9.069 5.351 -6.118 455 1HH1 ARG 26 HH11 ARG 26 7.073 6.735 -8.625 456 2HH1 ARG 26 HH12 ARG 26 6.855 5.231 -9.455 457 1HH2 ARG 26 HH21 ARG 26 8.784 3.372 -7.209 458 2HH2 ARG 26 HH22 ARG 26 7.825 3.322 -8.651 459 H LEU 27 HN LEU 27 8.567 9.022 -2.992 460 HA LEU 27 HA LEU 27 9.230 11.682 -3.643 461 1HB LEU 27 HB2 LEU 27 7.011 10.298 -2.283 462 2HB LEU 27 HB1 LEU 27 7.250 11.966 -1.796 463 HG LEU 27 HG LEU 27 5.585 11.672 -3.622 464 1HD1 LEU 27 HD11 LEU 27 6.268 13.828 -3.656 465 2HD1 LEU 27 HD12 LEU 27 6.952 13.333 -5.204 466 3HD1 LEU 27 HD13 LEU 27 7.976 13.403 -3.770 467 1HD2 LEU 27 HD21 LEU 27 6.920 9.805 -4.712 468 2HD2 LEU 27 HD22 LEU 27 7.931 11.075 -5.401 469 3HD2 LEU 27 HD23 LEU 27 6.212 11.009 -5.790 470 H VAL 28 HN VAL 28 9.476 9.812 -0.671 471 HA VAL 28 HA VAL 28 10.071 11.956 1.068 472 HB VAL 28 HB VAL 28 11.054 9.115 1.304 473 1HG1 VAL 28 HG11 VAL 28 12.215 10.408 2.875 474 2HG1 VAL 28 HG12 VAL 28 10.876 9.705 3.781 475 3HG1 VAL 28 HG13 VAL 28 10.795 11.384 3.250 476 1HG2 VAL 28 HG21 VAL 28 8.394 10.055 1.280 477 2HG2 VAL 28 HG22 VAL 28 8.788 9.676 2.956 478 3HG2 VAL 28 HG23 VAL 28 8.973 8.445 1.707 479 H GLN 29 HN GLN 29 12.101 9.824 -0.889 480 HA GLN 29 HA GLN 29 14.612 10.644 -0.051 481 1HB GLN 29 HB2 GLN 29 13.490 9.381 -2.455 482 2HB GLN 29 HB1 GLN 29 14.962 10.292 -2.758 483 1HG GLN 29 HG2 GLN 29 15.811 8.225 -2.285 484 2HG GLN 29 HG1 GLN 29 15.860 8.980 -0.692 485 1HE2 GLN 29 HE21 GLN 29 14.411 8.319 0.889 486 2HE2 GLN 29 HE22 GLN 29 13.510 6.850 0.759 487 H GLN 30 HN GLN 30 12.297 12.188 -2.158 488 HA GLN 30 HA GLN 30 14.032 14.212 -3.155 489 1HB GLN 30 HB2 GLN 30 11.018 14.257 -2.896 490 2HB GLN 30 HB1 GLN 30 11.989 15.316 -3.910 491 1HG GLN 30 HG2 GLN 30 12.658 12.656 -4.588 492 2HG GLN 30 HG1 GLN 30 10.900 12.759 -4.512 493 1HE2 GLN 30 HE21 GLN 30 9.882 14.484 -5.755 494 2HE2 GLN 30 HE22 GLN 30 10.604 14.980 -7.243 495 H HIS 31 HN HIS 31 12.049 13.841 -0.290 496 HA HIS 31 HA HIS 31 13.265 16.271 0.785 497 1HB HIS 31 HB2 HIS 31 11.165 17.125 1.662 498 2HB HIS 31 HB1 HIS 31 11.069 16.971 -0.089 499 HD1 HIS 31 HD1 HIS 31 9.932 14.517 -0.814 500 HD2 HIS 31 HD2 HIS 31 8.984 16.124 2.892 501 HE1 HIS 31 HE1 HIS 31 7.770 13.435 -0.144 502 HE2 HIS 31 HE2 HIS 31 7.350 14.253 2.200 503 HA PRO 32 HA PRO 32 13.269 12.657 3.727 504 1HB PRO 32 HB2 PRO 32 15.887 12.887 4.412 505 2HB PRO 32 HB1 PRO 32 15.338 11.952 3.016 506 1HG PRO 32 HG2 PRO 32 16.459 14.727 3.116 507 2HG PRO 32 HG1 PRO 32 16.812 13.419 1.972 508 1HD PRO 32 HD2 PRO 32 15.131 15.452 1.376 509 2HD PRO 32 HD1 PRO 32 14.903 13.811 0.739 510 H ARG 33 HN ARG 33 14.485 15.943 3.912 511 HA ARG 33 HA ARG 33 13.524 16.098 6.671 512 1HB ARG 33 HB2 ARG 33 16.246 17.055 5.767 513 2HB ARG 33 HB1 ARG 33 15.534 17.378 7.343 514 1HG ARG 33 HG2 ARG 33 16.353 15.477 8.114 515 2HG ARG 33 HG1 ARG 33 15.442 14.578 6.900 516 1HD ARG 33 HD2 ARG 33 17.236 14.744 5.330 517 2HD ARG 33 HD1 ARG 33 18.114 15.863 6.372 518 HE ARG 33 HE ARG 33 18.034 12.997 6.580 519 1HH1 ARG 33 HH11 ARG 33 18.577 15.977 8.313 520 2HH1 ARG 33 HH12 ARG 33 19.560 15.235 9.531 521 1HH2 ARG 33 HH21 ARG 33 19.327 12.019 8.181 522 2HH2 ARG 33 HH22 ARG 33 19.986 12.988 9.456 Start of MODEL 5 1 H CYS 1 HT1 CYS 1 9.698 27.071 -7.643 2 HA CYS 1 HA CYS 1 9.007 28.012 -4.943 3 1HB CYS 1 HB2 CYS 1 7.385 27.234 -7.323 4 2HB CYS 1 HB1 CYS 1 6.821 26.712 -5.739 5 HG CYS 1 HG CYS 1 6.164 29.029 -5.181 6 H GLY 2 HN GLY 2 9.413 26.518 -3.448 7 1HA GLY 2 HA2 GLY 2 8.998 23.731 -3.871 8 2HA GLY 2 HA1 GLY 2 10.710 24.121 -3.908 9 H GLY 3 HN GLY 3 8.924 22.594 -1.988 10 1HA GLY 3 HA2 GLY 3 10.281 23.326 0.384 11 2HA GLY 3 HA1 GLY 3 8.641 23.954 0.428 12 H ASP 4 HN ASP 4 7.303 22.694 1.519 13 HA ASP 4 HA ASP 4 7.904 19.855 1.805 14 1HB ASP 4 HB2 ASP 4 5.800 21.556 3.145 15 2HB ASP 4 HB1 ASP 4 6.164 19.878 3.537 16 H ASN 5 HN ASN 5 6.549 21.372 -0.576 17 HA ASN 5 HA ASN 5 3.925 20.549 -0.888 18 1HB ASN 5 HB2 ASN 5 5.587 21.941 -2.445 19 2HB ASN 5 HB1 ASN 5 5.718 20.389 -3.265 20 1HD2 ASN 5 HD21 ASN 5 3.049 22.149 -1.723 21 2HD2 ASN 5 HD22 ASN 5 1.994 22.087 -3.090 22 H ILE 6 HN ILE 6 6.873 18.757 -1.060 23 HA ILE 6 HA ILE 6 5.737 16.430 -2.311 24 HB ILE 6 HB ILE 6 8.325 16.607 -0.779 25 1HG1 ILE 6 HG12 ILE 6 7.899 17.121 -3.730 26 2HG1 ILE 6 HG11 ILE 6 8.172 18.379 -2.529 27 1HG2 ILE 6 HG21 ILE 6 7.557 14.820 -3.074 28 2HG2 ILE 6 HG22 ILE 6 7.423 14.364 -1.376 29 3HG2 ILE 6 HG23 ILE 6 9.005 14.722 -2.071 30 1HD1 ILE 6 HD11 ILE 6 10.251 16.517 -2.222 31 2HD1 ILE 6 HD12 ILE 6 10.343 18.159 -2.860 32 3HD1 ILE 6 HD13 ILE 6 10.071 16.802 -3.953 33 H GLU 7 HN GLU 7 6.744 17.394 0.934 34 HA GLU 7 HA GLU 7 6.250 15.012 2.289 35 1HB GLU 7 HB2 GLU 7 7.431 16.929 3.281 36 2HB GLU 7 HB1 GLU 7 5.927 17.840 3.312 37 1HG GLU 7 HG2 GLU 7 6.088 15.208 4.705 38 2HG GLU 7 HG1 GLU 7 6.786 16.644 5.453 39 H GLN 8 HN GLN 8 4.062 17.457 1.131 40 HA GLN 8 HA GLN 8 1.815 16.495 2.663 41 1HB GLN 8 HB2 GLN 8 2.334 18.888 1.562 42 2HB GLN 8 HB1 GLN 8 1.401 18.181 0.251 43 1HG GLN 8 HG2 GLN 8 -0.327 19.065 1.376 44 2HG GLN 8 HG1 GLN 8 -0.199 17.579 2.316 45 1HE2 GLN 8 HE21 GLN 8 1.363 20.770 2.218 46 2HE2 GLN 8 HE22 GLN 8 1.296 21.043 3.922 47 H LYS 9 HN LYS 9 2.985 16.288 -0.655 48 HA LYS 9 HA LYS 9 0.819 14.904 -1.764 49 1HB LYS 9 HB2 LYS 9 3.049 15.955 -2.799 50 2HB LYS 9 HB1 LYS 9 3.561 14.276 -2.729 51 1HG LYS 9 HG2 LYS 9 1.200 13.906 -3.881 52 2HG LYS 9 HG1 LYS 9 1.493 15.563 -4.411 53 1HD LYS 9 HD2 LYS 9 3.748 13.670 -4.686 54 2HD LYS 9 HD1 LYS 9 2.368 13.410 -5.753 55 1HE LYS 9 HE2 LYS 9 3.266 16.200 -5.526 56 2HE LYS 9 HE1 LYS 9 4.424 15.102 -6.276 57 1HZ LYS 9 HZ1 LYS 9 3.233 15.641 -8.100 58 2HZ LYS 9 HZ2 LYS 9 1.824 15.998 -7.235 59 3HZ LYS 9 HZ3 LYS 9 2.231 14.388 -7.560 60 H ILE 10 HN ILE 10 3.607 13.792 0.067 61 HA ILE 10 HA ILE 10 3.186 11.023 -0.466 62 HB ILE 10 HB ILE 10 4.637 10.652 1.549 63 1HG1 ILE 10 HG12 ILE 10 5.030 13.645 1.434 64 2HG1 ILE 10 HG11 ILE 10 4.066 12.824 2.657 65 1HG2 ILE 10 HG21 ILE 10 5.715 12.434 -0.627 66 2HG2 ILE 10 HG22 ILE 10 5.521 10.683 -0.716 67 3HG2 ILE 10 HG23 ILE 10 6.675 11.385 0.417 68 1HD1 ILE 10 HD11 ILE 10 6.295 13.368 3.467 69 2HD1 ILE 10 HD12 ILE 10 7.002 12.401 2.174 70 3HD1 ILE 10 HD13 ILE 10 6.029 11.626 3.424 71 H ASP 11 HN ASP 11 2.289 13.180 2.211 72 HA ASP 11 HA ASP 11 1.239 11.368 3.995 73 1HB ASP 11 HB2 ASP 11 1.387 13.885 4.269 74 2HB ASP 11 HB1 ASP 11 -0.091 13.998 3.319 75 H ASP 12 HN ASP 12 -0.082 12.552 0.994 76 HA ASP 12 HA ASP 12 -2.696 11.472 1.290 77 1HB ASP 12 HB2 ASP 12 -1.090 12.242 -1.157 78 2HB ASP 12 HB1 ASP 12 -2.765 11.701 -1.229 79 H ILE 13 HN ILE 13 0.231 10.340 -0.363 80 HA ILE 13 HA ILE 13 -0.787 7.898 -1.283 81 HB ILE 13 HB ILE 13 2.066 8.452 -0.453 82 1HG1 ILE 13 HG12 ILE 13 0.697 8.912 -3.114 83 2HG1 ILE 13 HG11 ILE 13 1.259 10.166 -2.014 84 1HG2 ILE 13 HG21 ILE 13 1.572 6.715 -2.744 85 2HG2 ILE 13 HG22 ILE 13 0.922 6.084 -1.231 86 3HG2 ILE 13 HG23 ILE 13 2.634 6.487 -1.353 87 1HD1 ILE 13 HD11 ILE 13 3.416 9.925 -2.630 88 2HD1 ILE 13 HD12 ILE 13 2.665 9.333 -4.111 89 3HD1 ILE 13 HD13 ILE 13 3.262 8.191 -2.908 90 H ASP 14 HN ASP 14 0.947 8.704 1.716 91 HA ASP 14 HA ASP 14 1.195 6.227 2.865 92 1HB ASP 14 HB2 ASP 14 1.657 8.766 3.705 93 2HB ASP 14 HB1 ASP 14 0.278 8.342 4.713 94 H HIS 15 HN HIS 15 -1.687 8.190 2.552 95 HA HIS 15 HA HIS 15 -3.280 6.593 4.322 96 1HB HIS 15 HB2 HIS 15 -3.658 9.051 3.626 97 2HB HIS 15 HB1 HIS 15 -4.363 8.382 2.158 98 HD1 HIS 15 HD1 HIS 15 -4.922 6.674 5.433 99 HD2 HIS 15 HD2 HIS 15 -6.927 9.261 2.873 100 HE1 HIS 15 HE1 HIS 15 -7.298 6.725 6.255 101 HE2 HIS 15 HE2 HIS 15 -8.472 8.365 4.744 102 H GLU 16 HN GLU 16 -2.445 6.556 0.951 103 HA GLU 16 HA GLU 16 -4.531 4.684 0.250 104 1HB GLU 16 HB2 GLU 16 -2.160 5.406 -1.458 105 2HB GLU 16 HB1 GLU 16 -3.746 4.850 -1.975 106 1HG GLU 16 HG2 GLU 16 -4.741 6.920 -1.528 107 2HG GLU 16 HG1 GLU 16 -3.379 7.458 -0.545 108 H ILE 17 HN ILE 17 -1.121 4.642 1.006 109 HA ILE 17 HA ILE 17 -0.522 2.031 0.136 110 HB ILE 17 HB ILE 17 0.773 3.486 2.445 111 1HG1 ILE 17 HG12 ILE 17 1.834 3.573 -0.349 112 2HG1 ILE 17 HG11 ILE 17 0.544 4.677 0.105 113 1HG2 ILE 17 HG21 ILE 17 1.355 1.037 0.940 114 2HG2 ILE 17 HG22 ILE 17 1.858 1.524 2.560 115 3HG2 ILE 17 HG23 ILE 17 2.732 2.120 1.148 116 1HD1 ILE 17 HD11 ILE 17 2.048 6.040 0.971 117 2HD1 ILE 17 HD12 ILE 17 3.332 4.898 0.573 118 3HD1 ILE 17 HD13 ILE 17 2.508 4.792 2.130 119 H ALA 18 HN ALA 18 -1.901 3.321 3.085 120 HA ALA 18 HA ALA 18 -1.744 0.843 4.537 121 1HB ALA 18 HB1 ALA 18 -1.942 2.273 6.223 122 2HB ALA 18 HB2 ALA 18 -3.629 2.518 5.772 123 3HB ALA 18 HB3 ALA 18 -2.378 3.578 5.122 124 H ASP 19 HN ASP 19 -4.197 2.584 2.698 125 HA ASP 19 HA ASP 19 -6.467 1.172 3.421 126 1HB ASP 19 HB2 ASP 19 -5.622 2.682 1.002 127 2HB ASP 19 HB1 ASP 19 -7.032 1.639 0.846 128 H LEU 20 HN LEU 20 -4.057 0.387 0.946 129 HA LEU 20 HA LEU 20 -5.372 -1.950 0.021 130 1HB LEU 20 HB2 LEU 20 -2.413 -1.487 -0.150 131 2HB LEU 20 HB1 LEU 20 -3.442 -2.375 -1.258 132 HG LEU 20 HG LEU 20 -3.223 0.607 -0.929 133 1HD1 LEU 20 HD11 LEU 20 -2.797 0.440 -3.391 134 2HD1 LEU 20 HD12 LEU 20 -2.736 -1.312 -3.194 135 3HD1 LEU 20 HD13 LEU 20 -1.561 -0.289 -2.369 136 1HD2 LEU 20 HD21 LEU 20 -5.051 0.896 -2.440 137 2HD2 LEU 20 HD22 LEU 20 -5.611 -0.110 -1.104 138 3HD2 LEU 20 HD23 LEU 20 -5.217 -0.846 -2.658 139 H GLN 21 HN GLN 21 -2.597 -1.478 2.201 140 HA GLN 21 HA GLN 21 -2.033 -4.110 2.790 141 1HB GLN 21 HB2 GLN 21 -0.982 -1.814 3.606 142 2HB GLN 21 HB1 GLN 21 -1.967 -2.138 5.026 143 1HG GLN 21 HG2 GLN 21 -0.430 -4.449 4.154 144 2HG GLN 21 HG1 GLN 21 0.574 -3.061 4.573 145 1HE2 GLN 21 HE21 GLN 21 1.400 -3.988 6.416 146 2HE2 GLN 21 HE22 GLN 21 0.456 -4.259 7.837 147 H ALA 22 HN ALA 22 -4.610 -2.087 4.043 148 HA ALA 22 HA ALA 22 -5.411 -3.880 6.114 149 1HB ALA 22 HB1 ALA 22 -6.928 -2.302 6.669 150 2HB ALA 22 HB2 ALA 22 -7.424 -2.036 4.997 151 3HB ALA 22 HB3 ALA 22 -5.946 -1.293 5.608 152 H LYS 23 HN LYS 23 -6.195 -3.491 2.731 153 HA LYS 23 HA LYS 23 -8.531 -5.107 2.725 154 1HB LYS 23 HB2 LYS 23 -6.688 -4.016 0.645 155 2HB LYS 23 HB1 LYS 23 -7.801 -5.299 0.191 156 1HG LYS 23 HG2 LYS 23 -9.613 -3.962 0.322 157 2HG LYS 23 HG1 LYS 23 -8.968 -3.035 1.677 158 1HD LYS 23 HD2 LYS 23 -9.059 -1.562 -0.185 159 2HD LYS 23 HD1 LYS 23 -7.362 -1.981 0.053 160 1HE LYS 23 HE2 LYS 23 -8.105 -2.010 -2.329 161 2HE LYS 23 HE1 LYS 23 -7.416 -3.531 -1.764 162 1HZ LYS 23 HZ1 LYS 23 -9.501 -4.532 -1.688 163 2HZ LYS 23 HZ2 LYS 23 -9.550 -3.630 -3.119 164 3HZ LYS 23 HZ3 LYS 23 -10.332 -3.058 -1.732 165 H ARG 24 HN ARG 24 -5.106 -5.777 2.423 166 HA ARG 24 HA ARG 24 -5.390 -8.442 1.456 167 1HB ARG 24 HB2 ARG 24 -3.230 -6.667 2.231 168 2HB ARG 24 HB1 ARG 24 -2.948 -8.305 2.805 169 1HG ARG 24 HG2 ARG 24 -3.613 -8.937 0.347 170 2HG ARG 24 HG1 ARG 24 -3.130 -7.271 0.028 171 1HD ARG 24 HD2 ARG 24 -1.006 -7.904 0.012 172 2HD ARG 24 HD1 ARG 24 -1.154 -8.407 1.694 173 HE ARG 24 HE ARG 24 -2.077 -10.322 -0.272 174 1HH1 ARG 24 HH11 ARG 24 0.581 -9.242 1.719 175 2HH1 ARG 24 HH12 ARG 24 1.394 -10.769 1.675 176 1HH2 ARG 24 HH21 ARG 24 -1.006 -12.328 -0.328 177 2HH2 ARG 24 HH22 ARG 24 0.495 -12.519 0.513 178 H THR 25 HN THR 25 -4.796 -7.077 4.686 179 HA THR 25 HA THR 25 -4.610 -9.517 6.061 180 HB THR 25 HB THR 25 -5.815 -7.219 7.480 181 HG1 THR 25 HG1 THR 25 -3.315 -7.098 6.172 182 1HG2 THR 25 HG21 THR 25 -3.412 -7.804 8.652 183 2HG2 THR 25 HG22 THR 25 -3.950 -9.370 8.046 184 3HG2 THR 25 HG23 THR 25 -4.984 -8.443 9.134 185 H ARG 26 HN ARG 26 -7.382 -7.283 5.817 186 HA ARG 26 HA ARG 26 -9.255 -8.740 7.204 187 1HB ARG 26 HB2 ARG 26 -10.957 -7.653 5.692 188 2HB ARG 26 HB1 ARG 26 -9.823 -6.550 6.459 189 1HG ARG 26 HG2 ARG 26 -9.637 -5.703 4.396 190 2HG ARG 26 HG1 ARG 26 -8.526 -7.051 4.148 191 1HD ARG 26 HD2 ARG 26 -9.858 -7.918 2.595 192 2HD ARG 26 HD1 ARG 26 -11.216 -7.935 3.718 193 HE ARG 26 HE ARG 26 -10.709 -6.020 1.637 194 1HH1 ARG 26 HH11 ARG 26 -12.311 -6.569 4.689 195 2HH1 ARG 26 HH12 ARG 26 -13.492 -5.330 4.434 196 1HH2 ARG 26 HH21 ARG 26 -12.263 -4.389 1.300 197 2HH2 ARG 26 HH22 ARG 26 -13.466 -4.093 2.509 198 H LEU 27 HN LEU 27 -8.316 -9.060 3.814 199 HA LEU 27 HA LEU 27 -10.185 -11.053 3.125 200 1HB LEU 27 HB2 LEU 27 -7.651 -10.015 1.985 201 2HB LEU 27 HB1 LEU 27 -8.144 -11.616 1.466 202 HG LEU 27 HG LEU 27 -10.169 -9.439 1.341 203 1HD1 LEU 27 HD11 LEU 27 -9.286 -8.323 -0.418 204 2HD1 LEU 27 HD12 LEU 27 -8.410 -9.732 -1.016 205 3HD1 LEU 27 HD13 LEU 27 -7.773 -8.809 0.345 206 1HD2 LEU 27 HD21 LEU 27 -10.909 -10.684 -0.595 207 2HD2 LEU 27 HD22 LEU 27 -10.709 -11.777 0.775 208 3HD2 LEU 27 HD23 LEU 27 -9.492 -11.729 -0.500 209 H VAL 28 HN VAL 28 -6.944 -11.180 4.518 210 HA VAL 28 HA VAL 28 -6.576 -13.969 4.365 211 HB VAL 28 HB VAL 28 -5.511 -12.143 6.514 212 1HG1 VAL 28 HG11 VAL 28 -3.779 -13.748 6.815 213 2HG1 VAL 28 HG12 VAL 28 -4.305 -14.668 5.406 214 3HG1 VAL 28 HG13 VAL 28 -5.312 -14.619 6.854 215 1HG2 VAL 28 HG21 VAL 28 -3.594 -12.683 4.473 216 2HG2 VAL 28 HG22 VAL 28 -4.237 -11.129 5.001 217 3HG2 VAL 28 HG23 VAL 28 -5.052 -12.032 3.725 218 H GLN 29 HN GLN 29 -7.957 -11.898 6.881 219 HA GLN 29 HA GLN 29 -8.429 -13.782 8.852 220 1HB GLN 29 HB2 GLN 29 -9.736 -11.226 8.055 221 2HB GLN 29 HB1 GLN 29 -10.599 -12.260 9.184 222 1HG GLN 29 HG2 GLN 29 -9.348 -11.544 10.857 223 2HG GLN 29 HG1 GLN 29 -7.880 -12.041 10.016 224 1HE2 GLN 29 HE21 GLN 29 -6.509 -10.411 10.167 225 2HE2 GLN 29 HE22 GLN 29 -6.856 -8.758 9.802 226 H GLN 30 HN GLN 30 -10.073 -13.207 5.839 227 HA GLN 30 HA GLN 30 -12.369 -14.804 6.393 228 1HB GLN 30 HB2 GLN 30 -11.789 -13.004 4.472 229 2HB GLN 30 HB1 GLN 30 -11.463 -14.488 3.587 230 1HG GLN 30 HG2 GLN 30 -13.686 -15.258 3.892 231 2HG GLN 30 HG1 GLN 30 -14.036 -13.978 5.053 232 1HE2 GLN 30 HE21 GLN 30 -13.441 -14.703 1.683 233 2HE2 GLN 30 HE22 GLN 30 -14.162 -13.267 1.047 234 H HIS 31 HN HIS 31 -9.156 -15.408 5.125 235 HA HIS 31 HA HIS 31 -9.758 -18.282 5.194 236 1HB HIS 31 HB2 HIS 31 -8.490 -18.679 3.147 237 2HB HIS 31 HB1 HIS 31 -9.838 -17.592 2.836 238 HD1 HIS 31 HD1 HIS 31 -9.024 -14.918 3.007 239 HD2 HIS 31 HD2 HIS 31 -6.195 -17.795 2.031 240 HE1 HIS 31 HE1 HIS 31 -7.166 -13.676 1.868 241 HE2 HIS 31 HE2 HIS 31 -5.375 -15.407 1.499 242 HA PRO 32 HA PRO 32 -5.835 -17.218 7.451 243 1HB PRO 32 HB2 PRO 32 -6.507 -18.231 9.849 244 2HB PRO 32 HB1 PRO 32 -7.002 -16.608 9.351 245 1HG PRO 32 HG2 PRO 32 -8.575 -19.155 9.344 246 2HG PRO 32 HG1 PRO 32 -9.079 -17.530 9.842 247 1HD PRO 32 HD2 PRO 32 -9.677 -18.627 7.407 248 2HD PRO 32 HD1 PRO 32 -9.532 -16.882 7.691 249 H ARG 33 HN ARG 33 -7.807 -20.125 7.337 250 HA ARG 33 HA ARG 33 -5.343 -21.723 7.213 251 1HB ARG 33 HB2 ARG 33 -6.389 -23.491 8.523 252 2HB ARG 33 HB1 ARG 33 -6.346 -21.993 9.442 253 1HG ARG 33 HG2 ARG 33 -8.783 -21.816 8.260 254 2HG ARG 33 HG1 ARG 33 -8.630 -23.559 8.489 255 1HD ARG 33 HD2 ARG 33 -7.984 -21.682 10.727 256 2HD ARG 33 HD1 ARG 33 -9.661 -22.096 10.375 257 HE ARG 33 HE ARG 33 -7.936 -24.381 10.630 258 1HH1 ARG 33 HH11 ARG 33 -9.936 -22.098 12.354 259 2HH1 ARG 33 HH12 ARG 33 -10.203 -23.158 13.698 260 1HH2 ARG 33 HH21 ARG 33 -8.287 -25.776 12.397 261 2HH2 ARG 33 HH22 ARG 33 -9.268 -25.245 13.722 262 H CYS 1 HN CYS 1 -14.387 -24.023 0.413 263 HA CYS 1 HA CYS 1 -15.024 -26.048 -1.589 264 1HB CYS 1 HB2 CYS 1 -16.332 -23.322 -1.619 265 2HB CYS 1 HB1 CYS 1 -16.570 -24.616 -2.788 266 HG CYS 1 HG CYS 1 -18.304 -24.264 -0.520 267 H GLY 2 HN GLY 2 -14.505 -22.516 -1.539 268 1HA GLY 2 HA2 GLY 2 -12.940 -22.443 -3.861 269 2HA GLY 2 HA1 GLY 2 -12.961 -21.203 -2.616 270 H GLY 3 HN GLY 3 -10.936 -23.073 -4.280 271 1HA GLY 3 HA2 GLY 3 -9.213 -23.881 -2.074 272 2HA GLY 3 HA1 GLY 3 -8.939 -24.200 -3.781 273 H ASP 4 HN ASP 4 -8.646 -21.831 -1.215 274 HA ASP 4 HA ASP 4 -7.258 -20.048 -0.932 275 1HB ASP 4 HB2 ASP 4 -5.774 -21.278 -3.253 276 2HB ASP 4 HB1 ASP 4 -5.151 -20.010 -2.202 277 H ASN 5 HN ASN 5 -9.464 -20.119 -3.069 278 HA ASN 5 HA ASN 5 -8.850 -18.471 -5.213 279 1HB ASN 5 HB2 ASN 5 -11.262 -19.389 -3.879 280 2HB ASN 5 HB1 ASN 5 -11.443 -17.737 -4.460 281 1HD2 ASN 5 HD21 ASN 5 -10.063 -17.678 -6.743 282 2HD2 ASN 5 HD22 ASN 5 -10.711 -18.795 -7.891 283 H ILE 6 HN ILE 6 -9.348 -17.742 -1.865 284 HA ILE 6 HA ILE 6 -9.576 -14.894 -2.235 285 HB ILE 6 HB ILE 6 -8.962 -16.358 0.325 286 1HG1 ILE 6 HG12 ILE 6 -11.712 -15.637 -0.696 287 2HG1 ILE 6 HG11 ILE 6 -11.008 -17.240 -0.886 288 1HG2 ILE 6 HG21 ILE 6 -8.662 -13.908 0.292 289 2HG2 ILE 6 HG22 ILE 6 -9.930 -14.435 1.401 290 3HG2 ILE 6 HG23 ILE 6 -10.356 -13.734 -0.160 291 1HD1 ILE 6 HD11 ILE 6 -12.553 -16.430 1.202 292 2HD1 ILE 6 HD12 ILE 6 -10.926 -16.233 1.852 293 3HD1 ILE 6 HD13 ILE 6 -11.443 -17.799 1.228 294 H GLU 7 HN GLU 7 -7.133 -17.176 -1.093 295 HA GLU 7 HA GLU 7 -5.124 -15.397 -0.384 296 1HB GLU 7 HB2 GLU 7 -5.358 -18.108 -0.431 297 2HB GLU 7 HB1 GLU 7 -4.216 -17.853 -1.743 298 1HG GLU 7 HG2 GLU 7 -2.607 -16.958 -0.346 299 2HG GLU 7 HG1 GLU 7 -3.779 -16.548 0.906 300 H GLN 8 HN GLN 8 -6.243 -16.365 -3.517 301 HA GLN 8 HA GLN 8 -3.930 -15.430 -4.942 302 1HB GLN 8 HB2 GLN 8 -5.830 -17.172 -5.618 303 2HB GLN 8 HB1 GLN 8 -6.573 -15.725 -6.288 304 1HG GLN 8 HG2 GLN 8 -5.375 -16.648 -8.059 305 2HG GLN 8 HG1 GLN 8 -4.359 -15.331 -7.475 306 1HE2 GLN 8 HE21 GLN 8 -2.305 -15.785 -7.161 307 2HE2 GLN 8 HE22 GLN 8 -1.635 -17.360 -6.922 308 H LYS 9 HN LYS 9 -7.154 -14.220 -4.197 309 HA LYS 9 HA LYS 9 -7.048 -11.873 -5.735 310 1HB LYS 9 HB2 LYS 9 -8.676 -12.845 -3.448 311 2HB LYS 9 HB1 LYS 9 -8.686 -11.115 -3.757 312 1HG LYS 9 HG2 LYS 9 -9.065 -12.220 -6.258 313 2HG LYS 9 HG1 LYS 9 -9.996 -13.270 -5.189 314 1HD LYS 9 HD2 LYS 9 -10.371 -10.468 -4.544 315 2HD LYS 9 HD1 LYS 9 -10.794 -10.817 -6.221 316 1HE LYS 9 HE2 LYS 9 -12.789 -11.279 -5.206 317 2HE LYS 9 HE1 LYS 9 -12.031 -12.869 -5.123 318 1HZ LYS 9 HZ1 LYS 9 -11.936 -10.873 -2.930 319 2HZ LYS 9 HZ2 LYS 9 -11.418 -12.482 -2.867 320 3HZ LYS 9 HZ3 LYS 9 -13.065 -12.130 -3.016 321 H ILE 10 HN ILE 10 -5.985 -12.587 -2.450 322 HA ILE 10 HA ILE 10 -5.359 -9.902 -1.762 323 HB ILE 10 HB ILE 10 -3.904 -10.941 0.002 324 1HG1 ILE 10 HG12 ILE 10 -5.149 -13.526 -0.947 325 2HG1 ILE 10 HG11 ILE 10 -3.477 -13.062 -1.248 326 1HG2 ILE 10 HG21 ILE 10 -6.079 -12.158 1.004 327 2HG2 ILE 10 HG22 ILE 10 -6.817 -11.239 -0.308 328 3HG2 ILE 10 HG23 ILE 10 -5.884 -10.406 0.937 329 1HD1 ILE 10 HD11 ILE 10 -4.743 -13.516 1.438 330 2HD1 ILE 10 HD12 ILE 10 -3.081 -12.989 1.169 331 3HD1 ILE 10 HD13 ILE 10 -3.603 -14.580 0.615 332 H ASP 11 HN ASP 11 -3.432 -12.592 -3.058 333 HA ASP 11 HA ASP 11 -0.907 -11.488 -2.951 334 1HB ASP 11 HB2 ASP 11 -1.464 -13.790 -3.770 335 2HB ASP 11 HB1 ASP 11 -2.011 -13.073 -5.283 336 H ASP 12 HN ASP 12 -3.554 -10.817 -5.119 337 HA ASP 12 HA ASP 12 -2.116 -9.224 -6.982 338 1HB ASP 12 HB2 ASP 12 -4.430 -10.215 -7.322 339 2HB ASP 12 HB1 ASP 12 -5.042 -8.942 -6.270 340 H ILE 13 HN ILE 13 -3.991 -8.525 -4.078 341 HA ILE 13 HA ILE 13 -3.721 -5.729 -4.108 342 HB ILE 13 HB ILE 13 -3.923 -7.494 -1.665 343 1HG1 ILE 13 HG12 ILE 13 -6.106 -6.347 -3.414 344 2HG1 ILE 13 HG11 ILE 13 -5.697 -8.050 -3.240 345 1HG2 ILE 13 HG21 ILE 13 -5.287 -4.927 -1.623 346 2HG2 ILE 13 HG22 ILE 13 -3.545 -4.768 -1.844 347 3HG2 ILE 13 HG23 ILE 13 -4.181 -5.639 -0.449 348 1HD1 ILE 13 HD11 ILE 13 -6.538 -6.414 -0.882 349 2HD1 ILE 13 HD12 ILE 13 -6.573 -8.164 -1.093 350 3HD1 ILE 13 HD13 ILE 13 -7.720 -7.149 -1.966 351 H ASP 14 HN ASP 14 -1.761 -8.278 -2.595 352 HA ASP 14 HA ASP 14 0.074 -6.779 -1.204 353 1HB ASP 14 HB2 ASP 14 -0.160 -9.389 -1.632 354 2HB ASP 14 HB1 ASP 14 1.106 -9.071 -2.814 355 H HIS 15 HN HIS 15 -0.159 -7.271 -4.660 356 HA HIS 15 HA HIS 15 2.403 -6.130 -5.257 357 1HB HIS 15 HB2 HIS 15 1.085 -7.760 -6.716 358 2HB HIS 15 HB1 HIS 15 0.073 -6.388 -7.155 359 HD1 HIS 15 HD1 HIS 15 3.262 -4.950 -6.856 360 HD2 HIS 15 HD2 HIS 15 1.488 -7.414 -9.691 361 HE1 HIS 15 HE1 HIS 15 4.624 -4.652 -8.949 362 HE2 HIS 15 HE2 HIS 15 3.584 -6.219 -10.626 363 H GLU 16 HN GLU 16 -0.839 -4.965 -4.799 364 HA GLU 16 HA GLU 16 -0.273 -2.372 -5.945 365 1HB GLU 16 HB2 GLU 16 -2.685 -3.079 -4.291 366 2HB GLU 16 HB1 GLU 16 -2.539 -1.842 -5.533 367 1HG GLU 16 HG2 GLU 16 -2.571 -3.425 -7.265 368 2HG GLU 16 HG1 GLU 16 -2.267 -4.763 -6.156 369 H ILE 17 HN ILE 17 -0.476 -3.851 -2.785 370 HA ILE 17 HA ILE 17 -0.515 -1.512 -1.217 371 HB ILE 17 HB ILE 17 0.724 -4.157 -0.448 372 1HG1 ILE 17 HG12 ILE 17 -2.098 -3.427 0.206 373 2HG1 ILE 17 HG11 ILE 17 -1.743 -4.070 -1.392 374 1HG2 ILE 17 HG21 ILE 17 1.215 -2.959 1.383 375 2HG2 ILE 17 HG22 ILE 17 -0.497 -3.147 1.765 376 3HG2 ILE 17 HG23 ILE 17 0.075 -1.678 0.972 377 1HD1 ILE 17 HD11 ILE 17 -2.218 -5.495 0.956 378 2HD1 ILE 17 HD12 ILE 17 -0.495 -5.679 0.628 379 3HD1 ILE 17 HD13 ILE 17 -1.679 -6.130 -0.598 380 H ALA 18 HN ALA 18 2.058 -3.363 -2.705 381 HA ALA 18 HA ALA 18 4.180 -1.948 -1.374 382 1HB ALA 18 HB1 ALA 18 3.953 -4.175 -3.278 383 2HB ALA 18 HB2 ALA 18 5.043 -3.954 -1.909 384 3HB ALA 18 HB3 ALA 18 5.400 -3.181 -3.453 385 H ASP 19 HN ASP 19 2.548 -1.792 -4.490 386 HA ASP 19 HA ASP 19 4.290 -0.142 -5.883 387 1HB ASP 19 HB2 ASP 19 2.094 -1.278 -6.654 388 2HB ASP 19 HB1 ASP 19 1.307 0.190 -6.083 389 H LEU 20 HN LEU 20 1.676 0.744 -3.656 390 HA LEU 20 HA LEU 20 1.995 3.543 -3.950 391 1HB LEU 20 HB2 LEU 20 0.924 2.216 -1.481 392 2HB LEU 20 HB1 LEU 20 0.489 3.774 -2.157 393 HG LEU 20 HG LEU 20 -0.338 1.041 -3.077 394 1HD1 LEU 20 HD11 LEU 20 -1.881 1.839 -1.561 395 2HD1 LEU 20 HD12 LEU 20 -2.565 2.370 -3.097 396 3HD1 LEU 20 HD13 LEU 20 -1.687 3.511 -2.080 397 1HD2 LEU 20 HD21 LEU 20 -0.082 1.747 -5.192 398 2HD2 LEU 20 HD22 LEU 20 0.092 3.435 -4.714 399 3HD2 LEU 20 HD23 LEU 20 -1.514 2.722 -4.867 400 H GLN 21 HN GLN 21 3.087 1.280 -1.428 401 HA GLN 21 HA GLN 21 4.382 3.056 0.238 402 1HB GLN 21 HB2 GLN 21 4.021 0.558 0.562 403 2HB GLN 21 HB1 GLN 21 5.464 0.317 -0.414 404 1HG GLN 21 HG2 GLN 21 6.858 0.996 1.225 405 2HG GLN 21 HG1 GLN 21 5.716 2.179 1.860 406 1HE2 GLN 21 HE21 GLN 21 7.347 0.124 3.207 407 2HE2 GLN 21 HE22 GLN 21 6.230 -0.830 4.116 408 H ALA 22 HN ALA 22 5.408 1.808 -2.855 409 HA ALA 22 HA ALA 22 8.133 2.650 -2.625 410 1HB ALA 22 HB1 ALA 22 7.994 2.352 -5.205 411 2HB ALA 22 HB2 ALA 22 6.421 1.637 -4.855 412 3HB ALA 22 HB3 ALA 22 7.881 0.938 -4.156 413 H LYS 23 HN LYS 23 5.163 4.062 -3.835 414 HA LYS 23 HA LYS 23 6.356 6.260 -5.178 415 1HB LYS 23 HB2 LYS 23 3.640 5.423 -4.409 416 2HB LYS 23 HB1 LYS 23 3.868 7.163 -4.515 417 1HG LYS 23 HG2 LYS 23 3.328 6.824 -6.668 418 2HG LYS 23 HG1 LYS 23 5.036 6.407 -6.813 419 1HD LYS 23 HD2 LYS 23 3.769 4.691 -7.891 420 2HD LYS 23 HD1 LYS 23 4.410 4.026 -6.388 421 1HE LYS 23 HE2 LYS 23 2.295 3.335 -6.069 422 2HE LYS 23 HE1 LYS 23 2.029 4.996 -5.542 423 1HZ LYS 23 HZ1 LYS 23 1.569 3.961 -8.288 424 2HZ LYS 23 HZ2 LYS 23 1.306 5.553 -7.778 425 3HZ LYS 23 HZ3 LYS 23 0.366 4.297 -7.146 426 H ARG 24 HN ARG 24 5.286 5.702 -1.883 427 HA ARG 24 HA ARG 24 5.455 8.408 -1.026 428 1HB ARG 24 HB2 ARG 24 4.133 6.763 0.197 429 2HB ARG 24 HB1 ARG 24 5.581 5.833 0.556 430 1HG ARG 24 HG2 ARG 24 6.179 7.177 2.251 431 2HG ARG 24 HG1 ARG 24 5.668 8.641 1.409 432 1HD ARG 24 HD2 ARG 24 3.278 7.454 1.871 433 2HD ARG 24 HD1 ARG 24 4.193 6.915 3.278 434 HE ARG 24 HE ARG 24 3.242 9.562 2.750 435 1HH1 ARG 24 HH11 ARG 24 5.722 7.719 4.373 436 2HH1 ARG 24 HH12 ARG 24 6.039 8.948 5.551 437 1HH2 ARG 24 HH21 ARG 24 3.659 11.179 4.297 438 2HH2 ARG 24 HH22 ARG 24 4.868 10.913 5.508 439 H THR 25 HN THR 25 7.701 5.673 -0.934 440 HA THR 25 HA THR 25 9.729 6.947 0.554 441 HB THR 25 HB THR 25 10.552 4.968 -1.477 442 HG1 THR 25 HG1 THR 25 8.819 4.230 0.639 443 1HG2 THR 25 HG21 THR 25 12.200 4.969 0.028 444 2HG2 THR 25 HG22 THR 25 11.131 3.900 0.937 445 3HG2 THR 25 HG23 THR 25 11.174 5.624 1.304 446 H ARG 26 HN ARG 26 9.489 6.389 -2.966 447 HA ARG 26 HA ARG 26 11.764 7.688 -3.788 448 1HB ARG 26 HB2 ARG 26 10.629 8.074 -5.930 449 2HB ARG 26 HB1 ARG 26 10.315 6.456 -5.321 450 1HG ARG 26 HG2 ARG 26 8.118 7.145 -4.555 451 2HG ARG 26 HG1 ARG 26 8.432 8.796 -5.093 452 1HD ARG 26 HD2 ARG 26 8.955 7.418 -7.362 453 2HD ARG 26 HD1 ARG 26 7.708 6.399 -6.642 454 HE ARG 26 HE ARG 26 6.166 8.029 -7.092 455 1HH1 ARG 26 HH11 ARG 26 9.363 9.397 -7.375 456 2HH1 ARG 26 HH12 ARG 26 8.800 10.899 -8.025 457 1HH2 ARG 26 HH21 ARG 26 5.422 10.004 -7.947 458 2HH2 ARG 26 HH22 ARG 26 6.561 11.244 -8.349 459 H LEU 27 HN LEU 27 8.609 9.089 -3.042 460 HA LEU 27 HA LEU 27 9.238 11.741 -3.769 461 1HB LEU 27 HB2 LEU 27 7.110 10.373 -2.274 462 2HB LEU 27 HB1 LEU 27 7.408 12.020 -1.750 463 HG LEU 27 HG LEU 27 6.975 12.862 -3.979 464 1HD1 LEU 27 HD11 LEU 27 6.030 11.168 -5.660 465 2HD1 LEU 27 HD12 LEU 27 6.856 9.953 -4.684 466 3HD1 LEU 27 HD13 LEU 27 7.780 11.246 -5.449 467 1HD2 LEU 27 HD21 LEU 27 4.990 11.161 -2.590 468 2HD2 LEU 27 HD22 LEU 27 4.574 11.731 -4.206 469 3HD2 LEU 27 HD23 LEU 27 4.961 12.890 -2.935 470 H VAL 28 HN VAL 28 9.631 9.903 -0.782 471 HA VAL 28 HA VAL 28 10.394 12.033 0.890 472 HB VAL 28 HB VAL 28 11.369 9.185 1.050 473 1HG1 VAL 28 HG11 VAL 28 10.888 10.722 3.502 474 2HG1 VAL 28 HG12 VAL 28 12.212 11.318 2.503 475 3HG1 VAL 28 HG13 VAL 28 12.222 9.650 3.076 476 1HG2 VAL 28 HG21 VAL 28 8.724 10.147 1.226 477 2HG2 VAL 28 HG22 VAL 28 9.239 9.766 2.869 478 3HG2 VAL 28 HG23 VAL 28 9.320 8.533 1.612 479 H GLN 29 HN GLN 29 12.265 9.886 -1.205 480 HA GLN 29 HA GLN 29 14.833 10.703 -0.554 481 1HB GLN 29 HB2 GLN 29 13.547 9.546 -2.971 482 2HB GLN 29 HB1 GLN 29 15.126 10.285 -3.195 483 1HG GLN 29 HG2 GLN 29 16.193 8.626 -2.141 484 2HG GLN 29 HG1 GLN 29 14.951 8.480 -0.898 485 1HE2 GLN 29 HE21 GLN 29 12.907 7.436 -1.606 486 2HE2 GLN 29 HE22 GLN 29 13.023 6.101 -2.697 487 H GLN 30 HN GLN 30 12.379 12.228 -2.516 488 HA GLN 30 HA GLN 30 14.030 14.233 -3.663 489 1HB GLN 30 HB2 GLN 30 11.058 14.379 -3.128 490 2HB GLN 30 HB1 GLN 30 11.967 15.323 -4.299 491 1HG GLN 30 HG2 GLN 30 12.574 12.886 -5.184 492 2HG GLN 30 HG1 GLN 30 11.018 12.529 -4.436 493 1HE2 GLN 30 HE21 GLN 30 12.260 13.023 -7.287 494 2HE2 GLN 30 HE22 GLN 30 11.011 13.923 -8.070 495 H HIS 31 HN HIS 31 12.314 13.901 -0.626 496 HA HIS 31 HA HIS 31 13.594 16.376 0.278 497 1HB HIS 31 HB2 HIS 31 11.585 17.129 1.433 498 2HB HIS 31 HB1 HIS 31 11.278 16.975 -0.292 499 HD1 HIS 31 HD1 HIS 31 10.333 14.302 -0.783 500 HD2 HIS 31 HD2 HIS 31 9.466 16.192 2.808 501 HE1 HIS 31 HE1 HIS 31 8.295 13.144 0.112 502 HE2 HIS 31 HE2 HIS 31 7.939 14.154 2.390 503 HA PRO 32 HA PRO 32 14.307 12.919 3.251 504 1HB PRO 32 HB2 PRO 32 16.882 13.570 3.785 505 2HB PRO 32 HB1 PRO 32 16.414 12.588 2.391 506 1HG PRO 32 HG2 PRO 32 17.054 15.511 2.518 507 2HG PRO 32 HG1 PRO 32 17.561 14.306 1.320 508 1HD PRO 32 HD2 PRO 32 15.521 16.035 0.880 509 2HD PRO 32 HD1 PRO 32 15.552 14.398 0.193 510 H ARG 33 HN ARG 33 14.306 16.322 3.403 511 HA ARG 33 HA ARG 33 15.205 16.852 5.982 512 1HB ARG 33 HB2 ARG 33 12.869 18.249 4.680 513 2HB ARG 33 HB1 ARG 33 13.998 18.909 5.856 514 1HG ARG 33 HG2 ARG 33 14.549 18.214 2.982 515 2HG ARG 33 HG1 ARG 33 14.533 19.815 3.722 516 1HD ARG 33 HD2 ARG 33 16.434 17.641 4.566 517 2HD ARG 33 HD1 ARG 33 16.811 18.800 3.291 518 HE ARG 33 HE ARG 33 15.987 20.016 5.765 519 1HH1 ARG 33 HH11 ARG 33 18.689 18.743 3.958 520 2HH1 ARG 33 HH12 ARG 33 19.865 19.678 4.817 521 1HH2 ARG 33 HH21 ARG 33 17.534 21.247 6.896 522 2HH2 ARG 33 HH22 ARG 33 19.211 21.100 6.486 Start of MODEL 6 1 H CYS 1 HT1 CYS 1 12.330 28.701 -3.914 2 HA CYS 1 HA CYS 1 11.953 27.573 -1.781 3 1HB CYS 1 HB2 CYS 1 10.088 27.807 -4.080 4 2HB CYS 1 HB1 CYS 1 9.500 26.914 -2.681 5 HG CYS 1 HG CYS 1 10.387 29.346 -1.469 6 H GLY 2 HN GLY 2 10.193 25.644 -1.301 7 1HA GLY 2 HA2 GLY 2 9.839 23.275 -2.165 8 2HA GLY 2 HA1 GLY 2 11.594 23.205 -2.193 9 H GLY 3 HN GLY 3 8.779 23.533 -0.090 10 1HA GLY 3 HA2 GLY 3 10.464 22.802 2.212 11 2HA GLY 3 HA1 GLY 3 8.878 23.550 2.311 12 H ASP 4 HN ASP 4 7.073 22.289 2.371 13 HA ASP 4 HA ASP 4 7.543 19.386 2.466 14 1HB ASP 4 HB2 ASP 4 5.359 21.030 3.745 15 2HB ASP 4 HB1 ASP 4 5.520 19.281 3.869 16 H ASN 5 HN ASN 5 6.721 21.343 0.188 17 HA ASN 5 HA ASN 5 4.144 20.848 -0.676 18 1HB ASN 5 HB2 ASN 5 5.762 22.421 -1.755 19 2HB ASN 5 HB1 ASN 5 6.587 21.030 -2.454 20 1HD2 ASN 5 HD21 ASN 5 3.171 21.907 -2.066 21 2HD2 ASN 5 HD22 ASN 5 2.763 21.739 -3.737 22 H ILE 6 HN ILE 6 6.941 18.807 -0.683 23 HA ILE 6 HA ILE 6 5.785 16.797 -2.402 24 HB ILE 6 HB ILE 6 8.212 16.542 -0.631 25 1HG1 ILE 6 HG12 ILE 6 8.208 17.357 -3.539 26 2HG1 ILE 6 HG11 ILE 6 8.264 18.526 -2.224 27 1HG2 ILE 6 HG21 ILE 6 7.249 14.465 -1.555 28 2HG2 ILE 6 HG22 ILE 6 8.877 14.797 -2.151 29 3HG2 ILE 6 HG23 ILE 6 7.480 15.111 -3.179 30 1HD1 ILE 6 HD11 ILE 6 10.267 16.330 -2.287 31 2HD1 ILE 6 HD12 ILE 6 10.401 17.965 -1.636 32 3HD1 ILE 6 HD13 ILE 6 10.451 17.702 -3.380 33 H GLU 7 HN GLU 7 6.496 17.222 1.030 34 HA GLU 7 HA GLU 7 5.718 14.733 1.985 35 1HB GLU 7 HB2 GLU 7 6.824 16.648 3.255 36 2HB GLU 7 HB1 GLU 7 5.210 17.317 3.451 37 1HG GLU 7 HG2 GLU 7 4.678 15.874 5.064 38 2HG GLU 7 HG1 GLU 7 5.408 14.511 4.218 39 H GLN 8 HN GLN 8 3.807 17.378 0.833 40 HA GLN 8 HA GLN 8 1.346 16.532 2.028 41 1HB GLN 8 HB2 GLN 8 2.047 18.883 1.106 42 2HB GLN 8 HB1 GLN 8 1.483 18.239 -0.432 43 1HG GLN 8 HG2 GLN 8 -0.655 18.482 0.125 44 2HG GLN 8 HG1 GLN 8 -0.407 17.792 1.728 45 1HE2 GLN 8 HE21 GLN 8 -1.719 19.311 2.718 46 2HE2 GLN 8 HE22 GLN 8 -1.238 20.957 2.924 47 H LYS 9 HN LYS 9 2.839 16.245 -1.160 48 HA LYS 9 HA LYS 9 0.736 14.929 -2.455 49 1HB LYS 9 HB2 LYS 9 3.256 15.810 -3.162 50 2HB LYS 9 HB1 LYS 9 3.395 14.063 -3.311 51 1HG LYS 9 HG2 LYS 9 1.296 14.144 -4.715 52 2HG LYS 9 HG1 LYS 9 1.489 15.898 -4.734 53 1HD LYS 9 HD2 LYS 9 2.728 15.529 -6.570 54 2HD LYS 9 HD1 LYS 9 3.989 15.065 -5.427 55 1HE LYS 9 HE2 LYS 9 3.837 12.879 -5.950 56 2HE LYS 9 HE1 LYS 9 2.083 12.936 -6.116 57 1HZ LYS 9 HZ1 LYS 9 2.237 13.663 -8.303 58 2HZ LYS 9 HZ2 LYS 9 3.470 12.510 -8.196 59 3HZ LYS 9 HZ3 LYS 9 3.849 14.157 -8.144 60 H ILE 10 HN ILE 10 3.495 13.655 -0.632 61 HA ILE 10 HA ILE 10 2.890 10.930 -1.112 62 HB ILE 10 HB ILE 10 4.283 10.502 0.948 63 1HG1 ILE 10 HG12 ILE 10 4.927 13.444 0.733 64 2HG1 ILE 10 HG11 ILE 10 3.841 12.774 1.946 65 1HG2 ILE 10 HG21 ILE 10 5.399 12.066 -1.366 66 2HG2 ILE 10 HG22 ILE 10 5.260 10.314 -1.214 67 3HG2 ILE 10 HG23 ILE 10 6.394 11.202 -0.196 68 1HD1 ILE 10 HD11 ILE 10 5.927 13.020 2.993 69 2HD1 ILE 10 HD12 ILE 10 6.783 12.298 1.629 70 3HD1 ILE 10 HD13 ILE 10 5.756 11.297 2.657 71 H ASP 11 HN ASP 11 2.061 13.147 1.535 72 HA ASP 11 HA ASP 11 0.922 11.422 3.340 73 1HB ASP 11 HB2 ASP 11 1.064 14.106 3.182 74 2HB ASP 11 HB1 ASP 11 -0.634 13.889 2.771 75 H ASP 12 HN ASP 12 -0.350 12.579 0.300 76 HA ASP 12 HA ASP 12 -2.986 11.558 0.596 77 1HB ASP 12 HB2 ASP 12 -1.393 12.116 -1.921 78 2HB ASP 12 HB1 ASP 12 -3.128 11.818 -1.862 79 H ILE 13 HN ILE 13 -0.063 10.330 -0.988 80 HA ILE 13 HA ILE 13 -1.119 7.884 -1.865 81 HB ILE 13 HB ILE 13 1.734 8.377 -1.004 82 1HG1 ILE 13 HG12 ILE 13 0.393 8.909 -3.666 83 2HG1 ILE 13 HG11 ILE 13 1.048 10.119 -2.567 84 1HG2 ILE 13 HG21 ILE 13 0.495 6.055 -1.846 85 2HG2 ILE 13 HG22 ILE 13 2.229 6.374 -1.847 86 3HG2 ILE 13 HG23 ILE 13 1.278 6.665 -3.304 87 1HD1 ILE 13 HD11 ILE 13 2.973 9.987 -3.637 88 2HD1 ILE 13 HD12 ILE 13 2.354 8.683 -4.649 89 3HD1 ILE 13 HD13 ILE 13 3.131 8.311 -3.110 90 H ASP 14 HN ASP 14 0.583 8.738 1.137 91 HA ASP 14 HA ASP 14 0.784 6.293 2.353 92 1HB ASP 14 HB2 ASP 14 1.240 8.858 3.138 93 2HB ASP 14 HB1 ASP 14 -0.147 8.447 4.141 94 H HIS 15 HN HIS 15 -2.074 8.272 1.939 95 HA HIS 15 HA HIS 15 -3.710 6.736 3.724 96 1HB HIS 15 HB2 HIS 15 -4.057 9.175 2.955 97 2HB HIS 15 HB1 HIS 15 -4.744 8.473 1.493 98 HD1 HIS 15 HD1 HIS 15 -5.661 6.279 4.136 99 HD2 HIS 15 HD2 HIS 15 -7.021 9.976 2.813 100 HE1 HIS 15 HE1 HIS 15 -7.975 6.522 5.087 101 HE2 HIS 15 HE2 HIS 15 -8.811 8.729 4.203 102 H GLU 16 HN GLU 16 -2.834 6.614 0.360 103 HA GLU 16 HA GLU 16 -4.913 4.722 -0.311 104 1HB GLU 16 HB2 GLU 16 -2.529 5.403 -2.017 105 2HB GLU 16 HB1 GLU 16 -4.114 4.837 -2.533 106 1HG GLU 16 HG2 GLU 16 -5.112 6.921 -2.106 107 2HG GLU 16 HG1 GLU 16 -3.724 7.484 -1.175 108 H ILE 17 HN ILE 17 -1.509 4.699 0.475 109 HA ILE 17 HA ILE 17 -0.905 2.068 -0.332 110 HB ILE 17 HB ILE 17 0.384 3.575 1.947 111 1HG1 ILE 17 HG12 ILE 17 1.461 3.605 -0.840 112 2HG1 ILE 17 HG11 ILE 17 0.155 4.708 -0.430 113 1HG2 ILE 17 HG21 ILE 17 1.459 1.610 2.102 114 2HG2 ILE 17 HG22 ILE 17 2.347 2.186 0.691 115 3HG2 ILE 17 HG23 ILE 17 0.973 1.099 0.486 116 1HD1 ILE 17 HD11 ILE 17 2.948 4.931 0.102 117 2HD1 ILE 17 HD12 ILE 17 2.054 4.931 1.622 118 3HD1 ILE 17 HD13 ILE 17 1.663 6.108 0.370 119 H ALA 18 HN ALA 18 -2.316 3.427 2.569 120 HA ALA 18 HA ALA 18 -2.141 0.994 4.093 121 1HB ALA 18 HB1 ALA 18 -2.189 2.665 5.602 122 2HB ALA 18 HB2 ALA 18 -3.937 2.481 5.454 123 3HB ALA 18 HB3 ALA 18 -3.102 3.740 4.542 124 H ASP 19 HN ASP 19 -4.614 2.665 2.208 125 HA ASP 19 HA ASP 19 -6.866 1.240 2.957 126 1HB ASP 19 HB2 ASP 19 -6.442 3.208 1.196 127 2HB ASP 19 HB1 ASP 19 -6.546 1.863 0.064 128 H LEU 20 HN LEU 20 -4.457 0.434 0.486 129 HA LEU 20 HA LEU 20 -5.724 -1.956 -0.366 130 1HB LEU 20 HB2 LEU 20 -2.774 -1.445 -0.554 131 2HB LEU 20 HB1 LEU 20 -3.791 -2.374 -1.639 132 HG LEU 20 HG LEU 20 -3.640 0.620 -1.372 133 1HD1 LEU 20 HD11 LEU 20 -3.185 0.400 -3.834 134 2HD1 LEU 20 HD12 LEU 20 -3.042 -1.339 -3.573 135 3HD1 LEU 20 HD13 LEU 20 -1.930 -0.232 -2.769 136 1HD2 LEU 20 HD21 LEU 20 -5.456 0.839 -2.889 137 2HD2 LEU 20 HD22 LEU 20 -6.005 -0.200 -1.575 138 3HD2 LEU 20 HD23 LEU 20 -5.553 -0.906 -3.127 139 H GLN 21 HN GLN 21 -2.978 -1.357 1.814 140 HA GLN 21 HA GLN 21 -2.326 -3.947 2.475 141 1HB GLN 21 HB2 GLN 21 -1.441 -1.543 3.280 142 2HB GLN 21 HB1 GLN 21 -2.357 -1.997 4.711 143 1HG GLN 21 HG2 GLN 21 -1.060 -4.181 4.656 144 2HG GLN 21 HG1 GLN 21 -0.004 -3.393 3.485 145 1HE2 GLN 21 HE21 GLN 21 1.807 -3.287 4.712 146 2HE2 GLN 21 HE22 GLN 21 1.939 -2.356 6.161 147 H ALA 22 HN ALA 22 -4.953 -1.969 3.724 148 HA ALA 22 HA ALA 22 -5.728 -3.733 5.807 149 1HB ALA 22 HB1 ALA 22 -6.639 -1.692 6.196 150 2HB ALA 22 HB2 ALA 22 -8.003 -2.418 5.347 151 3HB ALA 22 HB3 ALA 22 -6.891 -1.354 4.484 152 H LYS 23 HN LYS 23 -6.561 -3.460 2.410 153 HA LYS 23 HA LYS 23 -8.778 -5.206 2.423 154 1HB LYS 23 HB2 LYS 23 -6.943 -4.116 0.344 155 2HB LYS 23 HB1 LYS 23 -7.949 -5.493 -0.083 156 1HG LYS 23 HG2 LYS 23 -9.841 -4.276 -0.104 157 2HG LYS 23 HG1 LYS 23 -9.341 -3.275 1.260 158 1HD LYS 23 HD2 LYS 23 -9.413 -1.830 -0.606 159 2HD LYS 23 HD1 LYS 23 -7.704 -2.172 -0.332 160 1HE LYS 23 HE2 LYS 23 -8.143 -4.113 -2.041 161 2HE LYS 23 HE1 LYS 23 -9.504 -3.099 -2.523 162 1HZ LYS 23 HZ1 LYS 23 -7.711 -1.258 -2.612 163 2HZ LYS 23 HZ2 LYS 23 -7.829 -2.360 -3.890 164 3HZ LYS 23 HZ3 LYS 23 -6.620 -2.548 -2.721 165 H ARG 24 HN ARG 24 -5.322 -5.748 2.209 166 HA ARG 24 HA ARG 24 -5.509 -8.485 1.410 167 1HB ARG 24 HB2 ARG 24 -3.407 -6.573 2.040 168 2HB ARG 24 HB1 ARG 24 -3.050 -8.174 2.675 169 1HG ARG 24 HG2 ARG 24 -3.733 -8.943 0.265 170 2HG ARG 24 HG1 ARG 24 -3.342 -7.272 -0.141 171 1HD ARG 24 HD2 ARG 24 -1.181 -7.762 -0.145 172 2HD ARG 24 HD1 ARG 24 -1.285 -8.281 1.536 173 HE ARG 24 HE ARG 24 -2.091 -10.201 -0.496 174 1HH1 ARG 24 HH11 ARG 24 0.391 -9.099 1.703 175 2HH1 ARG 24 HH12 ARG 24 1.242 -10.607 1.689 176 1HH2 ARG 24 HH21 ARG 24 -0.968 -12.178 -0.514 177 2HH2 ARG 24 HH22 ARG 24 0.474 -12.351 0.431 178 H THR 25 HN THR 25 -4.918 -6.864 4.517 179 HA THR 25 HA THR 25 -4.549 -9.141 6.083 180 HB THR 25 HB THR 25 -5.991 -6.867 7.308 181 HG1 THR 25 HG1 THR 25 -3.498 -6.610 6.005 182 1HG2 THR 25 HG21 THR 25 -5.037 -8.400 8.823 183 2HG2 THR 25 HG22 THR 25 -4.017 -6.962 8.852 184 3HG2 THR 25 HG23 THR 25 -3.496 -8.395 7.968 185 H ARG 26 HN ARG 26 -7.534 -7.272 5.540 186 HA ARG 26 HA ARG 26 -9.263 -8.767 7.091 187 1HB ARG 26 HB2 ARG 26 -11.063 -7.964 5.601 188 2HB ARG 26 HB1 ARG 26 -9.950 -6.682 6.058 189 1HG ARG 26 HG2 ARG 26 -8.819 -6.920 3.886 190 2HG ARG 26 HG1 ARG 26 -9.999 -8.150 3.430 191 1HD ARG 26 HD2 ARG 26 -10.617 -5.998 2.494 192 2HD ARG 26 HD1 ARG 26 -11.800 -6.506 3.697 193 HE ARG 26 HE ARG 26 -9.806 -4.857 4.862 194 1HH1 ARG 26 HH11 ARG 26 -12.660 -4.743 2.857 195 2HH1 ARG 26 HH12 ARG 26 -13.068 -3.123 3.312 196 1HH2 ARG 26 HH21 ARG 26 -10.340 -2.726 5.463 197 2HH2 ARG 26 HH22 ARG 26 -11.750 -1.976 4.790 198 H LEU 27 HN LEU 27 -8.369 -9.266 3.698 199 HA LEU 27 HA LEU 27 -9.975 -11.529 3.257 200 1HB LEU 27 HB2 LEU 27 -7.677 -10.251 1.927 201 2HB LEU 27 HB1 LEU 27 -7.847 -11.970 1.621 202 HG LEU 27 HG LEU 27 -10.126 -11.611 0.791 203 1HD1 LEU 27 HD11 LEU 27 -11.052 -9.429 0.509 204 2HD1 LEU 27 HD12 LEU 27 -9.574 -8.666 1.094 205 3HD1 LEU 27 HD13 LEU 27 -10.580 -9.603 2.199 206 1HD2 LEU 27 HD21 LEU 27 -7.804 -10.188 -0.420 207 2HD2 LEU 27 HD22 LEU 27 -9.395 -10.025 -1.164 208 3HD2 LEU 27 HD23 LEU 27 -8.667 -11.621 -0.979 209 H VAL 28 HN VAL 28 -6.779 -11.128 4.668 210 HA VAL 28 HA VAL 28 -6.070 -13.872 4.708 211 HB VAL 28 HB VAL 28 -5.179 -11.755 6.660 212 1HG1 VAL 28 HG11 VAL 28 -4.370 -14.528 6.091 213 2HG1 VAL 28 HG12 VAL 28 -4.258 -13.595 7.583 214 3HG1 VAL 28 HG13 VAL 28 -3.056 -13.373 6.311 215 1HG2 VAL 28 HG21 VAL 28 -4.786 -11.836 3.860 216 2HG2 VAL 28 HG22 VAL 28 -3.250 -12.254 4.619 217 3HG2 VAL 28 HG23 VAL 28 -4.055 -10.741 5.032 218 H GLN 29 HN GLN 29 -7.663 -11.746 7.041 219 HA GLN 29 HA GLN 29 -7.875 -13.445 9.209 220 1HB GLN 29 HB2 GLN 29 -9.971 -11.504 8.210 221 2HB GLN 29 HB1 GLN 29 -9.885 -12.172 9.835 222 1HG GLN 29 HG2 GLN 29 -7.452 -10.814 8.907 223 2HG GLN 29 HG1 GLN 29 -8.868 -9.783 9.108 224 1HE2 GLN 29 HE21 GLN 29 -6.318 -10.013 10.621 225 2HE2 GLN 29 HE22 GLN 29 -6.791 -10.239 12.266 226 H GLN 30 HN GLN 30 -9.575 -13.457 6.175 227 HA GLN 30 HA GLN 30 -11.605 -15.316 6.981 228 1HB GLN 30 HB2 GLN 30 -10.736 -14.065 4.419 229 2HB GLN 30 HB1 GLN 30 -11.690 -15.539 4.333 230 1HG GLN 30 HG2 GLN 30 -13.425 -14.458 5.708 231 2HG GLN 30 HG1 GLN 30 -12.479 -12.970 5.687 232 1HE2 GLN 30 HE21 GLN 30 -11.651 -12.725 3.171 233 2HE2 GLN 30 HE22 GLN 30 -12.984 -12.612 2.079 234 H HIS 31 HN HIS 31 -8.403 -15.509 5.555 235 HA HIS 31 HA HIS 31 -8.506 -18.418 5.908 236 1HB HIS 31 HB2 HIS 31 -7.476 -18.869 3.783 237 2HB HIS 31 HB1 HIS 31 -8.916 -17.899 3.501 238 HD1 HIS 31 HD1 HIS 31 -8.166 -15.135 3.525 239 HD2 HIS 31 HD2 HIS 31 -5.455 -17.997 2.228 240 HE1 HIS 31 HE1 HIS 31 -6.519 -13.902 2.086 241 HE2 HIS 31 HE2 HIS 31 -4.770 -15.617 1.507 242 HA PRO 32 HA PRO 32 -4.620 -16.375 7.565 243 1HB PRO 32 HB2 PRO 32 -4.949 -17.018 10.165 244 2HB PRO 32 HB1 PRO 32 -5.659 -15.562 9.456 245 1HG PRO 32 HG2 PRO 32 -6.938 -18.207 10.032 246 2HG PRO 32 HG1 PRO 32 -7.570 -16.574 10.312 247 1HD PRO 32 HD2 PRO 32 -8.287 -18.100 8.174 248 2HD PRO 32 HD1 PRO 32 -8.243 -16.326 8.129 249 H ARG 33 HN ARG 33 -6.180 -19.463 8.207 250 HA ARG 33 HA ARG 33 -3.550 -20.761 8.030 251 1HB ARG 33 HB2 ARG 33 -5.719 -21.511 9.999 252 2HB ARG 33 HB1 ARG 33 -4.184 -22.342 9.790 253 1HG ARG 33 HG2 ARG 33 -3.074 -20.858 11.039 254 2HG ARG 33 HG1 ARG 33 -3.915 -19.481 10.326 255 1HD ARG 33 HD2 ARG 33 -4.919 -19.299 12.318 256 2HD ARG 33 HD1 ARG 33 -5.895 -20.668 11.789 257 HE ARG 33 HE ARG 33 -3.737 -21.853 12.898 258 1HH1 ARG 33 HH11 ARG 33 -5.942 -19.397 14.030 259 2HH1 ARG 33 HH12 ARG 33 -5.783 -19.844 15.696 260 1HH2 ARG 33 HH21 ARG 33 -3.526 -22.443 15.089 261 2HH2 ARG 33 HH22 ARG 33 -4.411 -21.573 16.297 262 H CYS 1 HN CYS 1 -15.430 -19.847 -3.008 263 HA CYS 1 HA CYS 1 -13.671 -18.730 -2.070 264 1HB CYS 1 HB2 CYS 1 -15.161 -19.839 0.295 265 2HB CYS 1 HB1 CYS 1 -13.724 -18.846 0.517 266 HG CYS 1 HG CYS 1 -16.214 -17.595 0.411 267 H GLY 2 HN GLY 2 -13.992 -22.067 -1.008 268 1HA GLY 2 HA2 GLY 2 -11.435 -22.393 0.112 269 2HA GLY 2 HA1 GLY 2 -12.427 -23.683 -0.551 270 H GLY 3 HN GLY 3 -9.736 -23.866 -0.811 271 1HA GLY 3 HA2 GLY 3 -8.359 -24.569 -2.559 272 2HA GLY 3 HA1 GLY 3 -9.450 -23.796 -3.698 273 H ASP 4 HN ASP 4 -8.201 -22.087 -0.929 274 HA ASP 4 HA ASP 4 -6.818 -20.291 -0.721 275 1HB ASP 4 HB2 ASP 4 -5.509 -21.463 -3.174 276 2HB ASP 4 HB1 ASP 4 -4.820 -20.199 -2.160 277 H ASN 5 HN ASN 5 -9.185 -20.347 -2.677 278 HA ASN 5 HA ASN 5 -8.764 -18.650 -4.829 279 1HB ASN 5 HB2 ASN 5 -10.941 -19.910 -3.827 280 2HB ASN 5 HB1 ASN 5 -11.294 -18.256 -3.335 281 1HD2 ASN 5 HD21 ASN 5 -9.781 -19.674 -6.213 282 2HD2 ASN 5 HD22 ASN 5 -10.843 -18.922 -7.351 283 H ILE 6 HN ILE 6 -9.025 -17.995 -1.437 284 HA ILE 6 HA ILE 6 -9.334 -15.154 -1.692 285 HB ILE 6 HB ILE 6 -8.359 -16.652 0.732 286 1HG1 ILE 6 HG12 ILE 6 -11.153 -16.080 0.900 287 2HG1 ILE 6 HG11 ILE 6 -10.864 -16.952 -0.602 288 1HG2 ILE 6 HG21 ILE 6 -9.935 -14.096 0.497 289 2HG2 ILE 6 HG22 ILE 6 -8.189 -14.187 0.727 290 3HG2 ILE 6 HG23 ILE 6 -9.276 -14.806 1.971 291 1HD1 ILE 6 HD11 ILE 6 -10.606 -18.865 0.480 292 2HD1 ILE 6 HD12 ILE 6 -11.159 -18.031 1.932 293 3HD1 ILE 6 HD13 ILE 6 -9.433 -18.156 1.590 294 H GLU 7 HN GLU 7 -6.702 -17.371 -0.873 295 HA GLU 7 HA GLU 7 -4.678 -15.536 -0.382 296 1HB GLU 7 HB2 GLU 7 -4.804 -18.216 -0.349 297 2HB GLU 7 HB1 GLU 7 -3.953 -18.001 -1.872 298 1HG GLU 7 HG2 GLU 7 -2.928 -16.454 0.416 299 2HG GLU 7 HG1 GLU 7 -2.732 -18.203 0.504 300 H GLN 8 HN GLN 8 -6.065 -16.597 -3.393 301 HA GLN 8 HA GLN 8 -3.977 -15.528 -5.047 302 1HB GLN 8 HB2 GLN 8 -5.603 -17.408 -5.652 303 2HB GLN 8 HB1 GLN 8 -6.798 -16.146 -5.910 304 1HG GLN 8 HG2 GLN 8 -4.296 -15.617 -7.288 305 2HG GLN 8 HG1 GLN 8 -5.043 -17.137 -7.779 306 1HE2 GLN 8 HE21 GLN 8 -4.694 -14.667 -9.281 307 2HE2 GLN 8 HE22 GLN 8 -6.276 -14.170 -9.765 308 H LYS 9 HN LYS 9 -7.173 -14.495 -3.981 309 HA LYS 9 HA LYS 9 -7.352 -12.150 -5.511 310 1HB LYS 9 HB2 LYS 9 -8.788 -13.371 -3.300 311 2HB LYS 9 HB1 LYS 9 -8.713 -11.622 -3.133 312 1HG LYS 9 HG2 LYS 9 -9.665 -11.364 -5.367 313 2HG LYS 9 HG1 LYS 9 -9.739 -13.119 -5.537 314 1HD LYS 9 HD2 LYS 9 -11.910 -12.431 -4.897 315 2HD LYS 9 HD1 LYS 9 -11.174 -13.130 -3.452 316 1HE LYS 9 HE2 LYS 9 -10.468 -10.691 -2.935 317 2HE LYS 9 HE1 LYS 9 -11.719 -10.258 -4.099 318 1HZ LYS 9 HZ1 LYS 9 -12.264 -12.053 -1.811 319 2HZ LYS 9 HZ2 LYS 9 -13.374 -11.213 -2.773 320 3HZ LYS 9 HZ3 LYS 9 -12.395 -10.371 -1.680 321 H ILE 10 HN ILE 10 -5.972 -12.773 -2.318 322 HA ILE 10 HA ILE 10 -5.397 -10.049 -1.748 323 HB ILE 10 HB ILE 10 -3.778 -10.985 -0.071 324 1HG1 ILE 10 HG12 ILE 10 -5.021 -13.638 -0.805 325 2HG1 ILE 10 HG11 ILE 10 -3.406 -13.142 -1.303 326 1HG2 ILE 10 HG21 ILE 10 -6.024 -10.345 0.541 327 2HG2 ILE 10 HG22 ILE 10 -5.558 -11.805 1.415 328 3HG2 ILE 10 HG23 ILE 10 -6.638 -11.916 0.025 329 1HD1 ILE 10 HD11 ILE 10 -2.874 -12.856 1.140 330 2HD1 ILE 10 HD12 ILE 10 -3.133 -14.510 0.587 331 3HD1 ILE 10 HD13 ILE 10 -4.403 -13.667 1.474 332 H ASP 11 HN ASP 11 -3.482 -12.709 -3.120 333 HA ASP 11 HA ASP 11 -0.990 -11.546 -3.217 334 1HB ASP 11 HB2 ASP 11 -2.424 -13.501 -4.949 335 2HB ASP 11 HB1 ASP 11 -0.929 -12.809 -5.571 336 H ASP 12 HN ASP 12 -3.795 -10.940 -5.201 337 HA ASP 12 HA ASP 12 -2.514 -9.324 -7.159 338 1HB ASP 12 HB2 ASP 12 -4.751 -10.343 -7.494 339 2HB ASP 12 HB1 ASP 12 -5.405 -9.279 -6.253 340 H ILE 13 HN ILE 13 -4.310 -8.617 -4.194 341 HA ILE 13 HA ILE 13 -4.094 -5.822 -4.279 342 HB ILE 13 HB ILE 13 -4.157 -7.534 -1.792 343 1HG1 ILE 13 HG12 ILE 13 -6.422 -6.529 -3.524 344 2HG1 ILE 13 HG11 ILE 13 -5.971 -8.208 -3.247 345 1HG2 ILE 13 HG21 ILE 13 -3.874 -4.804 -2.051 346 2HG2 ILE 13 HG22 ILE 13 -4.435 -5.658 -0.614 347 3HG2 ILE 13 HG23 ILE 13 -5.602 -5.009 -1.768 348 1HD1 ILE 13 HD11 ILE 13 -6.486 -6.871 -0.755 349 2HD1 ILE 13 HD12 ILE 13 -7.239 -8.312 -1.438 350 3HD1 ILE 13 HD13 ILE 13 -7.856 -6.714 -1.855 351 H ASP 14 HN ASP 14 -2.027 -8.278 -2.751 352 HA ASP 14 HA ASP 14 -0.188 -6.696 -1.468 353 1HB ASP 14 HB2 ASP 14 -0.391 -9.350 -1.907 354 2HB ASP 14 HB1 ASP 14 0.945 -8.972 -2.991 355 H HIS 15 HN HIS 15 -0.497 -7.313 -4.900 356 HA HIS 15 HA HIS 15 2.026 -6.146 -5.600 357 1HB HIS 15 HB2 HIS 15 0.677 -7.836 -6.972 358 2HB HIS 15 HB1 HIS 15 -0.343 -6.477 -7.435 359 HD1 HIS 15 HD1 HIS 15 3.013 -5.256 -7.172 360 HD2 HIS 15 HD2 HIS 15 0.862 -7.361 -10.036 361 HE1 HIS 15 HE1 HIS 15 4.292 -4.969 -9.318 362 HE2 HIS 15 HE2 HIS 15 3.019 -6.325 -11.018 363 H GLU 16 HN GLU 16 -1.222 -5.022 -5.091 364 HA GLU 16 HA GLU 16 -0.731 -2.450 -6.315 365 1HB GLU 16 HB2 GLU 16 -3.090 -3.166 -4.590 366 2HB GLU 16 HB1 GLU 16 -2.997 -1.952 -5.860 367 1HG GLU 16 HG2 GLU 16 -2.650 -4.864 -6.463 368 2HG GLU 16 HG1 GLU 16 -4.250 -4.133 -6.340 369 H ILE 17 HN ILE 17 -0.829 -3.850 -3.115 370 HA ILE 17 HA ILE 17 -0.874 -1.458 -1.618 371 HB ILE 17 HB ILE 17 0.403 -4.062 -0.776 372 1HG1 ILE 17 HG12 ILE 17 -2.422 -3.353 -0.117 373 2HG1 ILE 17 HG11 ILE 17 -2.075 -4.041 -1.698 374 1HG2 ILE 17 HG21 ILE 17 -0.274 -1.545 0.563 375 2HG2 ILE 17 HG22 ILE 17 0.893 -2.791 1.005 376 3HG2 ILE 17 HG23 ILE 17 -0.811 -2.995 1.413 377 1HD1 ILE 17 HD11 ILE 17 -2.509 -5.401 0.692 378 2HD1 ILE 17 HD12 ILE 17 -0.783 -5.562 0.365 379 3HD1 ILE 17 HD13 ILE 17 -1.962 -6.074 -0.842 380 H ALA 18 HN ALA 18 1.684 -3.301 -3.134 381 HA ALA 18 HA ALA 18 3.816 -1.852 -1.852 382 1HB ALA 18 HB1 ALA 18 5.026 -3.093 -3.922 383 2HB ALA 18 HB2 ALA 18 3.587 -4.096 -3.743 384 3HB ALA 18 HB3 ALA 18 4.677 -3.867 -2.376 385 H ASP 19 HN ASP 19 2.153 -1.775 -4.961 386 HA ASP 19 HA ASP 19 3.842 -0.117 -6.398 387 1HB ASP 19 HB2 ASP 19 0.929 -0.700 -6.457 388 2HB ASP 19 HB1 ASP 19 1.472 0.733 -7.325 389 H LEU 20 HN LEU 20 1.290 0.762 -4.105 390 HA LEU 20 HA LEU 20 1.585 3.568 -4.450 391 1HB LEU 20 HB2 LEU 20 0.515 2.267 -1.969 392 2HB LEU 20 HB1 LEU 20 0.078 3.815 -2.663 393 HG LEU 20 HG LEU 20 -0.727 1.072 -3.582 394 1HD1 LEU 20 HD11 LEU 20 -2.108 3.506 -2.539 395 2HD1 LEU 20 HD12 LEU 20 -2.258 1.825 -2.029 396 3HD1 LEU 20 HD13 LEU 20 -2.978 2.351 -3.550 397 1HD2 LEU 20 HD21 LEU 20 -1.183 3.632 -5.105 398 2HD2 LEU 20 HD22 LEU 20 -1.684 2.005 -5.568 399 3HD2 LEU 20 HD23 LEU 20 0.029 2.425 -5.534 400 H GLN 21 HN GLN 21 2.693 1.321 -1.927 401 HA GLN 21 HA GLN 21 3.989 3.125 -0.280 402 1HB GLN 21 HB2 GLN 21 3.648 0.449 -0.243 403 2HB GLN 21 HB1 GLN 21 5.348 0.526 -0.687 404 1HG GLN 21 HG2 GLN 21 4.620 2.281 1.532 405 2HG GLN 21 HG1 GLN 21 4.374 0.566 1.855 406 1HE2 GLN 21 HE21 GLN 21 6.025 -0.153 2.987 407 2HE2 GLN 21 HE22 GLN 21 7.693 0.170 2.675 408 H ALA 22 HN ALA 22 5.130 1.604 -3.241 409 HA ALA 22 HA ALA 22 7.822 2.440 -3.052 410 1HB ALA 22 HB1 ALA 22 6.503 0.760 -4.689 411 2HB ALA 22 HB2 ALA 22 8.104 1.412 -5.040 412 3HB ALA 22 HB3 ALA 22 6.673 2.160 -5.750 413 H LYS 23 HN LYS 23 4.940 3.935 -4.406 414 HA LYS 23 HA LYS 23 6.291 6.091 -5.674 415 1HB LYS 23 HB2 LYS 23 3.442 5.542 -4.920 416 2HB LYS 23 HB1 LYS 23 3.907 7.138 -5.492 417 1HG LYS 23 HG2 LYS 23 3.904 6.459 -7.600 418 2HG LYS 23 HG1 LYS 23 4.966 5.102 -7.226 419 1HD LYS 23 HD2 LYS 23 3.200 3.832 -7.777 420 2HD LYS 23 HD1 LYS 23 2.593 4.258 -6.175 421 1HE LYS 23 HE2 LYS 23 0.986 5.598 -7.002 422 2HE LYS 23 HE1 LYS 23 2.029 6.232 -8.274 423 1HZ LYS 23 HZ1 LYS 23 1.000 3.475 -8.436 424 2HZ LYS 23 HZ2 LYS 23 1.508 4.497 -9.684 425 3HZ LYS 23 HZ3 LYS 23 0.027 4.775 -8.914 426 H ARG 24 HN ARG 24 5.020 5.562 -2.456 427 HA ARG 24 HA ARG 24 5.154 8.288 -1.624 428 1HB ARG 24 HB2 ARG 24 3.689 6.717 -0.488 429 2HB ARG 24 HB1 ARG 24 5.064 5.725 -0.023 430 1HG ARG 24 HG2 ARG 24 5.532 7.000 1.747 431 2HG ARG 24 HG1 ARG 24 5.292 8.499 0.847 432 1HD ARG 24 HD2 ARG 24 2.760 7.790 1.008 433 2HD ARG 24 HD1 ARG 24 3.337 6.871 2.398 434 HE ARG 24 HE ARG 24 2.944 9.680 2.260 435 1HH1 ARG 24 HH11 ARG 24 5.011 7.242 3.660 436 2HH1 ARG 24 HH12 ARG 24 5.453 8.220 5.021 437 1HH2 ARG 24 HH21 ARG 24 3.524 10.967 4.048 438 2HH2 ARG 24 HH22 ARG 24 4.609 10.335 5.241 439 H THR 25 HN THR 25 7.302 5.490 -1.253 440 HA THR 25 HA THR 25 9.226 6.728 0.375 441 HB THR 25 HB THR 25 10.155 4.723 -1.592 442 HG1 THR 25 HG1 THR 25 8.452 3.539 -1.296 443 1HG2 THR 25 HG21 THR 25 10.720 3.609 0.709 444 2HG2 THR 25 HG22 THR 25 10.501 5.254 1.305 445 3HG2 THR 25 HG23 THR 25 11.706 4.920 0.061 446 H ARG 26 HN ARG 26 9.244 6.205 -3.154 447 HA ARG 26 HA ARG 26 11.618 7.432 -3.790 448 1HB ARG 26 HB2 ARG 26 10.627 7.907 -6.004 449 2HB ARG 26 HB1 ARG 26 10.283 6.272 -5.454 450 1HG ARG 26 HG2 ARG 26 8.041 6.959 -4.787 451 2HG ARG 26 HG1 ARG 26 8.385 8.607 -5.318 452 1HD ARG 26 HD2 ARG 26 8.335 6.140 -7.052 453 2HD ARG 26 HD1 ARG 26 7.115 7.411 -7.009 454 HE ARG 26 HE ARG 26 9.644 7.479 -8.368 455 1HH1 ARG 26 HH11 ARG 26 7.115 9.415 -6.941 456 2HH1 ARG 26 HH12 ARG 26 7.476 10.814 -7.896 457 1HH2 ARG 26 HH21 ARG 26 10.121 9.319 -9.623 458 2HH2 ARG 26 HH22 ARG 26 9.182 10.760 -9.418 459 H LEU 27 HN LEU 27 8.458 8.929 -3.295 460 HA LEU 27 HA LEU 27 9.232 11.566 -3.927 461 1HB LEU 27 HB2 LEU 27 6.968 10.302 -2.471 462 2HB LEU 27 HB1 LEU 27 7.237 12.015 -2.211 463 HG LEU 27 HG LEU 27 7.164 11.114 -5.032 464 1HD1 LEU 27 HD11 LEU 27 5.285 9.917 -4.663 465 2HD1 LEU 27 HD12 LEU 27 4.538 11.514 -4.673 466 3HD1 LEU 27 HD13 LEU 27 4.930 10.734 -3.142 467 1HD2 LEU 27 HD21 LEU 27 5.681 13.240 -5.042 468 2HD2 LEU 27 HD22 LEU 27 7.421 13.404 -4.809 469 3HD2 LEU 27 HD23 LEU 27 6.334 13.495 -3.423 470 H VAL 28 HN VAL 28 9.306 9.684 -0.944 471 HA VAL 28 HA VAL 28 9.991 11.799 0.798 472 HB VAL 28 HB VAL 28 10.823 8.919 1.098 473 1HG1 VAL 28 HG11 VAL 28 11.811 10.685 2.613 474 2HG1 VAL 28 HG12 VAL 28 10.980 9.352 3.415 475 3HG1 VAL 28 HG13 VAL 28 10.184 10.916 3.251 476 1HG2 VAL 28 HG21 VAL 28 8.485 9.559 2.610 477 2HG2 VAL 28 HG22 VAL 28 8.699 8.323 1.370 478 3HG2 VAL 28 HG23 VAL 28 8.199 9.952 0.915 479 H GLN 29 HN GLN 29 11.936 9.510 -1.064 480 HA GLN 29 HA GLN 29 14.469 10.185 -0.167 481 1HB GLN 29 HB2 GLN 29 13.505 8.513 -2.086 482 2HB GLN 29 HB1 GLN 29 14.233 9.765 -3.083 483 1HG GLN 29 HG2 GLN 29 16.350 9.263 -2.421 484 2HG GLN 29 HG1 GLN 29 15.837 8.685 -0.836 485 1HE2 GLN 29 HE21 GLN 29 14.098 6.757 -1.301 486 2HE2 GLN 29 HE22 GLN 29 14.789 5.480 -2.237 487 H GLN 30 HN GLN 30 12.309 11.861 -2.328 488 HA GLN 30 HA GLN 30 14.215 13.735 -3.321 489 1HB GLN 30 HB2 GLN 30 12.077 13.206 -4.472 490 2HB GLN 30 HB1 GLN 30 11.204 13.986 -3.161 491 1HG GLN 30 HG2 GLN 30 11.271 15.761 -4.526 492 2HG GLN 30 HG1 GLN 30 12.884 15.969 -3.844 493 1HE2 GLN 30 HE21 GLN 30 12.586 17.133 -6.147 494 2HE2 GLN 30 HE22 GLN 30 13.307 16.246 -7.443 495 H HIS 31 HN HIS 31 12.113 13.563 -0.520 496 HA HIS 31 HA HIS 31 13.418 15.980 0.507 497 1HB HIS 31 HB2 HIS 31 11.351 16.892 1.367 498 2HB HIS 31 HB1 HIS 31 11.189 16.635 -0.366 499 HD1 HIS 31 HD1 HIS 31 10.090 14.050 -0.831 500 HD2 HIS 31 HD2 HIS 31 9.134 16.080 2.661 501 HE1 HIS 31 HE1 HIS 31 7.942 13.032 -0.026 502 HE2 HIS 31 HE2 HIS 31 7.510 14.130 2.197 503 HA PRO 32 HA PRO 32 13.450 12.420 3.522 504 1HB PRO 32 HB2 PRO 32 16.087 12.646 4.147 505 2HB PRO 32 HB1 PRO 32 15.497 11.674 2.795 506 1HG PRO 32 HG2 PRO 32 16.646 14.438 2.780 507 2HG PRO 32 HG1 PRO 32 16.957 13.091 1.669 508 1HD PRO 32 HD2 PRO 32 15.286 15.122 1.047 509 2HD PRO 32 HD1 PRO 32 15.019 13.464 0.474 510 H ARG 33 HN ARG 33 14.656 15.709 3.600 511 HA ARG 33 HA ARG 33 14.890 15.845 6.452 512 1HB ARG 33 HB2 ARG 33 15.037 17.816 4.207 513 2HB ARG 33 HB1 ARG 33 14.852 18.408 5.852 514 1HG ARG 33 HG2 ARG 33 17.194 18.348 5.128 515 2HG ARG 33 HG1 ARG 33 16.893 17.305 6.520 516 1HD ARG 33 HD2 ARG 33 16.721 15.375 4.975 517 2HD ARG 33 HD1 ARG 33 17.154 16.444 3.642 518 HE ARG 33 HE ARG 33 18.918 15.336 5.622 519 1HH1 ARG 33 HH11 ARG 33 18.449 17.938 3.344 520 2HH1 ARG 33 HH12 ARG 33 20.141 18.269 3.183 521 1HH2 ARG 33 HH21 ARG 33 21.143 15.771 5.412 522 2HH2 ARG 33 HH22 ARG 33 21.671 17.040 4.358 Start of MODEL 7 1 H CYS 1 HT1 CYS 1 8.705 25.751 -6.603 2 HA CYS 1 HA CYS 1 6.894 24.183 -5.957 3 1HB CYS 1 HB2 CYS 1 7.315 23.166 -8.426 4 2HB CYS 1 HB1 CYS 1 8.349 22.098 -7.483 5 HG CYS 1 HG CYS 1 5.681 21.400 -7.786 6 H GLY 2 HN GLY 2 8.079 24.718 -4.090 7 1HA GLY 2 HA2 GLY 2 10.161 22.752 -3.440 8 2HA GLY 2 HA1 GLY 2 10.511 24.458 -3.205 9 H GLY 3 HN GLY 3 10.816 23.097 -1.016 10 1HA GLY 3 HA2 GLY 3 10.150 23.463 1.206 11 2HA GLY 3 HA1 GLY 3 8.559 23.934 0.630 12 H ASP 4 HN ASP 4 7.392 22.623 1.993 13 HA ASP 4 HA ASP 4 7.936 19.758 2.001 14 1HB ASP 4 HB2 ASP 4 5.900 21.382 3.529 15 2HB ASP 4 HB1 ASP 4 6.197 19.660 3.743 16 H ASN 5 HN ASN 5 6.602 21.498 -0.219 17 HA ASN 5 HA ASN 5 3.952 20.779 -0.573 18 1HB ASN 5 HB2 ASN 5 5.161 22.395 -2.012 19 2HB ASN 5 HB1 ASN 5 6.057 21.061 -2.733 20 1HD2 ASN 5 HD21 ASN 5 2.639 21.499 -1.897 21 2HD2 ASN 5 HD22 ASN 5 2.033 21.166 -3.479 22 H ILE 6 HN ILE 6 6.852 18.936 -0.940 23 HA ILE 6 HA ILE 6 5.645 16.759 -2.379 24 HB ILE 6 HB ILE 6 8.238 16.715 -0.845 25 1HG1 ILE 6 HG12 ILE 6 7.820 17.529 -3.730 26 2HG1 ILE 6 HG11 ILE 6 8.155 18.648 -2.414 27 1HG2 ILE 6 HG21 ILE 6 8.857 14.961 -2.376 28 2HG2 ILE 6 HG22 ILE 6 7.354 15.169 -3.273 29 3HG2 ILE 6 HG23 ILE 6 7.315 14.561 -1.619 30 1HD1 ILE 6 HD11 ILE 6 10.091 16.484 -2.599 31 2HD1 ILE 6 HD12 ILE 6 10.338 18.225 -2.473 32 3HD1 ILE 6 HD13 ILE 6 10.015 17.492 -4.044 33 H GLU 7 HN GLU 7 6.694 17.398 0.934 34 HA GLU 7 HA GLU 7 6.139 14.931 2.084 35 1HB GLU 7 HB2 GLU 7 7.339 16.726 3.250 36 2HB GLU 7 HB1 GLU 7 5.860 17.675 3.326 37 1HG GLU 7 HG2 GLU 7 4.868 15.716 4.618 38 2HG GLU 7 HG1 GLU 7 6.526 15.137 4.775 39 H GLN 8 HN GLN 8 3.996 17.440 1.031 40 HA GLN 8 HA GLN 8 1.718 16.499 2.512 41 1HB GLN 8 HB2 GLN 8 2.261 18.878 1.442 42 2HB GLN 8 HB1 GLN 8 1.405 18.183 0.072 43 1HG GLN 8 HG2 GLN 8 -0.564 17.856 1.373 44 2HG GLN 8 HG1 GLN 8 0.280 18.289 2.859 45 1HE2 GLN 8 HE21 GLN 8 -2.110 19.461 1.750 46 2HE2 GLN 8 HE22 GLN 8 -1.767 21.133 1.482 47 H LYS 9 HN LYS 9 2.960 16.211 -0.770 48 HA LYS 9 HA LYS 9 0.780 14.852 -1.899 49 1HB LYS 9 HB2 LYS 9 3.609 15.315 -2.600 50 2HB LYS 9 HB1 LYS 9 2.888 13.879 -3.315 51 1HG LYS 9 HG2 LYS 9 1.098 15.250 -4.261 52 2HG LYS 9 HG1 LYS 9 1.831 16.689 -3.551 53 1HD LYS 9 HD2 LYS 9 2.538 16.643 -5.806 54 2HD LYS 9 HD1 LYS 9 3.922 16.105 -4.852 55 1HE LYS 9 HE2 LYS 9 3.885 14.560 -6.571 56 2HE LYS 9 HE1 LYS 9 2.984 13.728 -5.303 57 1HZ LYS 9 HZ1 LYS 9 1.972 13.661 -7.577 58 2HZ LYS 9 HZ2 LYS 9 1.672 15.319 -7.432 59 3HZ LYS 9 HZ3 LYS 9 0.949 14.232 -6.357 60 H ILE 10 HN ILE 10 3.616 13.701 -0.144 61 HA ILE 10 HA ILE 10 3.122 10.940 -0.600 62 HB ILE 10 HB ILE 10 4.598 10.592 1.410 63 1HG1 ILE 10 HG12 ILE 10 5.052 13.570 1.178 64 2HG1 ILE 10 HG11 ILE 10 4.095 12.813 2.448 65 1HG2 ILE 10 HG21 ILE 10 5.754 10.339 -0.541 66 2HG2 ILE 10 HG22 ILE 10 6.608 11.726 0.132 67 3HG2 ILE 10 HG23 ILE 10 5.375 11.967 -1.104 68 1HD1 ILE 10 HD11 ILE 10 6.294 13.295 3.270 69 2HD1 ILE 10 HD12 ILE 10 7.027 12.412 1.931 70 3HD1 ILE 10 HD13 ILE 10 6.086 11.548 3.146 71 H ASP 11 HN ASP 11 2.300 13.153 2.056 72 HA ASP 11 HA ASP 11 1.267 11.382 3.894 73 1HB ASP 11 HB2 ASP 11 1.354 14.080 3.742 74 2HB ASP 11 HB1 ASP 11 -0.360 13.820 3.428 75 H ASP 12 HN ASP 12 -0.112 12.558 0.912 76 HA ASP 12 HA ASP 12 -2.723 11.488 1.273 77 1HB ASP 12 HB2 ASP 12 -1.254 12.855 -0.815 78 2HB ASP 12 HB1 ASP 12 -2.170 11.511 -1.489 79 H ILE 13 HN ILE 13 0.230 10.331 -0.273 80 HA ILE 13 HA ILE 13 -0.763 7.886 -1.234 81 HB ILE 13 HB ILE 13 2.056 8.363 -0.265 82 1HG1 ILE 13 HG12 ILE 13 0.780 9.090 -2.910 83 2HG1 ILE 13 HG11 ILE 13 1.484 10.196 -1.736 84 1HG2 ILE 13 HG21 ILE 13 2.621 6.454 -1.299 85 2HG2 ILE 13 HG22 ILE 13 1.560 6.766 -2.672 86 3HG2 ILE 13 HG23 ILE 13 0.902 6.077 -1.189 87 1HD1 ILE 13 HD11 ILE 13 3.683 9.079 -2.139 88 2HD1 ILE 13 HD12 ILE 13 3.025 9.959 -3.519 89 3HD1 ILE 13 HD13 ILE 13 2.918 8.200 -3.462 90 H ASP 14 HN ASP 14 0.852 8.725 1.823 91 HA ASP 14 HA ASP 14 1.040 6.259 3.008 92 1HB ASP 14 HB2 ASP 14 1.628 8.686 3.866 93 2HB ASP 14 HB1 ASP 14 0.071 8.543 4.674 94 H HIS 15 HN HIS 15 -1.817 8.229 2.548 95 HA HIS 15 HA HIS 15 -3.490 6.667 4.274 96 1HB HIS 15 HB2 HIS 15 -3.850 9.104 3.563 97 2HB HIS 15 HB1 HIS 15 -4.438 8.451 2.037 98 HD1 HIS 15 HD1 HIS 15 -5.533 6.100 4.421 99 HD2 HIS 15 HD2 HIS 15 -6.766 9.930 3.383 100 HE1 HIS 15 HE1 HIS 15 -7.892 6.298 5.266 101 HE2 HIS 15 HE2 HIS 15 -8.647 8.593 4.551 102 H GLU 16 HN GLU 16 -2.517 6.571 0.943 103 HA GLU 16 HA GLU 16 -4.576 4.685 0.195 104 1HB GLU 16 HB2 GLU 16 -2.152 5.400 -1.440 105 2HB GLU 16 HB1 GLU 16 -3.715 4.825 -2.005 106 1HG GLU 16 HG2 GLU 16 -4.740 6.890 -1.627 107 2HG GLU 16 HG1 GLU 16 -3.428 7.449 -0.590 108 H ILE 17 HN ILE 17 -1.173 4.664 1.018 109 HA ILE 17 HA ILE 17 -0.548 2.044 0.217 110 HB ILE 17 HB ILE 17 0.683 3.517 2.547 111 1HG1 ILE 17 HG12 ILE 17 1.825 3.615 -0.212 112 2HG1 ILE 17 HG11 ILE 17 0.501 4.701 0.189 113 1HG2 ILE 17 HG21 ILE 17 1.307 1.069 1.064 114 2HG2 ILE 17 HG22 ILE 17 1.790 1.573 2.684 115 3HG2 ILE 17 HG23 ILE 17 2.674 2.163 1.276 116 1HD1 ILE 17 HD11 ILE 17 2.316 4.917 2.299 117 2HD1 ILE 17 HD12 ILE 17 2.000 6.093 1.023 118 3HD1 ILE 17 HD13 ILE 17 3.285 4.902 0.827 119 H ALA 18 HN ALA 18 -2.031 3.367 3.095 120 HA ALA 18 HA ALA 18 -1.908 0.899 4.579 121 1HB ALA 18 HB1 ALA 18 -1.956 2.539 6.124 122 2HB ALA 18 HB2 ALA 18 -3.704 2.385 5.940 123 3HB ALA 18 HB3 ALA 18 -2.833 3.651 5.071 124 H ASP 19 HN ASP 19 -4.290 2.642 2.657 125 HA ASP 19 HA ASP 19 -6.594 1.255 3.327 126 1HB ASP 19 HB2 ASP 19 -5.667 2.750 0.931 127 2HB ASP 19 HB1 ASP 19 -7.072 1.707 0.728 128 H LEU 20 HN LEU 20 -4.120 0.439 0.924 129 HA LEU 20 HA LEU 20 -5.422 -1.903 -0.015 130 1HB LEU 20 HB2 LEU 20 -2.458 -1.438 -0.116 131 2HB LEU 20 HB1 LEU 20 -3.454 -2.348 -1.235 132 HG LEU 20 HG LEU 20 -3.259 0.641 -0.950 133 1HD1 LEU 20 HD11 LEU 20 -2.807 0.383 -3.433 134 2HD1 LEU 20 HD12 LEU 20 -2.633 -1.343 -3.115 135 3HD1 LEU 20 HD13 LEU 20 -1.552 -0.189 -2.334 136 1HD2 LEU 20 HD21 LEU 20 -5.635 -0.092 -1.187 137 2HD2 LEU 20 HD22 LEU 20 -5.191 -0.859 -2.711 138 3HD2 LEU 20 HD23 LEU 20 -5.040 0.889 -2.526 139 H GLN 21 HN GLN 21 -2.690 -1.415 2.217 140 HA GLN 21 HA GLN 21 -2.128 -4.032 2.848 141 1HB GLN 21 HB2 GLN 21 -1.230 -1.635 3.729 142 2HB GLN 21 HB1 GLN 21 -2.131 -2.167 5.143 143 1HG GLN 21 HG2 GLN 21 -0.344 -4.174 3.951 144 2HG GLN 21 HG1 GLN 21 0.448 -2.773 4.671 145 1HE2 GLN 21 HE21 GLN 21 -0.965 -2.174 6.817 146 2HE2 GLN 21 HE22 GLN 21 -1.028 -3.492 7.933 147 H ALA 22 HN ALA 22 -4.759 -2.026 4.016 148 HA ALA 22 HA ALA 22 -5.609 -3.816 6.067 149 1HB ALA 22 HB1 ALA 22 -7.186 -2.265 6.548 150 2HB ALA 22 HB2 ALA 22 -7.594 -1.995 4.854 151 3HB ALA 22 HB3 ALA 22 -6.157 -1.244 5.546 152 H LYS 23 HN LYS 23 -6.343 -3.417 2.665 153 HA LYS 23 HA LYS 23 -8.625 -5.102 2.603 154 1HB LYS 23 HB2 LYS 23 -6.940 -3.694 0.678 155 2HB LYS 23 HB1 LYS 23 -7.519 -5.238 0.069 156 1HG LYS 23 HG2 LYS 23 -9.063 -3.547 -0.588 157 2HG LYS 23 HG1 LYS 23 -9.829 -4.536 0.656 158 1HD LYS 23 HD2 LYS 23 -10.072 -2.783 2.015 159 2HD LYS 23 HD1 LYS 23 -8.385 -2.305 1.809 160 1HE LYS 23 HE2 LYS 23 -9.975 -0.564 1.074 161 2HE LYS 23 HE1 LYS 23 -8.921 -1.126 -0.225 162 1HZ LYS 23 HZ1 LYS 23 -11.724 -2.007 0.222 163 2HZ LYS 23 HZ2 LYS 23 -10.715 -2.520 -1.035 164 3HZ LYS 23 HZ3 LYS 23 -11.216 -0.906 -0.958 165 H ARG 24 HN ARG 24 -5.176 -5.661 2.263 166 HA ARG 24 HA ARG 24 -5.384 -8.344 1.342 167 1HB ARG 24 HB2 ARG 24 -3.364 -7.032 0.976 168 2HB ARG 24 HB1 ARG 24 -3.106 -6.902 2.710 169 1HG ARG 24 HG2 ARG 24 -2.158 -8.921 2.843 170 2HG ARG 24 HG1 ARG 24 -3.335 -9.653 1.750 171 1HD ARG 24 HD2 ARG 24 -1.983 -8.129 0.003 172 2HD ARG 24 HD1 ARG 24 -0.703 -8.434 1.176 173 HE ARG 24 HE ARG 24 -1.784 -10.289 -0.693 174 1HH1 ARG 24 HH11 ARG 24 -0.410 -10.038 2.506 175 2HH1 ARG 24 HH12 ARG 24 0.174 -11.668 2.518 176 1HH2 ARG 24 HH21 ARG 24 -1.017 -12.433 -0.677 177 2HH2 ARG 24 HH22 ARG 24 -0.169 -13.027 0.711 178 H THR 25 HN THR 25 -4.975 -6.881 4.539 179 HA THR 25 HA THR 25 -4.594 -9.281 5.967 180 HB THR 25 HB THR 25 -5.987 -7.067 7.341 181 HG1 THR 25 HG1 THR 25 -4.692 -5.566 6.703 182 1HG2 THR 25 HG21 THR 25 -5.034 -8.710 8.739 183 2HG2 THR 25 HG22 THR 25 -4.002 -7.284 8.857 184 3HG2 THR 25 HG23 THR 25 -3.499 -8.658 7.871 185 H ARG 26 HN ARG 26 -7.536 -7.281 5.611 186 HA ARG 26 HA ARG 26 -9.304 -8.844 7.020 187 1HB ARG 26 HB2 ARG 26 -11.082 -7.882 5.642 188 2HB ARG 26 HB1 ARG 26 -9.898 -6.660 6.085 189 1HG ARG 26 HG2 ARG 26 -8.885 -6.829 3.874 190 2HG ARG 26 HG1 ARG 26 -10.059 -8.066 3.428 191 1HD ARG 26 HD2 ARG 26 -11.675 -6.059 4.321 192 2HD ARG 26 HD1 ARG 26 -10.351 -5.154 3.590 193 HE ARG 26 HE ARG 26 -11.044 -5.865 1.523 194 1HH1 ARG 26 HH11 ARG 26 -12.629 -7.775 3.977 195 2HH1 ARG 26 HH12 ARG 26 -13.710 -8.540 2.860 196 1HH2 ARG 26 HH21 ARG 26 -12.465 -6.869 0.054 197 2HH2 ARG 26 HH22 ARG 26 -13.616 -8.025 0.633 198 H LEU 27 HN LEU 27 -8.309 -9.184 3.643 199 HA LEU 27 HA LEU 27 -9.995 -11.339 2.993 200 1HB LEU 27 HB2 LEU 27 -7.571 -10.103 1.855 201 2HB LEU 27 HB1 LEU 27 -7.806 -11.791 1.442 202 HG LEU 27 HG LEU 27 -10.262 -10.893 0.876 203 1HD1 LEU 27 HD11 LEU 27 -9.593 -8.577 1.564 204 2HD1 LEU 27 HD12 LEU 27 -10.249 -8.713 -0.066 205 3HD1 LEU 27 HD13 LEU 27 -8.509 -8.550 0.173 206 1HD2 LEU 27 HD21 LEU 27 -7.781 -10.889 -0.815 207 2HD2 LEU 27 HD22 LEU 27 -9.375 -10.550 -1.488 208 3HD2 LEU 27 HD23 LEU 27 -9.052 -12.107 -0.726 209 H VAL 28 HN VAL 28 -6.814 -11.171 4.499 210 HA VAL 28 HA VAL 28 -6.261 -13.946 4.469 211 HB VAL 28 HB VAL 28 -5.319 -11.947 6.522 212 1HG1 VAL 28 HG11 VAL 28 -3.310 -13.494 6.528 213 2HG1 VAL 28 HG12 VAL 28 -4.314 -14.637 5.635 214 3HG1 VAL 28 HG13 VAL 28 -4.789 -14.124 7.255 215 1HG2 VAL 28 HG21 VAL 28 -3.373 -12.474 4.497 216 2HG2 VAL 28 HG22 VAL 28 -4.090 -10.934 4.973 217 3HG2 VAL 28 HG23 VAL 28 -4.866 -11.923 3.737 218 H GLN 29 HN GLN 29 -7.871 -11.816 6.777 219 HA GLN 29 HA GLN 29 -8.217 -13.559 8.904 220 1HB GLN 29 HB2 GLN 29 -9.150 -11.018 8.197 221 2HB GLN 29 HB1 GLN 29 -10.606 -11.974 8.441 222 1HG GLN 29 HG2 GLN 29 -10.394 -11.778 10.628 223 2HG GLN 29 HG1 GLN 29 -8.805 -12.539 10.563 224 1HE2 GLN 29 HE21 GLN 29 -7.079 -11.352 11.037 225 2HE2 GLN 29 HE22 GLN 29 -7.069 -9.637 11.247 226 H GLN 30 HN GLN 30 -9.801 -13.420 5.813 227 HA GLN 30 HA GLN 30 -11.945 -15.195 6.512 228 1HB GLN 30 HB2 GLN 30 -10.899 -14.137 3.891 229 2HB GLN 30 HB1 GLN 30 -12.206 -15.310 3.970 230 1HG GLN 30 HG2 GLN 30 -13.152 -13.475 5.677 231 2HG GLN 30 HG1 GLN 30 -12.189 -12.437 4.626 232 1HE2 GLN 30 HE21 GLN 30 -13.510 -11.475 3.261 233 2HE2 GLN 30 HE22 GLN 30 -14.770 -12.238 2.356 234 H HIS 31 HN HIS 31 -8.704 -15.500 5.216 235 HA HIS 31 HA HIS 31 -8.977 -18.412 5.434 236 1HB HIS 31 HB2 HIS 31 -7.839 -18.821 3.351 237 2HB HIS 31 HB1 HIS 31 -9.222 -17.781 3.037 238 HD1 HIS 31 HD1 HIS 31 -8.354 -15.052 3.255 239 HD2 HIS 31 HD2 HIS 31 -5.715 -17.967 1.929 240 HE1 HIS 31 HE1 HIS 31 -6.589 -13.825 1.963 241 HE2 HIS 31 HE2 HIS 31 -4.887 -15.585 1.383 242 HA PRO 32 HA PRO 32 -5.052 -16.707 7.328 243 1HB PRO 32 HB2 PRO 32 -5.593 -17.123 9.922 244 2HB PRO 32 HB1 PRO 32 -6.160 -15.677 9.077 245 1HG PRO 32 HG2 PRO 32 -7.653 -18.174 9.771 246 2HG PRO 32 HG1 PRO 32 -8.186 -16.486 9.870 247 1HD PRO 32 HD2 PRO 32 -8.830 -18.188 7.810 248 2HD PRO 32 HD1 PRO 32 -8.780 -16.422 7.662 249 H ARG 33 HN ARG 33 -6.977 -19.571 8.014 250 HA ARG 33 HA ARG 33 -4.487 -21.097 8.413 251 1HB ARG 33 HB2 ARG 33 -7.236 -21.860 9.404 252 2HB ARG 33 HB1 ARG 33 -5.712 -22.646 9.790 253 1HG ARG 33 HG2 ARG 33 -5.415 -21.304 11.523 254 2HG ARG 33 HG1 ARG 33 -5.543 -19.882 10.489 255 1HD ARG 33 HD2 ARG 33 -7.203 -19.859 12.297 256 2HD ARG 33 HD1 ARG 33 -7.959 -19.909 10.705 257 HE ARG 33 HE ARG 33 -8.823 -21.971 11.210 258 1HH1 ARG 33 HH11 ARG 33 -6.352 -21.169 13.542 259 2HH1 ARG 33 HH12 ARG 33 -6.716 -22.510 14.575 260 1HH2 ARG 33 HH21 ARG 33 -9.303 -23.734 12.570 261 2HH2 ARG 33 HH22 ARG 33 -8.392 -23.966 14.025 262 H CYS 1 HN CYS 1 -14.469 -25.280 -1.480 263 HA CYS 1 HA CYS 1 -16.182 -24.654 -3.046 264 1HB CYS 1 HB2 CYS 1 -17.283 -23.479 -0.545 265 2HB CYS 1 HB1 CYS 1 -17.664 -22.657 -2.054 266 HG CYS 1 HG CYS 1 -18.546 -25.195 -2.772 267 H GLY 2 HN GLY 2 -13.502 -23.759 -2.344 268 1HA GLY 2 HA2 GLY 2 -13.599 -21.188 -3.725 269 2HA GLY 2 HA1 GLY 2 -12.833 -21.206 -2.144 270 H GLY 3 HN GLY 3 -11.023 -22.765 -1.860 271 1HA GLY 3 HA2 GLY 3 -9.196 -23.985 -2.683 272 2HA GLY 3 HA1 GLY 3 -9.700 -23.596 -4.320 273 H ASP 4 HN ASP 4 -8.741 -21.735 -1.430 274 HA ASP 4 HA ASP 4 -7.226 -20.061 -1.137 275 1HB ASP 4 HB2 ASP 4 -5.969 -21.219 -3.622 276 2HB ASP 4 HB1 ASP 4 -5.202 -20.074 -2.526 277 H ASN 5 HN ASN 5 -9.558 -19.869 -3.133 278 HA ASN 5 HA ASN 5 -8.963 -18.121 -5.205 279 1HB ASN 5 HB2 ASN 5 -11.384 -18.837 -3.671 280 2HB ASN 5 HB1 ASN 5 -11.438 -17.264 -4.461 281 1HD2 ASN 5 HD21 ASN 5 -10.214 -17.565 -6.771 282 2HD2 ASN 5 HD22 ASN 5 -10.964 -18.779 -7.744 283 H ILE 6 HN ILE 6 -9.210 -17.598 -1.797 284 HA ILE 6 HA ILE 6 -9.329 -14.727 -1.954 285 HB ILE 6 HB ILE 6 -8.579 -16.384 0.447 286 1HG1 ILE 6 HG12 ILE 6 -11.360 -15.558 -0.420 287 2HG1 ILE 6 HG11 ILE 6 -10.711 -17.189 -0.556 288 1HG2 ILE 6 HG21 ILE 6 -9.928 -13.699 0.258 289 2HG2 ILE 6 HG22 ILE 6 -8.203 -13.938 0.532 290 3HG2 ILE 6 HG23 ILE 6 -9.373 -14.512 1.721 291 1HD1 ILE 6 HD11 ILE 6 -10.337 -16.400 2.114 292 2HD1 ILE 6 HD12 ILE 6 -11.456 -17.607 1.479 293 3HD1 ILE 6 HD13 ILE 6 -11.977 -15.933 1.665 294 H GLU 7 HN GLU 7 -6.905 -17.171 -1.140 295 HA GLU 7 HA GLU 7 -4.775 -15.508 -0.497 296 1HB GLU 7 HB2 GLU 7 -5.103 -18.181 -0.593 297 2HB GLU 7 HB1 GLU 7 -4.139 -17.953 -2.046 298 1HG GLU 7 HG2 GLU 7 -2.301 -17.214 -0.873 299 2HG GLU 7 HG1 GLU 7 -3.260 -16.706 0.515 300 H GLN 8 HN GLN 8 -6.106 -16.367 -3.596 301 HA GLN 8 HA GLN 8 -3.882 -15.367 -5.118 302 1HB GLN 8 HB2 GLN 8 -5.706 -17.127 -5.787 303 2HB GLN 8 HB1 GLN 8 -6.642 -15.708 -6.240 304 1HG GLN 8 HG2 GLN 8 -5.524 -16.548 -8.177 305 2HG GLN 8 HG1 GLN 8 -4.790 -15.010 -7.722 306 1HE2 GLN 8 HE21 GLN 8 -3.135 -16.028 -9.208 307 2HE2 GLN 8 HE22 GLN 8 -1.902 -16.976 -8.455 308 H LYS 9 HN LYS 9 -7.085 -14.224 -4.191 309 HA LYS 9 HA LYS 9 -7.080 -11.822 -5.633 310 1HB LYS 9 HB2 LYS 9 -8.562 -12.878 -3.277 311 2HB LYS 9 HB1 LYS 9 -8.626 -11.144 -3.566 312 1HG LYS 9 HG2 LYS 9 -9.906 -11.359 -5.412 313 2HG LYS 9 HG1 LYS 9 -9.140 -12.872 -5.902 314 1HD LYS 9 HD2 LYS 9 -10.847 -14.017 -5.058 315 2HD LYS 9 HD1 LYS 9 -10.530 -13.333 -3.463 316 1HE LYS 9 HE2 LYS 9 -11.797 -11.258 -4.447 317 2HE LYS 9 HE1 LYS 9 -12.459 -12.453 -5.561 318 1HZ LYS 9 HZ1 LYS 9 -13.972 -12.684 -3.931 319 2HZ LYS 9 HZ2 LYS 9 -12.946 -12.101 -2.720 320 3HZ LYS 9 HZ3 LYS 9 -12.808 -13.703 -3.244 321 H ILE 10 HN ILE 10 -5.777 -12.656 -2.467 322 HA ILE 10 HA ILE 10 -5.167 -9.973 -1.729 323 HB ILE 10 HB ILE 10 -3.611 -11.028 -0.064 324 1HG1 ILE 10 HG12 ILE 10 -4.875 -13.611 -0.998 325 2HG1 ILE 10 HG11 ILE 10 -3.226 -13.122 -1.375 326 1HG2 ILE 10 HG21 ILE 10 -6.359 -12.199 0.139 327 2HG2 ILE 10 HG22 ILE 10 -6.094 -10.458 0.225 328 3HG2 ILE 10 HG23 ILE 10 -5.344 -11.523 1.412 329 1HD1 ILE 10 HD11 ILE 10 -2.714 -13.083 1.025 330 2HD1 ILE 10 HD12 ILE 10 -3.234 -14.673 0.462 331 3HD1 ILE 10 HD13 ILE 10 -4.351 -13.647 1.362 332 H ASP 11 HN ASP 11 -3.277 -12.606 -3.183 333 HA ASP 11 HA ASP 11 -0.761 -11.496 -3.174 334 1HB ASP 11 HB2 ASP 11 -1.626 -13.752 -4.171 335 2HB ASP 11 HB1 ASP 11 -1.784 -12.832 -5.663 336 H ASP 12 HN ASP 12 -3.516 -10.729 -5.170 337 HA ASP 12 HA ASP 12 -2.166 -9.035 -7.014 338 1HB ASP 12 HB2 ASP 12 -5.041 -9.406 -6.213 339 2HB ASP 12 HB1 ASP 12 -4.579 -8.074 -7.270 340 H ILE 13 HN ILE 13 -4.013 -8.454 -4.049 341 HA ILE 13 HA ILE 13 -3.758 -5.659 -3.998 342 HB ILE 13 HB ILE 13 -3.915 -7.483 -1.593 343 1HG1 ILE 13 HG12 ILE 13 -6.138 -6.316 -3.286 344 2HG1 ILE 13 HG11 ILE 13 -5.704 -8.018 -3.178 345 1HG2 ILE 13 HG21 ILE 13 -5.300 -4.918 -1.514 346 2HG2 ILE 13 HG22 ILE 13 -3.553 -4.764 -1.696 347 3HG2 ILE 13 HG23 ILE 13 -4.221 -5.662 -0.334 348 1HD1 ILE 13 HD11 ILE 13 -6.170 -7.132 -0.550 349 2HD1 ILE 13 HD12 ILE 13 -7.140 -8.242 -1.519 350 3HD1 ILE 13 HD13 ILE 13 -7.485 -6.513 -1.549 351 H ASP 14 HN ASP 14 -1.774 -8.204 -2.498 352 HA ASP 14 HA ASP 14 0.053 -6.697 -1.117 353 1HB ASP 14 HB2 ASP 14 -0.181 -9.323 -1.604 354 2HB ASP 14 HB1 ASP 14 1.157 -8.962 -2.691 355 H HIS 15 HN HIS 15 -0.168 -7.202 -4.574 356 HA HIS 15 HA HIS 15 2.395 -6.064 -5.169 357 1HB HIS 15 HB2 HIS 15 0.959 -7.686 -6.604 358 2HB HIS 15 HB1 HIS 15 0.118 -6.230 -7.122 359 HD1 HIS 15 HD1 HIS 15 3.256 -4.887 -6.808 360 HD2 HIS 15 HD2 HIS 15 1.706 -7.698 -9.447 361 HE1 HIS 15 HE1 HIS 15 4.783 -4.847 -8.806 362 HE2 HIS 15 HE2 HIS 15 3.875 -6.619 -10.351 363 H GLU 16 HN GLU 16 -0.841 -4.892 -4.712 364 HA GLU 16 HA GLU 16 -0.277 -2.302 -5.863 365 1HB GLU 16 HB2 GLU 16 -2.688 -3.020 -4.208 366 2HB GLU 16 HB1 GLU 16 -2.547 -1.774 -5.440 367 1HG GLU 16 HG2 GLU 16 -2.179 -4.642 -6.177 368 2HG GLU 16 HG1 GLU 16 -3.801 -3.986 -5.957 369 H ILE 17 HN ILE 17 -0.516 -3.772 -2.696 370 HA ILE 17 HA ILE 17 -0.544 -1.437 -1.132 371 HB ILE 17 HB ILE 17 0.705 -4.077 -0.359 372 1HG1 ILE 17 HG12 ILE 17 -2.124 -3.360 0.285 373 2HG1 ILE 17 HG11 ILE 17 -1.760 -4.007 -1.308 374 1HG2 ILE 17 HG21 ILE 17 0.031 -1.599 1.057 375 2HG2 ILE 17 HG22 ILE 17 1.189 -2.865 1.466 376 3HG2 ILE 17 HG23 ILE 17 -0.519 -3.075 1.852 377 1HD1 ILE 17 HD11 ILE 17 -1.812 -6.050 -0.474 378 2HD1 ILE 17 HD12 ILE 17 -2.146 -5.394 1.129 379 3HD1 ILE 17 HD13 ILE 17 -0.479 -5.649 0.609 380 H ALA 18 HN ALA 18 2.038 -3.282 -2.614 381 HA ALA 18 HA ALA 18 4.152 -1.857 -1.283 382 1HB ALA 18 HB1 ALA 18 5.038 -3.851 -1.823 383 2HB ALA 18 HB2 ALA 18 5.369 -3.085 -3.377 384 3HB ALA 18 HB3 ALA 18 3.933 -4.089 -3.177 385 H ASP 19 HN ASP 19 2.538 -1.723 -4.411 386 HA ASP 19 HA ASP 19 4.262 -0.057 -5.800 387 1HB ASP 19 HB2 ASP 19 1.347 -0.626 -5.919 388 2HB ASP 19 HB1 ASP 19 1.919 0.806 -6.769 389 H LEU 20 HN LEU 20 1.713 0.793 -3.497 390 HA LEU 20 HA LEU 20 1.985 3.604 -3.835 391 1HB LEU 20 HB2 LEU 20 0.919 2.256 -1.373 392 2HB LEU 20 HB1 LEU 20 0.498 3.832 -2.015 393 HG LEU 20 HG LEU 20 -0.311 1.133 -3.071 394 1HD1 LEU 20 HD11 LEU 20 -1.755 3.501 -1.922 395 2HD1 LEU 20 HD12 LEU 20 -1.757 1.829 -1.360 396 3HD1 LEU 20 HD13 LEU 20 -2.581 2.256 -2.859 397 1HD2 LEU 20 HD21 LEU 20 -1.313 2.196 -4.965 398 2HD2 LEU 20 HD22 LEU 20 0.390 2.652 -4.924 399 3HD2 LEU 20 HD23 LEU 20 -0.842 3.793 -4.384 400 H GLN 21 HN GLN 21 2.979 1.439 -1.177 401 HA GLN 21 HA GLN 21 4.318 3.254 0.393 402 1HB GLN 21 HB2 GLN 21 3.950 0.574 0.492 403 2HB GLN 21 HB1 GLN 21 5.662 0.636 0.095 404 1HG GLN 21 HG2 GLN 21 5.395 2.494 2.119 405 2HG GLN 21 HG1 GLN 21 4.309 1.191 2.596 406 1HE2 GLN 21 HE21 GLN 21 6.998 2.179 3.559 407 2HE2 GLN 21 HE22 GLN 21 7.968 0.751 3.640 408 H ALA 22 HN ALA 22 5.493 1.587 -2.480 409 HA ALA 22 HA ALA 22 8.178 2.489 -2.286 410 1HB ALA 22 HB1 ALA 22 6.839 1.774 -4.873 411 2HB ALA 22 HB2 ALA 22 7.236 0.544 -3.674 412 3HB ALA 22 HB3 ALA 22 8.515 1.527 -4.385 413 H LYS 23 HN LYS 23 5.245 3.852 -3.583 414 HA LYS 23 HA LYS 23 6.517 5.891 -5.132 415 1HB LYS 23 HB2 LYS 23 3.716 5.304 -4.268 416 2HB LYS 23 HB1 LYS 23 4.097 6.904 -4.891 417 1HG LYS 23 HG2 LYS 23 4.377 6.166 -7.008 418 2HG LYS 23 HG1 LYS 23 5.031 4.609 -6.496 419 1HD LYS 23 HD2 LYS 23 2.989 3.976 -7.350 420 2HD LYS 23 HD1 LYS 23 2.589 4.202 -5.645 421 1HE LYS 23 HE2 LYS 23 0.875 5.287 -6.829 422 2HE LYS 23 HE1 LYS 23 1.939 6.577 -6.271 423 1HZ LYS 23 HZ1 LYS 23 2.986 6.561 -8.482 424 2HZ LYS 23 HZ2 LYS 23 1.343 6.958 -8.547 425 3HZ LYS 23 HZ3 LYS 23 1.857 5.411 -9.001 426 H ARG 24 HN ARG 24 5.342 5.612 -1.841 427 HA ARG 24 HA ARG 24 5.479 8.402 -1.244 428 1HB ARG 24 HB2 ARG 24 4.255 6.397 -0.015 429 2HB ARG 24 HB1 ARG 24 5.754 6.355 0.906 430 1HG ARG 24 HG2 ARG 24 5.400 8.865 1.234 431 2HG ARG 24 HG1 ARG 24 3.749 8.568 0.691 432 1HD ARG 24 HD2 ARG 24 3.387 7.017 2.498 433 2HD ARG 24 HD1 ARG 24 5.077 7.141 2.989 434 HE ARG 24 HE ARG 24 3.612 9.633 2.976 435 1HH1 ARG 24 HH11 ARG 24 4.610 6.871 4.863 436 2HH1 ARG 24 HH12 ARG 24 4.447 7.694 6.378 437 1HH2 ARG 24 HH21 ARG 24 3.404 10.713 4.954 438 2HH2 ARG 24 HH22 ARG 24 3.760 9.878 6.430 439 H THR 25 HN THR 25 7.656 5.652 -0.694 440 HA THR 25 HA THR 25 9.614 7.020 0.774 441 HB THR 25 HB THR 25 10.532 4.915 -1.088 442 HG1 THR 25 HG1 THR 25 9.428 3.312 0.137 443 1HG2 THR 25 HG21 THR 25 11.337 3.910 1.061 444 2HG2 THR 25 HG22 THR 25 10.764 5.370 1.868 445 3HG2 THR 25 HG23 THR 25 12.030 5.477 0.644 446 H ARG 26 HN ARG 26 9.535 6.254 -2.707 447 HA ARG 26 HA ARG 26 11.855 7.506 -3.498 448 1HB ARG 26 HB2 ARG 26 10.793 7.769 -5.714 449 2HB ARG 26 HB1 ARG 26 10.526 6.171 -5.029 450 1HG ARG 26 HG2 ARG 26 8.277 6.810 -4.365 451 2HG ARG 26 HG1 ARG 26 8.539 8.434 -5.004 452 1HD ARG 26 HD2 ARG 26 7.304 7.189 -6.628 453 2HD ARG 26 HD1 ARG 26 8.940 7.412 -7.242 454 HE ARG 26 HE ARG 26 7.698 4.920 -6.426 455 1HH1 ARG 26 HH11 ARG 26 10.648 6.575 -7.303 456 2HH1 ARG 26 HH12 ARG 26 11.491 5.117 -7.702 457 1HH2 ARG 26 HH21 ARG 26 8.809 3.007 -6.951 458 2HH2 ARG 26 HH22 ARG 26 10.449 3.093 -7.502 459 H LEU 27 HN LEU 27 8.656 8.919 -3.003 460 HA LEU 27 HA LEU 27 9.297 11.529 -3.863 461 1HB LEU 27 HB2 LEU 27 7.117 10.236 -2.358 462 2HB LEU 27 HB1 LEU 27 7.358 11.934 -1.987 463 HG LEU 27 HG LEU 27 5.650 11.516 -3.746 464 1HD1 LEU 27 HD11 LEU 27 7.037 13.044 -5.483 465 2HD1 LEU 27 HD12 LEU 27 8.006 13.255 -4.025 466 3HD1 LEU 27 HD13 LEU 27 6.289 13.656 -4.008 467 1HD2 LEU 27 HD21 LEU 27 8.030 10.354 -5.151 468 2HD2 LEU 27 HD22 LEU 27 6.675 11.032 -6.054 469 3HD2 LEU 27 HD23 LEU 27 6.413 9.677 -4.957 470 H VAL 28 HN VAL 28 9.564 9.880 -0.759 471 HA VAL 28 HA VAL 28 10.238 12.141 0.794 472 HB VAL 28 HB VAL 28 11.171 9.317 1.267 473 1HG1 VAL 28 HG11 VAL 28 10.920 10.129 3.689 474 2HG1 VAL 28 HG12 VAL 28 10.906 11.751 2.996 475 3HG1 VAL 28 HG13 VAL 28 12.306 10.703 2.762 476 1HG2 VAL 28 HG21 VAL 28 8.514 10.256 1.117 477 2HG2 VAL 28 HG22 VAL 28 8.875 10.007 2.825 478 3HG2 VAL 28 HG23 VAL 28 9.080 8.683 1.678 479 H GLN 29 HN GLN 29 12.181 9.796 -0.998 480 HA GLN 29 HA GLN 29 14.723 10.594 -0.237 481 1HB GLN 29 HB2 GLN 29 13.552 9.057 -2.388 482 2HB GLN 29 HB1 GLN 29 14.890 10.027 -2.989 483 1HG GLN 29 HG2 GLN 29 15.672 7.847 -2.330 484 2HG GLN 29 HG1 GLN 29 16.342 9.077 -1.260 485 1HE2 GLN 29 HE21 GLN 29 16.643 7.981 0.577 486 2HE2 GLN 29 HE22 GLN 29 15.405 7.148 1.448 487 H GLN 30 HN GLN 30 12.455 12.059 -2.451 488 HA GLN 30 HA GLN 30 14.283 13.916 -3.604 489 1HB GLN 30 HB2 GLN 30 11.280 13.747 -3.491 490 2HB GLN 30 HB1 GLN 30 12.093 15.133 -4.205 491 1HG GLN 30 HG2 GLN 30 13.312 12.915 -5.360 492 2HG GLN 30 HG1 GLN 30 11.596 12.519 -5.307 493 1HE2 GLN 30 HE21 GLN 30 13.166 12.991 -7.639 494 2HE2 GLN 30 HE22 GLN 30 12.497 14.368 -8.441 495 H HIS 31 HN HIS 31 12.244 13.876 -0.750 496 HA HIS 31 HA HIS 31 13.468 16.429 0.042 497 1HB HIS 31 HB2 HIS 31 11.391 17.251 0.978 498 2HB HIS 31 HB1 HIS 31 11.162 16.883 -0.728 499 HD1 HIS 31 HD1 HIS 31 10.083 14.358 -1.105 500 HD2 HIS 31 HD2 HIS 31 9.449 16.218 2.550 501 HE1 HIS 31 HE1 HIS 31 8.083 13.218 -0.108 502 HE2 HIS 31 HE2 HIS 31 7.878 14.202 2.201 503 HA PRO 32 HA PRO 32 13.942 13.125 3.294 504 1HB PRO 32 HB2 PRO 32 16.579 13.602 3.749 505 2HB PRO 32 HB1 PRO 32 16.002 12.490 2.502 506 1HG PRO 32 HG2 PRO 32 16.917 15.328 2.233 507 2HG PRO 32 HG1 PRO 32 17.281 13.933 1.202 508 1HD PRO 32 HD2 PRO 32 15.417 15.774 0.538 509 2HD PRO 32 HD1 PRO 32 15.260 14.062 0.096 510 H ARG 33 HN ARG 33 14.814 16.503 3.065 511 HA ARG 33 HA ARG 33 15.448 17.032 5.733 512 1HB ARG 33 HB2 ARG 33 14.020 18.891 3.827 513 2HB ARG 33 HB1 ARG 33 14.964 19.353 5.236 514 1HG ARG 33 HG2 ARG 33 16.010 18.064 2.725 515 2HG ARG 33 HG1 ARG 33 16.228 19.743 3.220 516 1HD ARG 33 HD2 ARG 33 17.106 18.185 5.381 517 2HD ARG 33 HD1 ARG 33 17.754 17.410 3.936 518 HE ARG 33 HE ARG 33 18.280 20.081 3.613 519 1HH1 ARG 33 HH11 ARG 33 19.045 17.662 6.009 520 2HH1 ARG 33 HH12 ARG 33 20.543 18.404 6.461 521 1HH2 ARG 33 HH21 ARG 33 20.251 21.058 4.206 522 2HH2 ARG 33 HH22 ARG 33 21.228 20.330 5.436 Start of MODEL 8 1 H CYS 1 HT1 CYS 1 11.912 22.514 -1.746 2 HA CYS 1 HA CYS 1 11.412 24.432 -2.923 3 1HB CYS 1 HB2 CYS 1 11.050 22.466 -5.105 4 2HB CYS 1 HB1 CYS 1 9.938 23.830 -5.120 5 HG CYS 1 HG CYS 1 11.796 25.377 -5.711 6 H GLY 2 HN GLY 2 9.960 24.912 -1.361 7 1HA GLY 2 HA2 GLY 2 7.612 25.405 -1.033 8 2HA GLY 2 HA1 GLY 2 7.240 23.830 -1.716 9 H GLY 3 HN GLY 3 9.881 24.012 0.494 10 1HA GLY 3 HA2 GLY 3 10.184 23.115 2.584 11 2HA GLY 3 HA1 GLY 3 8.598 23.775 2.952 12 H ASP 4 HN ASP 4 6.768 22.453 2.791 13 HA ASP 4 HA ASP 4 7.380 19.572 2.696 14 1HB ASP 4 HB2 ASP 4 5.194 21.029 4.182 15 2HB ASP 4 HB1 ASP 4 5.397 19.280 4.145 16 H ASN 5 HN ASN 5 6.429 21.620 0.583 17 HA ASN 5 HA ASN 5 3.835 21.125 -0.229 18 1HB ASN 5 HB2 ASN 5 5.380 22.794 -1.266 19 2HB ASN 5 HB1 ASN 5 6.222 21.467 -2.060 20 1HD2 ASN 5 HD21 ASN 5 2.793 22.214 -1.542 21 2HD2 ASN 5 HD22 ASN 5 2.348 22.131 -3.209 22 H ILE 6 HN ILE 6 6.690 19.170 -0.493 23 HA ILE 6 HA ILE 6 5.489 17.222 -2.253 24 HB ILE 6 HB ILE 6 8.021 16.933 -0.644 25 1HG1 ILE 6 HG12 ILE 6 8.831 17.553 -3.190 26 2HG1 ILE 6 HG11 ILE 6 7.429 18.602 -2.996 27 1HG2 ILE 6 HG21 ILE 6 8.641 15.322 -2.337 28 2HG2 ILE 6 HG22 ILE 6 7.156 15.651 -3.230 29 3HG2 ILE 6 HG23 ILE 6 7.078 14.892 -1.640 30 1HD1 ILE 6 HD11 ILE 6 9.919 19.267 -2.253 31 2HD1 ILE 6 HD12 ILE 6 9.320 18.578 -0.745 32 3HD1 ILE 6 HD13 ILE 6 8.464 19.921 -1.503 33 H GLU 7 HN GLU 7 6.401 17.489 1.146 34 HA GLU 7 HA GLU 7 5.772 14.941 2.030 35 1HB GLU 7 HB2 GLU 7 6.660 17.197 3.232 36 2HB GLU 7 HB1 GLU 7 5.007 17.158 3.832 37 1HG GLU 7 HG2 GLU 7 5.369 14.909 4.701 38 2HG GLU 7 HG1 GLU 7 7.022 14.936 4.087 39 H GLN 8 HN GLN 8 3.686 17.525 1.067 40 HA GLN 8 HA GLN 8 1.324 16.515 2.334 41 1HB GLN 8 HB2 GLN 8 1.902 18.929 1.428 42 2HB GLN 8 HB1 GLN 8 1.219 18.298 -0.064 43 1HG GLN 8 HG2 GLN 8 -0.586 19.316 0.958 44 2HG GLN 8 HG1 GLN 8 -0.788 17.617 1.386 45 1HE2 GLN 8 HE21 GLN 8 -1.564 17.479 3.359 46 2HE2 GLN 8 HE22 GLN 8 -1.047 18.399 4.727 47 H LYS 9 HN LYS 9 2.726 16.390 -0.899 48 HA LYS 9 HA LYS 9 0.640 15.036 -2.187 49 1HB LYS 9 HB2 LYS 9 2.985 16.102 -3.005 50 2HB LYS 9 HB1 LYS 9 3.402 14.394 -3.035 51 1HG LYS 9 HG2 LYS 9 2.194 14.018 -4.870 52 2HG LYS 9 HG1 LYS 9 0.827 14.963 -4.273 53 1HD LYS 9 HD2 LYS 9 1.477 16.822 -5.365 54 2HD LYS 9 HD1 LYS 9 3.186 16.546 -5.021 55 1HE LYS 9 HE2 LYS 9 2.580 16.439 -7.444 56 2HE LYS 9 HE1 LYS 9 3.374 14.993 -6.821 57 1HZ LYS 9 HZ1 LYS 9 1.298 13.862 -6.728 58 2HZ LYS 9 HZ2 LYS 9 1.425 14.550 -8.268 59 3HZ LYS 9 HZ3 LYS 9 0.433 15.268 -7.101 60 H ILE 10 HN ILE 10 3.495 13.821 -0.476 61 HA ILE 10 HA ILE 10 2.996 11.088 -1.016 62 HB ILE 10 HB ILE 10 4.441 10.667 1.013 63 1HG1 ILE 10 HG12 ILE 10 4.918 13.647 0.868 64 2HG1 ILE 10 HG11 ILE 10 3.933 12.866 2.102 65 1HG2 ILE 10 HG21 ILE 10 5.381 10.584 -1.177 66 2HG2 ILE 10 HG22 ILE 10 6.500 11.472 -0.142 67 3HG2 ILE 10 HG23 ILE 10 5.458 12.343 -1.268 68 1HD1 ILE 10 HD11 ILE 10 5.957 11.506 2.698 69 2HD1 ILE 10 HD12 ILE 10 6.056 13.231 3.053 70 3HD1 ILE 10 HD13 ILE 10 6.881 12.573 1.640 71 H ASP 11 HN ASP 11 2.119 13.204 1.697 72 HA ASP 11 HA ASP 11 1.075 11.389 3.473 73 1HB ASP 11 HB2 ASP 11 1.183 13.985 3.595 74 2HB ASP 11 HB1 ASP 11 -0.417 13.929 2.862 75 H ASP 12 HN ASP 12 -0.275 12.565 0.477 76 HA ASP 12 HA ASP 12 -2.871 11.447 0.784 77 1HB ASP 12 HB2 ASP 12 -1.295 12.658 -1.409 78 2HB ASP 12 HB1 ASP 12 -2.535 11.514 -1.915 79 H ILE 13 HN ILE 13 0.074 10.357 -0.861 80 HA ILE 13 HA ILE 13 -0.913 7.898 -1.784 81 HB ILE 13 HB ILE 13 1.933 8.494 -0.957 82 1HG1 ILE 13 HG12 ILE 13 0.546 8.949 -3.609 83 2HG1 ILE 13 HG11 ILE 13 1.120 10.201 -2.512 84 1HG2 ILE 13 HG21 ILE 13 1.509 6.762 -3.250 85 2HG2 ILE 13 HG22 ILE 13 0.794 6.117 -1.775 86 3HG2 ILE 13 HG23 ILE 13 2.510 6.521 -1.819 87 1HD1 ILE 13 HD11 ILE 13 3.426 9.057 -2.840 88 2HD1 ILE 13 HD12 ILE 13 2.788 10.131 -4.086 89 3HD1 ILE 13 HD13 ILE 13 2.674 8.381 -4.285 90 H ASP 14 HN ASP 14 0.807 8.742 1.212 91 HA ASP 14 HA ASP 14 1.089 6.274 2.374 92 1HB ASP 14 HB2 ASP 14 1.558 8.797 3.202 93 2HB ASP 14 HB1 ASP 14 0.142 8.424 4.180 94 H HIS 15 HN HIS 15 -1.816 8.189 2.023 95 HA HIS 15 HA HIS 15 -3.396 6.599 3.814 96 1HB HIS 15 HB2 HIS 15 -3.783 9.051 3.041 97 2HB HIS 15 HB1 HIS 15 -4.527 8.318 1.624 98 HD1 HIS 15 HD1 HIS 15 -5.424 6.024 4.069 99 HD2 HIS 15 HD2 HIS 15 -6.620 9.928 3.299 100 HE1 HIS 15 HE1 HIS 15 -7.658 6.277 5.195 101 HE2 HIS 15 HE2 HIS 15 -8.320 8.675 4.791 102 H GLU 16 HN GLU 16 -2.549 6.530 0.445 103 HA GLU 16 HA GLU 16 -4.603 4.609 -0.230 104 1HB GLU 16 HB2 GLU 16 -2.260 5.380 -1.954 105 2HB GLU 16 HB1 GLU 16 -3.830 4.771 -2.461 106 1HG GLU 16 HG2 GLU 16 -3.568 7.394 -1.041 107 2HG GLU 16 HG1 GLU 16 -3.312 7.261 -2.781 108 H ILE 17 HN ILE 17 -1.188 4.648 0.512 109 HA ILE 17 HA ILE 17 -0.545 2.038 -0.342 110 HB ILE 17 HB ILE 17 0.755 3.534 1.935 111 1HG1 ILE 17 HG12 ILE 17 1.796 3.641 -0.861 112 2HG1 ILE 17 HG11 ILE 17 0.461 4.699 -0.425 113 1HG2 ILE 17 HG21 ILE 17 2.343 1.967 1.921 114 2HG2 ILE 17 HG22 ILE 17 2.425 1.944 0.159 115 3HG2 ILE 17 HG23 ILE 17 1.202 0.989 0.997 116 1HD1 ILE 17 HD11 ILE 17 3.250 4.999 0.085 117 2HD1 ILE 17 HD12 ILE 17 2.373 4.943 1.615 118 3HD1 ILE 17 HD13 ILE 17 1.931 6.130 0.389 119 H ALA 18 HN ALA 18 -1.918 3.338 2.604 120 HA ALA 18 HA ALA 18 -1.695 0.872 4.077 121 1HB ALA 18 HB1 ALA 18 -2.651 3.608 4.611 122 2HB ALA 18 HB2 ALA 18 -1.700 2.518 5.619 123 3HB ALA 18 HB3 ALA 18 -3.450 2.324 5.519 124 H ASP 19 HN ASP 19 -4.188 2.572 2.257 125 HA ASP 19 HA ASP 19 -6.441 1.161 3.027 126 1HB ASP 19 HB2 ASP 19 -6.009 3.132 1.258 127 2HB ASP 19 HB1 ASP 19 -6.171 1.786 0.134 128 H LEU 20 HN LEU 20 -4.032 0.335 0.568 129 HA LEU 20 HA LEU 20 -5.337 -2.042 -0.286 130 1HB LEU 20 HB2 LEU 20 -2.390 -1.548 -0.524 131 2HB LEU 20 HB1 LEU 20 -3.431 -2.466 -1.593 132 HG LEU 20 HG LEU 20 -3.163 0.516 -1.358 133 1HD1 LEU 20 HD11 LEU 20 -2.743 -1.549 -3.481 134 2HD1 LEU 20 HD12 LEU 20 -1.652 -0.285 -2.917 135 3HD1 LEU 20 HD13 LEU 20 -3.046 0.135 -3.910 136 1HD2 LEU 20 HD21 LEU 20 -5.327 -0.933 -2.878 137 2HD2 LEU 20 HD22 LEU 20 -5.072 0.810 -2.784 138 3HD2 LEU 20 HD23 LEU 20 -5.576 -0.086 -1.352 139 H GLN 21 HN GLN 21 -2.548 -1.446 1.839 140 HA GLN 21 HA GLN 21 -1.928 -4.054 2.504 141 1HB GLN 21 HB2 GLN 21 -0.830 -1.771 3.181 142 2HB GLN 21 HB1 GLN 21 -1.841 -1.931 4.611 143 1HG GLN 21 HG2 GLN 21 -0.744 -4.368 4.585 144 2HG GLN 21 HG1 GLN 21 0.541 -3.464 3.785 145 1HE2 GLN 21 HE21 GLN 21 1.686 -4.178 5.768 146 2HE2 GLN 21 HE22 GLN 21 1.595 -3.161 7.160 147 H ALA 22 HN ALA 22 -4.486 -2.001 3.748 148 HA ALA 22 HA ALA 22 -5.225 -3.703 5.908 149 1HB ALA 22 HB1 ALA 22 -5.932 -1.507 6.174 150 2HB ALA 22 HB2 ALA 22 -7.415 -2.344 5.718 151 3HB ALA 22 HB3 ALA 22 -6.534 -1.395 4.521 152 H LYS 23 HN LYS 23 -6.113 -3.481 2.529 153 HA LYS 23 HA LYS 23 -8.400 -5.146 2.647 154 1HB LYS 23 HB2 LYS 23 -6.830 -3.820 0.609 155 2HB LYS 23 HB1 LYS 23 -7.284 -5.439 0.093 156 1HG LYS 23 HG2 LYS 23 -9.131 -4.376 -0.627 157 2HG LYS 23 HG1 LYS 23 -9.645 -4.599 1.047 158 1HD LYS 23 HD2 LYS 23 -10.012 -2.371 0.936 159 2HD LYS 23 HD1 LYS 23 -8.282 -2.288 1.280 160 1HE LYS 23 HE2 LYS 23 -7.750 -1.667 -0.847 161 2HE LYS 23 HE1 LYS 23 -9.105 -2.541 -1.558 162 1HZ LYS 23 HZ1 LYS 23 -10.561 -0.823 -1.101 163 2HZ LYS 23 HZ2 LYS 23 -9.155 0.010 -1.537 164 3HZ LYS 23 HZ3 LYS 23 -9.573 -0.146 0.095 165 H ARG 24 HN ARG 24 -4.969 -5.774 2.209 166 HA ARG 24 HA ARG 24 -5.193 -8.487 1.445 167 1HB ARG 24 HB2 ARG 24 -3.076 -6.634 2.165 168 2HB ARG 24 HB1 ARG 24 -2.768 -8.243 2.804 169 1HG ARG 24 HG2 ARG 24 -3.378 -8.996 0.374 170 2HG ARG 24 HG1 ARG 24 -2.962 -7.327 -0.018 171 1HD ARG 24 HD2 ARG 24 -0.815 -7.876 -0.002 172 2HD ARG 24 HD1 ARG 24 -0.949 -8.297 1.705 173 HE ARG 24 HE ARG 24 -1.783 -10.346 -0.166 174 1HH1 ARG 24 HH11 ARG 24 0.812 -9.062 1.788 175 2HH1 ARG 24 HH12 ARG 24 1.688 -10.554 1.822 176 1HH2 ARG 24 HH21 ARG 24 -0.629 -12.306 -0.120 177 2HH2 ARG 24 HH22 ARG 24 0.871 -12.394 0.739 178 H THR 25 HN THR 25 -4.666 -6.951 4.606 179 HA THR 25 HA THR 25 -4.442 -9.311 6.106 180 HB THR 25 HB THR 25 -5.717 -7.001 7.425 181 HG1 THR 25 HG1 THR 25 -4.131 -5.603 7.054 182 1HG2 THR 25 HG21 THR 25 -3.497 -8.883 7.981 183 2HG2 THR 25 HG22 THR 25 -4.838 -8.372 9.006 184 3HG2 THR 25 HG23 THR 25 -3.466 -7.295 8.748 185 H ARG 26 HN ARG 26 -7.263 -7.162 5.708 186 HA ARG 26 HA ARG 26 -9.113 -8.601 7.150 187 1HB ARG 26 HB2 ARG 26 -10.839 -7.566 5.739 188 2HB ARG 26 HB1 ARG 26 -9.604 -6.406 6.206 189 1HG ARG 26 HG2 ARG 26 -8.575 -6.579 4.019 190 2HG ARG 26 HG1 ARG 26 -9.752 -7.804 3.544 191 1HD ARG 26 HD2 ARG 26 -10.239 -4.898 4.147 192 2HD ARG 26 HD1 ARG 26 -10.491 -5.746 2.623 193 HE ARG 26 HE ARG 26 -12.147 -7.040 4.320 194 1HH1 ARG 26 HH11 ARG 26 -11.695 -3.666 3.551 195 2HH1 ARG 26 HH12 ARG 26 -13.344 -3.244 3.865 196 1HH2 ARG 26 HH21 ARG 26 -14.317 -6.487 4.734 197 2HH2 ARG 26 HH22 ARG 26 -14.834 -4.845 4.538 198 H LEU 27 HN LEU 27 -8.137 -9.048 3.784 199 HA LEU 27 HA LEU 27 -9.948 -11.114 3.168 200 1HB LEU 27 HB2 LEU 27 -7.474 -10.013 1.998 201 2HB LEU 27 HB1 LEU 27 -7.802 -11.688 1.597 202 HG LEU 27 HG LEU 27 -8.655 -10.043 -0.073 203 1HD1 LEU 27 HD11 LEU 27 -10.276 -12.106 1.278 204 2HD1 LEU 27 HD12 LEU 27 -9.764 -11.981 -0.405 205 3HD1 LEU 27 HD13 LEU 27 -11.131 -11.028 0.175 206 1HD2 LEU 27 HD21 LEU 27 -10.863 -8.952 0.615 207 2HD2 LEU 27 HD22 LEU 27 -9.372 -8.206 1.185 208 3HD2 LEU 27 HD23 LEU 27 -10.328 -9.212 2.275 209 H VAL 28 HN VAL 28 -6.734 -11.098 4.623 210 HA VAL 28 HA VAL 28 -6.308 -13.886 4.613 211 HB VAL 28 HB VAL 28 -5.297 -11.928 6.670 212 1HG1 VAL 28 HG11 VAL 28 -4.729 -14.747 6.034 213 2HG1 VAL 28 HG12 VAL 28 -4.581 -13.873 7.558 214 3HG1 VAL 28 HG13 VAL 28 -3.321 -13.728 6.334 215 1HG2 VAL 28 HG21 VAL 28 -4.812 -11.960 3.882 216 2HG2 VAL 28 HG22 VAL 28 -3.349 -12.539 4.679 217 3HG2 VAL 28 HG23 VAL 28 -4.028 -10.973 5.115 218 H GLN 29 HN GLN 29 -7.785 -11.703 6.968 219 HA GLN 29 HA GLN 29 -8.234 -13.463 9.058 220 1HB GLN 29 HB2 GLN 29 -9.597 -11.006 8.069 221 2HB GLN 29 HB1 GLN 29 -10.454 -11.988 9.248 222 1HG GLN 29 HG2 GLN 29 -9.311 -10.374 10.495 223 2HG GLN 29 HG1 GLN 29 -8.367 -11.852 10.672 224 1HE2 GLN 29 HE21 GLN 29 -6.297 -11.890 10.003 225 2HE2 GLN 29 HE22 GLN 29 -5.480 -10.551 9.277 226 H GLN 30 HN GLN 30 -9.836 -13.148 5.985 227 HA GLN 30 HA GLN 30 -12.084 -14.794 6.625 228 1HB GLN 30 HB2 GLN 30 -10.939 -14.149 3.902 229 2HB GLN 30 HB1 GLN 30 -12.556 -14.748 4.244 230 1HG GLN 30 HG2 GLN 30 -11.803 -12.245 5.598 231 2HG GLN 30 HG1 GLN 30 -11.963 -12.161 3.844 232 1HE2 GLN 30 HE21 GLN 30 -13.845 -11.199 3.494 233 2HE2 GLN 30 HE22 GLN 30 -15.360 -11.674 4.174 234 H HIS 31 HN HIS 31 -8.843 -15.327 5.408 235 HA HIS 31 HA HIS 31 -9.316 -18.214 5.626 236 1HB HIS 31 HB2 HIS 31 -8.083 -18.681 3.584 237 2HB HIS 31 HB1 HIS 31 -9.456 -17.638 3.231 238 HD1 HIS 31 HD1 HIS 31 -8.704 -14.948 3.233 239 HD2 HIS 31 HD2 HIS 31 -5.808 -17.807 2.416 240 HE1 HIS 31 HE1 HIS 31 -6.881 -13.731 2.013 241 HE2 HIS 31 HE2 HIS 31 -5.047 -15.433 1.748 242 HA PRO 32 HA PRO 32 -5.350 -16.882 7.643 243 1HB PRO 32 HB2 PRO 32 -5.989 -17.253 10.211 244 2HB PRO 32 HB1 PRO 32 -6.470 -15.785 9.350 245 1HG PRO 32 HG2 PRO 32 -8.093 -18.188 10.054 246 2HG PRO 32 HG1 PRO 32 -8.558 -16.479 10.060 247 1HD PRO 32 HD2 PRO 32 -9.134 -18.300 8.037 248 2HD PRO 32 HD1 PRO 32 -9.166 -16.536 7.867 249 H ARG 33 HN ARG 33 -7.469 -19.633 8.097 250 HA ARG 33 HA ARG 33 -5.120 -21.312 8.685 251 1HB ARG 33 HB2 ARG 33 -7.957 -21.448 9.640 252 2HB ARG 33 HB1 ARG 33 -6.993 -22.917 9.557 253 1HG ARG 33 HG2 ARG 33 -6.719 -22.198 11.744 254 2HG ARG 33 HG1 ARG 33 -5.261 -21.622 10.934 255 1HD ARG 33 HD2 ARG 33 -5.902 -19.758 12.131 256 2HD ARG 33 HD1 ARG 33 -6.649 -19.454 10.564 257 HE ARG 33 HE ARG 33 -8.714 -19.668 11.539 258 1HH1 ARG 33 HH11 ARG 33 -6.286 -20.880 13.733 259 2HH1 ARG 33 HH12 ARG 33 -7.388 -21.042 15.060 260 1HH2 ARG 33 HH21 ARG 33 -10.163 -19.880 13.282 261 2HH2 ARG 33 HH22 ARG 33 -9.588 -20.475 14.804 262 H CYS 1 HN CYS 1 -14.528 -23.867 -4.500 263 HA CYS 1 HA CYS 1 -16.713 -22.375 -4.308 264 1HB CYS 1 HB2 CYS 1 -16.639 -24.125 -1.843 265 2HB CYS 1 HB1 CYS 1 -17.620 -22.671 -1.998 266 HG CYS 1 HG CYS 1 -19.201 -23.868 -3.528 267 H GLY 2 HN GLY 2 -14.610 -23.438 -1.622 268 1HA GLY 2 HA2 GLY 2 -13.751 -20.641 -1.312 269 2HA GLY 2 HA1 GLY 2 -13.642 -21.882 -0.075 270 H GLY 3 HN GLY 3 -11.750 -22.897 0.197 271 1HA GLY 3 HA2 GLY 3 -9.642 -23.720 -0.276 272 2HA GLY 3 HA1 GLY 3 -9.901 -23.303 -1.964 273 H ASP 4 HN ASP 4 -7.862 -22.420 -2.250 274 HA ASP 4 HA ASP 4 -7.067 -20.181 -0.556 275 1HB ASP 4 HB2 ASP 4 -5.624 -21.534 -2.837 276 2HB ASP 4 HB1 ASP 4 -4.950 -20.274 -1.807 277 H ASN 5 HN ASN 5 -9.229 -20.267 -2.796 278 HA ASN 5 HA ASN 5 -8.504 -18.654 -4.927 279 1HB ASN 5 HB2 ASN 5 -10.757 -19.844 -4.429 280 2HB ASN 5 HB1 ASN 5 -11.179 -18.360 -3.579 281 1HD2 ASN 5 HD21 ASN 5 -9.494 -19.093 -6.616 282 2HD2 ASN 5 HD22 ASN 5 -10.474 -18.069 -7.604 283 H ILE 6 HN ILE 6 -9.090 -17.880 -1.610 284 HA ILE 6 HA ILE 6 -9.271 -15.037 -1.987 285 HB ILE 6 HB ILE 6 -8.665 -16.488 0.581 286 1HG1 ILE 6 HG12 ILE 6 -11.378 -15.921 0.601 287 2HG1 ILE 6 HG11 ILE 6 -11.101 -16.505 -1.037 288 1HG2 ILE 6 HG21 ILE 6 -8.394 -14.030 0.513 289 2HG2 ILE 6 HG22 ILE 6 -9.640 -14.567 1.642 290 3HG2 ILE 6 HG23 ILE 6 -10.097 -13.888 0.080 291 1HD1 ILE 6 HD11 ILE 6 -10.088 -18.021 1.333 292 2HD1 ILE 6 HD12 ILE 6 -10.411 -18.596 -0.302 293 3HD1 ILE 6 HD13 ILE 6 -11.751 -18.193 0.771 294 H GLU 7 HN GLU 7 -6.859 -17.336 -0.816 295 HA GLU 7 HA GLU 7 -4.831 -15.565 -0.125 296 1HB GLU 7 HB2 GLU 7 -5.112 -18.285 -0.140 297 2HB GLU 7 HB1 GLU 7 -3.919 -18.049 -1.409 298 1HG GLU 7 HG2 GLU 7 -2.668 -16.606 0.288 299 2HG GLU 7 HG1 GLU 7 -3.735 -17.328 1.491 300 H GLN 8 HN GLN 8 -5.945 -16.595 -3.239 301 HA GLN 8 HA GLN 8 -3.606 -15.691 -4.659 302 1HB GLN 8 HB2 GLN 8 -5.270 -17.532 -5.377 303 2HB GLN 8 HB1 GLN 8 -6.300 -16.205 -5.893 304 1HG GLN 8 HG2 GLN 8 -3.595 -15.914 -6.878 305 2HG GLN 8 HG1 GLN 8 -4.323 -17.442 -7.375 306 1HE2 GLN 8 HE21 GLN 8 -6.823 -16.982 -7.909 307 2HE2 GLN 8 HE22 GLN 8 -7.039 -15.747 -9.096 308 H LYS 9 HN LYS 9 -6.840 -14.507 -3.950 309 HA LYS 9 HA LYS 9 -6.787 -12.218 -5.582 310 1HB LYS 9 HB2 LYS 9 -8.760 -13.313 -4.301 311 2HB LYS 9 HB1 LYS 9 -8.236 -12.314 -2.953 312 1HG LYS 9 HG2 LYS 9 -8.342 -10.527 -5.039 313 2HG LYS 9 HG1 LYS 9 -9.712 -11.594 -5.351 314 1HD LYS 9 HD2 LYS 9 -9.753 -11.070 -2.593 315 2HD LYS 9 HD1 LYS 9 -9.424 -9.523 -3.376 316 1HE LYS 9 HE2 LYS 9 -11.650 -9.410 -3.621 317 2HE LYS 9 HE1 LYS 9 -11.398 -10.530 -4.958 318 1HZ LYS 9 HZ1 LYS 9 -13.139 -11.278 -3.439 319 2HZ LYS 9 HZ2 LYS 9 -12.027 -11.320 -2.166 320 3HZ LYS 9 HZ3 LYS 9 -11.846 -12.369 -3.480 321 H ILE 10 HN ILE 10 -5.645 -12.824 -2.310 322 HA ILE 10 HA ILE 10 -5.076 -10.103 -1.696 323 HB ILE 10 HB ILE 10 -3.578 -11.070 0.075 324 1HG1 ILE 10 HG12 ILE 10 -4.800 -13.696 -0.783 325 2HG1 ILE 10 HG11 ILE 10 -3.139 -13.218 -1.121 326 1HG2 ILE 10 HG21 ILE 10 -6.223 -10.654 0.051 327 2HG2 ILE 10 HG22 ILE 10 -5.345 -11.213 1.475 328 3HG2 ILE 10 HG23 ILE 10 -6.197 -12.371 0.455 329 1HD1 ILE 10 HD11 ILE 10 -2.669 -13.118 1.256 330 2HD1 ILE 10 HD12 ILE 10 -3.283 -14.706 0.798 331 3HD1 ILE 10 HD13 ILE 10 -4.340 -13.555 1.614 332 H ASP 11 HN ASP 11 -3.110 -12.793 -2.940 333 HA ASP 11 HA ASP 11 -0.609 -11.622 -2.889 334 1HB ASP 11 HB2 ASP 11 -1.557 -13.961 -3.852 335 2HB ASP 11 HB1 ASP 11 -1.294 -13.104 -5.368 336 H ASP 12 HN ASP 12 -3.289 -11.107 -5.057 337 HA ASP 12 HA ASP 12 -1.915 -9.549 -6.994 338 1HB ASP 12 HB2 ASP 12 -4.752 -10.090 -6.294 339 2HB ASP 12 HB1 ASP 12 -4.436 -8.602 -7.180 340 H ILE 13 HN ILE 13 -3.770 -8.785 -4.094 341 HA ILE 13 HA ILE 13 -3.570 -5.984 -4.247 342 HB ILE 13 HB ILE 13 -3.719 -7.642 -1.726 343 1HG1 ILE 13 HG12 ILE 13 -5.925 -6.672 -3.553 344 2HG1 ILE 13 HG11 ILE 13 -5.483 -8.346 -3.233 345 1HG2 ILE 13 HG21 ILE 13 -4.019 -5.738 -0.604 346 2HG2 ILE 13 HG22 ILE 13 -5.169 -5.127 -1.792 347 3HG2 ILE 13 HG23 ILE 13 -3.437 -4.912 -2.049 348 1HD1 ILE 13 HD11 ILE 13 -7.333 -6.701 -1.855 349 2HD1 ILE 13 HD12 ILE 13 -6.030 -7.127 -0.745 350 3HD1 ILE 13 HD13 ILE 13 -6.934 -8.395 -1.573 351 H ASP 14 HN ASP 14 -1.560 -8.412 -2.596 352 HA ASP 14 HA ASP 14 0.241 -6.809 -1.288 353 1HB ASP 14 HB2 ASP 14 0.069 -9.438 -1.580 354 2HB ASP 14 HB1 ASP 14 1.322 -9.156 -2.785 355 H HIS 15 HN HIS 15 0.008 -7.442 -4.715 356 HA HIS 15 HA HIS 15 2.557 -6.285 -5.359 357 1HB HIS 15 HB2 HIS 15 0.938 -7.963 -6.698 358 2HB HIS 15 HB1 HIS 15 0.426 -6.441 -7.420 359 HD1 HIS 15 HD1 HIS 15 3.647 -5.517 -6.946 360 HD2 HIS 15 HD2 HIS 15 2.005 -8.486 -9.343 361 HE1 HIS 15 HE1 HIS 15 5.358 -5.959 -8.735 362 HE2 HIS 15 HE2 HIS 15 4.381 -7.822 -10.120 363 H GLU 16 HN GLU 16 -0.728 -5.182 -5.020 364 HA GLU 16 HA GLU 16 -0.204 -2.628 -6.263 365 1HB GLU 16 HB2 GLU 16 -2.621 -3.320 -4.610 366 2HB GLU 16 HB1 GLU 16 -2.488 -2.134 -5.903 367 1HG GLU 16 HG2 GLU 16 -2.458 -3.791 -7.564 368 2HG GLU 16 HG1 GLU 16 -2.135 -5.071 -6.395 369 H ILE 17 HN ILE 17 -0.360 -3.973 -3.049 370 HA ILE 17 HA ILE 17 -0.496 -1.558 -1.590 371 HB ILE 17 HB ILE 17 0.809 -4.126 -0.681 372 1HG1 ILE 17 HG12 ILE 17 -2.044 -3.452 -0.101 373 2HG1 ILE 17 HG11 ILE 17 -1.643 -4.174 -1.653 374 1HG2 ILE 17 HG21 ILE 17 -0.711 -2.602 1.264 375 2HG2 ILE 17 HG22 ILE 17 0.610 -1.665 0.563 376 3HG2 ILE 17 HG23 ILE 17 0.943 -3.210 1.344 377 1HD1 ILE 17 HD11 ILE 17 -0.367 -5.631 0.450 378 2HD1 ILE 17 HD12 ILE 17 -1.553 -6.179 -0.736 379 3HD1 ILE 17 HD13 ILE 17 -2.091 -5.467 0.785 380 H ALA 18 HN ALA 18 2.154 -3.447 -2.908 381 HA ALA 18 HA ALA 18 4.221 -1.919 -1.637 382 1HB ALA 18 HB1 ALA 18 4.064 -4.218 -3.460 383 2HB ALA 18 HB2 ALA 18 5.130 -3.926 -2.086 384 3HB ALA 18 HB3 ALA 18 5.494 -3.203 -3.653 385 H ASP 19 HN ASP 19 2.614 -1.890 -4.771 386 HA ASP 19 HA ASP 19 4.352 -0.272 -6.206 387 1HB ASP 19 HB2 ASP 19 1.974 -1.424 -6.757 388 2HB ASP 19 HB1 ASP 19 1.458 0.251 -6.581 389 H LEU 20 HN LEU 20 1.648 0.685 -4.113 390 HA LEU 20 HA LEU 20 1.949 3.464 -4.469 391 1HB LEU 20 HB2 LEU 20 0.917 2.244 -1.934 392 2HB LEU 20 HB1 LEU 20 0.422 3.734 -2.714 393 HG LEU 20 HG LEU 20 -0.268 0.913 -3.486 394 1HD1 LEU 20 HD11 LEU 20 -1.804 3.347 -2.637 395 2HD1 LEU 20 HD12 LEU 20 -1.766 1.749 -1.892 396 3HD1 LEU 20 HD13 LEU 20 -2.577 1.981 -3.441 397 1HD2 LEU 20 HD21 LEU 20 -0.113 1.565 -5.627 398 2HD2 LEU 20 HD22 LEU 20 -0.022 3.274 -5.203 399 3HD2 LEU 20 HD23 LEU 20 -1.589 2.470 -5.292 400 H GLN 21 HN GLN 21 3.079 1.320 -1.860 401 HA GLN 21 HA GLN 21 4.338 3.146 -0.243 402 1HB GLN 21 HB2 GLN 21 4.093 0.590 0.020 403 2HB GLN 21 HB1 GLN 21 5.610 0.491 -0.864 404 1HG GLN 21 HG2 GLN 21 6.440 2.183 0.940 405 2HG GLN 21 HG1 GLN 21 5.072 1.559 1.863 406 1HE2 GLN 21 HE21 GLN 21 4.949 -0.886 1.901 407 2HE2 GLN 21 HE22 GLN 21 6.437 -1.727 2.157 408 H ALA 22 HN ALA 22 5.382 1.927 -3.340 409 HA ALA 22 HA ALA 22 8.074 2.863 -3.157 410 1HB ALA 22 HB1 ALA 22 7.710 2.663 -5.804 411 2HB ALA 22 HB2 ALA 22 6.361 1.672 -5.248 412 3HB ALA 22 HB3 ALA 22 8.007 1.270 -4.763 413 H LYS 23 HN LYS 23 5.052 4.178 -4.382 414 HA LYS 23 HA LYS 23 6.156 6.436 -5.681 415 1HB LYS 23 HB2 LYS 23 3.409 6.340 -4.449 416 2HB LYS 23 HB1 LYS 23 3.937 7.253 -5.856 417 1HG LYS 23 HG2 LYS 23 3.558 4.276 -5.656 418 2HG LYS 23 HG1 LYS 23 2.602 5.421 -6.597 419 1HD LYS 23 HD2 LYS 23 4.450 5.860 -8.059 420 2HD LYS 23 HD1 LYS 23 5.542 4.923 -7.039 421 1HE LYS 23 HE2 LYS 23 4.973 3.021 -8.046 422 2HE LYS 23 HE1 LYS 23 3.254 3.351 -7.834 423 1HZ LYS 23 HZ1 LYS 23 3.084 4.287 -9.886 424 2HZ LYS 23 HZ2 LYS 23 4.329 3.186 -10.204 425 3HZ LYS 23 HZ3 LYS 23 4.692 4.814 -9.923 426 H ARG 24 HN ARG 24 5.249 5.785 -2.366 427 HA ARG 24 HA ARG 24 5.339 8.511 -1.505 428 1HB ARG 24 HB2 ARG 24 4.031 6.855 -0.284 429 2HB ARG 24 HB1 ARG 24 5.485 5.933 0.069 430 1HG ARG 24 HG2 ARG 24 6.070 7.264 1.774 431 2HG ARG 24 HG1 ARG 24 5.575 8.733 0.933 432 1HD ARG 24 HD2 ARG 24 3.175 7.538 1.387 433 2HD ARG 24 HD1 ARG 24 4.088 7.031 2.808 434 HE ARG 24 HE ARG 24 3.095 9.646 2.250 435 1HH1 ARG 24 HH11 ARG 24 5.686 7.912 3.819 436 2HH1 ARG 24 HH12 ARG 24 6.017 9.181 4.950 437 1HH2 ARG 24 HH21 ARG 24 3.529 11.315 3.737 438 2HH2 ARG 24 HH22 ARG 24 4.793 11.112 4.904 439 H THR 25 HN THR 25 7.610 5.792 -1.409 440 HA THR 25 HA THR 25 9.619 7.062 0.094 441 HB THR 25 HB THR 25 10.473 5.143 -1.984 442 HG1 THR 25 HG1 THR 25 9.428 3.425 -0.969 443 1HG2 THR 25 HG21 THR 25 11.269 3.966 0.169 444 2HG2 THR 25 HG22 THR 25 10.919 5.514 0.939 445 3HG2 THR 25 HG23 THR 25 12.093 5.428 -0.374 446 H ARG 26 HN ARG 26 9.370 6.616 -3.440 447 HA ARG 26 HA ARG 26 11.641 7.961 -4.217 448 1HB ARG 26 HB2 ARG 26 10.523 8.378 -6.354 449 2HB ARG 26 HB1 ARG 26 10.199 6.747 -5.781 450 1HG ARG 26 HG2 ARG 26 8.014 7.571 -4.905 451 2HG ARG 26 HG1 ARG 26 8.340 9.111 -5.702 452 1HD ARG 26 HD2 ARG 26 7.906 6.411 -6.946 453 2HD ARG 26 HD1 ARG 26 6.989 7.895 -7.200 454 HE ARG 26 HE ARG 26 9.435 7.119 -8.499 455 1HH1 ARG 26 HH11 ARG 26 7.397 9.806 -7.599 456 2HH1 ARG 26 HH12 ARG 26 8.011 10.848 -8.838 457 1HH2 ARG 26 HH21 ARG 26 10.243 8.490 -10.128 458 2HH2 ARG 26 HH22 ARG 26 9.626 10.102 -10.274 459 H LEU 27 HN LEU 27 8.437 9.301 -3.536 460 HA LEU 27 HA LEU 27 9.027 11.976 -4.154 461 1HB LEU 27 HB2 LEU 27 6.979 10.595 -2.489 462 2HB LEU 27 HB1 LEU 27 7.176 12.325 -2.281 463 HG LEU 27 HG LEU 27 6.765 11.174 -5.019 464 1HD1 LEU 27 HD11 LEU 27 4.958 10.253 -3.714 465 2HD1 LEU 27 HD12 LEU 27 4.346 11.559 -4.729 466 3HD1 LEU 27 HD13 LEU 27 4.618 11.834 -3.009 467 1HD2 LEU 27 HD21 LEU 27 7.450 13.498 -4.851 468 2HD2 LEU 27 HD22 LEU 27 6.118 13.830 -3.745 469 3HD2 LEU 27 HD23 LEU 27 5.785 13.388 -5.420 470 H VAL 28 HN VAL 28 9.506 10.056 -1.243 471 HA VAL 28 HA VAL 28 10.238 12.185 0.472 472 HB VAL 28 HB VAL 28 11.197 9.331 0.630 473 1HG1 VAL 28 HG11 VAL 28 11.358 11.675 2.406 474 2HG1 VAL 28 HG12 VAL 28 12.422 10.275 2.272 475 3HG1 VAL 28 HG13 VAL 28 10.915 10.154 3.179 476 1HG2 VAL 28 HG21 VAL 28 9.038 9.890 2.417 477 2HG2 VAL 28 HG22 VAL 28 9.138 8.673 1.146 478 3HG2 VAL 28 HG23 VAL 28 8.548 10.290 0.770 479 H GLN 29 HN GLN 29 12.076 10.044 -1.649 480 HA GLN 29 HA GLN 29 14.661 10.790 -0.983 481 1HB GLN 29 HB2 GLN 29 13.348 9.719 -3.424 482 2HB GLN 29 HB1 GLN 29 14.944 10.427 -3.633 483 1HG GLN 29 HG2 GLN 29 14.469 8.404 -1.488 484 2HG GLN 29 HG1 GLN 29 14.709 7.894 -3.159 485 1HE2 GLN 29 HE21 GLN 29 16.220 8.517 -0.297 486 2HE2 GLN 29 HE22 GLN 29 17.833 8.749 -0.869 487 H GLN 30 HN GLN 30 12.218 12.479 -2.787 488 HA GLN 30 HA GLN 30 13.982 14.464 -3.873 489 1HB GLN 30 HB2 GLN 30 10.976 14.331 -3.619 490 2HB GLN 30 HB1 GLN 30 11.824 15.666 -4.388 491 1HG GLN 30 HG2 GLN 30 12.437 12.928 -5.335 492 2HG GLN 30 HG1 GLN 30 10.865 13.608 -5.753 493 1HE2 GLN 30 HE21 GLN 30 10.947 15.838 -6.689 494 2HE2 GLN 30 HE22 GLN 30 12.216 16.176 -7.812 495 H HIS 31 HN HIS 31 12.075 14.075 -0.960 496 HA HIS 31 HA HIS 31 13.301 16.524 0.078 497 1HB HIS 31 HB2 HIS 31 11.247 17.338 1.038 498 2HB HIS 31 HB1 HIS 31 10.998 17.089 -0.685 499 HD1 HIS 31 HD1 HIS 31 9.942 14.510 -1.149 500 HD2 HIS 31 HD2 HIS 31 9.186 16.374 2.483 501 HE1 HIS 31 HE1 HIS 31 7.897 13.386 -0.226 502 HE2 HIS 31 HE2 HIS 31 7.597 14.384 2.065 503 HA PRO 32 HA PRO 32 13.400 12.862 3.008 504 1HB PRO 32 HB2 PRO 32 16.078 12.565 3.141 505 2HB PRO 32 HB1 PRO 32 15.106 11.796 1.882 506 1HG PRO 32 HG2 PRO 32 16.741 14.300 1.749 507 2HG PRO 32 HG1 PRO 32 16.611 12.986 0.566 508 1HD PRO 32 HD2 PRO 32 15.263 15.339 0.329 509 2HD PRO 32 HD1 PRO 32 14.651 13.802 -0.311 510 H ARG 33 HN ARG 33 15.199 15.864 2.783 511 HA ARG 33 HA ARG 33 15.192 16.036 5.726 512 1HB ARG 33 HB2 ARG 33 17.176 17.541 5.482 513 2HB ARG 33 HB1 ARG 33 17.471 15.875 5.001 514 1HG ARG 33 HG2 ARG 33 16.605 17.303 2.708 515 2HG ARG 33 HG1 ARG 33 17.860 18.252 3.504 516 1HD ARG 33 HD2 ARG 33 18.379 15.358 3.262 517 2HD ARG 33 HD1 ARG 33 18.364 16.269 1.752 518 HE ARG 33 HE ARG 33 20.340 16.392 3.836 519 1HH1 ARG 33 HH11 ARG 33 18.892 18.104 1.162 520 2HH1 ARG 33 HH12 ARG 33 20.275 19.109 0.893 521 1HH2 ARG 33 HH21 ARG 33 22.162 17.714 3.484 522 2HH2 ARG 33 HH22 ARG 33 22.132 18.887 2.210 Start of MODEL 9 1 H CYS 1 HT1 CYS 1 8.036 24.548 -8.595 2 HA CYS 1 HA CYS 1 10.268 24.129 -6.747 3 1HB CYS 1 HB2 CYS 1 8.807 26.377 -8.022 4 2HB CYS 1 HB1 CYS 1 9.328 26.625 -6.359 5 HG CYS 1 HG CYS 1 11.199 26.333 -8.796 6 H GLY 2 HN GLY 2 9.822 24.891 -4.518 7 1HA GLY 2 HA2 GLY 2 7.645 25.424 -3.147 8 2HA GLY 2 HA1 GLY 2 7.275 23.768 -3.608 9 H GLY 3 HN GLY 3 7.337 24.305 -0.983 10 1HA GLY 3 HA2 GLY 3 9.997 23.486 -0.029 11 2HA GLY 3 HA1 GLY 3 8.735 24.201 0.962 12 H ASP 4 HN ASP 4 6.940 22.899 1.592 13 HA ASP 4 HA ASP 4 7.665 20.084 1.851 14 1HB ASP 4 HB2 ASP 4 5.471 21.684 3.169 15 2HB ASP 4 HB1 ASP 4 5.867 20.007 3.531 16 H ASN 5 HN ASN 5 6.341 21.543 -0.556 17 HA ASN 5 HA ASN 5 3.749 20.649 -0.948 18 1HB ASN 5 HB2 ASN 5 5.462 22.077 -2.452 19 2HB ASN 5 HB1 ASN 5 5.573 20.533 -3.291 20 1HD2 ASN 5 HD21 ASN 5 2.911 22.285 -1.731 21 2HD2 ASN 5 HD22 ASN 5 1.867 22.268 -3.107 22 H ILE 6 HN ILE 6 6.749 18.944 -1.017 23 HA ILE 6 HA ILE 6 5.712 16.589 -2.314 24 HB ILE 6 HB ILE 6 8.264 16.826 -0.730 25 1HG1 ILE 6 HG12 ILE 6 7.942 17.337 -3.694 26 2HG1 ILE 6 HG11 ILE 6 8.037 18.620 -2.492 27 1HG2 ILE 6 HG21 ILE 6 9.025 14.990 -2.054 28 2HG2 ILE 6 HG22 ILE 6 7.587 15.062 -3.072 29 3HG2 ILE 6 HG23 ILE 6 7.448 14.570 -1.385 30 1HD1 ILE 6 HD11 ILE 6 10.172 16.551 -2.937 31 2HD1 ILE 6 HD12 ILE 6 10.263 17.973 -1.895 32 3HD1 ILE 6 HD13 ILE 6 10.172 18.165 -3.646 33 H GLU 7 HN GLU 7 6.648 17.568 0.948 34 HA GLU 7 HA GLU 7 6.185 15.168 2.284 35 1HB GLU 7 HB2 GLU 7 7.318 17.139 3.271 36 2HB GLU 7 HB1 GLU 7 5.769 17.967 3.349 37 1HG GLU 7 HG2 GLU 7 6.090 15.316 4.676 38 2HG GLU 7 HG1 GLU 7 6.732 16.767 5.446 39 H GLN 8 HN GLN 8 3.969 17.592 1.131 40 HA GLN 8 HA GLN 8 1.723 16.590 2.633 41 1HB GLN 8 HB2 GLN 8 2.038 18.989 1.806 42 2HB GLN 8 HB1 GLN 8 1.608 18.384 0.213 43 1HG GLN 8 HG2 GLN 8 -0.346 19.312 1.183 44 2HG GLN 8 HG1 GLN 8 -0.534 17.559 1.184 45 1HE2 GLN 8 HE21 GLN 8 -0.194 16.431 3.179 46 2HE2 GLN 8 HE22 GLN 8 -0.477 17.231 4.684 47 H LYS 9 HN LYS 9 2.970 16.350 -0.648 48 HA LYS 9 HA LYS 9 0.833 14.945 -1.794 49 1HB LYS 9 HB2 LYS 9 3.699 15.365 -2.456 50 2HB LYS 9 HB1 LYS 9 2.882 14.026 -3.252 51 1HG LYS 9 HG2 LYS 9 1.276 15.488 -4.231 52 2HG LYS 9 HG1 LYS 9 1.850 16.852 -3.268 53 1HD LYS 9 HD2 LYS 9 4.118 16.419 -4.425 54 2HD LYS 9 HD1 LYS 9 3.173 15.486 -5.587 55 1HE LYS 9 HE2 LYS 9 1.789 17.897 -5.243 56 2HE LYS 9 HE1 LYS 9 3.492 18.338 -5.351 57 1HZ LYS 9 HZ1 LYS 9 2.170 18.167 -7.504 58 2HZ LYS 9 HZ2 LYS 9 2.262 16.490 -7.300 59 3HZ LYS 9 HZ3 LYS 9 3.678 17.402 -7.457 60 H ILE 10 HN ILE 10 3.623 13.866 0.063 61 HA ILE 10 HA ILE 10 3.214 11.092 -0.437 62 HB ILE 10 HB ILE 10 4.654 10.756 1.596 63 1HG1 ILE 10 HG12 ILE 10 5.059 13.745 1.424 64 2HG1 ILE 10 HG11 ILE 10 4.063 12.959 2.646 65 1HG2 ILE 10 HG21 ILE 10 6.020 12.588 -0.326 66 2HG2 ILE 10 HG22 ILE 10 5.365 11.046 -0.877 67 3HG2 ILE 10 HG23 ILE 10 6.596 11.081 0.387 68 1HD1 ILE 10 HD11 ILE 10 6.285 13.504 3.484 69 2HD1 ILE 10 HD12 ILE 10 7.004 12.494 2.231 70 3HD1 ILE 10 HD13 ILE 10 5.998 11.764 3.481 71 H ASP 11 HN ASP 11 2.283 13.273 2.208 72 HA ASP 11 HA ASP 11 1.238 11.464 4.003 73 1HB ASP 11 HB2 ASP 11 0.641 14.292 3.314 74 2HB ASP 11 HB1 ASP 11 -0.571 13.441 4.266 75 H ASP 12 HN ASP 12 -0.073 12.623 0.989 76 HA ASP 12 HA ASP 12 -2.685 11.533 1.289 77 1HB ASP 12 HB2 ASP 12 -1.080 12.691 -0.925 78 2HB ASP 12 HB1 ASP 12 -2.389 11.609 -1.392 79 H ILE 13 HN ILE 13 0.293 10.415 -0.254 80 HA ILE 13 HA ILE 13 -0.697 7.973 -1.233 81 HB ILE 13 HB ILE 13 2.132 8.511 -0.320 82 1HG1 ILE 13 HG12 ILE 13 0.826 9.080 -2.992 83 2HG1 ILE 13 HG11 ILE 13 1.404 10.282 -1.844 84 1HG2 ILE 13 HG21 ILE 13 2.771 6.792 -1.852 85 2HG2 ILE 13 HG22 ILE 13 1.125 6.660 -2.473 86 3HG2 ILE 13 HG23 ILE 13 1.489 6.153 -0.824 87 1HD1 ILE 13 HD11 ILE 13 3.460 8.376 -2.598 88 2HD1 ILE 13 HD12 ILE 13 3.487 10.140 -2.600 89 3HD1 ILE 13 HD13 ILE 13 2.804 9.267 -3.972 90 H ASP 14 HN ASP 14 0.970 8.782 1.805 91 HA ASP 14 HA ASP 14 1.185 6.299 2.956 92 1HB ASP 14 HB2 ASP 14 1.656 8.833 3.806 93 2HB ASP 14 HB1 ASP 14 0.249 8.426 4.783 94 H HIS 15 HN HIS 15 -1.679 8.276 2.582 95 HA HIS 15 HA HIS 15 -3.312 6.694 4.332 96 1HB HIS 15 HB2 HIS 15 -3.658 9.155 3.612 97 2HB HIS 15 HB1 HIS 15 -4.356 8.478 2.144 98 HD1 HIS 15 HD1 HIS 15 -5.549 6.054 4.151 99 HD2 HIS 15 HD2 HIS 15 -6.322 10.137 4.117 100 HE1 HIS 15 HE1 HIS 15 -7.779 6.326 5.280 101 HE2 HIS 15 HE2 HIS 15 -8.266 8.795 5.172 102 H GLU 16 HN GLU 16 -2.421 6.646 0.975 103 HA GLU 16 HA GLU 16 -4.506 4.790 0.235 104 1HB GLU 16 HB2 GLU 16 -2.087 5.491 -1.415 105 2HB GLU 16 HB1 GLU 16 -3.662 4.939 -1.972 106 1HG GLU 16 HG2 GLU 16 -3.491 7.509 -0.483 107 2HG GLU 16 HG1 GLU 16 -2.950 7.455 -2.161 108 H ILE 17 HN ILE 17 -1.113 4.718 1.067 109 HA ILE 17 HA ILE 17 -0.518 2.095 0.223 110 HB ILE 17 HB ILE 17 0.732 3.550 2.558 111 1HG1 ILE 17 HG12 ILE 17 1.858 3.609 -0.211 112 2HG1 ILE 17 HG11 ILE 17 0.575 4.735 0.211 113 1HG2 ILE 17 HG21 ILE 17 2.709 2.157 1.318 114 2HG2 ILE 17 HG22 ILE 17 1.327 1.085 1.086 115 3HG2 ILE 17 HG23 ILE 17 1.795 1.580 2.712 116 1HD1 ILE 17 HD11 ILE 17 2.519 4.808 2.269 117 2HD1 ILE 17 HD12 ILE 17 2.067 6.075 1.129 118 3HD1 ILE 17 HD13 ILE 17 3.349 4.935 0.719 119 H ALA 18 HN ALA 18 -1.920 3.414 3.150 120 HA ALA 18 HA ALA 18 -1.826 0.945 4.615 121 1HB ALA 18 HB1 ALA 18 -1.860 2.571 6.167 122 2HB ALA 18 HB2 ALA 18 -3.610 2.452 5.979 123 3HB ALA 18 HB3 ALA 18 -2.714 3.701 5.116 124 H ASP 19 HN ASP 19 -4.212 2.678 2.691 125 HA ASP 19 HA ASP 19 -6.513 1.297 3.403 126 1HB ASP 19 HB2 ASP 19 -5.949 3.264 1.618 127 2HB ASP 19 HB1 ASP 19 -6.233 1.912 0.526 128 H LEU 20 HN LEU 20 -4.161 0.529 0.854 129 HA LEU 20 HA LEU 20 -5.424 -1.814 -0.054 130 1HB LEU 20 HB2 LEU 20 -2.453 -1.401 -0.108 131 2HB LEU 20 HB1 LEU 20 -3.454 -2.266 -1.257 132 HG LEU 20 HG LEU 20 -3.179 0.708 -0.915 133 1HD1 LEU 20 HD11 LEU 20 -1.502 -0.133 -2.320 134 2HD1 LEU 20 HD12 LEU 20 -2.749 0.465 -3.414 135 3HD1 LEU 20 HD13 LEU 20 -2.604 -1.265 -3.103 136 1HD2 LEU 20 HD21 LEU 20 -5.168 -0.712 -2.680 137 2HD2 LEU 20 HD22 LEU 20 -4.946 1.030 -2.510 138 3HD2 LEU 20 HD23 LEU 20 -5.575 0.085 -1.160 139 H GLN 21 HN GLN 21 -2.674 -1.414 2.181 140 HA GLN 21 HA GLN 21 -2.178 -4.038 2.799 141 1HB GLN 21 HB2 GLN 21 -0.965 -1.962 3.630 142 2HB GLN 21 HB1 GLN 21 -2.195 -1.858 4.884 143 1HG GLN 21 HG2 GLN 21 -1.548 -4.009 5.757 144 2HG GLN 21 HG1 GLN 21 -0.395 -4.230 4.442 145 1HE2 GLN 21 HE21 GLN 21 1.255 -4.499 5.995 146 2HE2 GLN 21 HE22 GLN 21 1.945 -3.141 6.810 147 H ALA 22 HN ALA 22 -4.859 -2.064 3.833 148 HA ALA 22 HA ALA 22 -5.740 -3.812 5.917 149 1HB ALA 22 HB1 ALA 22 -6.267 -1.298 5.545 150 2HB ALA 22 HB2 ALA 22 -7.512 -2.354 6.214 151 3HB ALA 22 HB3 ALA 22 -7.560 -1.902 4.510 152 H LYS 23 HN LYS 23 -6.388 -3.479 2.487 153 HA LYS 23 HA LYS 23 -8.657 -5.175 2.395 154 1HB LYS 23 HB2 LYS 23 -6.718 -4.739 0.128 155 2HB LYS 23 HB1 LYS 23 -8.432 -5.117 0.028 156 1HG LYS 23 HG2 LYS 23 -7.186 -2.531 0.927 157 2HG LYS 23 HG1 LYS 23 -8.126 -2.821 -0.538 158 1HD LYS 23 HD2 LYS 23 -10.127 -3.122 0.695 159 2HD LYS 23 HD1 LYS 23 -9.252 -3.224 2.224 160 1HE LYS 23 HE2 LYS 23 -9.077 -0.982 2.421 161 2HE LYS 23 HE1 LYS 23 -8.840 -0.745 0.690 162 1HZ LYS 23 HZ1 LYS 23 -11.293 -0.743 2.243 163 2HZ LYS 23 HZ2 LYS 23 -11.385 -1.503 0.736 164 3HZ LYS 23 HZ3 LYS 23 -10.898 0.114 0.839 165 H ARG 24 HN ARG 24 -5.206 -5.769 2.317 166 HA ARG 24 HA ARG 24 -5.385 -8.454 1.372 167 1HB ARG 24 HB2 ARG 24 -3.301 -6.629 2.254 168 2HB ARG 24 HB1 ARG 24 -3.022 -8.265 2.833 169 1HG ARG 24 HG2 ARG 24 -3.531 -8.914 0.354 170 2HG ARG 24 HG1 ARG 24 -3.108 -7.231 0.046 171 1HD ARG 24 HD2 ARG 24 -0.961 -7.778 0.115 172 2HD ARG 24 HD1 ARG 24 -1.155 -8.262 1.798 173 HE ARG 24 HE ARG 24 -1.917 -10.241 -0.176 174 1HH1 ARG 24 HH11 ARG 24 0.606 -9.026 1.914 175 2HH1 ARG 24 HH12 ARG 24 1.482 -10.519 1.928 176 1HH2 ARG 24 HH21 ARG 24 -0.763 -12.202 -0.156 177 2HH2 ARG 24 HH22 ARG 24 0.707 -12.321 0.754 178 H THR 25 HN THR 25 -5.155 -6.993 4.592 179 HA THR 25 HA THR 25 -4.925 -9.405 6.034 180 HB THR 25 HB THR 25 -6.337 -7.196 7.369 181 HG1 THR 25 HG1 THR 25 -3.732 -6.822 6.312 182 1HG2 THR 25 HG21 THR 25 -4.810 -7.530 9.102 183 2HG2 THR 25 HG22 THR 25 -3.651 -8.332 8.044 184 3HG2 THR 25 HG23 THR 25 -5.153 -9.144 8.481 185 H ARG 26 HN ARG 26 -7.779 -7.303 5.589 186 HA ARG 26 HA ARG 26 -9.655 -8.853 6.862 187 1HB ARG 26 HB2 ARG 26 -11.342 -7.742 5.547 188 2HB ARG 26 HB1 ARG 26 -10.068 -6.592 5.925 189 1HG ARG 26 HG2 ARG 26 -10.287 -6.090 3.743 190 2HG ARG 26 HG1 ARG 26 -9.186 -7.454 3.551 191 1HD ARG 26 HD2 ARG 26 -10.809 -8.825 2.726 192 2HD ARG 26 HD1 ARG 26 -12.087 -8.049 3.660 193 HE ARG 26 HE ARG 26 -11.389 -7.480 0.991 194 1HH1 ARG 26 HH11 ARG 26 -12.305 -5.868 3.947 195 2HH1 ARG 26 HH12 ARG 26 -13.013 -4.512 3.135 196 1HH2 ARG 26 HH21 ARG 26 -12.320 -5.698 -0.079 197 2HH2 ARG 26 HH22 ARG 26 -13.023 -4.416 0.849 198 H LEU 27 HN LEU 27 -8.396 -9.208 3.592 199 HA LEU 27 HA LEU 27 -10.180 -11.264 2.800 200 1HB LEU 27 HB2 LEU 27 -7.746 -10.011 1.746 201 2HB LEU 27 HB1 LEU 27 -7.905 -11.706 1.329 202 HG LEU 27 HG LEU 27 -10.406 -10.752 0.743 203 1HD1 LEU 27 HD11 LEU 27 -9.654 -8.445 1.164 204 2HD1 LEU 27 HD12 LEU 27 -10.143 -8.706 -0.510 205 3HD1 LEU 27 HD13 LEU 27 -8.431 -8.635 -0.092 206 1HD2 LEU 27 HD21 LEU 27 -9.409 -12.195 -0.769 207 2HD2 LEU 27 HD22 LEU 27 -7.942 -11.225 -0.885 208 3HD2 LEU 27 HD23 LEU 27 -9.428 -10.670 -1.654 209 H VAL 28 HN VAL 28 -7.022 -11.222 4.374 210 HA VAL 28 HA VAL 28 -6.480 -13.975 4.271 211 HB VAL 28 HB VAL 28 -5.720 -12.071 6.484 212 1HG1 VAL 28 HG11 VAL 28 -3.660 -13.794 6.277 213 2HG1 VAL 28 HG12 VAL 28 -4.998 -14.851 5.826 214 3HG1 VAL 28 HG13 VAL 28 -5.017 -14.019 7.381 215 1HG2 VAL 28 HG21 VAL 28 -4.363 -11.029 5.068 216 2HG2 VAL 28 HG22 VAL 28 -4.996 -12.012 3.749 217 3HG2 VAL 28 HG23 VAL 28 -3.588 -12.560 4.658 218 H GLN 29 HN GLN 29 -8.179 -12.016 6.684 219 HA GLN 29 HA GLN 29 -8.705 -13.962 8.584 220 1HB GLN 29 HB2 GLN 29 -9.792 -11.359 7.867 221 2HB GLN 29 HB1 GLN 29 -11.039 -12.435 8.482 222 1HG GLN 29 HG2 GLN 29 -10.166 -12.486 10.572 223 2HG GLN 29 HG1 GLN 29 -8.508 -12.295 10.005 224 1HE2 GLN 29 HE21 GLN 29 -7.718 -10.228 9.575 225 2HE2 GLN 29 HE22 GLN 29 -8.496 -8.808 10.180 226 H GLN 30 HN GLN 30 -10.224 -13.315 5.502 227 HA GLN 30 HA GLN 30 -12.453 -15.032 5.808 228 1HB GLN 30 HB2 GLN 30 -12.078 -13.213 4.040 229 2HB GLN 30 HB1 GLN 30 -11.107 -14.404 3.186 230 1HG GLN 30 HG2 GLN 30 -13.011 -14.968 2.183 231 2HG GLN 30 HG1 GLN 30 -13.395 -15.799 3.690 232 1HE2 GLN 30 HE21 GLN 30 -15.090 -14.465 1.644 233 2HE2 GLN 30 HE22 GLN 30 -16.057 -13.339 2.527 234 H HIS 31 HN HIS 31 -9.108 -15.538 4.904 235 HA HIS 31 HA HIS 31 -9.595 -18.421 4.971 236 1HB HIS 31 HB2 HIS 31 -8.223 -18.821 2.982 237 2HB HIS 31 HB1 HIS 31 -9.634 -17.845 2.592 238 HD1 HIS 31 HD1 HIS 31 -9.000 -15.110 2.706 239 HD2 HIS 31 HD2 HIS 31 -5.977 -17.826 1.862 240 HE1 HIS 31 HE1 HIS 31 -7.206 -13.785 1.558 241 HE2 HIS 31 HE2 HIS 31 -5.303 -15.407 1.267 242 HA PRO 32 HA PRO 32 -5.892 -17.356 7.449 243 1HB PRO 32 HB2 PRO 32 -6.400 -19.030 9.492 244 2HB PRO 32 HB1 PRO 32 -7.203 -17.460 9.350 245 1HG PRO 32 HG2 PRO 32 -8.225 -20.182 8.639 246 2HG PRO 32 HG1 PRO 32 -9.060 -18.854 9.464 247 1HD PRO 32 HD2 PRO 32 -9.366 -19.422 6.804 248 2HD PRO 32 HD1 PRO 32 -9.584 -17.803 7.495 249 H ARG 33 HN ARG 33 -5.389 -18.758 5.261 250 HA ARG 33 HA ARG 33 -3.562 -20.768 6.149 251 1HB ARG 33 HB2 ARG 33 -6.167 -21.556 4.974 252 2HB ARG 33 HB1 ARG 33 -4.750 -22.391 4.353 253 1HG ARG 33 HG2 ARG 33 -4.695 -23.700 6.134 254 2HG ARG 33 HG1 ARG 33 -4.600 -22.298 7.203 255 1HD ARG 33 HD2 ARG 33 -6.892 -22.223 7.516 256 2HD ARG 33 HD1 ARG 33 -7.228 -23.104 6.028 257 HE ARG 33 HE ARG 33 -5.937 -24.934 7.533 258 1HH1 ARG 33 HH11 ARG 33 -8.670 -22.855 8.157 259 2HH1 ARG 33 HH12 ARG 33 -9.414 -23.959 9.266 260 1HH2 ARG 33 HH21 ARG 33 -6.914 -26.385 8.990 261 2HH2 ARG 33 HH22 ARG 33 -8.417 -25.961 9.741 262 H CYS 1 HN CYS 1 -15.128 -26.026 0.847 263 HA CYS 1 HA CYS 1 -16.010 -25.130 -1.743 264 1HB CYS 1 HB2 CYS 1 -18.161 -25.650 -0.645 265 2HB CYS 1 HB1 CYS 1 -17.741 -24.560 0.673 266 HG CYS 1 HG CYS 1 -18.703 -23.717 -2.119 267 H GLY 2 HN GLY 2 -14.113 -23.964 -1.848 268 1HA GLY 2 HA2 GLY 2 -13.627 -21.518 -1.577 269 2HA GLY 2 HA1 GLY 2 -13.824 -21.801 0.145 270 H GLY 3 HN GLY 3 -11.817 -22.516 -2.662 271 1HA GLY 3 HA2 GLY 3 -9.738 -23.710 -1.036 272 2HA GLY 3 HA1 GLY 3 -9.679 -23.433 -2.770 273 H ASP 4 HN ASP 4 -7.836 -22.334 -3.068 274 HA ASP 4 HA ASP 4 -7.144 -20.149 -1.259 275 1HB ASP 4 HB2 ASP 4 -5.614 -21.373 -3.556 276 2HB ASP 4 HB1 ASP 4 -5.003 -20.116 -2.484 277 H ASN 5 HN ASN 5 -9.262 -20.204 -3.530 278 HA ASN 5 HA ASN 5 -8.560 -18.496 -5.593 279 1HB ASN 5 HB2 ASN 5 -11.110 -19.200 -4.232 280 2HB ASN 5 HB1 ASN 5 -11.115 -17.753 -5.237 281 1HD2 ASN 5 HD21 ASN 5 -9.570 -18.350 -7.313 282 2HD2 ASN 5 HD22 ASN 5 -10.189 -19.704 -8.191 283 H ILE 6 HN ILE 6 -9.229 -17.850 -2.258 284 HA ILE 6 HA ILE 6 -9.468 -15.001 -2.548 285 HB ILE 6 HB ILE 6 -8.878 -16.528 -0.020 286 1HG1 ILE 6 HG12 ILE 6 -11.654 -15.859 -0.271 287 2HG1 ILE 6 HG11 ILE 6 -11.165 -16.778 -1.690 288 1HG2 ILE 6 HG21 ILE 6 -10.340 -13.931 -0.444 289 2HG2 ILE 6 HG22 ILE 6 -8.640 -14.063 0.001 290 3HG2 ILE 6 HG23 ILE 6 -9.888 -14.660 1.096 291 1HD1 ILE 6 HD11 ILE 6 -11.933 -18.351 -0.131 292 2HD1 ILE 6 HD12 ILE 6 -11.038 -17.600 1.190 293 3HD1 ILE 6 HD13 ILE 6 -10.173 -18.460 -0.085 294 H GLU 7 HN GLU 7 -7.014 -17.278 -1.421 295 HA GLU 7 HA GLU 7 -5.045 -15.492 -0.621 296 1HB GLU 7 HB2 GLU 7 -5.235 -18.195 -0.725 297 2HB GLU 7 HB1 GLU 7 -4.097 -17.907 -2.034 298 1HG GLU 7 HG2 GLU 7 -2.726 -16.568 -0.425 299 2HG GLU 7 HG1 GLU 7 -3.804 -17.126 0.852 300 H GLN 8 HN GLN 8 -6.127 -16.327 -3.793 301 HA GLN 8 HA GLN 8 -3.787 -15.349 -5.154 302 1HB GLN 8 HB2 GLN 8 -5.693 -17.064 -5.912 303 2HB GLN 8 HB1 GLN 8 -6.402 -15.590 -6.558 304 1HG GLN 8 HG2 GLN 8 -5.084 -15.716 -8.323 305 2HG GLN 8 HG1 GLN 8 -3.664 -15.622 -7.283 306 1HE2 GLN 8 HE21 GLN 8 -6.048 -17.885 -8.577 307 2HE2 GLN 8 HE22 GLN 8 -4.983 -19.244 -8.650 308 H LYS 9 HN LYS 9 -7.012 -14.179 -4.373 309 HA LYS 9 HA LYS 9 -6.931 -11.780 -5.827 310 1HB LYS 9 HB2 LYS 9 -8.864 -13.004 -4.477 311 2HB LYS 9 HB1 LYS 9 -8.369 -11.879 -3.218 312 1HG LYS 9 HG2 LYS 9 -8.955 -10.011 -4.497 313 2HG LYS 9 HG1 LYS 9 -9.022 -10.947 -5.992 314 1HD LYS 9 HD2 LYS 9 -11.076 -11.860 -5.485 315 2HD LYS 9 HD1 LYS 9 -10.856 -11.655 -3.747 316 1HE LYS 9 HE2 LYS 9 -12.550 -10.127 -4.760 317 2HE LYS 9 HE1 LYS 9 -11.247 -9.305 -3.903 318 1HZ LYS 9 HZ1 LYS 9 -12.031 -8.606 -6.324 319 2HZ LYS 9 HZ2 LYS 9 -10.863 -9.749 -6.757 320 3HZ LYS 9 HZ3 LYS 9 -10.433 -8.422 -5.800 321 H ILE 10 HN ILE 10 -5.780 -12.620 -2.608 322 HA ILE 10 HA ILE 10 -5.179 -9.951 -1.820 323 HB ILE 10 HB ILE 10 -3.682 -11.044 -0.121 324 1HG1 ILE 10 HG12 ILE 10 -4.932 -13.594 -1.154 325 2HG1 ILE 10 HG11 ILE 10 -3.262 -13.114 -1.446 326 1HG2 ILE 10 HG21 ILE 10 -5.445 -11.365 1.289 327 2HG2 ILE 10 HG22 ILE 10 -6.365 -12.294 0.105 328 3HG2 ILE 10 HG23 ILE 10 -6.267 -10.539 -0.034 329 1HD1 ILE 10 HD11 ILE 10 -4.474 -13.581 1.266 330 2HD1 ILE 10 HD12 ILE 10 -2.786 -13.210 0.914 331 3HD1 ILE 10 HD13 ILE 10 -3.485 -14.737 0.376 332 H ASP 11 HN ASP 11 -3.246 -12.575 -3.239 333 HA ASP 11 HA ASP 11 -0.731 -11.453 -3.129 334 1HB ASP 11 HB2 ASP 11 -2.072 -13.233 -5.144 335 2HB ASP 11 HB1 ASP 11 -0.440 -12.641 -5.444 336 H ASP 12 HN ASP 12 -3.413 -10.721 -5.233 337 HA ASP 12 HA ASP 12 -2.006 -9.040 -7.045 338 1HB ASP 12 HB2 ASP 12 -4.845 -9.634 -6.426 339 2HB ASP 12 HB1 ASP 12 -4.530 -8.066 -7.161 340 H ILE 13 HN ILE 13 -3.897 -8.469 -4.119 341 HA ILE 13 HA ILE 13 -3.680 -5.669 -4.065 342 HB ILE 13 HB ILE 13 -3.842 -7.486 -1.661 343 1HG1 ILE 13 HG12 ILE 13 -6.034 -6.442 -3.462 344 2HG1 ILE 13 HG11 ILE 13 -5.591 -8.125 -3.200 345 1HG2 ILE 13 HG21 ILE 13 -5.283 -4.940 -1.657 346 2HG2 ILE 13 HG22 ILE 13 -3.530 -4.775 -1.759 347 3HG2 ILE 13 HG23 ILE 13 -4.254 -5.665 -0.421 348 1HD1 ILE 13 HD11 ILE 13 -6.796 -6.265 -1.168 349 2HD1 ILE 13 HD12 ILE 13 -6.308 -7.932 -0.863 350 3HD1 ILE 13 HD13 ILE 13 -7.612 -7.588 -2.000 351 H ASP 14 HN ASP 14 -1.701 -8.203 -2.539 352 HA ASP 14 HA ASP 14 0.096 -6.676 -1.134 353 1HB ASP 14 HB2 ASP 14 -0.107 -9.293 -1.555 354 2HB ASP 14 HB1 ASP 14 1.187 -8.964 -2.703 355 H HIS 15 HN HIS 15 -0.093 -7.171 -4.590 356 HA HIS 15 HA HIS 15 2.477 -6.028 -5.157 357 1HB HIS 15 HB2 HIS 15 1.078 -7.654 -6.614 358 2HB HIS 15 HB1 HIS 15 0.214 -6.208 -7.128 359 HD1 HIS 15 HD1 HIS 15 3.586 -5.197 -6.620 360 HD2 HIS 15 HD2 HIS 15 1.577 -7.248 -9.624 361 HE1 HIS 15 HE1 HIS 15 5.054 -5.019 -8.653 362 HE2 HIS 15 HE2 HIS 15 3.860 -6.343 -10.434 363 H GLU 16 HN GLU 16 -0.769 -4.870 -4.734 364 HA GLU 16 HA GLU 16 -0.197 -2.272 -5.866 365 1HB GLU 16 HB2 GLU 16 -2.633 -3.014 -4.260 366 2HB GLU 16 HB1 GLU 16 -2.475 -1.753 -5.476 367 1HG GLU 16 HG2 GLU 16 -2.100 -4.624 -6.216 368 2HG GLU 16 HG1 GLU 16 -3.719 -3.942 -6.056 369 H ILE 17 HN ILE 17 -0.474 -3.757 -2.708 370 HA ILE 17 HA ILE 17 -0.535 -1.414 -1.146 371 HB ILE 17 HB ILE 17 0.680 -4.053 -0.326 372 1HG1 ILE 17 HG12 ILE 17 -2.169 -3.349 0.231 373 2HG1 ILE 17 HG11 ILE 17 -1.757 -3.985 -1.357 374 1HG2 ILE 17 HG21 ILE 17 1.093 -2.842 1.515 375 2HG2 ILE 17 HG22 ILE 17 -0.631 -3.036 1.833 376 3HG2 ILE 17 HG23 ILE 17 -0.038 -1.570 1.052 377 1HD1 ILE 17 HD11 ILE 17 -0.562 -5.578 0.713 378 2HD1 ILE 17 HD12 ILE 17 -1.682 -6.047 -0.566 379 3HD1 ILE 17 HD13 ILE 17 -2.302 -5.423 0.962 380 H ALA 18 HN ALA 18 2.063 -3.265 -2.585 381 HA ALA 18 HA ALA 18 4.155 -1.855 -1.195 382 1HB ALA 18 HB1 ALA 18 5.005 -3.881 -1.703 383 2HB ALA 18 HB2 ALA 18 5.446 -3.088 -3.216 384 3HB ALA 18 HB3 ALA 18 3.985 -4.071 -3.130 385 H ASP 19 HN ASP 19 2.612 -1.715 -4.358 386 HA ASP 19 HA ASP 19 4.378 -0.070 -5.716 387 1HB ASP 19 HB2 ASP 19 2.184 -1.198 -6.517 388 2HB ASP 19 HB1 ASP 19 1.404 0.285 -5.974 389 H LEU 20 HN LEU 20 1.759 0.817 -3.504 390 HA LEU 20 HA LEU 20 2.096 3.622 -3.801 391 1HB LEU 20 HB2 LEU 20 0.945 2.284 -1.374 392 2HB LEU 20 HB1 LEU 20 0.557 3.862 -2.033 393 HG LEU 20 HG LEU 20 -0.269 1.164 -3.067 394 1HD1 LEU 20 HD11 LEU 20 -1.773 1.941 -1.452 395 2HD1 LEU 20 HD12 LEU 20 -2.513 2.371 -2.993 396 3HD1 LEU 20 HD13 LEU 20 -1.684 3.601 -2.039 397 1HD2 LEU 20 HD21 LEU 20 -0.664 3.792 -4.488 398 2HD2 LEU 20 HD22 LEU 20 -1.174 2.193 -5.030 399 3HD2 LEU 20 HD23 LEU 20 0.542 2.589 -4.944 400 H GLN 21 HN GLN 21 3.092 1.343 -1.254 401 HA GLN 21 HA GLN 21 4.376 3.105 0.440 402 1HB GLN 21 HB2 GLN 21 3.994 0.461 0.488 403 2HB GLN 21 HB1 GLN 21 5.677 0.470 -0.021 404 1HG GLN 21 HG2 GLN 21 6.093 2.010 1.966 405 2HG GLN 21 HG1 GLN 21 4.486 1.532 2.515 406 1HE2 GLN 21 HE21 GLN 21 7.708 0.388 1.757 407 2HE2 GLN 21 HE22 GLN 21 7.619 -1.065 2.689 408 H ALA 22 HN ALA 22 5.492 1.748 -2.588 409 HA ALA 22 HA ALA 22 8.213 2.578 -2.293 410 1HB ALA 22 HB1 ALA 22 8.411 2.020 -4.679 411 2HB ALA 22 HB2 ALA 22 6.663 1.802 -4.762 412 3HB ALA 22 HB3 ALA 22 7.640 0.730 -3.757 413 H LYS 23 HN LYS 23 5.294 4.016 -3.569 414 HA LYS 23 HA LYS 23 6.576 6.154 -4.950 415 1HB LYS 23 HB2 LYS 23 3.865 5.261 -4.445 416 2HB LYS 23 HB1 LYS 23 3.997 7.006 -4.284 417 1HG LYS 23 HG2 LYS 23 3.749 7.090 -6.489 418 2HG LYS 23 HG1 LYS 23 5.401 6.480 -6.594 419 1HD LYS 23 HD2 LYS 23 4.482 4.812 -7.786 420 2HD LYS 23 HD1 LYS 23 3.994 4.179 -6.212 421 1HE LYS 23 HE2 LYS 23 1.909 5.686 -6.534 422 2HE LYS 23 HE1 LYS 23 2.375 5.680 -8.234 423 1HZ LYS 23 HZ1 LYS 23 1.095 3.847 -8.256 424 2HZ LYS 23 HZ2 LYS 23 1.283 3.539 -6.603 425 3HZ LYS 23 HZ3 LYS 23 2.496 3.086 -7.691 426 H ARG 24 HN ARG 24 5.297 5.720 -1.703 427 HA ARG 24 HA ARG 24 5.461 8.438 -0.915 428 1HB ARG 24 HB2 ARG 24 4.073 6.858 0.304 429 2HB ARG 24 HB1 ARG 24 5.485 5.902 0.731 430 1HG ARG 24 HG2 ARG 24 6.020 7.233 2.446 431 2HG ARG 24 HG1 ARG 24 5.660 8.705 1.543 432 1HD ARG 24 HD2 ARG 24 3.172 7.796 1.863 433 2HD ARG 24 HD1 ARG 24 3.913 7.058 3.282 434 HE ARG 24 HE ARG 24 3.246 9.791 2.949 435 1HH1 ARG 24 HH11 ARG 24 5.664 7.705 4.355 436 2HH1 ARG 24 HH12 ARG 24 6.113 8.844 5.581 437 1HH2 ARG 24 HH21 ARG 24 3.835 11.290 4.558 438 2HH2 ARG 24 HH22 ARG 24 5.074 10.879 5.697 439 H THR 25 HN THR 25 7.682 5.694 -0.584 440 HA THR 25 HA THR 25 9.640 7.019 0.941 441 HB THR 25 HB THR 25 10.538 4.959 -0.984 442 HG1 THR 25 HG1 THR 25 8.549 4.490 0.971 443 1HG2 THR 25 HG21 THR 25 10.870 5.457 1.946 444 2HG2 THR 25 HG22 THR 25 12.097 5.388 0.681 445 3HG2 THR 25 HG23 THR 25 11.297 3.910 1.216 446 H ARG 26 HN ARG 26 9.551 6.358 -2.568 447 HA ARG 26 HA ARG 26 11.877 7.612 -3.319 448 1HB ARG 26 HB2 ARG 26 10.810 7.979 -5.523 449 2HB ARG 26 HB1 ARG 26 10.547 6.355 -4.904 450 1HG ARG 26 HG2 ARG 26 8.298 6.944 -4.227 451 2HG ARG 26 HG1 ARG 26 8.554 8.607 -4.760 452 1HD ARG 26 HD2 ARG 26 8.560 6.139 -6.492 453 2HD ARG 26 HD1 ARG 26 7.308 7.379 -6.435 454 HE ARG 26 HE ARG 26 9.518 8.783 -7.089 455 1HH1 ARG 26 HH11 ARG 26 8.064 5.898 -8.410 456 2HH1 ARG 26 HH12 ARG 26 8.630 6.198 -10.019 457 1HH2 ARG 26 HH21 ARG 26 10.263 9.180 -9.205 458 2HH2 ARG 26 HH22 ARG 26 9.879 8.062 -10.470 459 H LEU 27 HN LEU 27 8.691 9.057 -2.810 460 HA LEU 27 HA LEU 27 9.375 11.679 -3.573 461 1HB LEU 27 HB2 LEU 27 7.182 10.390 -2.078 462 2HB LEU 27 HB1 LEU 27 7.458 12.077 -1.688 463 HG LEU 27 HG LEU 27 7.439 12.248 -4.373 464 1HD1 LEU 27 HD11 LEU 27 5.643 10.838 -5.249 465 2HD1 LEU 27 HD12 LEU 27 5.561 9.986 -3.707 466 3HD1 LEU 27 HD13 LEU 27 7.014 9.875 -4.699 467 1HD2 LEU 27 HD21 LEU 27 4.892 12.676 -4.036 468 2HD2 LEU 27 HD22 LEU 27 6.071 13.706 -3.225 469 3HD2 LEU 27 HD23 LEU 27 5.265 12.416 -2.332 470 H VAL 28 HN VAL 28 9.647 9.924 -0.530 471 HA VAL 28 HA VAL 28 10.371 12.126 1.089 472 HB VAL 28 HB VAL 28 11.249 9.266 1.461 473 1HG1 VAL 28 HG11 VAL 28 11.793 9.789 3.618 474 2HG1 VAL 28 HG12 VAL 28 10.640 11.121 3.702 475 3HG1 VAL 28 HG13 VAL 28 12.162 11.325 2.834 476 1HG2 VAL 28 HG21 VAL 28 9.002 9.971 3.083 477 2HG2 VAL 28 HG22 VAL 28 9.151 8.675 1.899 478 3HG2 VAL 28 HG23 VAL 28 8.616 10.275 1.389 479 H GLN 29 HN GLN 29 12.259 9.778 -0.763 480 HA GLN 29 HA GLN 29 14.823 10.532 -0.033 481 1HB GLN 29 HB2 GLN 29 13.674 9.438 -2.586 482 2HB GLN 29 HB1 GLN 29 15.379 9.857 -2.485 483 1HG GLN 29 HG2 GLN 29 13.925 7.865 -0.760 484 2HG GLN 29 HG1 GLN 29 15.052 7.499 -2.066 485 1HE2 GLN 29 HE21 GLN 29 14.881 7.286 1.058 486 2HE2 GLN 29 HE22 GLN 29 16.483 7.719 1.540 487 H GLN 30 HN GLN 30 12.496 12.125 -2.049 488 HA GLN 30 HA GLN 30 14.335 13.969 -3.249 489 1HB GLN 30 HB2 GLN 30 11.825 13.188 -3.878 490 2HB GLN 30 HB1 GLN 30 11.472 14.696 -3.046 491 1HG GLN 30 HG2 GLN 30 12.287 15.955 -4.710 492 2HG GLN 30 HG1 GLN 30 13.634 14.860 -5.019 493 1HE2 GLN 30 HE21 GLN 30 10.109 15.036 -5.367 494 2HE2 GLN 30 HE22 GLN 30 10.047 14.237 -6.897 495 H HIS 31 HN HIS 31 12.334 13.876 -0.372 496 HA HIS 31 HA HIS 31 13.609 16.368 0.501 497 1HB HIS 31 HB2 HIS 31 11.545 17.258 1.399 498 2HB HIS 31 HB1 HIS 31 11.343 16.939 -0.319 499 HD1 HIS 31 HD1 HIS 31 10.221 14.419 -0.749 500 HD2 HIS 31 HD2 HIS 31 9.478 16.320 2.863 501 HE1 HIS 31 HE1 HIS 31 8.139 13.352 0.157 502 HE2 HIS 31 HE2 HIS 31 7.865 14.348 2.453 503 HA PRO 32 HA PRO 32 13.595 12.973 3.727 504 1HB PRO 32 HB2 PRO 32 16.247 12.549 3.880 505 2HB PRO 32 HB1 PRO 32 15.243 11.751 2.664 506 1HG PRO 32 HG2 PRO 32 17.009 14.151 2.384 507 2HG PRO 32 HG1 PRO 32 16.808 12.775 1.284 508 1HD PRO 32 HD2 PRO 32 15.585 15.195 0.922 509 2HD PRO 32 HD1 PRO 32 14.921 13.660 0.328 510 H ARG 33 HN ARG 33 15.586 15.831 3.251 511 HA ARG 33 HA ARG 33 14.989 16.894 5.792 512 1HB ARG 33 HB2 ARG 33 17.273 16.809 6.776 513 2HB ARG 33 HB1 ARG 33 16.499 15.234 6.668 514 1HG ARG 33 HG2 ARG 33 18.024 15.751 4.291 515 2HG ARG 33 HG1 ARG 33 19.027 15.968 5.726 516 1HD ARG 33 HD2 ARG 33 17.704 13.682 6.351 517 2HD ARG 33 HD1 ARG 33 17.831 13.530 4.598 518 HE ARG 33 HE ARG 33 19.968 13.363 6.516 519 1HH1 ARG 33 HH11 ARG 33 19.150 14.021 3.188 520 2HH1 ARG 33 HH12 ARG 33 20.729 13.631 2.592 521 1HH2 ARG 33 HH21 ARG 33 22.044 12.849 5.734 522 2HH2 ARG 33 HH22 ARG 33 22.372 12.966 4.038 Start of MODEL 10 1 H CYS 1 HT1 CYS 1 13.028 21.230 -0.082 2 HA CYS 1 HA CYS 1 14.560 22.608 -1.445 3 1HB CYS 1 HB2 CYS 1 14.783 20.955 -3.261 4 2HB CYS 1 HB1 CYS 1 13.073 21.139 -3.637 5 HG CYS 1 HG CYS 1 13.654 23.027 -5.066 6 H GLY 2 HN GLY 2 11.296 21.662 -2.557 7 1HA GLY 2 HA2 GLY 2 10.453 24.453 -2.336 8 2HA GLY 2 HA1 GLY 2 9.553 23.154 -3.106 9 H GLY 3 HN GLY 3 10.956 23.324 0.154 10 1HA GLY 3 HA2 GLY 3 9.962 23.257 2.228 11 2HA GLY 3 HA1 GLY 3 8.482 23.816 1.463 12 H ASP 4 HN ASP 4 7.108 22.461 2.571 13 HA ASP 4 HA ASP 4 7.571 19.581 2.429 14 1HB ASP 4 HB2 ASP 4 5.443 21.176 3.857 15 2HB ASP 4 HB1 ASP 4 5.629 19.427 3.949 16 H ASN 5 HN ASN 5 6.559 21.529 0.219 17 HA ASN 5 HA ASN 5 3.945 20.974 -0.485 18 1HB ASN 5 HB2 ASN 5 6.395 21.751 -1.970 19 2HB ASN 5 HB1 ASN 5 5.076 21.086 -2.928 20 1HD2 ASN 5 HD21 ASN 5 2.855 22.032 -1.980 21 2HD2 ASN 5 HD22 ASN 5 2.825 23.758 -1.944 22 H ILE 6 HN ILE 6 6.793 19.009 -0.705 23 HA ILE 6 HA ILE 6 5.602 16.990 -2.378 24 HB ILE 6 HB ILE 6 8.091 16.763 -0.689 25 1HG1 ILE 6 HG12 ILE 6 8.375 17.314 -3.573 26 2HG1 ILE 6 HG11 ILE 6 7.737 18.656 -2.628 27 1HG2 ILE 6 HG21 ILE 6 7.302 15.322 -3.213 28 2HG2 ILE 6 HG22 ILE 6 7.124 14.672 -1.585 29 3HG2 ILE 6 HG23 ILE 6 8.730 15.025 -2.223 30 1HD1 ILE 6 HD11 ILE 6 9.713 18.308 -1.081 31 2HD1 ILE 6 HD12 ILE 6 10.057 18.960 -2.683 32 3HD1 ILE 6 HD13 ILE 6 10.373 17.259 -2.336 33 H GLU 7 HN GLU 7 6.407 17.393 1.036 34 HA GLU 7 HA GLU 7 5.690 14.877 1.979 35 1HB GLU 7 HB2 GLU 7 6.840 16.726 3.263 36 2HB GLU 7 HB1 GLU 7 5.259 17.465 3.470 37 1HG GLU 7 HG2 GLU 7 5.112 16.282 5.342 38 2HG GLU 7 HG1 GLU 7 4.843 14.882 4.306 39 H GLN 8 HN GLN 8 3.721 17.520 0.930 40 HA GLN 8 HA GLN 8 1.309 16.639 2.198 41 1HB GLN 8 HB2 GLN 8 1.922 19.009 1.333 42 2HB GLN 8 HB1 GLN 8 1.409 18.402 -0.235 43 1HG GLN 8 HG2 GLN 8 -0.643 19.021 0.317 44 2HG GLN 8 HG1 GLN 8 -0.651 17.680 1.461 45 1HE2 GLN 8 HE21 GLN 8 -1.360 20.809 1.199 46 2HE2 GLN 8 HE22 GLN 8 -1.071 21.342 2.817 47 H LYS 9 HN LYS 9 2.689 16.420 -1.046 48 HA LYS 9 HA LYS 9 0.562 15.103 -2.294 49 1HB LYS 9 HB2 LYS 9 3.501 15.286 -2.837 50 2HB LYS 9 HB1 LYS 9 2.505 14.192 -3.789 51 1HG LYS 9 HG2 LYS 9 1.151 16.008 -4.571 52 2HG LYS 9 HG1 LYS 9 1.969 17.138 -3.490 53 1HD LYS 9 HD2 LYS 9 3.057 17.553 -5.476 54 2HD LYS 9 HD1 LYS 9 4.113 16.337 -4.757 55 1HE LYS 9 HE2 LYS 9 2.845 14.604 -6.048 56 2HE LYS 9 HE1 LYS 9 2.010 15.919 -6.875 57 1HZ LYS 9 HZ1 LYS 9 4.739 14.970 -7.182 58 2HZ LYS 9 HZ2 LYS 9 4.538 16.648 -7.231 59 3HZ LYS 9 HZ3 LYS 9 3.698 15.665 -8.321 60 H ILE 10 HN ILE 10 3.383 13.824 -0.573 61 HA ILE 10 HA ILE 10 2.791 11.102 -1.084 62 HB ILE 10 HB ILE 10 4.245 10.652 0.930 63 1HG1 ILE 10 HG12 ILE 10 4.856 13.602 0.752 64 2HG1 ILE 10 HG11 ILE 10 3.804 12.904 1.978 65 1HG2 ILE 10 HG21 ILE 10 6.320 11.478 -0.266 66 2HG2 ILE 10 HG22 ILE 10 5.227 12.225 -1.431 67 3HG2 ILE 10 HG23 ILE 10 5.216 10.476 -1.208 68 1HD1 ILE 10 HD11 ILE 10 5.890 13.124 3.002 69 2HD1 ILE 10 HD12 ILE 10 6.743 12.493 1.594 70 3HD1 ILE 10 HD13 ILE 10 5.763 11.414 2.588 71 H ASP 11 HN ASP 11 2.009 13.265 1.620 72 HA ASP 11 HA ASP 11 0.936 11.499 3.425 73 1HB ASP 11 HB2 ASP 11 0.373 14.332 2.719 74 2HB ASP 11 HB1 ASP 11 -0.831 13.507 3.707 75 H ASP 12 HN ASP 12 -0.422 12.692 0.438 76 HA ASP 12 HA ASP 12 -3.038 11.635 0.781 77 1HB ASP 12 HB2 ASP 12 -1.448 12.740 -1.475 78 2HB ASP 12 HB1 ASP 12 -2.797 11.692 -1.901 79 H ILE 13 HN ILE 13 -0.125 10.472 -0.861 80 HA ILE 13 HA ILE 13 -1.165 8.034 -1.780 81 HB ILE 13 HB ILE 13 1.692 8.526 -0.931 82 1HG1 ILE 13 HG12 ILE 13 0.324 9.135 -3.562 83 2HG1 ILE 13 HG11 ILE 13 0.994 10.310 -2.435 84 1HG2 ILE 13 HG21 ILE 13 0.485 6.216 -1.792 85 2HG2 ILE 13 HG22 ILE 13 2.210 6.570 -1.878 86 3HG2 ILE 13 HG23 ILE 13 1.177 6.872 -3.275 87 1HD1 ILE 13 HD11 ILE 13 3.021 10.112 -3.306 88 2HD1 ILE 13 HD12 ILE 13 2.265 9.207 -4.618 89 3HD1 ILE 13 HD13 ILE 13 2.961 8.350 -3.242 90 H ASP 14 HN ASP 14 0.551 8.854 1.223 91 HA ASP 14 HA ASP 14 0.786 6.388 2.394 92 1HB ASP 14 HB2 ASP 14 1.228 8.942 3.218 93 2HB ASP 14 HB1 ASP 14 -0.149 8.505 4.225 94 H HIS 15 HN HIS 15 -2.091 8.350 2.035 95 HA HIS 15 HA HIS 15 -3.704 6.775 3.806 96 1HB HIS 15 HB2 HIS 15 -4.035 9.240 2.983 97 2HB HIS 15 HB1 HIS 15 -4.843 8.478 1.617 98 HD1 HIS 15 HD1 HIS 15 -5.829 6.206 3.938 99 HD2 HIS 15 HD2 HIS 15 -6.705 10.248 3.542 100 HE1 HIS 15 HE1 HIS 15 -7.982 6.553 5.191 101 HE2 HIS 15 HE2 HIS 15 -8.445 9.023 5.013 102 H GLU 16 HN GLU 16 -2.847 6.707 0.438 103 HA GLU 16 HA GLU 16 -4.917 4.810 -0.248 104 1HB GLU 16 HB2 GLU 16 -2.556 5.543 -1.963 105 2HB GLU 16 HB1 GLU 16 -4.138 4.969 -2.474 106 1HG GLU 16 HG2 GLU 16 -5.155 7.035 -2.009 107 2HG GLU 16 HG1 GLU 16 -3.770 7.594 -1.071 108 H ILE 17 HN ILE 17 -1.509 4.802 0.518 109 HA ILE 17 HA ILE 17 -0.891 2.188 -0.339 110 HB ILE 17 HB ILE 17 0.407 3.670 1.950 111 1HG1 ILE 17 HG12 ILE 17 1.462 3.749 -0.844 112 2HG1 ILE 17 HG11 ILE 17 0.149 4.835 -0.409 113 1HG2 ILE 17 HG21 ILE 17 1.499 1.711 2.067 114 2HG2 ILE 17 HG22 ILE 17 2.368 2.313 0.655 115 3HG2 ILE 17 HG23 ILE 17 1.000 1.219 0.449 116 1HD1 ILE 17 HD11 ILE 17 1.651 6.237 0.399 117 2HD1 ILE 17 HD12 ILE 17 2.944 5.073 0.110 118 3HD1 ILE 17 HD13 ILE 17 2.057 5.047 1.635 119 H ALA 18 HN ALA 18 -2.294 3.492 2.587 120 HA ALA 18 HA ALA 18 -2.090 1.035 4.073 121 1HB ALA 18 HB1 ALA 18 -3.874 2.495 5.478 122 2HB ALA 18 HB2 ALA 18 -3.048 3.771 4.580 123 3HB ALA 18 HB3 ALA 18 -2.124 2.678 5.612 124 H ASP 19 HN ASP 19 -4.580 2.731 2.235 125 HA ASP 19 HA ASP 19 -6.826 1.294 2.983 126 1HB ASP 19 HB2 ASP 19 -6.013 2.816 0.571 127 2HB ASP 19 HB1 ASP 19 -7.372 1.713 0.378 128 H LEU 20 HN LEU 20 -4.433 0.524 0.485 129 HA LEU 20 HA LEU 20 -5.704 -1.856 -0.386 130 1HB LEU 20 HB2 LEU 20 -2.759 -1.339 -0.603 131 2HB LEU 20 HB1 LEU 20 -3.788 -2.252 -1.688 132 HG LEU 20 HG LEU 20 -3.562 0.730 -1.408 133 1HD1 LEU 20 HD11 LEU 20 -3.405 0.382 -3.966 134 2HD1 LEU 20 HD12 LEU 20 -3.057 -1.295 -3.545 135 3HD1 LEU 20 HD13 LEU 20 -2.013 -0.002 -2.955 136 1HD2 LEU 20 HD21 LEU 20 -5.669 -0.728 -2.993 137 2HD2 LEU 20 HD22 LEU 20 -5.454 1.017 -2.848 138 3HD2 LEU 20 HD23 LEU 20 -5.963 0.072 -1.449 139 H GLN 21 HN GLN 21 -2.929 -1.277 1.763 140 HA GLN 21 HA GLN 21 -2.265 -3.872 2.389 141 1HB GLN 21 HB2 GLN 21 -1.379 -1.474 3.213 142 2HB GLN 21 HB1 GLN 21 -2.276 -1.950 4.648 143 1HG GLN 21 HG2 GLN 21 -0.903 -3.766 5.064 144 2HG GLN 21 HG1 GLN 21 -0.312 -3.825 3.403 145 1HE2 GLN 21 HE21 GLN 21 1.601 -2.966 3.006 146 2HE2 GLN 21 HE22 GLN 21 2.457 -1.878 4.041 147 H ALA 22 HN ALA 22 -4.891 -1.921 3.673 148 HA ALA 22 HA ALA 22 -5.639 -3.700 5.753 149 1HB ALA 22 HB1 ALA 22 -7.580 -1.861 4.407 150 2HB ALA 22 HB2 ALA 22 -6.274 -1.218 5.402 151 3HB ALA 22 HB3 ALA 22 -7.465 -2.311 6.108 152 H LYS 23 HN LYS 23 -6.530 -3.395 2.370 153 HA LYS 23 HA LYS 23 -8.720 -5.168 2.388 154 1HB LYS 23 HB2 LYS 23 -6.933 -4.004 0.320 155 2HB LYS 23 HB1 LYS 23 -7.850 -5.435 -0.131 156 1HG LYS 23 HG2 LYS 23 -9.452 -3.983 -0.686 157 2HG LYS 23 HG1 LYS 23 -9.769 -3.906 1.048 158 1HD LYS 23 HD2 LYS 23 -8.882 -1.834 1.252 159 2HD LYS 23 HD1 LYS 23 -7.634 -2.135 0.041 160 1HE LYS 23 HE2 LYS 23 -8.871 -0.721 -1.204 161 2HE LYS 23 HE1 LYS 23 -9.832 -2.166 -1.518 162 1HZ LYS 23 HZ1 LYS 23 -11.400 -0.620 -0.876 163 2HZ LYS 23 HZ2 LYS 23 -10.408 0.076 0.305 164 3HZ LYS 23 HZ3 LYS 23 -11.108 -1.440 0.576 165 H ARG 24 HN ARG 24 -5.262 -5.673 2.143 166 HA ARG 24 HA ARG 24 -5.435 -8.415 1.345 167 1HB ARG 24 HB2 ARG 24 -3.339 -6.478 1.929 168 2HB ARG 24 HB1 ARG 24 -2.950 -8.081 2.540 169 1HG ARG 24 HG2 ARG 24 -3.711 -8.819 0.132 170 2HG ARG 24 HG1 ARG 24 -3.300 -7.147 -0.254 171 1HD ARG 24 HD2 ARG 24 -1.144 -7.661 -0.293 172 2HD ARG 24 HD1 ARG 24 -1.234 -8.235 1.371 173 HE ARG 24 HE ARG 24 -2.099 -10.070 -0.717 174 1HH1 ARG 24 HH11 ARG 24 0.424 -9.090 1.494 175 2HH1 ARG 24 HH12 ARG 24 1.242 -10.613 1.424 176 1HH2 ARG 24 HH21 ARG 24 -1.017 -12.068 -0.807 177 2HH2 ARG 24 HH22 ARG 24 0.428 -12.302 0.119 178 H THR 25 HN THR 25 -4.786 -6.769 4.429 179 HA THR 25 HA THR 25 -4.365 -9.042 5.995 180 HB THR 25 HB THR 25 -5.768 -6.750 7.238 181 HG1 THR 25 HG1 THR 25 -3.989 -5.406 6.982 182 1HG2 THR 25 HG21 THR 25 -3.747 -6.852 8.734 183 2HG2 THR 25 HG22 THR 25 -3.291 -8.317 7.864 184 3HG2 THR 25 HG23 THR 25 -4.809 -8.260 8.761 185 H ARG 26 HN ARG 26 -7.353 -7.143 5.590 186 HA ARG 26 HA ARG 26 -9.041 -8.655 7.163 187 1HB ARG 26 HB2 ARG 26 -10.867 -7.876 5.578 188 2HB ARG 26 HB1 ARG 26 -9.875 -6.616 6.299 189 1HG ARG 26 HG2 ARG 26 -9.661 -5.835 4.228 190 2HG ARG 26 HG1 ARG 26 -8.528 -7.165 3.982 191 1HD ARG 26 HD2 ARG 26 -10.263 -7.011 2.219 192 2HD ARG 26 HD1 ARG 26 -10.273 -8.552 3.077 193 HE ARG 26 HE ARG 26 -12.372 -8.069 3.846 194 1HH1 ARG 26 HH11 ARG 26 -10.921 -5.139 2.625 195 2HH1 ARG 26 HH12 ARG 26 -12.376 -4.211 2.766 196 1HH2 ARG 26 HH21 ARG 26 -14.288 -6.850 4.032 197 2HH2 ARG 26 HH22 ARG 26 -14.287 -5.183 3.564 198 H LEU 27 HN LEU 27 -8.223 -9.116 3.748 199 HA LEU 27 HA LEU 27 -9.876 -11.342 3.296 200 1HB LEU 27 HB2 LEU 27 -7.544 -10.109 1.960 201 2HB LEU 27 HB1 LEU 27 -7.823 -11.802 1.599 202 HG LEU 27 HG LEU 27 -10.286 -10.301 1.400 203 1HD1 LEU 27 HD11 LEU 27 -9.400 -8.374 0.634 204 2HD1 LEU 27 HD12 LEU 27 -9.279 -9.286 -0.870 205 3HD1 LEU 27 HD13 LEU 27 -7.872 -9.128 0.181 206 1HD2 LEU 27 HD21 LEU 27 -10.403 -12.249 0.253 207 2HD2 LEU 27 HD22 LEU 27 -8.690 -12.236 -0.164 208 3HD2 LEU 27 HD23 LEU 27 -9.824 -11.228 -1.064 209 H VAL 28 HN VAL 28 -6.643 -11.017 4.645 210 HA VAL 28 HA VAL 28 -5.976 -13.769 4.632 211 HB VAL 28 HB VAL 28 -5.031 -11.696 6.606 212 1HG1 VAL 28 HG11 VAL 28 -3.472 -13.165 7.307 213 2HG1 VAL 28 HG12 VAL 28 -3.249 -13.854 5.699 214 3HG1 VAL 28 HG13 VAL 28 -4.613 -14.361 6.693 215 1HG2 VAL 28 HG21 VAL 28 -3.999 -10.657 4.934 216 2HG2 VAL 28 HG22 VAL 28 -4.621 -11.834 3.779 217 3HG2 VAL 28 HG23 VAL 28 -3.092 -12.133 4.606 218 H GLN 29 HN GLN 29 -7.521 -11.666 7.016 219 HA GLN 29 HA GLN 29 -7.727 -13.396 9.161 220 1HB GLN 29 HB2 GLN 29 -9.645 -11.291 8.156 221 2HB GLN 29 HB1 GLN 29 -9.887 -12.150 9.671 222 1HG GLN 29 HG2 GLN 29 -7.306 -10.746 9.157 223 2HG GLN 29 HG1 GLN 29 -8.727 -9.830 9.657 224 1HE2 GLN 29 HE21 GLN 29 -6.272 -12.048 10.606 225 2HE2 GLN 29 HE22 GLN 29 -6.663 -12.099 12.287 226 H GLN 30 HN GLN 30 -9.489 -13.315 6.158 227 HA GLN 30 HA GLN 30 -11.525 -15.165 6.930 228 1HB GLN 30 HB2 GLN 30 -10.688 -13.777 4.471 229 2HB GLN 30 HB1 GLN 30 -11.412 -15.356 4.205 230 1HG GLN 30 HG2 GLN 30 -12.716 -13.253 5.902 231 2HG GLN 30 HG1 GLN 30 -12.963 -13.360 4.159 232 1HE2 GLN 30 HE21 GLN 30 -13.236 -15.923 3.618 233 2HE2 GLN 30 HE22 GLN 30 -14.556 -16.629 4.480 234 H HIS 31 HN HIS 31 -8.327 -15.400 5.497 235 HA HIS 31 HA HIS 31 -8.458 -18.305 5.866 236 1HB HIS 31 HB2 HIS 31 -7.370 -18.748 3.746 237 2HB HIS 31 HB1 HIS 31 -8.857 -17.851 3.468 238 HD1 HIS 31 HD1 HIS 31 -8.315 -15.083 3.369 239 HD2 HIS 31 HD2 HIS 31 -5.334 -17.756 2.277 240 HE1 HIS 31 HE1 HIS 31 -6.726 -13.773 1.935 241 HE2 HIS 31 HE2 HIS 31 -4.823 -15.356 1.482 242 HA PRO 32 HA PRO 32 -4.575 -16.373 7.584 243 1HB PRO 32 HB2 PRO 32 -4.875 -17.179 10.137 244 2HB PRO 32 HB1 PRO 32 -5.634 -15.705 9.523 245 1HG PRO 32 HG2 PRO 32 -6.829 -18.417 9.945 246 2HG PRO 32 HG1 PRO 32 -7.509 -16.823 10.324 247 1HD PRO 32 HD2 PRO 32 -8.179 -18.250 8.097 248 2HD PRO 32 HD1 PRO 32 -8.217 -16.477 8.167 249 H ARG 33 HN ARG 33 -6.070 -19.527 7.913 250 HA ARG 33 HA ARG 33 -3.420 -20.757 7.671 251 1HB ARG 33 HB2 ARG 33 -4.238 -22.555 9.284 252 2HB ARG 33 HB1 ARG 33 -3.793 -21.006 9.986 253 1HG ARG 33 HG2 ARG 33 -6.501 -20.759 9.421 254 2HG ARG 33 HG1 ARG 33 -6.320 -22.400 10.040 255 1HD ARG 33 HD2 ARG 33 -6.782 -20.671 11.786 256 2HD ARG 33 HD1 ARG 33 -5.316 -21.612 12.054 257 HE ARG 33 HE ARG 33 -4.604 -19.311 10.653 258 1HH1 ARG 33 HH11 ARG 33 -5.888 -20.179 13.780 259 2HH1 ARG 33 HH12 ARG 33 -5.192 -18.811 14.583 260 1HH2 ARG 33 HH21 ARG 33 -3.689 -17.513 11.709 261 2HH2 ARG 33 HH22 ARG 33 -3.945 -17.297 13.408 262 H CYS 1 HN CYS 1 -14.545 -21.682 -3.681 263 HA CYS 1 HA CYS 1 -16.756 -22.720 -2.229 264 1HB CYS 1 HB2 CYS 1 -15.935 -24.519 -4.053 265 2HB CYS 1 HB1 CYS 1 -14.821 -24.909 -2.748 266 HG CYS 1 HG CYS 1 -16.722 -26.350 -2.086 267 H GLY 2 HN GLY 2 -13.265 -23.424 -2.534 268 1HA GLY 2 HA2 GLY 2 -12.607 -21.971 -0.169 269 2HA GLY 2 HA1 GLY 2 -12.677 -23.697 0.150 270 H GLY 3 HN GLY 3 -10.363 -23.213 0.705 271 1HA GLY 3 HA2 GLY 3 -8.277 -24.109 -0.015 272 2HA GLY 3 HA1 GLY 3 -8.729 -23.750 -1.675 273 H ASP 4 HN ASP 4 -7.163 -22.431 -2.381 274 HA ASP 4 HA ASP 4 -6.363 -20.167 -0.687 275 1HB ASP 4 HB2 ASP 4 -5.031 -21.339 -3.129 276 2HB ASP 4 HB1 ASP 4 -4.420 -19.980 -2.192 277 H ASN 5 HN ASN 5 -8.747 -20.554 -2.645 278 HA ASN 5 HA ASN 5 -8.512 -18.887 -4.842 279 1HB ASN 5 HB2 ASN 5 -10.515 -20.349 -4.018 280 2HB ASN 5 HB1 ASN 5 -11.020 -18.880 -3.189 281 1HD2 ASN 5 HD21 ASN 5 -9.605 -19.573 -6.370 282 2HD2 ASN 5 HD22 ASN 5 -10.812 -18.736 -7.278 283 H ILE 6 HN ILE 6 -8.776 -18.146 -1.475 284 HA ILE 6 HA ILE 6 -9.339 -15.345 -1.851 285 HB ILE 6 HB ILE 6 -8.357 -16.694 0.658 286 1HG1 ILE 6 HG12 ILE 6 -11.247 -16.273 -0.118 287 2HG1 ILE 6 HG11 ILE 6 -10.401 -17.797 -0.368 288 1HG2 ILE 6 HG21 ILE 6 -8.326 -14.220 0.563 289 2HG2 ILE 6 HG22 ILE 6 -9.402 -14.863 1.804 290 3HG2 ILE 6 HG23 ILE 6 -10.068 -14.243 0.293 291 1HD1 ILE 6 HD11 ILE 6 -10.132 -18.129 1.956 292 2HD1 ILE 6 HD12 ILE 6 -11.811 -17.653 1.698 293 3HD1 ILE 6 HD13 ILE 6 -10.648 -16.482 2.319 294 H GLU 7 HN GLU 7 -6.585 -17.348 -0.915 295 HA GLU 7 HA GLU 7 -4.717 -15.348 -0.414 296 1HB GLU 7 HB2 GLU 7 -4.667 -18.049 -0.318 297 2HB GLU 7 HB1 GLU 7 -3.716 -17.777 -1.771 298 1HG GLU 7 HG2 GLU 7 -2.259 -16.253 -0.466 299 2HG GLU 7 HG1 GLU 7 -3.165 -16.694 0.980 300 H GLN 8 HN GLN 8 -6.047 -16.451 -3.397 301 HA GLN 8 HA GLN 8 -3.937 -15.438 -5.062 302 1HB GLN 8 HB2 GLN 8 -5.538 -17.316 -5.668 303 2HB GLN 8 HB1 GLN 8 -6.767 -16.079 -5.894 304 1HG GLN 8 HG2 GLN 8 -4.304 -15.495 -7.324 305 2HG GLN 8 HG1 GLN 8 -5.038 -17.024 -7.807 306 1HE2 GLN 8 HE21 GLN 8 -5.917 -16.554 -9.720 307 2HE2 GLN 8 HE22 GLN 8 -7.071 -15.300 -10.002 308 H LYS 9 HN LYS 9 -7.163 -14.376 -4.095 309 HA LYS 9 HA LYS 9 -7.290 -12.049 -5.644 310 1HB LYS 9 HB2 LYS 9 -8.795 -13.251 -3.495 311 2HB LYS 9 HB1 LYS 9 -8.669 -11.514 -3.254 312 1HG LYS 9 HG2 LYS 9 -10.098 -11.073 -4.901 313 2HG LYS 9 HG1 LYS 9 -9.325 -12.220 -5.997 314 1HD LYS 9 HD2 LYS 9 -10.842 -13.432 -3.788 315 2HD LYS 9 HD1 LYS 9 -11.811 -12.526 -4.953 316 1HE LYS 9 HE2 LYS 9 -10.290 -13.898 -6.660 317 2HE LYS 9 HE1 LYS 9 -10.251 -15.022 -5.302 318 1HZ LYS 9 HZ1 LYS 9 -12.123 -15.742 -6.324 319 2HZ LYS 9 HZ2 LYS 9 -12.491 -14.236 -7.002 320 3HZ LYS 9 HZ3 LYS 9 -12.832 -14.535 -5.373 321 H ILE 10 HN ILE 10 -5.972 -12.626 -2.417 322 HA ILE 10 HA ILE 10 -5.401 -9.907 -1.855 323 HB ILE 10 HB ILE 10 -3.773 -10.840 -0.180 324 1HG1 ILE 10 HG12 ILE 10 -5.014 -13.493 -0.909 325 2HG1 ILE 10 HG11 ILE 10 -3.409 -12.993 -1.434 326 1HG2 ILE 10 HG21 ILE 10 -5.446 -11.193 1.356 327 2HG2 ILE 10 HG22 ILE 10 -6.436 -12.112 0.222 328 3HG2 ILE 10 HG23 ILE 10 -6.320 -10.359 0.072 329 1HD1 ILE 10 HD11 ILE 10 -4.335 -13.421 1.391 330 2HD1 ILE 10 HD12 ILE 10 -2.760 -12.764 0.943 331 3HD1 ILE 10 HD13 ILE 10 -3.195 -14.408 0.475 332 H ASP 11 HN ASP 11 -3.468 -12.545 -3.238 333 HA ASP 11 HA ASP 11 -0.983 -11.362 -3.327 334 1HB ASP 11 HB2 ASP 11 -1.535 -13.685 -4.095 335 2HB ASP 11 HB1 ASP 11 -2.197 -12.990 -5.572 336 H ASP 12 HN ASP 12 -3.792 -10.787 -5.314 337 HA ASP 12 HA ASP 12 -2.530 -9.165 -7.278 338 1HB ASP 12 HB2 ASP 12 -5.220 -10.006 -6.626 339 2HB ASP 12 HB1 ASP 12 -5.194 -8.287 -7.008 340 H ILE 13 HN ILE 13 -4.296 -8.467 -4.297 341 HA ILE 13 HA ILE 13 -4.086 -5.669 -4.378 342 HB ILE 13 HB ILE 13 -4.138 -7.397 -1.900 343 1HG1 ILE 13 HG12 ILE 13 -6.409 -6.364 -3.607 344 2HG1 ILE 13 HG11 ILE 13 -5.964 -8.048 -3.351 345 1HG2 ILE 13 HG21 ILE 13 -5.575 -4.878 -1.824 346 2HG2 ILE 13 HG22 ILE 13 -3.858 -4.656 -2.157 347 3HG2 ILE 13 HG23 ILE 13 -4.371 -5.525 -0.711 348 1HD1 ILE 13 HD11 ILE 13 -7.342 -8.137 -1.631 349 2HD1 ILE 13 HD12 ILE 13 -7.753 -6.438 -1.862 350 3HD1 ILE 13 HD13 ILE 13 -6.407 -6.884 -0.813 351 H ASP 14 HN ASP 14 -2.004 -8.137 -2.888 352 HA ASP 14 HA ASP 14 -0.155 -6.571 -1.602 353 1HB ASP 14 HB2 ASP 14 -0.357 -9.220 -2.094 354 2HB ASP 14 HB1 ASP 14 0.978 -8.816 -3.168 355 H HIS 15 HN HIS 15 -0.503 -7.133 -5.038 356 HA HIS 15 HA HIS 15 2.012 -5.951 -5.749 357 1HB HIS 15 HB2 HIS 15 0.428 -7.604 -7.084 358 2HB HIS 15 HB1 HIS 15 -0.266 -6.097 -7.675 359 HD1 HIS 15 HD1 HIS 15 2.970 -5.027 -7.359 360 HD2 HIS 15 HD2 HIS 15 1.223 -7.810 -9.901 361 HE1 HIS 15 HE1 HIS 15 4.526 -5.210 -9.325 362 HE2 HIS 15 HE2 HIS 15 3.494 -6.966 -10.807 363 H GLU 16 HN GLU 16 -1.243 -4.847 -5.213 364 HA GLU 16 HA GLU 16 -0.768 -2.258 -6.404 365 1HB GLU 16 HB2 GLU 16 -3.107 -2.999 -4.661 366 2HB GLU 16 HB1 GLU 16 -3.031 -1.772 -5.920 367 1HG GLU 16 HG2 GLU 16 -3.058 -3.390 -7.634 368 2HG GLU 16 HG1 GLU 16 -2.731 -4.701 -6.501 369 H ILE 17 HN ILE 17 -0.837 -3.692 -3.215 370 HA ILE 17 HA ILE 17 -0.872 -1.322 -1.691 371 HB ILE 17 HB ILE 17 0.432 -3.926 -0.896 372 1HG1 ILE 17 HG12 ILE 17 -2.392 -3.248 -0.201 373 2HG1 ILE 17 HG11 ILE 17 -2.054 -3.917 -1.791 374 1HG2 ILE 17 HG21 ILE 17 -0.250 -1.432 0.482 375 2HG2 ILE 17 HG22 ILE 17 0.933 -2.673 0.896 376 3HG2 ILE 17 HG23 ILE 17 -0.766 -2.896 1.319 377 1HD1 ILE 17 HD11 ILE 17 -0.729 -5.447 0.242 378 2HD1 ILE 17 HD12 ILE 17 -1.916 -5.957 -0.957 379 3HD1 ILE 17 HD13 ILE 17 -2.452 -5.303 0.590 380 H ALA 18 HN ALA 18 1.688 -3.148 -3.232 381 HA ALA 18 HA ALA 18 3.823 -1.700 -1.961 382 1HB ALA 18 HB1 ALA 18 3.583 -3.915 -3.884 383 2HB ALA 18 HB2 ALA 18 4.690 -3.700 -2.527 384 3HB ALA 18 HB3 ALA 18 5.015 -2.903 -4.066 385 H ASP 19 HN ASP 19 2.126 -1.576 -5.050 386 HA ASP 19 HA ASP 19 3.795 0.107 -6.479 387 1HB ASP 19 HB2 ASP 19 0.885 -0.486 -6.516 388 2HB ASP 19 HB1 ASP 19 1.410 0.965 -7.364 389 H LEU 20 HN LEU 20 1.260 0.950 -4.153 390 HA LEU 20 HA LEU 20 1.541 3.759 -4.460 391 1HB LEU 20 HB2 LEU 20 0.515 2.424 -1.979 392 2HB LEU 20 HB1 LEU 20 0.055 3.975 -2.653 393 HG LEU 20 HG LEU 20 -0.696 1.241 -3.661 394 1HD1 LEU 20 HD11 LEU 20 -2.222 3.571 -2.533 395 2HD1 LEU 20 HD12 LEU 20 -2.100 1.933 -1.892 396 3HD1 LEU 20 HD13 LEU 20 -2.994 2.231 -3.383 397 1HD2 LEU 20 HD21 LEU 20 -1.747 2.236 -5.546 398 2HD2 LEU 20 HD22 LEU 20 -0.080 2.811 -5.520 399 3HD2 LEU 20 HD23 LEU 20 -1.385 3.862 -4.969 400 H GLN 21 HN GLN 21 2.708 1.481 -1.993 401 HA GLN 21 HA GLN 21 4.003 3.251 -0.319 402 1HB GLN 21 HB2 GLN 21 3.672 0.677 -0.151 403 2HB GLN 21 HB1 GLN 21 5.226 0.589 -0.969 404 1HG GLN 21 HG2 GLN 21 6.332 1.680 0.810 405 2HG GLN 21 HG1 GLN 21 4.808 2.156 1.558 406 1HE2 GLN 21 HE21 GLN 21 6.453 -0.797 0.471 407 2HE2 GLN 21 HE22 GLN 21 6.031 -1.745 1.853 408 H ALA 22 HN ALA 22 5.150 1.829 -3.332 409 HA ALA 22 HA ALA 22 7.817 2.728 -3.161 410 1HB ALA 22 HB1 ALA 22 6.631 2.523 -5.852 411 2HB ALA 22 HB2 ALA 22 6.507 1.083 -4.840 412 3HB ALA 22 HB3 ALA 22 8.088 1.780 -5.191 413 H LYS 23 HN LYS 23 4.901 4.185 -4.504 414 HA LYS 23 HA LYS 23 6.169 6.419 -5.694 415 1HB LYS 23 HB2 LYS 23 3.416 5.570 -5.102 416 2HB LYS 23 HB1 LYS 23 3.647 7.312 -5.138 417 1HG LYS 23 HG2 LYS 23 3.077 6.838 -7.319 418 2HG LYS 23 HG1 LYS 23 4.839 6.865 -7.389 419 1HD LYS 23 HD2 LYS 23 4.597 4.878 -8.417 420 2HD LYS 23 HD1 LYS 23 4.381 4.260 -6.778 421 1HE LYS 23 HE2 LYS 23 2.201 3.830 -7.101 422 2HE LYS 23 HE1 LYS 23 1.939 5.329 -7.994 423 1HZ LYS 23 HZ1 LYS 23 3.486 3.275 -9.354 424 2HZ LYS 23 HZ2 LYS 23 2.308 4.325 -9.962 425 3HZ LYS 23 HZ3 LYS 23 1.845 2.934 -9.120 426 H ARG 24 HN ARG 24 4.942 5.784 -2.473 427 HA ARG 24 HA ARG 24 5.075 8.481 -1.563 428 1HB ARG 24 HB2 ARG 24 3.629 6.855 -0.471 429 2HB ARG 24 HB1 ARG 24 5.022 5.880 -0.025 430 1HG ARG 24 HG2 ARG 24 5.382 7.079 1.807 431 2HG ARG 24 HG1 ARG 24 5.298 8.598 0.914 432 1HD ARG 24 HD2 ARG 24 2.733 8.145 0.933 433 2HD ARG 24 HD1 ARG 24 3.119 7.075 2.280 434 HE ARG 24 HE ARG 24 3.032 9.916 2.331 435 1HH1 ARG 24 HH11 ARG 24 4.697 7.164 3.685 436 2HH1 ARG 24 HH12 ARG 24 5.133 7.988 5.145 437 1HH2 ARG 24 HH21 ARG 24 3.605 11.002 4.250 438 2HH2 ARG 24 HH22 ARG 24 4.512 10.166 5.467 439 H THR 25 HN THR 25 7.242 5.685 -1.266 440 HA THR 25 HA THR 25 9.167 6.920 0.371 441 HB THR 25 HB THR 25 10.056 4.904 -1.614 442 HG1 THR 25 HG1 THR 25 8.960 3.268 -0.435 443 1HG2 THR 25 HG21 THR 25 10.292 4.314 1.226 444 2HG2 THR 25 HG22 THR 25 11.089 5.810 0.738 445 3HG2 THR 25 HG23 THR 25 11.510 4.289 -0.049 446 H ARG 26 HN ARG 26 9.226 6.355 -3.152 447 HA ARG 26 HA ARG 26 11.584 7.607 -3.780 448 1HB ARG 26 HB2 ARG 26 10.457 8.177 -5.994 449 2HB ARG 26 HB1 ARG 26 10.464 6.483 -5.523 450 1HG ARG 26 HG2 ARG 26 8.287 6.520 -5.981 451 2HG ARG 26 HG1 ARG 26 8.110 7.378 -4.451 452 1HD ARG 26 HD2 ARG 26 7.442 9.225 -5.495 453 2HD ARG 26 HD1 ARG 26 8.860 9.205 -6.543 454 HE ARG 26 HE ARG 26 6.234 8.494 -7.272 455 1HH1 ARG 26 HH11 ARG 26 9.538 7.465 -7.729 456 2HH1 ARG 26 HH12 ARG 26 9.231 6.743 -9.272 457 1HH2 ARG 26 HH21 ARG 26 5.830 7.545 -9.303 458 2HH2 ARG 26 HH22 ARG 26 7.126 6.789 -10.167 459 H LEU 27 HN LEU 27 8.419 9.072 -3.260 460 HA LEU 27 HA LEU 27 9.170 11.713 -3.943 461 1HB LEU 27 HB2 LEU 27 6.904 10.445 -2.495 462 2HB LEU 27 HB1 LEU 27 7.162 12.160 -2.240 463 HG LEU 27 HG LEU 27 7.071 11.179 -5.048 464 1HD1 LEU 27 HD11 LEU 27 4.475 11.770 -4.663 465 2HD1 LEU 27 HD12 LEU 27 4.849 10.995 -3.124 466 3HD1 LEU 27 HD13 LEU 27 5.122 10.129 -4.636 467 1HD2 LEU 27 HD21 LEU 27 5.985 13.353 -5.381 468 2HD2 LEU 27 HD22 LEU 27 7.551 13.515 -4.584 469 3HD2 LEU 27 HD23 LEU 27 6.065 13.651 -3.644 470 H VAL 28 HN VAL 28 9.234 9.864 -0.937 471 HA VAL 28 HA VAL 28 9.884 11.992 0.794 472 HB VAL 28 HB VAL 28 10.757 9.124 1.092 473 1HG1 VAL 28 HG11 VAL 28 10.182 11.185 3.212 474 2HG1 VAL 28 HG12 VAL 28 11.795 10.809 2.608 475 3HG1 VAL 28 HG13 VAL 28 10.856 9.572 3.443 476 1HG2 VAL 28 HG21 VAL 28 8.639 8.516 1.388 477 2HG2 VAL 28 HG22 VAL 28 8.125 10.145 0.952 478 3HG2 VAL 28 HG23 VAL 28 8.439 9.741 2.639 479 H GLN 29 HN GLN 29 11.901 9.700 -0.998 480 HA GLN 29 HA GLN 29 14.405 10.475 -0.109 481 1HB GLN 29 HB2 GLN 29 13.356 9.264 -2.615 482 2HB GLN 29 HB1 GLN 29 14.982 9.932 -2.674 483 1HG GLN 29 HG2 GLN 29 15.644 8.507 -0.812 484 2HG GLN 29 HG1 GLN 29 14.010 7.847 -0.731 485 1HE2 GLN 29 HE21 GLN 29 13.463 6.206 -2.039 486 2HE2 GLN 29 HE22 GLN 29 14.498 5.514 -3.236 487 H GLN 30 HN GLN 30 12.221 12.013 -2.348 488 HA GLN 30 HA GLN 30 14.059 13.900 -3.411 489 1HB GLN 30 HB2 GLN 30 11.563 13.154 -4.100 490 2HB GLN 30 HB1 GLN 30 11.190 14.629 -3.219 491 1HG GLN 30 HG2 GLN 30 12.179 15.971 -4.765 492 2HG GLN 30 HG1 GLN 30 13.344 14.742 -5.252 493 1HE2 GLN 30 HE21 GLN 30 11.314 16.507 -6.679 494 2HE2 GLN 30 HE22 GLN 30 10.479 15.412 -7.723 495 H HIS 31 HN HIS 31 12.026 13.773 -0.558 496 HA HIS 31 HA HIS 31 13.315 16.239 0.370 497 1HB HIS 31 HB2 HIS 31 11.244 17.118 1.279 498 2HB HIS 31 HB1 HIS 31 11.069 16.854 -0.451 499 HD1 HIS 31 HD1 HIS 31 9.966 14.305 -0.941 500 HD2 HIS 31 HD2 HIS 31 9.102 16.213 2.641 501 HE1 HIS 31 HE1 HIS 31 7.854 13.242 -0.104 502 HE2 HIS 31 HE2 HIS 31 7.484 14.261 2.168 503 HA PRO 32 HA PRO 32 13.515 12.811 3.505 504 1HB PRO 32 HB2 PRO 32 16.145 13.129 4.080 505 2HB PRO 32 HB1 PRO 32 15.573 12.124 2.743 506 1HG PRO 32 HG2 PRO 32 16.628 14.926 2.690 507 2HG PRO 32 HG1 PRO 32 16.975 13.579 1.590 508 1HD PRO 32 HD2 PRO 32 15.221 15.550 0.976 509 2HD PRO 32 HD1 PRO 32 15.025 13.882 0.401 510 H ARG 33 HN ARG 33 14.623 16.136 3.469 511 HA ARG 33 HA ARG 33 13.917 16.345 6.315 512 1HB ARG 33 HB2 ARG 33 16.256 17.753 5.021 513 2HB ARG 33 HB1 ARG 33 15.783 17.843 6.712 514 1HG ARG 33 HG2 ARG 33 16.772 15.898 7.227 515 2HG ARG 33 HG1 ARG 33 16.290 15.130 5.713 516 1HD ARG 33 HD2 ARG 33 18.491 15.273 5.248 517 2HD ARG 33 HD1 ARG 33 18.074 16.923 4.790 518 HE ARG 33 HE ARG 33 18.759 16.660 7.561 519 1HH1 ARG 33 HH11 ARG 33 20.044 17.073 4.343 520 2HH1 ARG 33 HH12 ARG 33 21.508 17.821 4.889 521 1HH2 ARG 33 HH21 ARG 33 20.683 17.644 8.281 522 2HH2 ARG 33 HH22 ARG 33 21.871 18.144 7.124 Start of MODEL 11 1 H CYS 1 HT1 CYS 1 14.313 26.938 -4.806 2 HA CYS 1 HA CYS 1 12.357 26.560 -3.473 3 1HB CYS 1 HB2 CYS 1 12.471 27.472 -5.903 4 2HB CYS 1 HB1 CYS 1 11.739 25.935 -6.350 5 HG CYS 1 HG CYS 1 9.655 26.597 -4.910 6 H GLY 2 HN GLY 2 11.620 24.950 -2.242 7 1HA GLY 2 HA2 GLY 2 10.135 22.810 -3.238 8 2HA GLY 2 HA1 GLY 2 11.759 22.213 -2.935 9 H GLY 3 HN GLY 3 9.051 23.910 -1.393 10 1HA GLY 3 HA2 GLY 3 10.020 23.526 1.259 11 2HA GLY 3 HA1 GLY 3 8.391 24.007 0.810 12 H ASP 4 HN ASP 4 6.857 22.637 1.396 13 HA ASP 4 HA ASP 4 7.572 19.799 1.745 14 1HB ASP 4 HB2 ASP 4 5.423 21.421 3.109 15 2HB ASP 4 HB1 ASP 4 5.700 19.700 3.354 16 H ASN 5 HN ASN 5 6.408 21.446 -0.606 17 HA ASN 5 HA ASN 5 3.788 20.725 -1.137 18 1HB ASN 5 HB2 ASN 5 5.412 22.225 -2.497 19 2HB ASN 5 HB1 ASN 5 5.878 20.731 -3.303 20 1HD2 ASN 5 HD21 ASN 5 2.796 22.101 -2.195 21 2HD2 ASN 5 HD22 ASN 5 1.985 21.938 -3.712 22 H ILE 6 HN ILE 6 6.697 18.858 -1.229 23 HA ILE 6 HA ILE 6 5.546 16.634 -2.658 24 HB ILE 6 HB ILE 6 8.092 16.652 -1.049 25 1HG1 ILE 6 HG12 ILE 6 8.871 16.960 -3.661 26 2HG1 ILE 6 HG11 ILE 6 7.440 17.985 -3.589 27 1HG2 ILE 6 HG21 ILE 6 7.300 15.024 -3.456 28 2HG2 ILE 6 HG22 ILE 6 7.186 14.472 -1.786 29 3HG2 ILE 6 HG23 ILE 6 8.762 14.846 -2.486 30 1HD1 ILE 6 HD11 ILE 6 9.800 18.948 -3.050 31 2HD1 ILE 6 HD12 ILE 6 9.511 18.232 -1.465 32 3HD1 ILE 6 HD13 ILE 6 8.398 19.441 -2.103 33 H GLU 7 HN GLU 7 6.494 17.393 0.660 34 HA GLU 7 HA GLU 7 5.900 14.959 1.868 35 1HB GLU 7 HB2 GLU 7 7.094 16.782 3.002 36 2HB GLU 7 HB1 GLU 7 5.617 17.735 3.030 37 1HG GLU 7 HG2 GLU 7 4.905 15.333 4.218 38 2HG GLU 7 HG1 GLU 7 6.522 15.671 4.834 39 H GLN 8 HN GLN 8 3.803 17.446 0.688 40 HA GLN 8 HA GLN 8 1.487 16.575 2.157 41 1HB GLN 8 HB2 GLN 8 1.709 18.909 1.446 42 2HB GLN 8 HB1 GLN 8 1.744 18.405 -0.238 43 1HG GLN 8 HG2 GLN 8 -0.477 18.222 -0.356 44 2HG GLN 8 HG1 GLN 8 -0.597 17.454 1.226 45 1HE2 GLN 8 HE21 GLN 8 -1.861 18.569 2.515 46 2HE2 GLN 8 HE22 GLN 8 -1.941 20.291 2.635 47 H LYS 9 HN LYS 9 2.733 16.238 -1.127 48 HA LYS 9 HA LYS 9 0.572 14.846 -2.235 49 1HB LYS 9 HB2 LYS 9 3.121 15.674 -3.075 50 2HB LYS 9 HB1 LYS 9 3.090 13.933 -3.319 51 1HG LYS 9 HG2 LYS 9 1.580 14.055 -4.985 52 2HG LYS 9 HG1 LYS 9 0.711 15.401 -4.246 53 1HD LYS 9 HD2 LYS 9 1.929 16.951 -5.340 54 2HD LYS 9 HD1 LYS 9 3.429 16.037 -5.167 55 1HE LYS 9 HE2 LYS 9 2.760 16.250 -7.514 56 2HE LYS 9 HE1 LYS 9 2.766 14.568 -6.988 57 1HZ LYS 9 HZ1 LYS 9 0.549 14.394 -7.227 58 2HZ LYS 9 HZ2 LYS 9 0.750 15.680 -8.305 59 3HZ LYS 9 HZ3 LYS 9 0.240 15.978 -6.721 60 H ILE 10 HN ILE 10 3.365 13.734 -0.398 61 HA ILE 10 HA ILE 10 2.888 10.962 -0.811 62 HB ILE 10 HB ILE 10 4.325 10.650 1.224 63 1HG1 ILE 10 HG12 ILE 10 4.765 13.629 0.983 64 2HG1 ILE 10 HG11 ILE 10 3.789 12.872 2.239 65 1HG2 ILE 10 HG21 ILE 10 6.315 11.032 0.037 66 2HG2 ILE 10 HG22 ILE 10 5.625 12.400 -0.837 67 3HG2 ILE 10 HG23 ILE 10 5.082 10.760 -1.194 68 1HD1 ILE 10 HD11 ILE 10 5.759 11.639 3.005 69 2HD1 ILE 10 HD12 ILE 10 5.989 13.385 3.077 70 3HD1 ILE 10 HD13 ILE 10 6.728 12.451 1.776 71 H ASP 11 HN ASP 11 2.007 13.229 1.781 72 HA ASP 11 HA ASP 11 0.939 11.495 3.632 73 1HB ASP 11 HB2 ASP 11 1.085 14.128 3.574 74 2HB ASP 11 HB1 ASP 11 -0.570 14.000 2.985 75 H ASP 12 HN ASP 12 -0.385 12.591 0.597 76 HA ASP 12 HA ASP 12 -3.007 11.546 0.947 77 1HB ASP 12 HB2 ASP 12 -1.859 13.155 -0.917 78 2HB ASP 12 HB1 ASP 12 -1.906 11.633 -1.801 79 H ILE 13 HN ILE 13 -0.080 10.334 -0.627 80 HA ILE 13 HA ILE 13 -1.107 7.869 -1.481 81 HB ILE 13 HB ILE 13 1.736 8.414 -0.622 82 1HG1 ILE 13 HG12 ILE 13 0.378 8.894 -3.281 83 2HG1 ILE 13 HG11 ILE 13 1.051 10.117 -2.209 84 1HG2 ILE 13 HG21 ILE 13 1.283 6.647 -2.889 85 2HG2 ILE 13 HG22 ILE 13 0.552 6.053 -1.399 86 3HG2 ILE 13 HG23 ILE 13 2.277 6.413 -1.451 87 1HD1 ILE 13 HD11 ILE 13 2.346 8.504 -4.229 88 2HD1 ILE 13 HD12 ILE 13 3.176 8.424 -2.675 89 3HD1 ILE 13 HD13 ILE 13 2.888 9.986 -3.441 90 H ASP 14 HN ASP 14 0.552 8.798 1.523 91 HA ASP 14 HA ASP 14 0.791 6.369 2.776 92 1HB ASP 14 HB2 ASP 14 1.228 8.930 3.530 93 2HB ASP 14 HB1 ASP 14 -0.197 8.564 4.498 94 H HIS 15 HN HIS 15 -2.094 8.307 2.333 95 HA HIS 15 HA HIS 15 -3.720 6.757 4.111 96 1HB HIS 15 HB2 HIS 15 -4.105 9.181 3.326 97 2HB HIS 15 HB1 HIS 15 -4.753 8.463 1.855 98 HD1 HIS 15 HD1 HIS 15 -5.423 6.799 5.122 99 HD2 HIS 15 HD2 HIS 15 -7.335 9.385 2.491 100 HE1 HIS 15 HE1 HIS 15 -7.823 6.863 5.869 101 HE2 HIS 15 HE2 HIS 15 -8.940 8.504 4.317 102 H GLU 16 HN GLU 16 -2.799 6.604 0.766 103 HA GLU 16 HA GLU 16 -4.853 4.687 0.087 104 1HB GLU 16 HB2 GLU 16 -2.454 5.365 -1.598 105 2HB GLU 16 HB1 GLU 16 -4.029 4.785 -2.125 106 1HG GLU 16 HG2 GLU 16 -3.743 7.434 -0.764 107 2HG GLU 16 HG1 GLU 16 -3.428 7.256 -2.489 108 H ILE 17 HN ILE 17 -1.456 4.704 0.912 109 HA ILE 17 HA ILE 17 -0.821 2.068 0.148 110 HB ILE 17 HB ILE 17 0.427 3.614 2.422 111 1HG1 ILE 17 HG12 ILE 17 1.543 3.616 -0.348 112 2HG1 ILE 17 HG11 ILE 17 0.217 4.710 0.024 113 1HG2 ILE 17 HG21 ILE 17 1.538 1.676 2.618 114 2HG2 ILE 17 HG22 ILE 17 2.411 2.220 1.185 115 3HG2 ILE 17 HG23 ILE 17 1.045 1.117 1.020 116 1HD1 ILE 17 HD11 ILE 17 1.608 6.126 0.990 117 2HD1 ILE 17 HD12 ILE 17 2.946 5.102 0.471 118 3HD1 ILE 17 HD13 ILE 17 2.221 4.868 2.062 119 H ALA 18 HN ALA 18 -2.300 3.449 2.999 120 HA ALA 18 HA ALA 18 -2.127 1.035 4.560 121 1HB ALA 18 HB1 ALA 18 -3.098 3.783 4.963 122 2HB ALA 18 HB2 ALA 18 -2.212 2.718 6.055 123 3HB ALA 18 HB3 ALA 18 -3.956 2.536 5.869 124 H ASP 19 HN ASP 19 -4.573 2.675 2.617 125 HA ASP 19 HA ASP 19 -6.829 1.241 3.346 126 1HB ASP 19 HB2 ASP 19 -6.729 3.231 1.798 127 2HB ASP 19 HB1 ASP 19 -6.199 2.132 0.527 128 H LEU 20 HN LEU 20 -4.367 0.436 0.926 129 HA LEU 20 HA LEU 20 -5.624 -1.954 0.050 130 1HB LEU 20 HB2 LEU 20 -2.673 -1.429 -0.095 131 2HB LEU 20 HB1 LEU 20 -3.663 -2.379 -1.184 132 HG LEU 20 HG LEU 20 -3.498 0.614 -0.967 133 1HD1 LEU 20 HD11 LEU 20 -3.166 0.272 -3.477 134 2HD1 LEU 20 HD12 LEU 20 -2.907 -1.427 -3.081 135 3HD1 LEU 20 HD13 LEU 20 -1.846 -0.193 -2.403 136 1HD2 LEU 20 HD21 LEU 20 -5.329 0.815 -2.501 137 2HD2 LEU 20 HD22 LEU 20 -5.877 -0.105 -1.100 138 3HD2 LEU 20 HD23 LEU 20 -5.494 -0.938 -2.607 139 H GLN 21 HN GLN 21 -2.863 -1.379 2.226 140 HA GLN 21 HA GLN 21 -2.263 -3.979 2.901 141 1HB GLN 21 HB2 GLN 21 -1.239 -1.661 3.648 142 2HB GLN 21 HB1 GLN 21 -2.252 -1.918 5.062 143 1HG GLN 21 HG2 GLN 21 -0.966 -4.343 4.703 144 2HG GLN 21 HG1 GLN 21 0.267 -3.137 4.336 145 1HE2 GLN 21 HE21 GLN 21 -2.197 -3.951 6.741 146 2HE2 GLN 21 HE22 GLN 21 -1.311 -3.367 8.104 147 H ALA 22 HN ALA 22 -4.875 -1.961 4.096 148 HA ALA 22 HA ALA 22 -5.655 -3.701 6.213 149 1HB ALA 22 HB1 ALA 22 -6.867 -1.335 4.863 150 2HB ALA 22 HB2 ALA 22 -6.424 -1.562 6.556 151 3HB ALA 22 HB3 ALA 22 -7.871 -2.339 5.911 152 H LYS 23 HN LYS 23 -6.473 -3.430 2.818 153 HA LYS 23 HA LYS 23 -8.742 -5.142 2.895 154 1HB LYS 23 HB2 LYS 23 -7.115 -3.813 0.834 155 2HB LYS 23 HB1 LYS 23 -7.847 -5.328 0.321 156 1HG LYS 23 HG2 LYS 23 -9.255 -3.416 -0.223 157 2HG LYS 23 HG1 LYS 23 -10.047 -4.496 0.926 158 1HD LYS 23 HD2 LYS 23 -10.204 -2.879 2.454 159 2HD LYS 23 HD1 LYS 23 -8.497 -2.466 2.284 160 1HE LYS 23 HE2 LYS 23 -8.933 -0.723 0.941 161 2HE LYS 23 HE1 LYS 23 -10.155 -1.610 0.032 162 1HZ LYS 23 HZ1 LYS 23 -11.524 -1.272 2.208 163 2HZ LYS 23 HZ2 LYS 23 -11.424 -0.032 1.061 164 3HZ LYS 23 HZ3 LYS 23 -10.461 0.022 2.451 165 H ARG 24 HN ARG 24 -5.301 -5.653 2.402 166 HA ARG 24 HA ARG 24 -5.505 -8.356 1.540 167 1HB ARG 24 HB2 ARG 24 -3.522 -7.014 1.073 168 2HB ARG 24 HB1 ARG 24 -3.193 -6.861 2.793 169 1HG ARG 24 HG2 ARG 24 -2.222 -8.874 2.912 170 2HG ARG 24 HG1 ARG 24 -3.423 -9.625 1.859 171 1HD ARG 24 HD2 ARG 24 -2.157 -8.104 0.057 172 2HD ARG 24 HD1 ARG 24 -0.833 -8.357 1.194 173 HE ARG 24 HE ARG 24 -1.884 -10.253 -0.630 174 1HH1 ARG 24 HH11 ARG 24 -0.563 -9.971 2.588 175 2HH1 ARG 24 HH12 ARG 24 0.035 -11.597 2.620 176 1HH2 ARG 24 HH21 ARG 24 -1.099 -12.391 -0.589 177 2HH2 ARG 24 HH22 ARG 24 -0.269 -12.970 0.816 178 H THR 25 HN THR 25 -4.988 -6.837 4.698 179 HA THR 25 HA THR 25 -4.506 -9.206 6.143 180 HB THR 25 HB THR 25 -5.896 -7.015 7.549 181 HG1 THR 25 HG1 THR 25 -4.064 -5.657 7.355 182 1HG2 THR 25 HG21 THR 25 -4.877 -8.255 9.121 183 2HG2 THR 25 HG22 THR 25 -3.510 -7.211 8.731 184 3HG2 THR 25 HG23 THR 25 -3.622 -8.822 8.022 185 H ARG 26 HN ARG 26 -7.496 -7.271 5.885 186 HA ARG 26 HA ARG 26 -9.181 -8.842 7.376 187 1HB ARG 26 HB2 ARG 26 -11.027 -7.931 6.060 188 2HB ARG 26 HB1 ARG 26 -9.842 -6.684 6.423 189 1HG ARG 26 HG2 ARG 26 -8.958 -6.803 4.188 190 2HG ARG 26 HG1 ARG 26 -10.011 -8.168 3.808 191 1HD ARG 26 HD2 ARG 26 -11.261 -5.652 4.783 192 2HD ARG 26 HD1 ARG 26 -10.641 -5.688 3.133 193 HE ARG 26 HE ARG 26 -12.150 -7.954 3.352 194 1HH1 ARG 26 HH11 ARG 26 -12.741 -4.548 3.833 195 2HH1 ARG 26 HH12 ARG 26 -14.411 -4.648 3.389 196 1HH2 ARG 26 HH21 ARG 26 -14.347 -8.087 2.766 197 2HH2 ARG 26 HH22 ARG 26 -15.324 -6.656 2.783 198 H LEU 27 HN LEU 27 -8.236 -9.263 4.004 199 HA LEU 27 HA LEU 27 -9.938 -11.459 3.470 200 1HB LEU 27 HB2 LEU 27 -7.617 -10.178 2.167 201 2HB LEU 27 HB1 LEU 27 -7.855 -11.872 1.782 202 HG LEU 27 HG LEU 27 -10.370 -10.950 1.411 203 1HD1 LEU 27 HD11 LEU 27 -9.695 -8.637 1.897 204 2HD1 LEU 27 HD12 LEU 27 -10.289 -8.831 0.248 205 3HD1 LEU 27 HD13 LEU 27 -8.556 -8.702 0.552 206 1HD2 LEU 27 HD21 LEU 27 -10.017 -11.539 -0.738 207 2HD2 LEU 27 HD22 LEU 27 -8.474 -12.111 -0.105 208 3HD2 LEU 27 HD23 LEU 27 -8.575 -10.535 -0.891 209 H VAL 28 HN VAL 28 -6.666 -11.176 4.760 210 HA VAL 28 HA VAL 28 -5.998 -13.912 4.708 211 HB VAL 28 HB VAL 28 -5.090 -11.887 6.749 212 1HG1 VAL 28 HG11 VAL 28 -4.644 -14.553 6.761 213 2HG1 VAL 28 HG12 VAL 28 -3.528 -13.361 7.427 214 3HG1 VAL 28 HG13 VAL 28 -3.273 -13.996 5.802 215 1HG2 VAL 28 HG21 VAL 28 -4.710 -11.852 3.949 216 2HG2 VAL 28 HG22 VAL 28 -3.174 -12.319 4.677 217 3HG2 VAL 28 HG23 VAL 28 -3.959 -10.818 5.163 218 H GLN 29 HN GLN 29 -7.533 -11.899 7.183 219 HA GLN 29 HA GLN 29 -7.748 -13.742 9.237 220 1HB GLN 29 HB2 GLN 29 -9.327 -11.366 8.388 221 2HB GLN 29 HB1 GLN 29 -10.070 -12.446 9.560 222 1HG GLN 29 HG2 GLN 29 -9.027 -10.979 10.954 223 2HG GLN 29 HG1 GLN 29 -7.765 -12.199 10.782 224 1HE2 GLN 29 HE21 GLN 29 -8.643 -8.946 10.299 225 2HE2 GLN 29 HE22 GLN 29 -7.176 -8.415 9.557 226 H GLN 30 HN GLN 30 -9.593 -13.401 6.290 227 HA GLN 30 HA GLN 30 -11.671 -15.217 6.944 228 1HB GLN 30 HB2 GLN 30 -11.306 -13.463 4.933 229 2HB GLN 30 HB1 GLN 30 -10.837 -14.945 4.110 230 1HG GLN 30 HG2 GLN 30 -13.007 -15.940 4.783 231 2HG GLN 30 HG1 GLN 30 -13.470 -14.374 5.449 232 1HE2 GLN 30 HE21 GLN 30 -15.169 -14.050 4.065 233 2HE2 GLN 30 HE22 GLN 30 -14.968 -13.751 2.376 234 H HIS 31 HN HIS 31 -8.434 -15.563 5.647 235 HA HIS 31 HA HIS 31 -8.712 -18.464 5.926 236 1HB HIS 31 HB2 HIS 31 -7.585 -18.912 3.823 237 2HB HIS 31 HB1 HIS 31 -9.038 -17.963 3.531 238 HD1 HIS 31 HD1 HIS 31 -8.343 -15.192 3.584 239 HD2 HIS 31 HD2 HIS 31 -5.550 -17.989 2.319 240 HE1 HIS 31 HE1 HIS 31 -6.702 -13.917 2.178 241 HE2 HIS 31 HE2 HIS 31 -4.904 -15.589 1.625 242 HA PRO 32 HA PRO 32 -4.897 -16.756 7.980 243 1HB PRO 32 HB2 PRO 32 -5.117 -18.390 10.163 244 2HB PRO 32 HB1 PRO 32 -5.860 -16.791 10.056 245 1HG PRO 32 HG2 PRO 32 -7.086 -19.483 9.608 246 2HG PRO 32 HG1 PRO 32 -7.749 -18.078 10.464 247 1HD PRO 32 HD2 PRO 32 -8.498 -18.700 7.953 248 2HD PRO 32 HD1 PRO 32 -8.367 -17.017 8.504 249 H ARG 33 HN ARG 33 -6.075 -19.970 7.266 250 HA ARG 33 HA ARG 33 -3.771 -21.460 7.809 251 1HB ARG 33 HB2 ARG 33 -5.997 -21.854 5.815 252 2HB ARG 33 HB1 ARG 33 -4.700 -23.023 6.020 253 1HG ARG 33 HG2 ARG 33 -6.360 -23.879 7.366 254 2HG ARG 33 HG1 ARG 33 -5.375 -22.974 8.517 255 1HD ARG 33 HD2 ARG 33 -6.920 -21.200 8.601 256 2HD ARG 33 HD1 ARG 33 -7.763 -21.759 7.157 257 HE ARG 33 HE ARG 33 -8.978 -23.198 8.461 258 1HH1 ARG 33 HH11 ARG 33 -6.253 -22.027 10.300 259 2HH1 ARG 33 HH12 ARG 33 -6.799 -22.720 11.789 260 1HH2 ARG 33 HH21 ARG 33 -9.699 -24.111 10.420 261 2HH2 ARG 33 HH22 ARG 33 -8.756 -23.903 11.859 262 H CYS 1 HN CYS 1 -14.004 -25.763 -5.058 263 HA CYS 1 HA CYS 1 -15.234 -23.753 -6.732 264 1HB CYS 1 HB2 CYS 1 -15.924 -24.705 -3.945 265 2HB CYS 1 HB1 CYS 1 -16.898 -23.596 -4.903 266 HG CYS 1 HG CYS 1 -16.437 -26.343 -6.185 267 H GLY 2 HN GLY 2 -13.187 -23.880 -3.902 268 1HA GLY 2 HA2 GLY 2 -12.710 -21.022 -4.142 269 2HA GLY 2 HA1 GLY 2 -13.419 -21.545 -2.622 270 H GLY 3 HN GLY 3 -12.164 -22.596 -1.115 271 1HA GLY 3 HA2 GLY 3 -10.254 -23.344 -0.078 272 2HA GLY 3 HA1 GLY 3 -9.594 -23.669 -1.674 273 H ASP 4 HN ASP 4 -8.121 -22.297 -2.539 274 HA ASP 4 HA ASP 4 -7.141 -20.181 -0.786 275 1HB ASP 4 HB2 ASP 4 -5.961 -21.373 -3.297 276 2HB ASP 4 HB1 ASP 4 -5.177 -20.169 -2.279 277 H ASN 5 HN ASN 5 -9.534 -20.123 -2.781 278 HA ASN 5 HA ASN 5 -9.044 -18.359 -4.858 279 1HB ASN 5 HB2 ASN 5 -11.342 -19.407 -3.517 280 2HB ASN 5 HB1 ASN 5 -11.568 -17.673 -3.724 281 1HD2 ASN 5 HD21 ASN 5 -10.512 -17.067 -6.054 282 2HD2 ASN 5 HD22 ASN 5 -11.243 -17.953 -7.344 283 H ILE 6 HN ILE 6 -9.249 -17.815 -1.451 284 HA ILE 6 HA ILE 6 -9.463 -14.950 -1.624 285 HB ILE 6 HB ILE 6 -8.631 -16.583 0.767 286 1HG1 ILE 6 HG12 ILE 6 -11.447 -15.789 0.001 287 2HG1 ILE 6 HG11 ILE 6 -10.779 -17.400 -0.245 288 1HG2 ILE 6 HG21 ILE 6 -8.312 -14.117 0.822 289 2HG2 ILE 6 HG22 ILE 6 -9.406 -14.733 2.062 290 3HG2 ILE 6 HG23 ILE 6 -10.055 -13.936 0.629 291 1HD1 ILE 6 HD11 ILE 6 -12.178 -16.619 1.933 292 2HD1 ILE 6 HD12 ILE 6 -10.520 -16.375 2.485 293 3HD1 ILE 6 HD13 ILE 6 -11.032 -17.960 1.904 294 H GLU 7 HN GLU 7 -6.956 -17.322 -0.878 295 HA GLU 7 HA GLU 7 -4.864 -15.594 -0.262 296 1HB GLU 7 HB2 GLU 7 -5.163 -18.315 -0.465 297 2HB GLU 7 HB1 GLU 7 -4.065 -17.967 -1.793 298 1HG GLU 7 HG2 GLU 7 -2.640 -16.717 -0.141 299 2HG GLU 7 HG1 GLU 7 -3.669 -17.382 1.126 300 H GLN 8 HN GLN 8 -6.224 -16.496 -3.338 301 HA GLN 8 HA GLN 8 -4.047 -15.449 -4.896 302 1HB GLN 8 HB2 GLN 8 -5.979 -17.215 -5.474 303 2HB GLN 8 HB1 GLN 8 -6.753 -15.760 -6.087 304 1HG GLN 8 HG2 GLN 8 -5.668 -16.541 -7.950 305 2HG GLN 8 HG1 GLN 8 -4.501 -15.382 -7.312 306 1HE2 GLN 8 HE21 GLN 8 -2.679 -16.185 -6.162 307 2HE2 GLN 8 HE22 GLN 8 -2.093 -17.784 -6.448 308 H LYS 9 HN LYS 9 -7.245 -14.366 -3.894 309 HA LYS 9 HA LYS 9 -7.341 -11.978 -5.354 310 1HB LYS 9 HB2 LYS 9 -9.108 -13.251 -3.805 311 2HB LYS 9 HB1 LYS 9 -8.563 -12.048 -2.644 312 1HG LYS 9 HG2 LYS 9 -9.317 -10.266 -3.970 313 2HG LYS 9 HG1 LYS 9 -9.496 -11.294 -5.393 314 1HD LYS 9 HD2 LYS 9 -11.128 -11.533 -2.867 315 2HD LYS 9 HD1 LYS 9 -11.659 -10.723 -4.342 316 1HE LYS 9 HE2 LYS 9 -10.907 -13.117 -5.339 317 2HE LYS 9 HE1 LYS 9 -11.437 -13.596 -3.726 318 1HZ LYS 9 HZ1 LYS 9 -13.102 -13.432 -5.736 319 2HZ LYS 9 HZ2 LYS 9 -13.176 -11.813 -5.256 320 3HZ LYS 9 HZ3 LYS 9 -13.580 -13.037 -4.162 321 H ILE 10 HN ILE 10 -5.952 -12.735 -2.201 322 HA ILE 10 HA ILE 10 -5.348 -10.037 -1.535 323 HB ILE 10 HB ILE 10 -3.741 -11.047 0.113 324 1HG1 ILE 10 HG12 ILE 10 -5.012 -13.659 -0.718 325 2HG1 ILE 10 HG11 ILE 10 -3.392 -13.164 -1.194 326 1HG2 ILE 10 HG21 ILE 10 -5.442 -11.576 1.635 327 2HG2 ILE 10 HG22 ILE 10 -6.493 -12.208 0.369 328 3HG2 ILE 10 HG23 ILE 10 -6.193 -10.474 0.481 329 1HD1 ILE 10 HD11 ILE 10 -4.375 -13.666 1.600 330 2HD1 ILE 10 HD12 ILE 10 -2.777 -13.040 1.193 331 3HD1 ILE 10 HD13 ILE 10 -3.251 -14.657 0.670 332 H ASP 11 HN ASP 11 -3.462 -12.674 -2.988 333 HA ASP 11 HA ASP 11 -0.959 -11.539 -3.055 334 1HB ASP 11 HB2 ASP 11 -1.963 -13.799 -4.076 335 2HB ASP 11 HB1 ASP 11 -1.887 -12.856 -5.561 336 H ASP 12 HN ASP 12 -3.765 -10.824 -4.997 337 HA ASP 12 HA ASP 12 -2.470 -9.152 -6.899 338 1HB ASP 12 HB2 ASP 12 -5.230 -9.861 -6.185 339 2HB ASP 12 HB1 ASP 12 -5.055 -8.209 -6.771 340 H ILE 13 HN ILE 13 -4.272 -8.524 -3.914 341 HA ILE 13 HA ILE 13 -4.017 -5.729 -3.915 342 HB ILE 13 HB ILE 13 -4.147 -7.507 -1.475 343 1HG1 ILE 13 HG12 ILE 13 -6.393 -6.372 -3.160 344 2HG1 ILE 13 HG11 ILE 13 -5.949 -8.071 -3.040 345 1HG2 ILE 13 HG21 ILE 13 -4.462 -5.664 -0.248 346 2HG2 ILE 13 HG22 ILE 13 -5.528 -4.934 -1.448 347 3HG2 ILE 13 HG23 ILE 13 -3.779 -4.798 -1.624 348 1HD1 ILE 13 HD11 ILE 13 -6.924 -8.323 -1.011 349 2HD1 ILE 13 HD12 ILE 13 -7.930 -7.020 -1.643 350 3HD1 ILE 13 HD13 ILE 13 -6.614 -6.656 -0.528 351 H ASP 14 HN ASP 14 -2.012 -8.246 -2.398 352 HA ASP 14 HA ASP 14 -0.172 -6.720 -1.059 353 1HB ASP 14 HB2 ASP 14 -0.410 -9.378 -1.649 354 2HB ASP 14 HB1 ASP 14 1.031 -8.945 -2.563 355 H HIS 15 HN HIS 15 -0.423 -7.281 -4.507 356 HA HIS 15 HA HIS 15 2.127 -6.136 -5.141 357 1HB HIS 15 HB2 HIS 15 0.775 -7.792 -6.557 358 2HB HIS 15 HB1 HIS 15 -0.205 -6.409 -7.031 359 HD1 HIS 15 HD1 HIS 15 3.452 -5.897 -6.608 360 HD2 HIS 15 HD2 HIS 15 0.757 -6.655 -9.678 361 HE1 HIS 15 HE1 HIS 15 4.716 -5.455 -8.737 362 HE2 HIS 15 HE2 HIS 15 3.092 -6.006 -10.581 363 H GLU 16 HN GLU 16 -1.113 -4.974 -4.676 364 HA GLU 16 HA GLU 16 -0.572 -2.399 -5.870 365 1HB GLU 16 HB2 GLU 16 -2.960 -3.093 -4.177 366 2HB GLU 16 HB1 GLU 16 -2.836 -1.872 -5.437 367 1HG GLU 16 HG2 GLU 16 -2.472 -4.755 -6.116 368 2HG GLU 16 HG1 GLU 16 -4.092 -4.096 -5.893 369 H ILE 17 HN ILE 17 -0.741 -3.828 -2.685 370 HA ILE 17 HA ILE 17 -0.764 -1.464 -1.156 371 HB ILE 17 HB ILE 17 0.490 -4.091 -0.352 372 1HG1 ILE 17 HG12 ILE 17 -2.332 -3.366 0.310 373 2HG1 ILE 17 HG11 ILE 17 -1.984 -4.036 -1.277 374 1HG2 ILE 17 HG21 ILE 17 0.419 -1.681 0.971 375 2HG2 ILE 17 HG22 ILE 17 0.653 -3.263 1.714 376 3HG2 ILE 17 HG23 ILE 17 -0.958 -2.550 1.649 377 1HD1 ILE 17 HD11 ILE 17 -2.357 -5.391 1.172 378 2HD1 ILE 17 HD12 ILE 17 -0.686 -5.642 0.666 379 3HD1 ILE 17 HD13 ILE 17 -2.010 -6.069 -0.418 380 H ALA 18 HN ALA 18 1.792 -3.312 -2.671 381 HA ALA 18 HA ALA 18 3.928 -1.892 -1.367 382 1HB ALA 18 HB1 ALA 18 3.685 -4.115 -3.276 383 2HB ALA 18 HB2 ALA 18 4.785 -3.899 -1.914 384 3HB ALA 18 HB3 ALA 18 5.130 -3.119 -3.457 385 H ASP 19 HN ASP 19 2.284 -1.762 -4.483 386 HA ASP 19 HA ASP 19 3.996 -0.097 -5.886 387 1HB ASP 19 HB2 ASP 19 1.081 -0.664 -5.981 388 2HB ASP 19 HB1 ASP 19 1.642 0.773 -6.830 389 H LEU 20 HN LEU 20 1.408 0.772 -3.629 390 HA LEU 20 HA LEU 20 1.707 3.576 -3.933 391 1HB LEU 20 HB2 LEU 20 0.641 2.232 -1.470 392 2HB LEU 20 HB1 LEU 20 0.211 3.800 -2.127 393 HG LEU 20 HG LEU 20 -0.573 1.089 -3.170 394 1HD1 LEU 20 HD11 LEU 20 -2.057 3.443 -2.040 395 2HD1 LEU 20 HD12 LEU 20 -2.005 1.788 -1.437 396 3HD1 LEU 20 HD13 LEU 20 -2.855 2.152 -2.938 397 1HD2 LEU 20 HD21 LEU 20 0.104 2.630 -5.020 398 2HD2 LEU 20 HD22 LEU 20 -1.156 3.738 -4.480 399 3HD2 LEU 20 HD23 LEU 20 -1.586 2.130 -5.063 400 H GLN 21 HN GLN 21 2.814 1.320 -1.412 401 HA GLN 21 HA GLN 21 4.091 3.082 0.268 402 1HB GLN 21 HB2 GLN 21 3.803 0.466 0.343 403 2HB GLN 21 HB1 GLN 21 5.421 0.476 -0.347 404 1HG GLN 21 HG2 GLN 21 5.574 2.259 1.765 405 2HG GLN 21 HG1 GLN 21 4.560 0.951 2.371 406 1HE2 GLN 21 HE21 GLN 21 7.666 2.004 2.016 407 2HE2 GLN 21 HE22 GLN 21 8.498 0.500 2.193 408 H ALA 22 HN ALA 22 5.317 1.654 -2.716 409 HA ALA 22 HA ALA 22 7.952 2.670 -2.503 410 1HB ALA 22 HB1 ALA 22 6.682 2.185 -5.160 411 2HB ALA 22 HB2 ALA 22 6.947 0.828 -4.065 412 3HB ALA 22 HB3 ALA 22 8.313 1.804 -4.605 413 H LYS 23 HN LYS 23 4.959 3.978 -3.755 414 HA LYS 23 HA LYS 23 6.057 6.160 -5.176 415 1HB LYS 23 HB2 LYS 23 3.461 5.156 -4.542 416 2HB LYS 23 HB1 LYS 23 3.497 6.870 -4.152 417 1HG LYS 23 HG2 LYS 23 2.929 7.092 -6.313 418 2HG LYS 23 HG1 LYS 23 4.667 6.925 -6.571 419 1HD LYS 23 HD2 LYS 23 4.078 5.267 -7.970 420 2HD LYS 23 HD1 LYS 23 3.881 4.320 -6.493 421 1HE LYS 23 HE2 LYS 23 1.473 5.428 -6.553 422 2HE LYS 23 HE1 LYS 23 1.830 5.525 -8.277 423 1HZ LYS 23 HZ1 LYS 23 0.954 3.464 -8.243 424 2HZ LYS 23 HZ2 LYS 23 1.328 3.192 -6.615 425 3HZ LYS 23 HZ3 LYS 23 2.525 3.016 -7.798 426 H ARG 24 HN ARG 24 5.135 5.704 -1.818 427 HA ARG 24 HA ARG 24 5.356 8.453 -1.082 428 1HB ARG 24 HB2 ARG 24 4.789 5.911 0.235 429 2HB ARG 24 HB1 ARG 24 5.750 6.988 1.237 430 1HG ARG 24 HG2 ARG 24 3.942 8.750 0.510 431 2HG ARG 24 HG1 ARG 24 2.974 7.300 0.236 432 1HD ARG 24 HD2 ARG 24 2.571 7.133 2.409 433 2HD ARG 24 HD1 ARG 24 4.300 7.037 2.737 434 HE ARG 24 HE ARG 24 3.121 9.681 2.366 435 1HH1 ARG 24 HH11 ARG 24 4.402 7.278 4.557 436 2HH1 ARG 24 HH12 ARG 24 4.653 8.409 5.841 437 1HH2 ARG 24 HH21 ARG 24 3.450 11.162 4.058 438 2HH2 ARG 24 HH22 ARG 24 4.112 10.610 5.561 439 H THR 25 HN THR 25 7.518 5.649 -0.797 440 HA THR 25 HA THR 25 9.577 6.926 0.615 441 HB THR 25 HB THR 25 10.357 4.855 -1.340 442 HG1 THR 25 HG1 THR 25 8.604 4.227 0.795 443 1HG2 THR 25 HG21 THR 25 10.840 5.434 1.533 444 2HG2 THR 25 HG22 THR 25 11.987 5.093 0.238 445 3HG2 THR 25 HG23 THR 25 11.037 3.784 0.942 446 H ARG 26 HN ARG 26 9.377 6.216 -2.874 447 HA ARG 26 HA ARG 26 11.690 7.457 -3.696 448 1HB ARG 26 HB2 ARG 26 10.462 7.868 -5.877 449 2HB ARG 26 HB1 ARG 26 10.492 6.207 -5.302 450 1HG ARG 26 HG2 ARG 26 8.295 6.172 -5.567 451 2HG ARG 26 HG1 ARG 26 8.180 7.280 -4.200 452 1HD ARG 26 HD2 ARG 26 7.291 8.784 -5.568 453 2HD ARG 26 HD1 ARG 26 8.834 8.869 -6.413 454 HE ARG 26 HE ARG 26 6.438 7.484 -7.272 455 1HH1 ARG 26 HH11 ARG 26 9.873 7.927 -7.729 456 2HH1 ARG 26 HH12 ARG 26 9.863 7.304 -9.343 457 1HH2 ARG 26 HH21 ARG 26 6.429 6.666 -9.394 458 2HH2 ARG 26 HH22 ARG 26 7.910 6.589 -10.289 459 H LEU 27 HN LEU 27 8.518 8.904 -3.132 460 HA LEU 27 HA LEU 27 9.180 11.508 -3.986 461 1HB LEU 27 HB2 LEU 27 6.960 10.201 -2.699 462 2HB LEU 27 HB1 LEU 27 7.295 11.727 -1.904 463 HG LEU 27 HG LEU 27 7.303 12.666 -4.359 464 1HD1 LEU 27 HD11 LEU 27 5.431 11.401 -5.600 465 2HD1 LEU 27 HD12 LEU 27 5.900 10.033 -4.590 466 3HD1 LEU 27 HD13 LEU 27 7.076 10.770 -5.677 467 1HD2 LEU 27 HD21 LEU 27 5.765 13.418 -2.682 468 2HD2 LEU 27 HD22 LEU 27 4.835 11.924 -2.796 469 3HD2 LEU 27 HD23 LEU 27 4.855 13.057 -4.149 470 H VAL 28 HN VAL 28 9.491 9.833 -0.897 471 HA VAL 28 HA VAL 28 10.198 12.043 0.689 472 HB VAL 28 HB VAL 28 11.180 9.208 0.997 473 1HG1 VAL 28 HG11 VAL 28 12.462 10.368 2.500 474 2HG1 VAL 28 HG12 VAL 28 11.041 10.037 3.490 475 3HG1 VAL 28 HG13 VAL 28 11.243 11.620 2.740 476 1HG2 VAL 28 HG21 VAL 28 8.539 10.206 1.128 477 2HG2 VAL 28 HG22 VAL 28 9.051 9.867 2.781 478 3HG2 VAL 28 HG23 VAL 28 9.118 8.597 1.559 479 H GLN 29 HN GLN 29 12.157 9.805 -1.226 480 HA GLN 29 HA GLN 29 14.694 10.695 -0.558 481 1HB GLN 29 HB2 GLN 29 13.498 9.151 -2.691 482 2HB GLN 29 HB1 GLN 29 14.763 10.192 -3.329 483 1HG GLN 29 HG2 GLN 29 15.954 8.312 -2.810 484 2HG GLN 29 HG1 GLN 29 16.150 9.254 -1.333 485 1HE2 GLN 29 HE21 GLN 29 15.153 8.588 0.540 486 2HE2 GLN 29 HE22 GLN 29 14.428 7.029 0.712 487 H GLN 30 HN GLN 30 12.280 12.076 -2.670 488 HA GLN 30 HA GLN 30 13.940 14.046 -3.868 489 1HB GLN 30 HB2 GLN 30 11.651 13.220 -4.666 490 2HB GLN 30 HB1 GLN 30 10.965 14.291 -3.452 491 1HG GLN 30 HG2 GLN 30 12.937 15.554 -5.208 492 2HG GLN 30 HG1 GLN 30 11.487 14.976 -6.025 493 1HE2 GLN 30 HE21 GLN 30 10.589 16.930 -6.459 494 2HE2 GLN 30 HE22 GLN 30 10.027 18.022 -5.244 495 H HIS 31 HN HIS 31 12.142 13.841 -0.873 496 HA HIS 31 HA HIS 31 13.343 16.383 -0.058 497 1HB HIS 31 HB2 HIS 31 11.278 17.187 0.951 498 2HB HIS 31 HB1 HIS 31 11.048 16.922 -0.773 499 HD1 HIS 31 HD1 HIS 31 10.070 14.291 -1.199 500 HD2 HIS 31 HD2 HIS 31 9.179 16.239 2.356 501 HE1 HIS 31 HE1 HIS 31 8.023 13.152 -0.300 502 HE2 HIS 31 HE2 HIS 31 7.648 14.202 1.956 503 HA PRO 32 HA PRO 32 13.951 13.036 3.086 504 1HB PRO 32 HB2 PRO 32 16.466 13.851 3.758 505 2HB PRO 32 HB1 PRO 32 16.126 12.727 2.439 506 1HG PRO 32 HG2 PRO 32 16.659 15.671 2.331 507 2HG PRO 32 HG1 PRO 32 17.270 14.383 1.274 508 1HD PRO 32 HD2 PRO 32 15.227 15.984 0.545 509 2HD PRO 32 HD1 PRO 32 15.308 14.278 0.057 510 H ARG 33 HN ARG 33 14.393 16.509 3.138 511 HA ARG 33 HA ARG 33 14.612 16.771 5.964 512 1HB ARG 33 HB2 ARG 33 13.983 18.695 3.739 513 2HB ARG 33 HB1 ARG 33 13.931 19.196 5.423 514 1HG ARG 33 HG2 ARG 33 16.070 19.764 4.980 515 2HG ARG 33 HG1 ARG 33 16.347 18.075 5.408 516 1HD ARG 33 HD2 ARG 33 17.530 18.567 3.374 517 2HD ARG 33 HD1 ARG 33 16.185 17.489 3.007 518 HE ARG 33 HE ARG 33 15.175 19.978 2.575 519 1HH1 ARG 33 HH11 ARG 33 17.966 18.245 1.396 520 2HH1 ARG 33 HH12 ARG 33 17.982 19.059 -0.131 521 1HH2 ARG 33 HH21 ARG 33 15.194 21.050 0.564 522 2HH2 ARG 33 HH22 ARG 33 16.410 20.652 -0.604 Start of MODEL 12 1 H CYS 1 HT1 CYS 1 12.326 27.508 -3.621 2 HA CYS 1 HA CYS 1 9.932 29.215 -3.531 3 1HB CYS 1 HB2 CYS 1 11.390 27.640 -5.601 4 2HB CYS 1 HB1 CYS 1 9.632 27.663 -5.681 5 HG CYS 1 HG CYS 1 10.493 30.479 -5.514 6 H GLY 2 HN GLY 2 10.701 25.841 -4.364 7 1HA GLY 2 HA2 GLY 2 8.257 24.848 -3.341 8 2HA GLY 2 HA1 GLY 2 9.650 23.879 -3.795 9 H GLY 3 HN GLY 3 7.988 23.277 -1.614 10 1HA GLY 3 HA2 GLY 3 9.983 23.372 0.519 11 2HA GLY 3 HA1 GLY 3 8.399 24.043 0.881 12 H ASP 4 HN ASP 4 6.859 22.709 1.598 13 HA ASP 4 HA ASP 4 7.489 19.858 1.733 14 1HB ASP 4 HB2 ASP 4 5.343 21.469 3.114 15 2HB ASP 4 HB1 ASP 4 5.661 19.758 3.381 16 H ASN 5 HN ASN 5 6.257 21.494 -0.604 17 HA ASN 5 HA ASN 5 3.639 20.725 -1.078 18 1HB ASN 5 HB2 ASN 5 4.881 22.317 -2.502 19 2HB ASN 5 HB1 ASN 5 5.862 20.991 -3.118 20 1HD2 ASN 5 HD21 ASN 5 2.385 21.306 -2.507 21 2HD2 ASN 5 HD22 ASN 5 1.892 20.918 -4.117 22 H ILE 6 HN ILE 6 6.586 18.920 -1.249 23 HA ILE 6 HA ILE 6 5.476 16.681 -2.672 24 HB ILE 6 HB ILE 6 8.002 16.724 -1.031 25 1HG1 ILE 6 HG12 ILE 6 7.708 17.439 -3.958 26 2HG1 ILE 6 HG11 ILE 6 7.941 18.613 -2.666 27 1HG2 ILE 6 HG21 ILE 6 7.237 15.094 -3.445 28 2HG2 ILE 6 HG22 ILE 6 7.150 14.535 -1.775 29 3HG2 ILE 6 HG23 ILE 6 8.712 14.941 -2.490 30 1HD1 ILE 6 HD11 ILE 6 9.911 16.412 -2.910 31 2HD1 ILE 6 HD12 ILE 6 10.134 18.084 -2.397 32 3HD1 ILE 6 HD13 ILE 6 9.948 17.703 -4.109 33 H GLU 7 HN GLU 7 6.365 17.443 0.660 34 HA GLU 7 HA GLU 7 5.815 15.008 1.871 35 1HB GLU 7 HB2 GLU 7 6.637 17.443 2.754 36 2HB GLU 7 HB1 GLU 7 5.002 17.397 3.399 37 1HG GLU 7 HG2 GLU 7 5.448 15.557 4.740 38 2HG GLU 7 HG1 GLU 7 6.870 15.098 3.804 39 H GLN 8 HN GLN 8 3.663 17.439 0.656 40 HA GLN 8 HA GLN 8 1.335 16.495 2.041 41 1HB GLN 8 HB2 GLN 8 1.895 18.832 0.875 42 2HB GLN 8 HB1 GLN 8 1.098 18.053 -0.485 43 1HG GLN 8 HG2 GLN 8 -0.731 17.515 1.330 44 2HG GLN 8 HG1 GLN 8 -0.013 18.912 2.131 45 1HE2 GLN 8 HE21 GLN 8 -2.443 19.402 1.610 46 2HE2 GLN 8 HE22 GLN 8 -2.690 20.329 0.174 47 H LYS 9 HN LYS 9 2.732 16.104 -1.170 48 HA LYS 9 HA LYS 9 0.636 14.631 -2.322 49 1HB LYS 9 HB2 LYS 9 2.882 15.694 -3.307 50 2HB LYS 9 HB1 LYS 9 3.433 14.033 -3.133 51 1HG LYS 9 HG2 LYS 9 1.168 13.514 -4.377 52 2HG LYS 9 HG1 LYS 9 1.375 15.173 -4.942 53 1HD LYS 9 HD2 LYS 9 2.602 14.199 -6.564 54 2HD LYS 9 HD1 LYS 9 3.867 14.198 -5.333 55 1HE LYS 9 HE2 LYS 9 3.952 12.002 -5.895 56 2HE LYS 9 HE1 LYS 9 2.671 11.906 -4.688 57 1HZ LYS 9 HZ1 LYS 9 1.094 12.231 -6.623 58 2HZ LYS 9 HZ2 LYS 9 1.878 10.735 -6.532 59 3HZ LYS 9 HZ3 LYS 9 2.410 11.902 -7.635 60 H ILE 10 HN ILE 10 3.433 13.653 -0.413 61 HA ILE 10 HA ILE 10 3.052 10.858 -0.796 62 HB ILE 10 HB ILE 10 4.490 10.620 1.248 63 1HG1 ILE 10 HG12 ILE 10 4.812 13.612 0.975 64 2HG1 ILE 10 HG11 ILE 10 3.879 12.825 2.245 65 1HG2 ILE 10 HG21 ILE 10 6.531 11.444 0.088 66 2HG2 ILE 10 HG22 ILE 10 5.483 12.245 -1.082 67 3HG2 ILE 10 HG23 ILE 10 5.459 10.488 -0.935 68 1HD1 ILE 10 HD11 ILE 10 6.044 13.430 3.082 69 2HD1 ILE 10 HD12 ILE 10 6.833 12.562 1.765 70 3HD1 ILE 10 HD13 ILE 10 5.922 11.673 2.986 71 H ASP 11 HN ASP 11 2.094 13.132 1.760 72 HA ASP 11 HA ASP 11 1.059 11.384 3.623 73 1HB ASP 11 HB2 ASP 11 1.101 14.076 3.409 74 2HB ASP 11 HB1 ASP 11 -0.599 13.779 3.060 75 H ASP 12 HN ASP 12 -0.262 12.432 0.571 76 HA ASP 12 HA ASP 12 -2.868 11.344 0.911 77 1HB ASP 12 HB2 ASP 12 -1.259 12.398 -1.355 78 2HB ASP 12 HB1 ASP 12 -2.570 11.297 -1.769 79 H ILE 13 HN ILE 13 0.112 10.176 -0.586 80 HA ILE 13 HA ILE 13 -0.840 7.686 -1.454 81 HB ILE 13 HB ILE 13 1.961 8.295 -0.504 82 1HG1 ILE 13 HG12 ILE 13 0.684 8.726 -3.210 83 2HG1 ILE 13 HG11 ILE 13 1.305 9.968 -2.128 84 1HG2 ILE 13 HG21 ILE 13 0.860 5.901 -1.284 85 2HG2 ILE 13 HG22 ILE 13 2.577 6.301 -1.304 86 3HG2 ILE 13 HG23 ILE 13 1.609 6.494 -2.767 87 1HD1 ILE 13 HD11 ILE 13 3.396 8.127 -2.633 88 2HD1 ILE 13 HD12 ILE 13 3.278 9.824 -3.103 89 3HD1 ILE 13 HD13 ILE 13 2.660 8.567 -4.175 90 H ASP 14 HN ASP 14 0.711 8.670 1.591 91 HA ASP 14 HA ASP 14 0.942 6.251 2.870 92 1HB ASP 14 HB2 ASP 14 1.383 8.784 3.626 93 2HB ASP 14 HB1 ASP 14 -0.116 8.496 4.504 94 H HIS 15 HN HIS 15 -1.952 8.151 2.328 95 HA HIS 15 HA HIS 15 -3.614 6.604 4.074 96 1HB HIS 15 HB2 HIS 15 -3.976 9.022 3.196 97 2HB HIS 15 HB1 HIS 15 -4.635 8.235 1.765 98 HD1 HIS 15 HD1 HIS 15 -5.702 5.983 4.137 99 HD2 HIS 15 HD2 HIS 15 -6.781 9.921 3.359 100 HE1 HIS 15 HE1 HIS 15 -7.986 6.267 5.151 101 HE2 HIS 15 HE2 HIS 15 -8.580 8.682 4.746 102 H GLU 16 HN GLU 16 -2.586 6.416 0.761 103 HA GLU 16 HA GLU 16 -4.598 4.468 0.048 104 1HB GLU 16 HB2 GLU 16 -2.167 5.169 -1.581 105 2HB GLU 16 HB1 GLU 16 -3.717 4.555 -2.144 106 1HG GLU 16 HG2 GLU 16 -4.777 6.620 -1.822 107 2HG GLU 16 HG1 GLU 16 -3.463 7.231 -0.817 108 H ILE 17 HN ILE 17 -1.222 4.536 0.953 109 HA ILE 17 HA ILE 17 -0.531 1.902 0.233 110 HB ILE 17 HB ILE 17 0.624 3.484 2.532 111 1HG1 ILE 17 HG12 ILE 17 1.827 3.475 -0.202 112 2HG1 ILE 17 HG11 ILE 17 0.478 4.557 0.119 113 1HG2 ILE 17 HG21 ILE 17 1.325 0.986 1.167 114 2HG2 ILE 17 HG22 ILE 17 1.744 1.557 2.782 115 3HG2 ILE 17 HG23 ILE 17 2.668 2.109 1.385 116 1HD1 ILE 17 HD11 ILE 17 1.819 5.997 1.118 117 2HD1 ILE 17 HD12 ILE 17 3.185 4.986 0.648 118 3HD1 ILE 17 HD13 ILE 17 2.416 4.755 2.218 119 H ALA 18 HN ALA 18 -2.108 3.282 3.029 120 HA ALA 18 HA ALA 18 -1.944 0.887 4.616 121 1HB ALA 18 HB1 ALA 18 -2.115 2.563 6.103 122 2HB ALA 18 HB2 ALA 18 -3.848 2.386 5.837 123 3HB ALA 18 HB3 ALA 18 -2.945 3.625 4.965 124 H ASP 19 HN ASP 19 -4.397 2.494 2.640 125 HA ASP 19 HA ASP 19 -6.623 0.990 3.311 126 1HB ASP 19 HB2 ASP 19 -6.144 2.983 1.538 127 2HB ASP 19 HB1 ASP 19 -6.329 1.622 0.436 128 H LEU 20 HN LEU 20 -4.084 0.270 0.951 129 HA LEU 20 HA LEU 20 -5.276 -2.115 -0.019 130 1HB LEU 20 HB2 LEU 20 -2.335 -1.489 -0.042 131 2HB LEU 20 HB1 LEU 20 -3.223 -2.517 -1.149 132 HG LEU 20 HG LEU 20 -3.180 0.481 -1.013 133 1HD1 LEU 20 HD11 LEU 20 -2.814 0.088 -3.504 134 2HD1 LEU 20 HD12 LEU 20 -2.546 -1.602 -3.076 135 3HD1 LEU 20 HD13 LEU 20 -1.499 -0.347 -2.413 136 1HD2 LEU 20 HD21 LEU 20 -5.536 -0.229 -1.138 137 2HD2 LEU 20 HD22 LEU 20 -5.152 -1.196 -2.561 138 3HD2 LEU 20 HD23 LEU 20 -4.992 0.560 -2.619 139 H GLN 21 HN GLN 21 -2.549 -1.589 2.218 140 HA GLN 21 HA GLN 21 -2.015 -4.217 2.860 141 1HB GLN 21 HB2 GLN 21 -0.806 -2.057 3.583 142 2HB GLN 21 HB1 GLN 21 -1.930 -2.042 4.937 143 1HG GLN 21 HG2 GLN 21 -1.118 -4.169 5.702 144 2HG GLN 21 HG1 GLN 21 -0.092 -4.331 4.277 145 1HE2 GLN 21 HE21 GLN 21 1.867 -4.377 5.231 146 2HE2 GLN 21 HE22 GLN 21 2.527 -3.084 6.166 147 H ALA 22 HN ALA 22 -4.585 -2.150 4.044 148 HA ALA 22 HA ALA 22 -5.390 -3.876 6.172 149 1HB ALA 22 HB1 ALA 22 -7.386 -2.044 4.999 150 2HB ALA 22 HB2 ALA 22 -5.905 -1.304 5.608 151 3HB ALA 22 HB3 ALA 22 -6.907 -2.281 6.681 152 H LYS 23 HN LYS 23 -6.138 -3.627 2.775 153 HA LYS 23 HA LYS 23 -8.497 -5.229 2.847 154 1HB LYS 23 HB2 LYS 23 -6.920 -3.839 0.857 155 2HB LYS 23 HB1 LYS 23 -7.403 -5.427 0.278 156 1HG LYS 23 HG2 LYS 23 -9.170 -4.152 -0.414 157 2HG LYS 23 HG1 LYS 23 -9.756 -4.703 1.156 158 1HD LYS 23 HD2 LYS 23 -10.158 -2.519 1.517 159 2HD LYS 23 HD1 LYS 23 -8.427 -2.440 1.855 160 1HE LYS 23 HE2 LYS 23 -7.985 -1.292 -0.027 161 2HE LYS 23 HE1 LYS 23 -9.135 -2.225 -0.985 162 1HZ LYS 23 HZ1 LYS 23 -9.751 0.130 -0.750 163 2HZ LYS 23 HZ2 LYS 23 -9.888 -0.078 0.923 164 3HZ LYS 23 HZ3 LYS 23 -10.928 -0.910 -0.119 165 H ARG 24 HN ARG 24 -5.075 -5.882 2.392 166 HA ARG 24 HA ARG 24 -5.345 -8.553 1.495 167 1HB ARG 24 HB2 ARG 24 -3.198 -6.763 2.262 168 2HB ARG 24 HB1 ARG 24 -2.906 -8.391 2.855 169 1HG ARG 24 HG2 ARG 24 -3.572 -9.044 0.392 170 2HG ARG 24 HG1 ARG 24 -3.067 -7.386 0.069 171 1HD ARG 24 HD2 ARG 24 -0.942 -8.011 0.113 172 2HD ARG 24 HD1 ARG 24 -1.134 -8.582 1.769 173 HE ARG 24 HE ARG 24 -2.013 -10.389 -0.327 174 1HH1 ARG 24 HH11 ARG 24 0.538 -9.474 1.879 175 2HH1 ARG 24 HH12 ARG 24 1.317 -11.018 1.810 176 1HH2 ARG 24 HH21 ARG 24 -0.985 -12.416 -0.415 177 2HH2 ARG 24 HH22 ARG 24 0.455 -12.687 0.509 178 H THR 25 HN THR 25 -4.850 -7.161 4.724 179 HA THR 25 HA THR 25 -4.608 -9.593 6.112 180 HB THR 25 HB THR 25 -5.907 -7.375 7.548 181 HG1 THR 25 HG1 THR 25 -4.015 -6.093 7.436 182 1HG2 THR 25 HG21 THR 25 -4.324 -7.779 9.208 183 2HG2 THR 25 HG22 THR 25 -3.216 -8.567 8.086 184 3HG2 THR 25 HG23 THR 25 -4.708 -9.375 8.566 185 H ARG 26 HN ARG 26 -7.436 -7.430 5.860 186 HA ARG 26 HA ARG 26 -9.283 -8.963 7.192 187 1HB ARG 26 HB2 ARG 26 -11.006 -7.805 5.957 188 2HB ARG 26 HB1 ARG 26 -9.698 -6.683 6.307 189 1HG ARG 26 HG2 ARG 26 -8.886 -6.844 4.051 190 2HG ARG 26 HG1 ARG 26 -10.066 -8.102 3.677 191 1HD ARG 26 HD2 ARG 26 -11.517 -5.925 4.717 192 2HD ARG 26 HD1 ARG 26 -10.356 -5.250 3.576 193 HE ARG 26 HE ARG 26 -11.485 -6.269 1.853 194 1HH1 ARG 26 HH11 ARG 26 -12.653 -7.515 4.899 195 2HH1 ARG 26 HH12 ARG 26 -13.995 -8.344 4.186 196 1HH2 ARG 26 HH21 ARG 26 -13.250 -7.360 0.917 197 2HH2 ARG 26 HH22 ARG 26 -14.334 -8.257 1.927 198 H LEU 27 HN LEU 27 -8.191 -9.268 3.862 199 HA LEU 27 HA LEU 27 -10.033 -11.281 3.098 200 1HB LEU 27 HB2 LEU 27 -7.429 -10.274 2.025 201 2HB LEU 27 HB1 LEU 27 -8.090 -11.770 1.393 202 HG LEU 27 HG LEU 27 -9.742 -9.264 1.450 203 1HD1 LEU 27 HD11 LEU 27 -7.470 -8.984 0.275 204 2HD1 LEU 27 HD12 LEU 27 -8.934 -8.547 -0.607 205 3HD1 LEU 27 HD13 LEU 27 -8.130 -10.082 -0.937 206 1HD2 LEU 27 HD21 LEU 27 -11.179 -10.385 0.106 207 2HD2 LEU 27 HD22 LEU 27 -10.466 -11.778 0.920 208 3HD2 LEU 27 HD23 LEU 27 -9.899 -11.307 -0.683 209 H VAL 28 HN VAL 28 -6.792 -11.333 4.508 210 HA VAL 28 HA VAL 28 -6.322 -14.096 4.322 211 HB VAL 28 HB VAL 28 -5.385 -12.272 6.529 212 1HG1 VAL 28 HG11 VAL 28 -4.868 -14.444 7.189 213 2HG1 VAL 28 HG12 VAL 28 -3.391 -13.894 6.398 214 3HG1 VAL 28 HG13 VAL 28 -4.505 -14.960 5.542 215 1HG2 VAL 28 HG21 VAL 28 -4.214 -11.156 5.003 216 2HG2 VAL 28 HG22 VAL 28 -4.797 -12.218 3.723 217 3HG2 VAL 28 HG23 VAL 28 -3.346 -12.643 4.629 218 H GLN 29 HN GLN 29 -7.776 -12.153 6.906 219 HA GLN 29 HA GLN 29 -8.239 -14.142 8.775 220 1HB GLN 29 HB2 GLN 29 -9.233 -11.471 8.250 221 2HB GLN 29 HB1 GLN 29 -10.518 -12.504 8.860 222 1HG GLN 29 HG2 GLN 29 -9.618 -12.641 10.914 223 2HG GLN 29 HG1 GLN 29 -7.964 -12.676 10.306 224 1HE2 GLN 29 HE21 GLN 29 -6.815 -11.006 10.926 225 2HE2 GLN 29 HE22 GLN 29 -7.396 -9.400 11.186 226 H GLN 30 HN GLN 30 -9.920 -13.374 5.815 227 HA GLN 30 HA GLN 30 -12.205 -14.992 6.243 228 1HB GLN 30 HB2 GLN 30 -11.654 -13.145 4.424 229 2HB GLN 30 HB1 GLN 30 -11.134 -14.542 3.493 230 1HG GLN 30 HG2 GLN 30 -13.264 -15.440 3.404 231 2HG GLN 30 HG1 GLN 30 -13.823 -14.509 4.792 232 1HE2 GLN 30 HE21 GLN 30 -14.173 -14.812 1.597 233 2HE2 GLN 30 HE22 GLN 30 -14.590 -13.191 1.169 234 H HIS 31 HN HIS 31 -8.958 -15.614 5.083 235 HA HIS 31 HA HIS 31 -9.593 -18.478 5.089 236 1HB HIS 31 HB2 HIS 31 -8.328 -18.876 3.045 237 2HB HIS 31 HB1 HIS 31 -9.653 -17.761 2.736 238 HD1 HIS 31 HD1 HIS 31 -8.724 -15.092 3.057 239 HD2 HIS 31 HD2 HIS 31 -6.076 -18.040 1.823 240 HE1 HIS 31 HE1 HIS 31 -6.851 -13.878 1.912 241 HE2 HIS 31 HE2 HIS 31 -5.158 -15.667 1.393 242 HA PRO 32 HA PRO 32 -5.837 -17.647 7.613 243 1HB PRO 32 HB2 PRO 32 -6.340 -19.620 9.414 244 2HB PRO 32 HB1 PRO 32 -7.036 -18.000 9.540 245 1HG PRO 32 HG2 PRO 32 -8.264 -20.512 8.471 246 2HG PRO 32 HG1 PRO 32 -8.979 -19.278 9.524 247 1HD PRO 32 HD2 PRO 32 -9.476 -19.379 6.868 248 2HD PRO 32 HD1 PRO 32 -9.414 -17.849 7.766 249 H ARG 33 HN ARG 33 -7.116 -20.479 6.054 250 HA ARG 33 HA ARG 33 -5.069 -22.316 6.508 251 1HB ARG 33 HB2 ARG 33 -6.897 -21.935 4.137 252 2HB ARG 33 HB1 ARG 33 -5.796 -23.296 4.288 253 1HG ARG 33 HG2 ARG 33 -7.745 -24.193 5.093 254 2HG ARG 33 HG1 ARG 33 -6.977 -23.643 6.584 255 1HD ARG 33 HD2 ARG 33 -8.586 -22.143 6.983 256 2HD ARG 33 HD1 ARG 33 -8.605 -21.590 5.309 257 HE ARG 33 HE ARG 33 -9.858 -23.979 5.176 258 1HH1 ARG 33 HH11 ARG 33 -10.316 -21.164 7.187 259 2HH1 ARG 33 HH12 ARG 33 -12.019 -21.419 7.374 260 1HH2 ARG 33 HH21 ARG 33 -12.097 -24.317 5.419 261 2HH2 ARG 33 HH22 ARG 33 -13.030 -23.209 6.370 262 H CYS 1 HN CYS 1 -14.857 -24.657 0.707 263 HA CYS 1 HA CYS 1 -16.070 -24.774 -1.662 264 1HB CYS 1 HB2 CYS 1 -17.597 -22.656 -0.148 265 2HB CYS 1 HB1 CYS 1 -17.893 -23.237 -1.784 266 HG CYS 1 HG CYS 1 -18.274 -25.460 0.213 267 H GLY 2 HN GLY 2 -15.024 -23.480 -3.073 268 1HA GLY 2 HA2 GLY 2 -14.074 -21.425 -3.795 269 2HA GLY 2 HA1 GLY 2 -13.910 -20.942 -2.114 270 H GLY 3 HN GLY 3 -12.240 -21.982 -0.830 271 1HA GLY 3 HA2 GLY 3 -10.270 -23.345 -0.685 272 2HA GLY 3 HA1 GLY 3 -10.101 -23.218 -2.429 273 H ASP 4 HN ASP 4 -8.340 -22.112 -2.932 274 HA ASP 4 HA ASP 4 -7.379 -20.016 -1.143 275 1HB ASP 4 HB2 ASP 4 -6.116 -21.250 -3.591 276 2HB ASP 4 HB1 ASP 4 -5.347 -20.069 -2.535 277 H ASN 5 HN ASN 5 -9.675 -19.900 -3.243 278 HA ASN 5 HA ASN 5 -9.044 -18.171 -5.309 279 1HB ASN 5 HB2 ASN 5 -11.486 -18.914 -3.847 280 2HB ASN 5 HB1 ASN 5 -11.546 -17.310 -4.576 281 1HD2 ASN 5 HD21 ASN 5 -10.388 -17.438 -6.886 282 2HD2 ASN 5 HD22 ASN 5 -11.070 -18.647 -7.914 283 H ILE 6 HN ILE 6 -9.383 -17.580 -1.916 284 HA ILE 6 HA ILE 6 -9.469 -14.709 -2.152 285 HB ILE 6 HB ILE 6 -8.888 -16.343 0.314 286 1HG1 ILE 6 HG12 ILE 6 -11.609 -15.299 0.013 287 2HG1 ILE 6 HG11 ILE 6 -11.199 -16.513 -1.194 288 1HG2 ILE 6 HG21 ILE 6 -8.386 -13.917 0.382 289 2HG2 ILE 6 HG22 ILE 6 -9.632 -14.413 1.528 290 3HG2 ILE 6 HG23 ILE 6 -10.085 -13.593 0.035 291 1HD1 ILE 6 HD11 ILE 6 -11.138 -16.812 1.794 292 2HD1 ILE 6 HD12 ILE 6 -10.492 -18.009 0.671 293 3HD1 ILE 6 HD13 ILE 6 -12.211 -17.616 0.648 294 H GLU 7 HN GLU 7 -7.124 -17.181 -1.219 295 HA GLU 7 HA GLU 7 -4.999 -15.545 -0.481 296 1HB GLU 7 HB2 GLU 7 -5.363 -18.210 -0.571 297 2HB GLU 7 HB1 GLU 7 -4.343 -18.013 -1.991 298 1HG GLU 7 HG2 GLU 7 -2.637 -16.936 -0.640 299 2HG GLU 7 HG1 GLU 7 -3.664 -17.071 0.786 300 H GLN 8 HN GLN 8 -6.197 -16.420 -3.632 301 HA GLN 8 HA GLN 8 -3.900 -15.461 -5.064 302 1HB GLN 8 HB2 GLN 8 -5.778 -17.182 -5.772 303 2HB GLN 8 HB1 GLN 8 -6.587 -15.729 -6.342 304 1HG GLN 8 HG2 GLN 8 -5.391 -16.687 -8.164 305 2HG GLN 8 HG1 GLN 8 -4.576 -15.199 -7.689 306 1HE2 GLN 8 HE21 GLN 8 -2.492 -15.475 -8.040 307 2HE2 GLN 8 HE22 GLN 8 -1.552 -16.842 -7.555 308 H LYS 9 HN LYS 9 -7.094 -14.241 -4.225 309 HA LYS 9 HA LYS 9 -6.991 -11.856 -5.711 310 1HB LYS 9 HB2 LYS 9 -8.907 -13.076 -4.256 311 2HB LYS 9 HB1 LYS 9 -8.434 -11.817 -3.125 312 1HG LYS 9 HG2 LYS 9 -9.161 -10.119 -4.497 313 2HG LYS 9 HG1 LYS 9 -9.024 -11.099 -5.958 314 1HD LYS 9 HD2 LYS 9 -11.262 -11.265 -5.771 315 2HD LYS 9 HD1 LYS 9 -10.885 -12.500 -4.568 316 1HE LYS 9 HE2 LYS 9 -11.021 -10.820 -2.798 317 2HE LYS 9 HE1 LYS 9 -11.383 -9.580 -3.998 318 1HZ LYS 9 HZ1 LYS 9 -13.064 -11.977 -3.506 319 2HZ LYS 9 HZ2 LYS 9 -13.428 -10.680 -4.529 320 3HZ LYS 9 HZ3 LYS 9 -13.368 -10.445 -2.855 321 H ILE 10 HN ILE 10 -5.863 -12.686 -2.480 322 HA ILE 10 HA ILE 10 -5.217 -10.017 -1.725 323 HB ILE 10 HB ILE 10 -3.787 -11.101 0.020 324 1HG1 ILE 10 HG12 ILE 10 -5.019 -13.665 -0.996 325 2HG1 ILE 10 HG11 ILE 10 -3.345 -13.193 -1.269 326 1HG2 ILE 10 HG21 ILE 10 -5.955 -10.451 0.654 327 2HG2 ILE 10 HG22 ILE 10 -5.782 -12.111 1.222 328 3HG2 ILE 10 HG23 ILE 10 -6.700 -11.773 -0.245 329 1HD1 ILE 10 HD11 ILE 10 -2.993 -13.158 1.166 330 2HD1 ILE 10 HD12 ILE 10 -3.459 -14.744 0.554 331 3HD1 ILE 10 HD13 ILE 10 -4.644 -13.736 1.384 332 H ASP 11 HN ASP 11 -3.327 -12.711 -3.073 333 HA ASP 11 HA ASP 11 -0.789 -11.635 -2.946 334 1HB ASP 11 HB2 ASP 11 -1.664 -13.914 -3.923 335 2HB ASP 11 HB1 ASP 11 -1.659 -13.037 -5.450 336 H ASP 12 HN ASP 12 -3.425 -10.900 -5.103 337 HA ASP 12 HA ASP 12 -1.958 -9.307 -6.946 338 1HB ASP 12 HB2 ASP 12 -4.838 -9.739 -6.307 339 2HB ASP 12 HB1 ASP 12 -4.415 -8.271 -7.183 340 H ILE 13 HN ILE 13 -3.875 -8.604 -4.065 341 HA ILE 13 HA ILE 13 -3.570 -5.814 -4.083 342 HB ILE 13 HB ILE 13 -3.838 -7.574 -1.643 343 1HG1 ILE 13 HG12 ILE 13 -5.942 -6.466 -3.508 344 2HG1 ILE 13 HG11 ILE 13 -5.589 -8.161 -3.191 345 1HG2 ILE 13 HG21 ILE 13 -4.125 -5.715 -0.439 346 2HG2 ILE 13 HG22 ILE 13 -5.184 -4.993 -1.651 347 3HG2 ILE 13 HG23 ILE 13 -3.434 -4.856 -1.815 348 1HD1 ILE 13 HD11 ILE 13 -7.043 -6.181 -1.518 349 2HD1 ILE 13 HD12 ILE 13 -6.196 -7.513 -0.733 350 3HD1 ILE 13 HD13 ILE 13 -7.459 -7.847 -1.918 351 H ASP 14 HN ASP 14 -1.661 -8.383 -2.541 352 HA ASP 14 HA ASP 14 0.156 -6.908 -1.104 353 1HB ASP 14 HB2 ASP 14 -0.096 -9.525 -1.611 354 2HB ASP 14 HB1 ASP 14 1.257 -9.174 -2.683 355 H HIS 15 HN HIS 15 0.016 -7.408 -4.568 356 HA HIS 15 HA HIS 15 2.592 -6.272 -5.099 357 1HB HIS 15 HB2 HIS 15 1.266 -7.891 -6.586 358 2HB HIS 15 HB1 HIS 15 0.322 -6.486 -7.070 359 HD1 HIS 15 HD1 HIS 15 3.676 -5.358 -6.587 360 HD2 HIS 15 HD2 HIS 15 1.667 -7.379 -9.611 361 HE1 HIS 15 HE1 HIS 15 5.093 -5.072 -8.645 362 HE2 HIS 15 HE2 HIS 15 3.902 -6.377 -10.440 363 H GLU 16 HN GLU 16 -0.653 -5.090 -4.717 364 HA GLU 16 HA GLU 16 -0.042 -2.499 -5.846 365 1HB GLU 16 HB2 GLU 16 -2.505 -3.189 -4.262 366 2HB GLU 16 HB1 GLU 16 -2.315 -1.958 -5.504 367 1HG GLU 16 HG2 GLU 16 -1.988 -4.857 -6.164 368 2HG GLU 16 HG1 GLU 16 -3.589 -4.126 -6.061 369 H ILE 17 HN ILE 17 -0.319 -3.984 -2.695 370 HA ILE 17 HA ILE 17 -0.396 -1.641 -1.128 371 HB ILE 17 HB ILE 17 0.812 -4.291 -0.330 372 1HG1 ILE 17 HG12 ILE 17 -2.019 -3.546 0.262 373 2HG1 ILE 17 HG11 ILE 17 -1.631 -4.191 -1.327 374 1HG2 ILE 17 HG21 ILE 17 1.274 -3.087 1.507 375 2HG2 ILE 17 HG22 ILE 17 -0.444 -3.278 1.858 376 3HG2 ILE 17 HG23 ILE 17 0.138 -1.809 1.076 377 1HD1 ILE 17 HD11 ILE 17 -1.606 -6.250 -0.530 378 2HD1 ILE 17 HD12 ILE 17 -2.160 -5.611 1.017 379 3HD1 ILE 17 HD13 ILE 17 -0.433 -5.809 0.710 380 H ALA 18 HN ALA 18 2.200 -3.481 -2.581 381 HA ALA 18 HA ALA 18 4.300 -2.095 -1.184 382 1HB ALA 18 HB1 ALA 18 5.544 -3.297 -3.279 383 2HB ALA 18 HB2 ALA 18 4.098 -4.295 -3.116 384 3HB ALA 18 HB3 ALA 18 5.184 -4.084 -1.742 385 H ASP 19 HN ASP 19 2.773 -1.913 -4.360 386 HA ASP 19 HA ASP 19 4.540 -0.217 -5.658 387 1HB ASP 19 HB2 ASP 19 2.183 -1.355 -6.329 388 2HB ASP 19 HB1 ASP 19 1.662 0.313 -6.109 389 H LEU 20 HN LEU 20 1.855 0.597 -3.494 390 HA LEU 20 HA LEU 20 2.123 3.407 -3.765 391 1HB LEU 20 HB2 LEU 20 0.989 2.006 -1.362 392 2HB LEU 20 HB1 LEU 20 0.580 3.593 -1.981 393 HG LEU 20 HG LEU 20 -0.185 0.913 -3.109 394 1HD1 LEU 20 HD11 LEU 20 -1.715 3.290 -2.080 395 2HD1 LEU 20 HD12 LEU 20 -1.654 1.666 -1.398 396 3HD1 LEU 20 HD13 LEU 20 -2.460 1.944 -2.942 397 1HD2 LEU 20 HD21 LEU 20 -0.347 3.622 -4.413 398 2HD2 LEU 20 HD22 LEU 20 -1.298 2.230 -4.929 399 3HD2 LEU 20 HD23 LEU 20 0.462 2.178 -5.021 400 H GLN 21 HN GLN 21 3.132 1.178 -1.172 401 HA GLN 21 HA GLN 21 4.357 2.983 0.508 402 1HB GLN 21 HB2 GLN 21 4.080 0.282 0.483 403 2HB GLN 21 HB1 GLN 21 5.804 0.432 0.171 404 1HG GLN 21 HG2 GLN 21 4.730 2.073 2.372 405 2HG GLN 21 HG1 GLN 21 4.740 0.328 2.624 406 1HE2 GLN 21 HE21 GLN 21 6.425 2.990 3.253 407 2HE2 GLN 21 HE22 GLN 21 8.034 2.359 3.279 408 H ALA 22 HN ALA 22 5.615 1.528 -2.433 409 HA ALA 22 HA ALA 22 8.283 2.480 -2.115 410 1HB ALA 22 HB1 ALA 22 8.728 1.369 -4.028 411 2HB ALA 22 HB2 ALA 22 7.294 1.987 -4.849 412 3HB ALA 22 HB3 ALA 22 7.154 0.637 -3.721 413 H LYS 23 HN LYS 23 5.343 3.818 -3.414 414 HA LYS 23 HA LYS 23 6.561 5.919 -4.907 415 1HB LYS 23 HB2 LYS 23 3.940 4.924 -4.481 416 2HB LYS 23 HB1 LYS 23 3.921 6.629 -4.056 417 1HG LYS 23 HG2 LYS 23 3.547 6.925 -6.243 418 2HG LYS 23 HG1 LYS 23 5.293 6.710 -6.385 419 1HD LYS 23 HD2 LYS 23 4.738 5.103 -7.859 420 2HD LYS 23 HD1 LYS 23 4.448 4.131 -6.415 421 1HE LYS 23 HE2 LYS 23 2.410 3.820 -7.306 422 2HE LYS 23 HE1 LYS 23 2.075 5.425 -6.660 423 1HZ LYS 23 HZ1 LYS 23 2.792 6.333 -8.838 424 2HZ LYS 23 HZ2 LYS 23 1.402 5.374 -8.927 425 3HZ LYS 23 HZ3 LYS 23 2.891 4.751 -9.432 426 H ARG 24 HN ARG 24 5.414 5.581 -1.605 427 HA ARG 24 HA ARG 24 5.524 8.337 -0.932 428 1HB ARG 24 HB2 ARG 24 5.023 5.818 0.430 429 2HB ARG 24 HB1 ARG 24 5.955 6.924 1.430 430 1HG ARG 24 HG2 ARG 24 4.124 8.645 0.680 431 2HG ARG 24 HG1 ARG 24 3.184 7.180 0.388 432 1HD ARG 24 HD2 ARG 24 2.732 7.034 2.553 433 2HD ARG 24 HD1 ARG 24 4.454 6.909 2.907 434 HE ARG 24 HE ARG 24 3.410 9.589 2.511 435 1HH1 ARG 24 HH11 ARG 24 4.308 7.095 4.788 436 2HH1 ARG 24 HH12 ARG 24 4.464 8.194 6.116 437 1HH2 ARG 24 HH21 ARG 24 3.613 11.028 4.259 438 2HH2 ARG 24 HH22 ARG 24 4.070 10.424 5.817 439 H THR 25 HN THR 25 7.819 5.661 -0.500 440 HA THR 25 HA THR 25 9.778 7.103 0.900 441 HB THR 25 HB THR 25 10.704 4.986 -0.939 442 HG1 THR 25 HG1 THR 25 8.938 3.881 -0.532 443 1HG2 THR 25 HG21 THR 25 11.659 4.057 1.128 444 2HG2 THR 25 HG22 THR 25 10.938 5.390 2.030 445 3HG2 THR 25 HG23 THR 25 12.173 5.714 0.814 446 H ARG 26 HN ARG 26 9.660 6.258 -2.566 447 HA ARG 26 HA ARG 26 11.937 7.550 -3.410 448 1HB ARG 26 HB2 ARG 26 10.879 7.720 -5.620 449 2HB ARG 26 HB1 ARG 26 10.591 6.148 -4.889 450 1HG ARG 26 HG2 ARG 26 8.348 6.896 -4.215 451 2HG ARG 26 HG1 ARG 26 8.642 8.439 -5.020 452 1HD ARG 26 HD2 ARG 26 8.383 5.706 -6.243 453 2HD ARG 26 HD1 ARG 26 7.414 7.145 -6.559 454 HE ARG 26 HE ARG 26 9.948 6.462 -7.736 455 1HH1 ARG 26 HH11 ARG 26 7.755 9.067 -6.969 456 2HH1 ARG 26 HH12 ARG 26 8.376 10.118 -8.197 457 1HH2 ARG 26 HH21 ARG 26 10.766 7.844 -9.351 458 2HH2 ARG 26 HH22 ARG 26 10.084 9.424 -9.551 459 H LEU 27 HN LEU 27 8.697 8.901 -2.982 460 HA LEU 27 HA LEU 27 9.281 11.501 -3.879 461 1HB LEU 27 HB2 LEU 27 7.139 10.205 -2.330 462 2HB LEU 27 HB1 LEU 27 7.360 11.909 -1.983 463 HG LEU 27 HG LEU 27 7.320 12.046 -4.656 464 1HD1 LEU 27 HD11 LEU 27 5.812 10.506 -5.641 465 2HD1 LEU 27 HD12 LEU 27 5.417 9.788 -4.078 466 3HD1 LEU 27 HD13 LEU 27 7.019 9.552 -4.778 467 1HD2 LEU 27 HD21 LEU 27 5.165 12.914 -4.464 468 2HD2 LEU 27 HD22 LEU 27 5.842 13.117 -2.849 469 3HD2 LEU 27 HD23 LEU 27 4.725 11.792 -3.176 470 H VAL 28 HN VAL 28 9.620 9.936 -0.734 471 HA VAL 28 HA VAL 28 10.260 12.247 0.756 472 HB VAL 28 HB VAL 28 11.272 9.452 1.263 473 1HG1 VAL 28 HG11 VAL 28 10.612 11.258 3.490 474 2HG1 VAL 28 HG12 VAL 28 12.010 11.723 2.521 475 3HG1 VAL 28 HG13 VAL 28 11.961 10.140 3.295 476 1HG2 VAL 28 HG21 VAL 28 8.590 10.432 1.266 477 2HG2 VAL 28 HG22 VAL 28 9.065 10.054 2.922 478 3HG2 VAL 28 HG23 VAL 28 9.181 8.820 1.668 479 H GLN 29 HN GLN 29 12.256 9.898 -0.978 480 HA GLN 29 HA GLN 29 14.779 10.820 -0.314 481 1HB GLN 29 HB2 GLN 29 13.860 9.770 -3.000 482 2HB GLN 29 HB1 GLN 29 15.530 9.871 -2.461 483 1HG GLN 29 HG2 GLN 29 13.483 8.293 -0.948 484 2HG GLN 29 HG1 GLN 29 14.358 7.611 -2.318 485 1HE2 GLN 29 HE21 GLN 29 14.368 6.940 0.565 486 2HE2 GLN 29 HE22 GLN 29 16.027 7.014 1.044 487 H GLN 30 HN GLN 30 12.367 12.184 -2.398 488 HA GLN 30 HA GLN 30 14.115 14.055 -3.696 489 1HB GLN 30 HB2 GLN 30 11.848 13.143 -4.536 490 2HB GLN 30 HB1 GLN 30 11.129 14.347 -3.475 491 1HG GLN 30 HG2 GLN 30 11.945 16.121 -4.717 492 2HG GLN 30 HG1 GLN 30 13.199 15.141 -5.477 493 1HE2 GLN 30 HE21 GLN 30 12.323 13.317 -6.851 494 2HE2 GLN 30 HE22 GLN 30 10.981 13.696 -7.872 495 H HIS 31 HN HIS 31 12.140 14.000 -0.803 496 HA HIS 31 HA HIS 31 13.249 16.617 -0.084 497 1HB HIS 31 HB2 HIS 31 11.131 17.429 0.763 498 2HB HIS 31 HB1 HIS 31 10.950 16.996 -0.933 499 HD1 HIS 31 HD1 HIS 31 10.000 14.372 -1.191 500 HD2 HIS 31 HD2 HIS 31 9.101 16.477 2.271 501 HE1 HIS 31 HE1 HIS 31 7.987 13.236 -0.215 502 HE2 HIS 31 HE2 HIS 31 7.610 14.390 1.989 503 HA PRO 32 HA PRO 32 13.407 13.441 3.351 504 1HB PRO 32 HB2 PRO 32 16.056 13.033 3.451 505 2HB PRO 32 HB1 PRO 32 15.029 12.166 2.303 506 1HG PRO 32 HG2 PRO 32 16.784 14.547 1.852 507 2HG PRO 32 HG1 PRO 32 16.551 13.118 0.830 508 1HD PRO 32 HD2 PRO 32 15.314 15.531 0.401 509 2HD PRO 32 HD1 PRO 32 14.664 13.973 -0.140 510 H ARG 33 HN ARG 33 15.422 16.235 2.619 511 HA ARG 33 HA ARG 33 14.874 17.504 5.077 512 1HB ARG 33 HB2 ARG 33 17.313 17.489 5.879 513 2HB ARG 33 HB1 ARG 33 16.342 16.056 6.188 514 1HG ARG 33 HG2 ARG 33 18.418 15.259 5.455 515 2HG ARG 33 HG1 ARG 33 17.341 15.096 4.065 516 1HD ARG 33 HD2 ARG 33 18.443 16.658 2.860 517 2HD ARG 33 HD1 ARG 33 18.796 17.651 4.273 518 HE ARG 33 HE ARG 33 20.305 15.257 4.338 519 1HH1 ARG 33 HH11 ARG 33 20.136 18.346 2.723 520 2HH1 ARG 33 HH12 ARG 33 21.833 18.399 2.378 521 1HH2 ARG 33 HH21 ARG 33 22.536 15.325 3.885 522 2HH2 ARG 33 HH22 ARG 33 23.195 16.683 3.038 Start of MODEL 13 1 H CYS 1 HT1 CYS 1 12.300 21.492 5.799 2 HA CYS 1 HA CYS 1 11.732 22.371 3.588 3 1HB CYS 1 HB2 CYS 1 14.087 21.196 2.869 4 2HB CYS 1 HB1 CYS 1 12.929 19.981 2.337 5 HG CYS 1 HG CYS 1 11.804 21.985 0.916 6 H GLY 2 HN GLY 2 10.666 20.506 1.887 7 1HA GLY 2 HA2 GLY 2 9.418 18.450 1.882 8 2HA GLY 2 HA1 GLY 2 9.283 18.577 3.631 9 H GLY 3 HN GLY 3 7.920 20.338 4.485 10 1HA GLY 3 HA2 GLY 3 5.355 20.321 3.474 11 2HA GLY 3 HA1 GLY 3 5.981 21.580 4.529 12 H ASP 4 HN ASP 4 5.237 20.674 1.262 13 HA ASP 4 HA ASP 4 5.129 23.444 0.476 14 1HB ASP 4 HB2 ASP 4 7.186 21.546 -0.647 15 2HB ASP 4 HB1 ASP 4 6.636 22.960 -1.547 16 H ASN 5 HN ASN 5 5.690 20.618 -1.529 17 HA ASN 5 HA ASN 5 2.871 20.417 -2.236 18 1HB ASN 5 HB2 ASN 5 4.270 22.014 -3.816 19 2HB ASN 5 HB1 ASN 5 4.843 20.491 -4.490 20 1HD2 ASN 5 HD21 ASN 5 1.701 21.639 -3.301 21 2HD2 ASN 5 HD22 ASN 5 0.821 21.230 -4.730 22 H ILE 6 HN ILE 6 6.173 19.257 -2.672 23 HA ILE 6 HA ILE 6 5.518 16.667 -3.604 24 HB ILE 6 HB ILE 6 7.969 17.153 -1.955 25 1HG1 ILE 6 HG12 ILE 6 7.412 18.293 -4.694 26 2HG1 ILE 6 HG11 ILE 6 7.999 19.136 -3.264 27 1HG2 ILE 6 HG21 ILE 6 7.490 14.942 -2.882 28 2HG2 ILE 6 HG22 ILE 6 8.980 15.632 -3.529 29 3HG2 ILE 6 HG23 ILE 6 7.511 15.627 -4.507 30 1HD1 ILE 6 HD11 ILE 6 9.932 17.228 -3.723 31 2HD1 ILE 6 HD12 ILE 6 10.019 18.937 -4.152 32 3HD1 ILE 6 HD13 ILE 6 9.468 17.756 -5.341 33 H GLU 7 HN GLU 7 6.433 17.910 -0.425 34 HA GLU 7 HA GLU 7 6.192 15.555 1.040 35 1HB GLU 7 HB2 GLU 7 7.213 17.543 1.978 36 2HB GLU 7 HB1 GLU 7 5.684 18.409 1.900 37 1HG GLU 7 HG2 GLU 7 4.742 16.772 3.512 38 2HG GLU 7 HG1 GLU 7 6.347 16.055 3.655 39 H GLN 8 HN GLN 8 3.740 17.816 -0.031 40 HA GLN 8 HA GLN 8 1.646 16.633 1.548 41 1HB GLN 8 HB2 GLN 8 1.662 19.031 0.801 42 2HB GLN 8 HB1 GLN 8 1.380 18.466 -0.839 43 1HG GLN 8 HG2 GLN 8 -0.711 17.379 -0.028 44 2HG GLN 8 HG1 GLN 8 -0.444 18.158 1.531 45 1HE2 GLN 8 HE21 GLN 8 -2.611 19.026 0.978 46 2HE2 GLN 8 HE22 GLN 8 -2.681 20.490 0.062 47 H LYS 9 HN LYS 9 2.889 16.344 -1.712 48 HA LYS 9 HA LYS 9 0.791 14.899 -2.868 49 1HB LYS 9 HB2 LYS 9 3.168 15.868 -3.763 50 2HB LYS 9 HB1 LYS 9 3.517 14.144 -3.708 51 1HG LYS 9 HG2 LYS 9 1.000 14.371 -4.913 52 2HG LYS 9 HG1 LYS 9 1.994 15.641 -5.626 53 1HD LYS 9 HD2 LYS 9 3.487 13.184 -5.412 54 2HD LYS 9 HD1 LYS 9 1.976 12.918 -6.283 55 1HE LYS 9 HE2 LYS 9 3.124 13.642 -8.068 56 2HE LYS 9 HE1 LYS 9 2.832 15.246 -7.395 57 1HZ LYS 9 HZ1 LYS 9 5.281 13.611 -7.282 58 2HZ LYS 9 HZ2 LYS 9 5.003 14.804 -6.116 59 3HZ LYS 9 HZ3 LYS 9 5.099 15.227 -7.751 60 H ILE 10 HN ILE 10 3.554 13.847 -0.943 61 HA ILE 10 HA ILE 10 3.086 11.066 -1.323 62 HB ILE 10 HB ILE 10 4.506 10.791 0.740 63 1HG1 ILE 10 HG12 ILE 10 4.972 13.758 0.412 64 2HG1 ILE 10 HG11 ILE 10 3.971 13.053 1.678 65 1HG2 ILE 10 HG21 ILE 10 5.434 10.612 -1.482 66 2HG2 ILE 10 HG22 ILE 10 6.574 11.448 -0.427 67 3HG2 ILE 10 HG23 ILE 10 5.605 12.365 -1.581 68 1HD1 ILE 10 HD11 ILE 10 5.905 11.849 2.540 69 2HD1 ILE 10 HD12 ILE 10 6.187 13.589 2.499 70 3HD1 ILE 10 HD13 ILE 10 6.907 12.550 1.270 71 H ASP 11 HN ASP 11 2.184 13.373 1.228 72 HA ASP 11 HA ASP 11 1.107 11.672 3.100 73 1HB ASP 11 HB2 ASP 11 0.447 14.451 2.229 74 2HB ASP 11 HB1 ASP 11 -0.673 13.638 3.318 75 H ASP 12 HN ASP 12 -0.192 12.679 0.025 76 HA ASP 12 HA ASP 12 -2.805 11.611 0.369 77 1HB ASP 12 HB2 ASP 12 -1.270 12.082 -2.200 78 2HB ASP 12 HB1 ASP 12 -3.010 11.846 -2.061 79 H ILE 13 HN ILE 13 0.148 10.412 -1.178 80 HA ILE 13 HA ILE 13 -0.844 7.923 -2.001 81 HB ILE 13 HB ILE 13 1.989 8.512 -1.129 82 1HG1 ILE 13 HG12 ILE 13 0.675 8.892 -3.830 83 2HG1 ILE 13 HG11 ILE 13 1.249 10.172 -2.767 84 1HG2 ILE 13 HG21 ILE 13 1.555 6.695 -3.366 85 2HG2 ILE 13 HG22 ILE 13 0.846 6.122 -1.857 86 3HG2 ILE 13 HG23 ILE 13 2.565 6.508 -1.932 87 1HD1 ILE 13 HD11 ILE 13 3.105 8.069 -3.803 88 2HD1 ILE 13 HD12 ILE 13 3.482 9.673 -3.178 89 3HD1 ILE 13 HD13 ILE 13 2.707 9.500 -4.752 90 H ASP 14 HN ASP 14 0.826 8.880 0.992 91 HA ASP 14 HA ASP 14 1.045 6.459 2.264 92 1HB ASP 14 HB2 ASP 14 1.581 8.974 3.003 93 2HB ASP 14 HB1 ASP 14 0.096 8.740 3.922 94 H HIS 15 HN HIS 15 -1.825 8.415 1.801 95 HA HIS 15 HA HIS 15 -3.460 6.917 3.615 96 1HB HIS 15 HB2 HIS 15 -3.841 9.321 2.832 97 2HB HIS 15 HB1 HIS 15 -4.439 8.625 1.330 98 HD1 HIS 15 HD1 HIS 15 -5.306 6.710 4.347 99 HD2 HIS 15 HD2 HIS 15 -6.969 9.773 2.086 100 HE1 HIS 15 HE1 HIS 15 -7.714 6.838 5.058 101 HE2 HIS 15 HE2 HIS 15 -8.721 8.641 3.615 102 H GLU 16 HN GLU 16 -2.550 6.689 0.272 103 HA GLU 16 HA GLU 16 -4.628 4.781 -0.363 104 1HB GLU 16 HB2 GLU 16 -2.231 5.429 -2.066 105 2HB GLU 16 HB1 GLU 16 -3.803 4.829 -2.581 106 1HG GLU 16 HG2 GLU 16 -4.827 6.909 -2.253 107 2HG GLU 16 HG1 GLU 16 -3.483 7.512 -1.285 108 H ILE 17 HN ILE 17 -1.214 4.787 0.409 109 HA ILE 17 HA ILE 17 -0.603 2.136 -0.302 110 HB ILE 17 HB ILE 17 0.650 3.700 1.959 111 1HG1 ILE 17 HG12 ILE 17 1.768 3.664 -0.813 112 2HG1 ILE 17 HG11 ILE 17 0.459 4.779 -0.445 113 1HG2 ILE 17 HG21 ILE 17 2.633 2.282 0.761 114 2HG2 ILE 17 HG22 ILE 17 1.261 1.188 0.575 115 3HG2 ILE 17 HG23 ILE 17 1.731 1.746 2.180 116 1HD1 ILE 17 HD11 ILE 17 3.244 5.013 0.114 117 2HD1 ILE 17 HD12 ILE 17 2.338 5.037 1.627 118 3HD1 ILE 17 HD13 ILE 17 1.956 6.193 0.351 119 H ALA 18 HN ALA 18 -2.044 3.567 2.548 120 HA ALA 18 HA ALA 18 -1.913 1.159 4.120 121 1HB ALA 18 HB1 ALA 18 -3.708 2.720 5.421 122 2HB ALA 18 HB2 ALA 18 -2.798 3.932 4.517 123 3HB ALA 18 HB3 ALA 18 -1.960 2.837 5.616 124 H ASP 19 HN ASP 19 -4.323 2.825 2.162 125 HA ASP 19 HA ASP 19 -6.612 1.454 2.920 126 1HB ASP 19 HB2 ASP 19 -5.734 2.925 0.505 127 2HB ASP 19 HB1 ASP 19 -7.083 1.815 0.279 128 H LEU 20 HN LEU 20 -4.180 0.565 0.499 129 HA LEU 20 HA LEU 20 -5.496 -1.806 -0.341 130 1HB LEU 20 HB2 LEU 20 -2.536 -1.354 -0.520 131 2HB LEU 20 HB1 LEU 20 -3.564 -2.279 -1.597 132 HG LEU 20 HG LEU 20 -3.349 0.714 -1.375 133 1HD1 LEU 20 HD11 LEU 20 -2.789 -1.303 -3.531 134 2HD1 LEU 20 HD12 LEU 20 -1.668 -0.177 -2.767 135 3HD1 LEU 20 HD13 LEU 20 -2.924 0.427 -3.847 136 1HD2 LEU 20 HD21 LEU 20 -5.579 -0.952 -2.339 137 2HD2 LEU 20 HD22 LEU 20 -5.062 0.339 -3.425 138 3HD2 LEU 20 HD23 LEU 20 -5.567 0.721 -1.779 139 H GLN 21 HN GLN 21 -2.720 -1.253 1.818 140 HA GLN 21 HA GLN 21 -2.155 -3.859 2.507 141 1HB GLN 21 HB2 GLN 21 -1.204 -1.445 3.276 142 2HB GLN 21 HB1 GLN 21 -2.058 -1.921 4.737 143 1HG GLN 21 HG2 GLN 21 -0.647 -4.188 4.021 144 2HG GLN 21 HG1 GLN 21 0.459 -2.861 3.666 145 1HE2 GLN 21 HE21 GLN 21 0.278 -4.999 5.812 146 2HE2 GLN 21 HE22 GLN 21 0.487 -4.125 7.288 147 H ALA 22 HN ALA 22 -4.670 -1.756 3.789 148 HA ALA 22 HA ALA 22 -5.472 -3.482 5.898 149 1HB ALA 22 HB1 ALA 22 -6.260 -1.402 6.328 150 2HB ALA 22 HB2 ALA 22 -7.685 -2.038 5.504 151 3HB ALA 22 HB3 ALA 22 -6.533 -1.032 4.624 152 H LYS 23 HN LYS 23 -6.350 -3.203 2.518 153 HA LYS 23 HA LYS 23 -8.663 -4.858 2.661 154 1HB LYS 23 HB2 LYS 23 -6.968 -3.757 0.463 155 2HB LYS 23 HB1 LYS 23 -8.088 -5.061 0.094 156 1HG LYS 23 HG2 LYS 23 -9.821 -3.676 0.081 157 2HG LYS 23 HG1 LYS 23 -9.375 -2.998 1.647 158 1HD LYS 23 HD2 LYS 23 -9.000 -1.111 0.488 159 2HD LYS 23 HD1 LYS 23 -7.491 -1.894 0.016 160 1HE LYS 23 HE2 LYS 23 -10.085 -1.875 -1.522 161 2HE LYS 23 HE1 LYS 23 -8.597 -1.030 -1.946 162 1HZ LYS 23 HZ1 LYS 23 -7.523 -3.261 -2.081 163 2HZ LYS 23 HZ2 LYS 23 -8.710 -2.985 -3.255 164 3HZ LYS 23 HZ3 LYS 23 -9.057 -3.960 -1.915 165 H ARG 24 HN ARG 24 -5.249 -5.451 2.133 166 HA ARG 24 HA ARG 24 -5.559 -8.154 1.262 167 1HB ARG 24 HB2 ARG 24 -3.571 -6.869 0.682 168 2HB ARG 24 HB1 ARG 24 -3.156 -6.699 2.382 169 1HG ARG 24 HG2 ARG 24 -2.237 -8.739 2.491 170 2HG ARG 24 HG1 ARG 24 -3.490 -9.469 1.487 171 1HD ARG 24 HD2 ARG 24 -2.331 -8.135 -0.431 172 2HD ARG 24 HD1 ARG 24 -0.958 -8.104 0.674 173 HE ARG 24 HE ARG 24 -1.867 -10.323 -0.856 174 1HH1 ARG 24 HH11 ARG 24 -0.381 -9.461 2.181 175 2HH1 ARG 24 HH12 ARG 24 0.422 -10.984 2.363 176 1HH2 ARG 24 HH21 ARG 24 -0.813 -12.327 -0.618 177 2HH2 ARG 24 HH22 ARG 24 0.178 -12.611 0.774 178 H THR 25 HN THR 25 -4.775 -6.631 4.369 179 HA THR 25 HA THR 25 -4.291 -8.977 5.822 180 HB THR 25 HB THR 25 -5.610 -6.731 7.225 181 HG1 THR 25 HG1 THR 25 -4.343 -5.258 6.473 182 1HG2 THR 25 HG21 THR 25 -4.610 -7.890 8.847 183 2HG2 THR 25 HG22 THR 25 -3.161 -7.027 8.333 184 3HG2 THR 25 HG23 THR 25 -3.474 -8.658 7.739 185 H ARG 26 HN ARG 26 -7.280 -7.050 5.573 186 HA ARG 26 HA ARG 26 -8.924 -8.561 7.183 187 1HB ARG 26 HB2 ARG 26 -10.805 -7.716 5.800 188 2HB ARG 26 HB1 ARG 26 -9.667 -6.457 6.262 189 1HG ARG 26 HG2 ARG 26 -8.642 -6.571 4.045 190 2HG ARG 26 HG1 ARG 26 -9.794 -7.826 3.583 191 1HD ARG 26 HD2 ARG 26 -11.552 -6.028 4.360 192 2HD ARG 26 HD1 ARG 26 -10.228 -4.913 4.026 193 HE ARG 26 HE ARG 26 -10.334 -6.416 1.786 194 1HH1 ARG 26 HH11 ARG 26 -12.751 -4.640 3.570 195 2HH1 ARG 26 HH12 ARG 26 -13.712 -4.299 2.171 196 1HH2 ARG 26 HH21 ARG 26 -11.598 -5.968 -0.055 197 2HH2 ARG 26 HH22 ARG 26 -13.058 -5.052 0.113 198 H LEU 27 HN LEU 27 -8.211 -9.022 3.744 199 HA LEU 27 HA LEU 27 -9.895 -11.241 3.350 200 1HB LEU 27 HB2 LEU 27 -7.685 -9.954 1.909 201 2HB LEU 27 HB1 LEU 27 -7.812 -11.679 1.618 202 HG LEU 27 HG LEU 27 -9.036 -10.519 -0.090 203 1HD1 LEU 27 HD11 LEU 27 -10.156 -12.448 1.609 204 2HD1 LEU 27 HD12 LEU 27 -10.596 -12.093 -0.061 205 3HD1 LEU 27 HD13 LEU 27 -11.443 -11.294 1.262 206 1HD2 LEU 27 HD21 LEU 27 -9.505 -8.599 1.781 207 2HD2 LEU 27 HD22 LEU 27 -11.086 -9.371 1.660 208 3HD2 LEU 27 HD23 LEU 27 -10.317 -8.705 0.220 209 H VAL 28 HN VAL 28 -6.603 -10.934 4.557 210 HA VAL 28 HA VAL 28 -5.970 -13.695 4.543 211 HB VAL 28 HB VAL 28 -4.898 -11.628 6.457 212 1HG1 VAL 28 HG11 VAL 28 -3.274 -13.098 7.016 213 2HG1 VAL 28 HG12 VAL 28 -3.213 -13.811 5.404 214 3HG1 VAL 28 HG13 VAL 28 -4.490 -14.279 6.528 215 1HG2 VAL 28 HG21 VAL 28 -3.088 -12.045 4.337 216 2HG2 VAL 28 HG22 VAL 28 -3.974 -10.572 4.731 217 3HG2 VAL 28 HG23 VAL 28 -4.663 -11.741 3.606 218 H GLN 29 HN GLN 29 -7.355 -11.540 6.976 219 HA GLN 29 HA GLN 29 -7.477 -13.264 9.142 220 1HB GLN 29 HB2 GLN 29 -9.132 -10.946 8.238 221 2HB GLN 29 HB1 GLN 29 -9.726 -11.925 9.572 222 1HG GLN 29 HG2 GLN 29 -8.151 -11.181 11.003 223 2HG GLN 29 HG1 GLN 29 -6.916 -11.055 9.752 224 1HE2 GLN 29 HE21 GLN 29 -6.588 -9.143 8.742 225 2HE2 GLN 29 HE22 GLN 29 -7.427 -7.685 9.134 226 H GLN 30 HN GLN 30 -9.338 -13.187 6.216 227 HA GLN 30 HA GLN 30 -11.415 -14.941 7.139 228 1HB GLN 30 HB2 GLN 30 -10.611 -14.155 4.330 229 2HB GLN 30 HB1 GLN 30 -12.076 -15.025 4.761 230 1HG GLN 30 HG2 GLN 30 -11.371 -12.238 5.651 231 2HG GLN 30 HG1 GLN 30 -12.495 -12.654 4.357 232 1HE2 GLN 30 HE21 GLN 30 -12.220 -11.886 7.567 233 2HE2 GLN 30 HE22 GLN 30 -13.756 -12.451 8.120 234 H HIS 31 HN HIS 31 -8.301 -15.280 5.566 235 HA HIS 31 HA HIS 31 -8.550 -18.186 5.871 236 1HB HIS 31 HB2 HIS 31 -7.627 -18.649 3.699 237 2HB HIS 31 HB1 HIS 31 -9.023 -17.599 3.492 238 HD1 HIS 31 HD1 HIS 31 -8.215 -14.900 3.413 239 HD2 HIS 31 HD2 HIS 31 -5.533 -17.829 2.210 240 HE1 HIS 31 HE1 HIS 31 -6.539 -13.725 1.963 241 HE2 HIS 31 HE2 HIS 31 -4.811 -15.477 1.437 242 HA PRO 32 HA PRO 32 -4.473 -16.421 7.356 243 1HB PRO 32 HB2 PRO 32 -4.761 -16.844 9.994 244 2HB PRO 32 HB1 PRO 32 -5.407 -15.398 9.207 245 1HG PRO 32 HG2 PRO 32 -6.824 -17.902 10.029 246 2HG PRO 32 HG1 PRO 32 -7.347 -16.216 10.190 247 1HD PRO 32 HD2 PRO 32 -8.196 -17.894 8.195 248 2HD PRO 32 HD1 PRO 32 -8.129 -16.128 8.040 249 H ARG 33 HN ARG 33 -6.288 -19.308 8.216 250 HA ARG 33 HA ARG 33 -3.785 -20.781 8.634 251 1HB ARG 33 HB2 ARG 33 -6.650 -21.387 9.354 252 2HB ARG 33 HB1 ARG 33 -5.381 -22.600 9.447 253 1HG ARG 33 HG2 ARG 33 -5.309 -21.866 11.584 254 2HG ARG 33 HG1 ARG 33 -4.198 -20.695 10.870 255 1HD ARG 33 HD2 ARG 33 -5.551 -19.000 11.367 256 2HD ARG 33 HD1 ARG 33 -6.931 -19.807 10.625 257 HE ARG 33 HE ARG 33 -6.279 -19.702 13.422 258 1HH1 ARG 33 HH11 ARG 33 -7.981 -21.475 10.944 259 2HH1 ARG 33 HH12 ARG 33 -9.097 -22.197 12.053 260 1HH2 ARG 33 HH21 ARG 33 -7.746 -20.652 14.882 261 2HH2 ARG 33 HH22 ARG 33 -8.965 -21.730 14.288 262 H CYS 1 HN CYS 1 -16.908 -20.155 -2.010 263 HA CYS 1 HA CYS 1 -15.546 -22.518 -3.128 264 1HB CYS 1 HB2 CYS 1 -15.369 -19.617 -3.940 265 2HB CYS 1 HB1 CYS 1 -14.192 -20.822 -4.448 266 HG CYS 1 HG CYS 1 -15.842 -21.812 -6.033 267 H GLY 2 HN GLY 2 -14.362 -23.212 -1.419 268 1HA GLY 2 HA2 GLY 2 -12.920 -21.304 0.238 269 2HA GLY 2 HA1 GLY 2 -13.004 -23.042 0.480 270 H GLY 3 HN GLY 3 -10.757 -23.159 0.820 271 1HA GLY 3 HA2 GLY 3 -8.700 -23.851 -0.009 272 2HA GLY 3 HA1 GLY 3 -9.252 -23.457 -1.630 273 H ASP 4 HN ASP 4 -7.327 -22.416 -2.171 274 HA ASP 4 HA ASP 4 -6.532 -20.090 -0.600 275 1HB ASP 4 HB2 ASP 4 -5.267 -21.344 -3.037 276 2HB ASP 4 HB1 ASP 4 -4.589 -20.010 -2.109 277 H ASN 5 HN ASN 5 -8.938 -20.410 -2.556 278 HA ASN 5 HA ASN 5 -8.638 -18.773 -4.767 279 1HB ASN 5 HB2 ASN 5 -10.729 -20.114 -3.680 280 2HB ASN 5 HB1 ASN 5 -11.179 -18.460 -3.278 281 1HD2 ASN 5 HD21 ASN 5 -10.096 -17.165 -5.504 282 2HD2 ASN 5 HD22 ASN 5 -11.010 -17.618 -6.898 283 H ILE 6 HN ILE 6 -8.878 -17.993 -1.406 284 HA ILE 6 HA ILE 6 -9.356 -15.183 -1.790 285 HB ILE 6 HB ILE 6 -8.348 -16.540 0.704 286 1HG1 ILE 6 HG12 ILE 6 -11.230 -16.088 -0.100 287 2HG1 ILE 6 HG11 ILE 6 -10.410 -17.644 -0.179 288 1HG2 ILE 6 HG21 ILE 6 -9.344 -14.671 1.856 289 2HG2 ILE 6 HG22 ILE 6 -9.981 -14.036 0.340 290 3HG2 ILE 6 HG23 ILE 6 -8.240 -14.079 0.613 291 1HD1 ILE 6 HD11 ILE 6 -11.908 -16.948 1.876 292 2HD1 ILE 6 HD12 ILE 6 -10.400 -16.208 2.413 293 3HD1 ILE 6 HD13 ILE 6 -10.461 -17.938 2.071 294 H GLU 7 HN GLU 7 -6.627 -17.245 -0.904 295 HA GLU 7 HA GLU 7 -4.700 -15.300 -0.448 296 1HB GLU 7 HB2 GLU 7 -4.715 -18.009 -0.401 297 2HB GLU 7 HB1 GLU 7 -3.783 -17.727 -1.864 298 1HG GLU 7 HG2 GLU 7 -2.525 -16.024 -0.254 299 2HG GLU 7 HG1 GLU 7 -3.108 -17.164 0.958 300 H GLN 8 HN GLN 8 -6.079 -16.429 -3.421 301 HA GLN 8 HA GLN 8 -4.024 -15.394 -5.126 302 1HB GLN 8 HB2 GLN 8 -5.918 -17.213 -5.550 303 2HB GLN 8 HB1 GLN 8 -6.807 -15.804 -6.113 304 1HG GLN 8 HG2 GLN 8 -4.536 -15.411 -7.446 305 2HG GLN 8 HG1 GLN 8 -4.463 -17.165 -7.288 306 1HE2 GLN 8 HE21 GLN 8 -6.372 -18.368 -8.011 307 2HE2 GLN 8 HE22 GLN 8 -7.259 -17.772 -9.369 308 H LYS 9 HN LYS 9 -7.187 -14.308 -4.014 309 HA LYS 9 HA LYS 9 -7.352 -11.964 -5.547 310 1HB LYS 9 HB2 LYS 9 -9.096 -13.197 -3.984 311 2HB LYS 9 HB1 LYS 9 -8.508 -12.042 -2.797 312 1HG LYS 9 HG2 LYS 9 -9.362 -10.232 -3.931 313 2HG LYS 9 HG1 LYS 9 -9.371 -11.075 -5.482 314 1HD LYS 9 HD2 LYS 9 -11.377 -12.071 -5.082 315 2HD LYS 9 HD1 LYS 9 -11.098 -12.178 -3.342 316 1HE LYS 9 HE2 LYS 9 -12.020 -10.158 -2.938 317 2HE LYS 9 HE1 LYS 9 -11.371 -9.451 -4.418 318 1HZ LYS 9 HZ1 LYS 9 -13.570 -11.412 -4.535 319 2HZ LYS 9 HZ2 LYS 9 -13.143 -10.226 -5.662 320 3HZ LYS 9 HZ3 LYS 9 -13.891 -9.783 -4.212 321 H ILE 10 HN ILE 10 -6.017 -12.563 -2.322 322 HA ILE 10 HA ILE 10 -5.363 -9.852 -1.810 323 HB ILE 10 HB ILE 10 -3.748 -10.817 -0.118 324 1HG1 ILE 10 HG12 ILE 10 -5.153 -13.413 -0.764 325 2HG1 ILE 10 HG11 ILE 10 -3.525 -13.023 -1.310 326 1HG2 ILE 10 HG21 ILE 10 -6.674 -11.513 -0.016 327 2HG2 ILE 10 HG22 ILE 10 -5.902 -10.034 0.555 328 3HG2 ILE 10 HG23 ILE 10 -5.594 -11.563 1.379 329 1HD1 ILE 10 HD11 ILE 10 -3.219 -14.323 0.594 330 2HD1 ILE 10 HD12 ILE 10 -4.500 -13.493 1.478 331 3HD1 ILE 10 HD13 ILE 10 -2.976 -12.667 1.151 332 H ASP 11 HN ASP 11 -3.510 -12.581 -3.128 333 HA ASP 11 HA ASP 11 -0.985 -11.508 -3.230 334 1HB ASP 11 HB2 ASP 11 -2.491 -13.437 -4.910 335 2HB ASP 11 HB1 ASP 11 -1.040 -12.748 -5.632 336 H ASP 12 HN ASP 12 -3.758 -10.810 -5.234 337 HA ASP 12 HA ASP 12 -2.418 -9.209 -7.163 338 1HB ASP 12 HB2 ASP 12 -5.239 -9.715 -6.377 339 2HB ASP 12 HB1 ASP 12 -4.918 -8.202 -7.220 340 H ILE 13 HN ILE 13 -4.211 -8.483 -4.199 341 HA ILE 13 HA ILE 13 -3.923 -5.693 -4.262 342 HB ILE 13 HB ILE 13 -4.046 -7.402 -1.774 343 1HG1 ILE 13 HG12 ILE 13 -6.294 -6.347 -3.505 344 2HG1 ILE 13 HG11 ILE 13 -5.858 -8.037 -3.282 345 1HG2 ILE 13 HG21 ILE 13 -5.439 -4.839 -1.812 346 2HG2 ILE 13 HG22 ILE 13 -3.695 -4.693 -2.025 347 3HG2 ILE 13 HG23 ILE 13 -4.343 -5.518 -0.608 348 1HD1 ILE 13 HD11 ILE 13 -6.687 -6.307 -0.983 349 2HD1 ILE 13 HD12 ILE 13 -6.651 -8.067 -1.086 350 3HD1 ILE 13 HD13 ILE 13 -7.858 -7.155 -1.991 351 H ASP 14 HN ASP 14 -1.934 -8.205 -2.716 352 HA ASP 14 HA ASP 14 -0.070 -6.678 -1.413 353 1HB ASP 14 HB2 ASP 14 -0.335 -9.334 -1.927 354 2HB ASP 14 HB1 ASP 14 1.070 -8.949 -2.917 355 H HIS 15 HN HIS 15 -0.360 -7.273 -4.849 356 HA HIS 15 HA HIS 15 2.197 -6.162 -5.522 357 1HB HIS 15 HB2 HIS 15 0.730 -7.820 -6.886 358 2HB HIS 15 HB1 HIS 15 -0.114 -6.374 -7.432 359 HD1 HIS 15 HD1 HIS 15 3.273 -5.387 -7.044 360 HD2 HIS 15 HD2 HIS 15 1.191 -7.565 -9.905 361 HE1 HIS 15 HE1 HIS 15 4.704 -5.324 -9.110 362 HE2 HIS 15 HE2 HIS 15 3.384 -6.576 -10.852 363 H GLU 16 HN GLU 16 -1.034 -4.967 -5.058 364 HA GLU 16 HA GLU 16 -0.471 -2.411 -6.285 365 1HB GLU 16 HB2 GLU 16 -2.864 -3.061 -4.580 366 2HB GLU 16 HB1 GLU 16 -2.730 -1.859 -5.857 367 1HG GLU 16 HG2 GLU 16 -2.809 -3.480 -7.543 368 2HG GLU 16 HG1 GLU 16 -2.465 -4.792 -6.416 369 H ILE 17 HN ILE 17 -0.627 -3.803 -3.085 370 HA ILE 17 HA ILE 17 -0.634 -1.416 -1.586 371 HB ILE 17 HB ILE 17 0.592 -4.046 -0.751 372 1HG1 ILE 17 HG12 ILE 17 -2.217 -3.280 -0.084 373 2HG1 ILE 17 HG11 ILE 17 -1.886 -3.966 -1.669 374 1HG2 ILE 17 HG21 ILE 17 -0.572 -2.981 1.452 375 2HG2 ILE 17 HG22 ILE 17 -0.055 -1.523 0.604 376 3HG2 ILE 17 HG23 ILE 17 1.125 -2.767 1.018 377 1HD1 ILE 17 HD11 ILE 17 -2.193 -5.281 0.841 378 2HD1 ILE 17 HD12 ILE 17 -0.584 -5.609 0.196 379 3HD1 ILE 17 HD13 ILE 17 -2.014 -5.977 -0.768 380 H ALA 18 HN ALA 18 1.901 -3.314 -3.073 381 HA ALA 18 HA ALA 18 4.052 -1.893 -1.793 382 1HB ALA 18 HB1 ALA 18 4.889 -3.918 -2.307 383 2HB ALA 18 HB2 ALA 18 5.242 -3.165 -3.863 384 3HB ALA 18 HB3 ALA 18 3.787 -4.144 -3.666 385 H ASP 19 HN ASP 19 2.388 -1.783 -4.898 386 HA ASP 19 HA ASP 19 4.117 -0.166 -6.339 387 1HB ASP 19 HB2 ASP 19 1.878 -1.295 -7.034 388 2HB ASP 19 HB1 ASP 19 1.143 0.217 -6.510 389 H LEU 20 HN LEU 20 1.569 0.772 -4.061 390 HA LEU 20 HA LEU 20 1.916 3.569 -4.414 391 1HB LEU 20 HB2 LEU 20 0.834 2.300 -1.922 392 2HB LEU 20 HB1 LEU 20 0.417 3.850 -2.626 393 HG LEU 20 HG LEU 20 -0.414 1.111 -3.549 394 1HD1 LEU 20 HD11 LEU 20 -1.892 1.879 -1.927 395 2HD1 LEU 20 HD12 LEU 20 -2.666 2.337 -3.444 396 3HD1 LEU 20 HD13 LEU 20 -1.802 3.546 -2.493 397 1HD2 LEU 20 HD21 LEU 20 0.316 2.500 -5.487 398 2HD2 LEU 20 HD22 LEU 20 -0.892 3.698 -5.021 399 3HD2 LEU 20 HD23 LEU 20 -1.397 2.079 -5.506 400 H GLN 21 HN GLN 21 2.973 1.328 -1.859 401 HA GLN 21 HA GLN 21 4.307 3.108 -0.226 402 1HB GLN 21 HB2 GLN 21 3.895 0.515 -0.045 403 2HB GLN 21 HB1 GLN 21 5.509 0.418 -0.734 404 1HG GLN 21 HG2 GLN 21 6.481 1.497 1.107 405 2HG GLN 21 HG1 GLN 21 4.921 2.067 1.699 406 1HE2 GLN 21 HE21 GLN 21 4.113 0.990 3.340 407 2HE2 GLN 21 HE22 GLN 21 4.466 -0.647 3.764 408 H ALA 22 HN ALA 22 5.313 1.760 -3.286 409 HA ALA 22 HA ALA 22 8.053 2.561 -3.060 410 1HB ALA 22 HB1 ALA 22 7.035 0.716 -4.550 411 2HB ALA 22 HB2 ALA 22 8.346 1.701 -5.199 412 3HB ALA 22 HB3 ALA 22 6.680 2.032 -5.669 413 H LYS 23 HN LYS 23 5.113 3.985 -4.321 414 HA LYS 23 HA LYS 23 6.387 6.117 -5.725 415 1HB LYS 23 HB2 LYS 23 3.576 5.539 -4.854 416 2HB LYS 23 HB1 LYS 23 3.991 7.130 -5.479 417 1HG LYS 23 HG2 LYS 23 4.098 6.406 -7.591 418 2HG LYS 23 HG1 LYS 23 4.945 4.924 -7.142 419 1HD LYS 23 HD2 LYS 23 2.953 4.054 -7.872 420 2HD LYS 23 HD1 LYS 23 2.591 4.271 -6.159 421 1HE LYS 23 HE2 LYS 23 1.287 6.159 -6.547 422 2HE LYS 23 HE1 LYS 23 2.008 6.449 -8.129 423 1HZ LYS 23 HZ1 LYS 23 0.616 5.008 -9.126 424 2HZ LYS 23 HZ2 LYS 23 -0.373 5.330 -7.792 425 3HZ LYS 23 HZ3 LYS 23 0.583 3.935 -7.817 426 H ARG 24 HN ARG 24 5.234 5.656 -2.451 427 HA ARG 24 HA ARG 24 5.331 8.396 -1.687 428 1HB ARG 24 HB2 ARG 24 3.990 6.793 -0.442 429 2HB ARG 24 HB1 ARG 24 5.429 5.874 -0.022 430 1HG ARG 24 HG2 ARG 24 5.894 7.195 1.707 431 2HG ARG 24 HG1 ARG 24 5.622 8.663 0.767 432 1HD ARG 24 HD2 ARG 24 3.089 7.837 1.030 433 2HD ARG 24 HD1 ARG 24 3.769 7.137 2.498 434 HE ARG 24 HE ARG 24 3.191 9.872 2.039 435 1HH1 ARG 24 HH11 ARG 24 5.513 7.778 3.589 436 2HH1 ARG 24 HH12 ARG 24 5.962 8.951 4.782 437 1HH2 ARG 24 HH21 ARG 24 3.778 11.415 3.608 438 2HH2 ARG 24 HH22 ARG 24 4.975 11.015 4.793 439 H THR 25 HN THR 25 7.608 5.699 -1.436 440 HA THR 25 HA THR 25 9.569 7.070 0.066 441 HB THR 25 HB THR 25 10.490 4.991 -1.815 442 HG1 THR 25 HG1 THR 25 8.823 3.776 -1.455 443 1HG2 THR 25 HG21 THR 25 11.591 5.959 0.376 444 2HG2 THR 25 HG22 THR 25 11.794 4.274 -0.106 445 3HG2 THR 25 HG23 THR 25 10.609 4.702 1.129 446 H ARG 26 HN ARG 26 9.512 6.281 -3.423 447 HA ARG 26 HA ARG 26 11.794 7.594 -4.196 448 1HB ARG 26 HB2 ARG 26 10.811 7.789 -6.427 449 2HB ARG 26 HB1 ARG 26 10.472 6.215 -5.722 450 1HG ARG 26 HG2 ARG 26 8.314 6.516 -6.078 451 2HG ARG 26 HG1 ARG 26 8.333 7.942 -5.042 452 1HD ARG 26 HD2 ARG 26 7.485 8.622 -7.157 453 2HD ARG 26 HD1 ARG 26 9.123 9.259 -7.022 454 HE ARG 26 HE ARG 26 9.241 6.776 -8.308 455 1HH1 ARG 26 HH11 ARG 26 8.044 10.004 -8.882 456 2HH1 ARG 26 HH12 ARG 26 8.226 9.901 -10.601 457 1HH2 ARG 26 HH21 ARG 26 9.482 6.639 -10.568 458 2HH2 ARG 26 HH22 ARG 26 9.042 7.989 -11.558 459 H LEU 27 HN LEU 27 8.640 8.960 -3.486 460 HA LEU 27 HA LEU 27 9.236 11.580 -4.436 461 1HB LEU 27 HB2 LEU 27 7.082 10.306 -2.853 462 2HB LEU 27 HB1 LEU 27 7.317 12.025 -2.590 463 HG LEU 27 HG LEU 27 5.601 11.672 -4.259 464 1HD1 LEU 27 HD11 LEU 27 7.775 12.562 -6.027 465 2HD1 LEU 27 HD12 LEU 27 7.660 13.402 -4.481 466 3HD1 LEU 27 HD13 LEU 27 6.275 13.368 -5.571 467 1HD2 LEU 27 HD21 LEU 27 7.561 9.758 -5.308 468 2HD2 LEU 27 HD22 LEU 27 6.760 10.743 -6.532 469 3HD2 LEU 27 HD23 LEU 27 5.802 9.762 -5.423 470 H VAL 28 HN VAL 28 9.504 9.926 -1.334 471 HA VAL 28 HA VAL 28 10.203 12.167 0.226 472 HB VAL 28 HB VAL 28 11.139 9.335 0.655 473 1HG1 VAL 28 HG11 VAL 28 11.916 11.535 1.995 474 2HG1 VAL 28 HG12 VAL 28 11.789 9.937 2.731 475 3HG1 VAL 28 HG13 VAL 28 10.477 11.101 2.920 476 1HG2 VAL 28 HG21 VAL 28 9.023 8.738 0.982 477 2HG2 VAL 28 HG22 VAL 28 8.476 10.383 0.660 478 3HG2 VAL 28 HG23 VAL 28 8.921 9.907 2.298 479 H GLN 29 HN GLN 29 12.154 9.799 -1.538 480 HA GLN 29 HA GLN 29 14.691 10.656 -0.827 481 1HB GLN 29 HB2 GLN 29 13.704 8.779 -2.548 482 2HB GLN 29 HB1 GLN 29 14.378 9.949 -3.674 483 1HG GLN 29 HG2 GLN 29 16.527 9.587 -2.983 484 2HG GLN 29 HG1 GLN 29 16.038 9.068 -1.372 485 1HE2 GLN 29 HE21 GLN 29 15.285 6.946 -1.078 486 2HE2 GLN 29 HE22 GLN 29 15.650 5.695 -2.213 487 H GLN 30 HN GLN 30 12.388 11.991 -3.088 488 HA GLN 30 HA GLN 30 14.151 13.841 -4.333 489 1HB GLN 30 HB2 GLN 30 11.812 13.013 -5.098 490 2HB GLN 30 HB1 GLN 30 11.192 14.281 -4.051 491 1HG GLN 30 HG2 GLN 30 12.491 15.937 -5.316 492 2HG GLN 30 HG1 GLN 30 13.050 14.654 -6.388 493 1HE2 GLN 30 HE21 GLN 30 11.994 16.374 -7.840 494 2HE2 GLN 30 HE22 GLN 30 10.338 16.090 -8.246 495 H HIS 31 HN HIS 31 12.250 13.848 -1.398 496 HA HIS 31 HA HIS 31 13.501 16.386 -0.664 497 1HB HIS 31 HB2 HIS 31 11.418 17.318 0.197 498 2HB HIS 31 HB1 HIS 31 11.280 16.989 -1.525 499 HD1 HIS 31 HD1 HIS 31 9.910 14.762 -2.144 500 HD2 HIS 31 HD2 HIS 31 9.500 16.143 1.749 501 HE1 HIS 31 HE1 HIS 31 7.830 13.670 -1.259 502 HE2 HIS 31 HE2 HIS 31 7.720 14.369 1.157 503 HA PRO 32 HA PRO 32 13.603 13.205 2.723 504 1HB PRO 32 HB2 PRO 32 16.255 13.344 3.202 505 2HB PRO 32 HB1 PRO 32 15.579 12.321 1.930 506 1HG PRO 32 HG2 PRO 32 16.843 15.026 1.714 507 2HG PRO 32 HG1 PRO 32 17.060 13.605 0.677 508 1HD PRO 32 HD2 PRO 32 15.434 15.686 0.023 509 2HD PRO 32 HD1 PRO 32 15.136 14.019 -0.509 510 H ARG 33 HN ARG 33 14.976 16.416 2.386 511 HA ARG 33 HA ARG 33 14.007 17.166 4.987 512 1HB ARG 33 HB2 ARG 33 16.164 17.880 5.893 513 2HB ARG 33 HB1 ARG 33 16.146 16.146 5.602 514 1HG ARG 33 HG2 ARG 33 17.155 17.062 3.255 515 2HG ARG 33 HG1 ARG 33 17.793 18.247 4.397 516 1HD ARG 33 HD2 ARG 33 18.076 15.647 5.529 517 2HD ARG 33 HD1 ARG 33 18.713 15.616 3.886 518 HE ARG 33 HE ARG 33 19.907 16.849 6.135 519 1HH1 ARG 33 HH11 ARG 33 19.415 17.289 2.708 520 2HH1 ARG 33 HH12 ARG 33 20.846 18.240 2.498 521 1HH2 ARG 33 HH21 ARG 33 21.791 18.100 5.860 522 2HH2 ARG 33 HH22 ARG 33 22.196 18.700 4.287 Start of MODEL 14 1 H CYS 1 HT1 CYS 1 6.113 27.971 -5.696 2 HA CYS 1 HA CYS 1 8.263 27.415 -6.153 3 1HB CYS 1 HB2 CYS 1 7.698 28.496 -3.445 4 2HB CYS 1 HB1 CYS 1 9.368 28.052 -3.780 5 HG CYS 1 HG CYS 1 9.481 30.313 -4.728 6 H GLY 2 HN GLY 2 7.223 25.778 -3.179 7 1HA GLY 2 HA2 GLY 2 8.029 23.256 -3.700 8 2HA GLY 2 HA1 GLY 2 9.527 24.027 -3.199 9 H GLY 3 HN GLY 3 10.004 23.648 -1.148 10 1HA GLY 3 HA2 GLY 3 9.748 23.603 1.151 11 2HA GLY 3 HA1 GLY 3 8.082 24.125 0.937 12 H ASP 4 HN ASP 4 6.761 22.724 1.873 13 HA ASP 4 HA ASP 4 7.467 19.893 1.964 14 1HB ASP 4 HB2 ASP 4 5.207 21.400 3.280 15 2HB ASP 4 HB1 ASP 4 5.589 19.700 3.540 16 H ASN 5 HN ASN 5 6.276 21.531 -0.395 17 HA ASN 5 HA ASN 5 3.705 20.681 -0.987 18 1HB ASN 5 HB2 ASN 5 4.987 22.343 -2.320 19 2HB ASN 5 HB1 ASN 5 5.979 21.035 -2.955 20 1HD2 ASN 5 HD21 ASN 5 2.492 21.378 -2.407 21 2HD2 ASN 5 HD22 ASN 5 2.028 21.016 -4.030 22 H ILE 6 HN ILE 6 6.704 18.975 -1.025 23 HA ILE 6 HA ILE 6 5.737 16.724 -2.544 24 HB ILE 6 HB ILE 6 8.202 16.829 -0.818 25 1HG1 ILE 6 HG12 ILE 6 8.006 17.601 -3.736 26 2HG1 ILE 6 HG11 ILE 6 8.102 18.760 -2.416 27 1HG2 ILE 6 HG21 ILE 6 7.641 15.256 -3.320 28 2HG2 ILE 6 HG22 ILE 6 7.431 14.636 -1.683 29 3HG2 ILE 6 HG23 ILE 6 9.034 15.106 -2.251 30 1HD1 ILE 6 HD11 ILE 6 10.222 16.809 -2.258 31 2HD1 ILE 6 HD12 ILE 6 10.306 18.571 -2.313 32 3HD1 ILE 6 HD13 ILE 6 10.213 17.644 -3.811 33 H GLU 7 HN GLU 7 6.504 17.458 0.824 34 HA GLU 7 HA GLU 7 5.981 14.971 1.957 35 1HB GLU 7 HB2 GLU 7 7.050 16.869 3.139 36 2HB GLU 7 HB1 GLU 7 5.492 17.683 3.199 37 1HG GLU 7 HG2 GLU 7 4.589 15.905 4.577 38 2HG GLU 7 HG1 GLU 7 6.116 15.030 4.476 39 H GLN 8 HN GLN 8 3.814 17.409 0.784 40 HA GLN 8 HA GLN 8 1.496 16.411 2.156 41 1HB GLN 8 HB2 GLN 8 1.875 18.790 1.263 42 2HB GLN 8 HB1 GLN 8 1.475 18.130 -0.317 43 1HG GLN 8 HG2 GLN 8 -0.710 17.454 0.493 44 2HG GLN 8 HG1 GLN 8 -0.313 18.052 2.104 45 1HE2 GLN 8 HE21 GLN 8 -0.369 19.167 -1.265 46 2HE2 GLN 8 HE22 GLN 8 -1.005 20.734 -0.915 47 H LYS 9 HN LYS 9 2.931 16.067 -1.039 48 HA LYS 9 HA LYS 9 0.840 14.637 -2.255 49 1HB LYS 9 HB2 LYS 9 3.173 15.666 -3.139 50 2HB LYS 9 HB1 LYS 9 3.613 13.966 -3.047 51 1HG LYS 9 HG2 LYS 9 1.396 13.604 -4.362 52 2HG LYS 9 HG1 LYS 9 1.591 15.308 -4.779 53 1HD LYS 9 HD2 LYS 9 3.793 13.293 -5.152 54 2HD LYS 9 HD1 LYS 9 2.581 13.609 -6.394 55 1HE LYS 9 HE2 LYS 9 3.352 16.131 -5.787 56 2HE LYS 9 HE1 LYS 9 4.853 15.253 -5.497 57 1HZ LYS 9 HZ1 LYS 9 4.920 14.509 -7.699 58 2HZ LYS 9 HZ2 LYS 9 4.464 16.132 -7.824 59 3HZ LYS 9 HZ3 LYS 9 3.304 14.914 -7.995 60 H ILE 10 HN ILE 10 3.581 13.604 -0.294 61 HA ILE 10 HA ILE 10 3.182 10.818 -0.721 62 HB ILE 10 HB ILE 10 4.574 10.542 1.345 63 1HG1 ILE 10 HG12 ILE 10 4.953 13.530 1.130 64 2HG1 ILE 10 HG11 ILE 10 3.941 12.752 2.344 65 1HG2 ILE 10 HG21 ILE 10 5.357 10.768 -1.100 66 2HG2 ILE 10 HG22 ILE 10 6.555 10.888 0.189 67 3HG2 ILE 10 HG23 ILE 10 5.954 12.349 -0.596 68 1HD1 ILE 10 HD11 ILE 10 6.901 12.365 1.999 69 2HD1 ILE 10 HD12 ILE 10 5.892 11.567 3.205 70 3HD1 ILE 10 HD13 ILE 10 6.107 13.316 3.255 71 H ASP 11 HN ASP 11 2.181 13.074 1.835 72 HA ASP 11 HA ASP 11 1.097 11.302 3.653 73 1HB ASP 11 HB2 ASP 11 1.228 13.946 3.617 74 2HB ASP 11 HB1 ASP 11 -0.423 13.801 3.023 75 H ASP 12 HN ASP 12 -0.154 12.421 0.598 76 HA ASP 12 HA ASP 12 -2.785 11.375 0.877 77 1HB ASP 12 HB2 ASP 12 -1.120 12.440 -1.342 78 2HB ASP 12 HB1 ASP 12 -2.440 11.368 -1.800 79 H ILE 13 HN ILE 13 0.200 10.181 -0.579 80 HA ILE 13 HA ILE 13 -0.786 7.723 -1.509 81 HB ILE 13 HB ILE 13 2.015 8.277 -0.527 82 1HG1 ILE 13 HG12 ILE 13 0.799 8.732 -3.259 83 2HG1 ILE 13 HG11 ILE 13 1.337 9.980 -2.140 84 1HG2 ILE 13 HG21 ILE 13 2.612 6.291 -1.359 85 2HG2 ILE 13 HG22 ILE 13 1.657 6.521 -2.823 86 3HG2 ILE 13 HG23 ILE 13 0.890 5.911 -1.357 87 1HD1 ILE 13 HD11 ILE 13 3.413 8.045 -2.754 88 2HD1 ILE 13 HD12 ILE 13 3.446 9.808 -2.808 89 3HD1 ILE 13 HD13 ILE 13 2.809 8.895 -4.177 90 H ASP 14 HN ASP 14 0.751 8.634 1.565 91 HA ASP 14 HA ASP 14 0.942 6.194 2.807 92 1HB ASP 14 HB2 ASP 14 1.499 8.630 3.632 93 2HB ASP 14 HB1 ASP 14 -0.091 8.523 4.379 94 H HIS 15 HN HIS 15 -1.925 8.133 2.260 95 HA HIS 15 HA HIS 15 -3.619 6.575 3.965 96 1HB HIS 15 HB2 HIS 15 -3.998 8.993 3.222 97 2HB HIS 15 HB1 HIS 15 -4.520 8.325 1.679 98 HD1 HIS 15 HD1 HIS 15 -5.454 6.467 4.754 99 HD2 HIS 15 HD2 HIS 15 -7.135 9.285 2.202 100 HE1 HIS 15 HE1 HIS 15 -7.903 6.514 5.324 101 HE2 HIS 15 HE2 HIS 15 -8.914 8.162 3.709 102 H GLU 16 HN GLU 16 -2.568 6.441 0.655 103 HA GLU 16 HA GLU 16 -4.590 4.527 -0.113 104 1HB GLU 16 HB2 GLU 16 -2.127 5.219 -1.696 105 2HB GLU 16 HB1 GLU 16 -3.675 4.634 -2.290 106 1HG GLU 16 HG2 GLU 16 -3.470 7.275 -0.901 107 2HG GLU 16 HG1 GLU 16 -3.061 7.114 -2.609 108 H ILE 17 HN ILE 17 -1.224 4.538 0.835 109 HA ILE 17 HA ILE 17 -0.566 1.904 0.087 110 HB ILE 17 HB ILE 17 0.601 3.438 2.411 111 1HG1 ILE 17 HG12 ILE 17 1.813 3.457 -0.319 112 2HG1 ILE 17 HG11 ILE 17 0.475 4.549 0.016 113 1HG2 ILE 17 HG21 ILE 17 1.704 1.499 2.634 114 2HG2 ILE 17 HG22 ILE 17 2.627 2.051 1.236 115 3HG2 ILE 17 HG23 ILE 17 1.267 0.949 1.017 116 1HD1 ILE 17 HD11 ILE 17 1.824 5.955 1.054 117 2HD1 ILE 17 HD12 ILE 17 3.181 4.947 0.553 118 3HD1 ILE 17 HD13 ILE 17 2.416 4.683 2.121 119 H ALA 18 HN ALA 18 -2.152 3.272 2.884 120 HA ALA 18 HA ALA 18 -2.035 0.847 4.436 121 1HB ALA 18 HB1 ALA 18 -3.912 2.339 5.686 122 2HB ALA 18 HB2 ALA 18 -3.020 3.593 4.823 123 3HB ALA 18 HB3 ALA 18 -2.176 2.519 5.939 124 H ASP 19 HN ASP 19 -4.391 2.495 2.397 125 HA ASP 19 HA ASP 19 -6.683 1.069 3.026 126 1HB ASP 19 HB2 ASP 19 -5.718 2.551 0.641 127 2HB ASP 19 HB1 ASP 19 -7.079 1.460 0.398 128 H LEU 20 HN LEU 20 -4.117 0.259 0.719 129 HA LEU 20 HA LEU 20 -5.346 -2.130 -0.210 130 1HB LEU 20 HB2 LEU 20 -2.393 -1.604 -0.257 131 2HB LEU 20 HB1 LEU 20 -3.349 -2.544 -1.385 132 HG LEU 20 HG LEU 20 -3.226 0.452 -1.128 133 1HD1 LEU 20 HD11 LEU 20 -1.452 -0.379 -2.442 134 2HD1 LEU 20 HD12 LEU 20 -2.670 0.206 -3.576 135 3HD1 LEU 20 HD13 LEU 20 -2.504 -1.523 -3.272 136 1HD2 LEU 20 HD21 LEU 20 -5.053 -1.099 -2.950 137 2HD2 LEU 20 HD22 LEU 20 -4.968 0.650 -2.739 138 3HD2 LEU 20 HD23 LEU 20 -5.575 -0.367 -1.433 139 H GLN 21 HN GLN 21 -2.669 -1.543 2.061 140 HA GLN 21 HA GLN 21 -2.085 -4.144 2.756 141 1HB GLN 21 HB2 GLN 21 -1.248 -1.684 3.595 142 2HB GLN 21 HB1 GLN 21 -2.085 -2.269 5.025 143 1HG GLN 21 HG2 GLN 21 -0.274 -4.209 3.781 144 2HG GLN 21 HG1 GLN 21 0.507 -2.771 4.434 145 1HE2 GLN 21 HE21 GLN 21 1.320 -4.831 5.678 146 2HE2 GLN 21 HE22 GLN 21 0.528 -5.100 7.190 147 H ALA 22 HN ALA 22 -4.756 -2.142 3.817 148 HA ALA 22 HA ALA 22 -5.588 -3.893 5.924 149 1HB ALA 22 HB1 ALA 22 -6.087 -1.405 5.714 150 2HB ALA 22 HB2 ALA 22 -7.418 -2.447 6.218 151 3HB ALA 22 HB3 ALA 22 -7.333 -1.867 4.555 152 H LYS 23 HN LYS 23 -6.271 -3.586 2.512 153 HA LYS 23 HA LYS 23 -8.578 -5.277 2.524 154 1HB LYS 23 HB2 LYS 23 -6.802 -4.149 0.381 155 2HB LYS 23 HB1 LYS 23 -8.014 -5.361 -0.011 156 1HG LYS 23 HG2 LYS 23 -9.747 -3.936 0.307 157 2HG LYS 23 HG1 LYS 23 -8.911 -3.023 1.565 158 1HD LYS 23 HD2 LYS 23 -9.156 -1.622 -0.375 159 2HD LYS 23 HD1 LYS 23 -7.452 -2.044 -0.191 160 1HE LYS 23 HE2 LYS 23 -7.942 -2.275 -2.491 161 2HE LYS 23 HE1 LYS 23 -7.866 -3.912 -1.839 162 1HZ LYS 23 HZ1 LYS 23 -10.441 -3.446 -1.545 163 2HZ LYS 23 HZ2 LYS 23 -9.797 -4.073 -2.978 164 3HZ LYS 23 HZ3 LYS 23 -10.155 -2.424 -2.864 165 H ARG 24 HN ARG 24 -5.134 -5.759 2.158 166 HA ARG 24 HA ARG 24 -5.302 -8.418 1.138 167 1HB ARG 24 HB2 ARG 24 -3.316 -7.056 0.773 168 2HB ARG 24 HB1 ARG 24 -3.032 -6.965 2.506 169 1HG ARG 24 HG2 ARG 24 -1.887 -8.858 2.477 170 2HG ARG 24 HG1 ARG 24 -3.219 -9.708 1.692 171 1HD ARG 24 HD2 ARG 24 -2.351 -8.479 -0.446 172 2HD ARG 24 HD1 ARG 24 -0.856 -8.343 0.479 173 HE ARG 24 HE ARG 24 -1.872 -10.677 -0.785 174 1HH1 ARG 24 HH11 ARG 24 -0.086 -9.591 2.009 175 2HH1 ARG 24 HH12 ARG 24 0.770 -11.084 2.200 176 1HH2 ARG 24 HH21 ARG 24 -0.748 -12.643 -0.537 177 2HH2 ARG 24 HH22 ARG 24 0.395 -12.817 0.754 178 H THR 25 HN THR 25 -4.762 -7.052 4.370 179 HA THR 25 HA THR 25 -4.392 -9.520 5.691 180 HB THR 25 HB THR 25 -5.630 -7.305 7.208 181 HG1 THR 25 HG1 THR 25 -3.679 -6.093 7.076 182 1HG2 THR 25 HG21 THR 25 -4.624 -9.178 8.378 183 2HG2 THR 25 HG22 THR 25 -3.763 -7.678 8.720 184 3HG2 THR 25 HG23 THR 25 -3.079 -8.850 7.594 185 H ARG 26 HN ARG 26 -7.258 -7.384 5.614 186 HA ARG 26 HA ARG 26 -9.018 -8.941 7.025 187 1HB ARG 26 HB2 ARG 26 -10.825 -7.873 5.714 188 2HB ARG 26 HB1 ARG 26 -9.618 -6.721 6.270 189 1HG ARG 26 HG2 ARG 26 -9.671 -5.979 4.164 190 2HG ARG 26 HG1 ARG 26 -8.641 -7.371 3.822 191 1HD ARG 26 HD2 ARG 26 -10.335 -8.560 2.849 192 2HD ARG 26 HD1 ARG 26 -11.584 -7.776 3.815 193 HE ARG 26 HE ARG 26 -10.409 -5.913 2.047 194 1HH1 ARG 26 HH11 ARG 26 -12.580 -8.645 2.079 195 2HH1 ARG 26 HH12 ARG 26 -13.451 -8.128 0.674 196 1HH2 ARG 26 HH21 ARG 26 -11.555 -5.230 0.201 197 2HH2 ARG 26 HH22 ARG 26 -12.871 -6.190 -0.391 198 H LEU 27 HN LEU 27 -8.068 -9.251 3.650 199 HA LEU 27 HA LEU 27 -9.920 -11.282 2.971 200 1HB LEU 27 HB2 LEU 27 -7.393 -10.224 1.797 201 2HB LEU 27 HB1 LEU 27 -7.966 -11.786 1.242 202 HG LEU 27 HG LEU 27 -9.597 -9.248 1.149 203 1HD1 LEU 27 HD11 LEU 27 -7.422 -9.701 -0.374 204 2HD1 LEU 27 HD12 LEU 27 -8.840 -8.806 -0.924 205 3HD1 LEU 27 HD13 LEU 27 -8.658 -10.511 -1.337 206 1HD2 LEU 27 HD21 LEU 27 -10.243 -11.530 -0.581 207 2HD2 LEU 27 HD22 LEU 27 -11.305 -10.459 0.333 208 3HD2 LEU 27 HD23 LEU 27 -10.502 -11.806 1.141 209 H VAL 28 HN VAL 28 -6.632 -11.298 4.258 210 HA VAL 28 HA VAL 28 -6.175 -14.070 4.116 211 HB VAL 28 HB VAL 28 -5.112 -12.197 6.223 212 1HG1 VAL 28 HG11 VAL 28 -3.615 -13.791 6.792 213 2HG1 VAL 28 HG12 VAL 28 -3.478 -14.404 5.144 214 3HG1 VAL 28 HG13 VAL 28 -4.851 -14.870 6.147 215 1HG2 VAL 28 HG21 VAL 28 -3.260 -12.671 4.095 216 2HG2 VAL 28 HG22 VAL 28 -3.911 -11.141 4.679 217 3HG2 VAL 28 HG23 VAL 28 -4.767 -12.042 3.429 218 H GLN 29 HN GLN 29 -7.495 -12.038 6.699 219 HA GLN 29 HA GLN 29 -7.852 -13.946 8.670 220 1HB GLN 29 HB2 GLN 29 -9.198 -11.389 7.965 221 2HB GLN 29 HB1 GLN 29 -10.041 -12.449 9.087 222 1HG GLN 29 HG2 GLN 29 -8.481 -12.184 10.731 223 2HG GLN 29 HG1 GLN 29 -7.175 -11.858 9.593 224 1HE2 GLN 29 HE21 GLN 29 -6.421 -9.898 9.915 225 2HE2 GLN 29 HE22 GLN 29 -7.361 -8.477 10.204 226 H GLN 30 HN GLN 30 -9.653 -13.352 5.749 227 HA GLN 30 HA GLN 30 -11.906 -14.966 6.376 228 1HB GLN 30 HB2 GLN 30 -11.349 -13.192 4.402 229 2HB GLN 30 HB1 GLN 30 -11.116 -14.706 3.539 230 1HG GLN 30 HG2 GLN 30 -13.310 -14.572 3.153 231 2HG GLN 30 HG1 GLN 30 -13.469 -15.181 4.799 232 1HE2 GLN 30 HE21 GLN 30 -15.182 -13.405 3.142 233 2HE2 GLN 30 HE22 GLN 30 -15.427 -11.992 4.106 234 H HIS 31 HN HIS 31 -8.735 -15.573 5.011 235 HA HIS 31 HA HIS 31 -9.322 -18.447 5.141 236 1HB HIS 31 HB2 HIS 31 -8.146 -18.877 3.053 237 2HB HIS 31 HB1 HIS 31 -9.496 -17.782 2.777 238 HD1 HIS 31 HD1 HIS 31 -8.626 -15.107 2.927 239 HD2 HIS 31 HD2 HIS 31 -5.915 -18.036 1.791 240 HE1 HIS 31 HE1 HIS 31 -6.808 -13.899 1.691 241 HE2 HIS 31 HE2 HIS 31 -5.072 -15.663 1.233 242 HA PRO 32 HA PRO 32 -5.380 -17.325 7.337 243 1HB PRO 32 HB2 PRO 32 -5.914 -18.725 9.594 244 2HB PRO 32 HB1 PRO 32 -6.475 -17.068 9.344 245 1HG PRO 32 HG2 PRO 32 -7.963 -19.643 9.003 246 2HG PRO 32 HG1 PRO 32 -8.504 -18.130 9.753 247 1HD PRO 32 HD2 PRO 32 -9.188 -18.839 7.227 248 2HD PRO 32 HD1 PRO 32 -8.978 -17.148 7.724 249 H ARG 33 HN ARG 33 -3.770 -18.878 8.329 250 HA ARG 33 HA ARG 33 -2.422 -20.698 8.120 251 1HB ARG 33 HB2 ARG 33 -4.963 -22.242 7.586 252 2HB ARG 33 HB1 ARG 33 -3.438 -22.880 8.185 253 1HG ARG 33 HG2 ARG 33 -3.806 -22.161 10.304 254 2HG ARG 33 HG1 ARG 33 -4.730 -20.750 9.783 255 1HD ARG 33 HD2 ARG 33 -6.659 -22.090 9.344 256 2HD ARG 33 HD1 ARG 33 -5.747 -23.579 9.591 257 HE ARG 33 HE ARG 33 -5.778 -21.852 11.887 258 1HH1 ARG 33 HH11 ARG 33 -7.486 -24.375 10.186 259 2HH1 ARG 33 HH12 ARG 33 -8.323 -24.931 11.595 260 1HH2 ARG 33 HH21 ARG 33 -6.880 -22.581 13.742 261 2HH2 ARG 33 HH22 ARG 33 -7.981 -23.912 13.614 262 H CYS 1 HN CYS 1 -16.383 -19.772 1.793 263 HA CYS 1 HA CYS 1 -17.709 -20.305 -0.474 264 1HB CYS 1 HB2 CYS 1 -15.659 -18.238 0.171 265 2HB CYS 1 HB1 CYS 1 -16.203 -18.368 -1.498 266 HG CYS 1 HG CYS 1 -17.696 -16.642 -0.223 267 H GLY 2 HN GLY 2 -14.165 -19.896 -0.612 268 1HA GLY 2 HA2 GLY 2 -14.048 -22.149 -2.496 269 2HA GLY 2 HA1 GLY 2 -13.386 -20.596 -2.987 270 H GLY 3 HN GLY 3 -11.792 -22.828 -2.968 271 1HA GLY 3 HA2 GLY 3 -10.382 -23.314 -0.592 272 2HA GLY 3 HA1 GLY 3 -9.763 -23.587 -2.213 273 H ASP 4 HN ASP 4 -8.289 -22.200 -3.060 274 HA ASP 4 HA ASP 4 -7.294 -20.119 -1.256 275 1HB ASP 4 HB2 ASP 4 -6.036 -21.352 -3.708 276 2HB ASP 4 HB1 ASP 4 -5.271 -20.167 -2.654 277 H ASN 5 HN ASN 5 -9.606 -20.043 -3.340 278 HA ASN 5 HA ASN 5 -9.010 -18.323 -5.423 279 1HB ASN 5 HB2 ASN 5 -11.327 -19.417 -4.343 280 2HB ASN 5 HB1 ASN 5 -11.569 -17.681 -4.177 281 1HD2 ASN 5 HD21 ASN 5 -10.145 -16.839 -6.433 282 2HD2 ASN 5 HD22 ASN 5 -11.011 -17.340 -7.842 283 H ILE 6 HN ILE 6 -9.328 -17.718 -2.033 284 HA ILE 6 HA ILE 6 -9.449 -14.849 -2.274 285 HB ILE 6 HB ILE 6 -8.804 -16.459 0.190 286 1HG1 ILE 6 HG12 ILE 6 -11.541 -15.560 0.080 287 2HG1 ILE 6 HG11 ILE 6 -11.185 -16.553 -1.329 288 1HG2 ILE 6 HG21 ILE 6 -8.382 -14.019 0.237 289 2HG2 ILE 6 HG22 ILE 6 -9.598 -14.548 1.401 290 3HG2 ILE 6 HG23 ILE 6 -10.093 -13.752 -0.093 291 1HD1 ILE 6 HD11 ILE 6 -11.495 -18.342 -0.074 292 2HD1 ILE 6 HD12 ILE 6 -11.675 -17.346 1.370 293 3HD1 ILE 6 HD13 ILE 6 -10.074 -17.891 0.868 294 H GLU 7 HN GLU 7 -7.065 -17.285 -1.343 295 HA GLU 7 HA GLU 7 -4.953 -15.618 -0.645 296 1HB GLU 7 HB2 GLU 7 -5.305 -18.304 -0.744 297 2HB GLU 7 HB1 GLU 7 -4.235 -18.075 -2.121 298 1HG GLU 7 HG2 GLU 7 -2.868 -16.644 -0.383 299 2HG GLU 7 HG1 GLU 7 -3.723 -17.663 0.773 300 H GLN 8 HN GLN 8 -6.212 -16.472 -3.766 301 HA GLN 8 HA GLN 8 -3.920 -15.541 -5.235 302 1HB GLN 8 HB2 GLN 8 -5.742 -17.278 -5.944 303 2HB GLN 8 HB1 GLN 8 -6.658 -15.856 -6.421 304 1HG GLN 8 HG2 GLN 8 -4.073 -15.537 -7.483 305 2HG GLN 8 HG1 GLN 8 -4.557 -17.201 -7.808 306 1HE2 GLN 8 HE21 GLN 8 -4.639 -16.708 -10.032 307 2HE2 GLN 8 HE22 GLN 8 -5.971 -15.837 -10.708 308 H LYS 9 HN LYS 9 -7.134 -14.332 -4.433 309 HA LYS 9 HA LYS 9 -7.037 -11.945 -5.894 310 1HB LYS 9 HB2 LYS 9 -8.554 -12.790 -3.440 311 2HB LYS 9 HB1 LYS 9 -8.708 -11.162 -4.087 312 1HG LYS 9 HG2 LYS 9 -9.581 -11.985 -6.147 313 2HG LYS 9 HG1 LYS 9 -9.224 -13.652 -5.693 314 1HD LYS 9 HD2 LYS 9 -11.385 -13.682 -5.056 315 2HD LYS 9 HD1 LYS 9 -10.773 -12.878 -3.609 316 1HE LYS 9 HE2 LYS 9 -11.399 -10.746 -4.416 317 2HE LYS 9 HE1 LYS 9 -11.680 -11.363 -6.044 318 1HZ LYS 9 HZ1 LYS 9 -13.402 -11.447 -3.706 319 2HZ LYS 9 HZ2 LYS 9 -13.395 -12.844 -4.660 320 3HZ LYS 9 HZ3 LYS 9 -13.805 -11.353 -5.346 321 H ILE 10 HN ILE 10 -5.832 -12.777 -2.694 322 HA ILE 10 HA ILE 10 -5.211 -10.099 -1.945 323 HB ILE 10 HB ILE 10 -3.718 -11.170 -0.234 324 1HG1 ILE 10 HG12 ILE 10 -4.985 -13.741 -1.189 325 2HG1 ILE 10 HG11 ILE 10 -3.328 -13.267 -1.549 326 1HG2 ILE 10 HG21 ILE 10 -5.832 -10.534 0.511 327 2HG2 ILE 10 HG22 ILE 10 -5.710 -12.227 0.988 328 3HG2 ILE 10 HG23 ILE 10 -6.643 -11.779 -0.440 329 1HD1 ILE 10 HD11 ILE 10 -2.831 -13.235 0.847 330 2HD1 ILE 10 HD12 ILE 10 -3.386 -14.816 0.298 331 3HD1 ILE 10 HD13 ILE 10 -4.482 -13.755 1.182 332 H ASP 11 HN ASP 11 -3.313 -12.761 -3.339 333 HA ASP 11 HA ASP 11 -0.785 -11.677 -3.262 334 1HB ASP 11 HB2 ASP 11 -1.748 -13.918 -4.329 335 2HB ASP 11 HB1 ASP 11 -1.644 -12.974 -5.812 336 H ASP 12 HN ASP 12 -3.472 -10.901 -5.343 337 HA ASP 12 HA ASP 12 -2.052 -9.234 -7.160 338 1HB ASP 12 HB2 ASP 12 -4.935 -9.650 -6.463 339 2HB ASP 12 HB1 ASP 12 -4.488 -8.233 -7.407 340 H ILE 13 HN ILE 13 -3.975 -8.616 -4.253 341 HA ILE 13 HA ILE 13 -3.698 -5.825 -4.202 342 HB ILE 13 HB ILE 13 -3.906 -7.624 -1.782 343 1HG1 ILE 13 HG12 ILE 13 -6.087 -6.531 -3.574 344 2HG1 ILE 13 HG11 ILE 13 -5.654 -8.225 -3.370 345 1HG2 ILE 13 HG21 ILE 13 -3.369 -5.256 -1.352 346 2HG2 ILE 13 HG22 ILE 13 -4.948 -5.719 -0.720 347 3HG2 ILE 13 HG23 ILE 13 -4.835 -4.788 -2.213 348 1HD1 ILE 13 HD11 ILE 13 -6.791 -6.435 -1.237 349 2HD1 ILE 13 HD12 ILE 13 -6.377 -8.139 -1.050 350 3HD1 ILE 13 HD13 ILE 13 -7.674 -7.662 -2.144 351 H ASP 14 HN ASP 14 -1.753 -8.384 -2.677 352 HA ASP 14 HA ASP 14 0.051 -6.884 -1.252 353 1HB ASP 14 HB2 ASP 14 -0.184 -9.525 -1.831 354 2HB ASP 14 HB1 ASP 14 1.246 -9.118 -2.774 355 H HIS 15 HN HIS 15 -0.093 -7.401 -4.713 356 HA HIS 15 HA HIS 15 2.480 -6.268 -5.259 357 1HB HIS 15 HB2 HIS 15 1.118 -7.879 -6.738 358 2HB HIS 15 HB1 HIS 15 0.205 -6.454 -7.224 359 HD1 HIS 15 HD1 HIS 15 3.120 -4.807 -7.024 360 HD2 HIS 15 HD2 HIS 15 1.997 -7.968 -9.475 361 HE1 HIS 15 HE1 HIS 15 4.664 -4.701 -9.006 362 HE2 HIS 15 HE2 HIS 15 4.023 -6.677 -10.433 363 H GLU 16 HN GLU 16 -0.753 -5.079 -4.844 364 HA GLU 16 HA GLU 16 -0.162 -2.488 -5.977 365 1HB GLU 16 HB2 GLU 16 -2.589 -3.199 -4.344 366 2HB GLU 16 HB1 GLU 16 -2.430 -1.946 -5.569 367 1HG GLU 16 HG2 GLU 16 -2.482 -3.492 -7.320 368 2HG GLU 16 HG1 GLU 16 -2.139 -4.849 -6.248 369 H ILE 17 HN ILE 17 -0.424 -3.970 -2.817 370 HA ILE 17 HA ILE 17 -0.447 -1.636 -1.248 371 HB ILE 17 HB ILE 17 0.772 -4.288 -0.470 372 1HG1 ILE 17 HG12 ILE 17 -2.058 -3.534 0.142 373 2HG1 ILE 17 HG11 ILE 17 -1.676 -4.216 -1.433 374 1HG2 ILE 17 HG21 ILE 17 0.675 -1.890 0.894 375 2HG2 ILE 17 HG22 ILE 17 0.934 -3.483 1.603 376 3HG2 ILE 17 HG23 ILE 17 -0.689 -2.795 1.550 377 1HD1 ILE 17 HD11 ILE 17 -2.058 -5.536 1.064 378 2HD1 ILE 17 HD12 ILE 17 -0.428 -5.857 0.471 379 3HD1 ILE 17 HD13 ILE 17 -1.824 -6.229 -0.541 380 H ALA 18 HN ALA 18 2.118 -3.466 -2.762 381 HA ALA 18 HA ALA 18 4.243 -2.098 -1.384 382 1HB ALA 18 HB1 ALA 18 5.108 -4.090 -1.959 383 2HB ALA 18 HB2 ALA 18 5.459 -3.296 -3.494 384 3HB ALA 18 HB3 ALA 18 4.009 -4.288 -3.325 385 H ASP 19 HN ASP 19 2.674 -1.895 -4.539 386 HA ASP 19 HA ASP 19 4.432 -0.208 -5.859 387 1HB ASP 19 HB2 ASP 19 2.056 -1.319 -6.497 388 2HB ASP 19 HB1 ASP 19 1.549 0.350 -6.250 389 H LEU 20 HN LEU 20 1.793 0.619 -3.645 390 HA LEU 20 HA LEU 20 2.098 3.430 -3.899 391 1HB LEU 20 HB2 LEU 20 0.955 2.032 -1.500 392 2HB LEU 20 HB1 LEU 20 0.558 3.623 -2.118 393 HG LEU 20 HG LEU 20 -0.240 0.948 -3.237 394 1HD1 LEU 20 HD11 LEU 20 -1.684 3.331 -2.126 395 2HD1 LEU 20 HD12 LEU 20 -1.747 1.652 -1.591 396 3HD1 LEU 20 HD13 LEU 20 -2.498 2.120 -3.117 397 1HD2 LEU 20 HD21 LEU 20 -0.653 3.624 -4.562 398 2HD2 LEU 20 HD22 LEU 20 -1.167 2.046 -5.158 399 3HD2 LEU 20 HD23 LEU 20 0.551 2.437 -5.066 400 H GLN 21 HN GLN 21 3.095 1.153 -1.348 401 HA GLN 21 HA GLN 21 4.342 2.907 0.365 402 1HB GLN 21 HB2 GLN 21 3.977 0.349 0.547 403 2HB GLN 21 HB1 GLN 21 5.552 0.222 -0.223 404 1HG GLN 21 HG2 GLN 21 5.901 2.061 1.840 405 2HG GLN 21 HG1 GLN 21 4.886 0.789 2.518 406 1HE2 GLN 21 HE21 GLN 21 8.007 1.648 1.381 407 2HE2 GLN 21 HE22 GLN 21 8.798 0.159 1.757 408 H ALA 22 HN ALA 22 5.589 1.511 -2.613 409 HA ALA 22 HA ALA 22 8.262 2.423 -2.294 410 1HB ALA 22 HB1 ALA 22 7.051 1.981 -4.987 411 2HB ALA 22 HB2 ALA 22 7.270 0.616 -3.893 412 3HB ALA 22 HB3 ALA 22 8.662 1.572 -4.399 413 H LYS 23 HN LYS 23 5.351 3.823 -3.650 414 HA LYS 23 HA LYS 23 6.591 5.989 -4.988 415 1HB LYS 23 HB2 LYS 23 3.921 5.055 -4.498 416 2HB LYS 23 HB1 LYS 23 4.000 6.781 -4.169 417 1HG LYS 23 HG2 LYS 23 3.357 6.375 -6.466 418 2HG LYS 23 HG1 LYS 23 4.935 7.160 -6.398 419 1HD LYS 23 HD2 LYS 23 5.568 5.537 -7.815 420 2HD LYS 23 HD1 LYS 23 5.632 4.527 -6.369 421 1HE LYS 23 HE2 LYS 23 3.765 3.378 -6.928 422 2HE LYS 23 HE1 LYS 23 2.990 4.783 -7.657 423 1HZ LYS 23 HZ1 LYS 23 5.308 3.671 -9.039 424 2HZ LYS 23 HZ2 LYS 23 3.896 4.353 -9.672 425 3HZ LYS 23 HZ3 LYS 23 3.879 2.767 -9.088 426 H ARG 24 HN ARG 24 5.415 5.534 -1.706 427 HA ARG 24 HA ARG 24 5.619 8.256 -0.913 428 1HB ARG 24 HB2 ARG 24 4.992 5.703 0.326 429 2HB ARG 24 HB1 ARG 24 5.957 6.720 1.387 430 1HG ARG 24 HG2 ARG 24 4.206 8.550 0.680 431 2HG ARG 24 HG1 ARG 24 3.210 7.134 0.342 432 1HD ARG 24 HD2 ARG 24 2.739 6.958 2.501 433 2HD ARG 24 HD1 ARG 24 4.449 6.720 2.849 434 HE ARG 24 HE ARG 24 3.535 9.465 2.555 435 1HH1 ARG 24 HH11 ARG 24 4.382 6.856 4.719 436 2HH1 ARG 24 HH12 ARG 24 4.639 7.902 6.074 437 1HH2 ARG 24 HH21 ARG 24 3.871 10.835 4.338 438 2HH2 ARG 24 HH22 ARG 24 4.348 10.157 5.859 439 H THR 25 HN THR 25 7.805 5.477 -0.648 440 HA THR 25 HA THR 25 9.798 6.741 0.878 441 HB THR 25 HB THR 25 10.702 4.728 -1.076 442 HG1 THR 25 HG1 THR 25 8.906 3.635 -0.845 443 1HG2 THR 25 HG21 THR 25 12.217 4.575 0.532 444 2HG2 THR 25 HG22 THR 25 10.994 3.707 1.460 445 3HG2 THR 25 HG23 THR 25 11.203 5.445 1.683 446 H ARG 26 HN ARG 26 9.723 6.108 -2.636 447 HA ARG 26 HA ARG 26 12.048 7.402 -3.339 448 1HB ARG 26 HB2 ARG 26 11.064 7.706 -5.573 449 2HB ARG 26 HB1 ARG 26 10.761 6.096 -4.935 450 1HG ARG 26 HG2 ARG 26 8.536 6.385 -4.902 451 2HG ARG 26 HG1 ARG 26 8.652 8.068 -4.390 452 1HD ARG 26 HD2 ARG 26 9.457 7.283 -7.158 453 2HD ARG 26 HD1 ARG 26 7.753 7.499 -6.762 454 HE ARG 26 HE ARG 26 8.882 9.771 -5.838 455 1HH1 ARG 26 HH11 ARG 26 9.033 8.129 -8.914 456 2HH1 ARG 26 HH12 ARG 26 9.261 9.585 -9.821 457 1HH2 ARG 26 HH21 ARG 26 9.181 11.687 -7.030 458 2HH2 ARG 26 HH22 ARG 26 9.345 11.606 -8.753 459 H LEU 27 HN LEU 27 8.890 8.792 -2.665 460 HA LEU 27 HA LEU 27 9.550 11.427 -3.505 461 1HB LEU 27 HB2 LEU 27 7.345 10.158 -1.973 462 2HB LEU 27 HB1 LEU 27 7.581 11.882 -1.753 463 HG LEU 27 HG LEU 27 7.498 10.946 -4.556 464 1HD1 LEU 27 HD11 LEU 27 4.830 11.337 -3.400 465 2HD1 LEU 27 HD12 LEU 27 5.629 9.833 -2.942 466 3HD1 LEU 27 HD13 LEU 27 5.379 10.216 -4.646 467 1HD2 LEU 27 HD21 LEU 27 5.885 13.007 -4.513 468 2HD2 LEU 27 HD22 LEU 27 7.631 13.234 -4.410 469 3HD2 LEU 27 HD23 LEU 27 6.643 13.308 -2.951 470 H VAL 28 HN VAL 28 9.761 9.655 -0.468 471 HA VAL 28 HA VAL 28 10.415 11.836 1.197 472 HB VAL 28 HB VAL 28 11.363 8.991 1.511 473 1HG1 VAL 28 HG11 VAL 28 11.306 11.381 3.276 474 2HG1 VAL 28 HG12 VAL 28 12.526 10.117 3.123 475 3HG1 VAL 28 HG13 VAL 28 11.030 9.797 4.002 476 1HG2 VAL 28 HG21 VAL 28 8.701 10.051 1.574 477 2HG2 VAL 28 HG22 VAL 28 9.152 9.481 3.180 478 3HG2 VAL 28 HG23 VAL 28 9.242 8.389 1.799 479 H GLN 29 HN GLN 29 12.396 9.584 -0.679 480 HA GLN 29 HA GLN 29 14.925 10.443 0.095 481 1HB GLN 29 HB2 GLN 29 13.784 9.050 -2.247 482 2HB GLN 29 HB1 GLN 29 15.315 9.865 -2.538 483 1HG GLN 29 HG2 GLN 29 16.146 7.888 -1.861 484 2HG GLN 29 HG1 GLN 29 15.934 8.609 -0.267 485 1HE2 GLN 29 HE21 GLN 29 15.202 7.156 1.096 486 2HE2 GLN 29 HE22 GLN 29 13.979 5.978 0.777 487 H GLN 30 HN GLN 30 12.575 11.856 -2.049 488 HA GLN 30 HA GLN 30 14.324 13.785 -3.225 489 1HB GLN 30 HB2 GLN 30 12.045 12.928 -4.092 490 2HB GLN 30 HB1 GLN 30 11.342 14.095 -2.979 491 1HG GLN 30 HG2 GLN 30 11.432 15.433 -4.781 492 2HG GLN 30 HG1 GLN 30 13.090 15.685 -4.237 493 1HE2 GLN 30 HE21 GLN 30 12.053 15.946 -6.904 494 2HE2 GLN 30 HE22 GLN 30 12.907 14.815 -7.890 495 H HIS 31 HN HIS 31 12.381 13.620 -0.322 496 HA HIS 31 HA HIS 31 13.563 16.138 0.554 497 1HB HIS 31 HB2 HIS 31 11.462 17.072 1.325 498 2HB HIS 31 HB1 HIS 31 11.370 16.753 -0.404 499 HD1 HIS 31 HD1 HIS 31 10.157 14.344 -0.966 500 HD2 HIS 31 HD2 HIS 31 9.350 16.089 2.710 501 HE1 HIS 31 HE1 HIS 31 8.013 13.304 -0.184 502 HE2 HIS 31 HE2 HIS 31 7.686 14.204 2.144 503 HA PRO 32 HA PRO 32 13.308 12.820 3.833 504 1HB PRO 32 HB2 PRO 32 15.932 12.358 4.159 505 2HB PRO 32 HB1 PRO 32 15.002 11.568 2.879 506 1HG PRO 32 HG2 PRO 32 16.824 13.936 2.714 507 2HG PRO 32 HG1 PRO 32 16.669 12.563 1.603 508 1HD PRO 32 HD2 PRO 32 15.513 15.015 1.179 509 2HD PRO 32 HD1 PRO 32 14.885 13.496 0.512 510 H ARG 33 HN ARG 33 15.458 15.589 3.460 511 HA ARG 33 HA ARG 33 14.681 16.779 5.887 512 1HB ARG 33 HB2 ARG 33 16.774 16.554 7.165 513 2HB ARG 33 HB1 ARG 33 15.975 15.004 6.933 514 1HG ARG 33 HG2 ARG 33 18.014 15.761 4.932 515 2HG ARG 33 HG1 ARG 33 18.588 15.368 6.553 516 1HD ARG 33 HD2 ARG 33 16.613 13.460 5.677 517 2HD ARG 33 HD1 ARG 33 17.923 13.585 4.503 518 HE ARG 33 HE ARG 33 18.848 13.342 7.205 519 1HH1 ARG 33 HH11 ARG 33 17.751 11.571 4.405 520 2HH1 ARG 33 HH12 ARG 33 18.574 10.114 4.848 521 1HH2 ARG 33 HH21 ARG 33 19.933 11.426 7.790 522 2HH2 ARG 33 HH22 ARG 33 19.812 10.030 6.770 Start of MODEL 15 1 H CYS 1 HT1 CYS 1 10.296 20.230 7.677 2 HA CYS 1 HA CYS 1 11.244 20.567 5.613 3 1HB CYS 1 HB2 CYS 1 12.682 18.371 6.096 4 2HB CYS 1 HB1 CYS 1 11.470 17.649 5.043 5 HG CYS 1 HG CYS 1 13.226 18.385 3.407 6 H GLY 2 HN GLY 2 10.266 20.048 3.433 7 1HA GLY 2 HA2 GLY 2 8.490 19.290 2.103 8 2HA GLY 2 HA1 GLY 2 7.745 18.595 3.536 9 H GLY 3 HN GLY 3 5.748 19.466 3.559 10 1HA GLY 3 HA2 GLY 3 4.079 21.041 3.637 11 2HA GLY 3 HA1 GLY 3 5.268 22.035 4.470 12 H ASP 4 HN ASP 4 5.615 20.882 1.178 13 HA ASP 4 HA ASP 4 5.274 23.646 0.239 14 1HB ASP 4 HB2 ASP 4 7.318 21.573 -0.543 15 2HB ASP 4 HB1 ASP 4 6.990 22.991 -1.537 16 H ASN 5 HN ASN 5 5.900 20.738 -1.622 17 HA ASN 5 HA ASN 5 3.162 20.633 -2.599 18 1HB ASN 5 HB2 ASN 5 5.076 22.055 -4.033 19 2HB ASN 5 HB1 ASN 5 5.046 20.481 -4.823 20 1HD2 ASN 5 HD21 ASN 5 2.668 22.707 -3.406 21 2HD2 ASN 5 HD22 ASN 5 1.579 22.664 -4.746 22 H ILE 6 HN ILE 6 6.457 19.383 -2.815 23 HA ILE 6 HA ILE 6 5.798 16.820 -3.806 24 HB ILE 6 HB ILE 6 8.137 17.235 -1.979 25 1HG1 ILE 6 HG12 ILE 6 7.817 18.367 -4.761 26 2HG1 ILE 6 HG11 ILE 6 8.297 19.214 -3.295 27 1HG2 ILE 6 HG21 ILE 6 9.214 15.672 -3.446 28 2HG2 ILE 6 HG22 ILE 6 7.850 15.724 -4.563 29 3HG2 ILE 6 HG23 ILE 6 7.646 15.033 -2.953 30 1HD1 ILE 6 HD11 ILE 6 10.394 18.946 -3.941 31 2HD1 ILE 6 HD12 ILE 6 9.917 17.857 -5.243 32 3HD1 ILE 6 HD13 ILE 6 10.208 17.221 -3.624 33 H GLU 7 HN GLU 7 6.517 18.000 -0.556 34 HA GLU 7 HA GLU 7 6.137 15.661 0.877 35 1HB GLU 7 HB2 GLU 7 7.065 17.713 1.851 36 2HB GLU 7 HB1 GLU 7 5.491 18.492 1.737 37 1HG GLU 7 HG2 GLU 7 6.062 17.674 4.010 38 2HG GLU 7 HG1 GLU 7 4.562 17.010 3.364 39 H GLN 8 HN GLN 8 3.761 17.936 -0.345 40 HA GLN 8 HA GLN 8 1.560 16.774 1.076 41 1HB GLN 8 HB2 GLN 8 1.758 19.168 0.142 42 2HB GLN 8 HB1 GLN 8 1.318 18.457 -1.405 43 1HG GLN 8 HG2 GLN 8 -0.641 19.358 -0.362 44 2HG GLN 8 HG1 GLN 8 -0.755 17.598 -0.386 45 1HE2 GLN 8 HE21 GLN 8 -2.185 17.486 1.311 46 2HE2 GLN 8 HE22 GLN 8 -1.741 17.850 2.940 47 H LYS 9 HN LYS 9 2.974 16.436 -2.120 48 HA LYS 9 HA LYS 9 0.961 14.968 -3.367 49 1HB LYS 9 HB2 LYS 9 3.390 15.893 -4.130 50 2HB LYS 9 HB1 LYS 9 3.738 14.175 -3.989 51 1HG LYS 9 HG2 LYS 9 1.801 13.729 -5.490 52 2HG LYS 9 HG1 LYS 9 1.649 15.472 -5.724 53 1HD LYS 9 HD2 LYS 9 3.027 15.130 -7.467 54 2HD LYS 9 HD1 LYS 9 4.291 15.096 -6.237 55 1HE LYS 9 HE2 LYS 9 4.474 12.801 -6.298 56 2HE LYS 9 HE1 LYS 9 2.830 12.580 -6.895 57 1HZ LYS 9 HZ1 LYS 9 3.908 12.204 -8.818 58 2HZ LYS 9 HZ2 LYS 9 5.286 13.075 -8.365 59 3HZ LYS 9 HZ3 LYS 9 3.918 13.892 -8.932 60 H ILE 10 HN ILE 10 3.692 13.856 -1.399 61 HA ILE 10 HA ILE 10 3.113 11.099 -1.702 62 HB ILE 10 HB ILE 10 4.493 10.831 0.402 63 1HG1 ILE 10 HG12 ILE 10 5.125 13.750 -0.042 64 2HG1 ILE 10 HG11 ILE 10 4.034 13.174 1.215 65 1HG2 ILE 10 HG21 ILE 10 5.478 10.479 -1.737 66 2HG2 ILE 10 HG22 ILE 10 6.605 11.445 -0.785 67 3HG2 ILE 10 HG23 ILE 10 5.613 12.214 -2.023 68 1HD1 ILE 10 HD11 ILE 10 6.127 13.516 2.236 69 2HD1 ILE 10 HD12 ILE 10 6.976 12.661 0.950 70 3HD1 ILE 10 HD13 ILE 10 5.939 11.772 2.064 71 H ASP 11 HN ASP 11 2.236 13.483 0.784 72 HA ASP 11 HA ASP 11 1.112 11.879 2.699 73 1HB ASP 11 HB2 ASP 11 1.221 14.524 2.408 74 2HB ASP 11 HB1 ASP 11 -0.444 14.294 1.883 75 H ASP 12 HN ASP 12 -0.160 12.768 -0.427 76 HA ASP 12 HA ASP 12 -2.771 11.699 -0.060 77 1HB ASP 12 HB2 ASP 12 -1.656 13.259 -1.967 78 2HB ASP 12 HB1 ASP 12 -1.605 11.703 -2.789 79 H ILE 13 HN ILE 13 0.201 10.472 -1.546 80 HA ILE 13 HA ILE 13 -0.779 7.954 -2.302 81 HB ILE 13 HB ILE 13 2.050 8.576 -1.446 82 1HG1 ILE 13 HG12 ILE 13 0.728 8.900 -4.150 83 2HG1 ILE 13 HG11 ILE 13 1.315 10.200 -3.118 84 1HG2 ILE 13 HG21 ILE 13 0.915 6.168 -2.119 85 2HG2 ILE 13 HG22 ILE 13 2.632 6.558 -2.206 86 3HG2 ILE 13 HG23 ILE 13 1.620 6.709 -3.642 87 1HD1 ILE 13 HD11 ILE 13 3.151 8.064 -4.130 88 2HD1 ILE 13 HD12 ILE 13 3.546 9.672 -3.524 89 3HD1 ILE 13 HD13 ILE 13 2.760 9.490 -5.092 90 H ASP 14 HN ASP 14 0.913 8.986 0.655 91 HA ASP 14 HA ASP 14 1.138 6.609 1.993 92 1HB ASP 14 HB2 ASP 14 1.545 9.235 2.639 93 2HB ASP 14 HB1 ASP 14 0.204 8.816 3.699 94 H HIS 15 HN HIS 15 -1.740 8.547 1.507 95 HA HIS 15 HA HIS 15 -3.349 7.088 3.378 96 1HB HIS 15 HB2 HIS 15 -3.697 9.490 2.436 97 2HB HIS 15 HB1 HIS 15 -4.461 8.668 1.079 98 HD1 HIS 15 HD1 HIS 15 -5.325 6.610 3.776 99 HD2 HIS 15 HD2 HIS 15 -6.569 10.384 2.558 100 HE1 HIS 15 HE1 HIS 15 -7.560 6.966 4.870 101 HE2 HIS 15 HE2 HIS 15 -8.331 9.221 4.053 102 H GLU 16 HN GLU 16 -2.492 6.795 0.025 103 HA GLU 16 HA GLU 16 -4.569 4.869 -0.541 104 1HB GLU 16 HB2 GLU 16 -2.195 5.480 -2.288 105 2HB GLU 16 HB1 GLU 16 -3.774 4.873 -2.771 106 1HG GLU 16 HG2 GLU 16 -3.547 7.557 -1.488 107 2HG GLU 16 HG1 GLU 16 -3.139 7.356 -3.192 108 H ILE 17 HN ILE 17 -1.154 4.893 0.210 109 HA ILE 17 HA ILE 17 -0.545 2.229 -0.461 110 HB ILE 17 HB ILE 17 0.735 3.846 1.746 111 1HG1 ILE 17 HG12 ILE 17 1.815 3.745 -1.038 112 2HG1 ILE 17 HG11 ILE 17 0.510 4.868 -0.678 113 1HG2 ILE 17 HG21 ILE 17 1.807 1.886 1.997 114 2HG2 ILE 17 HG22 ILE 17 2.708 2.407 0.573 115 3HG2 ILE 17 HG23 ILE 17 1.340 1.307 0.399 116 1HD1 ILE 17 HD11 ILE 17 3.302 5.120 -0.169 117 2HD1 ILE 17 HD12 ILE 17 2.422 5.171 1.359 118 3HD1 ILE 17 HD13 ILE 17 2.015 6.302 0.068 119 H ALA 18 HN ALA 18 -1.928 3.724 2.386 120 HA ALA 18 HA ALA 18 -1.768 1.360 4.014 121 1HB ALA 18 HB1 ALA 18 -3.549 2.935 5.307 122 2HB ALA 18 HB2 ALA 18 -2.682 4.134 4.348 123 3HB ALA 18 HB3 ALA 18 -1.799 3.086 5.457 124 H ASP 19 HN ASP 19 -4.215 2.949 2.039 125 HA ASP 19 HA ASP 19 -6.481 1.578 2.873 126 1HB ASP 19 HB2 ASP 19 -5.654 2.930 0.354 127 2HB ASP 19 HB1 ASP 19 -7.060 1.872 0.278 128 H LEU 20 HN LEU 20 -4.155 0.696 0.336 129 HA LEU 20 HA LEU 20 -5.410 -1.713 -0.412 130 1HB LEU 20 HB2 LEU 20 -2.449 -1.257 -0.570 131 2HB LEU 20 HB1 LEU 20 -3.463 -2.207 -1.638 132 HG LEU 20 HG LEU 20 -3.203 0.782 -1.493 133 1HD1 LEU 20 HD11 LEU 20 -1.607 -0.069 -2.943 134 2HD1 LEU 20 HD12 LEU 20 -2.947 0.332 -4.017 135 3HD1 LEU 20 HD13 LEU 20 -2.675 -1.342 -3.531 136 1HD2 LEU 20 HD21 LEU 20 -5.506 -0.840 -2.371 137 2HD2 LEU 20 HD22 LEU 20 -4.987 0.435 -3.474 138 3HD2 LEU 20 HD23 LEU 20 -5.439 0.833 -1.816 139 H GLN 21 HN GLN 21 -2.604 -1.145 1.712 140 HA GLN 21 HA GLN 21 -2.046 -3.715 2.479 141 1HB GLN 21 HB2 GLN 21 -0.979 -1.427 3.171 142 2HB GLN 21 HB1 GLN 21 -2.062 -1.550 4.551 143 1HG GLN 21 HG2 GLN 21 -1.064 -3.812 4.996 144 2HG GLN 21 HG1 GLN 21 0.140 -3.436 3.765 145 1HE2 GLN 21 HE21 GLN 21 -0.604 -3.272 7.005 146 2HE2 GLN 21 HE22 GLN 21 0.592 -2.128 7.500 147 H ALA 22 HN ALA 22 -4.737 -1.726 3.455 148 HA ALA 22 HA ALA 22 -5.538 -3.346 5.667 149 1HB ALA 22 HB1 ALA 22 -7.316 -1.896 5.917 150 2HB ALA 22 HB2 ALA 22 -7.439 -1.581 4.186 151 3HB ALA 22 HB3 ALA 22 -6.124 -0.870 5.121 152 H LYS 23 HN LYS 23 -6.322 -3.227 2.245 153 HA LYS 23 HA LYS 23 -8.529 -5.006 2.350 154 1HB LYS 23 HB2 LYS 23 -6.754 -4.687 -0.056 155 2HB LYS 23 HB1 LYS 23 -8.482 -5.002 -0.002 156 1HG LYS 23 HG2 LYS 23 -7.063 -2.422 0.602 157 2HG LYS 23 HG1 LYS 23 -8.184 -2.762 -0.716 158 1HD LYS 23 HD2 LYS 23 -9.980 -3.113 0.943 159 2HD LYS 23 HD1 LYS 23 -8.849 -2.680 2.226 160 1HE LYS 23 HE2 LYS 23 -8.517 -0.484 1.052 161 2HE LYS 23 HE1 LYS 23 -9.851 -0.930 -0.011 162 1HZ LYS 23 HZ1 LYS 23 -11.048 0.140 1.543 163 2HZ LYS 23 HZ2 LYS 23 -9.899 -0.080 2.763 164 3HZ LYS 23 HZ3 LYS 23 -10.963 -1.334 2.368 165 H ARG 24 HN ARG 24 -5.068 -5.462 2.109 166 HA ARG 24 HA ARG 24 -5.182 -8.203 1.323 167 1HB ARG 24 HB2 ARG 24 -3.207 -6.831 0.887 168 2HB ARG 24 HB1 ARG 24 -2.951 -6.621 2.613 169 1HG ARG 24 HG2 ARG 24 -1.969 -8.622 2.840 170 2HG ARG 24 HG1 ARG 24 -3.096 -9.414 1.737 171 1HD ARG 24 HD2 ARG 24 -1.680 -7.793 0.050 172 2HD ARG 24 HD1 ARG 24 -0.455 -8.263 1.227 173 HE ARG 24 HE ARG 24 -1.707 -9.943 -0.741 174 1HH1 ARG 24 HH11 ARG 24 -0.045 -9.880 2.327 175 2HH1 ARG 24 HH12 ARG 24 0.508 -11.516 2.203 176 1HH2 ARG 24 HH21 ARG 24 -0.981 -12.094 -0.906 177 2HH2 ARG 24 HH22 ARG 24 -0.022 -12.773 0.366 178 H THR 25 HN THR 25 -4.773 -6.545 4.429 179 HA THR 25 HA THR 25 -4.345 -8.848 5.990 180 HB THR 25 HB THR 25 -5.778 -6.607 7.262 181 HG1 THR 25 HG1 THR 25 -4.455 -5.081 6.680 182 1HG2 THR 25 HG21 THR 25 -4.763 -8.000 8.800 183 2HG2 THR 25 HG22 THR 25 -3.617 -6.668 8.651 184 3HG2 THR 25 HG23 THR 25 -3.311 -8.192 7.819 185 H ARG 26 HN ARG 26 -7.321 -6.924 5.559 186 HA ARG 26 HA ARG 26 -9.055 -8.431 7.060 187 1HB ARG 26 HB2 ARG 26 -10.854 -7.555 5.675 188 2HB ARG 26 HB1 ARG 26 -9.658 -6.302 5.978 189 1HG ARG 26 HG2 ARG 26 -8.683 -6.779 3.740 190 2HG ARG 26 HG1 ARG 26 -10.027 -7.886 3.447 191 1HD ARG 26 HD2 ARG 26 -10.223 -4.929 4.003 192 2HD ARG 26 HD1 ARG 26 -10.484 -5.721 2.451 193 HE ARG 26 HE ARG 26 -12.211 -6.782 4.435 194 1HH1 ARG 26 HH11 ARG 26 -11.756 -4.001 2.378 195 2HH1 ARG 26 HH12 ARG 26 -13.440 -3.604 2.330 196 1HH2 ARG 26 HH21 ARG 26 -14.429 -6.262 4.373 197 2HH2 ARG 26 HH22 ARG 26 -14.958 -4.888 3.461 198 H LEU 27 HN LEU 27 -8.064 -8.952 3.709 199 HA LEU 27 HA LEU 27 -9.734 -11.167 3.207 200 1HB LEU 27 HB2 LEU 27 -7.400 -9.909 1.930 201 2HB LEU 27 HB1 LEU 27 -7.555 -11.629 1.625 202 HG LEU 27 HG LEU 27 -10.058 -10.932 1.055 203 1HD1 LEU 27 HD11 LEU 27 -9.433 -8.523 1.660 204 2HD1 LEU 27 HD12 LEU 27 -10.315 -8.796 0.157 205 3HD1 LEU 27 HD13 LEU 27 -8.577 -8.501 0.118 206 1HD2 LEU 27 HD21 LEU 27 -8.081 -11.924 -0.355 207 2HD2 LEU 27 HD22 LEU 27 -8.034 -10.299 -1.038 208 3HD2 LEU 27 HD23 LEU 27 -9.509 -11.259 -1.148 209 H VAL 28 HN VAL 28 -6.502 -10.861 4.592 210 HA VAL 28 HA VAL 28 -5.839 -13.594 4.648 211 HB VAL 28 HB VAL 28 -5.021 -11.503 6.661 212 1HG1 VAL 28 HG11 VAL 28 -3.546 -12.970 7.504 213 2HG1 VAL 28 HG12 VAL 28 -3.142 -13.624 5.918 214 3HG1 VAL 28 HG13 VAL 28 -4.583 -14.188 6.764 215 1HG2 VAL 28 HG21 VAL 28 -3.803 -10.508 5.092 216 2HG2 VAL 28 HG22 VAL 28 -4.501 -11.587 3.886 217 3HG2 VAL 28 HG23 VAL 28 -3.007 -12.033 4.709 218 H GLN 29 HN GLN 29 -7.499 -11.523 6.987 219 HA GLN 29 HA GLN 29 -7.801 -13.310 9.082 220 1HB GLN 29 HB2 GLN 29 -9.284 -10.933 8.114 221 2HB GLN 29 HB1 GLN 29 -10.163 -11.998 9.203 222 1HG GLN 29 HG2 GLN 29 -9.212 -10.487 10.652 223 2HG GLN 29 HG1 GLN 29 -8.057 -11.819 10.691 224 1HE2 GLN 29 HE21 GLN 29 -8.716 -8.696 9.192 225 2HE2 GLN 29 HE22 GLN 29 -7.061 -8.259 8.948 226 H GLN 30 HN GLN 30 -9.508 -13.058 6.044 227 HA GLN 30 HA GLN 30 -11.610 -14.861 6.657 228 1HB GLN 30 HB2 GLN 30 -10.447 -14.262 3.932 229 2HB GLN 30 HB1 GLN 30 -12.053 -14.887 4.283 230 1HG GLN 30 HG2 GLN 30 -12.597 -12.775 5.424 231 2HG GLN 30 HG1 GLN 30 -11.009 -12.152 4.979 232 1HE2 GLN 30 HE21 GLN 30 -13.496 -13.987 3.235 233 2HE2 GLN 30 HE22 GLN 30 -13.627 -12.883 1.913 234 H HIS 31 HN HIS 31 -8.311 -15.232 5.544 235 HA HIS 31 HA HIS 31 -8.605 -18.127 5.871 236 1HB HIS 31 HB2 HIS 31 -7.358 -18.618 3.840 237 2HB HIS 31 HB1 HIS 31 -8.804 -17.693 3.453 238 HD1 HIS 31 HD1 HIS 31 -8.065 -14.887 3.601 239 HD2 HIS 31 HD2 HIS 31 -5.340 -17.730 2.293 240 HE1 HIS 31 HE1 HIS 31 -6.387 -13.627 2.226 241 HE2 HIS 31 HE2 HIS 31 -4.631 -15.335 1.646 242 HA PRO 32 HA PRO 32 -4.896 -16.489 8.091 243 1HB PRO 32 HB2 PRO 32 -5.207 -18.082 10.271 244 2HB PRO 32 HB1 PRO 32 -6.024 -16.524 10.092 245 1HG PRO 32 HG2 PRO 32 -7.076 -19.284 9.598 246 2HG PRO 32 HG1 PRO 32 -7.861 -17.916 10.409 247 1HD PRO 32 HD2 PRO 32 -8.406 -18.591 7.847 248 2HD PRO 32 HD1 PRO 32 -8.449 -16.910 8.418 249 H ARG 33 HN ARG 33 -6.030 -19.728 7.382 250 HA ARG 33 HA ARG 33 -3.304 -20.545 6.791 251 1HB ARG 33 HB2 ARG 33 -3.657 -22.706 8.065 252 2HB ARG 33 HB1 ARG 33 -3.384 -21.272 9.044 253 1HG ARG 33 HG2 ARG 33 -6.122 -21.341 8.801 254 2HG ARG 33 HG1 ARG 33 -5.685 -23.046 8.926 255 1HD ARG 33 HD2 ARG 33 -4.376 -21.170 10.809 256 2HD ARG 33 HD1 ARG 33 -6.091 -21.491 11.060 257 HE ARG 33 HE ARG 33 -3.902 -23.298 11.508 258 1HH1 ARG 33 HH11 ARG 33 -7.319 -23.055 10.843 259 2HH1 ARG 33 HH12 ARG 33 -7.687 -24.608 11.513 260 1HH2 ARG 33 HH21 ARG 33 -4.385 -25.342 12.391 261 2HH2 ARG 33 HH22 ARG 33 -6.021 -25.906 12.394 262 H CYS 1 HN CYS 1 -14.723 -23.354 3.112 263 HA CYS 1 HA CYS 1 -15.327 -23.384 0.752 264 1HB CYS 1 HB2 CYS 1 -16.134 -20.796 2.098 265 2HB CYS 1 HB1 CYS 1 -16.899 -21.471 0.664 266 HG CYS 1 HG CYS 1 -17.010 -22.969 3.388 267 H GLY 2 HN GLY 2 -14.073 -23.157 -0.984 268 1HA GLY 2 HA2 GLY 2 -13.429 -21.709 -2.799 269 2HA GLY 2 HA1 GLY 2 -13.092 -20.452 -1.619 270 H GLY 3 HN GLY 3 -11.710 -22.405 0.156 271 1HA GLY 3 HA2 GLY 3 -9.631 -23.379 0.421 272 2HA GLY 3 HA1 GLY 3 -9.471 -23.416 -1.328 273 H ASP 4 HN ASP 4 -8.198 -21.947 -2.310 274 HA ASP 4 HA ASP 4 -6.962 -19.905 -0.587 275 1HB ASP 4 HB2 ASP 4 -5.909 -21.182 -3.112 276 2HB ASP 4 HB1 ASP 4 -5.070 -19.964 -2.156 277 H ASN 5 HN ASN 5 -9.448 -19.916 -2.470 278 HA ASN 5 HA ASN 5 -9.068 -18.240 -4.634 279 1HB ASN 5 HB2 ASN 5 -11.236 -19.411 -3.577 280 2HB ASN 5 HB1 ASN 5 -11.497 -17.775 -2.976 281 1HD2 ASN 5 HD21 ASN 5 -10.232 -19.106 -6.014 282 2HD2 ASN 5 HD22 ASN 5 -11.323 -18.247 -7.041 283 H ILE 6 HN ILE 6 -9.098 -17.546 -1.244 284 HA ILE 6 HA ILE 6 -9.262 -14.684 -1.562 285 HB ILE 6 HB ILE 6 -8.446 -16.228 0.896 286 1HG1 ILE 6 HG12 ILE 6 -11.193 -15.247 0.838 287 2HG1 ILE 6 HG11 ILE 6 -10.888 -16.444 -0.416 288 1HG2 ILE 6 HG21 ILE 6 -7.991 -13.784 0.825 289 2HG2 ILE 6 HG22 ILE 6 -9.094 -14.275 2.111 290 3HG2 ILE 6 HG23 ILE 6 -9.725 -13.514 0.651 291 1HD1 ILE 6 HD11 ILE 6 -11.432 -17.880 1.217 292 2HD1 ILE 6 HD12 ILE 6 -11.017 -16.745 2.502 293 3HD1 ILE 6 HD13 ILE 6 -9.747 -17.663 1.692 294 H GLU 7 HN GLU 7 -6.803 -17.088 -0.750 295 HA GLU 7 HA GLU 7 -4.652 -15.394 -0.257 296 1HB GLU 7 HB2 GLU 7 -4.977 -18.066 -0.215 297 2HB GLU 7 HB1 GLU 7 -4.081 -17.908 -1.719 298 1HG GLU 7 HG2 GLU 7 -2.570 -16.362 -0.138 299 2HG GLU 7 HG1 GLU 7 -3.211 -17.482 1.064 300 H GLN 8 HN GLN 8 -6.143 -16.339 -3.245 301 HA GLN 8 HA GLN 8 -3.977 -15.425 -4.908 302 1HB GLN 8 HB2 GLN 8 -5.685 -17.236 -5.499 303 2HB GLN 8 HB1 GLN 8 -6.821 -15.923 -5.776 304 1HG GLN 8 HG2 GLN 8 -5.996 -16.378 -7.889 305 2HG GLN 8 HG1 GLN 8 -5.045 -14.987 -7.372 306 1HE2 GLN 8 HE21 GLN 8 -4.940 -18.530 -7.146 307 2HE2 GLN 8 HE22 GLN 8 -3.255 -18.673 -7.500 308 H LYS 9 HN LYS 9 -7.150 -14.253 -3.914 309 HA LYS 9 HA LYS 9 -7.213 -11.912 -5.448 310 1HB LYS 9 HB2 LYS 9 -8.591 -12.880 -2.997 311 2HB LYS 9 HB1 LYS 9 -8.662 -11.155 -3.331 312 1HG LYS 9 HG2 LYS 9 -9.542 -11.696 -5.596 313 2HG LYS 9 HG1 LYS 9 -9.615 -13.389 -5.106 314 1HD LYS 9 HD2 LYS 9 -10.948 -12.329 -3.062 315 2HD LYS 9 HD1 LYS 9 -11.292 -11.088 -4.268 316 1HE LYS 9 HE2 LYS 9 -11.788 -14.043 -4.617 317 2HE LYS 9 HE1 LYS 9 -13.016 -12.850 -4.197 318 1HZ LYS 9 HZ1 LYS 9 -12.194 -11.700 -6.350 319 2HZ LYS 9 HZ2 LYS 9 -13.253 -13.014 -6.462 320 3HZ LYS 9 HZ3 LYS 9 -11.601 -13.235 -6.746 321 H ILE 10 HN ILE 10 -5.716 -12.629 -2.348 322 HA ILE 10 HA ILE 10 -5.104 -9.913 -1.731 323 HB ILE 10 HB ILE 10 -3.450 -10.896 -0.116 324 1HG1 ILE 10 HG12 ILE 10 -4.745 -13.518 -0.879 325 2HG1 ILE 10 HG11 ILE 10 -3.127 -13.035 -1.375 326 1HG2 ILE 10 HG21 ILE 10 -5.078 -11.059 1.440 327 2HG2 ILE 10 HG22 ILE 10 -6.021 -12.207 0.488 328 3HG2 ILE 10 HG23 ILE 10 -6.084 -10.486 0.111 329 1HD1 ILE 10 HD11 ILE 10 -2.450 -12.920 0.969 330 2HD1 ILE 10 HD12 ILE 10 -3.036 -14.524 0.525 331 3HD1 ILE 10 HD13 ILE 10 -4.067 -13.433 1.452 332 H ASP 11 HN ASP 11 -3.270 -12.584 -3.190 333 HA ASP 11 HA ASP 11 -0.769 -11.458 -3.357 334 1HB ASP 11 HB2 ASP 11 -1.869 -13.720 -4.346 335 2HB ASP 11 HB1 ASP 11 -1.720 -12.789 -5.832 336 H ASP 12 HN ASP 12 -3.632 -10.767 -5.222 337 HA ASP 12 HA ASP 12 -2.391 -9.127 -7.190 338 1HB ASP 12 HB2 ASP 12 -5.236 -9.369 -6.206 339 2HB ASP 12 HB1 ASP 12 -4.773 -8.225 -7.462 340 H ILE 13 HN ILE 13 -4.142 -8.430 -4.184 341 HA ILE 13 HA ILE 13 -3.875 -5.640 -4.244 342 HB ILE 13 HB ILE 13 -3.956 -7.372 -1.769 343 1HG1 ILE 13 HG12 ILE 13 -6.234 -6.247 -3.416 344 2HG1 ILE 13 HG11 ILE 13 -5.797 -7.947 -3.285 345 1HG2 ILE 13 HG21 ILE 13 -4.183 -5.503 -0.571 346 2HG2 ILE 13 HG22 ILE 13 -5.336 -4.811 -1.712 347 3HG2 ILE 13 HG23 ILE 13 -3.604 -4.649 -2.001 348 1HD1 ILE 13 HD11 ILE 13 -6.373 -6.520 -0.764 349 2HD1 ILE 13 HD12 ILE 13 -6.749 -8.174 -1.250 350 3HD1 ILE 13 HD13 ILE 13 -7.731 -6.835 -1.844 351 H ASP 14 HN ASP 14 -1.843 -8.122 -2.704 352 HA ASP 14 HA ASP 14 0.024 -6.561 -1.446 353 1HB ASP 14 HB2 ASP 14 -0.233 -9.221 -1.880 354 2HB ASP 14 HB1 ASP 14 1.139 -8.865 -2.926 355 H HIS 15 HN HIS 15 -0.294 -7.222 -4.872 356 HA HIS 15 HA HIS 15 2.252 -6.115 -5.587 357 1HB HIS 15 HB2 HIS 15 0.957 -7.794 -6.959 358 2HB HIS 15 HB1 HIS 15 -0.157 -6.494 -7.370 359 HD1 HIS 15 HD1 HIS 15 3.178 -5.148 -7.221 360 HD2 HIS 15 HD2 HIS 15 0.942 -7.228 -10.039 361 HE1 HIS 15 HE1 HIS 15 4.337 -4.761 -9.418 362 HE2 HIS 15 HE2 HIS 15 2.917 -5.957 -11.121 363 H GLU 16 HN GLU 16 -0.963 -4.913 -5.077 364 HA GLU 16 HA GLU 16 -0.429 -2.374 -6.351 365 1HB GLU 16 HB2 GLU 16 -2.787 -3.022 -4.596 366 2HB GLU 16 HB1 GLU 16 -2.682 -1.819 -5.877 367 1HG GLU 16 HG2 GLU 16 -2.352 -4.720 -6.508 368 2HG GLU 16 HG1 GLU 16 -3.961 -4.034 -6.283 369 H ILE 17 HN ILE 17 -0.593 -3.709 -3.117 370 HA ILE 17 HA ILE 17 -0.556 -1.310 -1.656 371 HB ILE 17 HB ILE 17 0.689 -3.922 -0.796 372 1HG1 ILE 17 HG12 ILE 17 -2.120 -3.171 -0.114 373 2HG1 ILE 17 HG11 ILE 17 -1.800 -3.871 -1.696 374 1HG2 ILE 17 HG21 ILE 17 0.050 -1.383 0.523 375 2HG2 ILE 17 HG22 ILE 17 1.217 -2.630 0.961 376 3HG2 ILE 17 HG23 ILE 17 -0.481 -2.822 1.395 377 1HD1 ILE 17 HD11 ILE 17 -2.074 -5.162 0.829 378 2HD1 ILE 17 HD12 ILE 17 -0.468 -5.483 0.177 379 3HD1 ILE 17 HD13 ILE 17 -1.900 -5.874 -0.775 380 H ALA 18 HN ALA 18 1.963 -3.214 -3.161 381 HA ALA 18 HA ALA 18 4.125 -1.770 -1.921 382 1HB ALA 18 HB1 ALA 18 3.828 -4.143 -3.525 383 2HB ALA 18 HB2 ALA 18 5.155 -3.660 -2.469 384 3HB ALA 18 HB3 ALA 18 5.128 -3.126 -4.149 385 H ASP 19 HN ASP 19 2.460 -1.744 -5.034 386 HA ASP 19 HA ASP 19 4.162 -0.128 -6.501 387 1HB ASP 19 HB2 ASP 19 1.762 -1.264 -6.991 388 2HB ASP 19 HB1 ASP 19 1.268 0.417 -6.816 389 H LEU 20 HN LEU 20 1.628 0.812 -4.216 390 HA LEU 20 HA LEU 20 1.922 3.609 -4.628 391 1HB LEU 20 HB2 LEU 20 0.871 2.333 -2.121 392 2HB LEU 20 HB1 LEU 20 0.457 3.896 -2.798 393 HG LEU 20 HG LEU 20 -0.377 1.183 -3.794 394 1HD1 LEU 20 HD11 LEU 20 -1.848 3.582 -2.735 395 2HD1 LEU 20 HD12 LEU 20 -1.750 1.972 -2.023 396 3HD1 LEU 20 HD13 LEU 20 -2.639 2.219 -3.526 397 1HD2 LEU 20 HD21 LEU 20 0.300 2.691 -5.672 398 2HD2 LEU 20 HD22 LEU 20 -0.940 3.821 -5.131 399 3HD2 LEU 20 HD23 LEU 20 -1.397 2.212 -5.689 400 H GLN 21 HN GLN 21 3.052 1.422 -2.060 401 HA GLN 21 HA GLN 21 4.357 3.229 -0.447 402 1HB GLN 21 HB2 GLN 21 4.078 0.551 -0.418 403 2HB GLN 21 HB1 GLN 21 5.763 0.662 -0.906 404 1HG GLN 21 HG2 GLN 21 5.679 2.420 1.168 405 2HG GLN 21 HG1 GLN 21 4.506 1.206 1.678 406 1HE2 GLN 21 HE21 GLN 21 7.683 2.054 1.757 407 2HE2 GLN 21 HE22 GLN 21 8.385 0.512 2.091 408 H ALA 22 HN ALA 22 5.555 1.668 -3.378 409 HA ALA 22 HA ALA 22 8.197 2.659 -3.223 410 1HB ALA 22 HB1 ALA 22 6.697 1.911 -5.726 411 2HB ALA 22 HB2 ALA 22 7.455 0.747 -4.640 412 3HB ALA 22 HB3 ALA 22 8.445 1.933 -5.489 413 H LYS 23 HN LYS 23 5.227 3.962 -4.562 414 HA LYS 23 HA LYS 23 6.422 6.094 -6.003 415 1HB LYS 23 HB2 LYS 23 3.653 5.464 -5.063 416 2HB LYS 23 HB1 LYS 23 4.006 7.075 -5.674 417 1HG LYS 23 HG2 LYS 23 4.091 6.383 -7.798 418 2HG LYS 23 HG1 LYS 23 4.976 4.913 -7.386 419 1HD LYS 23 HD2 LYS 23 2.957 4.070 -8.139 420 2HD LYS 23 HD1 LYS 23 2.702 4.137 -6.394 421 1HE LYS 23 HE2 LYS 23 1.873 6.330 -8.284 422 2HE LYS 23 HE1 LYS 23 0.808 5.013 -7.797 423 1HZ LYS 23 HZ1 LYS 23 1.813 7.269 -6.223 424 2HZ LYS 23 HZ2 LYS 23 1.521 5.808 -5.422 425 3HZ LYS 23 HZ3 LYS 23 0.268 6.580 -6.255 426 H ARG 24 HN ARG 24 5.279 5.738 -2.703 427 HA ARG 24 HA ARG 24 5.453 8.505 -2.038 428 1HB ARG 24 HB2 ARG 24 4.021 7.001 -0.768 429 2HB ARG 24 HB1 ARG 24 5.415 6.048 -0.277 430 1HG ARG 24 HG2 ARG 24 5.979 7.476 1.356 431 2HG ARG 24 HG1 ARG 24 5.578 8.899 0.393 432 1HD ARG 24 HD2 ARG 24 3.114 7.939 0.784 433 2HD ARG 24 HD1 ARG 24 3.893 7.305 2.233 434 HE ARG 24 HE ARG 24 3.151 9.999 1.749 435 1HH1 ARG 24 HH11 ARG 24 5.622 8.051 3.259 436 2HH1 ARG 24 HH12 ARG 24 6.048 9.265 4.417 437 1HH2 ARG 24 HH21 ARG 24 3.709 11.597 3.271 438 2HH2 ARG 24 HH22 ARG 24 4.961 11.280 4.425 439 H THR 25 HN THR 25 7.626 5.738 -1.683 440 HA THR 25 HA THR 25 9.597 7.023 -0.140 441 HB THR 25 HB THR 25 10.500 4.981 -2.072 442 HG1 THR 25 HG1 THR 25 9.366 3.344 -0.946 443 1HG2 THR 25 HG21 THR 25 12.060 4.975 -0.481 444 2HG2 THR 25 HG22 THR 25 10.913 3.977 0.412 445 3HG2 THR 25 HG23 THR 25 10.990 5.713 0.711 446 H ARG 26 HN ARG 26 9.503 6.415 -3.659 447 HA ARG 26 HA ARG 26 11.857 7.653 -4.369 448 1HB ARG 26 HB2 ARG 26 10.896 7.968 -6.588 449 2HB ARG 26 HB1 ARG 26 10.462 6.391 -5.945 450 1HG ARG 26 HG2 ARG 26 8.245 7.187 -5.397 451 2HG ARG 26 HG1 ARG 26 8.671 8.812 -5.940 452 1HD ARG 26 HD2 ARG 26 9.211 6.766 -7.942 453 2HD ARG 26 HD1 ARG 26 7.513 6.835 -7.475 454 HE ARG 26 HE ARG 26 9.021 8.857 -8.897 455 1HH1 ARG 26 HH11 ARG 26 6.118 8.111 -7.103 456 2HH1 ARG 26 HH12 ARG 26 5.219 9.430 -7.771 457 1HH2 ARG 26 HH21 ARG 26 7.837 10.592 -9.771 458 2HH2 ARG 26 HH22 ARG 26 6.193 10.839 -9.284 459 H LEU 27 HN LEU 27 8.683 9.121 -3.842 460 HA LEU 27 HA LEU 27 9.412 11.742 -4.598 461 1HB LEU 27 HB2 LEU 27 7.178 10.482 -3.132 462 2HB LEU 27 HB1 LEU 27 7.469 12.171 -2.756 463 HG LEU 27 HG LEU 27 5.761 11.799 -4.533 464 1HD1 LEU 27 HD11 LEU 27 7.137 13.327 -6.238 465 2HD1 LEU 27 HD12 LEU 27 8.183 13.466 -4.825 466 3HD1 LEU 27 HD13 LEU 27 6.486 13.933 -4.715 467 1HD2 LEU 27 HD21 LEU 27 6.641 9.894 -5.665 468 2HD2 LEU 27 HD22 LEU 27 8.147 10.734 -6.030 469 3HD2 LEU 27 HD23 LEU 27 6.645 11.238 -6.805 470 H VAL 28 HN VAL 28 9.658 9.946 -1.585 471 HA VAL 28 HA VAL 28 10.343 12.126 0.081 472 HB VAL 28 HB VAL 28 11.212 9.258 0.415 473 1HG1 VAL 28 HG11 VAL 28 12.357 10.897 1.854 474 2HG1 VAL 28 HG12 VAL 28 11.344 9.784 2.775 475 3HG1 VAL 28 HG13 VAL 28 10.791 11.430 2.464 476 1HG2 VAL 28 HG21 VAL 28 8.966 9.947 2.040 477 2HG2 VAL 28 HG22 VAL 28 9.105 8.679 0.823 478 3HG2 VAL 28 HG23 VAL 28 8.586 10.299 0.355 479 H GLN 29 HN GLN 29 12.290 9.803 -1.751 480 HA GLN 29 HA GLN 29 14.827 10.553 -0.958 481 1HB GLN 29 HB2 GLN 29 13.675 9.361 -3.421 482 2HB GLN 29 HB1 GLN 29 15.295 10.028 -3.555 483 1HG GLN 29 HG2 GLN 29 16.215 8.381 -2.348 484 2HG GLN 29 HG1 GLN 29 14.861 8.310 -1.220 485 1HE2 GLN 29 HE21 GLN 29 14.280 6.246 -1.188 486 2HE2 GLN 29 HE22 GLN 29 13.899 5.289 -2.576 487 H GLN 30 HN GLN 30 12.605 12.116 -3.150 488 HA GLN 30 HA GLN 30 14.459 14.013 -4.196 489 1HB GLN 30 HB2 GLN 30 11.495 13.672 -4.232 490 2HB GLN 30 HB1 GLN 30 12.154 15.248 -4.644 491 1HG GLN 30 HG2 GLN 30 13.421 12.969 -5.996 492 2HG GLN 30 HG1 GLN 30 11.732 13.257 -6.414 493 1HE2 GLN 30 HE21 GLN 30 14.967 14.329 -6.727 494 2HE2 GLN 30 HE22 GLN 30 14.660 15.676 -7.765 495 H HIS 31 HN HIS 31 12.355 13.864 -1.399 496 HA HIS 31 HA HIS 31 13.626 16.293 -0.388 497 1HB HIS 31 HB2 HIS 31 11.544 17.294 0.322 498 2HB HIS 31 HB1 HIS 31 11.476 16.995 -1.409 499 HD1 HIS 31 HD1 HIS 31 10.104 14.747 -2.085 500 HD2 HIS 31 HD2 HIS 31 9.450 16.270 1.720 501 HE1 HIS 31 HE1 HIS 31 7.930 13.749 -1.325 502 HE2 HIS 31 HE2 HIS 31 7.669 14.523 1.056 503 HA PRO 32 HA PRO 32 13.168 12.988 2.827 504 1HB PRO 32 HB2 PRO 32 15.959 12.603 3.027 505 2HB PRO 32 HB1 PRO 32 14.793 11.527 2.261 506 1HG PRO 32 HG2 PRO 32 16.816 12.984 0.972 507 2HG PRO 32 HG1 PRO 32 15.465 12.144 0.195 508 1HD PRO 32 HD2 PRO 32 15.806 15.034 0.800 509 2HD PRO 32 HD1 PRO 32 14.914 14.249 -0.520 510 H ARG 33 HN ARG 33 15.015 12.839 4.823 511 HA ARG 33 HA ARG 33 15.680 13.851 6.748 512 1HB ARG 33 HB2 ARG 33 16.305 15.969 4.712 513 2HB ARG 33 HB1 ARG 33 16.569 16.267 6.424 514 1HG ARG 33 HG2 ARG 33 18.622 15.542 5.418 515 2HG ARG 33 HG1 ARG 33 18.038 14.284 6.509 516 1HD ARG 33 HD2 ARG 33 17.105 14.042 3.735 517 2HD ARG 33 HD1 ARG 33 18.848 13.867 3.945 518 HE ARG 33 HE ARG 33 16.827 12.007 4.729 519 1HH1 ARG 33 HH11 ARG 33 20.006 13.202 5.530 520 2HH1 ARG 33 HH12 ARG 33 20.496 11.739 6.316 521 1HH2 ARG 33 HH21 ARG 33 17.468 10.080 5.763 522 2HH2 ARG 33 HH22 ARG 33 19.055 9.967 6.449 Start of MODEL 16 1 H CYS 1 HT1 CYS 1 12.426 22.367 3.341 2 HA CYS 1 HA CYS 1 12.013 19.720 4.523 3 1HB CYS 1 HB2 CYS 1 12.298 21.994 5.775 4 2HB CYS 1 HB1 CYS 1 10.663 22.315 5.209 5 HG CYS 1 HG CYS 1 10.524 19.719 6.570 6 H GLY 2 HN GLY 2 9.654 19.218 4.821 7 1HA GLY 2 HA2 GLY 2 8.373 19.235 2.252 8 2HA GLY 2 HA1 GLY 2 7.753 18.500 3.723 9 H GLY 3 HN GLY 3 5.693 19.258 3.754 10 1HA GLY 3 HA2 GLY 3 3.951 20.744 3.930 11 2HA GLY 3 HA1 GLY 3 5.111 21.777 4.756 12 H ASP 4 HN ASP 4 5.487 20.732 1.441 13 HA ASP 4 HA ASP 4 4.992 23.498 0.581 14 1HB ASP 4 HB2 ASP 4 7.354 22.977 0.436 15 2HB ASP 4 HB1 ASP 4 7.010 21.498 -0.457 16 H ASN 5 HN ASN 5 5.607 20.647 -1.374 17 HA ASN 5 HA ASN 5 2.836 20.508 -2.249 18 1HB ASN 5 HB2 ASN 5 4.387 22.120 -3.706 19 2HB ASN 5 HB1 ASN 5 4.879 20.588 -4.423 20 1HD2 ASN 5 HD21 ASN 5 1.785 21.876 -3.255 21 2HD2 ASN 5 HD22 ASN 5 0.917 21.582 -4.719 22 H ILE 6 HN ILE 6 6.145 19.326 -2.580 23 HA ILE 6 HA ILE 6 5.482 16.767 -3.602 24 HB ILE 6 HB ILE 6 7.910 17.169 -1.901 25 1HG1 ILE 6 HG12 ILE 6 7.423 18.419 -4.608 26 2HG1 ILE 6 HG11 ILE 6 7.970 19.208 -3.131 27 1HG2 ILE 6 HG21 ILE 6 7.423 15.004 -2.930 28 2HG2 ILE 6 HG22 ILE 6 8.930 15.705 -3.523 29 3HG2 ILE 6 HG23 ILE 6 7.478 15.758 -4.523 30 1HD1 ILE 6 HD11 ILE 6 10.071 17.868 -3.300 31 2HD1 ILE 6 HD12 ILE 6 9.826 19.042 -4.592 32 3HD1 ILE 6 HD13 ILE 6 9.523 17.330 -4.888 33 H GLU 7 HN GLU 7 6.386 17.900 -0.380 34 HA GLU 7 HA GLU 7 6.120 15.538 1.036 35 1HB GLU 7 HB2 GLU 7 7.038 17.661 1.947 36 2HB GLU 7 HB1 GLU 7 5.404 18.310 2.026 37 1HG GLU 7 HG2 GLU 7 6.116 17.529 4.205 38 2HG GLU 7 HG1 GLU 7 4.785 16.542 3.605 39 H GLN 8 HN GLN 8 3.640 17.778 -0.031 40 HA GLN 8 HA GLN 8 1.539 16.533 1.481 41 1HB GLN 8 HB2 GLN 8 1.461 18.915 0.810 42 2HB GLN 8 HB1 GLN 8 1.360 18.422 -0.874 43 1HG GLN 8 HG2 GLN 8 -0.781 17.445 -0.545 44 2HG GLN 8 HG1 GLN 8 -0.659 17.626 1.204 45 1HE2 GLN 8 HE21 GLN 8 -0.965 19.646 2.130 46 2HE2 GLN 8 HE22 GLN 8 -1.683 20.958 1.266 47 H LYS 9 HN LYS 9 2.823 16.306 -1.774 48 HA LYS 9 HA LYS 9 0.786 14.839 -2.984 49 1HB LYS 9 HB2 LYS 9 2.822 15.876 -4.086 50 2HB LYS 9 HB1 LYS 9 3.726 14.470 -3.540 51 1HG LYS 9 HG2 LYS 9 2.734 13.074 -5.039 52 2HG LYS 9 HG1 LYS 9 1.231 13.997 -5.073 53 1HD LYS 9 HD2 LYS 9 2.061 14.541 -7.132 54 2HD LYS 9 HD1 LYS 9 2.798 15.824 -6.169 55 1HE LYS 9 HE2 LYS 9 4.882 14.984 -6.404 56 2HE LYS 9 HE1 LYS 9 4.327 13.311 -6.339 57 1HZ LYS 9 HZ1 LYS 9 5.262 14.264 -8.536 58 2HZ LYS 9 HZ2 LYS 9 3.728 14.955 -8.704 59 3HZ LYS 9 HZ3 LYS 9 3.889 13.276 -8.582 60 H ILE 10 HN ILE 10 3.532 13.769 -1.035 61 HA ILE 10 HA ILE 10 3.053 10.995 -1.423 62 HB ILE 10 HB ILE 10 4.448 10.709 0.661 63 1HG1 ILE 10 HG12 ILE 10 4.918 13.677 0.330 64 2HG1 ILE 10 HG11 ILE 10 3.927 12.968 1.602 65 1HG2 ILE 10 HG21 ILE 10 6.440 10.981 -0.522 66 2HG2 ILE 10 HG22 ILE 10 5.836 12.390 -1.392 67 3HG2 ILE 10 HG23 ILE 10 5.220 10.784 -1.779 68 1HD1 ILE 10 HD11 ILE 10 5.883 11.748 2.424 69 2HD1 ILE 10 HD12 ILE 10 6.129 13.493 2.433 70 3HD1 ILE 10 HD13 ILE 10 6.867 12.506 1.172 71 H ASP 11 HN ASP 11 2.126 13.290 1.131 72 HA ASP 11 HA ASP 11 1.032 11.599 2.993 73 1HB ASP 11 HB2 ASP 11 0.262 14.344 2.060 74 2HB ASP 11 HB1 ASP 11 -0.752 13.514 3.237 75 H ASP 12 HN ASP 12 -0.246 12.557 -0.111 76 HA ASP 12 HA ASP 12 -2.843 11.443 0.215 77 1HB ASP 12 HB2 ASP 12 -1.220 12.482 -2.050 78 2HB ASP 12 HB1 ASP 12 -2.528 11.374 -2.456 79 H ILE 13 HN ILE 13 0.121 10.292 -1.364 80 HA ILE 13 HA ILE 13 -0.830 7.780 -2.151 81 HB ILE 13 HB ILE 13 2.001 8.427 -1.316 82 1HG1 ILE 13 HG12 ILE 13 0.648 8.757 -4.004 83 2HG1 ILE 13 HG11 ILE 13 1.212 10.058 -2.961 84 1HG2 ILE 13 HG21 ILE 13 2.605 6.427 -2.104 85 2HG2 ILE 13 HG22 ILE 13 1.582 6.583 -3.531 86 3HG2 ILE 13 HG23 ILE 13 0.895 6.009 -2.013 87 1HD1 ILE 13 HD11 ILE 13 3.255 9.937 -3.800 88 2HD1 ILE 13 HD12 ILE 13 2.611 8.832 -5.014 89 3HD1 ILE 13 HD13 ILE 13 3.333 8.196 -3.536 90 H ASP 14 HN ASP 14 0.859 8.774 0.818 91 HA ASP 14 HA ASP 14 1.130 6.365 2.098 92 1HB ASP 14 HB2 ASP 14 1.559 8.949 2.806 93 2HB ASP 14 HB1 ASP 14 0.175 8.565 3.823 94 H HIS 15 HN HIS 15 -1.771 8.277 1.661 95 HA HIS 15 HA HIS 15 -3.361 6.770 3.506 96 1HB HIS 15 HB2 HIS 15 -3.788 9.163 2.706 97 2HB HIS 15 HB1 HIS 15 -4.397 8.440 1.220 98 HD1 HIS 15 HD1 HIS 15 -5.204 6.503 4.224 99 HD2 HIS 15 HD2 HIS 15 -6.918 9.602 2.050 100 HE1 HIS 15 HE1 HIS 15 -7.598 6.611 4.983 101 HE2 HIS 15 HE2 HIS 15 -8.638 8.436 3.592 102 H GLU 16 HN GLU 16 -2.485 6.525 0.159 103 HA GLU 16 HA GLU 16 -4.538 4.579 -0.437 104 1HB GLU 16 HB2 GLU 16 -2.183 5.260 -2.182 105 2HB GLU 16 HB1 GLU 16 -3.753 4.634 -2.669 106 1HG GLU 16 HG2 GLU 16 -4.804 6.699 -2.331 107 2HG GLU 16 HG1 GLU 16 -3.452 7.328 -1.390 108 H ILE 17 HN ILE 17 -1.121 4.653 0.307 109 HA ILE 17 HA ILE 17 -0.478 2.004 -0.406 110 HB ILE 17 HB ILE 17 0.810 3.611 1.803 111 1HG1 ILE 17 HG12 ILE 17 1.863 3.576 -0.991 112 2HG1 ILE 17 HG11 ILE 17 0.530 4.658 -0.613 113 1HG2 ILE 17 HG21 ILE 17 1.935 1.680 2.005 114 2HG2 ILE 17 HG22 ILE 17 2.780 2.217 0.553 115 3HG2 ILE 17 HG23 ILE 17 1.422 1.098 0.421 116 1HD1 ILE 17 HD11 ILE 17 2.433 4.999 1.420 117 2HD1 ILE 17 HD12 ILE 17 1.999 6.125 0.135 118 3HD1 ILE 17 HD13 ILE 17 3.316 4.977 -0.105 119 H ALA 18 HN ALA 18 -1.909 3.440 2.439 120 HA ALA 18 HA ALA 18 -1.687 1.055 4.044 121 1HB ALA 18 HB1 ALA 18 -2.640 3.813 4.430 122 2HB ALA 18 HB2 ALA 18 -1.722 2.765 5.511 123 3HB ALA 18 HB3 ALA 18 -3.471 2.583 5.382 124 H ASP 19 HN ASP 19 -4.165 2.667 2.126 125 HA ASP 19 HA ASP 19 -6.419 1.275 2.934 126 1HB ASP 19 HB2 ASP 19 -6.332 3.216 1.325 127 2HB ASP 19 HB1 ASP 19 -5.829 2.076 0.080 128 H LEU 20 HN LEU 20 -3.994 0.371 0.517 129 HA LEU 20 HA LEU 20 -5.290 -2.040 -0.254 130 1HB LEU 20 HB2 LEU 20 -2.346 -1.527 -0.512 131 2HB LEU 20 HB1 LEU 20 -3.374 -2.505 -1.540 132 HG LEU 20 HG LEU 20 -3.169 0.489 -1.425 133 1HD1 LEU 20 HD11 LEU 20 -2.701 -1.633 -3.486 134 2HD1 LEU 20 HD12 LEU 20 -1.607 -0.372 -2.919 135 3HD1 LEU 20 HD13 LEU 20 -2.979 0.048 -3.944 136 1HD2 LEU 20 HD21 LEU 20 -5.272 -1.079 -2.909 137 2HD2 LEU 20 HD22 LEU 20 -5.066 0.673 -2.886 138 3HD2 LEU 20 HD23 LEU 20 -5.562 -0.176 -1.422 139 H GLN 21 HN GLN 21 -2.486 -1.372 1.833 140 HA GLN 21 HA GLN 21 -1.865 -3.957 2.579 141 1HB GLN 21 HB2 GLN 21 -0.777 -1.636 3.181 142 2HB GLN 21 HB1 GLN 21 -1.759 -1.786 4.632 143 1HG GLN 21 HG2 GLN 21 -0.688 -3.892 5.170 144 2HG GLN 21 HG1 GLN 21 0.256 -3.811 3.683 145 1HE2 GLN 21 HE21 GLN 21 1.525 -4.102 6.063 146 2HE2 GLN 21 HE22 GLN 21 2.370 -2.651 6.470 147 H ALA 22 HN ALA 22 -4.462 -1.903 3.705 148 HA ALA 22 HA ALA 22 -5.164 -3.533 5.947 149 1HB ALA 22 HB1 ALA 22 -6.572 -1.306 4.499 150 2HB ALA 22 HB2 ALA 22 -5.808 -1.272 6.089 151 3HB ALA 22 HB3 ALA 22 -7.306 -2.171 5.850 152 H LYS 23 HN LYS 23 -6.083 -3.392 2.572 153 HA LYS 23 HA LYS 23 -8.363 -5.084 2.791 154 1HB LYS 23 HB2 LYS 23 -6.703 -4.019 0.551 155 2HB LYS 23 HB1 LYS 23 -7.785 -5.366 0.226 156 1HG LYS 23 HG2 LYS 23 -9.613 -4.080 0.312 157 2HG LYS 23 HG1 LYS 23 -9.026 -3.167 1.704 158 1HD LYS 23 HD2 LYS 23 -9.110 -1.580 -0.004 159 2HD LYS 23 HD1 LYS 23 -7.412 -2.061 0.033 160 1HE LYS 23 HE2 LYS 23 -7.699 -3.477 -1.869 161 2HE LYS 23 HE1 LYS 23 -9.450 -3.272 -1.826 162 1HZ LYS 23 HZ1 LYS 23 -9.329 -1.277 -2.834 163 2HZ LYS 23 HZ2 LYS 23 -7.851 -1.866 -3.410 164 3HZ LYS 23 HZ3 LYS 23 -7.886 -0.835 -2.069 165 H ARG 24 HN ARG 24 -4.939 -5.623 2.303 166 HA ARG 24 HA ARG 24 -5.169 -8.348 1.493 167 1HB ARG 24 HB2 ARG 24 -3.187 -7.041 0.950 168 2HB ARG 24 HB1 ARG 24 -2.832 -6.826 2.658 169 1HG ARG 24 HG2 ARG 24 -1.883 -8.847 2.845 170 2HG ARG 24 HG1 ARG 24 -3.085 -9.621 1.811 171 1HD ARG 24 HD2 ARG 24 -1.830 -8.193 -0.046 172 2HD ARG 24 HD1 ARG 24 -0.502 -8.337 1.106 173 HE ARG 24 HE ARG 24 -1.488 -10.369 -0.608 174 1HH1 ARG 24 HH11 ARG 24 -0.181 -9.859 2.588 175 2HH1 ARG 24 HH12 ARG 24 0.462 -11.460 2.717 176 1HH2 ARG 24 HH21 ARG 24 -0.643 -12.478 -0.439 177 2HH2 ARG 24 HH22 ARG 24 0.201 -12.948 0.998 178 H THR 25 HN THR 25 -4.623 -6.729 4.587 179 HA THR 25 HA THR 25 -4.141 -9.072 6.097 180 HB THR 25 HB THR 25 -5.418 -6.810 7.488 181 HG1 THR 25 HG1 THR 25 -2.948 -6.474 6.138 182 1HG2 THR 25 HG21 THR 25 -3.666 -8.831 8.179 183 2HG2 THR 25 HG22 THR 25 -4.117 -7.439 9.162 184 3HG2 THR 25 HG23 THR 25 -2.669 -7.377 8.156 185 H ARG 26 HN ARG 26 -7.068 -7.024 5.933 186 HA ARG 26 HA ARG 26 -8.744 -8.538 7.489 187 1HB ARG 26 HB2 ARG 26 -10.612 -7.552 6.274 188 2HB ARG 26 HB1 ARG 26 -9.361 -6.351 6.558 189 1HG ARG 26 HG2 ARG 26 -9.623 -5.860 4.400 190 2HG ARG 26 HG1 ARG 26 -8.656 -7.304 4.109 191 1HD ARG 26 HD2 ARG 26 -10.632 -7.390 2.737 192 2HD ARG 26 HD1 ARG 26 -10.744 -8.627 3.990 193 HE ARG 26 HE ARG 26 -12.013 -6.140 4.684 194 1HH1 ARG 26 HH11 ARG 26 -12.424 -9.228 3.110 195 2HH1 ARG 26 HH12 ARG 26 -14.144 -9.237 3.302 196 1HH2 ARG 26 HH21 ARG 26 -14.276 -6.150 4.935 197 2HH2 ARG 26 HH22 ARG 26 -15.196 -7.490 4.336 198 H LEU 27 HN LEU 27 -7.851 -9.050 4.125 199 HA LEU 27 HA LEU 27 -9.683 -11.156 3.623 200 1HB LEU 27 HB2 LEU 27 -7.457 -9.886 2.254 201 2HB LEU 27 HB1 LEU 27 -7.451 -11.623 2.017 202 HG LEU 27 HG LEU 27 -9.742 -11.524 1.149 203 1HD1 LEU 27 HD11 LEU 27 -10.662 -9.254 0.592 204 2HD1 LEU 27 HD12 LEU 27 -9.439 -8.577 1.666 205 3HD1 LEU 27 HD13 LEU 27 -10.664 -9.671 2.306 206 1HD2 LEU 27 HD21 LEU 27 -7.784 -9.653 -0.175 207 2HD2 LEU 27 HD22 LEU 27 -9.231 -10.305 -0.944 208 3HD2 LEU 27 HD23 LEU 27 -7.937 -11.390 -0.438 209 H VAL 28 HN VAL 28 -6.371 -11.012 4.836 210 HA VAL 28 HA VAL 28 -5.836 -13.770 4.872 211 HB VAL 28 HB VAL 28 -4.813 -11.718 6.830 212 1HG1 VAL 28 HG11 VAL 28 -3.329 -13.239 7.564 213 2HG1 VAL 28 HG12 VAL 28 -3.089 -13.929 5.959 214 3HG1 VAL 28 HG13 VAL 28 -4.485 -14.408 6.925 215 1HG2 VAL 28 HG21 VAL 28 -4.462 -11.814 4.027 216 2HG2 VAL 28 HG22 VAL 28 -2.940 -12.315 4.763 217 3HG2 VAL 28 HG23 VAL 28 -3.658 -10.763 5.190 218 H GLN 29 HN GLN 29 -7.237 -11.616 7.306 219 HA GLN 29 HA GLN 29 -7.509 -13.386 9.416 220 1HB GLN 29 HB2 GLN 29 -9.004 -10.970 8.516 221 2HB GLN 29 HB1 GLN 29 -9.751 -11.973 9.752 222 1HG GLN 29 HG2 GLN 29 -8.314 -11.313 11.336 223 2HG GLN 29 HG1 GLN 29 -6.934 -11.335 10.239 224 1HE2 GLN 29 HE21 GLN 29 -6.036 -9.399 10.527 225 2HE2 GLN 29 HE22 GLN 29 -6.846 -7.886 10.340 226 H GLN 30 HN GLN 30 -9.375 -13.045 6.483 227 HA GLN 30 HA GLN 30 -11.532 -14.733 7.215 228 1HB GLN 30 HB2 GLN 30 -11.019 -13.086 5.104 229 2HB GLN 30 HB1 GLN 30 -10.774 -14.663 4.365 230 1HG GLN 30 HG2 GLN 30 -13.234 -14.103 5.968 231 2HG GLN 30 HG1 GLN 30 -13.111 -13.579 4.288 232 1HE2 GLN 30 HE21 GLN 30 -13.790 -14.958 2.818 233 2HE2 GLN 30 HE22 GLN 30 -13.947 -16.667 3.018 234 H HIS 31 HN HIS 31 -8.333 -15.282 5.887 235 HA HIS 31 HA HIS 31 -8.772 -18.162 6.231 236 1HB HIS 31 HB2 HIS 31 -7.555 -18.677 4.175 237 2HB HIS 31 HB1 HIS 31 -8.989 -17.716 3.831 238 HD1 HIS 31 HD1 HIS 31 -8.320 -14.974 3.788 239 HD2 HIS 31 HD2 HIS 31 -5.417 -17.770 2.802 240 HE1 HIS 31 HE1 HIS 31 -6.624 -13.729 2.423 241 HE2 HIS 31 HE2 HIS 31 -4.767 -15.389 2.051 242 HA PRO 32 HA PRO 32 -4.914 -16.686 8.358 243 1HB PRO 32 HB2 PRO 32 -5.323 -18.130 10.624 244 2HB PRO 32 HB1 PRO 32 -5.994 -16.513 10.376 245 1HG PRO 32 HG2 PRO 32 -7.311 -19.182 10.050 246 2HG PRO 32 HG1 PRO 32 -7.947 -17.703 10.796 247 1HD PRO 32 HD2 PRO 32 -8.608 -18.459 8.285 248 2HD PRO 32 HD1 PRO 32 -8.475 -16.753 8.761 249 H ARG 33 HN ARG 33 -6.346 -19.847 7.860 250 HA ARG 33 HA ARG 33 -3.726 -20.935 7.244 251 1HB ARG 33 HB2 ARG 33 -4.247 -22.982 8.672 252 2HB ARG 33 HB1 ARG 33 -3.742 -21.530 9.524 253 1HG ARG 33 HG2 ARG 33 -6.632 -21.735 9.186 254 2HG ARG 33 HG1 ARG 33 -5.929 -23.055 10.123 255 1HD ARG 33 HD2 ARG 33 -5.411 -20.134 10.662 256 2HD ARG 33 HD1 ARG 33 -6.655 -21.081 11.477 257 HE ARG 33 HE ARG 33 -4.270 -22.457 11.783 258 1HH1 ARG 33 HH11 ARG 33 -5.596 -19.365 12.709 259 2HH1 ARG 33 HH12 ARG 33 -4.642 -19.247 14.149 260 1HH2 ARG 33 HH21 ARG 33 -3.015 -22.305 13.677 261 2HH2 ARG 33 HH22 ARG 33 -3.177 -20.915 14.699 262 H CYS 1 HN CYS 1 -15.430 -18.079 -5.943 263 HA CYS 1 HA CYS 1 -13.533 -17.906 -4.700 264 1HB CYS 1 HB2 CYS 1 -15.425 -16.115 -3.258 265 2HB CYS 1 HB1 CYS 1 -13.939 -16.565 -2.428 266 HG CYS 1 HG CYS 1 -12.611 -15.457 -4.412 267 H GLY 2 HN GLY 2 -12.989 -19.902 -4.044 268 1HA GLY 2 HA2 GLY 2 -13.941 -20.744 -1.397 269 2HA GLY 2 HA1 GLY 2 -14.098 -21.864 -2.742 270 H GLY 3 HN GLY 3 -12.575 -22.187 -0.285 271 1HA GLY 3 HA2 GLY 3 -10.572 -23.143 0.311 272 2HA GLY 3 HA1 GLY 3 -10.196 -23.252 -1.402 273 H ASP 4 HN ASP 4 -8.432 -22.193 -1.984 274 HA ASP 4 HA ASP 4 -7.385 -20.091 -0.259 275 1HB ASP 4 HB2 ASP 4 -6.177 -21.475 -2.655 276 2HB ASP 4 HB1 ASP 4 -5.351 -20.292 -1.645 277 H ASN 5 HN ASN 5 -9.651 -19.932 -2.413 278 HA ASN 5 HA ASN 5 -8.895 -18.278 -4.500 279 1HB ASN 5 HB2 ASN 5 -11.366 -19.049 -3.224 280 2HB ASN 5 HB1 ASN 5 -11.414 -17.339 -3.639 281 1HD2 ASN 5 HD21 ASN 5 -9.900 -17.304 -5.927 282 2HD2 ASN 5 HD22 ASN 5 -10.712 -18.193 -7.167 283 H ILE 6 HN ILE 6 -9.268 -17.609 -1.131 284 HA ILE 6 HA ILE 6 -9.268 -14.744 -1.385 285 HB ILE 6 HB ILE 6 -8.652 -16.367 1.080 286 1HG1 ILE 6 HG12 ILE 6 -11.382 -15.357 0.280 287 2HG1 ILE 6 HG11 ILE 6 -10.834 -16.989 -0.092 288 1HG2 ILE 6 HG21 ILE 6 -9.315 -14.443 2.303 289 2HG2 ILE 6 HG22 ILE 6 -9.899 -13.641 0.844 290 3HG2 ILE 6 HG23 ILE 6 -8.172 -13.915 1.067 291 1HD1 ILE 6 HD11 ILE 6 -11.465 -15.761 2.550 292 2HD1 ILE 6 HD12 ILE 6 -10.360 -17.132 2.450 293 3HD1 ILE 6 HD13 ILE 6 -12.015 -17.288 1.859 294 H GLU 7 HN GLU 7 -6.968 -17.261 -0.477 295 HA GLU 7 HA GLU 7 -4.784 -15.651 0.173 296 1HB GLU 7 HB2 GLU 7 -5.262 -18.336 0.137 297 2HB GLU 7 HB1 GLU 7 -4.145 -18.173 -1.211 298 1HG GLU 7 HG2 GLU 7 -2.494 -17.158 0.214 299 2HG GLU 7 HG1 GLU 7 -3.624 -17.144 1.568 300 H GLN 8 HN GLN 8 -6.074 -16.618 -2.915 301 HA GLN 8 HA GLN 8 -3.756 -15.757 -4.401 302 1HB GLN 8 HB2 GLN 8 -5.501 -17.571 -5.056 303 2HB GLN 8 HB1 GLN 8 -6.476 -16.211 -5.593 304 1HG GLN 8 HG2 GLN 8 -4.054 -15.687 -6.751 305 2HG GLN 8 HG1 GLN 8 -4.139 -17.447 -6.819 306 1HE2 GLN 8 HE21 GLN 8 -6.477 -14.800 -7.191 307 2HE2 GLN 8 HE22 GLN 8 -7.108 -15.342 -8.705 308 H LYS 9 HN LYS 9 -6.964 -14.538 -3.631 309 HA LYS 9 HA LYS 9 -6.945 -12.261 -5.260 310 1HB LYS 9 HB2 LYS 9 -8.688 -13.405 -3.414 311 2HB LYS 9 HB1 LYS 9 -8.305 -11.833 -2.724 312 1HG LYS 9 HG2 LYS 9 -9.338 -10.689 -4.397 313 2HG LYS 9 HG1 LYS 9 -9.019 -11.940 -5.601 314 1HD LYS 9 HD2 LYS 9 -11.248 -12.297 -5.331 315 2HD LYS 9 HD1 LYS 9 -10.663 -13.313 -4.012 316 1HE LYS 9 HE2 LYS 9 -11.125 -10.459 -3.391 317 2HE LYS 9 HE1 LYS 9 -12.556 -11.443 -3.699 318 1HZ LYS 9 HZ1 LYS 9 -11.789 -12.992 -1.992 319 2HZ LYS 9 HZ2 LYS 9 -12.014 -11.440 -1.360 320 3HZ LYS 9 HZ3 LYS 9 -10.452 -12.005 -1.679 321 H ILE 10 HN ILE 10 -5.596 -12.865 -2.070 322 HA ILE 10 HA ILE 10 -4.991 -10.134 -1.521 323 HB ILE 10 HB ILE 10 -3.400 -11.081 0.185 324 1HG1 ILE 10 HG12 ILE 10 -4.706 -13.710 -0.533 325 2HG1 ILE 10 HG11 ILE 10 -3.067 -13.264 -1.000 326 1HG2 ILE 10 HG21 ILE 10 -5.087 -11.190 1.687 327 2HG2 ILE 10 HG22 ILE 10 -6.021 -12.331 0.720 328 3HG2 ILE 10 HG23 ILE 10 -6.025 -10.617 0.309 329 1HD1 ILE 10 HD11 ILE 10 -3.085 -14.698 0.961 330 2HD1 ILE 10 HD12 ILE 10 -4.079 -13.521 1.819 331 3HD1 ILE 10 HD13 ILE 10 -2.433 -13.104 1.340 332 H ASP 11 HN ASP 11 -3.105 -12.858 -2.816 333 HA ASP 11 HA ASP 11 -0.597 -11.730 -2.917 334 1HB ASP 11 HB2 ASP 11 -2.044 -13.725 -4.583 335 2HB ASP 11 HB1 ASP 11 -0.570 -13.041 -5.265 336 H ASP 12 HN ASP 12 -3.379 -11.142 -4.936 337 HA ASP 12 HA ASP 12 -2.066 -9.574 -6.914 338 1HB ASP 12 HB2 ASP 12 -4.871 -10.141 -6.131 339 2HB ASP 12 HB1 ASP 12 -4.599 -8.624 -6.985 340 H ILE 13 HN ILE 13 -3.858 -8.806 -3.962 341 HA ILE 13 HA ILE 13 -3.635 -6.009 -4.118 342 HB ILE 13 HB ILE 13 -3.745 -7.657 -1.588 343 1HG1 ILE 13 HG12 ILE 13 -5.999 -6.639 -3.334 344 2HG1 ILE 13 HG11 ILE 13 -5.548 -8.324 -3.103 345 1HG2 ILE 13 HG21 ILE 13 -5.170 -5.128 -1.632 346 2HG2 ILE 13 HG22 ILE 13 -3.443 -4.932 -1.927 347 3HG2 ILE 13 HG23 ILE 13 -4.000 -5.748 -0.468 348 1HD1 ILE 13 HD11 ILE 13 -6.414 -6.568 -0.831 349 2HD1 ILE 13 HD12 ILE 13 -6.313 -8.329 -0.883 350 3HD1 ILE 13 HD13 ILE 13 -7.552 -7.489 -1.815 351 H ASP 14 HN ASP 14 -1.609 -8.434 -2.486 352 HA ASP 14 HA ASP 14 0.223 -6.835 -1.224 353 1HB ASP 14 HB2 ASP 14 0.006 -9.506 -1.642 354 2HB ASP 14 HB1 ASP 14 1.397 -9.139 -2.656 355 H HIS 15 HN HIS 15 -0.039 -7.539 -4.644 356 HA HIS 15 HA HIS 15 2.505 -6.397 -5.326 357 1HB HIS 15 HB2 HIS 15 1.214 -8.140 -6.673 358 2HB HIS 15 HB1 HIS 15 0.173 -6.819 -7.194 359 HD1 HIS 15 HD1 HIS 15 3.593 -5.671 -6.884 360 HD2 HIS 15 HD2 HIS 15 1.338 -7.607 -9.788 361 HE1 HIS 15 HE1 HIS 15 4.873 -5.386 -9.030 362 HE2 HIS 15 HE2 HIS 15 3.446 -6.491 -10.788 363 H GLU 16 HN GLU 16 -0.759 -5.261 -4.943 364 HA GLU 16 HA GLU 16 -0.242 -2.739 -6.253 365 1HB GLU 16 HB2 GLU 16 -2.635 -3.381 -4.544 366 2HB GLU 16 HB1 GLU 16 -2.516 -2.223 -5.864 367 1HG GLU 16 HG2 GLU 16 -2.100 -5.126 -6.407 368 2HG GLU 16 HG1 GLU 16 -3.734 -4.495 -6.207 369 H ILE 17 HN ILE 17 -0.376 -4.020 -3.010 370 HA ILE 17 HA ILE 17 -0.458 -1.582 -1.594 371 HB ILE 17 HB ILE 17 0.831 -4.151 -0.664 372 1HG1 ILE 17 HG12 ILE 17 -2.000 -3.434 -0.038 373 2HG1 ILE 17 HG11 ILE 17 -1.642 -4.169 -1.594 374 1HG2 ILE 17 HG21 ILE 17 -0.636 -2.560 1.275 375 2HG2 ILE 17 HG22 ILE 17 0.702 -1.673 0.544 376 3HG2 ILE 17 HG23 ILE 17 1.001 -3.212 1.351 377 1HD1 ILE 17 HD11 ILE 17 -1.730 -6.147 -0.615 378 2HD1 ILE 17 HD12 ILE 17 -1.926 -5.393 0.967 379 3HD1 ILE 17 HD13 ILE 17 -0.311 -5.710 0.335 380 H ALA 18 HN ALA 18 2.141 -3.496 -2.958 381 HA ALA 18 HA ALA 18 4.248 -1.978 -1.733 382 1HB ALA 18 HB1 ALA 18 5.126 -4.003 -2.169 383 2HB ALA 18 HB2 ALA 18 5.479 -3.298 -3.747 384 3HB ALA 18 HB3 ALA 18 4.042 -4.298 -3.529 385 H ASP 19 HN ASP 19 2.594 -1.992 -4.844 386 HA ASP 19 HA ASP 19 4.314 -0.397 -6.327 387 1HB ASP 19 HB2 ASP 19 1.507 -1.184 -6.466 388 2HB ASP 19 HB1 ASP 19 1.789 0.419 -7.135 389 H LEU 20 HN LEU 20 1.646 0.592 -4.200 390 HA LEU 20 HA LEU 20 1.942 3.365 -4.599 391 1HB LEU 20 HB2 LEU 20 0.951 2.152 -2.040 392 2HB LEU 20 HB1 LEU 20 0.468 3.661 -2.791 393 HG LEU 20 HG LEU 20 -0.271 0.866 -3.626 394 1HD1 LEU 20 HD11 LEU 20 -1.697 1.647 -1.930 395 2HD1 LEU 20 HD12 LEU 20 -2.572 1.914 -3.438 396 3HD1 LEU 20 HD13 LEU 20 -1.777 3.265 -2.627 397 1HD2 LEU 20 HD21 LEU 20 -1.349 1.755 -5.567 398 2HD2 LEU 20 HD22 LEU 20 0.338 2.268 -5.599 399 3HD2 LEU 20 HD23 LEU 20 -0.920 3.405 -5.114 400 H GLN 21 HN GLN 21 3.114 1.258 -1.979 401 HA GLN 21 HA GLN 21 4.408 3.110 -0.416 402 1HB GLN 21 HB2 GLN 21 4.156 0.667 0.070 403 2HB GLN 21 HB1 GLN 21 5.474 0.355 -1.050 404 1HG GLN 21 HG2 GLN 21 6.863 1.913 0.400 405 2HG GLN 21 HG1 GLN 21 5.565 1.781 1.586 406 1HE2 GLN 21 HE21 GLN 21 6.495 0.614 3.150 407 2HE2 GLN 21 HE22 GLN 21 7.169 -0.962 2.940 408 H ALA 22 HN ALA 22 5.397 1.825 -3.505 409 HA ALA 22 HA ALA 22 8.101 2.735 -3.375 410 1HB ALA 22 HB1 ALA 22 6.862 2.404 -6.028 411 2HB ALA 22 HB2 ALA 22 6.817 0.992 -4.975 412 3HB ALA 22 HB3 ALA 22 8.363 1.739 -5.382 413 H LYS 23 HN LYS 23 5.080 4.066 -4.587 414 HA LYS 23 HA LYS 23 6.203 6.288 -5.933 415 1HB LYS 23 HB2 LYS 23 3.460 6.240 -4.692 416 2HB LYS 23 HB1 LYS 23 3.993 7.125 -6.115 417 1HG LYS 23 HG2 LYS 23 3.577 4.157 -5.862 418 2HG LYS 23 HG1 LYS 23 2.642 5.298 -6.829 419 1HD LYS 23 HD2 LYS 23 4.450 5.646 -8.326 420 2HD LYS 23 HD1 LYS 23 5.582 4.816 -7.257 421 1HE LYS 23 HE2 LYS 23 5.205 3.038 -8.568 422 2HE LYS 23 HE1 LYS 23 3.699 2.891 -7.665 423 1HZ LYS 23 HZ1 LYS 23 3.218 2.813 -9.989 424 2HZ LYS 23 HZ2 LYS 23 4.079 4.238 -10.283 425 3HZ LYS 23 HZ3 LYS 23 2.643 4.287 -9.391 426 H ARG 24 HN ARG 24 5.312 5.701 -2.601 427 HA ARG 24 HA ARG 24 5.431 8.445 -1.796 428 1HB ARG 24 HB2 ARG 24 4.108 6.810 -0.547 429 2HB ARG 24 HB1 ARG 24 5.566 5.908 -0.155 430 1HG ARG 24 HG2 ARG 24 6.140 7.304 1.505 431 2HG ARG 24 HG1 ARG 24 5.620 8.739 0.618 432 1HD ARG 24 HD2 ARG 24 3.243 7.496 1.115 433 2HD ARG 24 HD1 ARG 24 4.170 7.086 2.558 434 HE ARG 24 HE ARG 24 3.149 9.667 1.829 435 1HH1 ARG 24 HH11 ARG 24 5.612 7.989 3.645 436 2HH1 ARG 24 HH12 ARG 24 5.863 9.297 4.753 437 1HH2 ARG 24 HH21 ARG 24 3.477 11.388 3.285 438 2HH2 ARG 24 HH22 ARG 24 4.651 11.226 4.548 439 H THR 25 HN THR 25 7.655 5.688 -1.578 440 HA THR 25 HA THR 25 9.690 6.993 -0.147 441 HB THR 25 HB THR 25 10.463 4.953 -2.151 442 HG1 THR 25 HG1 THR 25 8.632 4.471 -0.050 443 1HG2 THR 25 HG21 THR 25 11.077 5.544 0.697 444 2HG2 THR 25 HG22 THR 25 12.167 5.254 -0.659 445 3HG2 THR 25 HG23 THR 25 11.304 3.906 0.081 446 H ARG 26 HN ARG 26 9.414 6.386 -3.652 447 HA ARG 26 HA ARG 26 11.705 7.652 -4.500 448 1HB ARG 26 HB2 ARG 26 10.413 8.126 -6.631 449 2HB ARG 26 HB1 ARG 26 10.445 6.449 -6.103 450 1HG ARG 26 HG2 ARG 26 8.240 6.480 -6.381 451 2HG ARG 26 HG1 ARG 26 8.184 7.423 -4.891 452 1HD ARG 26 HD2 ARG 26 6.904 8.523 -6.637 453 2HD ARG 26 HD1 ARG 26 8.315 9.489 -6.206 454 HE ARG 26 HE ARG 26 9.157 9.158 -8.315 455 1HH1 ARG 26 HH11 ARG 26 6.480 6.978 -7.793 456 2HH1 ARG 26 HH12 ARG 26 6.401 6.481 -9.450 457 1HH2 ARG 26 HH21 ARG 26 9.053 8.503 -10.494 458 2HH2 ARG 26 HH22 ARG 26 7.862 7.346 -10.982 459 H LEU 27 HN LEU 27 8.540 9.081 -3.821 460 HA LEU 27 HA LEU 27 9.196 11.711 -4.601 461 1HB LEU 27 HB2 LEU 27 7.018 10.386 -3.183 462 2HB LEU 27 HB1 LEU 27 7.352 11.987 -2.550 463 HG LEU 27 HG LEU 27 7.318 12.403 -5.280 464 1HD1 LEU 27 HD11 LEU 27 4.962 10.650 -4.647 465 2HD1 LEU 27 HD12 LEU 27 6.410 10.048 -5.452 466 3HD1 LEU 27 HD13 LEU 27 5.446 11.316 -6.207 467 1HD2 LEU 27 HD21 LEU 27 4.753 12.710 -3.859 468 2HD2 LEU 27 HD22 LEU 27 5.703 13.891 -4.760 469 3HD2 LEU 27 HD23 LEU 27 6.153 13.473 -3.107 470 H VAL 28 HN VAL 28 9.605 9.923 -1.597 471 HA VAL 28 HA VAL 28 10.327 12.097 0.046 472 HB VAL 28 HB VAL 28 11.301 9.253 0.280 473 1HG1 VAL 28 HG11 VAL 28 11.280 9.910 2.757 474 2HG1 VAL 28 HG12 VAL 28 11.215 11.575 2.178 475 3HG1 VAL 28 HG13 VAL 28 12.581 10.544 1.749 476 1HG2 VAL 28 HG21 VAL 28 9.247 8.617 0.848 477 2HG2 VAL 28 HG22 VAL 28 8.657 10.220 0.407 478 3HG2 VAL 28 HG23 VAL 28 9.154 9.888 2.066 479 H GLN 29 HN GLN 29 12.263 9.863 -1.906 480 HA GLN 29 HA GLN 29 14.806 10.734 -1.247 481 1HB GLN 29 HB2 GLN 29 13.575 9.426 -3.601 482 2HB GLN 29 HB1 GLN 29 15.121 10.215 -3.887 483 1HG GLN 29 HG2 GLN 29 16.162 8.455 -3.058 484 2HG GLN 29 HG1 GLN 29 15.379 8.731 -1.502 485 1HE2 GLN 29 HE21 GLN 29 14.720 6.820 -0.811 486 2HE2 GLN 29 HE22 GLN 29 13.804 5.674 -1.723 487 H GLN 30 HN GLN 30 12.392 12.174 -3.315 488 HA GLN 30 HA GLN 30 14.092 14.139 -4.488 489 1HB GLN 30 HB2 GLN 30 11.086 14.155 -4.154 490 2HB GLN 30 HB1 GLN 30 12.009 15.197 -5.229 491 1HG GLN 30 HG2 GLN 30 12.060 12.205 -5.453 492 2HG GLN 30 HG1 GLN 30 10.856 13.200 -6.270 493 1HE2 GLN 30 HE21 GLN 30 12.132 15.272 -7.241 494 2HE2 GLN 30 HE22 GLN 30 13.405 14.813 -8.316 495 H HIS 31 HN HIS 31 12.241 13.905 -1.534 496 HA HIS 31 HA HIS 31 13.445 16.409 -0.642 497 1HB HIS 31 HB2 HIS 31 11.358 17.300 0.229 498 2HB HIS 31 HB1 HIS 31 11.223 17.040 -1.506 499 HD1 HIS 31 HD1 HIS 31 9.896 14.786 -2.194 500 HD2 HIS 31 HD2 HIS 31 9.404 16.113 1.708 501 HE1 HIS 31 HE1 HIS 31 7.810 13.663 -1.361 502 HE2 HIS 31 HE2 HIS 31 7.646 14.334 1.061 503 HA PRO 32 HA PRO 32 13.506 12.984 2.517 504 1HB PRO 32 HB2 PRO 32 16.154 13.153 3.069 505 2HB PRO 32 HB1 PRO 32 15.515 12.170 1.745 506 1HG PRO 32 HG2 PRO 32 16.732 14.904 1.659 507 2HG PRO 32 HG1 PRO 32 16.991 13.529 0.570 508 1HD PRO 32 HD2 PRO 32 15.349 15.598 -0.046 509 2HD PRO 32 HD1 PRO 32 15.059 13.942 -0.614 510 H ARG 33 HN ARG 33 14.859 16.222 2.430 511 HA ARG 33 HA ARG 33 14.009 16.610 5.202 512 1HB ARG 33 HB2 ARG 33 16.737 17.402 4.163 513 2HB ARG 33 HB1 ARG 33 16.095 17.790 5.753 514 1HG ARG 33 HG2 ARG 33 17.006 15.917 6.500 515 2HG ARG 33 HG1 ARG 33 15.844 15.022 5.522 516 1HD ARG 33 HD2 ARG 33 17.354 14.723 3.779 517 2HD ARG 33 HD1 ARG 33 18.379 16.056 4.310 518 HE ARG 33 HE ARG 33 18.572 14.295 6.347 519 1HH1 ARG 33 HH11 ARG 33 18.983 13.984 2.895 520 2HH1 ARG 33 HH12 ARG 33 20.154 12.714 3.024 521 1HH2 ARG 33 HH21 ARG 33 20.112 12.624 6.517 522 2HH2 ARG 33 HH22 ARG 33 20.794 11.942 5.079 Start of MODEL 17 1 H CYS 1 HT1 CYS 1 13.857 22.613 -1.381 2 HA CYS 1 HA CYS 1 12.520 23.504 0.261 3 1HB CYS 1 HB2 CYS 1 12.144 25.953 0.409 4 2HB CYS 1 HB1 CYS 1 13.826 25.511 0.684 5 HG CYS 1 HG CYS 1 13.772 26.227 -2.122 6 H GLY 2 HN GLY 2 10.544 22.925 -0.349 7 1HA GLY 2 HA2 GLY 2 9.392 24.180 -2.755 8 2HA GLY 2 HA1 GLY 2 9.314 22.438 -2.540 9 H GLY 3 HN GLY 3 9.011 24.558 0.200 10 1HA GLY 3 HA2 GLY 3 7.267 24.950 1.638 11 2HA GLY 3 HA1 GLY 3 6.253 25.001 0.203 12 H ASP 4 HN ASP 4 8.051 22.127 0.967 13 HA ASP 4 HA ASP 4 7.414 20.022 1.558 14 1HB ASP 4 HB2 ASP 4 5.251 21.507 3.046 15 2HB ASP 4 HB1 ASP 4 5.632 19.800 3.256 16 H ASN 5 HN ASN 5 6.099 21.548 -0.746 17 HA ASN 5 HA ASN 5 3.480 20.716 -1.150 18 1HB ASN 5 HB2 ASN 5 5.691 21.657 -2.849 19 2HB ASN 5 HB1 ASN 5 4.525 20.635 -3.685 20 1HD2 ASN 5 HD21 ASN 5 2.175 21.280 -2.585 21 2HD2 ASN 5 HD22 ASN 5 1.806 22.946 -2.849 22 H ILE 6 HN ILE 6 6.463 18.985 -1.337 23 HA ILE 6 HA ILE 6 5.380 16.710 -2.736 24 HB ILE 6 HB ILE 6 7.953 16.820 -1.174 25 1HG1 ILE 6 HG12 ILE 6 7.597 17.517 -4.095 26 2HG1 ILE 6 HG11 ILE 6 7.749 18.718 -2.818 27 1HG2 ILE 6 HG21 ILE 6 7.195 15.199 -3.596 28 2HG2 ILE 6 HG22 ILE 6 7.112 14.617 -1.933 29 3HG2 ILE 6 HG23 ILE 6 8.669 15.060 -2.636 30 1HD1 ILE 6 HD11 ILE 6 9.823 16.619 -3.385 31 2HD1 ILE 6 HD12 ILE 6 9.970 18.024 -2.329 32 3HD1 ILE 6 HD13 ILE 6 9.846 18.241 -4.075 33 H GLU 7 HN GLU 7 6.390 17.489 0.561 34 HA GLU 7 HA GLU 7 5.900 15.035 1.773 35 1HB GLU 7 HB2 GLU 7 6.820 17.422 2.645 36 2HB GLU 7 HB1 GLU 7 5.209 17.442 3.348 37 1HG GLU 7 HG2 GLU 7 5.760 15.134 4.269 38 2HG GLU 7 HG1 GLU 7 7.430 15.487 3.829 39 H GLN 8 HN GLN 8 3.696 17.438 0.633 40 HA GLN 8 HA GLN 8 1.449 16.477 2.162 41 1HB GLN 8 HB2 GLN 8 1.606 18.838 1.469 42 2HB GLN 8 HB1 GLN 8 1.549 18.342 -0.217 43 1HG GLN 8 HG2 GLN 8 -0.642 18.681 -0.073 44 2HG GLN 8 HG1 GLN 8 -0.693 17.162 0.821 45 1HE2 GLN 8 HE21 GLN 8 -1.641 20.296 0.868 46 2HE2 GLN 8 HE22 GLN 8 -1.864 20.512 2.568 47 H LYS 9 HN LYS 9 2.679 16.192 -1.124 48 HA LYS 9 HA LYS 9 0.526 14.769 -2.228 49 1HB LYS 9 HB2 LYS 9 3.349 15.271 -2.949 50 2HB LYS 9 HB1 LYS 9 2.623 13.839 -3.666 51 1HG LYS 9 HG2 LYS 9 0.684 15.667 -4.126 52 2HG LYS 9 HG1 LYS 9 2.127 16.682 -4.200 53 1HD LYS 9 HD2 LYS 9 2.471 14.174 -5.627 54 2HD LYS 9 HD1 LYS 9 1.108 15.111 -6.242 55 1HE LYS 9 HE2 LYS 9 3.554 16.654 -5.714 56 2HE LYS 9 HE1 LYS 9 3.687 15.461 -7.005 57 1HZ LYS 9 HZ1 LYS 9 1.862 17.778 -6.825 58 2HZ LYS 9 HZ2 LYS 9 1.542 16.488 -7.871 59 3HZ LYS 9 HZ3 LYS 9 2.959 17.392 -8.053 60 H ILE 10 HN ILE 10 3.344 13.732 -0.398 61 HA ILE 10 HA ILE 10 2.969 10.947 -0.856 62 HB ILE 10 HB ILE 10 4.411 10.666 1.187 63 1HG1 ILE 10 HG12 ILE 10 4.756 13.659 0.956 64 2HG1 ILE 10 HG11 ILE 10 3.799 12.867 2.206 65 1HG2 ILE 10 HG21 ILE 10 5.191 10.769 -1.203 66 2HG2 ILE 10 HG22 ILE 10 6.404 11.162 0.014 67 3HG2 ILE 10 HG23 ILE 10 5.624 12.451 -0.902 68 1HD1 ILE 10 HD11 ILE 10 6.006 13.475 3.016 69 2HD1 ILE 10 HD12 ILE 10 6.748 12.493 1.752 70 3HD1 ILE 10 HD13 ILE 10 5.785 11.726 3.015 71 H ASP 11 HN ASP 11 2.004 13.158 1.750 72 HA ASP 11 HA ASP 11 0.981 11.354 3.572 73 1HB ASP 11 HB2 ASP 11 0.339 14.172 2.852 74 2HB ASP 11 HB1 ASP 11 -0.819 13.313 3.863 75 H ASP 12 HN ASP 12 -0.341 12.491 0.555 76 HA ASP 12 HA ASP 12 -2.954 11.409 0.866 77 1HB ASP 12 HB2 ASP 12 -1.428 11.958 -1.694 78 2HB ASP 12 HB1 ASP 12 -3.169 11.733 -1.550 79 H ILE 13 HN ILE 13 0.019 10.262 -0.659 80 HA ILE 13 HA ILE 13 -0.961 7.799 -1.589 81 HB ILE 13 HB ILE 13 1.857 8.380 -0.670 82 1HG1 ILE 13 HG12 ILE 13 0.541 8.870 -3.347 83 2HG1 ILE 13 HG11 ILE 13 1.165 10.091 -2.244 84 1HG2 ILE 13 HG21 ILE 13 2.481 6.430 -1.585 85 2HG2 ILE 13 HG22 ILE 13 1.401 6.621 -2.965 86 3HG2 ILE 13 HG23 ILE 13 0.777 6.000 -1.437 87 1HD1 ILE 13 HD11 ILE 13 3.102 9.996 -3.295 88 2HD1 ILE 13 HD12 ILE 13 2.513 8.688 -4.320 89 3HD1 ILE 13 HD13 ILE 13 3.285 8.321 -2.777 90 H ASP 14 HN ASP 14 0.643 8.698 1.457 91 HA ASP 14 HA ASP 14 0.870 6.241 2.668 92 1HB ASP 14 HB2 ASP 14 1.318 8.775 3.478 93 2HB ASP 14 HB1 ASP 14 -0.138 8.422 4.403 94 H HIS 15 HN HIS 15 -2.009 8.171 2.183 95 HA HIS 15 HA HIS 15 -3.667 6.609 3.923 96 1HB HIS 15 HB2 HIS 15 -4.023 9.046 3.130 97 2HB HIS 15 HB1 HIS 15 -4.678 8.321 1.666 98 HD1 HIS 15 HD1 HIS 15 -5.831 5.956 3.821 99 HD2 HIS 15 HD2 HIS 15 -6.768 9.987 3.434 100 HE1 HIS 15 HE1 HIS 15 -8.105 6.221 4.863 101 HE2 HIS 15 HE2 HIS 15 -8.687 8.652 4.542 102 H GLU 16 HN GLU 16 -2.681 6.487 0.594 103 HA GLU 16 HA GLU 16 -4.721 4.576 -0.140 104 1HB GLU 16 HB2 GLU 16 -2.292 5.282 -1.771 105 2HB GLU 16 HB1 GLU 16 -3.850 4.690 -2.337 106 1HG GLU 16 HG2 GLU 16 -3.631 7.328 -0.942 107 2HG GLU 16 HG1 GLU 16 -3.253 7.175 -2.658 108 H ILE 17 HN ILE 17 -1.338 4.589 0.740 109 HA ILE 17 HA ILE 17 -0.688 1.958 -0.035 110 HB ILE 17 HB ILE 17 0.520 3.485 2.273 111 1HG1 ILE 17 HG12 ILE 17 1.683 3.514 -0.478 112 2HG1 ILE 17 HG11 ILE 17 0.349 4.602 -0.117 113 1HG2 ILE 17 HG21 ILE 17 1.163 1.001 0.857 114 2HG2 ILE 17 HG22 ILE 17 1.629 1.545 2.469 115 3HG2 ILE 17 HG23 ILE 17 2.526 2.103 1.056 116 1HD1 ILE 17 HD11 ILE 17 1.709 6.008 0.907 117 2HD1 ILE 17 HD12 ILE 17 3.060 5.010 0.368 118 3HD1 ILE 17 HD13 ILE 17 2.333 4.731 1.951 119 H ALA 18 HN ALA 18 -2.194 3.316 2.816 120 HA ALA 18 HA ALA 18 -2.059 0.877 4.342 121 1HB ALA 18 HB1 ALA 18 -2.142 2.536 5.862 122 2HB ALA 18 HB2 ALA 18 -3.886 2.376 5.655 123 3HB ALA 18 HB3 ALA 18 -3.004 3.628 4.779 124 H ASP 19 HN ASP 19 -4.453 2.561 2.380 125 HA ASP 19 HA ASP 19 -6.743 1.159 3.061 126 1HB ASP 19 HB2 ASP 19 -5.821 2.623 0.644 127 2HB ASP 19 HB1 ASP 19 -7.209 1.557 0.449 128 H LEU 20 HN LEU 20 -4.226 0.311 0.721 129 HA LEU 20 HA LEU 20 -5.509 -2.060 -0.188 130 1HB LEU 20 HB2 LEU 20 -2.554 -1.565 -0.306 131 2HB LEU 20 HB1 LEU 20 -3.545 -2.498 -1.409 132 HG LEU 20 HG LEU 20 -3.331 0.491 -1.178 133 1HD1 LEU 20 HD11 LEU 20 -3.025 0.134 -3.700 134 2HD1 LEU 20 HD12 LEU 20 -2.771 -1.562 -3.287 135 3HD1 LEU 20 HD13 LEU 20 -1.703 -0.324 -2.626 136 1HD2 LEU 20 HD21 LEU 20 -5.724 -0.172 -1.310 137 2HD2 LEU 20 HD22 LEU 20 -5.365 -1.012 -2.818 138 3HD2 LEU 20 HD23 LEU 20 -5.159 0.737 -2.712 139 H GLN 21 HN GLN 21 -2.812 -1.476 2.055 140 HA GLN 21 HA GLN 21 -2.204 -4.075 2.732 141 1HB GLN 21 HB2 GLN 21 -1.348 -1.641 3.564 142 2HB GLN 21 HB1 GLN 21 -2.227 -2.173 4.991 143 1HG GLN 21 HG2 GLN 21 0.069 -3.571 3.644 144 2HG GLN 21 HG1 GLN 21 0.072 -2.782 5.221 145 1HE2 GLN 21 HE21 GLN 21 -0.540 -5.644 3.493 146 2HE2 GLN 21 HE22 GLN 21 -1.113 -6.600 4.812 147 H ALA 22 HN ALA 22 -4.806 -2.047 3.957 148 HA ALA 22 HA ALA 22 -5.641 -3.815 6.014 149 1HB ALA 22 HB1 ALA 22 -6.223 -1.256 5.417 150 2HB ALA 22 HB2 ALA 22 -7.200 -2.255 6.492 151 3HB ALA 22 HB3 ALA 22 -7.671 -2.055 4.805 152 H LYS 23 HN LYS 23 -6.450 -3.475 2.618 153 HA LYS 23 HA LYS 23 -8.707 -5.191 2.631 154 1HB LYS 23 HB2 LYS 23 -7.145 -3.727 0.681 155 2HB LYS 23 HB1 LYS 23 -7.565 -5.324 0.077 156 1HG LYS 23 HG2 LYS 23 -9.429 -4.268 -0.601 157 2HG LYS 23 HG1 LYS 23 -9.948 -4.569 1.057 158 1HD LYS 23 HD2 LYS 23 -10.340 -2.349 1.069 159 2HD LYS 23 HD1 LYS 23 -8.604 -2.245 1.375 160 1HE LYS 23 HE2 LYS 23 -8.165 -1.410 -0.670 161 2HE LYS 23 HE1 LYS 23 -9.359 -2.440 -1.459 162 1HZ LYS 23 HZ1 LYS 23 -10.182 -0.290 -1.694 163 2HZ LYS 23 HZ2 LYS 23 -9.777 0.159 -0.115 164 3HZ LYS 23 HZ3 LYS 23 -11.063 -0.906 -0.388 165 H ARG 24 HN ARG 24 -5.263 -5.720 2.251 166 HA ARG 24 HA ARG 24 -5.485 -8.430 1.378 167 1HB ARG 24 HB2 ARG 24 -3.502 -7.118 0.865 168 2HB ARG 24 HB1 ARG 24 -3.158 -6.918 2.578 169 1HG ARG 24 HG2 ARG 24 -2.186 -8.925 2.744 170 2HG ARG 24 HG1 ARG 24 -3.397 -9.707 1.726 171 1HD ARG 24 HD2 ARG 24 -2.175 -8.288 -0.155 172 2HD ARG 24 HD1 ARG 24 -0.832 -8.405 0.983 173 HE ARG 24 HE ARG 24 -1.812 -10.466 -0.698 174 1HH1 ARG 24 HH11 ARG 24 -0.472 -9.906 2.475 175 2HH1 ARG 24 HH12 ARG 24 0.191 -11.499 2.614 176 1HH2 ARG 24 HH21 ARG 24 -0.941 -12.561 -0.519 177 2HH2 ARG 24 HH22 ARG 24 -0.074 -13.007 0.913 178 H THR 25 HN THR 25 -4.868 -6.883 4.510 179 HA THR 25 HA THR 25 -4.408 -9.241 5.973 180 HB THR 25 HB THR 25 -5.728 -6.952 7.322 181 HG1 THR 25 HG1 THR 25 -3.171 -6.783 6.111 182 1HG2 THR 25 HG21 THR 25 -3.080 -7.697 8.208 183 2HG2 THR 25 HG22 THR 25 -4.185 -9.071 8.168 184 3HG2 THR 25 HG23 THR 25 -4.600 -7.632 9.101 185 H ARG 26 HN ARG 26 -7.365 -7.253 5.757 186 HA ARG 26 HA ARG 26 -9.051 -8.786 7.291 187 1HB ARG 26 HB2 ARG 26 -10.891 -7.942 5.743 188 2HB ARG 26 HB1 ARG 26 -9.882 -6.720 6.506 189 1HG ARG 26 HG2 ARG 26 -9.637 -5.861 4.473 190 2HG ARG 26 HG1 ARG 26 -8.566 -7.225 4.146 191 1HD ARG 26 HD2 ARG 26 -10.017 -7.462 2.403 192 2HD ARG 26 HD1 ARG 26 -10.854 -8.435 3.613 193 HE ARG 26 HE ARG 26 -11.674 -5.701 3.669 194 1HH1 ARG 26 HH11 ARG 26 -12.120 -8.730 1.996 195 2HH1 ARG 26 HH12 ARG 26 -13.717 -8.339 1.452 196 1HH2 ARG 26 HH21 ARG 26 -13.774 -5.184 2.955 197 2HH2 ARG 26 HH22 ARG 26 -14.657 -6.325 1.996 198 H LEU 27 HN LEU 27 -8.220 -9.205 3.885 199 HA LEU 27 HA LEU 27 -9.945 -11.373 3.371 200 1HB LEU 27 HB2 LEU 27 -7.510 -10.244 2.086 201 2HB LEU 27 HB1 LEU 27 -7.980 -11.872 1.637 202 HG LEU 27 HG LEU 27 -9.853 -9.516 1.463 203 1HD1 LEU 27 HD11 LEU 27 -7.713 -9.421 0.025 204 2HD1 LEU 27 HD12 LEU 27 -9.276 -9.179 -0.756 205 3HD1 LEU 27 HD13 LEU 27 -8.457 -10.736 -0.886 206 1HD2 LEU 27 HD21 LEU 27 -11.362 -10.925 0.543 207 2HD2 LEU 27 HD22 LEU 27 -10.481 -12.121 1.492 208 3HD2 LEU 27 HD23 LEU 27 -10.128 -11.924 -0.224 209 H VAL 28 HN VAL 28 -6.675 -11.162 4.668 210 HA VAL 28 HA VAL 28 -6.094 -13.927 4.635 211 HB VAL 28 HB VAL 28 -5.068 -11.899 6.615 212 1HG1 VAL 28 HG11 VAL 28 -4.383 -13.964 7.405 213 2HG1 VAL 28 HG12 VAL 28 -3.020 -13.473 6.400 214 3HG1 VAL 28 HG13 VAL 28 -4.195 -14.635 5.786 215 1HG2 VAL 28 HG21 VAL 28 -3.223 -12.429 4.499 216 2HG2 VAL 28 HG22 VAL 28 -3.938 -10.893 4.986 217 3HG2 VAL 28 HG23 VAL 28 -4.761 -11.913 3.807 218 H GLN 29 HN GLN 29 -7.476 -11.805 7.108 219 HA GLN 29 HA GLN 29 -7.721 -13.599 9.200 220 1HB GLN 29 HB2 GLN 29 -9.736 -11.479 8.428 221 2HB GLN 29 HB1 GLN 29 -9.543 -12.200 10.020 222 1HG GLN 29 HG2 GLN 29 -7.027 -11.234 9.449 223 2HG GLN 29 HG1 GLN 29 -8.104 -10.009 8.778 224 1HE2 GLN 29 HE21 GLN 29 -6.291 -10.135 11.184 225 2HE2 GLN 29 HE22 GLN 29 -7.286 -9.611 12.496 226 H GLN 30 HN GLN 30 -9.511 -13.350 6.238 227 HA GLN 30 HA GLN 30 -11.677 -15.046 7.039 228 1HB GLN 30 HB2 GLN 30 -11.419 -13.285 5.042 229 2HB GLN 30 HB1 GLN 30 -10.965 -14.742 4.167 230 1HG GLN 30 HG2 GLN 30 -13.515 -14.445 5.735 231 2HG GLN 30 HG1 GLN 30 -13.372 -14.133 4.006 232 1HE2 GLN 30 HE21 GLN 30 -14.171 -16.391 6.273 233 2HE2 GLN 30 HE22 GLN 30 -14.022 -17.821 5.315 234 H HIS 31 HN HIS 31 -8.523 -15.478 5.576 235 HA HIS 31 HA HIS 31 -8.888 -18.375 5.824 236 1HB HIS 31 HB2 HIS 31 -7.902 -18.834 3.669 237 2HB HIS 31 HB1 HIS 31 -9.285 -17.768 3.447 238 HD1 HIS 31 HD1 HIS 31 -8.504 -15.096 3.341 239 HD2 HIS 31 HD2 HIS 31 -5.718 -17.996 2.318 240 HE1 HIS 31 HE1 HIS 31 -6.775 -13.914 1.960 241 HE2 HIS 31 HE2 HIS 31 -4.988 -15.641 1.567 242 HA PRO 32 HA PRO 32 -4.850 -16.717 7.561 243 1HB PRO 32 HB2 PRO 32 -5.177 -17.725 10.062 244 2HB PRO 32 HB1 PRO 32 -5.766 -16.129 9.584 245 1HG PRO 32 HG2 PRO 32 -7.262 -18.713 9.802 246 2HG PRO 32 HG1 PRO 32 -7.750 -17.091 10.327 247 1HD PRO 32 HD2 PRO 32 -8.643 -18.199 8.027 248 2HD PRO 32 HD1 PRO 32 -8.374 -16.452 8.200 249 H ARG 33 HN ARG 33 -6.521 -19.796 7.685 250 HA ARG 33 HA ARG 33 -3.948 -21.200 7.898 251 1HB ARG 33 HB2 ARG 33 -6.690 -22.436 8.108 252 2HB ARG 33 HB1 ARG 33 -5.154 -23.129 8.607 253 1HG ARG 33 HG2 ARG 33 -5.721 -22.448 10.651 254 2HG ARG 33 HG1 ARG 33 -5.250 -20.841 10.092 255 1HD ARG 33 HD2 ARG 33 -7.385 -20.555 11.020 256 2HD ARG 33 HD1 ARG 33 -7.649 -20.598 9.277 257 HE ARG 33 HE ARG 33 -7.924 -23.160 10.551 258 1HH1 ARG 33 HH11 ARG 33 -9.562 -20.199 9.698 259 2HH1 ARG 33 HH12 ARG 33 -11.137 -20.918 9.713 260 1HH2 ARG 33 HH21 ARG 33 -9.994 -24.108 10.572 261 2HH2 ARG 33 HH22 ARG 33 -11.383 -23.138 10.211 262 H CYS 1 HN CYS 1 -17.660 -20.213 -1.414 263 HA CYS 1 HA CYS 1 -15.059 -19.264 -1.083 264 1HB CYS 1 HB2 CYS 1 -16.505 -21.758 -0.357 265 2HB CYS 1 HB1 CYS 1 -14.747 -21.805 -0.292 266 HG CYS 1 HG CYS 1 -16.147 -20.956 1.964 267 H GLY 2 HN GLY 2 -13.188 -21.104 -1.332 268 1HA GLY 2 HA2 GLY 2 -13.128 -22.651 -3.669 269 2HA GLY 2 HA1 GLY 2 -12.508 -21.055 -4.062 270 H GLY 3 HN GLY 3 -11.098 -23.592 -4.108 271 1HA GLY 3 HA2 GLY 3 -9.446 -23.980 -1.883 272 2HA GLY 3 HA1 GLY 3 -9.036 -24.421 -3.533 273 H ASP 4 HN ASP 4 -8.712 -22.033 -1.030 274 HA ASP 4 HA ASP 4 -7.220 -20.346 -0.705 275 1HB ASP 4 HB2 ASP 4 -5.773 -21.594 -3.042 276 2HB ASP 4 HB1 ASP 4 -5.097 -20.410 -1.928 277 H ASN 5 HN ASN 5 -9.394 -20.288 -2.898 278 HA ASN 5 HA ASN 5 -8.650 -18.613 -4.983 279 1HB ASN 5 HB2 ASN 5 -10.976 -19.774 -4.273 280 2HB ASN 5 HB1 ASN 5 -11.311 -18.124 -3.759 281 1HD2 ASN 5 HD21 ASN 5 -10.168 -16.585 -5.597 282 2HD2 ASN 5 HD22 ASN 5 -10.831 -16.880 -7.165 283 H ILE 6 HN ILE 6 -9.209 -17.966 -1.635 284 HA ILE 6 HA ILE 6 -9.417 -15.121 -1.861 285 HB ILE 6 HB ILE 6 -8.611 -16.665 0.594 286 1HG1 ILE 6 HG12 ILE 6 -11.403 -16.090 0.617 287 2HG1 ILE 6 HG11 ILE 6 -11.040 -16.916 -0.896 288 1HG2 ILE 6 HG21 ILE 6 -10.163 -14.102 0.303 289 2HG2 ILE 6 HG22 ILE 6 -8.434 -14.198 0.625 290 3HG2 ILE 6 HG23 ILE 6 -9.585 -14.832 1.800 291 1HD1 ILE 6 HD11 ILE 6 -10.539 -18.863 0.134 292 2HD1 ILE 6 HD12 ILE 6 -11.632 -18.202 1.350 293 3HD1 ILE 6 HD13 ILE 6 -9.887 -18.070 1.567 294 H GLU 7 HN GLU 7 -6.882 -17.401 -0.915 295 HA GLU 7 HA GLU 7 -4.865 -15.589 -0.294 296 1HB GLU 7 HB2 GLU 7 -5.058 -18.291 -0.291 297 2HB GLU 7 HB1 GLU 7 -4.025 -18.055 -1.693 298 1HG GLU 7 HG2 GLU 7 -2.310 -17.144 -0.446 299 2HG GLU 7 HG1 GLU 7 -3.380 -16.686 0.878 300 H GLN 8 HN GLN 8 -6.111 -16.600 -3.370 301 HA GLN 8 HA GLN 8 -3.882 -15.627 -4.900 302 1HB GLN 8 HB2 GLN 8 -5.535 -17.449 -5.599 303 2HB GLN 8 HB1 GLN 8 -6.667 -16.146 -5.930 304 1HG GLN 8 HG2 GLN 8 -5.797 -15.955 -7.949 305 2HG GLN 8 HG1 GLN 8 -4.280 -15.437 -7.215 306 1HE2 GLN 8 HE21 GLN 8 -5.231 -17.282 -9.533 307 2HE2 GLN 8 HE22 GLN 8 -4.192 -18.652 -9.374 308 H LYS 9 HN LYS 9 -7.110 -14.482 -4.061 309 HA LYS 9 HA LYS 9 -7.101 -12.136 -5.594 310 1HB LYS 9 HB2 LYS 9 -8.888 -13.385 -3.907 311 2HB LYS 9 HB1 LYS 9 -8.504 -11.907 -3.035 312 1HG LYS 9 HG2 LYS 9 -9.300 -10.544 -4.768 313 2HG LYS 9 HG1 LYS 9 -9.305 -11.877 -5.925 314 1HD LYS 9 HD2 LYS 9 -11.490 -12.036 -5.454 315 2HD LYS 9 HD1 LYS 9 -10.966 -12.809 -3.957 316 1HE LYS 9 HE2 LYS 9 -12.190 -11.194 -2.980 317 2HE LYS 9 HE1 LYS 9 -10.765 -10.199 -3.273 318 1HZ LYS 9 HZ1 LYS 9 -13.368 -10.134 -4.559 319 2HZ LYS 9 HZ2 LYS 9 -12.043 -9.925 -5.589 320 3HZ LYS 9 HZ3 LYS 9 -12.266 -8.881 -4.276 321 H ILE 10 HN ILE 10 -5.925 -12.807 -2.331 322 HA ILE 10 HA ILE 10 -5.318 -10.103 -1.707 323 HB ILE 10 HB ILE 10 -3.794 -11.094 0.035 324 1HG1 ILE 10 HG12 ILE 10 -5.081 -13.704 -0.773 325 2HG1 ILE 10 HG11 ILE 10 -3.436 -13.248 -1.211 326 1HG2 ILE 10 HG21 ILE 10 -5.832 -12.173 1.259 327 2HG2 ILE 10 HG22 ILE 10 -6.726 -11.592 -0.145 328 3HG2 ILE 10 HG23 ILE 10 -5.838 -10.454 0.867 329 1HD1 ILE 10 HD11 ILE 10 -4.514 -13.653 1.564 330 2HD1 ILE 10 HD12 ILE 10 -2.893 -13.069 1.188 331 3HD1 ILE 10 HD13 ILE 10 -3.383 -14.690 0.697 332 H ASP 11 HN ASP 11 -3.399 -12.789 -3.014 333 HA ASP 11 HA ASP 11 -0.879 -11.683 -2.981 334 1HB ASP 11 HB2 ASP 11 -1.928 -13.944 -4.045 335 2HB ASP 11 HB1 ASP 11 -1.623 -13.026 -5.517 336 H ASP 12 HN ASP 12 -3.578 -10.999 -5.080 337 HA ASP 12 HA ASP 12 -2.180 -9.387 -6.960 338 1HB ASP 12 HB2 ASP 12 -5.106 -9.257 -6.187 339 2HB ASP 12 HB1 ASP 12 -4.385 -8.616 -7.661 340 H ILE 13 HN ILE 13 -4.058 -8.692 -4.044 341 HA ILE 13 HA ILE 13 -3.795 -5.896 -4.098 342 HB ILE 13 HB ILE 13 -4.004 -7.629 -1.631 343 1HG1 ILE 13 HG12 ILE 13 -6.185 -6.517 -3.412 344 2HG1 ILE 13 HG11 ILE 13 -5.769 -8.217 -3.216 345 1HG2 ILE 13 HG21 ILE 13 -5.380 -5.064 -1.651 346 2HG2 ILE 13 HG22 ILE 13 -3.634 -4.910 -1.842 347 3HG2 ILE 13 HG23 ILE 13 -4.296 -5.759 -0.447 348 1HD1 ILE 13 HD11 ILE 13 -7.264 -8.339 -1.599 349 2HD1 ILE 13 HD12 ILE 13 -7.551 -6.601 -1.681 350 3HD1 ILE 13 HD13 ILE 13 -6.276 -7.236 -0.641 351 H ASP 14 HN ASP 14 -1.842 -8.405 -2.504 352 HA ASP 14 HA ASP 14 -0.032 -6.871 -1.129 353 1HB ASP 14 HB2 ASP 14 -0.260 -9.527 -1.673 354 2HB ASP 14 HB1 ASP 14 1.176 -9.123 -2.607 355 H HIS 15 HN HIS 15 -0.199 -7.450 -4.579 356 HA HIS 15 HA HIS 15 2.369 -6.306 -5.148 357 1HB HIS 15 HB2 HIS 15 1.006 -7.983 -6.576 358 2HB HIS 15 HB1 HIS 15 0.129 -6.563 -7.138 359 HD1 HIS 15 HD1 HIS 15 3.814 -6.390 -6.508 360 HD2 HIS 15 HD2 HIS 15 1.197 -6.753 -9.714 361 HE1 HIS 15 HE1 HIS 15 5.214 -6.021 -8.562 362 HE2 HIS 15 HE2 HIS 15 3.627 -6.336 -10.493 363 H GLU 16 HN GLU 16 -0.891 -5.152 -4.805 364 HA GLU 16 HA GLU 16 -0.319 -2.592 -6.015 365 1HB GLU 16 HB2 GLU 16 -2.753 -3.264 -4.378 366 2HB GLU 16 HB1 GLU 16 -2.595 -2.062 -5.652 367 1HG GLU 16 HG2 GLU 16 -2.202 -4.950 -6.289 368 2HG GLU 16 HG1 GLU 16 -3.832 -4.303 -6.104 369 H ILE 17 HN ILE 17 -0.544 -3.983 -2.822 370 HA ILE 17 HA ILE 17 -0.623 -1.600 -1.320 371 HB ILE 17 HB ILE 17 0.615 -4.220 -0.466 372 1HG1 ILE 17 HG12 ILE 17 -2.216 -3.475 0.139 373 2HG1 ILE 17 HG11 ILE 17 -1.841 -4.163 -1.436 374 1HG2 ILE 17 HG21 ILE 17 1.097 -2.952 1.324 375 2HG2 ILE 17 HG22 ILE 17 -0.610 -3.168 1.714 376 3HG2 ILE 17 HG23 ILE 17 -0.073 -1.707 0.885 377 1HD1 ILE 17 HD11 ILE 17 -2.235 -5.482 1.044 378 2HD1 ILE 17 HD12 ILE 17 -0.580 -5.771 0.510 379 3HD1 ILE 17 HD13 ILE 17 -1.931 -6.181 -0.546 380 H ALA 18 HN ALA 18 1.980 -3.474 -2.727 381 HA ALA 18 HA ALA 18 4.080 -2.032 -1.395 382 1HB ALA 18 HB1 ALA 18 5.332 -3.278 -3.445 383 2HB ALA 18 HB2 ALA 18 3.884 -4.274 -3.288 384 3HB ALA 18 HB3 ALA 18 4.951 -4.044 -1.902 385 H ASP 19 HN ASP 19 2.500 -1.916 -4.545 386 HA ASP 19 HA ASP 19 4.257 -0.272 -5.922 387 1HB ASP 19 HB2 ASP 19 1.340 -0.827 -6.082 388 2HB ASP 19 HB1 ASP 19 1.932 0.596 -6.933 389 H LEU 20 HN LEU 20 1.597 0.636 -3.760 390 HA LEU 20 HA LEU 20 1.915 3.431 -4.077 391 1HB LEU 20 HB2 LEU 20 0.805 2.133 -1.612 392 2HB LEU 20 HB1 LEU 20 0.376 3.678 -2.319 393 HG LEU 20 HG LEU 20 -0.368 0.932 -3.298 394 1HD1 LEU 20 HD11 LEU 20 -2.660 1.998 -3.154 395 2HD1 LEU 20 HD12 LEU 20 -1.885 3.310 -2.268 396 3HD1 LEU 20 HD13 LEU 20 -1.847 1.668 -1.625 397 1HD2 LEU 20 HD21 LEU 20 -0.927 3.537 -4.704 398 2HD2 LEU 20 HD22 LEU 20 -1.352 1.912 -5.243 399 3HD2 LEU 20 HD23 LEU 20 0.339 2.408 -5.185 400 H GLN 21 HN GLN 21 2.967 1.208 -1.503 401 HA GLN 21 HA GLN 21 4.214 2.996 0.173 402 1HB GLN 21 HB2 GLN 21 3.916 0.370 0.264 403 2HB GLN 21 HB1 GLN 21 5.563 0.385 -0.348 404 1HG GLN 21 HG2 GLN 21 4.888 2.037 2.034 405 2HG GLN 21 HG1 GLN 21 5.085 0.294 2.216 406 1HE2 GLN 21 HE21 GLN 21 6.654 2.993 2.736 407 2HE2 GLN 21 HE22 GLN 21 8.276 2.530 2.364 408 H ALA 22 HN ALA 22 5.421 1.614 -2.823 409 HA ALA 22 HA ALA 22 8.085 2.584 -2.551 410 1HB ALA 22 HB1 ALA 22 8.013 2.215 -5.138 411 2HB ALA 22 HB2 ALA 22 6.475 1.427 -4.781 412 3HB ALA 22 HB3 ALA 22 7.962 0.834 -4.042 413 H LYS 23 HN LYS 23 5.109 3.899 -3.825 414 HA LYS 23 HA LYS 23 6.258 6.060 -5.258 415 1HB LYS 23 HB2 LYS 23 3.561 5.221 -4.427 416 2HB LYS 23 HB1 LYS 23 3.766 6.958 -4.602 417 1HG LYS 23 HG2 LYS 23 2.937 5.864 -6.648 418 2HG LYS 23 HG1 LYS 23 4.472 6.700 -6.885 419 1HD LYS 23 HD2 LYS 23 5.504 4.812 -7.478 420 2HD LYS 23 HD1 LYS 23 4.862 3.942 -6.085 421 1HE LYS 23 HE2 LYS 23 2.769 3.559 -7.276 422 2HE LYS 23 HE1 LYS 23 3.380 4.464 -8.661 423 1HZ LYS 23 HZ1 LYS 23 5.300 2.680 -8.434 424 2HZ LYS 23 HZ2 LYS 23 3.898 2.379 -9.331 425 3HZ LYS 23 HZ3 LYS 23 4.044 1.769 -7.760 426 H ARG 24 HN ARG 24 5.212 5.632 -1.929 427 HA ARG 24 HA ARG 24 5.367 8.373 -1.193 428 1HB ARG 24 HB2 ARG 24 4.859 5.827 0.115 429 2HB ARG 24 HB1 ARG 24 5.828 6.895 1.121 430 1HG ARG 24 HG2 ARG 24 4.001 8.656 0.445 431 2HG ARG 24 HG1 ARG 24 3.038 7.207 0.161 432 1HD ARG 24 HD2 ARG 24 2.662 7.006 2.337 433 2HD ARG 24 HD1 ARG 24 4.396 6.913 2.642 434 HE ARG 24 HE ARG 24 3.275 9.572 2.300 435 1HH1 ARG 24 HH11 ARG 24 4.320 7.086 4.522 436 2HH1 ARG 24 HH12 ARG 24 4.519 8.183 5.845 437 1HH2 ARG 24 HH21 ARG 24 3.535 11.009 4.043 438 2HH2 ARG 24 HH22 ARG 24 4.073 10.407 5.576 439 H THR 25 HN THR 25 7.636 5.662 -0.961 440 HA THR 25 HA THR 25 9.650 7.012 0.462 441 HB THR 25 HB THR 25 10.527 4.981 -1.485 442 HG1 THR 25 HG1 THR 25 9.461 3.317 -0.312 443 1HG2 THR 25 HG21 THR 25 10.782 5.290 1.490 444 2HG2 THR 25 HG22 THR 25 12.031 5.519 0.265 445 3HG2 THR 25 HG23 THR 25 11.398 3.905 0.589 446 H ARG 26 HN ARG 26 9.444 6.311 -3.035 447 HA ARG 26 HA ARG 26 11.707 7.636 -3.864 448 1HB ARG 26 HB2 ARG 26 10.642 7.864 -6.054 449 2HB ARG 26 HB1 ARG 26 10.333 6.278 -5.364 450 1HG ARG 26 HG2 ARG 26 8.096 6.744 -4.969 451 2HG ARG 26 HG1 ARG 26 8.344 8.487 -5.047 452 1HD ARG 26 HD2 ARG 26 7.357 8.104 -7.081 453 2HD ARG 26 HD1 ARG 26 9.062 7.978 -7.507 454 HE ARG 26 HE ARG 26 7.871 5.466 -6.784 455 1HH1 ARG 26 HH11 ARG 26 8.415 7.726 -9.387 456 2HH1 ARG 26 HH12 ARG 26 8.251 6.529 -10.627 457 1HH2 ARG 26 HH21 ARG 26 7.655 3.890 -8.414 458 2HH2 ARG 26 HH22 ARG 26 7.820 4.352 -10.076 459 H LEU 27 HN LEU 27 8.525 8.977 -3.163 460 HA LEU 27 HA LEU 27 9.093 11.609 -4.034 461 1HB LEU 27 HB2 LEU 27 6.979 10.271 -2.483 462 2HB LEU 27 HB1 LEU 27 7.233 11.955 -2.065 463 HG LEU 27 HG LEU 27 7.110 12.245 -4.708 464 1HD1 LEU 27 HD11 LEU 27 6.855 9.794 -5.049 465 2HD1 LEU 27 HD12 LEU 27 5.543 10.755 -5.731 466 3HD1 LEU 27 HD13 LEU 27 5.304 9.886 -4.215 467 1HD2 LEU 27 HD21 LEU 27 5.675 13.244 -2.884 468 2HD2 LEU 27 HD22 LEU 27 4.595 11.866 -3.103 469 3HD2 LEU 27 HD23 LEU 27 4.881 12.983 -4.437 470 H VAL 28 HN VAL 28 9.486 9.909 -0.969 471 HA VAL 28 HA VAL 28 10.204 12.133 0.607 472 HB VAL 28 HB VAL 28 11.204 9.308 0.941 473 1HG1 VAL 28 HG11 VAL 28 10.878 10.276 3.435 474 2HG1 VAL 28 HG12 VAL 28 11.310 11.755 2.577 475 3HG1 VAL 28 HG13 VAL 28 12.394 10.364 2.538 476 1HG2 VAL 28 HG21 VAL 28 9.024 9.915 2.675 477 2HG2 VAL 28 HG22 VAL 28 9.142 8.653 1.449 478 3HG2 VAL 28 HG23 VAL 28 8.536 10.251 1.014 479 H GLN 29 HN GLN 29 12.130 9.839 -1.279 480 HA GLN 29 HA GLN 29 14.678 10.722 -0.657 481 1HB GLN 29 HB2 GLN 29 13.429 9.287 -2.904 482 2HB GLN 29 HB1 GLN 29 14.912 10.135 -3.322 483 1HG GLN 29 HG2 GLN 29 15.618 8.002 -2.731 484 2HG GLN 29 HG1 GLN 29 15.941 8.976 -1.296 485 1HE2 GLN 29 HE21 GLN 29 14.162 6.365 -2.634 486 2HE2 GLN 29 HE22 GLN 29 13.364 5.872 -1.183 487 H GLN 30 HN GLN 30 12.226 12.143 -2.669 488 HA GLN 30 HA GLN 30 13.923 14.056 -3.948 489 1HB GLN 30 HB2 GLN 30 11.433 13.160 -4.464 490 2HB GLN 30 HB1 GLN 30 11.039 14.653 -3.622 491 1HG GLN 30 HG2 GLN 30 12.953 15.497 -5.359 492 2HG GLN 30 HG1 GLN 30 12.154 14.230 -6.291 493 1HE2 GLN 30 HE21 GLN 30 12.163 17.071 -6.779 494 2HE2 GLN 30 HE22 GLN 30 10.516 17.590 -6.731 495 H HIS 31 HN HIS 31 12.076 13.932 -0.974 496 HA HIS 31 HA HIS 31 13.283 16.485 -0.196 497 1HB HIS 31 HB2 HIS 31 11.210 17.308 0.778 498 2HB HIS 31 HB1 HIS 31 10.990 17.000 -0.941 499 HD1 HIS 31 HD1 HIS 31 9.935 14.453 -1.380 500 HD2 HIS 31 HD2 HIS 31 9.193 16.292 2.265 501 HE1 HIS 31 HE1 HIS 31 7.903 13.312 -0.452 502 HE2 HIS 31 HE2 HIS 31 7.629 14.281 1.855 503 HA PRO 32 HA PRO 32 13.474 13.246 3.141 504 1HB PRO 32 HB2 PRO 32 16.095 12.720 3.127 505 2HB PRO 32 HB1 PRO 32 15.002 11.962 1.963 506 1HG PRO 32 HG2 PRO 32 16.870 14.263 1.588 507 2HG PRO 32 HG1 PRO 32 16.502 12.925 0.485 508 1HD PRO 32 HD2 PRO 32 15.403 15.466 0.328 509 2HD PRO 32 HD1 PRO 32 14.698 14.007 -0.392 510 H ARG 33 HN ARG 33 15.498 16.028 2.424 511 HA ARG 33 HA ARG 33 15.881 16.479 5.307 512 1HB ARG 33 HB2 ARG 33 17.486 17.251 2.894 513 2HB ARG 33 HB1 ARG 33 17.624 18.186 4.376 514 1HG ARG 33 HG2 ARG 33 19.341 16.676 4.600 515 2HG ARG 33 HG1 ARG 33 18.042 15.880 5.490 516 1HD ARG 33 HD2 ARG 33 19.123 14.259 4.084 517 2HD ARG 33 HD1 ARG 33 17.509 14.577 3.450 518 HE ARG 33 HE ARG 33 18.457 15.451 1.552 519 1HH1 ARG 33 HH11 ARG 33 20.913 15.135 4.012 520 2HH1 ARG 33 HH12 ARG 33 22.217 15.494 2.932 521 1HH2 ARG 33 HH21 ARG 33 20.172 15.921 0.130 522 2HH2 ARG 33 HH22 ARG 33 21.797 15.940 0.728 Start of MODEL 18 1 H CYS 1 HT1 CYS 1 12.546 21.068 3.306 2 HA CYS 1 HA CYS 1 12.999 18.433 4.511 3 1HB CYS 1 HB2 CYS 1 11.663 20.988 5.433 4 2HB CYS 1 HB1 CYS 1 11.760 19.503 6.373 5 HG CYS 1 HG CYS 1 13.691 21.459 6.791 6 H GLY 2 HN GLY 2 10.276 20.685 4.026 7 1HA GLY 2 HA2 GLY 2 8.735 19.123 2.333 8 2HA GLY 2 HA1 GLY 2 8.355 18.588 3.964 9 H GLY 3 HN GLY 3 6.253 19.327 3.996 10 1HA GLY 3 HA2 GLY 3 4.517 20.836 4.108 11 2HA GLY 3 HA1 GLY 3 5.690 21.837 4.950 12 H ASP 4 HN ASP 4 5.718 20.799 1.569 13 HA ASP 4 HA ASP 4 5.377 23.609 0.774 14 1HB ASP 4 HB2 ASP 4 7.396 21.589 -0.191 15 2HB ASP 4 HB1 ASP 4 6.989 23.026 -1.129 16 H ASN 5 HN ASN 5 5.932 20.794 -1.243 17 HA ASN 5 HA ASN 5 3.141 20.711 -2.080 18 1HB ASN 5 HB2 ASN 5 4.800 22.250 -3.548 19 2HB ASN 5 HB1 ASN 5 5.118 20.687 -4.297 20 1HD2 ASN 5 HD21 ASN 5 2.201 22.230 -2.992 21 2HD2 ASN 5 HD22 ASN 5 1.254 22.040 -4.424 22 H ILE 6 HN ILE 6 6.413 19.434 -2.431 23 HA ILE 6 HA ILE 6 5.692 16.901 -3.460 24 HB ILE 6 HB ILE 6 8.100 17.260 -1.712 25 1HG1 ILE 6 HG12 ILE 6 7.694 18.427 -4.471 26 2HG1 ILE 6 HG11 ILE 6 8.218 19.259 -3.010 27 1HG2 ILE 6 HG21 ILE 6 9.109 15.725 -3.278 28 2HG2 ILE 6 HG22 ILE 6 7.668 15.777 -4.294 29 3HG2 ILE 6 HG23 ILE 6 7.583 15.077 -2.679 30 1HD1 ILE 6 HD11 ILE 6 10.161 19.054 -4.244 31 2HD1 ILE 6 HD12 ILE 6 9.765 17.423 -4.788 32 3HD1 ILE 6 HD13 ILE 6 10.260 17.700 -3.118 33 H GLU 7 HN GLU 7 6.514 18.013 -0.210 34 HA GLU 7 HA GLU 7 6.185 15.654 1.197 35 1HB GLU 7 HB2 GLU 7 7.096 17.697 2.193 36 2HB GLU 7 HB1 GLU 7 5.513 18.459 2.108 37 1HG GLU 7 HG2 GLU 7 5.131 17.710 4.155 38 2HG GLU 7 HG1 GLU 7 5.088 16.079 3.488 39 H GLN 8 HN GLN 8 3.751 17.919 0.069 40 HA GLN 8 HA GLN 8 1.595 16.679 1.496 41 1HB GLN 8 HB2 GLN 8 1.888 19.108 0.359 42 2HB GLN 8 HB1 GLN 8 1.008 18.287 -0.923 43 1HG GLN 8 HG2 GLN 8 -0.830 18.865 0.178 44 2HG GLN 8 HG1 GLN 8 -0.407 17.591 1.320 45 1HE2 GLN 8 HE21 GLN 8 1.434 18.453 2.885 46 2HE2 GLN 8 HE22 GLN 8 1.036 19.941 3.666 47 H LYS 9 HN LYS 9 3.028 16.397 -1.684 48 HA LYS 9 HA LYS 9 1.016 14.953 -2.976 49 1HB LYS 9 HB2 LYS 9 3.932 15.335 -3.355 50 2HB LYS 9 HB1 LYS 9 3.213 13.942 -4.152 51 1HG LYS 9 HG2 LYS 9 1.447 15.836 -4.863 52 2HG LYS 9 HG1 LYS 9 2.906 16.817 -4.711 53 1HD LYS 9 HD2 LYS 9 4.008 14.938 -6.124 54 2HD LYS 9 HD1 LYS 9 2.347 14.526 -6.555 55 1HE LYS 9 HE2 LYS 9 2.222 17.138 -7.009 56 2HE LYS 9 HE1 LYS 9 3.957 16.926 -7.244 57 1HZ LYS 9 HZ1 LYS 9 3.266 15.018 -8.779 58 2HZ LYS 9 HZ2 LYS 9 3.061 16.600 -9.343 59 3HZ LYS 9 HZ3 LYS 9 1.731 15.729 -8.767 60 H ILE 10 HN ILE 10 3.679 13.862 -0.921 61 HA ILE 10 HA ILE 10 3.190 11.094 -1.316 62 HB ILE 10 HB ILE 10 4.502 10.798 0.814 63 1HG1 ILE 10 HG12 ILE 10 4.997 13.766 0.527 64 2HG1 ILE 10 HG11 ILE 10 3.940 13.056 1.744 65 1HG2 ILE 10 HG21 ILE 10 6.373 10.756 -0.421 66 2HG2 ILE 10 HG22 ILE 10 6.232 12.456 -0.870 67 3HG2 ILE 10 HG23 ILE 10 5.302 11.234 -1.738 68 1HD1 ILE 10 HD11 ILE 10 5.839 11.836 2.671 69 2HD1 ILE 10 HD12 ILE 10 6.112 13.578 2.672 70 3HD1 ILE 10 HD13 ILE 10 6.893 12.563 1.459 71 H ASP 11 HN ASP 11 2.183 13.396 1.198 72 HA ASP 11 HA ASP 11 0.996 11.702 3.006 73 1HB ASP 11 HB2 ASP 11 0.270 14.468 2.074 74 2HB ASP 11 HB1 ASP 11 -0.728 13.639 3.265 75 H ASP 12 HN ASP 12 -0.138 12.724 -0.130 76 HA ASP 12 HA ASP 12 -2.776 11.683 0.084 77 1HB ASP 12 HB2 ASP 12 -1.548 13.274 -1.727 78 2HB ASP 12 HB1 ASP 12 -1.484 11.740 -2.587 79 H ILE 13 HN ILE 13 0.234 10.449 -1.321 80 HA ILE 13 HA ILE 13 -0.750 7.965 -2.177 81 HB ILE 13 HB ILE 13 2.051 8.535 -1.194 82 1HG1 ILE 13 HG12 ILE 13 0.846 8.914 -3.947 83 2HG1 ILE 13 HG11 ILE 13 1.393 10.195 -2.868 84 1HG2 ILE 13 HG21 ILE 13 2.617 6.506 -1.918 85 2HG2 ILE 13 HG22 ILE 13 1.749 6.722 -3.439 86 3HG2 ILE 13 HG23 ILE 13 0.891 6.156 -2.006 87 1HD1 ILE 13 HD11 ILE 13 2.860 9.050 -4.866 88 2HD1 ILE 13 HD12 ILE 13 3.447 8.213 -3.430 89 3HD1 ILE 13 HD13 ILE 13 3.510 9.974 -3.511 90 H ASP 14 HN ASP 14 0.841 8.902 0.866 91 HA ASP 14 HA ASP 14 0.976 6.490 2.155 92 1HB ASP 14 HB2 ASP 14 1.472 9.043 2.888 93 2HB ASP 14 HB1 ASP 14 0.006 8.742 3.816 94 H HIS 15 HN HIS 15 -1.850 8.467 1.570 95 HA HIS 15 HA HIS 15 -3.558 7.004 3.352 96 1HB HIS 15 HB2 HIS 15 -3.810 9.435 2.393 97 2HB HIS 15 HB1 HIS 15 -4.592 8.615 1.047 98 HD1 HIS 15 HD1 HIS 15 -5.543 6.578 3.700 99 HD2 HIS 15 HD2 HIS 15 -6.620 10.429 2.572 100 HE1 HIS 15 HE1 HIS 15 -7.759 7.007 4.808 101 HE2 HIS 15 HE2 HIS 15 -8.431 9.312 4.043 102 H GLU 16 HN GLU 16 -2.576 6.769 0.028 103 HA GLU 16 HA GLU 16 -4.651 4.883 -0.662 104 1HB GLU 16 HB2 GLU 16 -2.195 5.501 -2.291 105 2HB GLU 16 HB1 GLU 16 -3.756 4.916 -2.856 106 1HG GLU 16 HG2 GLU 16 -4.768 7.003 -2.576 107 2HG GLU 16 HG1 GLU 16 -3.465 7.594 -1.545 108 H ILE 17 HN ILE 17 -1.260 4.844 0.197 109 HA ILE 17 HA ILE 17 -0.670 2.179 -0.483 110 HB ILE 17 HB ILE 17 0.564 3.738 1.790 111 1HG1 ILE 17 HG12 ILE 17 1.733 3.703 -0.958 112 2HG1 ILE 17 HG11 ILE 17 0.417 4.818 -0.621 113 1HG2 ILE 17 HG21 ILE 17 0.983 1.145 0.961 114 2HG2 ILE 17 HG22 ILE 17 2.093 2.121 1.921 115 3HG2 ILE 17 HG23 ILE 17 2.281 2.041 0.169 116 1HD1 ILE 17 HD11 ILE 17 3.192 5.039 0.015 117 2HD1 ILE 17 HD12 ILE 17 2.235 5.089 1.495 118 3HD1 ILE 17 HD13 ILE 17 1.907 6.232 0.192 119 H ALA 18 HN ALA 18 -2.122 3.665 2.334 120 HA ALA 18 HA ALA 18 -2.041 1.288 3.949 121 1HB ALA 18 HB1 ALA 18 -2.599 2.649 5.632 122 2HB ALA 18 HB2 ALA 18 -3.963 3.334 4.748 123 3HB ALA 18 HB3 ALA 18 -2.336 3.961 4.483 124 H ASP 19 HN ASP 19 -4.409 2.902 1.895 125 HA ASP 19 HA ASP 19 -6.712 1.547 2.653 126 1HB ASP 19 HB2 ASP 19 -5.793 2.910 0.175 127 2HB ASP 19 HB1 ASP 19 -7.186 1.843 0.029 128 H LEU 20 HN LEU 20 -4.346 0.669 0.150 129 HA LEU 20 HA LEU 20 -5.571 -1.734 -0.630 130 1HB LEU 20 HB2 LEU 20 -2.602 -1.305 -0.671 131 2HB LEU 20 HB1 LEU 20 -3.584 -2.236 -1.785 132 HG LEU 20 HG LEU 20 -3.338 0.756 -1.595 133 1HD1 LEU 20 HD11 LEU 20 -1.623 -0.147 -2.915 134 2HD1 LEU 20 HD12 LEU 20 -2.848 0.395 -4.063 135 3HD1 LEU 20 HD13 LEU 20 -2.703 -1.318 -3.671 136 1HD2 LEU 20 HD21 LEU 20 -5.077 0.977 -3.231 137 2HD2 LEU 20 HD22 LEU 20 -5.722 0.081 -1.857 138 3HD2 LEU 20 HD23 LEU 20 -5.270 -0.773 -3.332 139 H GLN 21 HN GLN 21 -2.901 -1.150 1.655 140 HA GLN 21 HA GLN 21 -2.353 -3.728 2.424 141 1HB GLN 21 HB2 GLN 21 -1.413 -1.370 3.209 142 2HB GLN 21 HB1 GLN 21 -2.492 -1.659 4.567 143 1HG GLN 21 HG2 GLN 21 -0.906 -2.879 5.501 144 2HG GLN 21 HG1 GLN 21 -1.089 -4.049 4.195 145 1HE2 GLN 21 HE21 GLN 21 0.726 -4.540 3.216 146 2HE2 GLN 21 HE22 GLN 21 2.093 -3.504 3.011 147 H ALA 22 HN ALA 22 -5.088 -1.740 3.305 148 HA ALA 22 HA ALA 22 -6.011 -3.408 5.433 149 1HB ALA 22 HB1 ALA 22 -7.630 -1.862 5.722 150 2HB ALA 22 HB2 ALA 22 -7.981 -1.748 3.997 151 3HB ALA 22 HB3 ALA 22 -6.597 -0.891 4.675 152 H LYS 23 HN LYS 23 -6.490 -3.287 1.972 153 HA LYS 23 HA LYS 23 -8.752 -4.980 1.832 154 1HB LYS 23 HB2 LYS 23 -6.614 -4.690 -0.279 155 2HB LYS 23 HB1 LYS 23 -8.293 -5.155 -0.515 156 1HG LYS 23 HG2 LYS 23 -7.438 -2.459 0.506 157 2HG LYS 23 HG1 LYS 23 -7.736 -2.822 -1.194 158 1HD LYS 23 HD2 LYS 23 -10.034 -3.656 -0.403 159 2HD LYS 23 HD1 LYS 23 -9.680 -2.788 1.093 160 1HE LYS 23 HE2 LYS 23 -10.579 -1.015 0.065 161 2HE LYS 23 HE1 LYS 23 -9.055 -0.932 -0.817 162 1HZ LYS 23 HZ1 LYS 23 -11.018 -0.880 -2.273 163 2HZ LYS 23 HZ2 LYS 23 -11.453 -2.423 -1.735 164 3HZ LYS 23 HZ3 LYS 23 -10.014 -2.204 -2.596 165 H ARG 24 HN ARG 24 -5.293 -5.588 1.924 166 HA ARG 24 HA ARG 24 -5.485 -8.368 1.303 167 1HB ARG 24 HB2 ARG 24 -3.376 -6.466 2.039 168 2HB ARG 24 HB1 ARG 24 -3.105 -8.095 2.645 169 1HG ARG 24 HG2 ARG 24 -3.660 -8.799 0.200 170 2HG ARG 24 HG1 ARG 24 -3.256 -7.120 -0.165 171 1HD ARG 24 HD2 ARG 24 -1.102 -7.639 -0.122 172 2HD ARG 24 HD1 ARG 24 -1.257 -8.111 1.568 173 HE ARG 24 HE ARG 24 -2.002 -10.089 -0.433 174 1HH1 ARG 24 HH11 ARG 24 0.413 -8.923 1.809 175 2HH1 ARG 24 HH12 ARG 24 1.261 -10.431 1.865 176 1HH2 ARG 24 HH21 ARG 24 -0.882 -12.066 -0.356 177 2HH2 ARG 24 HH22 ARG 24 0.529 -12.213 0.638 178 H THR 25 HN THR 25 -5.092 -6.546 4.328 179 HA THR 25 HA THR 25 -4.840 -8.692 6.078 180 HB THR 25 HB THR 25 -6.428 -6.394 7.033 181 HG1 THR 25 HG1 THR 25 -3.817 -6.092 5.978 182 1HG2 THR 25 HG21 THR 25 -5.586 -7.336 8.876 183 2HG2 THR 25 HG22 THR 25 -4.148 -6.398 8.471 184 3HG2 THR 25 HG23 THR 25 -4.253 -8.096 8.006 185 H ARG 26 HN ARG 26 -7.792 -6.921 5.177 186 HA ARG 26 HA ARG 26 -9.623 -8.367 6.659 187 1HB ARG 26 HB2 ARG 26 -11.308 -7.661 5.000 188 2HB ARG 26 HB1 ARG 26 -10.245 -6.343 5.472 189 1HG ARG 26 HG2 ARG 26 -8.990 -6.578 3.413 190 2HG ARG 26 HG1 ARG 26 -9.979 -7.961 2.946 191 1HD ARG 26 HD2 ARG 26 -10.886 -6.147 1.768 192 2HD ARG 26 HD1 ARG 26 -11.976 -6.395 3.131 193 HE ARG 26 HE ARG 26 -9.911 -4.462 3.641 194 1HH1 ARG 26 HH11 ARG 26 -13.101 -4.959 2.315 195 2HH1 ARG 26 HH12 ARG 26 -13.584 -3.311 2.530 196 1HH2 ARG 26 HH21 ARG 26 -10.546 -2.292 3.925 197 2HH2 ARG 26 HH22 ARG 26 -12.134 -1.797 3.445 198 H LEU 27 HN LEU 27 -8.372 -9.045 3.419 199 HA LEU 27 HA LEU 27 -9.940 -11.360 2.986 200 1HB LEU 27 HB2 LEU 27 -7.527 -10.157 1.729 201 2HB LEU 27 HB1 LEU 27 -7.876 -11.841 1.385 202 HG LEU 27 HG LEU 27 -10.251 -10.219 1.067 203 1HD1 LEU 27 HD11 LEU 27 -7.741 -9.165 -0.029 204 2HD1 LEU 27 HD12 LEU 27 -9.285 -8.363 0.260 205 3HD1 LEU 27 HD13 LEU 27 -9.054 -9.333 -1.194 206 1HD2 LEU 27 HD21 LEU 27 -10.371 -12.235 0.000 207 2HD2 LEU 27 HD22 LEU 27 -8.672 -12.215 -0.470 208 3HD2 LEU 27 HD23 LEU 27 -9.838 -11.219 -1.339 209 H VAL 28 HN VAL 28 -6.825 -10.788 4.519 210 HA VAL 28 HA VAL 28 -5.970 -13.473 4.659 211 HB VAL 28 HB VAL 28 -5.394 -11.287 6.653 212 1HG1 VAL 28 HG11 VAL 28 -4.745 -13.384 7.559 213 2HG1 VAL 28 HG12 VAL 28 -3.275 -12.603 6.974 214 3HG1 VAL 28 HG13 VAL 28 -4.025 -13.894 6.033 215 1HG2 VAL 28 HG21 VAL 28 -4.646 -11.515 3.900 216 2HG2 VAL 28 HG22 VAL 28 -3.210 -11.668 4.911 217 3HG2 VAL 28 HG23 VAL 28 -4.244 -10.248 5.058 218 H GLN 29 HN GLN 29 -7.815 -11.456 6.914 219 HA GLN 29 HA GLN 29 -8.124 -13.250 9.001 220 1HB GLN 29 HB2 GLN 29 -9.770 -10.995 7.940 221 2HB GLN 29 HB1 GLN 29 -10.488 -12.050 9.149 222 1HG GLN 29 HG2 GLN 29 -9.372 -11.060 10.783 223 2HG GLN 29 HG1 GLN 29 -7.837 -11.267 9.940 224 1HE2 GLN 29 HE21 GLN 29 -6.927 -9.564 8.928 225 2HE2 GLN 29 HE22 GLN 29 -7.602 -7.974 8.897 226 H GLN 30 HN GLN 30 -9.742 -13.055 5.908 227 HA GLN 30 HA GLN 30 -11.796 -14.931 6.436 228 1HB GLN 30 HB2 GLN 30 -11.416 -13.232 4.439 229 2HB GLN 30 HB1 GLN 30 -10.656 -14.630 3.693 230 1HG GLN 30 HG2 GLN 30 -12.719 -15.073 2.961 231 2HG GLN 30 HG1 GLN 30 -12.963 -15.724 4.581 232 1HE2 GLN 30 HE21 GLN 30 -13.388 -13.734 6.183 233 2HE2 GLN 30 HE22 GLN 30 -14.701 -12.731 5.678 234 H HIS 31 HN HIS 31 -8.440 -15.203 5.479 235 HA HIS 31 HA HIS 31 -8.589 -18.074 5.926 236 1HB HIS 31 HB2 HIS 31 -7.428 -18.656 3.865 237 2HB HIS 31 HB1 HIS 31 -8.951 -17.853 3.506 238 HD1 HIS 31 HD1 HIS 31 -8.566 -15.106 3.127 239 HD2 HIS 31 HD2 HIS 31 -5.389 -17.673 2.395 240 HE1 HIS 31 HE1 HIS 31 -7.021 -13.847 1.603 241 HE2 HIS 31 HE2 HIS 31 -5.004 -15.336 1.375 242 HA PRO 32 HA PRO 32 -4.877 -16.120 7.858 243 1HB PRO 32 HB2 PRO 32 -4.874 -17.817 10.002 244 2HB PRO 32 HB1 PRO 32 -5.793 -16.308 9.948 245 1HG PRO 32 HG2 PRO 32 -6.719 -19.111 9.453 246 2HG PRO 32 HG1 PRO 32 -7.517 -17.811 10.357 247 1HD PRO 32 HD2 PRO 32 -8.240 -18.454 7.844 248 2HD PRO 32 HD1 PRO 32 -8.295 -16.782 8.439 249 H ARG 33 HN ARG 33 -5.720 -19.415 7.057 250 HA ARG 33 HA ARG 33 -2.855 -20.012 6.718 251 1HB ARG 33 HB2 ARG 33 -4.946 -22.063 7.440 252 2HB ARG 33 HB1 ARG 33 -3.200 -22.270 7.416 253 1HG ARG 33 HG2 ARG 33 -2.983 -21.523 9.498 254 2HG ARG 33 HG1 ARG 33 -4.022 -20.130 9.192 255 1HD ARG 33 HD2 ARG 33 -5.309 -21.221 10.724 256 2HD ARG 33 HD1 ARG 33 -5.907 -21.985 9.252 257 HE ARG 33 HE ARG 33 -3.693 -23.366 10.459 258 1HH1 ARG 33 HH11 ARG 33 -7.163 -22.993 10.428 259 2HH1 ARG 33 HH12 ARG 33 -7.464 -24.568 11.080 260 1HH2 ARG 33 HH21 ARG 33 -4.087 -25.439 11.316 261 2HH2 ARG 33 HH22 ARG 33 -5.718 -25.957 11.584 262 H CYS 1 HN CYS 1 -12.399 -22.167 4.509 263 HA CYS 1 HA CYS 1 -14.287 -20.975 3.942 264 1HB CYS 1 HB2 CYS 1 -12.176 -19.151 2.918 265 2HB CYS 1 HB1 CYS 1 -13.783 -18.984 2.221 266 HG CYS 1 HG CYS 1 -13.629 -18.858 5.291 267 H GLY 2 HN GLY 2 -11.872 -21.632 1.457 268 1HA GLY 2 HA2 GLY 2 -13.316 -23.437 -0.007 269 2HA GLY 2 HA1 GLY 2 -13.792 -21.877 -0.662 270 H GLY 3 HN GLY 3 -10.849 -23.694 0.203 271 1HA GLY 3 HA2 GLY 3 -8.938 -24.066 -1.034 272 2HA GLY 3 HA1 GLY 3 -9.753 -23.355 -2.418 273 H ASP 4 HN ASP 4 -7.614 -22.429 -2.843 274 HA ASP 4 HA ASP 4 -6.841 -20.236 -1.072 275 1HB ASP 4 HB2 ASP 4 -5.477 -21.354 -3.522 276 2HB ASP 4 HB1 ASP 4 -4.824 -20.099 -2.474 277 H ASN 5 HN ASN 5 -9.151 -20.399 -3.165 278 HA ASN 5 HA ASN 5 -8.715 -18.627 -5.248 279 1HB ASN 5 HB2 ASN 5 -10.875 -20.006 -4.364 280 2HB ASN 5 HB1 ASN 5 -11.328 -18.376 -3.876 281 1HD2 ASN 5 HD21 ASN 5 -10.123 -16.947 -5.947 282 2HD2 ASN 5 HD22 ASN 5 -10.965 -17.294 -7.415 283 H ILE 6 HN ILE 6 -9.091 -18.062 -1.862 284 HA ILE 6 HA ILE 6 -9.524 -15.221 -2.088 285 HB ILE 6 HB ILE 6 -8.688 -16.761 0.364 286 1HG1 ILE 6 HG12 ILE 6 -11.514 -16.208 -0.563 287 2HG1 ILE 6 HG11 ILE 6 -10.707 -17.764 -0.727 288 1HG2 ILE 6 HG21 ILE 6 -9.636 -14.969 1.600 289 2HG2 ILE 6 HG22 ILE 6 -10.329 -14.251 0.144 290 3HG2 ILE 6 HG23 ILE 6 -8.581 -14.264 0.374 291 1HD1 ILE 6 HD11 ILE 6 -11.897 -16.485 1.633 292 2HD1 ILE 6 HD12 ILE 6 -10.368 -17.323 1.906 293 3HD1 ILE 6 HD13 ILE 6 -11.739 -18.191 1.216 294 H GLU 7 HN GLU 7 -6.888 -17.391 -1.191 295 HA GLU 7 HA GLU 7 -4.966 -15.500 -0.498 296 1HB GLU 7 HB2 GLU 7 -5.053 -18.234 -0.633 297 2HB GLU 7 HB1 GLU 7 -3.927 -17.847 -1.926 298 1HG GLU 7 HG2 GLU 7 -2.718 -16.402 -0.209 299 2HG GLU 7 HG1 GLU 7 -3.696 -17.235 0.998 300 H GLN 8 HN GLN 8 -6.135 -16.485 -3.614 301 HA GLN 8 HA GLN 8 -3.927 -15.413 -5.099 302 1HB GLN 8 HB2 GLN 8 -5.813 -17.190 -5.745 303 2HB GLN 8 HB1 GLN 8 -6.603 -15.745 -6.360 304 1HG GLN 8 HG2 GLN 8 -5.140 -15.495 -8.057 305 2HG GLN 8 HG1 GLN 8 -3.778 -16.107 -7.119 306 1HE2 GLN 8 HE21 GLN 8 -6.897 -17.341 -8.292 307 2HE2 GLN 8 HE22 GLN 8 -6.267 -18.823 -8.920 308 H LYS 9 HN LYS 9 -7.126 -14.310 -4.140 309 HA LYS 9 HA LYS 9 -7.204 -11.942 -5.641 310 1HB LYS 9 HB2 LYS 9 -8.559 -12.856 -3.126 311 2HB LYS 9 HB1 LYS 9 -8.766 -11.203 -3.689 312 1HG LYS 9 HG2 LYS 9 -9.856 -11.877 -5.640 313 2HG LYS 9 HG1 LYS 9 -9.285 -13.541 -5.490 314 1HD LYS 9 HD2 LYS 9 -11.337 -13.925 -4.651 315 2HD LYS 9 HD1 LYS 9 -10.661 -13.249 -3.168 316 1HE LYS 9 HE2 LYS 9 -11.871 -11.356 -3.328 317 2HE LYS 9 HE1 LYS 9 -11.693 -11.270 -5.081 318 1HZ LYS 9 HZ1 LYS 9 -13.297 -13.369 -4.865 319 2HZ LYS 9 HZ2 LYS 9 -13.870 -11.785 -5.009 320 3HZ LYS 9 HZ3 LYS 9 -13.780 -12.516 -3.486 321 H ILE 10 HN ILE 10 -5.838 -12.667 -2.472 322 HA ILE 10 HA ILE 10 -5.239 -9.955 -1.830 323 HB ILE 10 HB ILE 10 -3.676 -10.945 -0.139 324 1HG1 ILE 10 HG12 ILE 10 -4.913 -13.573 -0.963 325 2HG1 ILE 10 HG11 ILE 10 -3.283 -13.073 -1.408 326 1HG2 ILE 10 HG21 ILE 10 -5.434 -11.604 1.338 327 2HG2 ILE 10 HG22 ILE 10 -6.480 -12.026 -0.017 328 3HG2 ILE 10 HG23 ILE 10 -6.056 -10.340 0.277 329 1HD1 ILE 10 HD11 ILE 10 -4.281 -13.415 1.406 330 2HD1 ILE 10 HD12 ILE 10 -2.638 -13.000 0.918 331 3HD1 ILE 10 HD13 ILE 10 -3.306 -14.581 0.513 332 H ASP 11 HN ASP 11 -3.344 -12.625 -3.213 333 HA ASP 11 HA ASP 11 -0.836 -11.487 -3.250 334 1HB ASP 11 HB2 ASP 11 -2.250 -13.376 -5.098 335 2HB ASP 11 HB1 ASP 11 -0.667 -12.753 -5.557 336 H ASP 12 HN ASP 12 -3.605 -10.836 -5.266 337 HA ASP 12 HA ASP 12 -2.277 -9.231 -7.202 338 1HB ASP 12 HB2 ASP 12 -4.766 -10.282 -7.048 339 2HB ASP 12 HB1 ASP 12 -5.110 -8.624 -6.561 340 H ILE 13 HN ILE 13 -4.136 -8.496 -4.280 341 HA ILE 13 HA ILE 13 -3.871 -5.707 -4.355 342 HB ILE 13 HB ILE 13 -4.025 -7.416 -1.870 343 1HG1 ILE 13 HG12 ILE 13 -6.217 -6.398 -3.684 344 2HG1 ILE 13 HG11 ILE 13 -5.807 -8.078 -3.357 345 1HG2 ILE 13 HG21 ILE 13 -3.678 -4.703 -2.103 346 2HG2 ILE 13 HG22 ILE 13 -4.345 -5.537 -0.700 347 3HG2 ILE 13 HG23 ILE 13 -5.425 -4.858 -1.918 348 1HD1 ILE 13 HD11 ILE 13 -7.686 -6.474 -2.042 349 2HD1 ILE 13 HD12 ILE 13 -6.368 -6.733 -0.899 350 3HD1 ILE 13 HD13 ILE 13 -7.183 -8.115 -1.632 351 H ASP 14 HN ASP 14 -1.884 -8.180 -2.741 352 HA ASP 14 HA ASP 14 -0.060 -6.603 -1.432 353 1HB ASP 14 HB2 ASP 14 -0.289 -9.258 -1.823 354 2HB ASP 14 HB1 ASP 14 1.075 -8.925 -2.886 355 H HIS 15 HN HIS 15 -0.289 -7.265 -4.860 356 HA HIS 15 HA HIS 15 2.275 -6.163 -5.513 357 1HB HIS 15 HB2 HIS 15 0.737 -7.818 -6.864 358 2HB HIS 15 HB1 HIS 15 0.031 -6.331 -7.488 359 HD1 HIS 15 HD1 HIS 15 3.367 -5.403 -7.036 360 HD2 HIS 15 HD2 HIS 15 1.453 -7.866 -9.780 361 HE1 HIS 15 HE1 HIS 15 4.922 -5.550 -9.007 362 HE2 HIS 15 HE2 HIS 15 3.706 -6.978 -10.688 363 H GLU 16 HN GLU 16 -0.956 -4.959 -5.097 364 HA GLU 16 HA GLU 16 -0.380 -2.416 -6.342 365 1HB GLU 16 HB2 GLU 16 -2.793 -3.067 -4.664 366 2HB GLU 16 HB1 GLU 16 -2.646 -1.861 -5.939 367 1HG GLU 16 HG2 GLU 16 -2.668 -3.497 -7.627 368 2HG GLU 16 HG1 GLU 16 -2.381 -4.802 -6.476 369 H ILE 17 HN ILE 17 -0.661 -3.750 -3.113 370 HA ILE 17 HA ILE 17 -0.664 -1.348 -1.655 371 HB ILE 17 HB ILE 17 0.546 -3.958 -0.738 372 1HG1 ILE 17 HG12 ILE 17 -2.294 -3.214 -0.185 373 2HG1 ILE 17 HG11 ILE 17 -1.901 -3.924 -1.744 374 1HG2 ILE 17 HG21 ILE 17 0.989 -2.667 1.040 375 2HG2 ILE 17 HG22 ILE 17 -0.731 -2.847 1.391 376 3HG2 ILE 17 HG23 ILE 17 -0.150 -1.415 0.540 377 1HD1 ILE 17 HD11 ILE 17 -2.420 -5.249 0.652 378 2HD1 ILE 17 HD12 ILE 17 -0.688 -5.435 0.369 379 3HD1 ILE 17 HD13 ILE 17 -1.842 -5.947 -0.861 380 H ALA 18 HN ALA 18 1.900 -3.271 -3.062 381 HA ALA 18 HA ALA 18 4.021 -1.826 -1.753 382 1HB ALA 18 HB1 ALA 18 3.812 -4.105 -3.611 383 2HB ALA 18 HB2 ALA 18 4.843 -3.880 -2.198 384 3HB ALA 18 HB3 ALA 18 5.281 -3.138 -3.737 385 H ASP 19 HN ASP 19 2.437 -1.794 -4.901 386 HA ASP 19 HA ASP 19 4.197 -0.207 -6.337 387 1HB ASP 19 HB2 ASP 19 1.237 -0.627 -6.441 388 2HB ASP 19 HB1 ASP 19 1.953 0.642 -7.431 389 H LEU 20 HN LEU 20 1.578 0.781 -4.163 390 HA LEU 20 HA LEU 20 1.939 3.568 -4.556 391 1HB LEU 20 HB2 LEU 20 0.797 2.343 -2.068 392 2HB LEU 20 HB1 LEU 20 0.403 3.883 -2.803 393 HG LEU 20 HG LEU 20 -0.411 1.136 -3.716 394 1HD1 LEU 20 HD11 LEU 20 -2.670 2.308 -3.642 395 2HD1 LEU 20 HD12 LEU 20 -1.846 3.588 -2.752 396 3HD1 LEU 20 HD13 LEU 20 -1.894 1.951 -2.098 397 1HD2 LEU 20 HD21 LEU 20 0.120 3.444 -5.350 398 2HD2 LEU 20 HD22 LEU 20 -1.594 3.036 -5.396 399 3HD2 LEU 20 HD23 LEU 20 -0.388 1.825 -5.828 400 H GLN 21 HN GLN 21 2.959 1.363 -1.958 401 HA GLN 21 HA GLN 21 4.238 3.150 -0.301 402 1HB GLN 21 HB2 GLN 21 3.878 0.683 0.092 403 2HB GLN 21 HB1 GLN 21 5.280 0.386 -0.926 404 1HG GLN 21 HG2 GLN 21 6.480 2.003 0.717 405 2HG GLN 21 HG1 GLN 21 5.138 1.609 1.789 406 1HE2 GLN 21 HE21 GLN 21 8.013 0.998 1.972 407 2HE2 GLN 21 HE22 GLN 21 8.112 -0.718 2.137 408 H ALA 22 HN ALA 22 5.361 1.775 -3.322 409 HA ALA 22 HA ALA 22 8.060 2.655 -3.080 410 1HB ALA 22 HB1 ALA 22 6.826 0.907 -4.712 411 2HB ALA 22 HB2 ALA 22 8.401 1.622 -5.058 412 3HB ALA 22 HB3 ALA 22 6.945 2.301 -5.787 413 H LYS 23 HN LYS 23 5.117 4.034 -4.401 414 HA LYS 23 HA LYS 23 6.334 6.209 -5.752 415 1HB LYS 23 HB2 LYS 23 3.547 5.639 -4.794 416 2HB LYS 23 HB1 LYS 23 3.956 7.210 -5.466 417 1HG LYS 23 HG2 LYS 23 4.264 6.384 -7.579 418 2HG LYS 23 HG1 LYS 23 4.665 4.764 -7.004 419 1HD LYS 23 HD2 LYS 23 2.520 4.622 -8.014 420 2HD LYS 23 HD1 LYS 23 2.266 4.551 -6.269 421 1HE LYS 23 HE2 LYS 23 1.184 6.531 -6.214 422 2HE LYS 23 HE1 LYS 23 2.215 7.247 -7.452 423 1HZ LYS 23 HZ1 LYS 23 0.117 7.074 -8.429 424 2HZ LYS 23 HZ2 LYS 23 -0.156 5.519 -7.820 425 3HZ LYS 23 HZ3 LYS 23 0.970 5.756 -9.060 426 H ARG 24 HN ARG 24 5.185 5.731 -2.468 427 HA ARG 24 HA ARG 24 5.358 8.460 -1.677 428 1HB ARG 24 HB2 ARG 24 3.982 6.837 -0.462 429 2HB ARG 24 HB1 ARG 24 5.423 5.937 -0.010 430 1HG ARG 24 HG2 ARG 24 5.867 7.292 1.701 431 2HG ARG 24 HG1 ARG 24 5.557 8.744 0.747 432 1HD ARG 24 HD2 ARG 24 3.048 7.879 1.006 433 2HD ARG 24 HD1 ARG 24 3.730 7.166 2.468 434 HE ARG 24 HE ARG 24 3.152 9.917 2.018 435 1HH1 ARG 24 HH11 ARG 24 5.359 7.767 3.656 436 2HH1 ARG 24 HH12 ARG 24 5.753 8.913 4.894 437 1HH2 ARG 24 HH21 ARG 24 3.669 11.425 3.644 438 2HH2 ARG 24 HH22 ARG 24 4.792 10.990 4.888 439 H THR 25 HN THR 25 7.558 5.696 -1.425 440 HA THR 25 HA THR 25 9.558 6.979 0.083 441 HB THR 25 HB THR 25 10.393 4.943 -1.896 442 HG1 THR 25 HG1 THR 25 8.585 4.344 0.205 443 1HG2 THR 25 HG21 THR 25 10.955 5.611 0.918 444 2HG2 THR 25 HG22 THR 25 12.037 5.069 -0.367 445 3HG2 THR 25 HG23 THR 25 11.015 3.904 0.477 446 H ARG 26 HN ARG 26 9.359 6.400 -3.431 447 HA ARG 26 HA ARG 26 11.686 7.636 -4.223 448 1HB ARG 26 HB2 ARG 26 10.560 8.053 -6.389 449 2HB ARG 26 HB1 ARG 26 10.302 6.420 -5.791 450 1HG ARG 26 HG2 ARG 26 8.078 7.012 -5.043 451 2HG ARG 26 HG1 ARG 26 8.332 8.685 -5.544 452 1HD ARG 26 HD2 ARG 26 7.067 7.640 -7.256 453 2HD ARG 26 HD1 ARG 26 8.708 7.820 -7.872 454 HE ARG 26 HE ARG 26 8.310 5.278 -6.648 455 1HH1 ARG 26 HH11 ARG 26 7.723 7.093 -9.571 456 2HH1 ARG 26 HH12 ARG 26 7.662 5.686 -10.580 457 1HH2 ARG 26 HH21 ARG 26 8.229 3.428 -7.973 458 2HH2 ARG 26 HH22 ARG 26 7.949 3.606 -9.673 459 H LEU 27 HN LEU 27 8.532 9.110 -3.599 460 HA LEU 27 HA LEU 27 9.242 11.736 -4.340 461 1HB LEU 27 HB2 LEU 27 7.054 10.465 -2.807 462 2HB LEU 27 HB1 LEU 27 7.352 12.158 -2.456 463 HG LEU 27 HG LEU 27 5.589 11.748 -4.179 464 1HD1 LEU 27 HD11 LEU 27 8.026 13.391 -4.720 465 2HD1 LEU 27 HD12 LEU 27 6.413 13.906 -4.225 466 3HD1 LEU 27 HD13 LEU 27 6.696 13.360 -5.878 467 1HD2 LEU 27 HD21 LEU 27 7.948 10.633 -5.666 468 2HD2 LEU 27 HD22 LEU 27 6.529 11.266 -6.500 469 3HD2 LEU 27 HD23 LEU 27 6.365 9.901 -5.396 470 H VAL 28 HN VAL 28 9.585 9.908 -1.357 471 HA VAL 28 HA VAL 28 10.319 12.076 0.309 472 HB VAL 28 HB VAL 28 11.196 9.205 0.588 473 1HG1 VAL 28 HG11 VAL 28 11.093 11.539 2.468 474 2HG1 VAL 28 HG12 VAL 28 12.449 10.474 2.098 475 3HG1 VAL 28 HG13 VAL 28 11.096 9.877 3.059 476 1HG2 VAL 28 HG21 VAL 28 8.998 9.897 2.288 477 2HG2 VAL 28 HG22 VAL 28 9.108 8.618 1.078 478 3HG2 VAL 28 HG23 VAL 28 8.573 10.232 0.609 479 H GLN 29 HN GLN 29 12.187 9.785 -1.634 480 HA GLN 29 HA GLN 29 14.756 10.532 -0.918 481 1HB GLN 29 HB2 GLN 29 13.532 9.020 -3.013 482 2HB GLN 29 HB1 GLN 29 14.738 10.078 -3.732 483 1HG GLN 29 HG2 GLN 29 16.121 8.382 -3.253 484 2HG GLN 29 HG1 GLN 29 16.144 9.121 -1.653 485 1HE2 GLN 29 HE21 GLN 29 13.930 6.997 -3.446 486 2HE2 GLN 29 HE22 GLN 29 13.774 5.820 -2.192 487 H GLN 30 HN GLN 30 12.422 12.122 -2.952 488 HA GLN 30 HA GLN 30 14.240 14.018 -4.089 489 1HB GLN 30 HB2 GLN 30 11.872 13.252 -4.908 490 2HB GLN 30 HB1 GLN 30 11.295 14.516 -3.831 491 1HG GLN 30 HG2 GLN 30 11.522 15.864 -5.585 492 2HG GLN 30 HG1 GLN 30 13.247 15.810 -5.227 493 1HE2 GLN 30 HE21 GLN 30 14.435 15.466 -6.948 494 2HE2 GLN 30 HE22 GLN 30 14.011 14.490 -8.309 495 H HIS 31 HN HIS 31 12.278 13.829 -1.199 496 HA HIS 31 HA HIS 31 13.557 16.272 -0.238 497 1HB HIS 31 HB2 HIS 31 11.489 17.242 0.575 498 2HB HIS 31 HB1 HIS 31 11.375 16.980 -1.162 499 HD1 HIS 31 HD1 HIS 31 9.954 14.810 -1.882 500 HD2 HIS 31 HD2 HIS 31 9.490 16.097 2.037 501 HE1 HIS 31 HE1 HIS 31 7.816 13.767 -1.081 502 HE2 HIS 31 HE2 HIS 31 7.665 14.403 1.351 503 HA PRO 32 HA PRO 32 13.271 12.800 2.884 504 1HB PRO 32 HB2 PRO 32 15.917 12.463 3.287 505 2HB PRO 32 HB1 PRO 32 15.054 11.652 1.976 506 1HG PRO 32 HG2 PRO 32 16.747 14.119 1.887 507 2HG PRO 32 HG1 PRO 32 16.702 12.751 0.759 508 1HD PRO 32 HD2 PRO 32 15.433 15.115 0.286 509 2HD PRO 32 HD1 PRO 32 14.853 13.559 -0.341 510 H ARG 33 HN ARG 33 15.467 15.574 2.758 511 HA ARG 33 HA ARG 33 14.673 16.267 5.488 512 1HB ARG 33 HB2 ARG 33 17.547 16.177 4.550 513 2HB ARG 33 HB1 ARG 33 16.996 16.769 6.112 514 1HG ARG 33 HG2 ARG 33 17.145 14.727 6.944 515 2HG ARG 33 HG1 ARG 33 15.962 14.153 5.768 516 1HD ARG 33 HD2 ARG 33 17.596 13.453 4.277 517 2HD ARG 33 HD1 ARG 33 18.824 14.508 4.974 518 HE ARG 33 HE ARG 33 18.169 11.845 5.794 519 1HH1 ARG 33 HH11 ARG 33 19.433 14.910 6.885 520 2HH1 ARG 33 HH12 ARG 33 20.333 14.216 8.191 521 1HH2 ARG 33 HH21 ARG 33 19.353 10.930 7.512 522 2HH2 ARG 33 HH22 ARG 33 20.289 11.956 8.547 Start of MODEL 19 1 H CYS 1 HT1 CYS 1 9.272 27.497 -3.048 2 HA CYS 1 HA CYS 1 8.764 27.320 -5.259 3 1HB CYS 1 HB2 CYS 1 11.255 28.150 -5.725 4 2HB CYS 1 HB1 CYS 1 11.506 26.436 -6.034 5 HG CYS 1 HG CYS 1 9.201 27.695 -7.612 6 H GLY 2 HN GLY 2 9.022 25.523 -2.934 7 1HA GLY 2 HA2 GLY 2 7.928 23.255 -3.480 8 2HA GLY 2 HA1 GLY 2 9.462 22.939 -4.275 9 H GLY 3 HN GLY 3 8.173 23.998 -1.125 10 1HA GLY 3 HA2 GLY 3 10.515 22.998 0.249 11 2HA GLY 3 HA1 GLY 3 9.106 23.742 0.990 12 H ASP 4 HN ASP 4 7.430 22.474 1.707 13 HA ASP 4 HA ASP 4 8.041 19.631 1.933 14 1HB ASP 4 HB2 ASP 4 5.920 21.308 3.277 15 2HB ASP 4 HB1 ASP 4 6.243 19.610 3.619 16 H ASN 5 HN ASN 5 6.754 21.174 -0.450 17 HA ASN 5 HA ASN 5 4.131 20.374 -0.835 18 1HB ASN 5 HB2 ASN 5 6.287 21.372 -2.481 19 2HB ASN 5 HB1 ASN 5 5.378 20.139 -3.351 20 1HD2 ASN 5 HD21 ASN 5 2.854 20.530 -2.376 21 2HD2 ASN 5 HD22 ASN 5 2.278 22.087 -2.858 22 H ILE 6 HN ILE 6 7.071 18.568 -0.960 23 HA ILE 6 HA ILE 6 5.945 16.267 -2.276 24 HB ILE 6 HB ILE 6 8.509 16.402 -0.701 25 1HG1 ILE 6 HG12 ILE 6 8.219 16.905 -3.665 26 2HG1 ILE 6 HG11 ILE 6 8.304 18.202 -2.477 27 1HG2 ILE 6 HG21 ILE 6 9.199 14.537 -2.010 28 2HG2 ILE 6 HG22 ILE 6 7.779 14.669 -3.047 29 3HG2 ILE 6 HG23 ILE 6 7.598 14.178 -1.364 30 1HD1 ILE 6 HD11 ILE 6 10.416 16.628 -3.651 31 2HD1 ILE 6 HD12 ILE 6 10.481 16.598 -1.890 32 3HD1 ILE 6 HD13 ILE 6 10.501 18.139 -2.747 33 H GLU 7 HN GLU 7 6.907 17.179 0.996 34 HA GLU 7 HA GLU 7 6.375 14.778 2.304 35 1HB GLU 7 HB2 GLU 7 7.547 16.776 3.271 36 2HB GLU 7 HB1 GLU 7 5.977 17.547 3.446 37 1HG GLU 7 HG2 GLU 7 5.332 15.481 4.817 38 2HG GLU 7 HG1 GLU 7 7.064 15.157 4.884 39 H GLN 8 HN GLN 8 4.230 17.303 1.215 40 HA GLN 8 HA GLN 8 1.956 16.326 2.687 41 1HB GLN 8 HB2 GLN 8 2.488 18.738 1.703 42 2HB GLN 8 HB1 GLN 8 1.643 18.090 0.304 43 1HG GLN 8 HG2 GLN 8 -0.316 18.445 1.261 44 2HG GLN 8 HG1 GLN 8 0.155 17.499 2.671 45 1HE2 GLN 8 HE21 GLN 8 -0.784 20.486 1.616 46 2HE2 GLN 8 HE22 GLN 8 -0.251 21.439 2.955 47 H LYS 9 HN LYS 9 3.210 16.108 -0.590 48 HA LYS 9 HA LYS 9 1.022 14.812 -1.774 49 1HB LYS 9 HB2 LYS 9 3.902 15.146 -2.422 50 2HB LYS 9 HB1 LYS 9 3.043 13.854 -3.247 51 1HG LYS 9 HG2 LYS 9 1.346 15.551 -3.954 52 2HG LYS 9 HG1 LYS 9 2.412 16.793 -3.295 53 1HD LYS 9 HD2 LYS 9 3.704 14.878 -5.116 54 2HD LYS 9 HD1 LYS 9 2.481 15.910 -5.861 55 1HE LYS 9 HE2 LYS 9 3.683 17.848 -4.689 56 2HE LYS 9 HE1 LYS 9 5.005 16.708 -4.446 57 1HZ LYS 9 HZ1 LYS 9 4.993 16.348 -6.888 58 2HZ LYS 9 HZ2 LYS 9 5.418 17.921 -6.433 59 3HZ LYS 9 HZ3 LYS 9 3.870 17.606 -7.036 60 H ILE 10 HN ILE 10 3.774 13.589 0.051 61 HA ILE 10 HA ILE 10 3.259 10.845 -0.508 62 HB ILE 10 HB ILE 10 4.693 10.405 1.507 63 1HG1 ILE 10 HG12 ILE 10 5.205 13.382 1.420 64 2HG1 ILE 10 HG11 ILE 10 4.179 12.600 2.619 65 1HG2 ILE 10 HG21 ILE 10 5.737 10.296 -0.587 66 2HG2 ILE 10 HG22 ILE 10 6.769 11.353 0.376 67 3HG2 ILE 10 HG23 ILE 10 5.662 12.044 -0.811 68 1HD1 ILE 10 HD11 ILE 10 7.098 12.029 2.191 69 2HD1 ILE 10 HD12 ILE 10 6.061 11.313 3.425 70 3HD1 ILE 10 HD13 ILE 10 6.420 13.039 3.469 71 H ASP 11 HN ASP 11 2.421 12.996 2.192 72 HA ASP 11 HA ASP 11 1.306 11.188 3.945 73 1HB ASP 11 HB2 ASP 11 1.474 13.883 3.897 74 2HB ASP 11 HB1 ASP 11 -0.239 13.687 3.535 75 H ASP 12 HN ASP 12 0.040 12.472 0.963 76 HA ASP 12 HA ASP 12 -2.617 11.494 1.244 77 1HB ASP 12 HB2 ASP 12 -0.959 12.614 -0.951 78 2HB ASP 12 HB1 ASP 12 -2.317 11.603 -1.435 79 H ILE 13 HN ILE 13 0.295 10.272 -0.349 80 HA ILE 13 HA ILE 13 -0.811 7.890 -1.349 81 HB ILE 13 HB ILE 13 2.049 8.314 -0.471 82 1HG1 ILE 13 HG12 ILE 13 0.726 8.920 -3.126 83 2HG1 ILE 13 HG11 ILE 13 1.354 10.107 -1.987 84 1HG2 ILE 13 HG21 ILE 13 0.808 6.022 -1.350 85 2HG2 ILE 13 HG22 ILE 13 2.540 6.346 -1.406 86 3HG2 ILE 13 HG23 ILE 13 1.537 6.669 -2.820 87 1HD1 ILE 13 HD11 ILE 13 2.846 8.215 -3.751 88 2HD1 ILE 13 HD12 ILE 13 3.603 8.906 -2.316 89 3HD1 ILE 13 HD13 ILE 13 3.008 9.965 -3.595 90 H ASP 14 HN ASP 14 0.938 8.571 1.674 91 HA ASP 14 HA ASP 14 1.063 6.067 2.783 92 1HB ASP 14 HB2 ASP 14 1.657 8.552 3.669 93 2HB ASP 14 HB1 ASP 14 0.232 8.214 4.645 94 H HIS 15 HN HIS 15 -1.724 8.156 2.469 95 HA HIS 15 HA HIS 15 -3.402 6.620 4.216 96 1HB HIS 15 HB2 HIS 15 -3.576 9.134 3.310 97 2HB HIS 15 HB1 HIS 15 -4.584 8.347 2.101 98 HD1 HIS 15 HD1 HIS 15 -5.340 6.304 4.746 99 HD2 HIS 15 HD2 HIS 15 -6.165 10.314 4.033 100 HE1 HIS 15 HE1 HIS 15 -7.317 6.852 6.199 101 HE2 HIS 15 HE2 HIS 15 -7.740 9.307 5.821 102 H GLU 16 HN GLU 16 -2.568 6.600 0.841 103 HA GLU 16 HA GLU 16 -4.728 4.826 0.115 104 1HB GLU 16 HB2 GLU 16 -2.333 5.489 -1.583 105 2HB GLU 16 HB1 GLU 16 -3.938 4.999 -2.110 106 1HG GLU 16 HG2 GLU 16 -3.606 7.537 -0.583 107 2HG GLU 16 HG1 GLU 16 -3.180 7.485 -2.293 108 H ILE 17 HN ILE 17 -1.323 4.628 0.868 109 HA ILE 17 HA ILE 17 -0.838 2.008 -0.056 110 HB ILE 17 HB ILE 17 0.530 3.361 2.272 111 1HG1 ILE 17 HG12 ILE 17 1.593 3.467 -0.518 112 2HG1 ILE 17 HG11 ILE 17 0.333 4.603 -0.053 113 1HG2 ILE 17 HG21 ILE 17 0.826 0.815 1.293 114 2HG2 ILE 17 HG22 ILE 17 2.029 1.705 2.225 115 3HG2 ILE 17 HG23 ILE 17 2.104 1.703 0.463 116 1HD1 ILE 17 HD11 ILE 17 1.902 5.907 0.792 117 2HD1 ILE 17 HD12 ILE 17 3.136 4.688 0.473 118 3HD1 ILE 17 HD13 ILE 17 2.246 4.665 1.996 119 H ALA 18 HN ALA 18 -2.130 3.306 2.931 120 HA ALA 18 HA ALA 18 -2.074 0.797 4.334 121 1HB ALA 18 HB1 ALA 18 -3.771 2.316 5.787 122 2HB ALA 18 HB2 ALA 18 -2.872 3.566 4.925 123 3HB ALA 18 HB3 ALA 18 -2.014 2.391 5.922 124 H ASP 19 HN ASP 19 -4.454 2.669 2.533 125 HA ASP 19 HA ASP 19 -6.783 1.348 3.253 126 1HB ASP 19 HB2 ASP 19 -5.886 2.935 0.930 127 2HB ASP 19 HB1 ASP 19 -7.249 1.865 0.623 128 H LEU 20 HN LEU 20 -4.442 0.513 0.725 129 HA LEU 20 HA LEU 20 -5.844 -1.757 -0.222 130 1HB LEU 20 HB2 LEU 20 -2.866 -1.424 -0.379 131 2HB LEU 20 HB1 LEU 20 -3.931 -2.246 -1.503 132 HG LEU 20 HG LEU 20 -3.574 0.716 -1.127 133 1HD1 LEU 20 HD11 LEU 20 -3.160 0.564 -3.594 134 2HD1 LEU 20 HD12 LEU 20 -3.180 -1.190 -3.420 135 3HD1 LEU 20 HD13 LEU 20 -1.957 -0.235 -2.582 136 1HD2 LEU 20 HD21 LEU 20 -5.642 -0.623 -2.861 137 2HD2 LEU 20 HD22 LEU 20 -5.382 1.109 -2.648 138 3HD2 LEU 20 HD23 LEU 20 -5.990 0.136 -1.308 139 H GLN 21 HN GLN 21 -3.063 -1.433 1.973 140 HA GLN 21 HA GLN 21 -2.623 -4.103 2.525 141 1HB GLN 21 HB2 GLN 21 -1.392 -1.928 3.323 142 2HB GLN 21 HB1 GLN 21 -2.435 -2.085 4.730 143 1HG GLN 21 HG2 GLN 21 -0.908 -4.473 3.851 144 2HG GLN 21 HG1 GLN 21 -0.032 -3.164 4.644 145 1HE2 GLN 21 HE21 GLN 21 -0.646 -5.923 5.507 146 2HE2 GLN 21 HE22 GLN 21 -1.434 -5.760 7.035 147 H ALA 22 HN ALA 22 -5.135 -1.991 3.717 148 HA ALA 22 HA ALA 22 -5.992 -3.702 5.839 149 1HB ALA 22 HB1 ALA 22 -6.690 -1.569 6.246 150 2HB ALA 22 HB2 ALA 22 -8.147 -2.209 5.485 151 3HB ALA 22 HB3 ALA 22 -7.018 -1.233 4.546 152 H LYS 23 HN LYS 23 -6.798 -3.339 2.449 153 HA LYS 23 HA LYS 23 -9.158 -4.919 2.497 154 1HB LYS 23 HB2 LYS 23 -7.307 -3.981 0.330 155 2HB LYS 23 HB1 LYS 23 -8.586 -5.131 -0.030 156 1HG LYS 23 HG2 LYS 23 -10.153 -3.552 -0.005 157 2HG LYS 23 HG1 LYS 23 -9.543 -2.853 1.496 158 1HD LYS 23 HD2 LYS 23 -7.737 -1.761 0.160 159 2HD LYS 23 HD1 LYS 23 -8.539 -2.337 -1.301 160 1HE LYS 23 HE2 LYS 23 -10.302 -0.930 0.567 161 2HE LYS 23 HE1 LYS 23 -9.001 0.065 -0.084 162 1HZ LYS 23 HZ1 LYS 23 -9.757 -0.927 -2.327 163 2HZ LYS 23 HZ2 LYS 23 -10.662 0.325 -1.637 164 3HZ LYS 23 HZ3 LYS 23 -11.199 -1.275 -1.513 165 H ARG 24 HN ARG 24 -5.748 -5.651 2.153 166 HA ARG 24 HA ARG 24 -6.090 -8.319 1.217 167 1HB ARG 24 HB2 ARG 24 -3.890 -6.580 1.965 168 2HB ARG 24 HB1 ARG 24 -3.638 -8.218 2.550 169 1HG ARG 24 HG2 ARG 24 -4.333 -8.853 0.096 170 2HG ARG 24 HG1 ARG 24 -3.806 -7.202 -0.233 171 1HD ARG 24 HD2 ARG 24 -1.688 -7.854 -0.205 172 2HD ARG 24 HD1 ARG 24 -1.876 -8.440 1.446 173 HE ARG 24 HE ARG 24 -2.783 -10.202 -0.682 174 1HH1 ARG 24 HH11 ARG 24 -0.254 -9.382 1.586 175 2HH1 ARG 24 HH12 ARG 24 0.488 -10.943 1.509 176 1HH2 ARG 24 HH21 ARG 24 -1.804 -12.252 -0.779 177 2HH2 ARG 24 HH22 ARG 24 -0.390 -12.571 0.168 178 H THR 25 HN THR 25 -5.517 -6.910 4.423 179 HA THR 25 HA THR 25 -5.325 -9.316 5.850 180 HB THR 25 HB THR 25 -6.596 -7.043 7.238 181 HG1 THR 25 HG1 THR 25 -4.666 -5.814 7.121 182 1HG2 THR 25 HG21 THR 25 -5.692 -8.706 8.630 183 2HG2 THR 25 HG22 THR 25 -4.577 -7.343 8.711 184 3HG2 THR 25 HG23 THR 25 -4.178 -8.750 7.725 185 H ARG 26 HN ARG 26 -8.133 -7.146 5.466 186 HA ARG 26 HA ARG 26 -10.000 -8.622 6.857 187 1HB ARG 26 HB2 ARG 26 -11.707 -7.487 5.567 188 2HB ARG 26 HB1 ARG 26 -10.401 -6.365 5.924 189 1HG ARG 26 HG2 ARG 26 -9.540 -6.591 3.680 190 2HG ARG 26 HG1 ARG 26 -10.760 -7.810 3.307 191 1HD ARG 26 HD2 ARG 26 -11.640 -5.141 4.294 192 2HD ARG 26 HD1 ARG 26 -11.102 -5.295 2.623 193 HE ARG 26 HE ARG 26 -12.989 -7.312 3.270 194 1HH1 ARG 26 HH11 ARG 26 -12.736 -3.911 2.527 195 2HH1 ARG 26 HH12 ARG 26 -14.339 -3.805 1.883 196 1HH2 ARG 26 HH21 ARG 26 -15.097 -7.174 2.422 197 2HH2 ARG 26 HH22 ARG 26 -15.680 -5.657 1.823 198 H LEU 27 HN LEU 27 -8.990 -8.966 3.487 199 HA LEU 27 HA LEU 27 -10.815 -10.996 2.791 200 1HB LEU 27 HB2 LEU 27 -8.243 -9.983 1.686 201 2HB LEU 27 HB1 LEU 27 -8.800 -11.554 1.142 202 HG LEU 27 HG LEU 27 -10.686 -9.240 1.036 203 1HD1 LEU 27 HD11 LEU 27 -8.958 -8.176 -0.067 204 2HD1 LEU 27 HD12 LEU 27 -9.791 -8.997 -1.386 205 3HD1 LEU 27 HD13 LEU 27 -8.309 -9.679 -0.719 206 1HD2 LEU 27 HD21 LEU 27 -11.096 -11.785 0.491 207 2HD2 LEU 27 HD22 LEU 27 -10.374 -11.332 -1.054 208 3HD2 LEU 27 HD23 LEU 27 -11.826 -10.510 -0.485 209 H VAL 28 HN VAL 28 -7.649 -11.034 4.321 210 HA VAL 28 HA VAL 28 -7.232 -13.835 4.190 211 HB VAL 28 HB VAL 28 -6.191 -11.956 6.306 212 1HG1 VAL 28 HG11 VAL 28 -4.771 -13.585 6.960 213 2HG1 VAL 28 HG12 VAL 28 -4.586 -14.227 5.328 214 3HG1 VAL 28 HG13 VAL 28 -6.013 -14.637 6.280 215 1HG2 VAL 28 HG21 VAL 28 -5.684 -11.971 3.492 216 2HG2 VAL 28 HG22 VAL 28 -4.220 -12.453 4.350 217 3HG2 VAL 28 HG23 VAL 28 -5.005 -10.922 4.736 218 H GLN 29 HN GLN 29 -8.652 -11.706 6.633 219 HA GLN 29 HA GLN 29 -9.115 -13.526 8.664 220 1HB GLN 29 HB2 GLN 29 -10.322 -10.971 7.806 221 2HB GLN 29 HB1 GLN 29 -11.355 -11.982 8.808 222 1HG GLN 29 HG2 GLN 29 -10.034 -11.759 10.647 223 2HG GLN 29 HG1 GLN 29 -8.562 -11.542 9.701 224 1HE2 GLN 29 HE21 GLN 29 -7.922 -9.522 9.132 225 2HE2 GLN 29 HE22 GLN 29 -8.722 -8.079 9.643 226 H GLN 30 HN GLN 30 -10.725 -13.111 5.610 227 HA GLN 30 HA GLN 30 -12.991 -14.751 6.245 228 1HB GLN 30 HB2 GLN 30 -11.890 -13.503 3.759 229 2HB GLN 30 HB1 GLN 30 -13.098 -14.772 3.616 230 1HG GLN 30 HG2 GLN 30 -13.593 -12.447 5.417 231 2HG GLN 30 HG1 GLN 30 -13.824 -12.284 3.677 232 1HE2 GLN 30 HE21 GLN 30 -14.836 -14.041 6.539 233 2HE2 GLN 30 HE22 GLN 30 -16.373 -14.535 5.925 234 H HIS 31 HN HIS 31 -9.795 -15.244 4.894 235 HA HIS 31 HA HIS 31 -10.263 -18.133 5.028 236 1HB HIS 31 HB2 HIS 31 -9.202 -18.550 2.895 237 2HB HIS 31 HB1 HIS 31 -10.559 -17.453 2.663 238 HD1 HIS 31 HD1 HIS 31 -9.861 -14.856 2.411 239 HD2 HIS 31 HD2 HIS 31 -6.831 -17.645 1.898 240 HE1 HIS 31 HE1 HIS 31 -8.039 -13.650 1.177 241 HE2 HIS 31 HE2 HIS 31 -6.140 -15.300 1.070 242 HA PRO 32 HA PRO 32 -6.162 -16.766 6.808 243 1HB PRO 32 HB2 PRO 32 -6.632 -17.200 9.409 244 2HB PRO 32 HB1 PRO 32 -7.141 -15.704 8.617 245 1HG PRO 32 HG2 PRO 32 -8.757 -18.120 9.321 246 2HG PRO 32 HG1 PRO 32 -9.182 -16.406 9.474 247 1HD PRO 32 HD2 PRO 32 -9.999 -18.029 7.406 248 2HD PRO 32 HD1 PRO 32 -9.864 -16.263 7.297 249 H ARG 33 HN ARG 33 -8.257 -19.506 7.492 250 HA ARG 33 HA ARG 33 -5.874 -21.233 7.586 251 1HB ARG 33 HB2 ARG 33 -7.094 -22.700 9.166 252 2HB ARG 33 HB1 ARG 33 -6.778 -21.102 9.827 253 1HG ARG 33 HG2 ARG 33 -9.221 -20.700 8.773 254 2HG ARG 33 HG1 ARG 33 -9.329 -22.414 9.180 255 1HD ARG 33 HD2 ARG 33 -8.311 -21.630 11.457 256 2HD ARG 33 HD1 ARG 33 -8.935 -20.055 10.968 257 HE ARG 33 HE ARG 33 -11.006 -21.861 10.641 258 1HH1 ARG 33 HH11 ARG 33 -9.045 -20.658 13.265 259 2HH1 ARG 33 HH12 ARG 33 -10.284 -20.875 14.456 260 1HH2 ARG 33 HH21 ARG 33 -12.637 -22.147 12.206 261 2HH2 ARG 33 HH22 ARG 33 -12.323 -21.720 13.855 262 H CYS 1 HN CYS 1 -4.000 -23.922 2.282 263 HA CYS 1 HA CYS 1 -4.928 -22.241 3.838 264 1HB CYS 1 HB2 CYS 1 -2.438 -21.714 4.460 265 2HB CYS 1 HB1 CYS 1 -2.561 -20.533 3.161 266 HG CYS 1 HG CYS 1 -4.792 -20.195 5.175 267 H GLY 2 HN GLY 2 -6.556 -21.576 2.606 268 1HA GLY 2 HA2 GLY 2 -7.715 -20.421 0.990 269 2HA GLY 2 HA1 GLY 2 -6.238 -19.525 0.673 270 H GLY 3 HN GLY 3 -5.161 -19.906 -1.179 271 1HA GLY 3 HA2 GLY 3 -4.851 -20.686 -3.326 272 2HA GLY 3 HA1 GLY 3 -4.804 -22.258 -2.542 273 H ASP 4 HN ASP 4 -7.490 -19.976 -2.948 274 HA ASP 4 HA ASP 4 -8.876 -22.002 -4.566 275 1HB ASP 4 HB2 ASP 4 -9.895 -20.438 -2.198 276 2HB ASP 4 HB1 ASP 4 -10.989 -21.178 -3.368 277 H ASN 5 HN ASN 5 -10.068 -18.914 -3.419 278 HA ASN 5 HA ASN 5 -9.763 -17.713 -6.064 279 1HB ASN 5 HB2 ASN 5 -12.291 -18.553 -4.842 280 2HB ASN 5 HB1 ASN 5 -12.281 -16.853 -5.304 281 1HD2 ASN 5 HD21 ASN 5 -11.250 -16.512 -7.552 282 2HD2 ASN 5 HD22 ASN 5 -11.825 -17.570 -8.790 283 H ILE 6 HN ILE 6 -10.772 -17.343 -2.700 284 HA ILE 6 HA ILE 6 -10.606 -14.532 -2.567 285 HB ILE 6 HB ILE 6 -9.959 -16.306 -0.230 286 1HG1 ILE 6 HG12 ILE 6 -12.660 -15.864 -1.511 287 2HG1 ILE 6 HG11 ILE 6 -11.879 -17.396 -1.135 288 1HG2 ILE 6 HG21 ILE 6 -9.790 -13.896 0.040 289 2HG2 ILE 6 HG22 ILE 6 -11.084 -14.571 1.033 290 3HG2 ILE 6 HG23 ILE 6 -11.472 -13.717 -0.461 291 1HD1 ILE 6 HD11 ILE 6 -13.636 -15.806 0.472 292 2HD1 ILE 6 HD12 ILE 6 -12.100 -16.052 1.301 293 3HD1 ILE 6 HD13 ILE 6 -13.033 -17.441 0.746 294 H GLU 7 HN GLU 7 -8.332 -17.101 -1.728 295 HA GLU 7 HA GLU 7 -6.209 -15.540 -0.842 296 1HB GLU 7 HB2 GLU 7 -6.610 -18.193 -1.087 297 2HB GLU 7 HB1 GLU 7 -5.516 -17.936 -2.439 298 1HG GLU 7 HG2 GLU 7 -4.454 -16.539 -0.230 299 2HG GLU 7 HG1 GLU 7 -4.920 -18.140 0.336 300 H GLN 8 HN GLN 8 -7.289 -16.209 -4.089 301 HA GLN 8 HA GLN 8 -4.896 -15.212 -5.340 302 1HB GLN 8 HB2 GLN 8 -6.537 -16.918 -6.320 303 2HB GLN 8 HB1 GLN 8 -7.582 -15.547 -6.662 304 1HG GLN 8 HG2 GLN 8 -6.139 -14.670 -8.242 305 2HG GLN 8 HG1 GLN 8 -4.750 -15.554 -7.609 306 1HE2 GLN 8 HE21 GLN 8 -4.246 -17.475 -8.464 307 2HE2 GLN 8 HE22 GLN 8 -5.175 -18.297 -9.666 308 H LYS 9 HN LYS 9 -8.061 -13.980 -4.474 309 HA LYS 9 HA LYS 9 -7.980 -11.570 -5.908 310 1HB LYS 9 HB2 LYS 9 -9.837 -12.792 -4.363 311 2HB LYS 9 HB1 LYS 9 -9.306 -11.525 -3.266 312 1HG LYS 9 HG2 LYS 9 -9.662 -10.239 -5.705 313 2HG LYS 9 HG1 LYS 9 -11.016 -11.363 -5.584 314 1HD LYS 9 HD2 LYS 9 -10.408 -9.871 -3.123 315 2HD LYS 9 HD1 LYS 9 -10.970 -8.886 -4.475 316 1HE LYS 9 HE2 LYS 9 -12.870 -10.540 -4.714 317 2HE LYS 9 HE1 LYS 9 -12.366 -11.206 -3.162 318 1HZ LYS 9 HZ1 LYS 9 -13.981 -9.682 -2.583 319 2HZ LYS 9 HZ2 LYS 9 -13.509 -8.555 -3.752 320 3HZ LYS 9 HZ3 LYS 9 -12.563 -8.782 -2.368 321 H ILE 10 HN ILE 10 -6.737 -12.461 -2.734 322 HA ILE 10 HA ILE 10 -6.008 -9.811 -1.982 323 HB ILE 10 HB ILE 10 -4.519 -10.952 -0.313 324 1HG1 ILE 10 HG12 ILE 10 -5.904 -13.470 -1.241 325 2HG1 ILE 10 HG11 ILE 10 -4.248 -13.051 -1.669 326 1HG2 ILE 10 HG21 ILE 10 -7.456 -11.577 -0.421 327 2HG2 ILE 10 HG22 ILE 10 -6.664 -10.217 0.377 328 3HG2 ILE 10 HG23 ILE 10 -6.459 -11.851 1.008 329 1HD1 ILE 10 HD11 ILE 10 -3.639 -13.059 0.692 330 2HD1 ILE 10 HD12 ILE 10 -4.300 -14.610 0.179 331 3HD1 ILE 10 HD13 ILE 10 -5.294 -13.494 1.113 332 H ASP 11 HN ASP 11 -4.235 -12.523 -3.445 333 HA ASP 11 HA ASP 11 -1.668 -11.513 -3.401 334 1HB ASP 11 HB2 ASP 11 -2.476 -13.762 -4.314 335 2HB ASP 11 HB1 ASP 11 -2.822 -12.911 -5.816 336 H ASP 12 HN ASP 12 -4.366 -10.663 -5.438 337 HA ASP 12 HA ASP 12 -2.929 -9.068 -7.302 338 1HB ASP 12 HB2 ASP 12 -5.375 -10.004 -7.412 339 2HB ASP 12 HB1 ASP 12 -5.788 -8.514 -6.569 340 H ILE 13 HN ILE 13 -4.756 -8.354 -4.361 341 HA ILE 13 HA ILE 13 -4.364 -5.578 -4.333 342 HB ILE 13 HB ILE 13 -4.607 -7.376 -1.918 343 1HG1 ILE 13 HG12 ILE 13 -6.734 -6.185 -3.703 344 2HG1 ILE 13 HG11 ILE 13 -6.420 -7.892 -3.416 345 1HG2 ILE 13 HG21 ILE 13 -4.137 -4.666 -2.057 346 2HG2 ILE 13 HG22 ILE 13 -4.808 -5.531 -0.674 347 3HG2 ILE 13 HG23 ILE 13 -5.885 -4.762 -1.840 348 1HD1 ILE 13 HD11 ILE 13 -8.268 -7.500 -2.108 349 2HD1 ILE 13 HD12 ILE 13 -7.729 -5.887 -1.642 350 3HD1 ILE 13 HD13 ILE 13 -6.953 -7.310 -0.948 351 H ASP 14 HN ASP 14 -2.494 -8.219 -2.850 352 HA ASP 14 HA ASP 14 -0.597 -6.801 -1.462 353 1HB ASP 14 HB2 ASP 14 -0.946 -9.417 -2.002 354 2HB ASP 14 HB1 ASP 14 0.429 -9.086 -3.052 355 H HIS 15 HN HIS 15 -0.856 -7.267 -4.922 356 HA HIS 15 HA HIS 15 1.750 -6.231 -5.519 357 1HB HIS 15 HB2 HIS 15 0.285 -7.783 -6.971 358 2HB HIS 15 HB1 HIS 15 -0.564 -6.315 -7.444 359 HD1 HIS 15 HD1 HIS 15 2.892 -5.475 -6.993 360 HD2 HIS 15 HD2 HIS 15 0.658 -7.251 -10.013 361 HE1 HIS 15 HE1 HIS 15 4.294 -5.277 -9.071 362 HE2 HIS 15 HE2 HIS 15 2.959 -6.437 -10.867 363 H GLU 16 HN GLU 16 -1.437 -4.929 -5.044 364 HA GLU 16 HA GLU 16 -0.762 -2.353 -6.168 365 1HB GLU 16 HB2 GLU 16 -3.204 -2.975 -4.524 366 2HB GLU 16 HB1 GLU 16 -3.004 -1.732 -5.753 367 1HG GLU 16 HG2 GLU 16 -3.098 -3.294 -7.502 368 2HG GLU 16 HG1 GLU 16 -2.852 -4.654 -6.408 369 H ILE 17 HN ILE 17 -1.026 -3.849 -3.020 370 HA ILE 17 HA ILE 17 -0.968 -1.516 -1.438 371 HB ILE 17 HB ILE 17 0.150 -4.215 -0.673 372 1HG1 ILE 17 HG12 ILE 17 -2.645 -3.377 -0.038 373 2HG1 ILE 17 HG11 ILE 17 -2.304 -4.024 -1.637 374 1HG2 ILE 17 HG21 ILE 17 0.669 -3.049 1.170 375 2HG2 ILE 17 HG22 ILE 17 -1.054 -3.159 1.531 376 3HG2 ILE 17 HG23 ILE 17 -0.406 -1.717 0.748 377 1HD1 ILE 17 HD11 ILE 17 -1.135 -5.694 0.375 378 2HD1 ILE 17 HD12 ILE 17 -2.334 -6.088 -0.855 379 3HD1 ILE 17 HD13 ILE 17 -2.849 -5.441 0.703 380 H ALA 18 HN ALA 18 1.521 -3.462 -2.945 381 HA ALA 18 HA ALA 18 3.702 -2.163 -1.590 382 1HB ALA 18 HB1 ALA 18 3.381 -4.348 -3.531 383 2HB ALA 18 HB2 ALA 18 4.474 -4.200 -2.154 384 3HB ALA 18 HB3 ALA 18 4.872 -3.418 -3.684 385 H ASP 19 HN ASP 19 2.101 -1.901 -4.720 386 HA ASP 19 HA ASP 19 3.915 -0.306 -6.079 387 1HB ASP 19 HB2 ASP 19 0.976 -0.725 -6.217 388 2HB ASP 19 HB1 ASP 19 1.620 0.693 -7.039 389 H LEU 20 HN LEU 20 1.333 0.663 -3.851 390 HA LEU 20 HA LEU 20 1.776 3.450 -4.106 391 1HB LEU 20 HB2 LEU 20 0.632 2.143 -1.661 392 2HB LEU 20 HB1 LEU 20 0.271 3.726 -2.322 393 HG LEU 20 HG LEU 20 -0.676 1.042 -3.266 394 1HD1 LEU 20 HD11 LEU 20 -2.199 1.909 -1.770 395 2HD1 LEU 20 HD12 LEU 20 -2.833 2.486 -3.312 396 3HD1 LEU 20 HD13 LEU 20 -1.909 3.573 -2.275 397 1HD2 LEU 20 HD21 LEU 20 -1.741 2.812 -5.058 398 2HD2 LEU 20 HD22 LEU 20 -0.396 1.718 -5.381 399 3HD2 LEU 20 HD23 LEU 20 -0.081 3.387 -4.905 400 H GLN 21 HN GLN 21 2.742 1.114 -1.600 401 HA GLN 21 HA GLN 21 4.102 2.790 0.106 402 1HB GLN 21 HB2 GLN 21 3.694 0.143 0.051 403 2HB GLN 21 HB1 GLN 21 5.375 0.167 -0.463 404 1HG GLN 21 HG2 GLN 21 6.055 1.253 1.541 405 2HG GLN 21 HG1 GLN 21 4.383 1.539 2.020 406 1HE2 GLN 21 HE21 GLN 21 3.354 0.040 3.188 407 2HE2 GLN 21 HE22 GLN 21 3.996 -1.511 3.595 408 H ALA 22 HN ALA 22 5.123 1.563 -3.004 409 HA ALA 22 HA ALA 22 7.867 2.304 -2.740 410 1HB ALA 22 HB1 ALA 22 6.717 2.136 -5.449 411 2HB ALA 22 HB2 ALA 22 6.546 0.694 -4.447 412 3HB ALA 22 HB3 ALA 22 8.147 1.360 -4.771 413 H LYS 23 HN LYS 23 4.980 3.856 -4.012 414 HA LYS 23 HA LYS 23 6.299 6.055 -5.225 415 1HB LYS 23 HB2 LYS 23 3.472 5.548 -4.344 416 2HB LYS 23 HB1 LYS 23 3.957 7.119 -4.966 417 1HG LYS 23 HG2 LYS 23 4.105 6.385 -7.089 418 2HG LYS 23 HG1 LYS 23 4.724 4.804 -6.614 419 1HD LYS 23 HD2 LYS 23 2.666 4.149 -7.314 420 2HD LYS 23 HD1 LYS 23 2.242 4.582 -5.656 421 1HE LYS 23 HE2 LYS 23 0.658 5.834 -6.648 422 2HE LYS 23 HE1 LYS 23 1.979 6.979 -6.879 423 1HZ LYS 23 HZ1 LYS 23 0.449 6.092 -8.858 424 2HZ LYS 23 HZ2 LYS 23 1.687 4.942 -8.930 425 3HZ LYS 23 HZ3 LYS 23 2.052 6.587 -9.080 426 H ARG 24 HN ARG 24 5.189 5.393 -1.979 427 HA ARG 24 HA ARG 24 5.364 8.086 -1.042 428 1HB ARG 24 HB2 ARG 24 3.945 6.473 0.095 429 2HB ARG 24 HB1 ARG 24 5.335 5.458 0.451 430 1HG ARG 24 HG2 ARG 24 5.833 6.619 2.280 431 2HG ARG 24 HG1 ARG 24 5.691 8.160 1.433 432 1HD ARG 24 HD2 ARG 24 3.101 7.531 1.600 433 2HD ARG 24 HD1 ARG 24 3.686 6.664 3.019 434 HE ARG 24 HE ARG 24 3.345 9.465 2.769 435 1HH1 ARG 24 HH11 ARG 24 5.451 7.072 4.188 436 2HH1 ARG 24 HH12 ARG 24 5.968 8.108 5.475 437 1HH2 ARG 24 HH21 ARG 24 4.023 10.830 4.460 438 2HH2 ARG 24 HH22 ARG 24 5.157 10.242 5.630 439 H THR 25 HN THR 25 7.514 5.275 -0.936 440 HA THR 25 HA THR 25 9.529 6.456 0.648 441 HB THR 25 HB THR 25 10.345 4.468 -1.381 442 HG1 THR 25 HG1 THR 25 8.709 3.224 -1.030 443 1HG2 THR 25 HG21 THR 25 10.561 4.464 1.617 444 2HG2 THR 25 HG22 THR 25 11.799 5.040 0.502 445 3HG2 THR 25 HG23 THR 25 11.337 3.339 0.503 446 H ARG 26 HN ARG 26 9.429 5.924 -2.884 447 HA ARG 26 HA ARG 26 11.771 7.171 -3.588 448 1HB ARG 26 HB2 ARG 26 10.706 7.650 -5.777 449 2HB ARG 26 HB1 ARG 26 10.432 6.002 -5.227 450 1HG ARG 26 HG2 ARG 26 8.310 6.421 -5.796 451 2HG ARG 26 HG1 ARG 26 8.242 7.231 -4.231 452 1HD ARG 26 HD2 ARG 26 8.470 9.349 -5.185 453 2HD ARG 26 HD1 ARG 26 9.100 8.701 -6.699 454 HE ARG 26 HE ARG 26 6.338 9.018 -5.960 455 1HH1 ARG 26 HH11 ARG 26 8.577 7.293 -8.006 456 2HH1 ARG 26 HH12 ARG 26 7.384 6.906 -9.200 457 1HH2 ARG 26 HH21 ARG 26 4.767 8.510 -7.528 458 2HH2 ARG 26 HH22 ARG 26 5.220 7.596 -8.928 459 H LEU 27 HN LEU 27 8.641 8.641 -2.901 460 HA LEU 27 HA LEU 27 9.351 11.286 -3.607 461 1HB LEU 27 HB2 LEU 27 7.214 10.055 -1.914 462 2HB LEU 27 HB1 LEU 27 7.463 11.791 -1.849 463 HG LEU 27 HG LEU 27 6.890 10.266 -4.389 464 1HD1 LEU 27 HD11 LEU 27 4.637 10.934 -4.230 465 2HD1 LEU 27 HD12 LEU 27 4.967 12.000 -2.864 466 3HD1 LEU 27 HD13 LEU 27 5.044 10.250 -2.656 467 1HD2 LEU 27 HD21 LEU 27 6.343 13.145 -4.164 468 2HD2 LEU 27 HD22 LEU 27 7.033 12.219 -5.496 469 3HD2 LEU 27 HD23 LEU 27 8.048 12.698 -4.136 470 H VAL 28 HN VAL 28 9.593 9.415 -0.628 471 HA VAL 28 HA VAL 28 10.391 11.513 1.075 472 HB VAL 28 HB VAL 28 11.225 8.622 1.276 473 1HG1 VAL 28 HG11 VAL 28 12.440 9.520 2.951 474 2HG1 VAL 28 HG12 VAL 28 10.901 9.472 3.812 475 3HG1 VAL 28 HG13 VAL 28 11.436 10.967 3.045 476 1HG2 VAL 28 HG21 VAL 28 9.125 8.056 1.735 477 2HG2 VAL 28 HG22 VAL 28 8.616 9.695 1.330 478 3HG2 VAL 28 HG23 VAL 28 9.037 9.288 2.993 479 H GLN 29 HN GLN 29 12.231 9.224 -0.898 480 HA GLN 29 HA GLN 29 14.810 9.930 -0.176 481 1HB GLN 29 HB2 GLN 29 13.536 8.688 -2.524 482 2HB GLN 29 HB1 GLN 29 15.074 9.470 -2.863 483 1HG GLN 29 HG2 GLN 29 15.300 7.081 -2.337 484 2HG GLN 29 HG1 GLN 29 16.186 8.118 -1.220 485 1HE2 GLN 29 HE21 GLN 29 16.152 7.204 0.703 486 2HE2 GLN 29 HE22 GLN 29 14.767 6.527 1.483 487 H GLN 30 HN GLN 30 12.495 11.569 -2.195 488 HA GLN 30 HA GLN 30 14.301 13.443 -3.349 489 1HB GLN 30 HB2 GLN 30 11.790 12.749 -3.947 490 2HB GLN 30 HB1 GLN 30 11.439 14.158 -2.955 491 1HG GLN 30 HG2 GLN 30 11.637 15.275 -4.880 492 2HG GLN 30 HG1 GLN 30 13.368 15.146 -4.571 493 1HE2 GLN 30 HE21 GLN 30 11.599 15.195 -7.047 494 2HE2 GLN 30 HE22 GLN 30 12.177 13.869 -7.991 495 H HIS 31 HN HIS 31 12.449 13.278 -0.379 496 HA HIS 31 HA HIS 31 13.846 15.682 0.537 497 1HB HIS 31 HB2 HIS 31 11.843 16.610 1.562 498 2HB HIS 31 HB1 HIS 31 11.606 16.421 -0.172 499 HD1 HIS 31 HD1 HIS 31 10.401 13.930 -0.716 500 HD2 HIS 31 HD2 HIS 31 9.704 15.741 2.951 501 HE1 HIS 31 HE1 HIS 31 8.266 12.923 0.136 502 HE2 HIS 31 HE2 HIS 31 8.009 13.859 2.460 503 HA PRO 32 HA PRO 32 13.965 12.178 3.599 504 1HB PRO 32 HB2 PRO 32 16.643 12.188 3.968 505 2HB PRO 32 HB1 PRO 32 15.870 11.296 2.652 506 1HG PRO 32 HG2 PRO 32 17.224 13.966 2.593 507 2HG PRO 32 HG1 PRO 32 17.338 12.627 1.434 508 1HD PRO 32 HD2 PRO 32 15.768 14.808 1.024 509 2HD PRO 32 HD1 PRO 32 15.370 13.199 0.390 510 H ARG 33 HN ARG 33 15.373 15.381 3.497 511 HA ARG 33 HA ARG 33 16.137 15.644 6.177 512 1HB ARG 33 HB2 ARG 33 15.124 17.757 4.264 513 2HB ARG 33 HB1 ARG 33 15.936 18.084 5.790 514 1HG ARG 33 HG2 ARG 33 17.723 18.256 4.420 515 2HG ARG 33 HG1 ARG 33 17.779 16.512 4.684 516 1HD ARG 33 HD2 ARG 33 17.193 16.046 2.561 517 2HD ARG 33 HD1 ARG 33 16.038 17.376 2.482 518 HE ARG 33 HE ARG 33 17.670 18.697 1.565 519 1HH1 ARG 33 HH11 ARG 33 19.151 15.848 2.931 520 2HH1 ARG 33 HH12 ARG 33 20.711 16.184 2.260 521 1HH2 ARG 33 HH21 ARG 33 19.721 19.143 0.682 522 2HH2 ARG 33 HH22 ARG 33 21.035 18.055 0.983 Start of MODEL 20 1 H CYS 1 HT1 CYS 1 13.451 25.133 -6.827 2 HA CYS 1 HA CYS 1 11.033 25.617 -5.240 3 1HB CYS 1 HB2 CYS 1 11.720 24.559 -7.967 4 2HB CYS 1 HB1 CYS 1 10.205 24.103 -7.196 5 HG CYS 1 HG CYS 1 10.143 26.330 -8.792 6 H GLY 2 HN GLY 2 10.773 24.249 -3.598 7 1HA GLY 2 HA2 GLY 2 10.755 21.466 -3.882 8 2HA GLY 2 HA1 GLY 2 12.310 21.919 -3.203 9 H GLY 3 HN GLY 3 9.213 23.505 -2.597 10 1HA GLY 3 HA2 GLY 3 9.583 23.593 0.188 11 2HA GLY 3 HA1 GLY 3 8.058 23.858 -0.645 12 H ASP 4 HN ASP 4 6.935 22.786 1.030 13 HA ASP 4 HA ASP 4 7.509 19.963 1.460 14 1HB ASP 4 HB2 ASP 4 5.402 21.738 2.696 15 2HB ASP 4 HB1 ASP 4 5.772 20.087 3.187 16 H ASN 5 HN ASN 5 6.138 21.377 -0.995 17 HA ASN 5 HA ASN 5 3.523 20.528 -1.267 18 1HB ASN 5 HB2 ASN 5 5.020 21.909 -2.887 19 2HB ASN 5 HB1 ASN 5 5.448 20.342 -3.570 20 1HD2 ASN 5 HD21 ASN 5 2.430 21.776 -2.370 21 2HD2 ASN 5 HD22 ASN 5 1.511 21.454 -3.796 22 H ILE 6 HN ILE 6 6.489 18.742 -1.414 23 HA ILE 6 HA ILE 6 5.364 16.355 -2.533 24 HB ILE 6 HB ILE 6 7.922 16.613 -0.957 25 1HG1 ILE 6 HG12 ILE 6 8.129 16.597 -3.885 26 2HG1 ILE 6 HG11 ILE 6 7.347 18.038 -3.245 27 1HG2 ILE 6 HG21 ILE 6 8.620 14.649 -2.135 28 2HG2 ILE 6 HG22 ILE 6 7.167 14.674 -3.133 29 3HG2 ILE 6 HG23 ILE 6 7.045 14.336 -1.406 30 1HD1 ILE 6 HD11 ILE 6 10.074 17.002 -2.511 31 2HD1 ILE 6 HD12 ILE 6 9.287 18.400 -1.775 32 3HD1 ILE 6 HD13 ILE 6 9.706 18.423 -3.489 33 H GLU 7 HN GLU 7 6.284 17.486 0.683 34 HA GLU 7 HA GLU 7 5.761 15.180 2.150 35 1HB GLU 7 HB2 GLU 7 6.666 17.640 2.778 36 2HB GLU 7 HB1 GLU 7 5.026 17.765 3.398 37 1HG GLU 7 HG2 GLU 7 5.770 15.362 4.399 38 2HG GLU 7 HG1 GLU 7 7.311 16.219 4.390 39 H GLN 8 HN GLN 8 3.601 17.558 0.814 40 HA GLN 8 HA GLN 8 1.306 16.665 2.306 41 1HB GLN 8 HB2 GLN 8 1.773 19.004 1.226 42 2HB GLN 8 HB1 GLN 8 1.135 18.254 -0.231 43 1HG GLN 8 HG2 GLN 8 -0.655 17.650 1.862 44 2HG GLN 8 HG1 GLN 8 -0.270 19.365 1.982 45 1HE2 GLN 8 HE21 GLN 8 -1.341 20.714 0.715 46 2HE2 GLN 8 HE22 GLN 8 -2.279 20.273 -0.666 47 H LYS 9 HN LYS 9 2.606 16.256 -0.942 48 HA LYS 9 HA LYS 9 0.481 14.785 -2.033 49 1HB LYS 9 HB2 LYS 9 2.788 15.801 -3.022 50 2HB LYS 9 HB1 LYS 9 3.209 14.096 -2.942 51 1HG LYS 9 HG2 LYS 9 0.956 13.733 -4.164 52 2HG LYS 9 HG1 LYS 9 1.097 15.445 -4.566 53 1HD LYS 9 HD2 LYS 9 2.265 14.695 -6.336 54 2HD LYS 9 HD1 LYS 9 3.588 14.557 -5.177 55 1HE LYS 9 HE2 LYS 9 3.673 12.429 -5.906 56 2HE LYS 9 HE1 LYS 9 2.338 12.197 -4.779 57 1HZ LYS 9 HZ1 LYS 9 0.854 11.979 -6.444 58 2HZ LYS 9 HZ2 LYS 9 2.214 11.512 -7.332 59 3HZ LYS 9 HZ3 LYS 9 1.629 13.094 -7.454 60 H ILE 10 HN ILE 10 3.254 13.828 -0.094 61 HA ILE 10 HA ILE 10 2.902 11.026 -0.482 62 HB ILE 10 HB ILE 10 4.319 10.796 1.571 63 1HG1 ILE 10 HG12 ILE 10 4.613 13.792 1.329 64 2HG1 ILE 10 HG11 ILE 10 3.678 12.984 2.583 65 1HG2 ILE 10 HG21 ILE 10 5.013 11.198 -0.964 66 2HG2 ILE 10 HG22 ILE 10 6.199 10.981 0.321 67 3HG2 ILE 10 HG23 ILE 10 5.796 12.602 -0.243 68 1HD1 ILE 10 HD11 ILE 10 6.637 12.710 2.125 69 2HD1 ILE 10 HD12 ILE 10 5.706 11.873 3.368 70 3HD1 ILE 10 HD13 ILE 10 5.854 13.630 3.409 71 H ASP 11 HN ASP 11 1.903 13.294 2.070 72 HA ASP 11 HA ASP 11 0.854 11.524 3.908 73 1HB ASP 11 HB2 ASP 11 0.934 14.182 3.817 74 2HB ASP 11 HB1 ASP 11 -0.733 13.977 3.282 75 H ASP 12 HN ASP 12 -0.436 12.607 0.856 76 HA ASP 12 HA ASP 12 -3.048 11.521 1.152 77 1HB ASP 12 HB2 ASP 12 -1.408 12.591 -1.082 78 2HB ASP 12 HB1 ASP 12 -2.719 11.500 -1.524 79 H ILE 13 HN ILE 13 -0.059 10.349 -0.326 80 HA ILE 13 HA ILE 13 -1.037 7.874 -1.223 81 HB ILE 13 HB ILE 13 1.779 8.458 -0.301 82 1HG1 ILE 13 HG12 ILE 13 0.483 8.918 -2.993 83 2HG1 ILE 13 HG11 ILE 13 1.090 10.154 -1.898 84 1HG2 ILE 13 HG21 ILE 13 1.411 6.696 -2.585 85 2HG2 ILE 13 HG22 ILE 13 0.641 6.084 -1.123 86 3HG2 ILE 13 HG23 ILE 13 2.362 6.464 -1.118 87 1HD1 ILE 13 HD11 ILE 13 2.532 9.544 -3.895 88 2HD1 ILE 13 HD12 ILE 13 2.879 8.042 -3.041 89 3HD1 ILE 13 HD13 ILE 13 3.318 9.588 -2.318 90 H ASP 14 HN ASP 14 0.584 8.798 1.808 91 HA ASP 14 HA ASP 14 0.807 6.364 3.050 92 1HB ASP 14 HB2 ASP 14 1.257 8.903 3.829 93 2HB ASP 14 HB1 ASP 14 -0.204 8.571 4.755 94 H HIS 15 HN HIS 15 -2.079 8.277 2.548 95 HA HIS 15 HA HIS 15 -3.723 6.720 4.312 96 1HB HIS 15 HB2 HIS 15 -4.077 9.159 3.476 97 2HB HIS 15 HB1 HIS 15 -4.784 8.397 2.054 98 HD1 HIS 15 HD1 HIS 15 -5.850 6.097 4.337 99 HD2 HIS 15 HD2 HIS 15 -6.821 10.104 3.823 100 HE1 HIS 15 HE1 HIS 15 -8.089 6.393 5.441 101 HE2 HIS 15 HE2 HIS 15 -8.615 8.845 5.195 102 H GLU 16 HN GLU 16 -2.773 6.598 0.969 103 HA GLU 16 HA GLU 16 -4.805 4.670 0.261 104 1HB GLU 16 HB2 GLU 16 -2.393 5.381 -1.394 105 2HB GLU 16 HB1 GLU 16 -3.953 4.783 -1.943 106 1HG GLU 16 HG2 GLU 16 -3.754 7.419 -0.550 107 2HG GLU 16 HG1 GLU 16 -3.351 7.276 -2.260 108 H ILE 17 HN ILE 17 -1.417 4.698 1.119 109 HA ILE 17 HA ILE 17 -0.754 2.075 0.341 110 HB ILE 17 HB ILE 17 0.447 3.605 2.651 111 1HG1 ILE 17 HG12 ILE 17 1.599 3.648 -0.104 112 2HG1 ILE 17 HG11 ILE 17 0.268 4.733 0.270 113 1HG2 ILE 17 HG21 ILE 17 1.567 1.672 2.843 114 2HG2 ILE 17 HG22 ILE 17 2.461 2.240 1.432 115 3HG2 ILE 17 HG23 ILE 17 1.106 1.130 1.230 116 1HD1 ILE 17 HD11 ILE 17 2.987 5.129 0.748 117 2HD1 ILE 17 HD12 ILE 17 2.255 4.860 2.330 118 3HD1 ILE 17 HD13 ILE 17 1.641 6.136 1.280 119 H ALA 18 HN ALA 18 -2.208 3.429 3.228 120 HA ALA 18 HA ALA 18 -2.073 0.992 4.745 121 1HB ALA 18 HB1 ALA 18 -2.162 2.647 6.265 122 2HB ALA 18 HB2 ALA 18 -3.906 2.488 6.059 123 3HB ALA 18 HB3 ALA 18 -3.024 3.739 5.180 124 H ASP 19 HN ASP 19 -4.473 2.636 2.761 125 HA ASP 19 HA ASP 19 -6.752 1.217 3.473 126 1HB ASP 19 HB2 ASP 19 -5.864 2.705 1.061 127 2HB ASP 19 HB1 ASP 19 -7.227 1.610 0.855 128 H LEU 20 HN LEU 20 -4.340 0.453 0.978 129 HA LEU 20 HA LEU 20 -5.551 -1.927 0.086 130 1HB LEU 20 HB2 LEU 20 -2.589 -1.461 0.052 131 2HB LEU 20 HB1 LEU 20 -3.565 -2.356 -1.095 132 HG LEU 20 HG LEU 20 -3.313 0.623 -0.796 133 1HD1 LEU 20 HD11 LEU 20 -2.701 -1.404 -2.909 134 2HD1 LEU 20 HD12 LEU 20 -1.664 -0.154 -2.225 135 3HD1 LEU 20 HD13 LEU 20 -2.965 0.288 -3.329 136 1HD2 LEU 20 HD21 LEU 20 -5.019 0.379 -2.855 137 2HD2 LEU 20 HD22 LEU 20 -5.537 0.684 -1.197 138 3HD2 LEU 20 HD23 LEU 20 -5.576 -0.956 -1.844 139 H GLN 21 HN GLN 21 -2.832 -1.432 2.334 140 HA GLN 21 HA GLN 21 -2.271 -4.027 3.003 141 1HB GLN 21 HB2 GLN 21 -1.350 -1.677 3.867 142 2HB GLN 21 HB1 GLN 21 -2.373 -2.069 5.243 143 1HG GLN 21 HG2 GLN 21 -1.146 -4.005 5.740 144 2HG GLN 21 HG1 GLN 21 -0.339 -3.995 4.173 145 1HE2 GLN 21 HE21 GLN 21 0.224 -3.555 7.294 146 2HE2 GLN 21 HE22 GLN 21 1.481 -2.371 7.240 147 H ALA 22 HN ALA 22 -5.007 -2.104 3.999 148 HA ALA 22 HA ALA 22 -5.866 -3.834 6.100 149 1HB ALA 22 HB1 ALA 22 -7.406 -1.766 4.535 150 2HB ALA 22 HB2 ALA 22 -6.537 -1.498 6.046 151 3HB ALA 22 HB3 ALA 22 -7.954 -2.547 6.018 152 H LYS 23 HN LYS 23 -6.593 -3.552 2.666 153 HA LYS 23 HA LYS 23 -8.748 -5.387 2.631 154 1HB LYS 23 HB2 LYS 23 -6.911 -4.902 0.298 155 2HB LYS 23 HB1 LYS 23 -8.625 -5.289 0.276 156 1HG LYS 23 HG2 LYS 23 -7.339 -2.687 1.055 157 2HG LYS 23 HG1 LYS 23 -8.398 -3.006 -0.319 158 1HD LYS 23 HD2 LYS 23 -10.264 -3.414 1.170 159 2HD LYS 23 HD1 LYS 23 -9.217 -3.222 2.577 160 1HE LYS 23 HE2 LYS 23 -9.943 -1.097 2.549 161 2HE LYS 23 HE1 LYS 23 -8.761 -0.894 1.257 162 1HZ LYS 23 HZ1 LYS 23 -10.677 -0.042 0.335 163 2HZ LYS 23 HZ2 LYS 23 -11.684 -1.191 1.061 164 3HZ LYS 23 HZ3 LYS 23 -10.704 -1.632 -0.246 165 H ARG 24 HN ARG 24 -5.270 -5.763 2.405 166 HA ARG 24 HA ARG 24 -5.308 -8.468 1.511 167 1HB ARG 24 HB2 ARG 24 -3.354 -7.030 1.200 168 2HB ARG 24 HB1 ARG 24 -3.146 -6.914 2.941 169 1HG ARG 24 HG2 ARG 24 -2.038 -8.839 3.037 170 2HG ARG 24 HG1 ARG 24 -3.230 -9.667 2.032 171 1HD ARG 24 HD2 ARG 24 -2.035 -8.139 0.171 172 2HD ARG 24 HD1 ARG 24 -0.688 -8.358 1.287 173 HE ARG 24 HE ARG 24 -1.776 -10.307 -0.477 174 1HH1 ARG 24 HH11 ARG 24 -0.288 -9.918 2.656 175 2HH1 ARG 24 HH12 ARG 24 0.356 -11.525 2.688 176 1HH2 ARG 24 HH21 ARG 24 -0.928 -12.418 -0.438 177 2HH2 ARG 24 HH22 ARG 24 -0.005 -12.945 0.931 178 H THR 25 HN THR 25 -5.030 -6.946 4.698 179 HA THR 25 HA THR 25 -4.597 -9.321 6.156 180 HB THR 25 HB THR 25 -6.071 -7.148 7.503 181 HG1 THR 25 HG1 THR 25 -4.257 -5.764 7.395 182 1HG2 THR 25 HG21 THR 25 -3.827 -8.952 8.076 183 2HG2 THR 25 HG22 THR 25 -5.107 -8.351 9.130 184 3HG2 THR 25 HG23 THR 25 -3.712 -7.335 8.769 185 H ARG 26 HN ARG 26 -7.587 -7.396 5.784 186 HA ARG 26 HA ARG 26 -9.311 -9.030 7.168 187 1HB ARG 26 HB2 ARG 26 -11.120 -8.117 5.748 188 2HB ARG 26 HB1 ARG 26 -10.025 -6.877 6.338 189 1HG ARG 26 HG2 ARG 26 -9.443 -6.260 4.282 190 2HG ARG 26 HG1 ARG 26 -9.235 -7.925 3.745 191 1HD ARG 26 HD2 ARG 26 -11.066 -7.618 2.513 192 2HD ARG 26 HD1 ARG 26 -11.969 -7.676 4.026 193 HE ARG 26 HE ARG 26 -11.426 -5.355 2.408 194 1HH1 ARG 26 HH11 ARG 26 -12.291 -6.507 5.588 195 2HH1 ARG 26 HH12 ARG 26 -13.027 -5.014 6.064 196 1HH2 ARG 26 HH21 ARG 26 -12.394 -3.392 3.034 197 2HH2 ARG 26 HH22 ARG 26 -13.086 -3.246 4.615 198 H LEU 27 HN LEU 27 -8.120 -9.407 3.881 199 HA LEU 27 HA LEU 27 -9.837 -11.569 3.198 200 1HB LEU 27 HB2 LEU 27 -7.457 -10.265 2.030 201 2HB LEU 27 HB1 LEU 27 -7.679 -11.952 1.604 202 HG LEU 27 HG LEU 27 -10.037 -11.331 0.891 203 1HD1 LEU 27 HD11 LEU 27 -9.081 -8.542 0.570 204 2HD1 LEU 27 HD12 LEU 27 -9.681 -9.033 2.153 205 3HD1 LEU 27 HD13 LEU 27 -10.722 -9.167 0.736 206 1HD2 LEU 27 HD21 LEU 27 -7.556 -10.383 -0.497 207 2HD2 LEU 27 HD22 LEU 27 -9.147 -10.198 -1.236 208 3HD2 LEU 27 HD23 LEU 27 -8.542 -11.805 -0.831 209 H VAL 28 HN VAL 28 -6.651 -11.294 4.670 210 HA VAL 28 HA VAL 28 -5.964 -14.028 4.609 211 HB VAL 28 HB VAL 28 -5.172 -12.022 6.716 212 1HG1 VAL 28 HG11 VAL 28 -3.630 -14.414 5.745 213 2HG1 VAL 28 HG12 VAL 28 -4.723 -14.471 7.127 214 3HG1 VAL 28 HG13 VAL 28 -3.312 -13.415 7.163 215 1HG2 VAL 28 HG21 VAL 28 -4.641 -11.964 3.939 216 2HG2 VAL 28 HG22 VAL 28 -3.145 -12.424 4.750 217 3HG2 VAL 28 HG23 VAL 28 -3.969 -10.932 5.199 218 H GLN 29 HN GLN 29 -7.612 -12.041 7.031 219 HA GLN 29 HA GLN 29 -7.949 -13.933 9.034 220 1HB GLN 29 HB2 GLN 29 -9.402 -11.480 8.191 221 2HB GLN 29 HB1 GLN 29 -10.257 -12.574 9.271 222 1HG GLN 29 HG2 GLN 29 -7.583 -11.290 9.782 223 2HG GLN 29 HG1 GLN 29 -9.120 -10.851 10.527 224 1HE2 GLN 29 HE21 GLN 29 -6.532 -13.153 10.426 225 2HE2 GLN 29 HE22 GLN 29 -6.964 -14.015 11.860 226 H GLN 30 HN GLN 30 -9.594 -13.510 5.992 227 HA GLN 30 HA GLN 30 -11.760 -15.284 6.523 228 1HB GLN 30 HB2 GLN 30 -11.590 -13.479 4.698 229 2HB GLN 30 HB1 GLN 30 -10.658 -14.663 3.790 230 1HG GLN 30 HG2 GLN 30 -12.475 -16.097 3.554 231 2HG GLN 30 HG1 GLN 30 -13.366 -15.334 4.871 232 1HE2 GLN 30 HE21 GLN 30 -14.252 -15.863 2.176 233 2HE2 GLN 30 HE22 GLN 30 -14.668 -14.336 1.482 234 H HIS 31 HN HIS 31 -8.473 -15.658 5.390 235 HA HIS 31 HA HIS 31 -8.795 -18.551 5.565 236 1HB HIS 31 HB2 HIS 31 -7.680 -18.979 3.444 237 2HB HIS 31 HB1 HIS 31 -9.144 -18.037 3.184 238 HD1 HIS 31 HD1 HIS 31 -8.652 -15.345 2.959 239 HD2 HIS 31 HD2 HIS 31 -5.492 -17.934 2.227 240 HE1 HIS 31 HE1 HIS 31 -7.004 -14.029 1.601 241 HE2 HIS 31 HE2 HIS 31 -5.005 -15.543 1.386 242 HA PRO 32 HA PRO 32 -4.778 -16.984 7.293 243 1HB PRO 32 HB2 PRO 32 -5.187 -17.484 9.886 244 2HB PRO 32 HB1 PRO 32 -5.847 -16.035 9.119 245 1HG PRO 32 HG2 PRO 32 -7.215 -18.597 9.824 246 2HG PRO 32 HG1 PRO 32 -7.806 -16.932 9.974 247 1HD PRO 32 HD2 PRO 32 -8.439 -18.659 7.903 248 2HD PRO 32 HD1 PRO 32 -8.552 -16.891 7.820 249 H ARG 33 HN ARG 33 -5.011 -19.352 5.936 250 HA ARG 33 HA ARG 33 -3.094 -20.982 7.134 251 1HB ARG 33 HB2 ARG 33 -4.627 -23.028 7.472 252 2HB ARG 33 HB1 ARG 33 -4.591 -21.801 8.730 253 1HG ARG 33 HG2 ARG 33 -6.623 -21.145 6.830 254 2HG ARG 33 HG1 ARG 33 -6.822 -22.818 7.355 255 1HD ARG 33 HD2 ARG 33 -6.421 -20.539 9.277 256 2HD ARG 33 HD1 ARG 33 -8.015 -21.054 8.728 257 HE ARG 33 HE ARG 33 -6.914 -23.348 9.631 258 1HH1 ARG 33 HH11 ARG 33 -7.284 -20.177 11.042 259 2HH1 ARG 33 HH12 ARG 33 -7.382 -20.772 12.664 260 1HH2 ARG 33 HH21 ARG 33 -7.044 -24.133 11.765 261 2HH2 ARG 33 HH22 ARG 33 -7.247 -23.018 13.075 262 H CYS 1 HN CYS 1 -16.690 -25.291 -2.337 263 HA CYS 1 HA CYS 1 -15.978 -24.411 -4.701 264 1HB CYS 1 HB2 CYS 1 -18.292 -24.204 -3.358 265 2HB CYS 1 HB1 CYS 1 -17.846 -22.502 -3.404 266 HG CYS 1 HG CYS 1 -18.225 -24.178 -6.000 267 H GLY 2 HN GLY 2 -13.870 -23.613 -2.923 268 1HA GLY 2 HA2 GLY 2 -12.903 -21.350 -4.147 269 2HA GLY 2 HA1 GLY 2 -13.788 -20.757 -2.749 270 H GLY 3 HN GLY 3 -11.291 -23.130 -3.646 271 1HA GLY 3 HA2 GLY 3 -10.267 -23.492 -1.049 272 2HA GLY 3 HA1 GLY 3 -9.400 -23.818 -2.542 273 H ASP 4 HN ASP 4 -7.922 -22.350 -3.308 274 HA ASP 4 HA ASP 4 -7.117 -20.292 -1.404 275 1HB ASP 4 HB2 ASP 4 -5.733 -21.342 -3.873 276 2HB ASP 4 HB1 ASP 4 -5.051 -20.182 -2.737 277 H ASN 5 HN ASN 5 -9.362 -20.194 -3.567 278 HA ASN 5 HA ASN 5 -8.758 -18.329 -5.523 279 1HB ASN 5 HB2 ASN 5 -11.022 -19.634 -4.783 280 2HB ASN 5 HB1 ASN 5 -11.400 -18.004 -4.230 281 1HD2 ASN 5 HD21 ASN 5 -10.034 -16.556 -6.186 282 2HD2 ASN 5 HD22 ASN 5 -10.840 -16.782 -7.697 283 H ILE 6 HN ILE 6 -9.218 -17.955 -2.123 284 HA ILE 6 HA ILE 6 -9.493 -15.089 -2.172 285 HB ILE 6 HB ILE 6 -8.786 -16.807 0.198 286 1HG1 ILE 6 HG12 ILE 6 -11.556 -16.122 -0.813 287 2HG1 ILE 6 HG11 ILE 6 -10.797 -17.705 -0.951 288 1HG2 ILE 6 HG21 ILE 6 -10.324 -14.226 0.072 289 2HG2 ILE 6 HG22 ILE 6 -8.589 -14.329 0.367 290 3HG2 ILE 6 HG23 ILE 6 -9.723 -15.054 1.508 291 1HD1 ILE 6 HD11 ILE 6 -12.445 -16.936 1.058 292 2HD1 ILE 6 HD12 ILE 6 -10.859 -16.633 1.769 293 3HD1 ILE 6 HD13 ILE 6 -11.263 -18.240 1.165 294 H GLU 7 HN GLU 7 -6.999 -17.446 -1.335 295 HA GLU 7 HA GLU 7 -4.994 -15.711 -0.495 296 1HB GLU 7 HB2 GLU 7 -5.209 -18.410 -0.764 297 2HB GLU 7 HB1 GLU 7 -4.096 -18.037 -2.073 298 1HG GLU 7 HG2 GLU 7 -2.840 -16.676 -0.240 299 2HG GLU 7 HG1 GLU 7 -3.740 -17.710 0.867 300 H GLN 8 HN GLN 8 -6.138 -16.453 -3.689 301 HA GLN 8 HA GLN 8 -3.858 -15.343 -5.047 302 1HB GLN 8 HB2 GLN 8 -5.604 -17.104 -5.891 303 2HB GLN 8 HB1 GLN 8 -6.548 -15.686 -6.326 304 1HG GLN 8 HG2 GLN 8 -3.845 -15.391 -7.242 305 2HG GLN 8 HG1 GLN 8 -4.521 -16.918 -7.806 306 1HE2 GLN 8 HE21 GLN 8 -4.020 -13.908 -8.749 307 2HE2 GLN 8 HE22 GLN 8 -5.387 -13.645 -9.771 308 H LYS 9 HN LYS 9 -7.063 -14.281 -4.088 309 HA LYS 9 HA LYS 9 -7.143 -11.849 -5.474 310 1HB LYS 9 HB2 LYS 9 -8.576 -13.065 -3.204 311 2HB LYS 9 HB1 LYS 9 -8.576 -11.307 -3.220 312 1HG LYS 9 HG2 LYS 9 -9.419 -11.417 -5.576 313 2HG LYS 9 HG1 LYS 9 -9.608 -13.157 -5.353 314 1HD LYS 9 HD2 LYS 9 -11.121 -12.746 -3.470 315 2HD LYS 9 HD1 LYS 9 -10.934 -11.007 -3.701 316 1HE LYS 9 HE2 LYS 9 -11.851 -12.727 -5.966 317 2HE LYS 9 HE1 LYS 9 -12.993 -12.242 -4.714 318 1HZ LYS 9 HZ1 LYS 9 -11.313 -10.292 -6.179 319 2HZ LYS 9 HZ2 LYS 9 -12.674 -9.982 -5.225 320 3HZ LYS 9 HZ3 LYS 9 -12.849 -10.756 -6.718 321 H ILE 10 HN ILE 10 -5.752 -12.714 -2.352 322 HA ILE 10 HA ILE 10 -5.144 -10.036 -1.598 323 HB ILE 10 HB ILE 10 -3.539 -11.112 0.019 324 1HG1 ILE 10 HG12 ILE 10 -4.856 -13.676 -0.891 325 2HG1 ILE 10 HG11 ILE 10 -3.220 -13.196 -1.337 326 1HG2 ILE 10 HG21 ILE 10 -6.423 -11.975 0.067 327 2HG2 ILE 10 HG22 ILE 10 -5.773 -10.449 0.665 328 3HG2 ILE 10 HG23 ILE 10 -5.339 -11.964 1.458 329 1HD1 ILE 10 HD11 ILE 10 -2.590 -13.194 1.026 330 2HD1 ILE 10 HD12 ILE 10 -3.183 -14.767 0.495 331 3HD1 ILE 10 HD13 ILE 10 -4.221 -13.710 1.451 332 H ASP 11 HN ASP 11 -3.266 -12.639 -3.125 333 HA ASP 11 HA ASP 11 -0.757 -11.519 -3.145 334 1HB ASP 11 HB2 ASP 11 -1.408 -13.767 -4.086 335 2HB ASP 11 HB1 ASP 11 -1.991 -12.929 -5.520 336 H ASP 12 HN ASP 12 -3.547 -10.729 -5.083 337 HA ASP 12 HA ASP 12 -2.228 -8.990 -6.910 338 1HB ASP 12 HB2 ASP 12 -4.705 -10.073 -6.837 339 2HB ASP 12 HB1 ASP 12 -5.068 -8.457 -6.238 340 H ILE 13 HN ILE 13 -4.052 -8.490 -3.919 341 HA ILE 13 HA ILE 13 -3.841 -5.693 -3.819 342 HB ILE 13 HB ILE 13 -3.947 -7.562 -1.446 343 1HG1 ILE 13 HG12 ILE 13 -6.204 -6.404 -3.099 344 2HG1 ILE 13 HG11 ILE 13 -5.740 -8.100 -3.024 345 1HG2 ILE 13 HG21 ILE 13 -5.378 -5.030 -1.298 346 2HG2 ILE 13 HG22 ILE 13 -3.639 -4.829 -1.515 347 3HG2 ILE 13 HG23 ILE 13 -4.256 -5.767 -0.154 348 1HD1 ILE 13 HD11 ILE 13 -7.168 -8.369 -1.364 349 2HD1 ILE 13 HD12 ILE 13 -7.524 -6.643 -1.348 350 3HD1 ILE 13 HD13 ILE 13 -6.195 -7.278 -0.377 351 H ASP 14 HN ASP 14 -1.812 -8.225 -2.347 352 HA ASP 14 HA ASP 14 0.003 -6.691 -0.979 353 1HB ASP 14 HB2 ASP 14 -0.196 -9.317 -1.434 354 2HB ASP 14 HB1 ASP 14 1.107 -8.956 -2.563 355 H HIS 15 HN HIS 15 -0.233 -7.198 -4.435 356 HA HIS 15 HA HIS 15 2.317 -6.040 -5.044 357 1HB HIS 15 HB2 HIS 15 0.917 -7.668 -6.483 358 2HB HIS 15 HB1 HIS 15 0.008 -6.239 -6.965 359 HD1 HIS 15 HD1 HIS 15 3.384 -5.179 -6.538 360 HD2 HIS 15 HD2 HIS 15 1.310 -7.214 -9.509 361 HE1 HIS 15 HE1 HIS 15 4.788 -4.954 -8.613 362 HE2 HIS 15 HE2 HIS 15 3.556 -6.269 -10.375 363 H GLU 16 HN GLU 16 -0.920 -4.889 -4.555 364 HA GLU 16 HA GLU 16 -0.382 -2.292 -5.700 365 1HB GLU 16 HB2 GLU 16 -2.779 -3.047 -4.042 366 2HB GLU 16 HB1 GLU 16 -2.654 -1.782 -5.257 367 1HG GLU 16 HG2 GLU 16 -2.248 -4.629 -6.046 368 2HG GLU 16 HG1 GLU 16 -3.881 -4.015 -5.790 369 H ILE 17 HN ILE 17 -0.641 -3.765 -2.531 370 HA ILE 17 HA ILE 17 -0.660 -1.434 -0.967 371 HB ILE 17 HB ILE 17 0.584 -4.069 -0.179 372 1HG1 ILE 17 HG12 ILE 17 -2.258 -3.388 0.439 373 2HG1 ILE 17 HG11 ILE 17 -1.876 -4.004 -1.164 374 1HG2 ILE 17 HG21 ILE 17 1.033 -2.842 1.646 375 2HG2 ILE 17 HG22 ILE 17 -0.676 -3.080 2.013 376 3HG2 ILE 17 HG23 ILE 17 -0.140 -1.597 1.222 377 1HD1 ILE 17 HD11 ILE 17 -2.190 -5.418 1.299 378 2HD1 ILE 17 HD12 ILE 17 -0.575 -5.696 0.647 379 3HD1 ILE 17 HD13 ILE 17 -1.996 -6.047 -0.337 380 H ALA 18 HN ALA 18 1.918 -3.253 -2.480 381 HA ALA 18 HA ALA 18 4.030 -1.856 -1.107 382 1HB ALA 18 HB1 ALA 18 3.834 -4.043 -3.072 383 2HB ALA 18 HB2 ALA 18 4.874 -3.874 -1.658 384 3HB ALA 18 HB3 ALA 18 5.292 -3.055 -3.162 385 H ASP 19 HN ASP 19 2.476 -1.707 -4.275 386 HA ASP 19 HA ASP 19 4.217 -0.015 -5.606 387 1HB ASP 19 HB2 ASP 19 1.854 -1.149 -6.243 388 2HB ASP 19 HB1 ASP 19 1.325 0.513 -5.997 389 H LEU 20 HN LEU 20 1.578 0.809 -3.393 390 HA LEU 20 HA LEU 20 1.865 3.621 -3.669 391 1HB LEU 20 HB2 LEU 20 0.728 2.226 -1.265 392 2HB LEU 20 HB1 LEU 20 0.329 3.817 -1.882 393 HG LEU 20 HG LEU 20 -0.455 1.146 -3.021 394 1HD1 LEU 20 HD11 LEU 20 -1.903 1.888 -1.284 395 2HD1 LEU 20 HD12 LEU 20 -2.726 2.173 -2.817 396 3HD1 LEU 20 HD13 LEU 20 -1.974 3.516 -1.957 397 1HD2 LEU 20 HD21 LEU 20 -1.399 2.252 -4.921 398 2HD2 LEU 20 HD22 LEU 20 0.304 2.700 -4.821 399 3HD2 LEU 20 HD23 LEU 20 -0.939 3.835 -4.293 400 H GLN 21 HN GLN 21 2.890 1.353 -1.124 401 HA GLN 21 HA GLN 21 4.137 3.141 0.572 402 1HB GLN 21 HB2 GLN 21 3.745 0.578 0.785 403 2HB GLN 21 HB1 GLN 21 5.337 0.441 0.051 404 1HG GLN 21 HG2 GLN 21 6.403 1.136 1.904 405 2HG GLN 21 HG1 GLN 21 5.141 2.291 2.329 406 1HE2 GLN 21 HE21 GLN 21 6.270 -0.967 2.634 407 2HE2 GLN 21 HE22 GLN 21 5.164 -1.458 3.868 408 H ALA 22 HN ALA 22 5.312 1.755 -2.425 409 HA ALA 22 HA ALA 22 8.013 2.627 -2.108 410 1HB ALA 22 HB1 ALA 22 8.395 1.792 -4.253 411 2HB ALA 22 HB2 ALA 22 6.725 2.056 -4.755 412 3HB ALA 22 HB3 ALA 22 7.112 0.760 -3.624 413 H LYS 23 HN LYS 23 5.091 4.030 -3.406 414 HA LYS 23 HA LYS 23 6.351 6.152 -4.828 415 1HB LYS 23 HB2 LYS 23 3.562 5.525 -3.966 416 2HB LYS 23 HB1 LYS 23 3.934 7.164 -4.486 417 1HG LYS 23 HG2 LYS 23 4.121 6.577 -6.646 418 2HG LYS 23 HG1 LYS 23 4.893 5.036 -6.271 419 1HD LYS 23 HD2 LYS 23 2.861 4.351 -7.127 420 2HD LYS 23 HD1 LYS 23 2.532 4.376 -5.393 421 1HE LYS 23 HE2 LYS 23 1.563 6.630 -5.639 422 2HE LYS 23 HE1 LYS 23 1.841 6.542 -7.378 423 1HZ LYS 23 HZ1 LYS 23 -0.079 5.026 -5.734 424 2HZ LYS 23 HZ2 LYS 23 0.446 4.405 -7.217 425 3HZ LYS 23 HZ3 LYS 23 -0.350 5.897 -7.159 426 H ARG 24 HN ARG 24 5.208 5.736 -1.536 427 HA ARG 24 HA ARG 24 5.324 8.476 -0.797 428 1HB ARG 24 HB2 ARG 24 4.802 5.933 0.498 429 2HB ARG 24 HB1 ARG 24 5.775 6.980 1.521 430 1HG ARG 24 HG2 ARG 24 3.970 8.768 0.850 431 2HG ARG 24 HG1 ARG 24 2.993 7.330 0.549 432 1HD ARG 24 HD2 ARG 24 2.602 7.119 2.719 433 2HD ARG 24 HD1 ARG 24 4.332 6.999 3.034 434 HE ARG 24 HE ARG 24 3.243 9.675 2.710 435 1HH1 ARG 24 HH11 ARG 24 4.258 7.160 4.912 436 2HH1 ARG 24 HH12 ARG 24 4.466 8.243 6.245 437 1HH2 ARG 24 HH21 ARG 24 3.516 11.095 4.465 438 2HH2 ARG 24 HH22 ARG 24 4.044 10.474 5.994 439 H THR 25 HN THR 25 7.602 5.776 -0.414 440 HA THR 25 HA THR 25 9.586 7.175 0.987 441 HB THR 25 HB THR 25 10.484 5.098 -0.910 442 HG1 THR 25 HG1 THR 25 9.232 3.544 -0.194 443 1HG2 THR 25 HG21 THR 25 11.014 5.904 1.857 444 2HG2 THR 25 HG22 THR 25 12.095 5.231 0.636 445 3HG2 THR 25 HG23 THR 25 11.035 4.166 1.558 446 H ARG 26 HN ARG 26 9.395 6.429 -2.497 447 HA ARG 26 HA ARG 26 11.676 7.722 -3.342 448 1HB ARG 26 HB2 ARG 26 10.591 7.940 -5.534 449 2HB ARG 26 HB1 ARG 26 10.306 6.354 -4.829 450 1HG ARG 26 HG2 ARG 26 8.069 7.023 -4.170 451 2HG ARG 26 HG1 ARG 26 8.350 8.644 -4.806 452 1HD ARG 26 HD2 ARG 26 8.415 6.105 -6.429 453 2HD ARG 26 HD1 ARG 26 7.056 7.225 -6.353 454 HE ARG 26 HE ARG 26 9.530 8.454 -7.150 455 1HH1 ARG 26 HH11 ARG 26 6.701 6.734 -8.254 456 2HH1 ARG 26 HH12 ARG 26 6.802 7.351 -9.868 457 1HH2 ARG 26 HH21 ARG 26 9.664 9.267 -9.273 458 2HH2 ARG 26 HH22 ARG 26 8.484 8.789 -10.447 459 H LEU 27 HN LEU 27 8.449 9.081 -2.831 460 HA LEU 27 HA LEU 27 9.038 11.696 -3.683 461 1HB LEU 27 HB2 LEU 27 6.893 10.357 -2.208 462 2HB LEU 27 HB1 LEU 27 7.143 12.019 -1.708 463 HG LEU 27 HG LEU 27 7.017 12.574 -4.231 464 1HD1 LEU 27 HD11 LEU 27 5.579 9.927 -4.228 465 2HD1 LEU 27 HD12 LEU 27 7.155 10.215 -4.963 466 3HD1 LEU 27 HD13 LEU 27 5.730 11.052 -5.576 467 1HD2 LEU 27 HD21 LEU 27 5.331 13.093 -2.434 468 2HD2 LEU 27 HD22 LEU 27 4.488 11.618 -2.909 469 3HD2 LEU 27 HD23 LEU 27 4.680 12.934 -4.067 470 H VAL 28 HN VAL 28 9.425 10.049 -0.591 471 HA VAL 28 HA VAL 28 10.085 12.319 0.953 472 HB VAL 28 HB VAL 28 11.098 9.511 1.370 473 1HG1 VAL 28 HG11 VAL 28 10.565 11.623 3.441 474 2HG1 VAL 28 HG12 VAL 28 12.139 11.411 2.672 475 3HG1 VAL 28 HG13 VAL 28 11.442 10.104 3.631 476 1HG2 VAL 28 HG21 VAL 28 8.919 10.053 3.075 477 2HG2 VAL 28 HG22 VAL 28 9.005 8.875 1.767 478 3HG2 VAL 28 HG23 VAL 28 8.418 10.506 1.446 479 H GLN 29 HN GLN 29 12.060 10.006 -0.856 480 HA GLN 29 HA GLN 29 14.590 10.919 -0.205 481 1HB GLN 29 HB2 GLN 29 13.419 9.266 -2.247 482 2HB GLN 29 HB1 GLN 29 14.643 10.303 -2.966 483 1HG GLN 29 HG2 GLN 29 15.516 8.120 -2.238 484 2HG GLN 29 HG1 GLN 29 16.311 9.484 -1.454 485 1HE2 GLN 29 HE21 GLN 29 16.787 9.001 0.557 486 2HE2 GLN 29 HE22 GLN 29 15.783 8.139 1.667 487 H GLN 30 HN GLN 30 12.148 12.322 -2.227 488 HA GLN 30 HA GLN 30 13.869 14.213 -3.525 489 1HB GLN 30 HB2 GLN 30 11.399 13.283 -4.088 490 2HB GLN 30 HB1 GLN 30 10.971 14.789 -3.285 491 1HG GLN 30 HG2 GLN 30 13.064 15.319 -5.134 492 2HG GLN 30 HG1 GLN 30 11.813 14.386 -5.953 493 1HE2 GLN 30 HE21 GLN 30 9.675 15.222 -5.997 494 2HE2 GLN 30 HE22 GLN 30 9.389 16.918 -5.838 495 H HIS 31 HN HIS 31 11.936 14.121 -0.600 496 HA HIS 31 HA HIS 31 13.079 16.719 0.142 497 1HB HIS 31 HB2 HIS 31 10.992 17.520 1.059 498 2HB HIS 31 HB1 HIS 31 10.750 17.096 -0.632 499 HD1 HIS 31 HD1 HIS 31 9.912 14.367 -0.774 500 HD2 HIS 31 HD2 HIS 31 8.910 16.656 2.539 501 HE1 HIS 31 HE1 HIS 31 7.915 13.241 0.243 502 HE2 HIS 31 HE2 HIS 31 7.493 14.506 2.378 503 HA PRO 32 HA PRO 32 13.373 13.468 3.499 504 1HB PRO 32 HB2 PRO 32 16.041 13.163 3.554 505 2HB PRO 32 HB1 PRO 32 15.026 12.275 2.412 506 1HG PRO 32 HG2 PRO 32 16.676 14.732 1.968 507 2HG PRO 32 HG1 PRO 32 16.486 13.309 0.928 508 1HD PRO 32 HD2 PRO 32 15.147 15.668 0.542 509 2HD PRO 32 HD1 PRO 32 14.535 14.089 0.014 510 H ARG 33 HN ARG 33 15.326 16.327 2.824 511 HA ARG 33 HA ARG 33 14.726 17.590 5.254 512 1HB ARG 33 HB2 ARG 33 16.868 17.455 6.416 513 2HB ARG 33 HB1 ARG 33 16.165 15.854 6.229 514 1HG ARG 33 HG2 ARG 33 18.030 16.718 4.112 515 2HG ARG 33 HG1 ARG 33 18.727 16.415 5.704 516 1HD ARG 33 HD2 ARG 33 17.130 14.252 5.446 517 2HD ARG 33 HD1 ARG 33 17.549 14.542 3.757 518 HE ARG 33 HE ARG 33 19.694 13.870 4.204 519 1HH1 ARG 33 HH11 ARG 33 18.032 14.446 7.219 520 2HH1 ARG 33 HH12 ARG 33 19.298 13.775 8.190 521 1HH2 ARG 33 HH21 ARG 33 21.361 12.986 5.481 522 2HH2 ARG 33 HH22 ARG 33 21.189 12.946 7.203 Start of MODEL 21 1 H CYS 1 HT1 CYS 1 12.273 27.131 -4.311 2 HA CYS 1 HA CYS 1 12.097 25.349 -5.730 3 1HB CYS 1 HB2 CYS 1 12.740 23.846 -3.245 4 2HB CYS 1 HB1 CYS 1 11.716 23.033 -4.425 5 HG CYS 1 HG CYS 1 13.647 23.119 -6.126 6 H GLY 2 HN GLY 2 10.531 24.540 -2.624 7 1HA GLY 2 HA2 GLY 2 8.006 25.615 -3.426 8 2HA GLY 2 HA1 GLY 2 8.046 23.866 -3.594 9 H GLY 3 HN GLY 3 9.659 23.252 -1.369 10 1HA GLY 3 HA2 GLY 3 9.658 23.694 1.036 11 2HA GLY 3 HA1 GLY 3 7.987 24.209 0.869 12 H ASP 4 HN ASP 4 6.678 22.807 1.819 13 HA ASP 4 HA ASP 4 7.402 19.982 1.922 14 1HB ASP 4 HB2 ASP 4 5.169 21.496 3.271 15 2HB ASP 4 HB1 ASP 4 5.544 19.796 3.529 16 H ASN 5 HN ASN 5 6.171 21.582 -0.432 17 HA ASN 5 HA ASN 5 3.590 20.730 -0.971 18 1HB ASN 5 HB2 ASN 5 5.875 21.685 -2.564 19 2HB ASN 5 HB1 ASN 5 4.739 20.679 -3.457 20 1HD2 ASN 5 HD21 ASN 5 2.353 21.286 -2.789 21 2HD2 ASN 5 HD22 ASN 5 2.002 22.972 -2.914 22 H ILE 6 HN ILE 6 6.587 19.015 -1.047 23 HA ILE 6 HA ILE 6 5.573 16.744 -2.504 24 HB ILE 6 HB ILE 6 8.093 16.880 -0.859 25 1HG1 ILE 6 HG12 ILE 6 7.795 17.583 -3.787 26 2HG1 ILE 6 HG11 ILE 6 7.941 18.772 -2.496 27 1HG2 ILE 6 HG21 ILE 6 8.875 15.120 -2.281 28 2HG2 ILE 6 HG22 ILE 6 7.441 15.245 -3.301 29 3HG2 ILE 6 HG23 ILE 6 7.294 14.666 -1.643 30 1HD1 ILE 6 HD11 ILE 6 10.048 18.295 -3.734 31 2HD1 ILE 6 HD12 ILE 6 10.007 16.663 -3.063 32 3HD1 ILE 6 HD13 ILE 6 10.151 18.056 -1.990 33 H GLU 7 HN GLU 7 6.439 17.529 0.829 34 HA GLU 7 HA GLU 7 5.963 15.065 2.024 35 1HB GLU 7 HB2 GLU 7 6.770 17.488 2.925 36 2HB GLU 7 HB1 GLU 7 5.136 17.443 3.572 37 1HG GLU 7 HG2 GLU 7 5.583 15.654 4.948 38 2HG GLU 7 HG1 GLU 7 6.942 15.105 3.968 39 H GLN 8 HN GLN 8 3.739 17.490 0.902 40 HA GLN 8 HA GLN 8 1.462 16.440 2.301 41 1HB GLN 8 HB2 GLN 8 1.909 18.837 1.265 42 2HB GLN 8 HB1 GLN 8 1.185 18.107 -0.161 43 1HG GLN 8 HG2 GLN 8 -0.597 19.129 0.923 44 2HG GLN 8 HG1 GLN 8 -0.737 17.431 1.376 45 1HE2 GLN 8 HE21 GLN 8 -1.867 19.626 2.770 46 2HE2 GLN 8 HE22 GLN 8 -1.151 19.673 4.342 47 H LYS 9 HN LYS 9 2.856 16.144 -0.911 48 HA LYS 9 HA LYS 9 0.762 14.702 -2.114 49 1HB LYS 9 HB2 LYS 9 2.965 15.807 -3.092 50 2HB LYS 9 HB1 LYS 9 3.591 14.175 -2.902 51 1HG LYS 9 HG2 LYS 9 2.039 13.284 -4.419 52 2HG LYS 9 HG1 LYS 9 1.034 14.735 -4.367 53 1HD LYS 9 HD2 LYS 9 2.098 15.238 -6.289 54 2HD LYS 9 HD1 LYS 9 3.386 15.779 -5.211 55 1HE LYS 9 HE2 LYS 9 4.465 13.598 -5.392 56 2HE LYS 9 HE1 LYS 9 3.166 13.034 -6.442 57 1HZ LYS 9 HZ1 LYS 9 3.848 14.429 -8.158 58 2HZ LYS 9 HZ2 LYS 9 5.304 13.840 -7.530 59 3HZ LYS 9 HZ3 LYS 9 4.787 15.403 -7.141 60 H ILE 10 HN ILE 10 3.539 13.694 -0.197 61 HA ILE 10 HA ILE 10 3.175 10.903 -0.656 62 HB ILE 10 HB ILE 10 4.620 10.620 1.371 63 1HG1 ILE 10 HG12 ILE 10 4.927 13.620 1.202 64 2HG1 ILE 10 HG11 ILE 10 3.979 12.791 2.433 65 1HG2 ILE 10 HG21 ILE 10 5.346 11.966 -1.144 66 2HG2 ILE 10 HG22 ILE 10 5.932 10.453 -0.454 67 3HG2 ILE 10 HG23 ILE 10 6.567 11.992 0.128 68 1HD1 ILE 10 HD11 ILE 10 5.989 11.644 3.204 69 2HD1 ILE 10 HD12 ILE 10 6.160 13.398 3.280 70 3HD1 ILE 10 HD13 ILE 10 6.935 12.493 1.980 71 H ASP 11 HN ASP 11 2.207 13.114 1.953 72 HA ASP 11 HA ASP 11 1.182 11.301 3.766 73 1HB ASP 11 HB2 ASP 11 1.268 13.976 3.708 74 2HB ASP 11 HB1 ASP 11 -0.422 13.761 3.257 75 H ASP 12 HN ASP 12 -0.141 12.451 0.754 76 HA ASP 12 HA ASP 12 -2.758 11.384 1.074 77 1HB ASP 12 HB2 ASP 12 -1.517 12.992 -0.797 78 2HB ASP 12 HB1 ASP 12 -1.756 11.489 -1.682 79 H ILE 13 HN ILE 13 0.189 10.232 -0.503 80 HA ILE 13 HA ILE 13 -0.804 7.778 -1.421 81 HB ILE 13 HB ILE 13 2.021 8.347 -0.522 82 1HG1 ILE 13 HG12 ILE 13 0.657 8.870 -3.167 83 2HG1 ILE 13 HG11 ILE 13 1.358 10.063 -2.080 84 1HG2 ILE 13 HG21 ILE 13 2.608 6.370 -1.382 85 2HG2 ILE 13 HG22 ILE 13 1.612 6.604 -2.819 86 3HG2 ILE 13 HG23 ILE 13 0.889 5.976 -1.339 87 1HD1 ILE 13 HD11 ILE 13 3.551 8.697 -2.498 88 2HD1 ILE 13 HD12 ILE 13 2.994 9.901 -3.659 89 3HD1 ILE 13 HD13 ILE 13 2.695 8.189 -3.953 90 H ASP 14 HN ASP 14 0.808 8.663 1.619 91 HA ASP 14 HA ASP 14 1.054 6.206 2.823 92 1HB ASP 14 HB2 ASP 14 1.487 8.739 3.638 93 2HB ASP 14 HB1 ASP 14 0.035 8.375 4.565 94 H HIS 15 HN HIS 15 -1.838 8.136 2.389 95 HA HIS 15 HA HIS 15 -3.477 6.545 4.116 96 1HB HIS 15 HB2 HIS 15 -3.863 8.981 3.366 97 2HB HIS 15 HB1 HIS 15 -4.488 8.284 1.875 98 HD1 HIS 15 HD1 HIS 15 -5.404 6.077 4.539 99 HD2 HIS 15 HD2 HIS 15 -6.872 9.674 3.063 100 HE1 HIS 15 HE1 HIS 15 -7.761 6.245 5.400 101 HE2 HIS 15 HE2 HIS 15 -8.656 8.390 4.426 102 H GLU 16 HN GLU 16 -2.508 6.452 0.781 103 HA GLU 16 HA GLU 16 -4.544 4.536 0.047 104 1HB GLU 16 HB2 GLU 16 -2.136 5.269 -1.602 105 2HB GLU 16 HB1 GLU 16 -3.699 4.681 -2.156 106 1HG GLU 16 HG2 GLU 16 -4.739 6.742 -1.759 107 2HG GLU 16 HG1 GLU 16 -3.404 7.318 -0.760 108 H ILE 17 HN ILE 17 -1.154 4.558 0.904 109 HA ILE 17 HA ILE 17 -0.495 1.940 0.095 110 HB ILE 17 HB ILE 17 0.717 3.451 2.413 111 1HG1 ILE 17 HG12 ILE 17 1.866 3.509 -0.342 112 2HG1 ILE 17 HG11 ILE 17 0.529 4.587 0.033 113 1HG2 ILE 17 HG21 ILE 17 1.832 1.512 2.588 114 2HG2 ILE 17 HG22 ILE 17 2.725 2.091 1.181 115 3HG2 ILE 17 HG23 ILE 17 1.367 0.983 0.970 116 1HD1 ILE 17 HD11 ILE 17 2.515 4.713 2.096 117 2HD1 ILE 17 HD12 ILE 17 1.891 5.992 1.055 118 3HD1 ILE 17 HD13 ILE 17 3.243 4.998 0.515 119 H ALA 18 HN ALA 18 -2.015 3.254 2.954 120 HA ALA 18 HA ALA 18 -1.846 0.811 4.469 121 1HB ALA 18 HB1 ALA 18 -2.816 3.547 4.917 122 2HB ALA 18 HB2 ALA 18 -1.972 2.446 6.006 123 3HB ALA 18 HB3 ALA 18 -3.712 2.288 5.769 124 H ASP 19 HN ASP 19 -4.288 2.487 2.547 125 HA ASP 19 HA ASP 19 -6.535 1.007 3.210 126 1HB ASP 19 HB2 ASP 19 -5.678 2.591 0.854 127 2HB ASP 19 HB1 ASP 19 -7.012 1.470 0.597 128 H LEU 20 HN LEU 20 -4.034 0.300 0.803 129 HA LEU 20 HA LEU 20 -5.260 -2.058 -0.185 130 1HB LEU 20 HB2 LEU 20 -2.311 -1.482 -0.237 131 2HB LEU 20 HB1 LEU 20 -3.240 -2.454 -1.360 132 HG LEU 20 HG LEU 20 -3.182 0.541 -1.115 133 1HD1 LEU 20 HD11 LEU 20 -2.689 0.298 -3.573 134 2HD1 LEU 20 HD12 LEU 20 -2.510 -1.432 -3.280 135 3HD1 LEU 20 HD13 LEU 20 -1.437 -0.286 -2.478 136 1HD2 LEU 20 HD21 LEU 20 -4.965 0.693 -2.708 137 2HD2 LEU 20 HD22 LEU 20 -5.527 -0.271 -1.343 138 3HD2 LEU 20 HD23 LEU 20 -5.056 -1.063 -2.846 139 H GLN 21 HN GLN 21 -2.488 -1.597 2.010 140 HA GLN 21 HA GLN 21 -1.962 -4.229 2.614 141 1HB GLN 21 HB2 GLN 21 -0.725 -2.113 3.364 142 2HB GLN 21 HB1 GLN 21 -1.864 -2.062 4.702 143 1HG GLN 21 HG2 GLN 21 -0.846 -3.725 5.795 144 2HG GLN 21 HG1 GLN 21 -0.572 -4.659 4.324 145 1HE2 GLN 21 HE21 GLN 21 0.496 -1.531 5.630 146 2HE2 GLN 21 HE22 GLN 21 2.177 -1.783 5.318 147 H ALA 22 HN ALA 22 -4.506 -2.173 3.877 148 HA ALA 22 HA ALA 22 -5.309 -3.965 5.954 149 1HB ALA 22 HB1 ALA 22 -6.319 -1.435 4.802 150 2HB ALA 22 HB2 ALA 22 -6.065 -1.897 6.485 151 3HB ALA 22 HB3 ALA 22 -7.495 -2.461 5.622 152 H LYS 23 HN LYS 23 -6.053 -3.608 2.573 153 HA LYS 23 HA LYS 23 -8.450 -5.157 2.603 154 1HB LYS 23 HB2 LYS 23 -6.644 -4.054 0.503 155 2HB LYS 23 HB1 LYS 23 -7.758 -5.336 0.050 156 1HG LYS 23 HG2 LYS 23 -9.540 -3.986 0.127 157 2HG LYS 23 HG1 LYS 23 -8.985 -3.171 1.591 158 1HD LYS 23 HD2 LYS 23 -8.911 -1.488 -0.013 159 2HD LYS 23 HD1 LYS 23 -7.243 -2.062 0.039 160 1HE LYS 23 HE2 LYS 23 -9.267 -3.092 -1.933 161 2HE LYS 23 HE1 LYS 23 -8.235 -1.701 -2.262 162 1HZ LYS 23 HZ1 LYS 23 -7.194 -3.609 -3.174 163 2HZ LYS 23 HZ2 LYS 23 -7.375 -4.491 -1.741 164 3HZ LYS 23 HZ3 LYS 23 -6.306 -3.182 -1.798 165 H ARG 24 HN ARG 24 -5.040 -5.874 2.182 166 HA ARG 24 HA ARG 24 -5.378 -8.518 1.199 167 1HB ARG 24 HB2 ARG 24 -3.179 -6.801 2.025 168 2HB ARG 24 HB1 ARG 24 -2.928 -8.469 2.521 169 1HG ARG 24 HG2 ARG 24 -3.622 -8.973 0.040 170 2HG ARG 24 HG1 ARG 24 -3.103 -7.305 -0.205 171 1HD ARG 24 HD2 ARG 24 -0.986 -7.960 -0.230 172 2HD ARG 24 HD1 ARG 24 -1.158 -8.600 1.403 173 HE ARG 24 HE ARG 24 -2.083 -10.302 -0.763 174 1HH1 ARG 24 HH11 ARG 24 0.488 -9.525 1.471 175 2HH1 ARG 24 HH12 ARG 24 1.241 -11.078 1.332 176 1HH2 ARG 24 HH21 ARG 24 -1.090 -12.339 -0.944 177 2HH2 ARG 24 HH22 ARG 24 0.348 -12.673 -0.038 178 H THR 25 HN THR 25 -4.817 -7.202 4.448 179 HA THR 25 HA THR 25 -4.626 -9.662 5.792 180 HB THR 25 HB THR 25 -5.855 -7.428 7.270 181 HG1 THR 25 HG1 THR 25 -3.323 -7.172 6.025 182 1HG2 THR 25 HG21 THR 25 -3.751 -9.436 7.692 183 2HG2 THR 25 HG22 THR 25 -4.960 -8.797 8.805 184 3HG2 THR 25 HG23 THR 25 -3.500 -7.870 8.463 185 H ARG 26 HN ARG 26 -7.409 -7.442 5.543 186 HA ARG 26 HA ARG 26 -9.279 -8.928 6.905 187 1HB ARG 26 HB2 ARG 26 -10.989 -7.760 5.617 188 2HB ARG 26 HB1 ARG 26 -9.693 -6.658 6.062 189 1HG ARG 26 HG2 ARG 26 -8.765 -6.817 3.821 190 2HG ARG 26 HG1 ARG 26 -10.027 -7.964 3.369 191 1HD ARG 26 HD2 ARG 26 -11.505 -5.905 4.344 192 2HD ARG 26 HD1 ARG 26 -10.134 -5.042 3.649 193 HE ARG 26 HE ARG 26 -10.876 -5.611 1.556 194 1HH1 ARG 26 HH11 ARG 26 -12.544 -7.558 3.924 195 2HH1 ARG 26 HH12 ARG 26 -13.664 -8.214 2.779 196 1HH2 ARG 26 HH21 ARG 26 -12.349 -6.473 0.048 197 2HH2 ARG 26 HH22 ARG 26 -13.555 -7.599 0.578 198 H LEU 27 HN LEU 27 -8.316 -9.209 3.518 199 HA LEU 27 HA LEU 27 -10.184 -11.201 2.808 200 1HB LEU 27 HB2 LEU 27 -7.759 -10.024 1.644 201 2HB LEU 27 HB1 LEU 27 -8.026 -11.697 1.190 202 HG LEU 27 HG LEU 27 -10.273 -11.107 0.360 203 1HD1 LEU 27 HD11 LEU 27 -10.987 -8.833 0.183 204 2HD1 LEU 27 HD12 LEU 27 -9.464 -8.248 0.852 205 3HD1 LEU 27 HD13 LEU 27 -10.585 -9.152 1.871 206 1HD2 LEU 27 HD21 LEU 27 -9.354 -9.482 -1.483 207 2HD2 LEU 27 HD22 LEU 27 -8.785 -11.149 -1.384 208 3HD2 LEU 27 HD23 LEU 27 -7.804 -9.840 -0.723 209 H VAL 28 HN VAL 28 -6.950 -11.320 4.214 210 HA VAL 28 HA VAL 28 -6.528 -14.092 4.000 211 HB VAL 28 HB VAL 28 -5.547 -12.288 6.207 212 1HG1 VAL 28 HG11 VAL 28 -5.345 -15.000 6.045 213 2HG1 VAL 28 HG12 VAL 28 -4.214 -13.954 6.903 214 3HG1 VAL 28 HG13 VAL 28 -3.853 -14.483 5.261 215 1HG2 VAL 28 HG21 VAL 28 -5.015 -12.149 3.436 216 2HG2 VAL 28 HG22 VAL 28 -3.572 -12.802 4.210 217 3HG2 VAL 28 HG23 VAL 28 -4.233 -11.257 4.740 218 H GLN 29 HN GLN 29 -7.973 -12.135 6.574 219 HA GLN 29 HA GLN 29 -8.461 -14.113 8.451 220 1HB GLN 29 HB2 GLN 29 -9.423 -11.439 7.912 221 2HB GLN 29 HB1 GLN 29 -10.736 -12.456 8.490 222 1HG GLN 29 HG2 GLN 29 -9.866 -12.645 10.561 223 2HG GLN 29 HG1 GLN 29 -8.200 -12.628 9.984 224 1HE2 GLN 29 HE21 GLN 29 -7.160 -10.665 9.673 225 2HE2 GLN 29 HE22 GLN 29 -7.767 -9.185 10.326 226 H GLN 30 HN GLN 30 -10.090 -13.374 5.459 227 HA GLN 30 HA GLN 30 -12.381 -15.005 5.892 228 1HB GLN 30 HB2 GLN 30 -11.956 -13.111 4.138 229 2HB GLN 30 HB1 GLN 30 -11.289 -14.414 3.163 230 1HG GLN 30 HG2 GLN 30 -13.437 -14.442 2.429 231 2HG GLN 30 HG1 GLN 30 -13.567 -15.581 3.769 232 1HE2 GLN 30 HE21 GLN 30 -15.646 -13.982 2.573 233 2HE2 GLN 30 HE22 GLN 30 -16.283 -12.977 3.826 234 H HIS 31 HN HIS 31 -9.136 -15.573 4.704 235 HA HIS 31 HA HIS 31 -9.747 -18.439 4.637 236 1HB HIS 31 HB2 HIS 31 -8.509 -18.783 2.577 237 2HB HIS 31 HB1 HIS 31 -9.815 -17.636 2.302 238 HD1 HIS 31 HD1 HIS 31 -8.846 -14.994 2.685 239 HD2 HIS 31 HD2 HIS 31 -6.237 -17.951 1.387 240 HE1 HIS 31 HE1 HIS 31 -6.951 -13.781 1.573 241 HE2 HIS 31 HE2 HIS 31 -5.286 -15.582 1.008 242 HA PRO 32 HA PRO 32 -5.900 -17.437 7.058 243 1HB PRO 32 HB2 PRO 32 -6.540 -18.967 9.208 244 2HB PRO 32 HB1 PRO 32 -7.068 -17.290 9.033 245 1HG PRO 32 HG2 PRO 32 -8.573 -19.819 8.479 246 2HG PRO 32 HG1 PRO 32 -9.126 -18.343 9.293 247 1HD PRO 32 HD2 PRO 32 -9.717 -18.890 6.707 248 2HD PRO 32 HD1 PRO 32 -9.491 -17.234 7.304 249 H ARG 33 HN ARG 33 -4.728 -19.378 8.488 250 HA ARG 33 HA ARG 33 -3.468 -21.265 8.344 251 1HB ARG 33 HB2 ARG 33 -5.640 -22.401 6.586 252 2HB ARG 33 HB1 ARG 33 -4.505 -23.281 7.600 253 1HG ARG 33 HG2 ARG 33 -5.829 -23.129 9.377 254 2HG ARG 33 HG1 ARG 33 -6.088 -21.401 9.133 255 1HD ARG 33 HD2 ARG 33 -8.054 -21.723 8.094 256 2HD ARG 33 HD1 ARG 33 -7.455 -23.109 7.184 257 HE ARG 33 HE ARG 33 -7.721 -24.028 9.742 258 1HH1 ARG 33 HH11 ARG 33 -9.857 -22.512 7.436 259 2HH1 ARG 33 HH12 ARG 33 -11.273 -23.305 8.039 260 1HH2 ARG 33 HH21 ARG 33 -9.582 -25.072 10.536 261 2HH2 ARG 33 HH22 ARG 33 -11.118 -24.758 9.799 262 H CYS 1 HN CYS 1 -13.797 -26.098 2.245 263 HA CYS 1 HA CYS 1 -16.380 -25.132 1.415 264 1HB CYS 1 HB2 CYS 1 -15.259 -25.469 3.846 265 2HB CYS 1 HB1 CYS 1 -14.936 -23.756 3.607 266 HG CYS 1 HG CYS 1 -17.811 -24.949 3.647 267 H GLY 2 HN GLY 2 -13.114 -23.782 1.715 268 1HA GLY 2 HA2 GLY 2 -13.910 -21.674 -0.170 269 2HA GLY 2 HA1 GLY 2 -13.148 -21.214 1.345 270 H GLY 3 HN GLY 3 -12.663 -22.291 -1.858 271 1HA GLY 3 HA2 GLY 3 -10.108 -23.428 -1.698 272 2HA GLY 3 HA1 GLY 3 -10.768 -22.614 -3.108 273 H ASP 4 HN ASP 4 -8.510 -21.949 -3.410 274 HA ASP 4 HA ASP 4 -7.556 -19.893 -1.571 275 1HB ASP 4 HB2 ASP 4 -6.269 -21.118 -4.011 276 2HB ASP 4 HB1 ASP 4 -5.504 -19.944 -2.944 277 H ASN 5 HN ASN 5 -9.818 -19.709 -3.692 278 HA ASN 5 HA ASN 5 -9.141 -17.967 -5.730 279 1HB ASN 5 HB2 ASN 5 -11.474 -19.066 -4.860 280 2HB ASN 5 HB1 ASN 5 -11.712 -17.385 -4.390 281 1HD2 ASN 5 HD21 ASN 5 -10.300 -16.152 -6.458 282 2HD2 ASN 5 HD22 ASN 5 -11.163 -16.397 -7.933 283 H ILE 6 HN ILE 6 -9.545 -17.409 -2.334 284 HA ILE 6 HA ILE 6 -9.578 -14.540 -2.514 285 HB ILE 6 HB ILE 6 -8.979 -16.214 -0.081 286 1HG1 ILE 6 HG12 ILE 6 -11.697 -15.250 -0.195 287 2HG1 ILE 6 HG11 ILE 6 -11.350 -16.237 -1.611 288 1HG2 ILE 6 HG21 ILE 6 -9.758 -14.305 1.161 289 2HG2 ILE 6 HG22 ILE 6 -10.192 -13.467 -0.330 290 3HG2 ILE 6 HG23 ILE 6 -8.498 -13.795 0.036 291 1HD1 ILE 6 HD11 ILE 6 -10.295 -17.762 0.364 292 2HD1 ILE 6 HD12 ILE 6 -11.929 -17.932 -0.279 293 3HD1 ILE 6 HD13 ILE 6 -11.652 -17.002 1.194 294 H GLU 7 HN GLU 7 -7.247 -17.040 -1.612 295 HA GLU 7 HA GLU 7 -5.103 -15.438 -0.872 296 1HB GLU 7 HB2 GLU 7 -5.473 -18.082 -0.958 297 2HB GLU 7 HB1 GLU 7 -4.528 -17.907 -2.430 298 1HG GLU 7 HG2 GLU 7 -3.442 -16.514 -0.090 299 2HG GLU 7 HG1 GLU 7 -3.488 -18.270 0.039 300 H GLN 8 HN GLN 8 -6.315 -16.279 -4.030 301 HA GLN 8 HA GLN 8 -4.028 -15.291 -5.458 302 1HB GLN 8 HB2 GLN 8 -5.455 -17.035 -6.419 303 2HB GLN 8 HB1 GLN 8 -6.828 -15.937 -6.400 304 1HG GLN 8 HG2 GLN 8 -5.356 -14.435 -7.893 305 2HG GLN 8 HG1 GLN 8 -4.406 -15.897 -8.151 306 1HE2 GLN 8 HE21 GLN 8 -5.986 -14.347 -10.044 307 2HE2 GLN 8 HE22 GLN 8 -7.146 -15.440 -10.710 308 H LYS 9 HN LYS 9 -7.214 -14.100 -4.565 309 HA LYS 9 HA LYS 9 -7.159 -11.702 -6.030 310 1HB LYS 9 HB2 LYS 9 -9.036 -12.946 -4.549 311 2HB LYS 9 HB1 LYS 9 -8.542 -11.700 -3.410 312 1HG LYS 9 HG2 LYS 9 -8.843 -10.192 -5.602 313 2HG LYS 9 HG1 LYS 9 -10.008 -11.470 -5.958 314 1HD LYS 9 HD2 LYS 9 -9.995 -10.193 -3.257 315 2HD LYS 9 HD1 LYS 9 -10.746 -9.353 -4.616 316 1HE LYS 9 HE2 LYS 9 -12.226 -11.216 -5.006 317 2HE LYS 9 HE1 LYS 9 -11.411 -12.167 -3.765 318 1HZ LYS 9 HZ1 LYS 9 -12.442 -11.054 -2.106 319 2HZ LYS 9 HZ2 LYS 9 -13.618 -10.807 -3.295 320 3HZ LYS 9 HZ3 LYS 9 -12.498 -9.588 -2.949 321 H ILE 10 HN ILE 10 -5.995 -12.540 -2.808 322 HA ILE 10 HA ILE 10 -5.320 -9.875 -2.069 323 HB ILE 10 HB ILE 10 -3.861 -10.969 -0.347 324 1HG1 ILE 10 HG12 ILE 10 -5.158 -13.516 -1.330 325 2HG1 ILE 10 HG11 ILE 10 -3.479 -13.075 -1.628 326 1HG2 ILE 10 HG21 ILE 10 -5.789 -11.823 0.963 327 2HG2 ILE 10 HG22 ILE 10 -6.772 -11.718 -0.497 328 3HG2 ILE 10 HG23 ILE 10 -6.079 -10.257 0.208 329 1HD1 ILE 10 HD11 ILE 10 -3.165 -12.978 0.851 330 2HD1 ILE 10 HD12 ILE 10 -3.504 -14.578 0.193 331 3HD1 ILE 10 HD13 ILE 10 -4.778 -13.673 1.009 332 H ASP 11 HN ASP 11 -3.472 -12.579 -3.449 333 HA ASP 11 HA ASP 11 -0.920 -11.544 -3.353 334 1HB ASP 11 HB2 ASP 11 -1.657 -13.801 -4.273 335 2HB ASP 11 HB1 ASP 11 -2.024 -12.966 -5.779 336 H ASP 12 HN ASP 12 -3.572 -10.732 -5.467 337 HA ASP 12 HA ASP 12 -2.105 -9.109 -7.285 338 1HB ASP 12 HB2 ASP 12 -4.627 -10.079 -7.289 339 2HB ASP 12 HB1 ASP 12 -4.945 -8.436 -6.744 340 H ILE 13 HN ILE 13 -4.004 -8.456 -4.380 341 HA ILE 13 HA ILE 13 -3.694 -5.670 -4.335 342 HB ILE 13 HB ILE 13 -3.909 -7.459 -1.913 343 1HG1 ILE 13 HG12 ILE 13 -6.077 -6.381 -3.724 344 2HG1 ILE 13 HG11 ILE 13 -5.669 -8.073 -3.460 345 1HG2 ILE 13 HG21 ILE 13 -3.357 -5.107 -1.471 346 2HG2 ILE 13 HG22 ILE 13 -4.958 -5.535 -0.867 347 3HG2 ILE 13 HG23 ILE 13 -4.797 -4.612 -2.361 348 1HD1 ILE 13 HD11 ILE 13 -7.576 -6.547 -2.115 349 2HD1 ILE 13 HD12 ILE 13 -6.266 -6.802 -0.962 350 3HD1 ILE 13 HD13 ILE 13 -7.043 -8.183 -1.735 351 H ASP 14 HN ASP 14 -1.755 -8.274 -2.892 352 HA ASP 14 HA ASP 14 0.085 -6.823 -1.449 353 1HB ASP 14 HB2 ASP 14 -0.179 -9.435 -2.026 354 2HB ASP 14 HB1 ASP 14 1.178 -9.050 -3.078 355 H HIS 15 HN HIS 15 -0.106 -7.273 -4.920 356 HA HIS 15 HA HIS 15 2.458 -6.132 -5.477 357 1HB HIS 15 HB2 HIS 15 1.026 -7.700 -6.964 358 2HB HIS 15 HB1 HIS 15 0.174 -6.232 -7.431 359 HD1 HIS 15 HD1 HIS 15 3.578 -5.300 -6.928 360 HD2 HIS 15 HD2 HIS 15 1.481 -7.194 -9.975 361 HE1 HIS 15 HE1 HIS 15 5.021 -5.079 -8.976 362 HE2 HIS 15 HE2 HIS 15 3.694 -6.159 -10.825 363 H GLU 16 HN GLU 16 -0.764 -4.940 -4.986 364 HA GLU 16 HA GLU 16 -0.176 -2.327 -6.071 365 1HB GLU 16 HB2 GLU 16 -2.586 -3.049 -4.422 366 2HB GLU 16 HB1 GLU 16 -2.435 -1.783 -5.635 367 1HG GLU 16 HG2 GLU 16 -2.494 -3.322 -7.404 368 2HG GLU 16 HG1 GLU 16 -2.192 -4.689 -6.333 369 H ILE 17 HN ILE 17 -0.392 -3.872 -2.941 370 HA ILE 17 HA ILE 17 -0.389 -1.564 -1.328 371 HB ILE 17 HB ILE 17 0.810 -4.240 -0.608 372 1HG1 ILE 17 HG12 ILE 17 -2.000 -3.492 0.062 373 2HG1 ILE 17 HG11 ILE 17 -1.656 -4.094 -1.553 374 1HG2 ILE 17 HG21 ILE 17 0.200 -1.779 0.853 375 2HG2 ILE 17 HG22 ILE 17 1.308 -3.091 1.251 376 3HG2 ILE 17 HG23 ILE 17 -0.411 -3.246 1.618 377 1HD1 ILE 17 HD11 ILE 17 -2.123 -5.569 0.778 378 2HD1 ILE 17 HD12 ILE 17 -0.416 -5.785 0.387 379 3HD1 ILE 17 HD13 ILE 17 -1.652 -6.171 -0.811 380 H ALA 18 HN ALA 18 2.142 -3.374 -2.912 381 HA ALA 18 HA ALA 18 4.294 -2.059 -1.525 382 1HB ALA 18 HB1 ALA 18 5.143 -4.038 -2.163 383 2HB ALA 18 HB2 ALA 18 5.470 -3.211 -3.686 384 3HB ALA 18 HB3 ALA 18 4.019 -4.199 -3.512 385 H ASP 19 HN ASP 19 2.707 -1.781 -4.668 386 HA ASP 19 HA ASP 19 4.458 -0.059 -5.951 387 1HB ASP 19 HB2 ASP 19 2.155 -1.178 -6.680 388 2HB ASP 19 HB1 ASP 19 1.536 0.422 -6.281 389 H LEU 20 HN LEU 20 1.823 0.708 -3.711 390 HA LEU 20 HA LEU 20 2.101 3.523 -3.908 391 1HB LEU 20 HB2 LEU 20 1.006 2.045 -1.531 392 2HB LEU 20 HB1 LEU 20 0.606 3.663 -2.072 393 HG LEU 20 HG LEU 20 -0.235 1.043 -3.280 394 1HD1 LEU 20 HD11 LEU 20 -1.688 1.731 -1.562 395 2HD1 LEU 20 HD12 LEU 20 -2.479 2.194 -3.069 396 3HD1 LEU 20 HD13 LEU 20 -1.653 3.410 -2.096 397 1HD2 LEU 20 HD21 LEU 20 -0.631 3.770 -4.502 398 2HD2 LEU 20 HD22 LEU 20 -1.188 2.224 -5.142 399 3HD2 LEU 20 HD23 LEU 20 0.538 2.579 -5.071 400 H GLN 21 HN GLN 21 3.144 1.218 -1.399 401 HA GLN 21 HA GLN 21 4.411 2.964 0.309 402 1HB GLN 21 HB2 GLN 21 4.034 0.433 0.535 403 2HB GLN 21 HB1 GLN 21 5.559 0.255 -0.323 404 1HG GLN 21 HG2 GLN 21 6.355 1.952 1.564 405 2HG GLN 21 HG1 GLN 21 5.023 1.190 2.430 406 1HE2 GLN 21 HE21 GLN 21 8.227 0.879 1.324 407 2HE2 GLN 21 HE22 GLN 21 8.516 -0.728 1.889 408 H ALA 22 HN ALA 22 5.602 1.617 -2.708 409 HA ALA 22 HA ALA 22 8.287 2.524 -2.393 410 1HB ALA 22 HB1 ALA 22 6.684 1.302 -4.559 411 2HB ALA 22 HB2 ALA 22 8.271 0.859 -3.931 412 3HB ALA 22 HB3 ALA 22 8.109 2.221 -5.040 413 H LYS 23 HN LYS 23 5.350 3.927 -3.650 414 HA LYS 23 HA LYS 23 6.585 6.076 -5.050 415 1HB LYS 23 HB2 LYS 23 3.810 5.408 -4.186 416 2HB LYS 23 HB1 LYS 23 4.160 7.065 -4.659 417 1HG LYS 23 HG2 LYS 23 4.336 6.547 -6.836 418 2HG LYS 23 HG1 LYS 23 5.137 5.008 -6.515 419 1HD LYS 23 HD2 LYS 23 3.145 4.230 -7.308 420 2HD LYS 23 HD1 LYS 23 2.735 4.371 -5.597 421 1HE LYS 23 HE2 LYS 23 1.624 6.445 -5.953 422 2HE LYS 23 HE1 LYS 23 2.238 6.562 -7.601 423 1HZ LYS 23 HZ1 LYS 23 0.311 4.534 -6.604 424 2HZ LYS 23 HZ2 LYS 23 0.914 4.616 -8.182 425 3HZ LYS 23 HZ3 LYS 23 -0.064 5.860 -7.585 426 H ARG 24 HN ARG 24 5.474 5.606 -1.756 427 HA ARG 24 HA ARG 24 5.596 8.344 -0.988 428 1HB ARG 24 HB2 ARG 24 5.031 5.794 0.271 429 2HB ARG 24 HB1 ARG 24 6.003 6.819 1.317 430 1HG ARG 24 HG2 ARG 24 4.218 8.629 0.630 431 2HG ARG 24 HG1 ARG 24 3.233 7.198 0.327 432 1HD ARG 24 HD2 ARG 24 2.842 6.973 2.498 433 2HD ARG 24 HD1 ARG 24 4.572 6.879 2.821 434 HE ARG 24 HE ARG 24 3.447 9.538 2.480 435 1HH1 ARG 24 HH11 ARG 24 4.505 7.049 4.693 436 2HH1 ARG 24 HH12 ARG 24 4.688 8.141 6.024 437 1HH2 ARG 24 HH21 ARG 24 3.688 10.968 4.233 438 2HH2 ARG 24 HH22 ARG 24 4.224 10.362 5.765 439 H THR 25 HN THR 25 7.860 5.629 -0.706 440 HA THR 25 HA THR 25 9.832 6.968 0.782 441 HB THR 25 HB THR 25 10.785 4.971 -1.159 442 HG1 THR 25 HG1 THR 25 8.845 4.273 0.787 443 1HG2 THR 25 HG21 THR 25 11.687 3.892 0.824 444 2HG2 THR 25 HG22 THR 25 10.856 5.066 1.845 445 3HG2 THR 25 HG23 THR 25 12.139 5.595 0.755 446 H ARG 26 HN ARG 26 9.758 6.274 -2.718 447 HA ARG 26 HA ARG 26 12.018 7.641 -3.473 448 1HB ARG 26 HB2 ARG 26 11.028 7.848 -5.696 449 2HB ARG 26 HB1 ARG 26 10.699 6.262 -5.012 450 1HG ARG 26 HG2 ARG 26 8.465 6.632 -4.862 451 2HG ARG 26 HG1 ARG 26 8.653 8.368 -4.614 452 1HD ARG 26 HD2 ARG 26 7.649 7.632 -6.826 453 2HD ARG 26 HD1 ARG 26 8.995 8.768 -6.903 454 HE ARG 26 HE ARG 26 9.775 6.004 -7.109 455 1HH1 ARG 26 HH11 ARG 26 8.722 8.831 -8.866 456 2HH1 ARG 26 HH12 ARG 26 9.413 8.309 -10.365 457 1HH2 ARG 26 HH21 ARG 26 10.683 5.317 -9.081 458 2HH2 ARG 26 HH22 ARG 26 10.525 6.315 -10.488 459 H LEU 27 HN LEU 27 8.839 8.923 -2.736 460 HA LEU 27 HA LEU 27 9.378 11.577 -3.621 461 1HB LEU 27 HB2 LEU 27 7.276 10.294 -1.918 462 2HB LEU 27 HB1 LEU 27 7.410 12.042 -1.953 463 HG LEU 27 HG LEU 27 7.267 10.632 -4.566 464 1HD1 LEU 27 HD11 LEU 27 5.475 9.838 -2.722 465 2HD1 LEU 27 HD12 LEU 27 5.115 9.974 -4.442 466 3HD1 LEU 27 HD13 LEU 27 4.666 11.277 -3.343 467 1HD2 LEU 27 HD21 LEU 27 7.431 13.202 -3.959 468 2HD2 LEU 27 HD22 LEU 27 5.681 13.029 -3.819 469 3HD2 LEU 27 HD23 LEU 27 6.489 12.632 -5.335 470 H VAL 28 HN VAL 28 9.642 9.864 -0.544 471 HA VAL 28 HA VAL 28 10.246 12.075 1.083 472 HB VAL 28 HB VAL 28 11.316 9.278 1.419 473 1HG1 VAL 28 HG11 VAL 28 11.274 11.701 3.094 474 2HG1 VAL 28 HG12 VAL 28 12.401 10.345 3.084 475 3HG1 VAL 28 HG13 VAL 28 10.850 10.196 3.910 476 1HG2 VAL 28 HG21 VAL 28 9.096 9.653 3.089 477 2HG2 VAL 28 HG22 VAL 28 9.217 8.591 1.689 478 3HG2 VAL 28 HG23 VAL 28 8.606 10.234 1.498 479 H GLN 29 HN GLN 29 12.320 9.868 -0.749 480 HA GLN 29 HA GLN 29 14.808 10.842 0.000 481 1HB GLN 29 HB2 GLN 29 13.728 9.422 -2.369 482 2HB GLN 29 HB1 GLN 29 15.269 10.239 -2.592 483 1HG GLN 29 HG2 GLN 29 16.335 8.592 -1.578 484 2HG GLN 29 HG1 GLN 29 15.334 8.782 -0.140 485 1HE2 GLN 29 HE21 GLN 29 14.017 7.179 0.380 486 2HE2 GLN 29 HE22 GLN 29 13.579 5.859 -0.646 487 H GLN 30 HN GLN 30 12.452 12.077 -2.271 488 HA GLN 30 HA GLN 30 14.077 14.052 -3.476 489 1HB GLN 30 HB2 GLN 30 11.818 13.182 -4.282 490 2HB GLN 30 HB1 GLN 30 11.093 14.244 -3.082 491 1HG GLN 30 HG2 GLN 30 12.307 16.146 -4.177 492 2HG GLN 30 HG1 GLN 30 12.748 15.025 -5.464 493 1HE2 GLN 30 HE21 GLN 30 11.579 16.605 -6.783 494 2HE2 GLN 30 HE22 GLN 30 9.866 16.447 -6.940 495 H HIS 31 HN HIS 31 12.268 13.906 -0.484 496 HA HIS 31 HA HIS 31 13.448 16.469 0.281 497 1HB HIS 31 HB2 HIS 31 11.361 17.307 1.228 498 2HB HIS 31 HB1 HIS 31 11.188 17.026 -0.501 499 HD1 HIS 31 HD1 HIS 31 10.116 14.494 -1.003 500 HD2 HIS 31 HD2 HIS 31 9.285 16.305 2.638 501 HE1 HIS 31 HE1 HIS 31 8.041 13.371 -0.150 502 HE2 HIS 31 HE2 HIS 31 7.703 14.326 2.154 503 HA PRO 32 HA PRO 32 13.835 13.222 3.567 504 1HB PRO 32 HB2 PRO 32 16.441 13.712 4.123 505 2HB PRO 32 HB1 PRO 32 15.930 12.634 2.818 506 1HG PRO 32 HG2 PRO 32 16.817 15.490 2.678 507 2HG PRO 32 HG1 PRO 32 17.245 14.132 1.619 508 1HD PRO 32 HD2 PRO 32 15.374 15.979 0.953 509 2HD PRO 32 HD1 PRO 32 15.285 14.289 0.419 510 H ARG 33 HN ARG 33 14.751 16.603 3.404 511 HA ARG 33 HA ARG 33 14.380 16.826 6.317 512 1HB ARG 33 HB2 ARG 33 15.914 18.586 4.399 513 2HB ARG 33 HB1 ARG 33 15.625 18.992 6.085 514 1HG ARG 33 HG2 ARG 33 17.660 18.050 6.328 515 2HG ARG 33 HG1 ARG 33 16.698 16.573 6.422 516 1HD ARG 33 HD2 ARG 33 17.571 15.777 4.531 517 2HD ARG 33 HD1 ARG 33 17.311 17.300 3.682 518 HE ARG 33 HE ARG 33 19.758 16.358 4.761 519 1HH1 ARG 33 HH11 ARG 33 17.908 19.275 4.265 520 2HH1 ARG 33 HH12 ARG 33 19.303 20.300 4.215 521 1HH2 ARG 33 HH21 ARG 33 21.593 17.704 4.696 522 2HH2 ARG 33 HH22 ARG 33 21.396 19.408 4.459 Start of MODEL 22 1 H CYS 1 HT1 CYS 1 11.462 28.181 -5.237 2 HA CYS 1 HA CYS 1 9.313 28.861 -4.236 3 1HB CYS 1 HB2 CYS 1 9.802 27.631 -6.906 4 2HB CYS 1 HB1 CYS 1 8.148 28.082 -6.509 5 HG CYS 1 HG CYS 1 8.912 30.551 -6.318 6 H GLY 2 HN GLY 2 9.708 26.475 -2.783 7 1HA GLY 2 HA2 GLY 2 6.989 25.481 -2.781 8 2HA GLY 2 HA1 GLY 2 8.199 24.280 -3.207 9 H GLY 3 HN GLY 3 6.352 24.681 -0.831 10 1HA GLY 3 HA2 GLY 3 8.453 24.409 1.228 11 2HA GLY 3 HA1 GLY 3 6.954 25.271 1.541 12 H ASP 4 HN ASP 4 8.452 22.158 1.144 13 HA ASP 4 HA ASP 4 7.829 20.065 1.784 14 1HB ASP 4 HB2 ASP 4 5.636 21.505 3.277 15 2HB ASP 4 HB1 ASP 4 6.125 19.832 3.525 16 H ASN 5 HN ASN 5 6.435 21.637 -0.487 17 HA ASN 5 HA ASN 5 3.834 20.730 -0.849 18 1HB ASN 5 HB2 ASN 5 5.046 22.418 -2.277 19 2HB ASN 5 HB1 ASN 5 5.877 21.074 -3.053 20 1HD2 ASN 5 HD21 ASN 5 2.518 21.615 -2.045 21 2HD2 ASN 5 HD22 ASN 5 1.822 21.287 -3.592 22 H ILE 6 HN ILE 6 6.856 19.091 -1.103 23 HA ILE 6 HA ILE 6 5.868 16.832 -2.583 24 HB ILE 6 HB ILE 6 8.380 16.959 -0.926 25 1HG1 ILE 6 HG12 ILE 6 8.051 17.772 -3.822 26 2HG1 ILE 6 HG11 ILE 6 8.254 18.896 -2.482 27 1HG2 ILE 6 HG21 ILE 6 9.191 15.240 -2.357 28 2HG2 ILE 6 HG22 ILE 6 7.798 15.396 -3.429 29 3HG2 ILE 6 HG23 ILE 6 7.589 14.761 -1.798 30 1HD1 ILE 6 HD11 ILE 6 10.349 18.628 -3.589 31 2HD1 ILE 6 HD12 ILE 6 10.243 16.872 -3.470 32 3HD1 ILE 6 HD13 ILE 6 10.449 17.843 -2.013 33 H GLU 7 HN GLU 7 6.731 17.536 0.770 34 HA GLU 7 HA GLU 7 6.270 15.035 1.893 35 1HB GLU 7 HB2 GLU 7 7.318 17.012 3.030 36 2HB GLU 7 HB1 GLU 7 5.706 17.691 3.215 37 1HG GLU 7 HG2 GLU 7 5.211 16.366 4.942 38 2HG GLU 7 HG1 GLU 7 5.962 14.953 4.201 39 H GLN 8 HN GLN 8 4.035 17.447 0.796 40 HA GLN 8 HA GLN 8 1.766 16.384 2.205 41 1HB GLN 8 HB2 GLN 8 2.264 18.780 1.049 42 2HB GLN 8 HB1 GLN 8 1.334 18.013 -0.229 43 1HG GLN 8 HG2 GLN 8 -0.327 17.449 1.691 44 2HG GLN 8 HG1 GLN 8 0.497 18.762 2.532 45 1HE2 GLN 8 HE21 GLN 8 -0.431 20.656 2.317 46 2HE2 GLN 8 HE22 GLN 8 -1.364 21.192 0.966 47 H LYS 9 HN LYS 9 3.155 16.115 -1.011 48 HA LYS 9 HA LYS 9 1.086 14.711 -2.263 49 1HB LYS 9 HB2 LYS 9 3.275 15.743 -3.231 50 2HB LYS 9 HB1 LYS 9 3.969 14.165 -2.884 51 1HG LYS 9 HG2 LYS 9 1.776 13.390 -4.204 52 2HG LYS 9 HG1 LYS 9 2.021 14.971 -4.948 53 1HD LYS 9 HD2 LYS 9 4.201 12.909 -4.694 54 2HD LYS 9 HD1 LYS 9 3.148 13.033 -6.104 55 1HE LYS 9 HE2 LYS 9 4.801 15.321 -5.056 56 2HE LYS 9 HE1 LYS 9 5.365 14.206 -6.300 57 1HZ LYS 9 HZ1 LYS 9 2.766 15.423 -6.757 58 2HZ LYS 9 HZ2 LYS 9 4.022 15.110 -7.846 59 3HZ LYS 9 HZ3 LYS 9 4.094 16.468 -6.840 60 H ILE 10 HN ILE 10 3.784 13.588 -0.280 61 HA ILE 10 HA ILE 10 3.304 10.824 -0.738 62 HB ILE 10 HB ILE 10 4.649 10.482 1.363 63 1HG1 ILE 10 HG12 ILE 10 5.149 13.454 1.141 64 2HG1 ILE 10 HG11 ILE 10 4.093 12.722 2.345 65 1HG2 ILE 10 HG21 ILE 10 5.537 11.729 -1.151 66 2HG2 ILE 10 HG22 ILE 10 6.007 10.198 -0.413 67 3HG2 ILE 10 HG23 ILE 10 6.714 11.709 0.161 68 1HD1 ILE 10 HD11 ILE 10 6.272 13.209 3.277 69 2HD1 ILE 10 HD12 ILE 10 7.040 12.214 2.038 70 3HD1 ILE 10 HD13 ILE 10 5.984 11.469 3.239 71 H ASP 11 HN ASP 11 2.329 13.072 1.833 72 HA ASP 11 HA ASP 11 1.175 11.343 3.629 73 1HB ASP 11 HB2 ASP 11 1.266 14.033 3.426 74 2HB ASP 11 HB1 ASP 11 -0.419 13.766 2.993 75 H ASP 12 HN ASP 12 -0.010 12.421 0.530 76 HA ASP 12 HA ASP 12 -2.640 11.362 0.760 77 1HB ASP 12 HB2 ASP 12 -0.933 12.419 -1.432 78 2HB ASP 12 HB1 ASP 12 -2.248 11.347 -1.906 79 H ILE 13 HN ILE 13 0.338 10.170 -0.754 80 HA ILE 13 HA ILE 13 -0.655 7.702 -1.631 81 HB ILE 13 HB ILE 13 2.167 8.266 -0.710 82 1HG1 ILE 13 HG12 ILE 13 0.892 8.681 -3.424 83 2HG1 ILE 13 HG11 ILE 13 1.454 9.947 -2.338 84 1HG2 ILE 13 HG21 ILE 13 1.785 6.481 -2.974 85 2HG2 ILE 13 HG22 ILE 13 1.019 5.890 -1.500 86 3HG2 ILE 13 HG23 ILE 13 2.743 6.265 -1.509 87 1HD1 ILE 13 HD11 ILE 13 3.735 9.220 -2.610 88 2HD1 ILE 13 HD12 ILE 13 3.004 9.512 -4.189 89 3HD1 ILE 13 HD13 ILE 13 3.211 7.861 -3.604 90 H ASP 14 HN ASP 14 0.985 8.588 1.399 91 HA ASP 14 HA ASP 14 1.170 6.145 2.630 92 1HB ASP 14 HB2 ASP 14 1.638 8.702 3.406 93 2HB ASP 14 HB1 ASP 14 0.219 8.329 4.379 94 H HIS 15 HN HIS 15 -1.681 8.127 2.166 95 HA HIS 15 HA HIS 15 -3.345 6.610 3.940 96 1HB HIS 15 HB2 HIS 15 -3.656 9.048 3.089 97 2HB HIS 15 HB1 HIS 15 -4.381 8.291 1.675 98 HD1 HIS 15 HD1 HIS 15 -5.500 6.022 3.949 99 HD2 HIS 15 HD2 HIS 15 -6.366 10.057 3.465 100 HE1 HIS 15 HE1 HIS 15 -7.725 6.371 5.067 101 HE2 HIS 15 HE2 HIS 15 -8.185 8.838 4.840 102 H GLU 16 HN GLU 16 -2.403 6.435 0.602 103 HA GLU 16 HA GLU 16 -4.479 4.546 -0.088 104 1HB GLU 16 HB2 GLU 16 -2.059 5.213 -1.752 105 2HB GLU 16 HB1 GLU 16 -3.627 4.629 -2.297 106 1HG GLU 16 HG2 GLU 16 -4.648 6.707 -1.939 107 2HG GLU 16 HG1 GLU 16 -3.307 7.289 -0.952 108 H ILE 17 HN ILE 17 -1.074 4.526 0.722 109 HA ILE 17 HA ILE 17 -0.465 1.886 -0.028 110 HB ILE 17 HB ILE 17 0.778 3.413 2.262 111 1HG1 ILE 17 HG12 ILE 17 1.913 3.413 -0.502 112 2HG1 ILE 17 HG11 ILE 17 0.603 4.524 -0.129 113 1HG2 ILE 17 HG21 ILE 17 1.392 0.919 0.845 114 2HG2 ILE 17 HG22 ILE 17 1.852 1.452 2.462 115 3HG2 ILE 17 HG23 ILE 17 2.764 2.008 1.058 116 1HD1 ILE 17 HD11 ILE 17 3.385 4.746 0.455 117 2HD1 ILE 17 HD12 ILE 17 2.465 4.757 1.959 118 3HD1 ILE 17 HD13 ILE 17 2.097 5.928 0.691 119 H ALA 18 HN ALA 18 -1.937 3.272 2.827 120 HA ALA 18 HA ALA 18 -1.809 0.839 4.365 121 1HB ALA 18 HB1 ALA 18 -2.559 3.604 4.822 122 2HB ALA 18 HB2 ALA 18 -1.963 2.391 5.957 123 3HB ALA 18 HB3 ALA 18 -3.684 2.475 5.579 124 H ASP 19 HN ASP 19 -4.221 2.544 2.435 125 HA ASP 19 HA ASP 19 -6.507 1.148 3.137 126 1HB ASP 19 HB2 ASP 19 -5.609 2.610 0.708 127 2HB ASP 19 HB1 ASP 19 -7.011 1.558 0.538 128 H LEU 20 HN LEU 20 -4.019 0.294 0.768 129 HA LEU 20 HA LEU 20 -5.327 -2.062 -0.142 130 1HB LEU 20 HB2 LEU 20 -2.367 -1.574 -0.271 131 2HB LEU 20 HB1 LEU 20 -3.359 -2.522 -1.361 132 HG LEU 20 HG LEU 20 -3.203 0.474 -1.147 133 1HD1 LEU 20 HD11 LEU 20 -2.747 0.184 -3.614 134 2HD1 LEU 20 HD12 LEU 20 -2.580 -1.541 -3.285 135 3HD1 LEU 20 HD13 LEU 20 -1.490 -0.388 -2.516 136 1HD2 LEU 20 HD21 LEU 20 -4.998 0.666 -2.707 137 2HD2 LEU 20 HD22 LEU 20 -5.570 -0.306 -1.352 138 3HD2 LEU 20 HD23 LEU 20 -5.120 -1.086 -2.868 139 H GLN 21 HN GLN 21 -2.596 -1.524 2.075 140 HA GLN 21 HA GLN 21 -1.985 -4.112 2.740 141 1HB GLN 21 HB2 GLN 21 -1.141 -1.704 3.608 142 2HB GLN 21 HB1 GLN 21 -2.070 -2.213 5.010 143 1HG GLN 21 HG2 GLN 21 -0.064 -4.059 3.797 144 2HG GLN 21 HG1 GLN 21 0.455 -2.760 4.869 145 1HE2 GLN 21 HE21 GLN 21 0.423 -5.744 5.113 146 2HE2 GLN 21 HE22 GLN 21 -0.371 -6.051 6.617 147 H ALA 22 HN ALA 22 -4.543 -2.098 4.123 148 HA ALA 22 HA ALA 22 -5.402 -3.926 6.085 149 1HB ALA 22 HB1 ALA 22 -7.656 -2.569 5.618 150 2HB ALA 22 HB2 ALA 22 -6.510 -1.493 4.820 151 3HB ALA 22 HB3 ALA 22 -6.304 -1.893 6.525 152 H LYS 23 HN LYS 23 -6.295 -3.473 2.710 153 HA LYS 23 HA LYS 23 -8.497 -5.202 2.627 154 1HB LYS 23 HB2 LYS 23 -6.704 -3.925 0.686 155 2HB LYS 23 HB1 LYS 23 -7.381 -5.449 0.129 156 1HG LYS 23 HG2 LYS 23 -8.770 -3.607 -0.579 157 2HG LYS 23 HG1 LYS 23 -9.637 -4.603 0.591 158 1HD LYS 23 HD2 LYS 23 -9.955 -2.829 1.890 159 2HD LYS 23 HD1 LYS 23 -8.212 -2.584 2.008 160 1HE LYS 23 HE2 LYS 23 -8.216 -0.916 0.491 161 2HE LYS 23 HE1 LYS 23 -9.432 -1.700 -0.517 162 1HZ LYS 23 HZ1 LYS 23 -9.970 0.481 0.796 163 2HZ LYS 23 HZ2 LYS 23 -10.265 -0.595 2.067 164 3HZ LYS 23 HZ3 LYS 23 -11.136 -0.734 0.624 165 H ARG 24 HN ARG 24 -5.046 -5.817 2.416 166 HA ARG 24 HA ARG 24 -5.301 -8.546 1.604 167 1HB ARG 24 HB2 ARG 24 -3.152 -6.687 2.232 168 2HB ARG 24 HB1 ARG 24 -2.828 -8.299 2.854 169 1HG ARG 24 HG2 ARG 24 -3.566 -9.018 0.432 170 2HG ARG 24 HG1 ARG 24 -3.092 -7.362 0.051 171 1HD ARG 24 HD2 ARG 24 -0.966 -7.989 0.011 172 2HD ARG 24 HD1 ARG 24 -1.080 -8.458 1.706 173 HE ARG 24 HE ARG 24 -1.979 -10.376 -0.300 174 1HH1 ARG 24 HH11 ARG 24 0.487 -9.395 1.975 175 2HH1 ARG 24 HH12 ARG 24 1.233 -10.955 2.022 176 1HH2 ARG 24 HH21 ARG 24 -0.993 -12.422 -0.235 177 2HH2 ARG 24 HH22 ARG 24 0.396 -12.672 0.769 178 H THR 25 HN THR 25 -4.756 -6.926 4.711 179 HA THR 25 HA THR 25 -4.417 -9.245 6.263 180 HB THR 25 HB THR 25 -5.735 -6.915 7.522 181 HG1 THR 25 HG1 THR 25 -3.198 -6.752 6.274 182 1HG2 THR 25 HG21 THR 25 -4.095 -8.998 8.376 183 2HG2 THR 25 HG22 THR 25 -4.659 -7.617 9.316 184 3HG2 THR 25 HG23 THR 25 -3.108 -7.540 8.480 185 H ARG 26 HN ARG 26 -7.313 -7.182 5.912 186 HA ARG 26 HA ARG 26 -9.068 -8.681 7.413 187 1HB ARG 26 HB2 ARG 26 -10.863 -7.764 5.864 188 2HB ARG 26 HB1 ARG 26 -9.822 -6.581 6.643 189 1HG ARG 26 HG2 ARG 26 -9.279 -5.737 4.678 190 2HG ARG 26 HG1 ARG 26 -8.649 -7.299 4.156 191 1HD ARG 26 HD2 ARG 26 -10.340 -6.572 2.603 192 2HD ARG 26 HD1 ARG 26 -10.945 -7.959 3.508 193 HE ARG 26 HE ARG 26 -11.869 -5.850 4.925 194 1HH1 ARG 26 HH11 ARG 26 -12.038 -6.708 1.546 195 2HH1 ARG 26 HH12 ARG 26 -13.556 -5.915 1.293 196 1HH2 ARG 26 HH21 ARG 26 -13.866 -4.808 4.592 197 2HH2 ARG 26 HH22 ARG 26 -14.594 -4.836 3.021 198 H LEU 27 HN LEU 27 -8.113 -9.143 4.048 199 HA LEU 27 HA LEU 27 -9.917 -11.244 3.483 200 1HB LEU 27 HB2 LEU 27 -7.510 -10.088 2.231 201 2HB LEU 27 HB1 LEU 27 -7.794 -11.779 1.864 202 HG LEU 27 HG LEU 27 -10.133 -11.115 1.153 203 1HD1 LEU 27 HD11 LEU 27 -10.831 -8.991 1.169 204 2HD1 LEU 27 HD12 LEU 27 -9.274 -8.372 0.620 205 3HD1 LEU 27 HD13 LEU 27 -9.528 -8.729 2.327 206 1HD2 LEU 27 HD21 LEU 27 -9.349 -10.216 -1.030 207 2HD2 LEU 27 HD22 LEU 27 -8.469 -11.647 -0.491 208 3HD2 LEU 27 HD23 LEU 27 -7.737 -10.050 -0.334 209 H VAL 28 HN VAL 28 -6.679 -11.122 4.868 210 HA VAL 28 HA VAL 28 -6.148 -13.889 4.854 211 HB VAL 28 HB VAL 28 -5.197 -11.875 6.889 212 1HG1 VAL 28 HG11 VAL 28 -3.784 -13.426 7.688 213 2HG1 VAL 28 HG12 VAL 28 -3.446 -14.086 6.088 214 3HG1 VAL 28 HG13 VAL 28 -4.901 -14.577 6.955 215 1HG2 VAL 28 HG21 VAL 28 -4.706 -11.965 4.100 216 2HG2 VAL 28 HG22 VAL 28 -3.228 -12.470 4.917 217 3HG2 VAL 28 HG23 VAL 28 -3.964 -10.916 5.308 218 H GLN 29 HN GLN 29 -7.662 -11.772 7.249 219 HA GLN 29 HA GLN 29 -8.038 -13.575 9.318 220 1HB GLN 29 HB2 GLN 29 -9.355 -11.086 8.422 221 2HB GLN 29 HB1 GLN 29 -10.336 -12.122 9.451 222 1HG GLN 29 HG2 GLN 29 -9.330 -10.800 11.011 223 2HG GLN 29 HG1 GLN 29 -8.200 -12.152 10.953 224 1HE2 GLN 29 HE21 GLN 29 -6.507 -10.873 11.696 225 2HE2 GLN 29 HE22 GLN 29 -5.735 -9.697 10.695 226 H GLN 30 HN GLN 30 -9.705 -13.227 6.281 227 HA GLN 30 HA GLN 30 -11.903 -14.935 6.912 228 1HB GLN 30 HB2 GLN 30 -11.682 -13.172 5.017 229 2HB GLN 30 HB1 GLN 30 -10.885 -14.460 4.125 230 1HG GLN 30 HG2 GLN 30 -12.799 -15.570 3.756 231 2HG GLN 30 HG1 GLN 30 -13.444 -15.201 5.354 232 1HE2 GLN 30 HE21 GLN 30 -13.182 -14.174 2.058 233 2HE2 GLN 30 HE22 GLN 30 -14.356 -12.909 2.140 234 H HIS 31 HN HIS 31 -8.655 -15.399 5.694 235 HA HIS 31 HA HIS 31 -9.043 -18.284 5.932 236 1HB HIS 31 HB2 HIS 31 -7.940 -18.767 3.821 237 2HB HIS 31 HB1 HIS 31 -9.367 -17.775 3.541 238 HD1 HIS 31 HD1 HIS 31 -8.687 -15.059 3.451 239 HD2 HIS 31 HD2 HIS 31 -5.795 -17.862 2.452 240 HE1 HIS 31 HE1 HIS 31 -7.003 -13.822 2.063 241 HE2 HIS 31 HE2 HIS 31 -5.150 -15.484 1.683 242 HA PRO 32 HA PRO 32 -5.054 -16.693 7.764 243 1HB PRO 32 HB2 PRO 32 -5.444 -17.621 10.269 244 2HB PRO 32 HB1 PRO 32 -6.077 -16.060 9.731 245 1HG PRO 32 HG2 PRO 32 -7.484 -18.690 9.985 246 2HG PRO 32 HG1 PRO 32 -8.043 -17.073 10.448 247 1HD PRO 32 HD2 PRO 32 -8.802 -18.306 8.143 248 2HD PRO 32 HD1 PRO 32 -8.676 -16.544 8.303 249 H ARG 33 HN ARG 33 -6.752 -19.758 7.929 250 HA ARG 33 HA ARG 33 -4.152 -21.147 7.986 251 1HB ARG 33 HB2 ARG 33 -6.828 -22.102 9.020 252 2HB ARG 33 HB1 ARG 33 -5.364 -23.075 8.972 253 1HG ARG 33 HG2 ARG 33 -4.777 -22.295 10.954 254 2HG ARG 33 HG1 ARG 33 -4.741 -20.655 10.304 255 1HD ARG 33 HD2 ARG 33 -7.207 -20.533 10.701 256 2HD ARG 33 HD1 ARG 33 -7.095 -22.088 11.524 257 HE ARG 33 HE ARG 33 -5.264 -20.584 12.818 258 1HH1 ARG 33 HH11 ARG 33 -8.624 -20.073 12.028 259 2HH1 ARG 33 HH12 ARG 33 -8.931 -19.086 13.417 260 1HH2 ARG 33 HH21 ARG 33 -5.664 -19.287 14.646 261 2HH2 ARG 33 HH22 ARG 33 -7.250 -18.638 14.904 262 H CYS 1 HN CYS 1 -17.209 -23.322 -4.974 263 HA CYS 1 HA CYS 1 -15.633 -24.643 -2.992 264 1HB CYS 1 HB2 CYS 1 -15.998 -25.372 -5.415 265 2HB CYS 1 HB1 CYS 1 -14.810 -24.148 -5.850 266 HG CYS 1 HG CYS 1 -12.992 -25.620 -5.084 267 H GLY 2 HN GLY 2 -14.718 -23.196 -1.583 268 1HA GLY 2 HA2 GLY 2 -13.306 -20.865 -2.538 269 2HA GLY 2 HA1 GLY 2 -13.434 -21.399 -0.869 270 H GLY 3 HN GLY 3 -11.981 -22.547 -3.921 271 1HA GLY 3 HA2 GLY 3 -9.843 -23.863 -2.514 272 2HA GLY 3 HA1 GLY 3 -10.009 -23.713 -4.257 273 H ASP 4 HN ASP 4 -9.237 -21.784 -1.370 274 HA ASP 4 HA ASP 4 -7.695 -20.149 -1.005 275 1HB ASP 4 HB2 ASP 4 -6.415 -21.276 -3.494 276 2HB ASP 4 HB1 ASP 4 -5.645 -20.171 -2.360 277 H ASN 5 HN ASN 5 -9.985 -19.849 -3.025 278 HA ASN 5 HA ASN 5 -9.309 -18.064 -5.047 279 1HB ASN 5 HB2 ASN 5 -11.569 -19.185 -4.602 280 2HB ASN 5 HB1 ASN 5 -11.871 -17.876 -3.463 281 1HD2 ASN 5 HD21 ASN 5 -10.558 -18.190 -6.750 282 2HD2 ASN 5 HD22 ASN 5 -11.519 -16.929 -7.435 283 H ILE 6 HN ILE 6 -9.552 -17.637 -1.638 284 HA ILE 6 HA ILE 6 -9.634 -14.755 -1.713 285 HB ILE 6 HB ILE 6 -8.958 -16.481 0.657 286 1HG1 ILE 6 HG12 ILE 6 -11.717 -15.640 -0.262 287 2HG1 ILE 6 HG11 ILE 6 -11.064 -17.268 -0.405 288 1HG2 ILE 6 HG21 ILE 6 -10.334 -13.810 0.534 289 2HG2 ILE 6 HG22 ILE 6 -8.600 -14.018 0.775 290 3HG2 ILE 6 HG23 ILE 6 -9.739 -14.651 1.965 291 1HD1 ILE 6 HD11 ILE 6 -12.516 -17.161 1.493 292 2HD1 ILE 6 HD12 ILE 6 -11.643 -15.770 2.136 293 3HD1 ILE 6 HD13 ILE 6 -10.856 -17.346 2.058 294 H GLU 7 HN GLU 7 -7.289 -17.272 -0.908 295 HA GLU 7 HA GLU 7 -5.136 -15.658 -0.192 296 1HB GLU 7 HB2 GLU 7 -5.527 -18.313 -0.262 297 2HB GLU 7 HB1 GLU 7 -4.546 -18.138 -1.710 298 1HG GLU 7 HG2 GLU 7 -3.309 -16.634 0.338 299 2HG GLU 7 HG1 GLU 7 -3.728 -18.209 1.011 300 H GLN 8 HN GLN 8 -6.389 -16.514 -3.329 301 HA GLN 8 HA GLN 8 -4.091 -15.559 -4.773 302 1HB GLN 8 HB2 GLN 8 -5.601 -17.337 -5.646 303 2HB GLN 8 HB1 GLN 8 -6.878 -16.137 -5.789 304 1HG GLN 8 HG2 GLN 8 -6.074 -15.350 -7.709 305 2HG GLN 8 HG1 GLN 8 -4.415 -15.334 -7.110 306 1HE2 GLN 8 HE21 GLN 8 -3.735 -17.812 -6.667 307 2HE2 GLN 8 HE22 GLN 8 -3.899 -18.807 -8.070 308 H LYS 9 HN LYS 9 -7.276 -14.352 -3.899 309 HA LYS 9 HA LYS 9 -7.258 -12.001 -5.424 310 1HB LYS 9 HB2 LYS 9 -9.032 -13.209 -3.714 311 2HB LYS 9 HB1 LYS 9 -8.567 -11.777 -2.807 312 1HG LYS 9 HG2 LYS 9 -9.106 -10.445 -4.888 313 2HG LYS 9 HG1 LYS 9 -9.842 -11.918 -5.522 314 1HD LYS 9 HD2 LYS 9 -11.709 -11.172 -4.524 315 2HD LYS 9 HD1 LYS 9 -10.961 -11.764 -3.039 316 1HE LYS 9 HE2 LYS 9 -10.866 -9.701 -2.221 317 2HE LYS 9 HE1 LYS 9 -9.957 -9.151 -3.628 318 1HZ LYS 9 HZ1 LYS 9 -12.911 -9.412 -3.602 319 2HZ LYS 9 HZ2 LYS 9 -11.953 -8.646 -4.767 320 3HZ LYS 9 HZ3 LYS 9 -12.103 -7.974 -3.223 321 H ILE 10 HN ILE 10 -5.956 -12.730 -2.232 322 HA ILE 10 HA ILE 10 -5.283 -10.039 -1.596 323 HB ILE 10 HB ILE 10 -3.729 -11.078 0.084 324 1HG1 ILE 10 HG12 ILE 10 -5.076 -13.657 -0.725 325 2HG1 ILE 10 HG11 ILE 10 -3.431 -13.221 -1.184 326 1HG2 ILE 10 HG21 ILE 10 -6.005 -10.356 0.612 327 2HG2 ILE 10 HG22 ILE 10 -5.534 -11.771 1.553 328 3HG2 ILE 10 HG23 ILE 10 -6.609 -11.952 0.167 329 1HD1 ILE 10 HD11 ILE 10 -2.831 -13.098 1.196 330 2HD1 ILE 10 HD12 ILE 10 -3.394 -14.696 0.711 331 3HD1 ILE 10 HD13 ILE 10 -4.463 -13.621 1.610 332 H ASP 11 HN ASP 11 -3.462 -12.750 -2.995 333 HA ASP 11 HA ASP 11 -0.922 -11.674 -3.030 334 1HB ASP 11 HB2 ASP 11 -2.020 -13.931 -4.047 335 2HB ASP 11 HB1 ASP 11 -1.759 -13.023 -5.534 336 H ASP 12 HN ASP 12 -3.676 -10.963 -5.047 337 HA ASP 12 HA ASP 12 -2.321 -9.385 -6.984 338 1HB ASP 12 HB2 ASP 12 -5.171 -9.750 -6.149 339 2HB ASP 12 HB1 ASP 12 -4.761 -8.358 -7.145 340 H ILE 13 HN ILE 13 -4.093 -8.645 -4.018 341 HA ILE 13 HA ILE 13 -3.784 -5.857 -4.075 342 HB ILE 13 HB ILE 13 -3.919 -7.593 -1.609 343 1HG1 ILE 13 HG12 ILE 13 -6.142 -6.476 -3.329 344 2HG1 ILE 13 HG11 ILE 13 -5.749 -8.176 -3.092 345 1HG2 ILE 13 HG21 ILE 13 -4.135 -5.723 -0.410 346 2HG2 ILE 13 HG22 ILE 13 -5.269 -5.018 -1.562 347 3HG2 ILE 13 HG23 ILE 13 -3.533 -4.873 -1.834 348 1HD1 ILE 13 HD11 ILE 13 -7.060 -8.272 -1.319 349 2HD1 ILE 13 HD12 ILE 13 -7.559 -6.612 -1.645 350 3HD1 ILE 13 HD13 ILE 13 -6.207 -6.929 -0.559 351 H ASP 14 HN ASP 14 -1.802 -8.404 -2.579 352 HA ASP 14 HA ASP 14 0.085 -6.907 -1.265 353 1HB ASP 14 HB2 ASP 14 -0.176 -9.508 -1.616 354 2HB ASP 14 HB1 ASP 14 1.015 -9.242 -2.884 355 H HIS 15 HN HIS 15 -0.232 -7.454 -4.710 356 HA HIS 15 HA HIS 15 2.322 -6.342 -5.384 357 1HB HIS 15 HB2 HIS 15 0.756 -7.951 -6.752 358 2HB HIS 15 HB1 HIS 15 0.034 -6.447 -7.312 359 HD1 HIS 15 HD1 HIS 15 3.100 -5.135 -7.152 360 HD2 HIS 15 HD2 HIS 15 1.680 -8.297 -9.444 361 HE1 HIS 15 HE1 HIS 15 4.679 -5.314 -9.101 362 HE2 HIS 15 HE2 HIS 15 3.850 -7.291 -10.427 363 H GLU 16 HN GLU 16 -0.900 -5.137 -4.876 364 HA GLU 16 HA GLU 16 -0.333 -2.564 -6.057 365 1HB GLU 16 HB2 GLU 16 -2.711 -3.229 -4.339 366 2HB GLU 16 HB1 GLU 16 -2.584 -2.007 -5.597 367 1HG GLU 16 HG2 GLU 16 -2.667 -3.611 -7.311 368 2HG GLU 16 HG1 GLU 16 -2.356 -4.938 -6.192 369 H ILE 17 HN ILE 17 -0.485 -3.998 -2.871 370 HA ILE 17 HA ILE 17 -0.457 -1.634 -1.340 371 HB ILE 17 HB ILE 17 0.760 -4.279 -0.544 372 1HG1 ILE 17 HG12 ILE 17 -2.046 -3.516 0.135 373 2HG1 ILE 17 HG11 ILE 17 -1.719 -4.185 -1.458 374 1HG2 ILE 17 HG21 ILE 17 0.155 -1.769 0.836 375 2HG2 ILE 17 HG22 ILE 17 1.282 -3.057 1.262 376 3HG2 ILE 17 HG23 ILE 17 -0.429 -3.214 1.664 377 1HD1 ILE 17 HD11 ILE 17 -1.657 -6.234 -0.635 378 2HD1 ILE 17 HD12 ILE 17 -2.172 -5.572 0.916 379 3HD1 ILE 17 HD13 ILE 17 -0.454 -5.772 0.568 380 H ALA 18 HN ALA 18 2.054 -3.518 -2.885 381 HA ALA 18 HA ALA 18 4.226 -2.146 -1.590 382 1HB ALA 18 HB1 ALA 18 3.927 -4.343 -3.524 383 2HB ALA 18 HB2 ALA 18 5.037 -4.166 -2.164 384 3HB ALA 18 HB3 ALA 18 5.390 -3.373 -3.699 385 H ASP 19 HN ASP 19 2.558 -1.957 -4.694 386 HA ASP 19 HA ASP 19 4.293 -0.306 -6.090 387 1HB ASP 19 HB2 ASP 19 1.372 -0.838 -6.181 388 2HB ASP 19 HB1 ASP 19 1.942 0.606 -7.011 389 H LEU 20 HN LEU 20 1.709 0.591 -3.832 390 HA LEU 20 HA LEU 20 2.055 3.390 -4.113 391 1HB LEU 20 HB2 LEU 20 0.984 2.058 -1.647 392 2HB LEU 20 HB1 LEU 20 0.565 3.627 -2.307 393 HG LEU 20 HG LEU 20 -0.261 0.917 -3.314 394 1HD1 LEU 20 HD11 LEU 20 -1.715 1.640 -1.635 395 2HD1 LEU 20 HD12 LEU 20 -2.521 2.090 -3.138 396 3HD1 LEU 20 HD13 LEU 20 -1.671 3.312 -2.192 397 1HD2 LEU 20 HD21 LEU 20 -1.257 1.945 -5.231 398 2HD2 LEU 20 HD22 LEU 20 0.450 2.387 -5.201 399 3HD2 LEU 20 HD23 LEU 20 -0.772 3.550 -4.686 400 H GLN 21 HN GLN 21 3.131 1.108 -1.603 401 HA GLN 21 HA GLN 21 4.451 2.854 0.067 402 1HB GLN 21 HB2 GLN 21 4.091 0.237 0.145 403 2HB GLN 21 HB1 GLN 21 5.722 0.214 -0.513 404 1HG GLN 21 HG2 GLN 21 6.575 1.384 1.388 405 2HG GLN 21 HG1 GLN 21 4.949 1.656 2.010 406 1HE2 GLN 21 HE21 GLN 21 7.561 -0.561 1.703 407 2HE2 GLN 21 HE22 GLN 21 6.906 -1.812 2.698 408 H ALA 22 HN ALA 22 5.485 1.584 -3.023 409 HA ALA 22 HA ALA 22 8.207 2.415 -2.798 410 1HB ALA 22 HB1 ALA 22 8.097 0.811 -4.394 411 2HB ALA 22 HB2 ALA 22 7.891 2.210 -5.448 412 3HB ALA 22 HB3 ALA 22 6.482 1.289 -4.920 413 H LYS 23 HN LYS 23 5.254 3.867 -4.014 414 HA LYS 23 HA LYS 23 6.485 6.065 -5.324 415 1HB LYS 23 HB2 LYS 23 3.684 5.640 -4.284 416 2HB LYS 23 HB1 LYS 23 4.174 7.078 -5.169 417 1HG LYS 23 HG2 LYS 23 4.493 5.900 -7.150 418 2HG LYS 23 HG1 LYS 23 4.583 4.345 -6.320 419 1HD LYS 23 HD2 LYS 23 2.208 4.507 -5.758 420 2HD LYS 23 HD1 LYS 23 2.118 6.068 -6.577 421 1HE LYS 23 HE2 LYS 23 3.130 4.631 -8.573 422 2HE LYS 23 HE1 LYS 23 2.316 3.331 -7.705 423 1HZ LYS 23 HZ1 LYS 23 0.292 4.129 -8.226 424 2HZ LYS 23 HZ2 LYS 23 1.115 4.851 -9.515 425 3HZ LYS 23 HZ3 LYS 23 0.764 5.751 -8.126 426 H ARG 24 HN ARG 24 5.333 5.512 -2.049 427 HA ARG 24 HA ARG 24 5.514 8.212 -1.184 428 1HB ARG 24 HB2 ARG 24 4.158 6.570 0.009 429 2HB ARG 24 HB1 ARG 24 5.597 5.637 0.400 430 1HG ARG 24 HG2 ARG 24 6.131 6.954 2.127 431 2HG ARG 24 HG1 ARG 24 5.720 8.433 1.254 432 1HD ARG 24 HD2 ARG 24 3.263 7.356 1.613 433 2HD ARG 24 HD1 ARG 24 4.088 6.779 3.061 434 HE ARG 24 HE ARG 24 3.317 9.480 2.465 435 1HH1 ARG 24 HH11 ARG 24 5.512 7.473 4.287 436 2HH1 ARG 24 HH12 ARG 24 5.804 8.675 5.500 437 1HH2 ARG 24 HH21 ARG 24 3.698 11.063 4.057 438 2HH2 ARG 24 HH22 ARG 24 4.774 10.714 5.369 439 H THR 25 HN THR 25 7.729 5.448 -0.971 440 HA THR 25 HA THR 25 9.731 6.713 0.536 441 HB THR 25 HB THR 25 10.570 4.737 -1.500 442 HG1 THR 25 HG1 THR 25 8.650 4.184 0.502 443 1HG2 THR 25 HG21 THR 25 12.132 4.263 -0.014 444 2HG2 THR 25 HG22 THR 25 10.926 3.957 1.236 445 3HG2 THR 25 HG23 THR 25 11.526 5.594 0.971 446 H ARG 26 HN ARG 26 9.527 6.219 -2.991 447 HA ARG 26 HA ARG 26 11.840 7.494 -3.754 448 1HB ARG 26 HB2 ARG 26 10.731 7.933 -5.913 449 2HB ARG 26 HB1 ARG 26 10.451 6.295 -5.341 450 1HG ARG 26 HG2 ARG 26 8.222 6.826 -4.682 451 2HG ARG 26 HG1 ARG 26 8.488 8.545 -4.980 452 1HD ARG 26 HD2 ARG 26 7.209 7.252 -6.758 453 2HD ARG 26 HD1 ARG 26 8.557 8.246 -7.306 454 HE ARG 26 HE ARG 26 9.261 5.506 -6.777 455 1HH1 ARG 26 HH11 ARG 26 8.042 7.746 -9.159 456 2HH1 ARG 26 HH12 ARG 26 8.539 6.777 -10.507 457 1HH2 ARG 26 HH21 ARG 26 9.916 4.232 -8.548 458 2HH2 ARG 26 HH22 ARG 26 9.602 4.783 -10.159 459 H LEU 27 HN LEU 27 8.690 8.924 -3.042 460 HA LEU 27 HA LEU 27 9.391 11.574 -3.737 461 1HB LEU 27 HB2 LEU 27 7.188 10.255 -2.268 462 2HB LEU 27 HB1 LEU 27 7.472 11.940 -1.871 463 HG LEU 27 HG LEU 27 5.737 11.567 -3.628 464 1HD1 LEU 27 HD11 LEU 27 6.623 13.728 -3.557 465 2HD1 LEU 27 HD12 LEU 27 6.779 13.248 -5.247 466 3HD1 LEU 27 HD13 LEU 27 8.187 13.205 -4.185 467 1HD2 LEU 27 HD21 LEU 27 8.120 10.498 -5.111 468 2HD2 LEU 27 HD22 LEU 27 6.705 11.139 -5.946 469 3HD2 LEU 27 HD23 LEU 27 6.541 9.748 -4.874 470 H VAL 28 HN VAL 28 9.685 9.677 -0.788 471 HA VAL 28 HA VAL 28 10.392 11.807 0.936 472 HB VAL 28 HB VAL 28 11.309 8.947 1.167 473 1HG1 VAL 28 HG11 VAL 28 11.016 11.192 3.147 474 2HG1 VAL 28 HG12 VAL 28 12.481 10.313 2.707 475 3HG1 VAL 28 HG13 VAL 28 11.209 9.505 3.623 476 1HG2 VAL 28 HG21 VAL 28 9.059 9.515 2.826 477 2HG2 VAL 28 HG22 VAL 28 9.216 8.306 1.553 478 3HG2 VAL 28 HG23 VAL 28 8.658 9.931 1.160 479 H GLN 29 HN GLN 29 12.298 9.571 -1.034 480 HA GLN 29 HA GLN 29 14.855 10.311 -0.274 481 1HB GLN 29 HB2 GLN 29 13.857 9.550 -3.028 482 2HB GLN 29 HB1 GLN 29 15.552 9.620 -2.566 483 1HG GLN 29 HG2 GLN 29 13.872 7.968 -0.823 484 2HG GLN 29 HG1 GLN 29 14.011 7.394 -2.484 485 1HE2 GLN 29 HE21 GLN 29 15.022 6.110 -0.148 486 2HE2 GLN 29 HE22 GLN 29 16.739 6.021 -0.311 487 H GLN 30 HN GLN 30 12.554 11.917 -2.352 488 HA GLN 30 HA GLN 30 14.335 13.854 -3.425 489 1HB GLN 30 HB2 GLN 30 11.432 13.373 -3.402 490 2HB GLN 30 HB1 GLN 30 11.884 15.069 -3.495 491 1HG GLN 30 HG2 GLN 30 12.917 14.821 -5.541 492 2HG GLN 30 HG1 GLN 30 13.163 13.089 -5.323 493 1HE2 GLN 30 HE21 GLN 30 12.279 12.981 -7.502 494 2HE2 GLN 30 HE22 GLN 30 10.564 12.948 -7.709 495 H HIS 31 HN HIS 31 12.379 13.636 -0.518 496 HA HIS 31 HA HIS 31 13.747 16.024 0.489 497 1HB HIS 31 HB2 HIS 31 11.695 16.901 1.487 498 2HB HIS 31 HB1 HIS 31 11.547 16.795 -0.263 499 HD1 HIS 31 HD1 HIS 31 10.254 14.513 -1.081 500 HD2 HIS 31 HD2 HIS 31 9.614 15.784 2.818 501 HE1 HIS 31 HE1 HIS 31 8.105 13.433 -0.366 502 HE2 HIS 31 HE2 HIS 31 7.874 14.031 2.069 503 HA PRO 32 HA PRO 32 13.781 12.509 3.520 504 1HB PRO 32 HB2 PRO 32 16.439 12.480 3.961 505 2HB PRO 32 HB1 PRO 32 15.706 11.643 2.587 506 1HG PRO 32 HG2 PRO 32 17.081 14.300 2.671 507 2HG PRO 32 HG1 PRO 32 17.226 13.003 1.470 508 1HD PRO 32 HD2 PRO 32 15.677 15.218 1.103 509 2HD PRO 32 HD1 PRO 32 15.317 13.645 0.366 510 H ARG 33 HN ARG 33 15.275 15.683 3.501 511 HA ARG 33 HA ARG 33 14.617 15.962 6.341 512 1HB ARG 33 HB2 ARG 33 16.768 17.121 6.752 513 2HB ARG 33 HB1 ARG 33 16.976 15.425 6.333 514 1HG ARG 33 HG2 ARG 33 17.056 17.129 3.993 515 2HG ARG 33 HG1 ARG 33 18.267 17.589 5.190 516 1HD ARG 33 HD2 ARG 33 18.092 14.708 4.817 517 2HD ARG 33 HD1 ARG 33 18.494 15.563 3.327 518 HE ARG 33 HE ARG 33 20.177 16.660 5.135 519 1HH1 ARG 33 HH11 ARG 33 19.456 13.362 4.251 520 2HH1 ARG 33 HH12 ARG 33 21.045 12.783 4.626 521 1HH2 ARG 33 HH21 ARG 33 22.266 15.900 5.628 522 2HH2 ARG 33 HH22 ARG 33 22.640 14.223 5.409 Start of MODEL 23 1 H CYS 1 HT1 CYS 1 14.929 23.009 -3.546 2 HA CYS 1 HA CYS 1 13.357 25.153 -4.793 3 1HB CYS 1 HB2 CYS 1 15.311 23.885 -6.112 4 2HB CYS 1 HB1 CYS 1 14.061 22.653 -6.252 5 HG CYS 1 HG CYS 1 12.575 24.499 -7.460 6 H GLY 2 HN GLY 2 11.309 24.850 -4.219 7 1HA GLY 2 HA2 GLY 2 9.297 23.600 -4.252 8 2HA GLY 2 HA1 GLY 2 10.243 22.122 -4.158 9 H GLY 3 HN GLY 3 8.048 23.737 -2.511 10 1HA GLY 3 HA2 GLY 3 9.282 23.732 0.114 11 2HA GLY 3 HA1 GLY 3 7.621 24.164 -0.258 12 H ASP 4 HN ASP 4 6.358 22.900 0.942 13 HA ASP 4 HA ASP 4 7.092 20.113 1.393 14 1HB ASP 4 HB2 ASP 4 4.829 21.759 2.524 15 2HB ASP 4 HB1 ASP 4 5.232 20.113 3.003 16 H ASN 5 HN ASN 5 5.840 21.429 -1.142 17 HA ASN 5 HA ASN 5 3.279 20.476 -1.585 18 1HB ASN 5 HB2 ASN 5 5.580 21.205 -3.300 19 2HB ASN 5 HB1 ASN 5 4.368 20.169 -4.049 20 1HD2 ASN 5 HD21 ASN 5 2.039 20.956 -3.416 21 2HD2 ASN 5 HD22 ASN 5 1.763 22.638 -3.696 22 H ILE 6 HN ILE 6 6.301 18.809 -1.451 23 HA ILE 6 HA ILE 6 5.337 16.371 -2.643 24 HB ILE 6 HB ILE 6 7.823 16.739 -0.982 25 1HG1 ILE 6 HG12 ILE 6 8.329 16.746 -3.817 26 2HG1 ILE 6 HG11 ILE 6 7.197 18.034 -3.417 27 1HG2 ILE 6 HG21 ILE 6 7.246 14.798 -3.210 28 2HG2 ILE 6 HG22 ILE 6 7.058 14.430 -1.496 29 3HG2 ILE 6 HG23 ILE 6 8.651 14.821 -2.146 30 1HD1 ILE 6 HD11 ILE 6 8.873 19.278 -2.707 31 2HD1 ILE 6 HD12 ILE 6 10.004 17.980 -3.091 32 3HD1 ILE 6 HD13 ILE 6 9.271 18.066 -1.489 33 H GLU 7 HN GLU 7 6.132 17.540 0.596 34 HA GLU 7 HA GLU 7 5.640 15.211 2.042 35 1HB GLU 7 HB2 GLU 7 6.716 17.193 3.006 36 2HB GLU 7 HB1 GLU 7 5.201 18.078 2.895 37 1HG GLU 7 HG2 GLU 7 4.998 15.560 4.361 38 2HG GLU 7 HG1 GLU 7 6.093 16.734 5.089 39 H GLN 8 HN GLN 8 3.446 17.544 0.678 40 HA GLN 8 HA GLN 8 1.152 16.591 2.138 41 1HB GLN 8 HB2 GLN 8 1.397 18.940 1.282 42 2HB GLN 8 HB1 GLN 8 1.215 18.307 -0.348 43 1HG GLN 8 HG2 GLN 8 -0.989 18.308 -0.171 44 2HG GLN 8 HG1 GLN 8 -0.923 17.371 1.320 45 1HE2 GLN 8 HE21 GLN 8 -2.674 18.552 2.146 46 2HE2 GLN 8 HE22 GLN 8 -2.477 20.163 2.741 47 H LYS 9 HN LYS 9 2.514 16.214 -1.088 48 HA LYS 9 HA LYS 9 0.431 14.707 -2.214 49 1HB LYS 9 HB2 LYS 9 3.298 15.178 -2.843 50 2HB LYS 9 HB1 LYS 9 2.530 13.786 -3.596 51 1HG LYS 9 HG2 LYS 9 0.923 15.150 -4.684 52 2HG LYS 9 HG1 LYS 9 1.401 16.567 -3.747 53 1HD LYS 9 HD2 LYS 9 2.443 16.910 -5.799 54 2HD LYS 9 HD1 LYS 9 3.725 16.209 -4.809 55 1HE LYS 9 HE2 LYS 9 3.980 14.835 -6.576 56 2HE LYS 9 HE1 LYS 9 2.632 13.970 -5.840 57 1HZ LYS 9 HZ1 LYS 9 1.221 14.620 -7.452 58 2HZ LYS 9 HZ2 LYS 9 2.637 14.794 -8.362 59 3HZ LYS 9 HZ3 LYS 9 1.929 16.146 -7.634 60 H ILE 10 HN ILE 10 3.174 13.809 -0.213 61 HA ILE 10 HA ILE 10 2.880 10.996 -0.608 62 HB ILE 10 HB ILE 10 4.287 10.792 1.451 63 1HG1 ILE 10 HG12 ILE 10 4.543 13.793 1.218 64 2HG1 ILE 10 HG11 ILE 10 3.584 12.976 2.448 65 1HG2 ILE 10 HG21 ILE 10 5.606 10.605 -0.378 66 2HG2 ILE 10 HG22 ILE 10 6.252 12.127 0.237 67 3HG2 ILE 10 HG23 ILE 10 5.060 12.135 -1.062 68 1HD1 ILE 10 HD11 ILE 10 5.737 13.646 3.323 69 2HD1 ILE 10 HD12 ILE 10 6.553 12.713 2.066 70 3HD1 ILE 10 HD13 ILE 10 5.592 11.889 3.295 71 H ASP 11 HN ASP 11 1.822 13.262 1.917 72 HA ASP 11 HA ASP 11 0.789 11.487 3.760 73 1HB ASP 11 HB2 ASP 11 0.788 14.186 3.543 74 2HB ASP 11 HB1 ASP 11 -0.904 13.852 3.192 75 H ASP 12 HN ASP 12 -0.489 12.521 0.689 76 HA ASP 12 HA ASP 12 -3.089 11.405 0.979 77 1HB ASP 12 HB2 ASP 12 -2.451 13.121 -0.739 78 2HB ASP 12 HB1 ASP 12 -1.551 11.868 -1.589 79 H ILE 13 HN ILE 13 -0.096 10.273 -0.531 80 HA ILE 13 HA ILE 13 -1.026 7.778 -1.396 81 HB ILE 13 HB ILE 13 1.776 8.418 -0.469 82 1HG1 ILE 13 HG12 ILE 13 0.463 8.833 -3.160 83 2HG1 ILE 13 HG11 ILE 13 1.082 10.082 -2.085 84 1HG2 ILE 13 HG21 ILE 13 2.404 6.428 -1.266 85 2HG2 ILE 13 HG22 ILE 13 1.440 6.616 -2.730 86 3HG2 ILE 13 HG23 ILE 13 0.692 6.009 -1.254 87 1HD1 ILE 13 HD11 ILE 13 2.474 8.421 -4.031 88 2HD1 ILE 13 HD12 ILE 13 3.282 8.517 -2.466 89 3HD1 ILE 13 HD13 ILE 13 2.906 9.993 -3.357 90 H ASP 14 HN ASP 14 0.546 8.750 1.642 91 HA ASP 14 HA ASP 14 0.816 6.329 2.901 92 1HB ASP 14 HB2 ASP 14 1.170 8.901 3.664 93 2HB ASP 14 HB1 ASP 14 -0.263 8.496 4.602 94 H HIS 15 HN HIS 15 -2.108 8.200 2.413 95 HA HIS 15 HA HIS 15 -3.732 6.613 4.156 96 1HB HIS 15 HB2 HIS 15 -4.099 9.047 3.221 97 2HB HIS 15 HB1 HIS 15 -4.867 8.199 1.884 98 HD1 HIS 15 HD1 HIS 15 -5.649 6.127 4.585 99 HD2 HIS 15 HD2 HIS 15 -6.973 9.888 3.415 100 HE1 HIS 15 HE1 HIS 15 -7.868 6.443 5.724 101 HE2 HIS 15 HE2 HIS 15 -8.608 8.762 5.073 102 H GLU 16 HN GLU 16 -2.744 6.475 0.829 103 HA GLU 16 HA GLU 16 -4.733 4.504 0.121 104 1HB GLU 16 HB2 GLU 16 -2.332 5.256 -1.528 105 2HB GLU 16 HB1 GLU 16 -3.879 4.628 -2.080 106 1HG GLU 16 HG2 GLU 16 -4.962 6.674 -1.725 107 2HG GLU 16 HG1 GLU 16 -3.647 7.293 -0.727 108 H ILE 17 HN ILE 17 -1.350 4.608 0.997 109 HA ILE 17 HA ILE 17 -0.635 1.992 0.237 110 HB ILE 17 HB ILE 17 0.531 3.561 2.538 111 1HG1 ILE 17 HG12 ILE 17 1.696 3.601 -0.211 112 2HG1 ILE 17 HG11 ILE 17 0.337 4.660 0.142 113 1HG2 ILE 17 HG21 ILE 17 2.576 2.225 1.343 114 2HG2 ILE 17 HG22 ILE 17 1.242 1.089 1.131 115 3HG2 ILE 17 HG23 ILE 17 1.680 1.644 2.747 116 1HD1 ILE 17 HD11 ILE 17 3.043 5.122 0.635 117 2HD1 ILE 17 HD12 ILE 17 2.304 4.855 2.215 118 3HD1 ILE 17 HD13 ILE 17 1.672 6.105 1.143 119 H ALA 18 HN ALA 18 -2.210 3.319 3.058 120 HA ALA 18 HA ALA 18 -1.990 0.911 4.621 121 1HB ALA 18 HB1 ALA 18 -3.911 2.373 5.869 122 2HB ALA 18 HB2 ALA 18 -3.019 3.630 5.010 123 3HB ALA 18 HB3 ALA 18 -2.177 2.561 6.132 124 H ASP 19 HN ASP 19 -4.481 2.496 2.678 125 HA ASP 19 HA ASP 19 -6.681 0.955 3.353 126 1HB ASP 19 HB2 ASP 19 -6.264 2.968 1.604 127 2HB ASP 19 HB1 ASP 19 -6.388 1.618 0.480 128 H LEU 20 HN LEU 20 -4.162 0.292 0.953 129 HA LEU 20 HA LEU 20 -5.322 -2.116 -0.002 130 1HB LEU 20 HB2 LEU 20 -2.392 -1.451 -0.079 131 2HB LEU 20 HB1 LEU 20 -3.300 -2.462 -1.186 132 HG LEU 20 HG LEU 20 -3.305 0.535 -0.981 133 1HD1 LEU 20 HD11 LEU 20 -2.911 0.215 -3.476 134 2HD1 LEU 20 HD12 LEU 20 -2.598 -1.477 -3.089 135 3HD1 LEU 20 HD13 LEU 20 -1.591 -0.212 -2.387 136 1HD2 LEU 20 HD21 LEU 20 -5.641 -0.285 -1.140 137 2HD2 LEU 20 HD22 LEU 20 -5.204 -1.137 -2.620 138 3HD2 LEU 20 HD23 LEU 20 -5.119 0.623 -2.559 139 H GLN 21 HN GLN 21 -2.565 -1.540 2.183 140 HA GLN 21 HA GLN 21 -1.974 -4.164 2.804 141 1HB GLN 21 HB2 GLN 21 -0.820 -1.932 3.500 142 2HB GLN 21 HB1 GLN 21 -1.848 -2.045 4.921 143 1HG GLN 21 HG2 GLN 21 -0.813 -3.990 5.668 144 2HG GLN 21 HG1 GLN 21 -0.115 -4.337 4.086 145 1HE2 GLN 21 HE21 GLN 21 0.355 -2.892 7.108 146 2HE2 GLN 21 HE22 GLN 21 1.887 -2.157 6.792 147 H ALA 22 HN ALA 22 -4.543 -2.136 4.047 148 HA ALA 22 HA ALA 22 -5.254 -3.863 6.210 149 1HB ALA 22 HB1 ALA 22 -5.782 -1.451 6.175 150 2HB ALA 22 HB2 ALA 22 -7.201 -2.458 6.461 151 3HB ALA 22 HB3 ALA 22 -6.931 -1.746 4.870 152 H LYS 23 HN LYS 23 -6.103 -3.647 2.835 153 HA LYS 23 HA LYS 23 -8.433 -5.291 2.998 154 1HB LYS 23 HB2 LYS 23 -6.992 -3.842 0.961 155 2HB LYS 23 HB1 LYS 23 -7.412 -5.448 0.385 156 1HG LYS 23 HG2 LYS 23 -9.435 -4.688 -0.080 157 2HG LYS 23 HG1 LYS 23 -9.711 -4.483 1.650 158 1HD LYS 23 HD2 LYS 23 -10.020 -2.320 1.133 159 2HD LYS 23 HD1 LYS 23 -8.257 -2.256 1.059 160 1HE LYS 23 HE2 LYS 23 -8.295 -2.608 -1.321 161 2HE LYS 23 HE1 LYS 23 -10.039 -2.865 -1.295 162 1HZ LYS 23 HZ1 LYS 23 -9.025 -0.336 -0.238 163 2HZ LYS 23 HZ2 LYS 23 -10.455 -0.658 -1.082 164 3HZ LYS 23 HZ3 LYS 23 -8.989 -0.550 -1.917 165 H ARG 24 HN ARG 24 -5.020 -5.870 2.386 166 HA ARG 24 HA ARG 24 -5.265 -8.538 1.488 167 1HB ARG 24 HB2 ARG 24 -3.131 -6.711 2.189 168 2HB ARG 24 HB1 ARG 24 -2.783 -8.336 2.762 169 1HG ARG 24 HG2 ARG 24 -3.531 -8.984 0.318 170 2HG ARG 24 HG1 ARG 24 -3.056 -7.317 -0.008 171 1HD ARG 24 HD2 ARG 24 -0.919 -7.904 -0.023 172 2HD ARG 24 HD1 ARG 24 -1.060 -8.527 1.620 173 HE ARG 24 HE ARG 24 -1.968 -10.276 -0.515 174 1HH1 ARG 24 HH11 ARG 24 0.606 -9.413 1.685 175 2HH1 ARG 24 HH12 ARG 24 1.396 -10.947 1.553 176 1HH2 ARG 24 HH21 ARG 24 -0.923 -12.288 -0.687 177 2HH2 ARG 24 HH22 ARG 24 0.532 -12.577 0.207 178 H THR 25 HN THR 25 -4.603 -7.184 4.710 179 HA THR 25 HA THR 25 -4.286 -9.616 6.061 180 HB THR 25 HB THR 25 -5.576 -7.447 7.575 181 HG1 THR 25 HG1 THR 25 -3.072 -7.034 6.312 182 1HG2 THR 25 HG21 THR 25 -4.537 -9.002 8.931 183 2HG2 THR 25 HG22 THR 25 -3.366 -7.686 8.856 184 3HG2 THR 25 HG23 THR 25 -3.131 -9.133 7.875 185 H ARG 26 HN ARG 26 -7.159 -7.510 5.921 186 HA ARG 26 HA ARG 26 -8.932 -9.086 7.311 187 1HB ARG 26 HB2 ARG 26 -10.721 -7.971 6.087 188 2HB ARG 26 HB1 ARG 26 -9.455 -6.823 6.504 189 1HG ARG 26 HG2 ARG 26 -8.624 -6.827 4.260 190 2HG ARG 26 HG1 ARG 26 -9.715 -8.139 3.810 191 1HD ARG 26 HD2 ARG 26 -10.551 -5.381 4.700 192 2HD ARG 26 HD1 ARG 26 -10.532 -5.960 3.034 193 HE ARG 26 HE ARG 26 -12.110 -7.760 4.279 194 1HH1 ARG 26 HH11 ARG 26 -12.123 -4.271 4.179 195 2HH1 ARG 26 HH12 ARG 26 -13.838 -4.148 4.374 196 1HH2 ARG 26 HH21 ARG 26 -14.366 -7.599 4.536 197 2HH2 ARG 26 HH22 ARG 26 -15.113 -6.037 4.577 198 H LEU 27 HN LEU 27 -7.959 -9.339 3.939 199 HA LEU 27 HA LEU 27 -9.787 -11.386 3.232 200 1HB LEU 27 HB2 LEU 27 -7.253 -10.314 2.053 201 2HB LEU 27 HB1 LEU 27 -7.935 -11.802 1.424 202 HG LEU 27 HG LEU 27 -9.747 -9.456 1.644 203 1HD1 LEU 27 HD11 LEU 27 -7.345 -8.953 0.554 204 2HD1 LEU 27 HD12 LEU 27 -8.845 -8.217 -0.010 205 3HD1 LEU 27 HD13 LEU 27 -8.182 -9.620 -0.848 206 1HD2 LEU 27 HD21 LEU 27 -9.370 -11.648 -0.392 207 2HD2 LEU 27 HD22 LEU 27 -10.630 -10.415 -0.434 208 3HD2 LEU 27 HD23 LEU 27 -10.595 -11.597 0.875 209 H VAL 28 HN VAL 28 -6.487 -11.373 4.497 210 HA VAL 28 HA VAL 28 -5.970 -14.126 4.244 211 HB VAL 28 HB VAL 28 -4.942 -12.329 6.433 212 1HG1 VAL 28 HG11 VAL 28 -4.625 -14.961 6.304 213 2HG1 VAL 28 HG12 VAL 28 -3.343 -13.890 6.867 214 3HG1 VAL 28 HG13 VAL 28 -3.325 -14.493 5.210 215 1HG2 VAL 28 HG21 VAL 28 -4.534 -12.170 3.594 216 2HG2 VAL 28 HG22 VAL 28 -3.017 -12.562 4.403 217 3HG2 VAL 28 HG23 VAL 28 -3.917 -11.121 4.869 218 H GLN 29 HN GLN 29 -7.302 -12.239 6.935 219 HA GLN 29 HA GLN 29 -7.620 -14.255 8.803 220 1HB GLN 29 HB2 GLN 29 -8.876 -11.641 8.285 221 2HB GLN 29 HB1 GLN 29 -9.880 -12.760 9.198 222 1HG GLN 29 HG2 GLN 29 -8.722 -11.537 10.810 223 2HG GLN 29 HG1 GLN 29 -7.874 -13.079 10.720 224 1HE2 GLN 29 HE21 GLN 29 -5.891 -12.435 11.363 225 2HE2 GLN 29 HE22 GLN 29 -4.912 -11.297 10.508 226 H GLN 30 HN GLN 30 -9.488 -13.493 5.955 227 HA GLN 30 HA GLN 30 -11.710 -15.162 6.487 228 1HB GLN 30 HB2 GLN 30 -11.036 -13.346 4.526 229 2HB GLN 30 HB1 GLN 30 -10.989 -14.875 3.660 230 1HG GLN 30 HG2 GLN 30 -13.337 -14.436 5.384 231 2HG GLN 30 HG1 GLN 30 -13.203 -13.397 3.967 232 1HE2 GLN 30 HE21 GLN 30 -14.489 -14.162 2.452 233 2HE2 GLN 30 HE22 GLN 30 -14.628 -15.815 1.975 234 H HIS 31 HN HIS 31 -8.532 -15.702 5.109 235 HA HIS 31 HA HIS 31 -9.083 -18.583 5.159 236 1HB HIS 31 HB2 HIS 31 -7.935 -18.944 3.044 237 2HB HIS 31 HB1 HIS 31 -9.295 -17.852 2.814 238 HD1 HIS 31 HD1 HIS 31 -8.391 -15.168 3.106 239 HD2 HIS 31 HD2 HIS 31 -5.775 -18.065 1.696 240 HE1 HIS 31 HE1 HIS 31 -6.605 -13.916 1.866 241 HE2 HIS 31 HE2 HIS 31 -4.918 -15.676 1.235 242 HA PRO 32 HA PRO 32 -5.213 -17.623 7.465 243 1HB PRO 32 HB2 PRO 32 -5.564 -19.587 9.314 244 2HB PRO 32 HB1 PRO 32 -6.286 -17.981 9.464 245 1HG PRO 32 HG2 PRO 32 -7.520 -20.530 8.493 246 2HG PRO 32 HG1 PRO 32 -8.198 -19.299 9.576 247 1HD PRO 32 HD2 PRO 32 -8.852 -19.439 6.958 248 2HD PRO 32 HD1 PRO 32 -8.763 -17.897 7.833 249 H ARG 33 HN ARG 33 -6.541 -20.600 6.185 250 HA ARG 33 HA ARG 33 -4.185 -22.167 6.424 251 1HB ARG 33 HB2 ARG 33 -6.659 -22.411 4.723 252 2HB ARG 33 HB1 ARG 33 -5.338 -23.565 4.614 253 1HG ARG 33 HG2 ARG 33 -6.576 -24.663 6.143 254 2HG ARG 33 HG1 ARG 33 -5.718 -23.599 7.261 255 1HD ARG 33 HD2 ARG 33 -7.597 -22.006 7.136 256 2HD ARG 33 HD1 ARG 33 -8.457 -23.132 6.087 257 HE ARG 33 HE ARG 33 -9.010 -24.367 7.930 258 1HH1 ARG 33 HH11 ARG 33 -6.409 -22.200 8.775 259 2HH1 ARG 33 HH12 ARG 33 -6.481 -22.571 10.464 260 1HH2 ARG 33 HH21 ARG 33 -9.106 -24.857 10.152 261 2HH2 ARG 33 HH22 ARG 33 -8.013 -24.080 11.247 262 H CYS 1 HN CYS 1 -14.910 -25.348 -0.642 263 HA CYS 1 HA CYS 1 -17.320 -24.196 -1.816 264 1HB CYS 1 HB2 CYS 1 -16.691 -24.635 0.768 265 2HB CYS 1 HB1 CYS 1 -16.110 -22.983 0.604 266 HG CYS 1 HG CYS 1 -19.080 -23.808 0.187 267 H GLY 2 HN GLY 2 -14.354 -22.796 -0.402 268 1HA GLY 2 HA2 GLY 2 -14.454 -20.751 -2.531 269 2HA GLY 2 HA1 GLY 2 -13.856 -20.449 -0.906 270 H GLY 3 HN GLY 3 -12.123 -22.396 -0.386 271 1HA GLY 3 HA2 GLY 3 -10.098 -23.377 -0.954 272 2HA GLY 3 HA1 GLY 3 -10.372 -22.904 -2.624 273 H ASP 4 HN ASP 4 -8.402 -22.017 -3.057 274 HA ASP 4 HA ASP 4 -7.335 -19.975 -1.271 275 1HB ASP 4 HB2 ASP 4 -6.198 -21.171 -3.798 276 2HB ASP 4 HB1 ASP 4 -5.362 -20.033 -2.745 277 H ASN 5 HN ASN 5 -9.707 -19.784 -3.300 278 HA ASN 5 HA ASN 5 -9.120 -18.003 -5.333 279 1HB ASN 5 HB2 ASN 5 -11.529 -18.741 -3.804 280 2HB ASN 5 HB1 ASN 5 -11.584 -17.132 -4.518 281 1HD2 ASN 5 HD21 ASN 5 -10.428 -17.302 -6.858 282 2HD2 ASN 5 HD22 ASN 5 -11.183 -18.474 -7.878 283 H ILE 6 HN ILE 6 -9.346 -17.508 -1.917 284 HA ILE 6 HA ILE 6 -9.422 -14.635 -2.045 285 HB ILE 6 HB ILE 6 -8.708 -16.356 0.325 286 1HG1 ILE 6 HG12 ILE 6 -11.467 -15.329 -0.341 287 2HG1 ILE 6 HG11 ILE 6 -10.922 -16.936 -0.811 288 1HG2 ILE 6 HG21 ILE 6 -9.942 -13.612 0.213 289 2HG2 ILE 6 HG22 ILE 6 -8.224 -13.927 0.452 290 3HG2 ILE 6 HG23 ILE 6 -9.397 -14.480 1.647 291 1HD1 ILE 6 HD11 ILE 6 -10.464 -16.371 2.001 292 2HD1 ILE 6 HD12 ILE 6 -11.251 -17.749 1.231 293 3HD1 ILE 6 HD13 ILE 6 -12.163 -16.271 1.540 294 H GLU 7 HN GLU 7 -7.035 -17.134 -1.319 295 HA GLU 7 HA GLU 7 -4.873 -15.523 -0.639 296 1HB GLU 7 HB2 GLU 7 -5.261 -18.194 -0.819 297 2HB GLU 7 HB1 GLU 7 -4.268 -17.932 -2.246 298 1HG GLU 7 HG2 GLU 7 -2.881 -16.526 -0.397 299 2HG GLU 7 HG1 GLU 7 -3.563 -17.813 0.597 300 H GLN 8 HN GLN 8 -6.206 -16.331 -3.761 301 HA GLN 8 HA GLN 8 -3.978 -15.313 -5.259 302 1HB GLN 8 HB2 GLN 8 -5.986 -16.995 -5.889 303 2HB GLN 8 HB1 GLN 8 -6.652 -15.497 -6.527 304 1HG GLN 8 HG2 GLN 8 -5.544 -16.197 -8.369 305 2HG GLN 8 HG1 GLN 8 -4.233 -15.313 -7.590 306 1HE2 GLN 8 HE21 GLN 8 -2.392 -16.355 -7.704 307 2HE2 GLN 8 HE22 GLN 8 -2.173 -18.066 -7.604 308 H LYS 9 HN LYS 9 -7.141 -14.140 -4.257 309 HA LYS 9 HA LYS 9 -7.116 -11.719 -5.689 310 1HB LYS 9 HB2 LYS 9 -9.005 -12.955 -4.299 311 2HB LYS 9 HB1 LYS 9 -8.453 -11.873 -3.028 312 1HG LYS 9 HG2 LYS 9 -8.715 -10.106 -5.022 313 2HG LYS 9 HG1 LYS 9 -9.933 -11.287 -5.510 314 1HD LYS 9 HD2 LYS 9 -9.920 -10.510 -2.658 315 2HD LYS 9 HD1 LYS 9 -10.430 -9.271 -3.807 316 1HE LYS 9 HE2 LYS 9 -11.809 -11.407 -4.727 317 2HE LYS 9 HE1 LYS 9 -11.753 -11.776 -3.004 318 1HZ LYS 9 HZ1 LYS 9 -12.498 -9.060 -3.790 319 2HZ LYS 9 HZ2 LYS 9 -13.033 -9.991 -2.484 320 3HZ LYS 9 HZ3 LYS 9 -13.639 -10.286 -4.036 321 H ILE 10 HN ILE 10 -5.827 -12.627 -2.544 322 HA ILE 10 HA ILE 10 -5.186 -9.965 -1.745 323 HB ILE 10 HB ILE 10 -3.684 -11.069 -0.081 324 1HG1 ILE 10 HG12 ILE 10 -4.914 -13.631 -1.105 325 2HG1 ILE 10 HG11 ILE 10 -3.261 -13.124 -1.439 326 1HG2 ILE 10 HG21 ILE 10 -6.325 -10.657 -0.018 327 2HG2 ILE 10 HG22 ILE 10 -5.425 -11.333 1.338 328 3HG2 ILE 10 HG23 ILE 10 -6.298 -12.401 0.240 329 1HD1 ILE 10 HD11 ILE 10 -4.433 -13.730 1.260 330 2HD1 ILE 10 HD12 ILE 10 -2.795 -13.142 0.971 331 3HD1 ILE 10 HD13 ILE 10 -3.288 -14.720 0.356 332 H ASP 11 HN ASP 11 -3.324 -12.608 -3.224 333 HA ASP 11 HA ASP 11 -0.795 -11.504 -3.169 334 1HB ASP 11 HB2 ASP 11 -2.206 -13.363 -5.026 335 2HB ASP 11 HB1 ASP 11 -0.669 -12.690 -5.558 336 H ASP 12 HN ASP 12 -3.518 -10.762 -5.211 337 HA ASP 12 HA ASP 12 -2.144 -9.118 -7.079 338 1HB ASP 12 HB2 ASP 12 -4.907 -9.837 -6.487 339 2HB ASP 12 HB1 ASP 12 -4.753 -8.141 -6.932 340 H ILE 13 HN ILE 13 -3.980 -8.469 -4.129 341 HA ILE 13 HA ILE 13 -3.690 -5.681 -4.109 342 HB ILE 13 HB ILE 13 -3.865 -7.486 -1.693 343 1HG1 ILE 13 HG12 ILE 13 -6.041 -6.334 -3.447 344 2HG1 ILE 13 HG11 ILE 13 -5.668 -8.035 -3.204 345 1HG2 ILE 13 HG21 ILE 13 -5.227 -4.928 -1.567 346 2HG2 ILE 13 HG22 ILE 13 -3.495 -4.747 -1.848 347 3HG2 ILE 13 HG23 ILE 13 -4.072 -5.650 -0.447 348 1HD1 ILE 13 HD11 ILE 13 -7.118 -6.141 -1.454 349 2HD1 ILE 13 HD12 ILE 13 -6.162 -7.408 -0.685 350 3HD1 ILE 13 HD13 ILE 13 -7.447 -7.835 -1.816 351 H ASP 14 HN ASP 14 -1.710 -8.252 -2.656 352 HA ASP 14 HA ASP 14 0.135 -6.782 -1.257 353 1HB ASP 14 HB2 ASP 14 -0.105 -9.395 -1.819 354 2HB ASP 14 HB1 ASP 14 1.226 -9.000 -2.902 355 H HIS 15 HN HIS 15 -0.093 -7.234 -4.725 356 HA HIS 15 HA HIS 15 2.454 -6.058 -5.306 357 1HB HIS 15 HB2 HIS 15 0.968 -7.655 -6.759 358 2HB HIS 15 HB1 HIS 15 0.197 -6.159 -7.278 359 HD1 HIS 15 HD1 HIS 15 3.553 -5.222 -6.767 360 HD2 HIS 15 HD2 HIS 15 1.595 -7.398 -9.715 361 HE1 HIS 15 HE1 HIS 15 5.071 -5.159 -8.770 362 HE2 HIS 15 HE2 HIS 15 3.907 -6.558 -10.512 363 H GLU 16 HN GLU 16 -0.796 -4.920 -4.829 364 HA GLU 16 HA GLU 16 -0.245 -2.304 -5.925 365 1HB GLU 16 HB2 GLU 16 -2.653 -3.050 -4.284 366 2HB GLU 16 HB1 GLU 16 -2.514 -1.797 -5.511 367 1HG GLU 16 HG2 GLU 16 -2.545 -3.354 -7.262 368 2HG GLU 16 HG1 GLU 16 -2.218 -4.706 -6.177 369 H ILE 17 HN ILE 17 -0.411 -3.840 -2.793 370 HA ILE 17 HA ILE 17 -0.471 -1.521 -1.188 371 HB ILE 17 HB ILE 17 0.781 -4.171 -0.459 372 1HG1 ILE 17 HG12 ILE 17 -2.042 -3.466 0.213 373 2HG1 ILE 17 HG11 ILE 17 -1.687 -4.078 -1.397 374 1HG2 ILE 17 HG21 ILE 17 0.113 -1.716 0.998 375 2HG2 ILE 17 HG22 ILE 17 1.274 -2.986 1.381 376 3HG2 ILE 17 HG23 ILE 17 -0.433 -3.203 1.772 377 1HD1 ILE 17 HD11 ILE 17 -1.630 -6.149 -0.637 378 2HD1 ILE 17 HD12 ILE 17 -2.135 -5.541 0.939 379 3HD1 ILE 17 HD13 ILE 17 -0.420 -5.721 0.572 380 H ALA 18 HN ALA 18 2.100 -3.301 -2.751 381 HA ALA 18 HA ALA 18 4.224 -1.935 -1.374 382 1HB ALA 18 HB1 ALA 18 5.420 -3.069 -3.534 383 2HB ALA 18 HB2 ALA 18 3.990 -4.087 -3.352 384 3HB ALA 18 HB3 ALA 18 5.114 -3.896 -2.006 385 H ASP 19 HN ASP 19 2.622 -1.683 -4.511 386 HA ASP 19 HA ASP 19 4.348 0.061 -5.800 387 1HB ASP 19 HB2 ASP 19 1.439 -0.531 -5.992 388 2HB ASP 19 HB1 ASP 19 2.016 0.933 -6.781 389 H LEU 20 HN LEU 20 1.693 0.801 -3.571 390 HA LEU 20 HA LEU 20 1.939 3.617 -3.766 391 1HB LEU 20 HB2 LEU 20 0.866 2.147 -1.377 392 2HB LEU 20 HB1 LEU 20 0.428 3.744 -1.953 393 HG LEU 20 HG LEU 20 -0.324 1.082 -3.137 394 1HD1 LEU 20 HD11 LEU 20 -1.775 1.725 -1.382 395 2HD1 LEU 20 HD12 LEU 20 -2.612 2.096 -2.890 396 3HD1 LEU 20 HD13 LEU 20 -1.852 3.389 -1.963 397 1HD2 LEU 20 HD21 LEU 20 -0.872 3.789 -4.342 398 2HD2 LEU 20 HD22 LEU 20 -1.323 2.215 -4.995 399 3HD2 LEU 20 HD23 LEU 20 0.375 2.682 -4.916 400 H GLN 21 HN GLN 21 2.994 1.341 -1.235 401 HA GLN 21 HA GLN 21 4.248 3.122 0.452 402 1HB GLN 21 HB2 GLN 21 3.878 0.539 0.623 403 2HB GLN 21 HB1 GLN 21 5.492 0.448 -0.071 404 1HG GLN 21 HG2 GLN 21 6.094 2.110 1.850 405 2HG GLN 21 HG1 GLN 21 4.624 1.472 2.587 406 1HE2 GLN 21 HE21 GLN 21 4.624 -1.117 2.015 407 2HE2 GLN 21 HE22 GLN 21 6.022 -1.908 2.650 408 H ALA 22 HN ALA 22 5.428 1.757 -2.554 409 HA ALA 22 HA ALA 22 8.123 2.644 -2.235 410 1HB ALA 22 HB1 ALA 22 7.704 0.798 -3.691 411 2HB ALA 22 HB2 ALA 22 8.296 2.135 -4.676 412 3HB ALA 22 HB3 ALA 22 6.576 1.746 -4.660 413 H LYS 23 HN LYS 23 5.192 4.057 -3.487 414 HA LYS 23 HA LYS 23 6.450 6.185 -4.913 415 1HB LYS 23 HB2 LYS 23 3.705 5.378 -4.225 416 2HB LYS 23 HB1 LYS 23 3.939 7.114 -4.378 417 1HG LYS 23 HG2 LYS 23 3.209 6.124 -6.476 418 2HG LYS 23 HG1 LYS 23 4.826 6.815 -6.622 419 1HD LYS 23 HD2 LYS 23 5.576 4.856 -7.356 420 2HD LYS 23 HD1 LYS 23 5.141 4.124 -5.811 421 1HE LYS 23 HE2 LYS 23 2.975 3.540 -6.611 422 2HE LYS 23 HE1 LYS 23 3.190 4.501 -8.073 423 1HZ LYS 23 HZ1 LYS 23 3.579 1.885 -7.990 424 2HZ LYS 23 HZ2 LYS 23 5.145 2.397 -7.611 425 3HZ LYS 23 HZ3 LYS 23 4.418 2.901 -9.051 426 H ARG 24 HN ARG 24 5.245 5.769 -1.638 427 HA ARG 24 HA ARG 24 5.359 8.503 -0.893 428 1HB ARG 24 HB2 ARG 24 4.822 5.957 0.391 429 2HB ARG 24 HB1 ARG 24 5.763 7.016 1.434 430 1HG ARG 24 HG2 ARG 24 3.951 8.781 0.694 431 2HG ARG 24 HG1 ARG 24 2.998 7.325 0.409 432 1HD ARG 24 HD2 ARG 24 2.598 7.120 2.581 433 2HD ARG 24 HD1 ARG 24 4.326 7.094 2.923 434 HE ARG 24 HE ARG 24 3.096 9.699 2.516 435 1HH1 ARG 24 HH11 ARG 24 4.272 7.312 4.781 436 2HH1 ARG 24 HH12 ARG 24 4.413 8.441 6.084 437 1HH2 ARG 24 HH21 ARG 24 3.279 11.178 4.234 438 2HH2 ARG 24 HH22 ARG 24 3.848 10.633 5.776 439 H THR 25 HN THR 25 7.634 5.807 -0.435 440 HA THR 25 HA THR 25 9.574 7.210 1.008 441 HB THR 25 HB THR 25 10.533 5.156 -0.883 442 HG1 THR 25 HG1 THR 25 9.108 3.716 -0.394 443 1HG2 THR 25 HG21 THR 25 11.240 6.115 1.685 444 2HG2 THR 25 HG22 THR 25 12.070 4.931 0.677 445 3HG2 THR 25 HG23 THR 25 10.835 4.404 1.821 446 H ARG 26 HN ARG 26 9.487 6.483 -2.481 447 HA ARG 26 HA ARG 26 11.778 7.797 -3.258 448 1HB ARG 26 HB2 ARG 26 10.730 8.043 -5.476 449 2HB ARG 26 HB1 ARG 26 10.479 6.439 -4.802 450 1HG ARG 26 HG2 ARG 26 8.214 7.053 -4.152 451 2HG ARG 26 HG1 ARG 26 8.463 8.676 -4.800 452 1HD ARG 26 HD2 ARG 26 8.537 6.098 -6.363 453 2HD ARG 26 HD1 ARG 26 7.236 7.285 -6.381 454 HE ARG 26 HE ARG 26 9.770 7.453 -7.751 455 1HH1 ARG 26 HH11 ARG 26 7.010 9.224 -6.555 456 2HH1 ARG 26 HH12 ARG 26 7.234 10.551 -7.644 457 1HH2 ARG 26 HH21 ARG 26 10.064 9.197 -9.182 458 2HH2 ARG 26 HH22 ARG 26 8.967 10.537 -9.136 459 H LEU 27 HN LEU 27 8.538 9.133 -2.795 460 HA LEU 27 HA LEU 27 9.150 11.760 -3.619 461 1HB LEU 27 HB2 LEU 27 6.955 10.421 -2.185 462 2HB LEU 27 HB1 LEU 27 7.163 12.117 -1.786 463 HG LEU 27 HG LEU 27 7.235 12.266 -4.481 464 1HD1 LEU 27 HD11 LEU 27 5.603 10.808 -5.455 465 2HD1 LEU 27 HD12 LEU 27 5.270 10.062 -3.891 466 3HD1 LEU 27 HD13 LEU 27 6.836 9.825 -4.668 467 1HD2 LEU 27 HD21 LEU 27 5.265 13.388 -4.280 468 2HD2 LEU 27 HD22 LEU 27 5.696 13.280 -2.573 469 3HD2 LEU 27 HD23 LEU 27 4.534 12.148 -3.263 470 H VAL 28 HN VAL 28 9.384 10.094 -0.514 471 HA VAL 28 HA VAL 28 9.958 12.353 1.072 472 HB VAL 28 HB VAL 28 11.002 9.562 1.518 473 1HG1 VAL 28 HG11 VAL 28 11.927 11.479 2.883 474 2HG1 VAL 28 HG12 VAL 28 11.216 10.148 3.796 475 3HG1 VAL 28 HG13 VAL 28 10.311 11.646 3.572 476 1HG2 VAL 28 HG21 VAL 28 8.696 10.121 3.092 477 2HG2 VAL 28 HG22 VAL 28 8.927 8.856 1.886 478 3HG2 VAL 28 HG23 VAL 28 8.309 10.434 1.400 479 H GLN 29 HN GLN 29 12.058 10.069 -0.635 480 HA GLN 29 HA GLN 29 14.534 11.032 0.138 481 1HB GLN 29 HB2 GLN 29 13.675 9.935 -2.548 482 2HB GLN 29 HB1 GLN 29 15.349 10.187 -2.074 483 1HG GLN 29 HG2 GLN 29 13.726 8.578 -0.221 484 2HG GLN 29 HG1 GLN 29 14.040 7.858 -1.800 485 1HE2 GLN 29 HE21 GLN 29 15.602 9.334 0.994 486 2HE2 GLN 29 HE22 GLN 29 17.093 8.474 0.844 487 H GLN 30 HN GLN 30 12.192 12.349 -2.067 488 HA GLN 30 HA GLN 30 13.918 14.267 -3.288 489 1HB GLN 30 HB2 GLN 30 11.645 13.362 -4.132 490 2HB GLN 30 HB1 GLN 30 10.932 14.559 -3.060 491 1HG GLN 30 HG2 GLN 30 11.118 15.346 -5.374 492 2HG GLN 30 HG1 GLN 30 12.031 16.342 -4.242 493 1HE2 GLN 30 HE21 GLN 30 13.092 17.023 -6.255 494 2HE2 GLN 30 HE22 GLN 30 14.428 16.096 -6.835 495 H HIS 31 HN HIS 31 11.919 14.171 -0.411 496 HA HIS 31 HA HIS 31 13.039 16.767 0.364 497 1HB HIS 31 HB2 HIS 31 10.918 17.563 1.228 498 2HB HIS 31 HB1 HIS 31 10.752 17.181 -0.481 499 HD1 HIS 31 HD1 HIS 31 9.879 14.487 -0.753 500 HD2 HIS 31 HD2 HIS 31 8.795 16.652 2.617 501 HE1 HIS 31 HE1 HIS 31 7.839 13.344 0.154 502 HE2 HIS 31 HE2 HIS 31 7.361 14.528 2.324 503 HA PRO 32 HA PRO 32 13.346 13.526 3.701 504 1HB PRO 32 HB2 PRO 32 16.013 13.696 4.085 505 2HB PRO 32 HB1 PRO 32 15.302 12.668 2.834 506 1HG PRO 32 HG2 PRO 32 16.524 15.388 2.581 507 2HG PRO 32 HG1 PRO 32 16.719 13.972 1.532 508 1HD PRO 32 HD2 PRO 32 15.045 16.038 0.947 509 2HD PRO 32 HD1 PRO 32 14.747 14.371 0.421 510 H ARG 33 HN ARG 33 14.936 16.667 3.383 511 HA ARG 33 HA ARG 33 13.797 17.751 5.697 512 1HB ARG 33 HB2 ARG 33 15.862 17.899 7.114 513 2HB ARG 33 HB1 ARG 33 15.170 16.287 6.994 514 1HG ARG 33 HG2 ARG 33 17.187 16.831 4.960 515 2HG ARG 33 HG1 ARG 33 17.800 16.936 6.611 516 1HD ARG 33 HD2 ARG 33 16.062 14.628 6.034 517 2HD ARG 33 HD1 ARG 33 17.619 14.637 5.207 518 HE ARG 33 HE ARG 33 18.279 15.185 7.771 519 1HH1 ARG 33 HH11 ARG 33 16.379 12.664 6.285 520 2HH1 ARG 33 HH12 ARG 33 16.766 11.487 7.494 521 1HH2 ARG 33 HH21 ARG 33 18.790 13.638 9.363 522 2HH2 ARG 33 HH22 ARG 33 18.134 12.039 9.243 Start of MODEL 24 1 H CYS 1 HT1 CYS 1 13.695 23.239 -1.158 2 HA CYS 1 HA CYS 1 13.659 23.582 -4.066 3 1HB CYS 1 HB2 CYS 1 14.607 21.546 -2.813 4 2HB CYS 1 HB1 CYS 1 12.939 21.194 -2.373 5 HG CYS 1 HG CYS 1 14.197 20.447 -4.946 6 H GLY 2 HN GLY 2 11.663 23.135 -1.180 7 1HA GLY 2 HA2 GLY 2 9.423 24.423 -2.334 8 2HA GLY 2 HA1 GLY 2 9.200 22.681 -2.406 9 H GLY 3 HN GLY 3 7.584 24.527 -0.939 10 1HA GLY 3 HA2 GLY 3 8.332 24.312 1.845 11 2HA GLY 3 HA1 GLY 3 6.848 25.007 1.212 12 H ASP 4 HN ASP 4 8.425 21.806 1.290 13 HA ASP 4 HA ASP 4 7.640 19.741 1.840 14 1HB ASP 4 HB2 ASP 4 5.523 21.306 3.313 15 2HB ASP 4 HB1 ASP 4 5.851 19.588 3.516 16 H ASN 5 HN ASN 5 6.446 21.435 -0.436 17 HA ASN 5 HA ASN 5 3.797 20.764 -0.909 18 1HB ASN 5 HB2 ASN 5 5.383 22.293 -2.269 19 2HB ASN 5 HB1 ASN 5 5.838 20.821 -3.122 20 1HD2 ASN 5 HD21 ASN 5 2.772 22.150 -1.923 21 2HD2 ASN 5 HD22 ASN 5 1.934 22.022 -3.427 22 H ILE 6 HN ILE 6 6.684 18.872 -1.123 23 HA ILE 6 HA ILE 6 5.492 16.705 -2.598 24 HB ILE 6 HB ILE 6 8.043 16.633 -0.997 25 1HG1 ILE 6 HG12 ILE 6 7.759 17.400 -3.908 26 2HG1 ILE 6 HG11 ILE 6 7.974 18.564 -2.605 27 1HG2 ILE 6 HG21 ILE 6 8.681 14.870 -2.515 28 2HG2 ILE 6 HG22 ILE 6 7.194 15.087 -3.439 29 3HG2 ILE 6 HG23 ILE 6 7.123 14.486 -1.782 30 1HD1 ILE 6 HD11 ILE 6 9.949 16.370 -2.821 31 2HD1 ILE 6 HD12 ILE 6 10.163 18.048 -2.321 32 3HD1 ILE 6 HD13 ILE 6 9.999 17.650 -4.033 33 H GLU 7 HN GLU 7 6.479 17.333 0.738 34 HA GLU 7 HA GLU 7 5.850 14.881 1.878 35 1HB GLU 7 HB2 GLU 7 6.846 17.201 2.831 36 2HB GLU 7 HB1 GLU 7 5.215 17.285 3.484 37 1HG GLU 7 HG2 GLU 7 5.559 15.046 4.489 38 2HG GLU 7 HG1 GLU 7 7.230 15.095 3.928 39 H GLN 8 HN GLN 8 3.780 17.469 0.845 40 HA GLN 8 HA GLN 8 1.457 16.570 2.264 41 1HB GLN 8 HB2 GLN 8 1.922 18.938 1.423 42 2HB GLN 8 HB1 GLN 8 1.486 18.343 -0.172 43 1HG GLN 8 HG2 GLN 8 -0.509 19.201 0.520 44 2HG GLN 8 HG1 GLN 8 -0.676 17.529 1.052 45 1HE2 GLN 8 HE21 GLN 8 -1.261 17.215 3.076 46 2HE2 GLN 8 HE22 GLN 8 -1.142 18.366 4.359 47 H LYS 9 HN LYS 9 2.706 16.270 -1.020 48 HA LYS 9 HA LYS 9 0.499 14.937 -2.137 49 1HB LYS 9 HB2 LYS 9 3.407 15.107 -2.860 50 2HB LYS 9 HB1 LYS 9 2.328 14.044 -3.754 51 1HG LYS 9 HG2 LYS 9 0.894 16.319 -3.811 52 2HG LYS 9 HG1 LYS 9 2.529 16.980 -3.755 53 1HD LYS 9 HD2 LYS 9 2.176 14.751 -5.632 54 2HD LYS 9 HD1 LYS 9 1.243 16.197 -6.025 55 1HE LYS 9 HE2 LYS 9 4.046 16.655 -5.243 56 2HE LYS 9 HE1 LYS 9 3.810 15.802 -6.768 57 1HZ LYS 9 HZ1 LYS 9 2.838 17.605 -7.732 58 2HZ LYS 9 HZ2 LYS 9 3.870 18.406 -6.657 59 3HZ LYS 9 HZ3 LYS 9 2.233 18.221 -6.277 60 H ILE 10 HN ILE 10 3.388 13.743 -0.489 61 HA ILE 10 HA ILE 10 2.852 10.994 -0.954 62 HB ILE 10 HB ILE 10 4.393 10.605 0.991 63 1HG1 ILE 10 HG12 ILE 10 4.860 13.583 0.823 64 2HG1 ILE 10 HG11 ILE 10 3.925 12.805 2.096 65 1HG2 ILE 10 HG21 ILE 10 5.354 12.312 -1.296 66 2HG2 ILE 10 HG22 ILE 10 5.198 10.556 -1.279 67 3HG2 ILE 10 HG23 ILE 10 6.395 11.345 -0.252 68 1HD1 ILE 10 HD11 ILE 10 6.850 12.486 1.512 69 2HD1 ILE 10 HD12 ILE 10 5.960 11.457 2.635 70 3HD1 ILE 10 HD13 ILE 10 6.097 13.188 2.944 71 H ASP 11 HN ASP 11 2.125 13.186 1.745 72 HA ASP 11 HA ASP 11 1.136 11.385 3.588 73 1HB ASP 11 HB2 ASP 11 1.318 14.041 3.587 74 2HB ASP 11 HB1 ASP 11 -0.389 13.919 3.172 75 H ASP 12 HN ASP 12 -0.321 12.639 0.679 76 HA ASP 12 HA ASP 12 -2.949 11.657 1.113 77 1HB ASP 12 HB2 ASP 12 -2.330 13.383 -0.600 78 2HB ASP 12 HB1 ASP 12 -1.564 12.107 -1.542 79 H ILE 13 HN ILE 13 -0.117 10.400 -0.577 80 HA ILE 13 HA ILE 13 -1.247 7.983 -1.452 81 HB ILE 13 HB ILE 13 1.639 8.469 -0.708 82 1HG1 ILE 13 HG12 ILE 13 0.175 8.972 -3.306 83 2HG1 ILE 13 HG11 ILE 13 0.902 10.185 -2.257 84 1HG2 ILE 13 HG21 ILE 13 0.326 6.144 -1.546 85 2HG2 ILE 13 HG22 ILE 13 2.065 6.421 -1.460 86 3HG2 ILE 13 HG23 ILE 13 1.196 6.736 -2.961 87 1HD1 ILE 13 HD11 ILE 13 2.839 9.978 -3.293 88 2HD1 ILE 13 HD12 ILE 13 2.069 8.873 -4.431 89 3HD1 ILE 13 HD13 ILE 13 2.867 8.241 -2.991 90 H ASP 14 HN ASP 14 0.548 8.819 1.499 91 HA ASP 14 HA ASP 14 0.800 6.371 2.701 92 1HB ASP 14 HB2 ASP 14 1.381 8.832 3.504 93 2HB ASP 14 HB1 ASP 14 -0.117 8.639 4.408 94 H HIS 15 HN HIS 15 -2.087 8.319 2.363 95 HA HIS 15 HA HIS 15 -3.666 6.741 4.166 96 1HB HIS 15 HB2 HIS 15 -3.982 9.223 3.245 97 2HB HIS 15 HB1 HIS 15 -4.939 8.383 2.029 98 HD1 HIS 15 HD1 HIS 15 -5.569 6.331 4.724 99 HD2 HIS 15 HD2 HIS 15 -6.677 10.247 3.890 100 HE1 HIS 15 HE1 HIS 15 -7.595 6.774 6.147 101 HE2 HIS 15 HE2 HIS 15 -8.193 9.178 5.692 102 H GLU 16 HN GLU 16 -2.898 6.705 0.769 103 HA GLU 16 HA GLU 16 -4.974 4.801 0.129 104 1HB GLU 16 HB2 GLU 16 -2.661 5.524 -1.651 105 2HB GLU 16 HB1 GLU 16 -4.267 4.975 -2.113 106 1HG GLU 16 HG2 GLU 16 -3.851 7.584 -0.700 107 2HG GLU 16 HG1 GLU 16 -3.686 7.440 -2.449 108 H ILE 17 HN ILE 17 -1.572 4.780 0.878 109 HA ILE 17 HA ILE 17 -0.958 2.177 -0.035 110 HB ILE 17 HB ILE 17 0.363 3.637 2.255 111 1HG1 ILE 17 HG12 ILE 17 1.382 3.730 -0.552 112 2HG1 ILE 17 HG11 ILE 17 0.090 4.826 -0.083 113 1HG2 ILE 17 HG21 ILE 17 2.323 2.299 0.978 114 2HG2 ILE 17 HG22 ILE 17 0.963 1.213 0.696 115 3HG2 ILE 17 HG23 ILE 17 1.418 1.648 2.344 116 1HD1 ILE 17 HD11 ILE 17 2.168 4.881 1.881 117 2HD1 ILE 17 HD12 ILE 17 1.547 6.184 0.869 118 3HD1 ILE 17 HD13 ILE 17 2.846 5.149 0.275 119 H ALA 18 HN ALA 18 -2.253 3.462 2.960 120 HA ALA 18 HA ALA 18 -2.056 0.997 4.413 121 1HB ALA 18 HB1 ALA 18 -2.103 2.607 5.978 122 2HB ALA 18 HB2 ALA 18 -3.854 2.474 5.815 123 3HB ALA 18 HB3 ALA 18 -2.980 3.732 4.939 124 H ASP 19 HN ASP 19 -4.578 2.682 2.610 125 HA ASP 19 HA ASP 19 -6.803 1.225 3.384 126 1HB ASP 19 HB2 ASP 19 -6.392 3.223 1.618 127 2HB ASP 19 HB1 ASP 19 -6.609 1.881 0.500 128 H LEU 20 HN LEU 20 -4.451 0.491 0.834 129 HA LEU 20 HA LEU 20 -5.719 -1.874 -0.060 130 1HB LEU 20 HB2 LEU 20 -2.765 -1.394 -0.242 131 2HB LEU 20 HB1 LEU 20 -3.800 -2.269 -1.353 132 HG LEU 20 HG LEU 20 -3.443 0.687 -1.048 133 1HD1 LEU 20 HD11 LEU 20 -2.059 -0.034 -2.714 134 2HD1 LEU 20 HD12 LEU 20 -3.522 0.287 -3.645 135 3HD1 LEU 20 HD13 LEU 20 -3.118 -1.365 -3.175 136 1HD2 LEU 20 HD21 LEU 20 -5.432 0.434 -2.918 137 2HD2 LEU 20 HD22 LEU 20 -5.651 0.984 -1.257 138 3HD2 LEU 20 HD23 LEU 20 -5.931 -0.708 -1.671 139 H GLN 21 HN GLN 21 -2.937 -1.369 2.103 140 HA GLN 21 HA GLN 21 -2.330 -3.987 2.692 141 1HB GLN 21 HB2 GLN 21 -1.138 -1.870 3.454 142 2HB GLN 21 HB1 GLN 21 -2.307 -1.799 4.765 143 1HG GLN 21 HG2 GLN 21 -0.715 -4.282 4.315 144 2HG GLN 21 HG1 GLN 21 -0.001 -2.905 5.153 145 1HE2 GLN 21 HE21 GLN 21 -1.052 -5.724 5.872 146 2HE2 GLN 21 HE22 GLN 21 -1.956 -5.440 7.317 147 H ALA 22 HN ALA 22 -4.947 -2.019 3.946 148 HA ALA 22 HA ALA 22 -5.707 -3.786 6.041 149 1HB ALA 22 HB1 ALA 22 -6.609 -1.748 6.457 150 2HB ALA 22 HB2 ALA 22 -7.978 -2.450 5.595 151 3HB ALA 22 HB3 ALA 22 -6.855 -1.385 4.748 152 H LYS 23 HN LYS 23 -6.569 -3.482 2.652 153 HA LYS 23 HA LYS 23 -8.794 -5.223 2.683 154 1HB LYS 23 HB2 LYS 23 -7.154 -3.872 0.680 155 2HB LYS 23 HB1 LYS 23 -7.722 -5.446 0.142 156 1HG LYS 23 HG2 LYS 23 -9.551 -4.337 -0.496 157 2HG LYS 23 HG1 LYS 23 -9.989 -4.392 1.212 158 1HD LYS 23 HD2 LYS 23 -10.123 -2.158 1.047 159 2HD LYS 23 HD1 LYS 23 -8.360 -2.200 1.117 160 1HE LYS 23 HE2 LYS 23 -8.439 -2.451 -1.421 161 2HE LYS 23 HE1 LYS 23 -10.134 -1.983 -1.298 162 1HZ LYS 23 HZ1 LYS 23 -9.461 0.084 -0.257 163 2HZ LYS 23 HZ2 LYS 23 -8.706 -0.085 -1.762 164 3HZ LYS 23 HZ3 LYS 23 -7.832 -0.368 -0.342 165 H ARG 24 HN ARG 24 -5.340 -5.760 2.316 166 HA ARG 24 HA ARG 24 -5.517 -8.467 1.480 167 1HB ARG 24 HB2 ARG 24 -3.430 -6.576 2.188 168 2HB ARG 24 HB1 ARG 24 -3.075 -8.184 2.802 169 1HG ARG 24 HG2 ARG 24 -3.720 -8.913 0.367 170 2HG ARG 24 HG1 ARG 24 -3.322 -7.234 -0.002 171 1HD ARG 24 HD2 ARG 24 -1.164 -7.739 0.009 172 2HD ARG 24 HD1 ARG 24 -1.291 -8.255 1.690 173 HE ARG 24 HE ARG 24 -2.085 -10.188 -0.329 174 1HH1 ARG 24 HH11 ARG 24 0.417 -9.050 1.828 175 2HH1 ARG 24 HH12 ARG 24 1.281 -10.549 1.812 176 1HH2 ARG 24 HH21 ARG 24 -0.943 -12.155 -0.349 177 2HH2 ARG 24 HH22 ARG 24 0.513 -12.310 0.576 178 H THR 25 HN THR 25 -5.060 -6.946 4.652 179 HA THR 25 HA THR 25 -4.694 -9.305 6.129 180 HB THR 25 HB THR 25 -6.100 -7.091 7.474 181 HG1 THR 25 HG1 THR 25 -4.973 -5.644 6.449 182 1HG2 THR 25 HG21 THR 25 -3.395 -7.678 8.315 183 2HG2 THR 25 HG22 THR 25 -4.416 -9.115 8.268 184 3HG2 THR 25 HG23 THR 25 -4.903 -7.718 9.229 185 H ARG 26 HN ARG 26 -7.637 -7.323 5.754 186 HA ARG 26 HA ARG 26 -9.392 -8.874 7.194 187 1HB ARG 26 HB2 ARG 26 -11.182 -7.897 5.874 188 2HB ARG 26 HB1 ARG 26 -9.959 -6.682 6.217 189 1HG ARG 26 HG2 ARG 26 -9.071 -6.892 3.980 190 2HG ARG 26 HG1 ARG 26 -10.207 -8.196 3.625 191 1HD ARG 26 HD2 ARG 26 -11.803 -6.118 4.546 192 2HD ARG 26 HD1 ARG 26 -10.591 -5.325 3.539 193 HE ARG 26 HE ARG 26 -11.541 -6.289 1.692 194 1HH1 ARG 26 HH11 ARG 26 -12.744 -7.890 4.550 195 2HH1 ARG 26 HH12 ARG 26 -13.934 -8.806 3.687 196 1HH2 ARG 26 HH21 ARG 26 -13.105 -7.493 0.556 197 2HH2 ARG 26 HH22 ARG 26 -14.138 -8.582 1.420 198 H LEU 27 HN LEU 27 -8.389 -9.266 3.831 199 HA LEU 27 HA LEU 27 -10.102 -11.431 3.237 200 1HB LEU 27 HB2 LEU 27 -7.735 -10.173 2.006 201 2HB LEU 27 HB1 LEU 27 -7.971 -11.866 1.609 202 HG LEU 27 HG LEU 27 -10.486 -10.812 1.227 203 1HD1 LEU 27 HD11 LEU 27 -8.417 -8.783 0.421 204 2HD1 LEU 27 HD12 LEU 27 -9.841 -8.544 1.435 205 3HD1 LEU 27 HD13 LEU 27 -10.028 -8.857 -0.291 206 1HD2 LEU 27 HD21 LEU 27 -8.635 -10.792 -1.083 207 2HD2 LEU 27 HD22 LEU 27 -10.209 -11.565 -0.893 208 3HD2 LEU 27 HD23 LEU 27 -8.773 -12.299 -0.178 209 H VAL 28 HN VAL 28 -6.871 -11.219 4.634 210 HA VAL 28 HA VAL 28 -6.244 -13.965 4.567 211 HB VAL 28 HB VAL 28 -5.380 -11.976 6.664 212 1HG1 VAL 28 HG11 VAL 28 -4.522 -14.720 5.916 213 2HG1 VAL 28 HG12 VAL 28 -4.633 -13.963 7.505 214 3HG1 VAL 28 HG13 VAL 28 -3.286 -13.574 6.436 215 1HG2 VAL 28 HG21 VAL 28 -4.834 -12.026 3.857 216 2HG2 VAL 28 HG22 VAL 28 -3.350 -12.376 4.743 217 3HG2 VAL 28 HG23 VAL 28 -4.251 -10.898 5.080 218 H GLN 29 HN GLN 29 -7.829 -11.963 7.020 219 HA GLN 29 HA GLN 29 -8.157 -13.840 9.028 220 1HB GLN 29 HB2 GLN 29 -9.435 -11.324 8.255 221 2HB GLN 29 HB1 GLN 29 -10.533 -12.418 9.085 222 1HG GLN 29 HG2 GLN 29 -9.505 -10.956 10.682 223 2HG GLN 29 HG1 GLN 29 -8.914 -12.599 10.932 224 1HE2 GLN 29 HE21 GLN 29 -7.017 -12.040 11.908 225 2HE2 GLN 29 HE22 GLN 29 -5.729 -11.225 11.093 226 H GLN 30 HN GLN 30 -9.840 -13.437 6.004 227 HA GLN 30 HA GLN 30 -11.994 -15.212 6.564 228 1HB GLN 30 HB2 GLN 30 -11.842 -13.424 4.723 229 2HB GLN 30 HB1 GLN 30 -10.914 -14.611 3.817 230 1HG GLN 30 HG2 GLN 30 -12.883 -15.264 3.013 231 2HG GLN 30 HG1 GLN 30 -13.096 -16.061 4.570 232 1HE2 GLN 30 HE21 GLN 30 -13.899 -13.268 2.643 233 2HE2 GLN 30 HE22 GLN 30 -15.252 -12.758 3.588 234 H HIS 31 HN HIS 31 -8.719 -15.590 5.379 235 HA HIS 31 HA HIS 31 -9.084 -18.494 5.515 236 1HB HIS 31 HB2 HIS 31 -7.851 -18.874 3.458 237 2HB HIS 31 HB1 HIS 31 -9.257 -17.868 3.132 238 HD1 HIS 31 HD1 HIS 31 -8.537 -15.136 3.274 239 HD2 HIS 31 HD2 HIS 31 -5.661 -17.929 2.201 240 HE1 HIS 31 HE1 HIS 31 -6.767 -13.845 2.051 241 HE2 HIS 31 HE2 HIS 31 -4.944 -15.522 1.609 242 HA PRO 32 HA PRO 32 -5.264 -17.022 7.718 243 1HB PRO 32 HB2 PRO 32 -5.777 -18.212 10.084 244 2HB PRO 32 HB1 PRO 32 -6.442 -16.629 9.661 245 1HG PRO 32 HG2 PRO 32 -7.747 -19.322 9.553 246 2HG PRO 32 HG1 PRO 32 -8.406 -17.783 10.137 247 1HD PRO 32 HD2 PRO 32 -8.955 -18.800 7.671 248 2HD PRO 32 HD1 PRO 32 -8.926 -17.060 8.019 249 H ARG 33 HN ARG 33 -6.854 -20.145 7.490 250 HA ARG 33 HA ARG 33 -4.327 -21.421 6.913 251 1HB ARG 33 HB2 ARG 33 -4.659 -23.198 8.634 252 2HB ARG 33 HB1 ARG 33 -4.282 -21.618 9.308 253 1HG ARG 33 HG2 ARG 33 -7.145 -22.123 9.029 254 2HG ARG 33 HG1 ARG 33 -6.321 -23.243 10.114 255 1HD ARG 33 HD2 ARG 33 -5.565 -20.430 10.458 256 2HD ARG 33 HD1 ARG 33 -7.254 -20.782 10.819 257 HE ARG 33 HE ARG 33 -5.917 -22.722 12.149 258 1HH1 ARG 33 HH11 ARG 33 -5.640 -19.245 12.080 259 2HH1 ARG 33 HH12 ARG 33 -5.078 -19.132 13.714 260 1HH2 ARG 33 HH21 ARG 33 -5.177 -22.576 14.299 261 2HH2 ARG 33 HH22 ARG 33 -4.814 -21.023 14.974 262 H CYS 1 HN CYS 1 -14.849 -19.969 -5.944 263 HA CYS 1 HA CYS 1 -12.794 -19.627 -4.631 264 1HB CYS 1 HB2 CYS 1 -15.043 -18.159 -4.386 265 2HB CYS 1 HB1 CYS 1 -14.874 -18.715 -2.724 266 HG CYS 1 HG CYS 1 -13.279 -16.526 -3.980 267 H GLY 2 HN GLY 2 -11.898 -21.568 -3.900 268 1HA GLY 2 HA2 GLY 2 -12.434 -22.114 -1.083 269 2HA GLY 2 HA1 GLY 2 -12.649 -23.456 -2.197 270 H GLY 3 HN GLY 3 -10.774 -23.271 -0.008 271 1HA GLY 3 HA2 GLY 3 -8.637 -24.113 0.295 272 2HA GLY 3 HA1 GLY 3 -8.411 -24.077 -1.447 273 H ASP 4 HN ASP 4 -7.483 -22.293 -2.412 274 HA ASP 4 HA ASP 4 -6.504 -20.204 -0.578 275 1HB ASP 4 HB2 ASP 4 -5.042 -21.463 -2.900 276 2HB ASP 4 HB1 ASP 4 -4.451 -20.103 -1.949 277 H ASN 5 HN ASN 5 -8.749 -20.518 -2.705 278 HA ASN 5 HA ASN 5 -8.288 -18.885 -4.890 279 1HB ASN 5 HB2 ASN 5 -10.684 -19.716 -3.355 280 2HB ASN 5 HB1 ASN 5 -10.870 -18.279 -4.356 281 1HD2 ASN 5 HD21 ASN 5 -9.502 -18.738 -6.556 282 2HD2 ASN 5 HD22 ASN 5 -10.058 -20.151 -7.378 283 H ILE 6 HN ILE 6 -8.818 -18.094 -1.556 284 HA ILE 6 HA ILE 6 -9.237 -15.284 -1.990 285 HB ILE 6 HB ILE 6 -8.445 -16.640 0.582 286 1HG1 ILE 6 HG12 ILE 6 -11.251 -16.139 -0.434 287 2HG1 ILE 6 HG11 ILE 6 -10.451 -17.707 -0.475 288 1HG2 ILE 6 HG21 ILE 6 -10.004 -14.110 0.083 289 2HG2 ILE 6 HG22 ILE 6 -8.292 -14.181 0.494 290 3HG2 ILE 6 HG23 ILE 6 -9.500 -14.751 1.647 291 1HD1 ILE 6 HD11 ILE 6 -12.022 -16.710 1.557 292 2HD1 ILE 6 HD12 ILE 6 -10.376 -16.524 2.164 293 3HD1 ILE 6 HD13 ILE 6 -10.952 -18.110 1.646 294 H GLU 7 HN GLU 7 -6.599 -17.360 -0.899 295 HA GLU 7 HA GLU 7 -4.696 -15.432 -0.290 296 1HB GLU 7 HB2 GLU 7 -4.737 -18.154 -0.301 297 2HB GLU 7 HB1 GLU 7 -3.666 -17.834 -1.658 298 1HG GLU 7 HG2 GLU 7 -2.514 -16.209 0.048 299 2HG GLU 7 HG1 GLU 7 -3.295 -17.254 1.234 300 H GLN 8 HN GLN 8 -5.844 -16.563 -3.364 301 HA GLN 8 HA GLN 8 -3.680 -15.470 -4.898 302 1HB GLN 8 HB2 GLN 8 -5.424 -17.368 -5.487 303 2HB GLN 8 HB1 GLN 8 -6.373 -16.011 -6.080 304 1HG GLN 8 HG2 GLN 8 -5.186 -16.863 -7.927 305 2HG GLN 8 HG1 GLN 8 -4.385 -15.360 -7.469 306 1HE2 GLN 8 HE21 GLN 8 -2.324 -15.642 -7.980 307 2HE2 GLN 8 HE22 GLN 8 -1.339 -16.974 -7.491 308 H LYS 9 HN LYS 9 -6.943 -14.490 -4.010 309 HA LYS 9 HA LYS 9 -7.097 -12.163 -5.572 310 1HB LYS 9 HB2 LYS 9 -8.854 -13.469 -4.023 311 2HB LYS 9 HB1 LYS 9 -8.418 -12.177 -2.913 312 1HG LYS 9 HG2 LYS 9 -9.026 -10.526 -4.634 313 2HG LYS 9 HG1 LYS 9 -9.529 -11.846 -5.692 314 1HD LYS 9 HD2 LYS 9 -11.460 -12.160 -4.580 315 2HD LYS 9 HD1 LYS 9 -10.702 -11.926 -3.004 316 1HE LYS 9 HE2 LYS 9 -11.648 -9.813 -4.928 317 2HE LYS 9 HE1 LYS 9 -12.273 -10.161 -3.317 318 1HZ LYS 9 HZ1 LYS 9 -9.828 -9.622 -2.636 319 2HZ LYS 9 HZ2 LYS 9 -10.938 -8.374 -2.895 320 3HZ LYS 9 HZ3 LYS 9 -9.813 -8.766 -4.096 321 H ILE 10 HN ILE 10 -5.935 -12.707 -2.274 322 HA ILE 10 HA ILE 10 -5.407 -9.981 -1.706 323 HB ILE 10 HB ILE 10 -3.845 -10.897 0.048 324 1HG1 ILE 10 HG12 ILE 10 -5.040 -13.553 -0.755 325 2HG1 ILE 10 HG11 ILE 10 -3.397 -13.051 -1.143 326 1HG2 ILE 10 HG21 ILE 10 -5.680 -11.695 1.466 327 2HG2 ILE 10 HG22 ILE 10 -6.699 -11.859 0.035 328 3HG2 ILE 10 HG23 ILE 10 -6.134 -10.265 0.538 329 1HD1 ILE 10 HD11 ILE 10 -2.984 -12.809 1.304 330 2HD1 ILE 10 HD12 ILE 10 -3.302 -14.458 0.764 331 3HD1 ILE 10 HD13 ILE 10 -4.567 -13.537 1.579 332 H ASP 11 HN ASP 11 -3.391 -12.614 -2.975 333 HA ASP 11 HA ASP 11 -0.911 -11.419 -2.957 334 1HB ASP 11 HB2 ASP 11 -1.891 -13.731 -3.993 335 2HB ASP 11 HB1 ASP 11 -1.587 -12.824 -5.472 336 H ASP 12 HN ASP 12 -3.630 -10.865 -5.074 337 HA ASP 12 HA ASP 12 -2.288 -9.238 -6.979 338 1HB ASP 12 HB2 ASP 12 -4.727 -10.346 -6.947 339 2HB ASP 12 HB1 ASP 12 -5.163 -8.739 -6.371 340 H ILE 13 HN ILE 13 -4.179 -8.558 -4.073 341 HA ILE 13 HA ILE 13 -3.996 -5.758 -4.143 342 HB ILE 13 HB ILE 13 -4.115 -7.488 -1.669 343 1HG1 ILE 13 HG12 ILE 13 -6.336 -6.473 -3.452 344 2HG1 ILE 13 HG11 ILE 13 -5.887 -8.154 -3.181 345 1HG2 ILE 13 HG21 ILE 13 -5.559 -4.956 -1.684 346 2HG2 ILE 13 HG22 ILE 13 -3.817 -4.766 -1.878 347 3HG2 ILE 13 HG23 ILE 13 -4.459 -5.627 -0.480 348 1HD1 ILE 13 HD11 ILE 13 -7.753 -6.578 -1.765 349 2HD1 ILE 13 HD12 ILE 13 -6.433 -6.969 -0.663 350 3HD1 ILE 13 HD13 ILE 13 -7.301 -8.261 -1.493 351 H ASP 14 HN ASP 14 -1.937 -8.214 -2.610 352 HA ASP 14 HA ASP 14 -0.144 -6.630 -1.258 353 1HB ASP 14 HB2 ASP 14 -0.308 -9.270 -1.701 354 2HB ASP 14 HB1 ASP 14 1.008 -8.890 -2.808 355 H HIS 15 HN HIS 15 -0.387 -7.195 -4.702 356 HA HIS 15 HA HIS 15 2.137 -5.994 -5.341 357 1HB HIS 15 HB2 HIS 15 0.900 -7.676 -6.777 358 2HB HIS 15 HB1 HIS 15 -0.221 -6.382 -7.188 359 HD1 HIS 15 HD1 HIS 15 3.139 -5.070 -6.901 360 HD2 HIS 15 HD2 HIS 15 0.911 -6.962 -9.854 361 HE1 HIS 15 HE1 HIS 15 4.341 -4.594 -9.058 362 HE2 HIS 15 HE2 HIS 15 2.927 -5.677 -10.841 363 H GLU 16 HN GLU 16 -1.129 -4.911 -4.865 364 HA GLU 16 HA GLU 16 -0.643 -2.318 -6.050 365 1HB GLU 16 HB2 GLU 16 -3.027 -3.079 -4.377 366 2HB GLU 16 HB1 GLU 16 -2.922 -1.846 -5.629 367 1HG GLU 16 HG2 GLU 16 -2.901 -3.449 -7.350 368 2HG GLU 16 HG1 GLU 16 -2.575 -4.767 -6.224 369 H ILE 17 HN ILE 17 -0.783 -3.763 -2.869 370 HA ILE 17 HA ILE 17 -0.875 -1.393 -1.343 371 HB ILE 17 HB ILE 17 0.416 -3.995 -0.516 372 1HG1 ILE 17 HG12 ILE 17 -2.425 -3.325 0.116 373 2HG1 ILE 17 HG11 ILE 17 -2.051 -3.979 -1.473 374 1HG2 ILE 17 HG21 ILE 17 -0.311 -1.503 0.847 375 2HG2 ILE 17 HG22 ILE 17 0.873 -2.735 1.283 376 3HG2 ILE 17 HG23 ILE 17 -0.832 -2.973 1.671 377 1HD1 ILE 17 HD11 ILE 17 -2.499 -5.387 0.886 378 2HD1 ILE 17 HD12 ILE 17 -0.769 -5.526 0.576 379 3HD1 ILE 17 HD13 ILE 17 -1.928 -6.027 -0.653 380 H ALA 18 HN ALA 18 1.723 -3.193 -2.843 381 HA ALA 18 HA ALA 18 3.822 -1.727 -1.520 382 1HB ALA 18 HB1 ALA 18 5.084 -2.948 -3.564 383 2HB ALA 18 HB2 ALA 18 3.648 -3.962 -3.432 384 3HB ALA 18 HB3 ALA 18 4.701 -3.738 -2.034 385 H ASP 19 HN ASP 19 2.186 -1.650 -4.639 386 HA ASP 19 HA ASP 19 3.878 0.020 -6.062 387 1HB ASP 19 HB2 ASP 19 1.513 -1.139 -6.610 388 2HB ASP 19 HB1 ASP 19 0.967 0.516 -6.358 389 H LEU 20 HN LEU 20 1.287 0.878 -3.804 390 HA LEU 20 HA LEU 20 1.578 3.687 -4.125 391 1HB LEU 20 HB2 LEU 20 0.475 2.368 -1.669 392 2HB LEU 20 HB1 LEU 20 0.037 3.915 -2.368 393 HG LEU 20 HG LEU 20 -0.699 1.170 -3.352 394 1HD1 LEU 20 HD11 LEU 20 -2.988 2.137 -3.174 395 2HD1 LEU 20 HD12 LEU 20 -2.271 3.561 -2.422 396 3HD1 LEU 20 HD13 LEU 20 -2.139 1.988 -1.637 397 1HD2 LEU 20 HD21 LEU 20 -1.948 3.105 -4.955 398 2HD2 LEU 20 HD22 LEU 20 -0.738 1.918 -5.441 399 3HD2 LEU 20 HD23 LEU 20 -0.236 3.527 -4.921 400 H GLN 21 HN GLN 21 2.654 1.428 -1.597 401 HA GLN 21 HA GLN 21 3.934 3.250 0.060 402 1HB GLN 21 HB2 GLN 21 3.535 0.595 0.164 403 2HB GLN 21 HB1 GLN 21 5.233 0.605 -0.294 404 1HG GLN 21 HG2 GLN 21 5.913 1.444 1.697 405 2HG GLN 21 HG1 GLN 21 4.433 2.370 1.940 406 1HE2 GLN 21 HE21 GLN 21 5.302 -1.052 1.539 407 2HE2 GLN 21 HE22 GLN 21 4.386 -1.619 2.890 408 H ALA 22 HN ALA 22 5.033 1.761 -2.916 409 HA ALA 22 HA ALA 22 7.762 2.526 -2.673 410 1HB ALA 22 HB1 ALA 22 7.655 2.166 -5.249 411 2HB ALA 22 HB2 ALA 22 6.045 1.532 -4.906 412 3HB ALA 22 HB3 ALA 22 7.463 0.790 -4.163 413 H LYS 23 HN LYS 23 4.892 4.059 -3.973 414 HA LYS 23 HA LYS 23 6.241 6.153 -5.346 415 1HB LYS 23 HB2 LYS 23 3.420 5.653 -4.485 416 2HB LYS 23 HB1 LYS 23 3.876 7.258 -5.040 417 1HG LYS 23 HG2 LYS 23 3.962 6.624 -7.181 418 2HG LYS 23 HG1 LYS 23 4.769 5.102 -6.799 419 1HD LYS 23 HD2 LYS 23 2.811 4.179 -7.412 420 2HD LYS 23 HD1 LYS 23 2.293 4.643 -5.789 421 1HE LYS 23 HE2 LYS 23 0.923 6.254 -6.555 422 2HE LYS 23 HE1 LYS 23 2.055 6.762 -7.807 423 1HZ LYS 23 HZ1 LYS 23 0.494 5.855 -9.133 424 2HZ LYS 23 HZ2 LYS 23 -0.108 4.823 -7.937 425 3HZ LYS 23 HZ3 LYS 23 1.303 4.413 -8.774 426 H ARG 24 HN ARG 24 5.088 5.718 -2.069 427 HA ARG 24 HA ARG 24 5.276 8.438 -1.271 428 1HB ARG 24 HB2 ARG 24 4.658 5.891 -0.048 429 2HB ARG 24 HB1 ARG 24 5.693 6.848 1.002 430 1HG ARG 24 HG2 ARG 24 3.962 8.745 0.395 431 2HG ARG 24 HG1 ARG 24 2.917 7.354 0.097 432 1HD ARG 24 HD2 ARG 24 2.566 7.140 2.274 433 2HD ARG 24 HD1 ARG 24 4.293 6.909 2.537 434 HE ARG 24 HE ARG 24 3.363 9.652 2.298 435 1HH1 ARG 24 HH11 ARG 24 4.281 7.032 4.419 436 2HH1 ARG 24 HH12 ARG 24 4.590 8.071 5.768 437 1HH2 ARG 24 HH21 ARG 24 3.768 11.014 4.074 438 2HH2 ARG 24 HH22 ARG 24 4.298 10.328 5.573 439 H THR 25 HN THR 25 7.484 5.670 -0.968 440 HA THR 25 HA THR 25 9.497 6.989 0.477 441 HB THR 25 HB THR 25 10.371 4.924 -1.437 442 HG1 THR 25 HG1 THR 25 8.415 4.377 0.542 443 1HG2 THR 25 HG21 THR 25 10.697 5.480 1.468 444 2HG2 THR 25 HG22 THR 25 11.920 5.215 0.225 445 3HG2 THR 25 HG23 THR 25 10.987 3.854 0.849 446 H ARG 26 HN ARG 26 9.353 6.268 -3.018 447 HA ARG 26 HA ARG 26 11.661 7.534 -3.818 448 1HB ARG 26 HB2 ARG 26 10.673 7.742 -6.020 449 2HB ARG 26 HB1 ARG 26 10.198 6.206 -5.310 450 1HG ARG 26 HG2 ARG 26 8.015 7.115 -4.753 451 2HG ARG 26 HG1 ARG 26 8.490 8.684 -5.408 452 1HD ARG 26 HD2 ARG 26 9.053 6.976 -7.479 453 2HD ARG 26 HD1 ARG 26 7.598 6.266 -6.783 454 HE ARG 26 HE ARG 26 7.011 8.917 -6.993 455 1HH1 ARG 26 HH11 ARG 26 8.105 6.474 -9.231 456 2HH1 ARG 26 HH12 ARG 26 7.326 7.199 -10.597 457 1HH2 ARG 26 HH21 ARG 26 5.986 9.873 -8.788 458 2HH2 ARG 26 HH22 ARG 26 6.124 9.129 -10.347 459 H LEU 27 HN LEU 27 8.473 8.945 -3.267 460 HA LEU 27 HA LEU 27 9.102 11.565 -4.087 461 1HB LEU 27 HB2 LEU 27 6.995 10.325 -2.383 462 2HB LEU 27 HB1 LEU 27 7.200 12.064 -2.305 463 HG LEU 27 HG LEU 27 6.947 10.830 -4.999 464 1HD1 LEU 27 HD11 LEU 27 5.161 9.986 -3.195 465 2HD1 LEU 27 HD12 LEU 27 4.754 10.301 -4.881 466 3HD1 LEU 27 HD13 LEU 27 4.414 11.518 -3.650 467 1HD2 LEU 27 HD21 LEU 27 5.577 13.282 -3.977 468 2HD2 LEU 27 HD22 LEU 27 6.127 12.903 -5.610 469 3HD2 LEU 27 HD23 LEU 27 7.298 13.321 -4.359 470 H VAL 28 HN VAL 28 9.406 9.877 -1.000 471 HA VAL 28 HA VAL 28 10.150 12.115 0.555 472 HB VAL 28 HB VAL 28 11.047 9.269 0.991 473 1HG1 VAL 28 HG11 VAL 28 11.920 11.403 2.307 474 2HG1 VAL 28 HG12 VAL 28 11.639 9.857 3.107 475 3HG1 VAL 28 HG13 VAL 28 10.428 11.135 3.209 476 1HG2 VAL 28 HG21 VAL 28 8.843 9.884 2.641 477 2HG2 VAL 28 HG22 VAL 28 8.929 8.696 1.341 478 3HG2 VAL 28 HG23 VAL 28 8.397 10.341 0.997 479 H GLN 29 HN GLN 29 12.019 9.729 -1.264 480 HA GLN 29 HA GLN 29 14.590 10.492 -0.577 481 1HB GLN 29 HB2 GLN 29 13.675 9.641 -3.333 482 2HB GLN 29 HB1 GLN 29 15.307 9.525 -2.690 483 1HG GLN 29 HG2 GLN 29 13.253 8.168 -1.096 484 2HG GLN 29 HG1 GLN 29 13.508 7.507 -2.711 485 1HE2 GLN 29 HE21 GLN 29 14.132 6.468 0.002 486 2HE2 GLN 29 HE22 GLN 29 15.813 6.074 -0.043 487 H GLN 30 HN GLN 30 12.251 12.056 -2.606 488 HA GLN 30 HA GLN 30 14.103 13.879 -3.830 489 1HB GLN 30 HB2 GLN 30 11.105 14.174 -3.621 490 2HB GLN 30 HB1 GLN 30 12.173 14.924 -4.799 491 1HG GLN 30 HG2 GLN 30 12.723 12.388 -5.347 492 2HG GLN 30 HG1 GLN 30 11.103 12.167 -4.688 493 1HE2 GLN 30 HE21 GLN 30 10.754 11.414 -6.935 494 2HE2 GLN 30 HE22 GLN 30 10.304 12.590 -8.119 495 H HIS 31 HN HIS 31 12.096 13.823 -0.961 496 HA HIS 31 HA HIS 31 13.305 16.371 -0.155 497 1HB HIS 31 HB2 HIS 31 11.226 17.233 0.716 498 2HB HIS 31 HB1 HIS 31 11.002 16.823 -0.981 499 HD1 HIS 31 HD1 HIS 31 9.972 14.226 -1.246 500 HD2 HIS 31 HD2 HIS 31 9.193 16.328 2.246 501 HE1 HIS 31 HE1 HIS 31 7.946 13.138 -0.242 502 HE2 HIS 31 HE2 HIS 31 7.644 14.282 1.979 503 HA PRO 32 HA PRO 32 13.353 13.110 3.195 504 1HB PRO 32 HB2 PRO 32 15.935 12.419 3.171 505 2HB PRO 32 HB1 PRO 32 14.786 11.712 2.028 506 1HG PRO 32 HG2 PRO 32 16.782 13.897 1.603 507 2HG PRO 32 HG1 PRO 32 16.343 12.556 0.530 508 1HD PRO 32 HD2 PRO 32 15.380 15.137 0.300 509 2HD PRO 32 HD1 PRO 32 14.575 13.698 -0.353 510 H ARG 33 HN ARG 33 15.740 15.604 2.435 511 HA ARG 33 HA ARG 33 15.399 16.882 4.958 512 1HB ARG 33 HB2 ARG 33 17.816 16.619 5.659 513 2HB ARG 33 HB1 ARG 33 16.805 15.194 5.854 514 1HG ARG 33 HG2 ARG 33 17.966 15.092 3.268 515 2HG ARG 33 HG1 ARG 33 19.241 15.460 4.431 516 1HD ARG 33 HD2 ARG 33 18.232 13.538 5.816 517 2HD ARG 33 HD1 ARG 33 17.418 13.082 4.320 518 HE ARG 33 HE ARG 33 20.160 13.433 3.813 519 1HH1 ARG 33 HH11 ARG 33 17.991 11.253 5.462 520 2HH1 ARG 33 HH12 ARG 33 19.027 9.878 5.273 521 1HH2 ARG 33 HH21 ARG 33 21.524 11.625 3.562 522 2HH2 ARG 33 HH22 ARG 33 21.033 10.089 4.195 Start of MODEL 25 1 H CYS 1 HT1 CYS 1 12.579 17.524 3.462 2 HA CYS 1 HA CYS 1 12.405 20.255 4.520 3 1HB CYS 1 HB2 CYS 1 13.686 19.172 2.064 4 2HB CYS 1 HB1 CYS 1 12.713 20.627 1.879 5 HG CYS 1 HG CYS 1 15.450 20.467 3.193 6 H GLY 2 HN GLY 2 10.421 18.277 4.723 7 1HA GLY 2 HA2 GLY 2 8.648 18.410 2.467 8 2HA GLY 2 HA1 GLY 2 8.279 17.731 4.046 9 H GLY 3 HN GLY 3 6.290 18.674 4.328 10 1HA GLY 3 HA2 GLY 3 4.734 20.330 4.708 11 2HA GLY 3 HA1 GLY 3 6.061 21.121 5.548 12 H ASP 4 HN ASP 4 5.892 20.424 2.098 13 HA ASP 4 HA ASP 4 5.714 23.314 1.583 14 1HB ASP 4 HB2 ASP 4 7.534 21.257 0.337 15 2HB ASP 4 HB1 ASP 4 7.210 22.812 -0.429 16 H ASN 5 HN ASN 5 5.977 20.669 -0.709 17 HA ASN 5 HA ASN 5 3.160 20.876 -1.425 18 1HB ASN 5 HB2 ASN 5 5.203 22.191 -2.899 19 2HB ASN 5 HB1 ASN 5 4.679 20.812 -3.861 20 1HD2 ASN 5 HD21 ASN 5 2.841 22.842 -1.629 21 2HD2 ASN 5 HD22 ASN 5 1.707 23.409 -2.801 22 H ILE 6 HN ILE 6 6.303 19.397 -2.080 23 HA ILE 6 HA ILE 6 5.335 17.036 -3.289 24 HB ILE 6 HB ILE 6 7.847 17.089 -1.646 25 1HG1 ILE 6 HG12 ILE 6 7.361 18.448 -4.298 26 2HG1 ILE 6 HG11 ILE 6 8.058 19.136 -2.836 27 1HG2 ILE 6 HG21 ILE 6 7.178 15.782 -4.273 28 2HG2 ILE 6 HG22 ILE 6 7.114 15.002 -2.693 29 3HG2 ILE 6 HG23 ILE 6 8.656 15.568 -3.334 30 1HD1 ILE 6 HD11 ILE 6 9.367 17.009 -4.513 31 2HD1 ILE 6 HD12 ILE 6 10.067 17.855 -3.133 32 3HD1 ILE 6 HD13 ILE 6 9.709 18.736 -4.618 33 H GLU 7 HN GLU 7 6.347 17.790 0.008 34 HA GLU 7 HA GLU 7 5.913 15.334 1.211 35 1HB GLU 7 HB2 GLU 7 6.971 17.350 2.262 36 2HB GLU 7 HB1 GLU 7 5.359 18.018 2.484 37 1HG GLU 7 HG2 GLU 7 5.797 15.296 3.532 38 2HG GLU 7 HG1 GLU 7 6.654 16.599 4.352 39 H GLN 8 HN GLN 8 3.604 17.735 0.197 40 HA GLN 8 HA GLN 8 1.411 16.612 1.682 41 1HB GLN 8 HB2 GLN 8 1.698 19.047 0.828 42 2HB GLN 8 HB1 GLN 8 1.108 18.414 -0.703 43 1HG GLN 8 HG2 GLN 8 -0.811 19.210 0.293 44 2HG GLN 8 HG1 GLN 8 -0.855 17.494 0.694 45 1HE2 GLN 8 HE21 GLN 8 -1.454 17.120 2.692 46 2HE2 GLN 8 HE22 GLN 8 -1.130 18.117 4.064 47 H LYS 9 HN LYS 9 2.658 16.433 -1.600 48 HA LYS 9 HA LYS 9 0.536 15.041 -2.782 49 1HB LYS 9 HB2 LYS 9 2.942 16.033 -3.646 50 2HB LYS 9 HB1 LYS 9 3.209 14.298 -3.745 51 1HG LYS 9 HG2 LYS 9 1.837 14.058 -5.497 52 2HG LYS 9 HG1 LYS 9 0.649 15.190 -4.851 53 1HD LYS 9 HD2 LYS 9 3.246 15.938 -6.195 54 2HD LYS 9 HD1 LYS 9 1.644 16.012 -6.935 55 1HE LYS 9 HE2 LYS 9 1.222 17.456 -4.690 56 2HE LYS 9 HE1 LYS 9 2.923 17.814 -4.986 57 1HZ LYS 9 HZ1 LYS 9 2.457 18.897 -6.916 58 2HZ LYS 9 HZ2 LYS 9 1.024 19.225 -6.082 59 3HZ LYS 9 HZ3 LYS 9 1.063 17.993 -7.240 60 H ILE 10 HN ILE 10 3.364 13.908 -1.000 61 HA ILE 10 HA ILE 10 2.912 11.147 -1.476 62 HB ILE 10 HB ILE 10 4.360 10.804 0.554 63 1HG1 ILE 10 HG12 ILE 10 4.747 13.795 0.372 64 2HG1 ILE 10 HG11 ILE 10 3.803 12.991 1.624 65 1HG2 ILE 10 HG21 ILE 10 5.415 12.517 -1.686 66 2HG2 ILE 10 HG22 ILE 10 5.260 10.760 -1.690 67 3HG2 ILE 10 HG23 ILE 10 6.403 11.543 -0.597 68 1HD1 ILE 10 HD11 ILE 10 6.042 13.568 2.392 69 2HD1 ILE 10 HD12 ILE 10 6.737 12.574 1.111 70 3HD1 ILE 10 HD13 ILE 10 5.782 11.824 2.391 71 H ASP 11 HN ASP 11 2.005 13.328 1.177 72 HA ASP 11 HA ASP 11 0.959 11.529 2.979 73 1HB ASP 11 HB2 ASP 11 1.104 14.102 3.127 74 2HB ASP 11 HB1 ASP 11 -0.469 14.103 2.336 75 H ASP 12 HN ASP 12 -0.370 12.686 -0.030 76 HA ASP 12 HA ASP 12 -2.986 11.618 0.285 77 1HB ASP 12 HB2 ASP 12 -1.382 12.340 -2.178 78 2HB ASP 12 HB1 ASP 12 -3.058 11.803 -2.239 79 H ILE 13 HN ILE 13 -0.039 10.458 -1.288 80 HA ILE 13 HA ILE 13 -1.030 7.995 -2.194 81 HB ILE 13 HB ILE 13 1.793 8.574 -1.286 82 1HG1 ILE 13 HG12 ILE 13 0.462 9.047 -3.958 83 2HG1 ILE 13 HG11 ILE 13 1.111 10.271 -2.872 84 1HG2 ILE 13 HG21 ILE 13 2.384 6.586 -2.117 85 2HG2 ILE 13 HG22 ILE 13 1.405 6.807 -3.567 86 3HG2 ILE 13 HG23 ILE 13 0.665 6.194 -2.089 87 1HD1 ILE 13 HD11 ILE 13 3.107 10.100 -3.803 88 2HD1 ILE 13 HD12 ILE 13 2.412 8.996 -4.989 89 3HD1 ILE 13 HD13 ILE 13 3.144 8.359 -3.517 90 H ASP 14 HN ASP 14 0.583 8.899 0.842 91 HA ASP 14 HA ASP 14 0.812 6.450 2.063 92 1HB ASP 14 HB2 ASP 14 1.307 8.960 2.861 93 2HB ASP 14 HB1 ASP 14 -0.181 8.680 3.761 94 H HIS 15 HN HIS 15 -2.064 8.374 1.566 95 HA HIS 15 HA HIS 15 -3.720 6.837 3.332 96 1HB HIS 15 HB2 HIS 15 -4.035 9.278 2.398 97 2HB HIS 15 HB1 HIS 15 -4.822 8.448 1.060 98 HD1 HIS 15 HD1 HIS 15 -5.701 6.356 3.679 99 HD2 HIS 15 HD2 HIS 15 -6.842 10.221 2.670 100 HE1 HIS 15 HE1 HIS 15 -7.902 6.730 4.836 101 HE2 HIS 15 HE2 HIS 15 -8.527 9.108 4.286 102 H GLU 16 HN GLU 16 -2.747 6.680 -0.002 103 HA GLU 16 HA GLU 16 -4.776 4.746 -0.704 104 1HB GLU 16 HB2 GLU 16 -2.363 5.462 -2.353 105 2HB GLU 16 HB1 GLU 16 -3.915 4.846 -2.906 106 1HG GLU 16 HG2 GLU 16 -4.989 6.926 -2.395 107 2HG GLU 16 HG1 GLU 16 -3.521 7.545 -1.637 108 H ILE 17 HN ILE 17 -1.387 4.791 0.158 109 HA ILE 17 HA ILE 17 -0.733 2.155 -0.601 110 HB ILE 17 HB ILE 17 0.502 3.706 1.675 111 1HG1 ILE 17 HG12 ILE 17 1.623 3.729 -1.093 112 2HG1 ILE 17 HG11 ILE 17 0.287 4.811 -0.719 113 1HG2 ILE 17 HG21 ILE 17 1.616 1.768 1.862 114 2HG2 ILE 17 HG22 ILE 17 2.498 2.334 0.443 115 3HG2 ILE 17 HG23 ILE 17 1.141 1.223 0.253 116 1HD1 ILE 17 HD11 ILE 17 2.303 4.959 1.319 117 2HD1 ILE 17 HD12 ILE 17 1.652 6.230 0.284 118 3HD1 ILE 17 HD13 ILE 17 3.001 5.242 -0.276 119 H ALA 18 HN ALA 18 -2.224 3.535 2.247 120 HA ALA 18 HA ALA 18 -2.043 1.117 3.803 121 1HB ALA 18 HB1 ALA 18 -3.854 2.595 5.139 122 2HB ALA 18 HB2 ALA 18 -3.041 3.860 4.218 123 3HB ALA 18 HB3 ALA 18 -2.110 2.813 5.289 124 H ASP 19 HN ASP 19 -4.483 2.753 1.852 125 HA ASP 19 HA ASP 19 -6.750 1.339 2.579 126 1HB ASP 19 HB2 ASP 19 -6.570 3.303 0.966 127 2HB ASP 19 HB1 ASP 19 -6.126 2.127 -0.267 128 H LEU 20 HN LEU 20 -4.271 0.487 0.197 129 HA LEU 20 HA LEU 20 -5.521 -1.927 -0.630 130 1HB LEU 20 HB2 LEU 20 -2.574 -1.399 -0.802 131 2HB LEU 20 HB1 LEU 20 -3.577 -2.352 -1.879 132 HG LEU 20 HG LEU 20 -3.431 0.645 -1.669 133 1HD1 LEU 20 HD11 LEU 20 -2.852 -1.348 -3.846 134 2HD1 LEU 20 HD12 LEU 20 -1.720 -0.262 -3.042 135 3HD1 LEU 20 HD13 LEU 20 -2.957 0.392 -4.115 136 1HD2 LEU 20 HD21 LEU 20 -5.796 -0.157 -1.857 137 2HD2 LEU 20 HD22 LEU 20 -5.350 -0.918 -3.383 138 3HD2 LEU 20 HD23 LEU 20 -5.241 0.834 -3.206 139 H GLN 21 HN GLN 21 -2.809 -1.243 1.565 140 HA GLN 21 HA GLN 21 -2.185 -3.841 2.293 141 1HB GLN 21 HB2 GLN 21 -1.095 -1.539 2.927 142 2HB GLN 21 HB1 GLN 21 -2.124 -1.665 4.347 143 1HG GLN 21 HG2 GLN 21 -1.101 -3.810 4.902 144 2HG GLN 21 HG1 GLN 21 -0.074 -3.689 3.474 145 1HE2 GLN 21 HE21 GLN 21 1.907 -3.443 4.270 146 2HE2 GLN 21 HE22 GLN 21 2.388 -2.223 5.395 147 H ALA 22 HN ALA 22 -4.756 -1.751 3.446 148 HA ALA 22 HA ALA 22 -5.525 -3.363 5.656 149 1HB ALA 22 HB1 ALA 22 -6.307 -1.206 5.847 150 2HB ALA 22 HB2 ALA 22 -7.752 -2.047 5.285 151 3HB ALA 22 HB3 ALA 22 -6.778 -1.112 4.150 152 H LYS 23 HN LYS 23 -6.378 -3.310 2.256 153 HA LYS 23 HA LYS 23 -8.625 -5.033 2.444 154 1HB LYS 23 HB2 LYS 23 -6.871 -4.064 0.224 155 2HB LYS 23 HB1 LYS 23 -7.965 -5.408 -0.079 156 1HG LYS 23 HG2 LYS 23 -9.779 -4.094 -0.091 157 2HG LYS 23 HG1 LYS 23 -9.204 -3.115 1.259 158 1HD LYS 23 HD2 LYS 23 -8.973 -1.524 -0.322 159 2HD LYS 23 HD1 LYS 23 -7.463 -2.368 -0.671 160 1HE LYS 23 HE2 LYS 23 -8.230 -3.207 -2.624 161 2HE LYS 23 HE1 LYS 23 -9.865 -3.434 -2.005 162 1HZ LYS 23 HZ1 LYS 23 -8.700 -1.152 -3.370 163 2HZ LYS 23 HZ2 LYS 23 -9.728 -0.779 -2.079 164 3HZ LYS 23 HZ3 LYS 23 -10.296 -1.717 -3.368 165 H ARG 24 HN ARG 24 -5.178 -5.563 2.102 166 HA ARG 24 HA ARG 24 -5.337 -8.308 1.378 167 1HB ARG 24 HB2 ARG 24 -3.263 -6.370 1.967 168 2HB ARG 24 HB1 ARG 24 -2.892 -7.933 2.681 169 1HG ARG 24 HG2 ARG 24 -3.560 -8.801 0.285 170 2HG ARG 24 HG1 ARG 24 -3.123 -7.153 -0.170 171 1HD ARG 24 HD2 ARG 24 -0.971 -7.682 -0.094 172 2HD ARG 24 HD1 ARG 24 -1.133 -8.156 1.596 173 HE ARG 24 HE ARG 24 -1.936 -10.115 -0.397 174 1HH1 ARG 24 HH11 ARG 24 0.543 -8.992 1.795 175 2HH1 ARG 24 HH12 ARG 24 1.366 -10.515 1.835 176 1HH2 ARG 24 HH21 ARG 24 -0.850 -12.111 -0.343 177 2HH2 ARG 24 HH22 ARG 24 0.578 -12.283 0.621 178 H THR 25 HN THR 25 -4.812 -6.642 4.472 179 HA THR 25 HA THR 25 -4.467 -8.928 6.056 180 HB THR 25 HB THR 25 -5.853 -6.639 7.298 181 HG1 THR 25 HG1 THR 25 -4.717 -5.356 6.002 182 1HG2 THR 25 HG21 THR 25 -3.486 -6.810 8.540 183 2HG2 THR 25 HG22 THR 25 -3.636 -8.460 7.935 184 3HG2 THR 25 HG23 THR 25 -4.893 -7.783 8.971 185 H ARG 26 HN ARG 26 -7.393 -6.937 5.610 186 HA ARG 26 HA ARG 26 -9.167 -8.410 7.109 187 1HB ARG 26 HB2 ARG 26 -10.943 -7.507 5.687 188 2HB ARG 26 HB1 ARG 26 -9.747 -6.273 6.059 189 1HG ARG 26 HG2 ARG 26 -8.739 -6.581 3.857 190 2HG ARG 26 HG1 ARG 26 -9.936 -7.822 3.484 191 1HD ARG 26 HD2 ARG 26 -10.634 -5.759 2.479 192 2HD ARG 26 HD1 ARG 26 -11.719 -6.127 3.818 193 HE ARG 26 HE ARG 26 -9.824 -3.936 3.646 194 1HH1 ARG 26 HH11 ARG 26 -11.970 -5.800 5.679 195 2HH1 ARG 26 HH12 ARG 26 -12.083 -4.572 6.893 196 1HH2 ARG 26 HH21 ARG 26 -9.977 -2.326 5.245 197 2HH2 ARG 26 HH22 ARG 26 -10.954 -2.601 6.647 198 H LEU 27 HN LEU 27 -8.157 -8.941 3.770 199 HA LEU 27 HA LEU 27 -9.871 -11.118 3.240 200 1HB LEU 27 HB2 LEU 27 -7.359 -10.054 2.033 201 2HB LEU 27 HB1 LEU 27 -7.887 -11.663 1.576 202 HG LEU 27 HG LEU 27 -9.903 -9.488 1.418 203 1HD1 LEU 27 HD11 LEU 27 -9.014 -8.349 -0.308 204 2HD1 LEU 27 HD12 LEU 27 -8.199 -9.767 -0.966 205 3HD1 LEU 27 HD13 LEU 27 -7.487 -8.890 0.389 206 1HD2 LEU 27 HD21 LEU 27 -9.204 -11.807 -0.380 207 2HD2 LEU 27 HD22 LEU 27 -10.614 -10.758 -0.528 208 3HD2 LEU 27 HD23 LEU 27 -10.446 -11.818 0.872 209 H VAL 28 HN VAL 28 -6.629 -10.881 4.625 210 HA VAL 28 HA VAL 28 -6.045 -13.636 4.682 211 HB VAL 28 HB VAL 28 -5.128 -11.582 6.687 212 1HG1 VAL 28 HG11 VAL 28 -3.376 -13.789 5.812 213 2HG1 VAL 28 HG12 VAL 28 -4.761 -14.239 6.807 214 3HG1 VAL 28 HG13 VAL 28 -3.587 -13.068 7.408 215 1HG2 VAL 28 HG21 VAL 28 -4.043 -10.550 5.041 216 2HG2 VAL 28 HG22 VAL 28 -4.625 -11.731 3.869 217 3HG2 VAL 28 HG23 VAL 28 -3.130 -12.031 4.755 218 H GLN 29 HN GLN 29 -7.556 -11.493 7.062 219 HA GLN 29 HA GLN 29 -7.889 -13.269 9.159 220 1HB GLN 29 HB2 GLN 29 -9.712 -11.050 8.212 221 2HB GLN 29 HB1 GLN 29 -9.915 -11.895 9.741 222 1HG GLN 29 HG2 GLN 29 -7.975 -10.989 10.642 223 2HG GLN 29 HG1 GLN 29 -7.333 -10.548 9.060 224 1HE2 GLN 29 HE21 GLN 29 -6.982 -8.428 9.769 225 2HE2 GLN 29 HE22 GLN 29 -8.283 -7.304 9.946 226 H GLN 30 HN GLN 30 -9.599 -12.997 6.137 227 HA GLN 30 HA GLN 30 -11.782 -14.695 6.825 228 1HB GLN 30 HB2 GLN 30 -10.699 -14.128 4.063 229 2HB GLN 30 HB1 GLN 30 -12.320 -14.669 4.478 230 1HG GLN 30 HG2 GLN 30 -11.408 -12.123 5.674 231 2HG GLN 30 HG1 GLN 30 -11.726 -12.131 3.940 232 1HE2 GLN 30 HE21 GLN 30 -13.799 -12.289 3.210 233 2HE2 GLN 30 HE22 GLN 30 -15.182 -12.242 4.243 234 H HIS 31 HN HIS 31 -8.541 -15.187 5.590 235 HA HIS 31 HA HIS 31 -8.964 -18.076 5.861 236 1HB HIS 31 HB2 HIS 31 -7.751 -18.567 3.818 237 2HB HIS 31 HB1 HIS 31 -9.130 -17.537 3.455 238 HD1 HIS 31 HD1 HIS 31 -8.324 -14.818 3.514 239 HD2 HIS 31 HD2 HIS 31 -5.551 -17.735 2.501 240 HE1 HIS 31 HE1 HIS 31 -6.527 -13.623 2.234 241 HE2 HIS 31 HE2 HIS 31 -4.756 -15.369 1.846 242 HA PRO 32 HA PRO 32 -5.141 -16.541 8.050 243 1HB PRO 32 HB2 PRO 32 -5.638 -17.860 10.374 244 2HB PRO 32 HB1 PRO 32 -6.262 -16.242 10.031 245 1HG PRO 32 HG2 PRO 32 -7.639 -18.891 9.803 246 2HG PRO 32 HG1 PRO 32 -8.252 -17.364 10.464 247 1HD PRO 32 HD2 PRO 32 -8.880 -18.219 7.978 248 2HD PRO 32 HD1 PRO 32 -8.710 -16.497 8.375 249 H ARG 33 HN ARG 33 -6.618 -19.647 7.500 250 HA ARG 33 HA ARG 33 -4.591 -21.349 8.389 251 1HB ARG 33 HB2 ARG 33 -6.641 -21.621 6.198 252 2HB ARG 33 HB1 ARG 33 -5.513 -22.915 6.583 253 1HG ARG 33 HG2 ARG 33 -7.462 -23.440 7.758 254 2HG ARG 33 HG1 ARG 33 -6.380 -22.747 8.967 255 1HD ARG 33 HD2 ARG 33 -7.642 -20.871 9.223 256 2HD ARG 33 HD1 ARG 33 -8.194 -20.884 7.548 257 HE ARG 33 HE ARG 33 -10.046 -22.005 8.246 258 1HH1 ARG 33 HH11 ARG 33 -7.519 -22.526 10.595 259 2HH1 ARG 33 HH12 ARG 33 -8.537 -23.415 11.677 260 1HH2 ARG 33 HH21 ARG 33 -11.386 -23.176 9.668 261 2HH2 ARG 33 HH22 ARG 33 -10.731 -23.786 11.151 262 H CYS 1 HN CYS 1 -16.374 -19.134 -3.523 263 HA CYS 1 HA CYS 1 -13.889 -18.905 -2.626 264 1HB CYS 1 HB2 CYS 1 -16.494 -18.503 -1.250 265 2HB CYS 1 HB1 CYS 1 -15.042 -18.435 -0.258 266 HG CYS 1 HG CYS 1 -15.573 -16.488 -2.627 267 H GLY 2 HN GLY 2 -12.442 -19.869 -1.277 268 1HA GLY 2 HA2 GLY 2 -12.570 -21.452 0.824 269 2HA GLY 2 HA1 GLY 2 -13.116 -22.580 -0.408 270 H GLY 3 HN GLY 3 -10.905 -23.202 1.039 271 1HA GLY 3 HA2 GLY 3 -8.749 -23.938 0.762 272 2HA GLY 3 HA1 GLY 3 -8.976 -23.671 -0.959 273 H ASP 4 HN ASP 4 -7.895 -22.052 -1.908 274 HA ASP 4 HA ASP 4 -6.672 -20.007 -0.179 275 1HB ASP 4 HB2 ASP 4 -5.375 -21.411 -2.516 276 2HB ASP 4 HB1 ASP 4 -4.667 -20.075 -1.612 277 H ASN 5 HN ASN 5 -9.001 -20.281 -2.244 278 HA ASN 5 HA ASN 5 -8.526 -18.732 -4.482 279 1HB ASN 5 HB2 ASN 5 -10.877 -19.527 -2.926 280 2HB ASN 5 HB1 ASN 5 -11.079 -17.979 -3.741 281 1HD2 ASN 5 HD21 ASN 5 -9.965 -18.152 -6.071 282 2HD2 ASN 5 HD22 ASN 5 -10.573 -19.468 -7.010 283 H ILE 6 HN ILE 6 -8.894 -17.818 -1.161 284 HA ILE 6 HA ILE 6 -9.173 -14.999 -1.681 285 HB ILE 6 HB ILE 6 -8.448 -16.338 0.920 286 1HG1 ILE 6 HG12 ILE 6 -11.235 -15.503 0.574 287 2HG1 ILE 6 HG11 ILE 6 -10.764 -16.802 -0.516 288 1HG2 ILE 6 HG21 ILE 6 -8.100 -13.894 0.752 289 2HG2 ILE 6 HG22 ILE 6 -9.308 -14.348 1.956 290 3HG2 ILE 6 HG23 ILE 6 -9.816 -13.707 0.393 291 1HD1 ILE 6 HD11 ILE 6 -9.825 -17.924 1.610 292 2HD1 ILE 6 HD12 ILE 6 -11.566 -17.931 1.328 293 3HD1 ILE 6 HD13 ILE 6 -10.861 -16.783 2.466 294 H GLU 7 HN GLU 7 -6.648 -17.203 -0.577 295 HA GLU 7 HA GLU 7 -4.631 -15.367 -0.037 296 1HB GLU 7 HB2 GLU 7 -4.816 -18.053 0.115 297 2HB GLU 7 HB1 GLU 7 -3.816 -17.907 -1.322 298 1HG GLU 7 HG2 GLU 7 -2.519 -16.208 0.288 299 2HG GLU 7 HG1 GLU 7 -3.195 -17.300 1.495 300 H GLN 8 HN GLN 8 -5.843 -16.567 -3.065 301 HA GLN 8 HA GLN 8 -3.626 -15.641 -4.636 302 1HB GLN 8 HB2 GLN 8 -5.460 -17.481 -5.143 303 2HB GLN 8 HB1 GLN 8 -6.330 -16.109 -5.814 304 1HG GLN 8 HG2 GLN 8 -5.169 -17.119 -7.601 305 2HG GLN 8 HG1 GLN 8 -4.306 -15.631 -7.214 306 1HE2 GLN 8 HE21 GLN 8 -2.276 -15.745 -6.274 307 2HE2 GLN 8 HE22 GLN 8 -1.348 -17.200 -6.250 308 H LYS 9 HN LYS 9 -6.865 -14.486 -3.856 309 HA LYS 9 HA LYS 9 -6.874 -12.227 -5.524 310 1HB LYS 9 HB2 LYS 9 -8.858 -13.238 -4.335 311 2HB LYS 9 HB1 LYS 9 -8.280 -12.468 -2.864 312 1HG LYS 9 HG2 LYS 9 -8.326 -10.310 -4.361 313 2HG LYS 9 HG1 LYS 9 -9.489 -11.256 -5.292 314 1HD LYS 9 HD2 LYS 9 -9.772 -11.040 -2.323 315 2HD LYS 9 HD1 LYS 9 -10.321 -9.722 -3.359 316 1HE LYS 9 HE2 LYS 9 -12.141 -10.851 -3.980 317 2HE LYS 9 HE1 LYS 9 -11.207 -12.303 -4.335 318 1HZ LYS 9 HZ1 LYS 9 -12.497 -11.500 -1.812 319 2HZ LYS 9 HZ2 LYS 9 -11.173 -12.551 -1.780 320 3HZ LYS 9 HZ3 LYS 9 -12.571 -12.982 -2.628 321 H ILE 10 HN ILE 10 -5.702 -12.723 -2.234 322 HA ILE 10 HA ILE 10 -5.151 -9.980 -1.724 323 HB ILE 10 HB ILE 10 -3.643 -10.855 0.077 324 1HG1 ILE 10 HG12 ILE 10 -4.806 -13.539 -0.675 325 2HG1 ILE 10 HG11 ILE 10 -3.160 -13.037 -1.050 326 1HG2 ILE 10 HG21 ILE 10 -6.270 -12.178 0.439 327 2HG2 ILE 10 HG22 ILE 10 -6.258 -10.450 0.089 328 3HG2 ILE 10 HG23 ILE 10 -5.403 -11.070 1.502 329 1HD1 ILE 10 HD11 ILE 10 -4.360 -13.415 1.676 330 2HD1 ILE 10 HD12 ILE 10 -2.756 -12.748 1.374 331 3HD1 ILE 10 HD13 ILE 10 -3.125 -14.406 0.901 332 H ASP 11 HN ASP 11 -3.165 -12.689 -2.885 333 HA ASP 11 HA ASP 11 -0.674 -11.506 -2.885 334 1HB ASP 11 HB2 ASP 11 -1.642 -13.866 -3.805 335 2HB ASP 11 HB1 ASP 11 -1.335 -13.041 -5.331 336 H ASP 12 HN ASP 12 -3.364 -11.050 -5.056 337 HA ASP 12 HA ASP 12 -1.996 -9.541 -7.037 338 1HB ASP 12 HB2 ASP 12 -4.809 -10.139 -6.351 339 2HB ASP 12 HB1 ASP 12 -4.554 -8.610 -7.186 340 H ILE 13 HN ILE 13 -3.897 -8.684 -4.186 341 HA ILE 13 HA ILE 13 -3.683 -5.894 -4.421 342 HB ILE 13 HB ILE 13 -3.874 -7.478 -1.856 343 1HG1 ILE 13 HG12 ILE 13 -6.043 -6.533 -3.738 344 2HG1 ILE 13 HG11 ILE 13 -5.624 -8.202 -3.365 345 1HG2 ILE 13 HG21 ILE 13 -3.587 -4.746 -2.270 346 2HG2 ILE 13 HG22 ILE 13 -4.125 -5.540 -0.791 347 3HG2 ILE 13 HG23 ILE 13 -5.309 -4.969 -1.967 348 1HD1 ILE 13 HD11 ILE 13 -6.172 -7.346 -0.901 349 2HD1 ILE 13 HD12 ILE 13 -7.398 -7.994 -1.992 350 3HD1 ILE 13 HD13 ILE 13 -7.203 -6.249 -1.820 351 H ASP 14 HN ASP 14 -1.686 -8.273 -2.694 352 HA ASP 14 HA ASP 14 0.095 -6.645 -1.396 353 1HB ASP 14 HB2 ASP 14 -0.080 -9.306 -1.737 354 2HB ASP 14 HB1 ASP 14 1.279 -8.972 -2.806 355 H HIS 15 HN HIS 15 -0.071 -7.372 -4.813 356 HA HIS 15 HA HIS 15 2.474 -6.207 -5.441 357 1HB HIS 15 HB2 HIS 15 1.068 -7.961 -6.783 358 2HB HIS 15 HB1 HIS 15 0.269 -6.538 -7.447 359 HD1 HIS 15 HD1 HIS 15 3.260 -5.042 -7.237 360 HD2 HIS 15 HD2 HIS 15 2.083 -8.361 -9.442 361 HE1 HIS 15 HE1 HIS 15 4.909 -5.212 -9.129 362 HE2 HIS 15 HE2 HIS 15 4.231 -7.281 -10.395 363 H GLU 16 HN GLU 16 -0.815 -5.110 -5.154 364 HA GLU 16 HA GLU 16 -0.286 -2.583 -6.454 365 1HB GLU 16 HB2 GLU 16 -2.725 -3.243 -4.820 366 2HB GLU 16 HB1 GLU 16 -2.576 -2.092 -6.142 367 1HG GLU 16 HG2 GLU 16 -2.187 -5.031 -6.574 368 2HG GLU 16 HG1 GLU 16 -3.789 -4.298 -6.584 369 H ILE 17 HN ILE 17 -0.481 -3.858 -3.213 370 HA ILE 17 HA ILE 17 -0.650 -1.412 -1.810 371 HB ILE 17 HB ILE 17 0.648 -3.956 -0.825 372 1HG1 ILE 17 HG12 ILE 17 -2.212 -3.275 -0.300 373 2HG1 ILE 17 HG11 ILE 17 -1.791 -4.024 -1.833 374 1HG2 ILE 17 HG21 ILE 17 -0.147 -1.410 0.401 375 2HG2 ILE 17 HG22 ILE 17 1.059 -2.590 0.910 376 3HG2 ILE 17 HG23 ILE 17 -0.644 -2.852 1.287 377 1HD1 ILE 17 HD11 ILE 17 -1.706 -6.013 -0.878 378 2HD1 ILE 17 HD12 ILE 17 -2.277 -5.274 0.618 379 3HD1 ILE 17 HD13 ILE 17 -0.546 -5.440 0.319 380 H ALA 18 HN ALA 18 2.016 -3.292 -3.095 381 HA ALA 18 HA ALA 18 4.066 -1.748 -1.810 382 1HB ALA 18 HB1 ALA 18 4.997 -3.751 -2.231 383 2HB ALA 18 HB2 ALA 18 5.360 -3.046 -3.807 384 3HB ALA 18 HB3 ALA 18 3.937 -4.069 -3.606 385 H ASP 19 HN ASP 19 2.535 -1.806 -4.988 386 HA ASP 19 HA ASP 19 4.260 -0.171 -6.409 387 1HB ASP 19 HB2 ASP 19 1.957 -1.382 -7.025 388 2HB ASP 19 HB1 ASP 19 1.340 0.254 -6.803 389 H LEU 20 HN LEU 20 1.599 0.748 -4.259 390 HA LEU 20 HA LEU 20 1.845 3.540 -4.694 391 1HB LEU 20 HB2 LEU 20 0.760 2.306 -2.184 392 2HB LEU 20 HB1 LEU 20 0.305 3.822 -2.937 393 HG LEU 20 HG LEU 20 -0.441 1.032 -3.759 394 1HD1 LEU 20 HD11 LEU 20 -2.699 2.336 -3.859 395 2HD1 LEU 20 HD12 LEU 20 -1.852 3.486 -2.825 396 3HD1 LEU 20 HD13 LEU 20 -2.041 1.811 -2.310 397 1HD2 LEU 20 HD21 LEU 20 -0.886 3.511 -5.416 398 2HD2 LEU 20 HD22 LEU 20 -1.360 1.858 -5.811 399 3HD2 LEU 20 HD23 LEU 20 0.347 2.296 -5.758 400 H GLN 21 HN GLN 21 2.965 1.424 -2.062 401 HA GLN 21 HA GLN 21 4.153 3.257 -0.411 402 1HB GLN 21 HB2 GLN 21 4.053 0.561 -0.455 403 2HB GLN 21 HB1 GLN 21 5.737 0.803 -0.896 404 1HG GLN 21 HG2 GLN 21 6.310 1.539 1.152 405 2HG GLN 21 HG1 GLN 21 4.777 2.372 1.402 406 1HE2 GLN 21 HE21 GLN 21 4.565 1.560 3.483 407 2HE2 GLN 21 HE22 GLN 21 4.156 -0.090 3.792 408 H ALA 22 HN ALA 22 5.493 1.844 -3.355 409 HA ALA 22 HA ALA 22 8.068 2.966 -3.158 410 1HB ALA 22 HB1 ALA 22 6.929 1.190 -4.830 411 2HB ALA 22 HB2 ALA 22 8.456 2.005 -5.163 412 3HB ALA 22 HB3 ALA 22 6.958 2.617 -5.866 413 H LYS 23 HN LYS 23 5.074 4.133 -4.609 414 HA LYS 23 HA LYS 23 6.070 6.405 -5.890 415 1HB LYS 23 HB2 LYS 23 3.446 5.437 -4.997 416 2HB LYS 23 HB1 LYS 23 3.571 7.188 -5.080 417 1HG LYS 23 HG2 LYS 23 2.993 6.909 -7.219 418 2HG LYS 23 HG1 LYS 23 4.687 6.470 -7.447 419 1HD LYS 23 HD2 LYS 23 4.164 4.354 -7.934 420 2HD LYS 23 HD1 LYS 23 3.096 4.221 -6.536 421 1HE LYS 23 HE2 LYS 23 1.255 4.599 -7.761 422 2HE LYS 23 HE1 LYS 23 2.026 5.878 -8.697 423 1HZ LYS 23 HZ1 LYS 23 3.184 4.095 -9.958 424 2HZ LYS 23 HZ2 LYS 23 1.505 4.101 -10.163 425 3HZ LYS 23 HZ3 LYS 23 2.229 2.953 -9.153 426 H ARG 24 HN ARG 24 5.199 5.856 -2.535 427 HA ARG 24 HA ARG 24 5.333 8.603 -1.761 428 1HB ARG 24 HB2 ARG 24 4.812 6.041 -0.486 429 2HB ARG 24 HB1 ARG 24 5.793 7.088 0.529 430 1HG ARG 24 HG2 ARG 24 3.983 8.875 -0.092 431 2HG ARG 24 HG1 ARG 24 3.003 7.448 -0.430 432 1HD ARG 24 HD2 ARG 24 2.595 7.213 1.734 433 2HD ARG 24 HD1 ARG 24 4.319 7.023 2.040 434 HE ARG 24 HE ARG 24 3.335 9.747 1.802 435 1HH1 ARG 24 HH11 ARG 24 4.232 7.121 3.926 436 2HH1 ARG 24 HH12 ARG 24 4.466 8.151 5.298 437 1HH2 ARG 24 HH21 ARG 24 3.641 11.095 3.608 438 2HH2 ARG 24 HH22 ARG 24 4.130 10.403 5.118 439 H THR 25 HN THR 25 7.562 5.852 -1.499 440 HA THR 25 HA THR 25 9.602 7.177 -0.104 441 HB THR 25 HB THR 25 10.376 5.108 -2.076 442 HG1 THR 25 HG1 THR 25 9.094 3.606 -1.337 443 1HG2 THR 25 HG21 THR 25 10.865 5.535 0.852 444 2HG2 THR 25 HG22 THR 25 12.021 5.633 -0.477 445 3HG2 THR 25 HG23 THR 25 11.348 4.071 -0.006 446 H ARG 26 HN ARG 26 9.353 6.491 -3.597 447 HA ARG 26 HA ARG 26 11.640 7.771 -4.442 448 1HB ARG 26 HB2 ARG 26 10.325 8.201 -6.598 449 2HB ARG 26 HB1 ARG 26 10.485 6.534 -6.066 450 1HG ARG 26 HG2 ARG 26 8.291 6.306 -6.115 451 2HG ARG 26 HG1 ARG 26 8.127 7.574 -4.900 452 1HD ARG 26 HD2 ARG 26 6.842 8.342 -6.689 453 2HD ARG 26 HD1 ARG 26 8.367 9.209 -6.863 454 HE ARG 26 HE ARG 26 8.244 6.754 -8.358 455 1HH1 ARG 26 HH11 ARG 26 7.520 10.168 -8.390 456 2HH1 ARG 26 HH12 ARG 26 7.542 10.284 -10.117 457 1HH2 ARG 26 HH21 ARG 26 8.272 6.905 -10.630 458 2HH2 ARG 26 HH22 ARG 26 7.968 8.431 -11.389 459 H LEU 27 HN LEU 27 8.448 9.164 -3.828 460 HA LEU 27 HA LEU 27 9.059 11.785 -4.668 461 1HB LEU 27 HB2 LEU 27 6.924 10.468 -3.146 462 2HB LEU 27 HB1 LEU 27 7.211 12.129 -2.664 463 HG LEU 27 HG LEU 27 7.109 12.486 -5.318 464 1HD1 LEU 27 HD11 LEU 27 6.716 10.046 -5.668 465 2HD1 LEU 27 HD12 LEU 27 5.473 11.093 -6.353 466 3HD1 LEU 27 HD13 LEU 27 5.169 10.233 -4.843 467 1HD2 LEU 27 HD21 LEU 27 4.561 12.213 -3.754 468 2HD2 LEU 27 HD22 LEU 27 4.975 13.393 -4.998 469 3HD2 LEU 27 HD23 LEU 27 5.733 13.485 -3.409 470 H VAL 28 HN VAL 28 9.472 10.076 -1.613 471 HA VAL 28 HA VAL 28 10.212 12.307 -0.045 472 HB VAL 28 HB VAL 28 11.170 9.469 0.309 473 1HG1 VAL 28 HG11 VAL 28 12.382 10.523 1.893 474 2HG1 VAL 28 HG12 VAL 28 10.868 10.460 2.795 475 3HG1 VAL 28 HG13 VAL 28 11.317 11.927 1.925 476 1HG2 VAL 28 HG21 VAL 28 9.005 10.123 2.044 477 2HG2 VAL 28 HG22 VAL 28 9.099 8.851 0.827 478 3HG2 VAL 28 HG23 VAL 28 8.517 10.455 0.383 479 H GLN 29 HN GLN 29 12.089 9.993 -1.953 480 HA GLN 29 HA GLN 29 14.657 10.806 -1.332 481 1HB GLN 29 HB2 GLN 29 13.365 9.454 -3.606 482 2HB GLN 29 HB1 GLN 29 14.869 10.270 -4.008 483 1HG GLN 29 HG2 GLN 29 15.510 8.103 -3.465 484 2HG GLN 29 HG1 GLN 29 15.872 9.039 -2.016 485 1HE2 GLN 29 HE21 GLN 29 14.049 9.085 -0.391 486 2HE2 GLN 29 HE22 GLN 29 13.231 7.591 -0.103 487 H GLN 30 HN GLN 30 12.235 12.332 -3.302 488 HA GLN 30 HA GLN 30 13.994 14.237 -4.524 489 1HB GLN 30 HB2 GLN 30 11.492 13.381 -5.102 490 2HB GLN 30 HB1 GLN 30 11.117 14.883 -4.270 491 1HG GLN 30 HG2 GLN 30 13.073 15.705 -5.948 492 2HG GLN 30 HG1 GLN 30 12.322 14.429 -6.904 493 1HE2 GLN 30 HE21 GLN 30 12.368 17.425 -7.104 494 2HE2 GLN 30 HE22 GLN 30 10.706 17.874 -7.249 495 H HIS 31 HN HIS 31 12.064 14.078 -1.604 496 HA HIS 31 HA HIS 31 13.278 16.601 -0.742 497 1HB HIS 31 HB2 HIS 31 11.190 17.432 0.180 498 2HB HIS 31 HB1 HIS 31 11.009 17.147 -1.547 499 HD1 HIS 31 HD1 HIS 31 9.837 14.730 -2.114 500 HD2 HIS 31 HD2 HIS 31 9.228 16.305 1.678 501 HE1 HIS 31 HE1 HIS 31 7.801 13.565 -1.219 502 HE2 HIS 31 HE2 HIS 31 7.585 14.385 1.150 503 HA PRO 32 HA PRO 32 13.284 13.273 2.530 504 1HB PRO 32 HB2 PRO 32 15.863 12.574 2.512 505 2HB PRO 32 HB1 PRO 32 14.724 11.903 1.339 506 1HG PRO 32 HG2 PRO 32 16.739 14.082 0.992 507 2HG PRO 32 HG1 PRO 32 16.290 12.783 -0.126 508 1HD PRO 32 HD2 PRO 32 15.355 15.387 -0.263 509 2HD PRO 32 HD1 PRO 32 14.556 13.983 -0.992 510 H ARG 33 HN ARG 33 15.861 15.633 1.894 511 HA ARG 33 HA ARG 33 15.684 16.471 4.710 512 1HB ARG 33 HB2 ARG 33 18.211 16.223 3.067 513 2HB ARG 33 HB1 ARG 33 18.117 16.882 4.694 514 1HG ARG 33 HG2 ARG 33 18.644 14.813 5.341 515 2HG ARG 33 HG1 ARG 33 16.946 14.450 5.029 516 1HD ARG 33 HD2 ARG 33 18.460 12.821 3.978 517 2HD ARG 33 HD1 ARG 33 17.485 13.691 2.795 518 HE ARG 33 HE ARG 33 19.400 14.614 1.937 519 1HH1 ARG 33 HH11 ARG 33 20.120 13.167 5.030 520 2HH1 ARG 33 HH12 ARG 33 21.833 13.357 4.860 521 1HH2 ARG 33 HH21 ARG 33 21.652 14.866 1.712 522 2HH2 ARG 33 HH22 ARG 33 22.702 14.322 2.978 Start of MODEL 26 1 H CYS 1 HT1 CYS 1 11.007 28.525 -2.682 2 HA CYS 1 HA CYS 1 8.929 27.581 -3.654 3 1HB CYS 1 HB2 CYS 1 11.373 28.148 -4.661 4 2HB CYS 1 HB1 CYS 1 11.261 26.445 -5.093 5 HG CYS 1 HG CYS 1 8.912 28.224 -5.984 6 H GLY 2 HN GLY 2 9.471 25.760 -1.444 7 1HA GLY 2 HA2 GLY 2 8.354 23.396 -2.558 8 2HA GLY 2 HA1 GLY 2 10.056 23.153 -2.191 9 H GLY 3 HN GLY 3 10.757 23.249 -0.013 10 1HA GLY 3 HA2 GLY 3 10.556 23.035 2.272 11 2HA GLY 3 HA1 GLY 3 8.937 23.708 2.138 12 H ASP 4 HN ASP 4 7.173 22.344 1.984 13 HA ASP 4 HA ASP 4 7.748 19.473 2.324 14 1HB ASP 4 HB2 ASP 4 5.562 21.087 3.637 15 2HB ASP 4 HB1 ASP 4 5.782 19.347 3.799 16 H ASN 5 HN ASN 5 6.823 21.351 0.030 17 HA ASN 5 HA ASN 5 4.224 20.790 -0.736 18 1HB ASN 5 HB2 ASN 5 6.293 22.149 -1.869 19 2HB ASN 5 HB1 ASN 5 6.211 20.742 -2.924 20 1HD2 ASN 5 HD21 ASN 5 3.461 20.274 -2.809 21 2HD2 ASN 5 HD22 ASN 5 2.651 21.567 -3.620 22 H ILE 6 HN ILE 6 7.045 18.796 -0.750 23 HA ILE 6 HA ILE 6 5.880 16.728 -2.404 24 HB ILE 6 HB ILE 6 8.373 16.556 -0.720 25 1HG1 ILE 6 HG12 ILE 6 9.195 16.976 -3.326 26 2HG1 ILE 6 HG11 ILE 6 7.842 18.090 -3.155 27 1HG2 ILE 6 HG21 ILE 6 7.604 15.090 -3.235 28 2HG2 ILE 6 HG22 ILE 6 7.417 14.452 -1.602 29 3HG2 ILE 6 HG23 ILE 6 9.026 14.809 -2.231 30 1HD1 ILE 6 HD11 ILE 6 10.516 18.319 -2.177 31 2HD1 ILE 6 HD12 ILE 6 9.378 18.371 -0.831 32 3HD1 ILE 6 HD13 ILE 6 9.216 19.510 -2.169 33 H GLU 7 HN GLU 7 6.723 17.239 0.987 34 HA GLU 7 HA GLU 7 6.020 14.748 2.006 35 1HB GLU 7 HB2 GLU 7 7.164 16.783 3.147 36 2HB GLU 7 HB1 GLU 7 5.524 17.276 3.545 37 1HG GLU 7 HG2 GLU 7 5.783 16.048 5.380 38 2HG GLU 7 HG1 GLU 7 5.544 14.657 4.323 39 H GLN 8 HN GLN 8 4.032 17.338 0.887 40 HA GLN 8 HA GLN 8 1.655 16.494 2.267 41 1HB GLN 8 HB2 GLN 8 2.242 18.856 1.366 42 2HB GLN 8 HB1 GLN 8 1.682 18.236 -0.182 43 1HG GLN 8 HG2 GLN 8 -0.100 19.421 0.903 44 2HG GLN 8 HG1 GLN 8 -0.489 17.702 0.840 45 1HE2 GLN 8 HE21 GLN 8 -1.952 17.918 2.543 46 2HE2 GLN 8 HE22 GLN 8 -1.428 18.112 4.179 47 H LYS 9 HN LYS 9 2.947 16.228 -1.008 48 HA LYS 9 HA LYS 9 0.774 14.914 -2.183 49 1HB LYS 9 HB2 LYS 9 3.198 15.831 -3.062 50 2HB LYS 9 HB1 LYS 9 3.423 14.089 -3.156 51 1HG LYS 9 HG2 LYS 9 1.067 14.209 -4.346 52 2HG LYS 9 HG1 LYS 9 1.600 15.856 -4.689 53 1HD LYS 9 HD2 LYS 9 3.485 13.605 -5.196 54 2HD LYS 9 HD1 LYS 9 2.159 13.871 -6.330 55 1HE LYS 9 HE2 LYS 9 4.315 15.823 -5.542 56 2HE LYS 9 HE1 LYS 9 4.085 15.064 -7.116 57 1HZ LYS 9 HZ1 LYS 9 3.043 16.993 -7.553 58 2HZ LYS 9 HZ2 LYS 9 2.703 17.326 -5.930 59 3HZ LYS 9 HZ3 LYS 9 1.728 16.248 -6.793 60 H ILE 10 HN ILE 10 3.565 13.666 -0.414 61 HA ILE 10 HA ILE 10 3.000 10.929 -0.914 62 HB ILE 10 HB ILE 10 4.435 10.516 1.120 63 1HG1 ILE 10 HG12 ILE 10 5.048 13.463 0.899 64 2HG1 ILE 10 HG11 ILE 10 3.975 12.788 2.121 65 1HG2 ILE 10 HG21 ILE 10 5.107 10.799 -1.396 66 2HG2 ILE 10 HG22 ILE 10 6.342 10.650 -0.145 67 3HG2 ILE 10 HG23 ILE 10 5.930 12.238 -0.792 68 1HD1 ILE 10 HD11 ILE 10 6.909 12.259 1.772 69 2HD1 ILE 10 HD12 ILE 10 5.871 11.352 2.873 70 3HD1 ILE 10 HD13 ILE 10 6.108 13.084 3.109 71 H ASP 11 HN ASP 11 2.184 13.126 1.756 72 HA ASP 11 HA ASP 11 1.099 11.361 3.564 73 1HB ASP 11 HB2 ASP 11 0.599 14.199 2.869 74 2HB ASP 11 HB1 ASP 11 -0.670 13.397 3.791 75 H ASP 12 HN ASP 12 -0.233 12.573 0.574 76 HA ASP 12 HA ASP 12 -2.854 11.513 0.893 77 1HB ASP 12 HB2 ASP 12 -1.238 12.480 -1.447 78 2HB ASP 12 HB1 ASP 12 -2.764 11.645 -1.725 79 H ILE 13 HN ILE 13 0.112 10.357 -0.625 80 HA ILE 13 HA ILE 13 -0.892 7.930 -1.630 81 HB ILE 13 HB ILE 13 1.926 8.348 -0.637 82 1HG1 ILE 13 HG12 ILE 13 0.669 9.223 -3.246 83 2HG1 ILE 13 HG11 ILE 13 1.417 10.253 -2.029 84 1HG2 ILE 13 HG21 ILE 13 1.473 6.873 -3.113 85 2HG2 ILE 13 HG22 ILE 13 0.711 6.136 -1.705 86 3HG2 ILE 13 HG23 ILE 13 2.445 6.453 -1.704 87 1HD1 ILE 13 HD11 ILE 13 3.330 10.095 -3.116 88 2HD1 ILE 13 HD12 ILE 13 2.606 8.979 -4.275 89 3HD1 ILE 13 HD13 ILE 13 3.352 8.359 -2.802 90 H ASP 14 HN ASP 14 0.758 8.697 1.430 91 HA ASP 14 HA ASP 14 0.912 6.217 2.579 92 1HB ASP 14 HB2 ASP 14 1.563 8.602 3.473 93 2HB ASP 14 HB1 ASP 14 -0.007 8.514 4.266 94 H HIS 15 HN HIS 15 -1.926 8.213 2.138 95 HA HIS 15 HA HIS 15 -3.596 6.647 3.870 96 1HB HIS 15 HB2 HIS 15 -3.924 9.107 3.185 97 2HB HIS 15 HB1 HIS 15 -4.578 8.467 1.681 98 HD1 HIS 15 HD1 HIS 15 -5.366 6.518 4.715 99 HD2 HIS 15 HD2 HIS 15 -7.086 9.583 2.498 100 HE1 HIS 15 HE1 HIS 15 -7.754 6.647 5.488 101 HE2 HIS 15 HE2 HIS 15 -8.750 8.568 4.198 102 H GLU 16 HN GLU 16 -2.675 6.609 0.520 103 HA GLU 16 HA GLU 16 -4.761 4.751 -0.229 104 1HB GLU 16 HB2 GLU 16 -2.362 5.491 -1.890 105 2HB GLU 16 HB1 GLU 16 -3.935 4.926 -2.442 106 1HG GLU 16 HG2 GLU 16 -3.696 7.506 -0.954 107 2HG GLU 16 HG1 GLU 16 -3.313 7.426 -2.673 108 H ILE 17 HN ILE 17 -1.341 4.695 0.521 109 HA ILE 17 HA ILE 17 -0.760 2.082 -0.342 110 HB ILE 17 HB ILE 17 0.558 3.502 1.973 111 1HG1 ILE 17 HG12 ILE 17 1.612 3.670 -0.817 112 2HG1 ILE 17 HG11 ILE 17 0.300 4.743 -0.353 113 1HG2 ILE 17 HG21 ILE 17 1.116 1.090 0.411 114 2HG2 ILE 17 HG22 ILE 17 1.667 1.555 2.021 115 3HG2 ILE 17 HG23 ILE 17 2.497 2.173 0.591 116 1HD1 ILE 17 HD11 ILE 17 3.107 4.907 0.239 117 2HD1 ILE 17 HD12 ILE 17 2.144 4.940 1.715 118 3HD1 ILE 17 HD13 ILE 17 1.842 6.118 0.438 119 H ALA 18 HN ALA 18 -2.115 3.386 2.612 120 HA ALA 18 HA ALA 18 -1.974 0.905 4.063 121 1HB ALA 18 HB1 ALA 18 -2.508 2.133 5.862 122 2HB ALA 18 HB2 ALA 18 -3.847 2.935 5.041 123 3HB ALA 18 HB3 ALA 18 -2.197 3.515 4.812 124 H ASP 19 HN ASP 19 -4.407 2.674 2.230 125 HA ASP 19 HA ASP 19 -6.698 1.302 2.963 126 1HB ASP 19 HB2 ASP 19 -5.831 2.812 0.561 127 2HB ASP 19 HB1 ASP 19 -7.226 1.756 0.363 128 H LEU 20 HN LEU 20 -4.276 0.445 0.529 129 HA LEU 20 HA LEU 20 -5.642 -1.881 -0.379 130 1HB LEU 20 HB2 LEU 20 -2.681 -1.457 -0.590 131 2HB LEU 20 HB1 LEU 20 -3.739 -2.329 -1.682 132 HG LEU 20 HG LEU 20 -3.472 0.649 -1.361 133 1HD1 LEU 20 HD11 LEU 20 -3.069 0.473 -3.826 134 2HD1 LEU 20 HD12 LEU 20 -3.026 -1.278 -3.626 135 3HD1 LEU 20 HD13 LEU 20 -1.833 -0.267 -2.811 136 1HD2 LEU 20 HD21 LEU 20 -5.872 -0.054 -1.520 137 2HD2 LEU 20 HD22 LEU 20 -5.491 -0.767 -3.088 138 3HD2 LEU 20 HD23 LEU 20 -5.309 0.971 -2.841 139 H GLN 21 HN GLN 21 -2.849 -1.399 1.775 140 HA GLN 21 HA GLN 21 -2.322 -4.044 2.389 141 1HB GLN 21 HB2 GLN 21 -1.146 -1.800 3.106 142 2HB GLN 21 HB1 GLN 21 -2.146 -1.974 4.541 143 1HG GLN 21 HG2 GLN 21 -1.155 -4.399 4.557 144 2HG GLN 21 HG1 GLN 21 0.115 -3.654 3.586 145 1HE2 GLN 21 HE21 GLN 21 -0.347 -4.655 6.517 146 2HE2 GLN 21 HE22 GLN 21 0.447 -3.437 7.450 147 H ALA 22 HN ALA 22 -4.694 -1.859 3.814 148 HA ALA 22 HA ALA 22 -5.531 -3.582 5.895 149 1HB ALA 22 HB1 ALA 22 -6.542 -1.097 4.649 150 2HB ALA 22 HB2 ALA 22 -6.263 -1.485 6.347 151 3HB ALA 22 HB3 ALA 22 -7.712 -2.077 5.533 152 H LYS 23 HN LYS 23 -6.411 -3.274 2.526 153 HA LYS 23 HA LYS 23 -8.771 -4.868 2.669 154 1HB LYS 23 HB2 LYS 23 -7.044 -3.821 0.462 155 2HB LYS 23 HB1 LYS 23 -8.224 -5.074 0.104 156 1HG LYS 23 HG2 LYS 23 -9.992 -3.688 0.392 157 2HG LYS 23 HG1 LYS 23 -9.180 -2.728 1.632 158 1HD LYS 23 HD2 LYS 23 -9.213 -1.231 -0.109 159 2HD LYS 23 HD1 LYS 23 -7.652 -2.008 -0.379 160 1HE LYS 23 HE2 LYS 23 -8.765 -1.889 -2.483 161 2HE LYS 23 HE1 LYS 23 -8.803 -3.572 -1.959 162 1HZ LYS 23 HZ1 LYS 23 -11.095 -2.690 -0.944 163 2HZ LYS 23 HZ2 LYS 23 -10.966 -3.370 -2.488 164 3HZ LYS 23 HZ3 LYS 23 -10.984 -1.688 -2.305 165 H ARG 24 HN ARG 24 -5.367 -5.524 2.158 166 HA ARG 24 HA ARG 24 -5.737 -8.230 1.296 167 1HB ARG 24 HB2 ARG 24 -3.683 -6.591 1.027 168 2HB ARG 24 HB1 ARG 24 -3.186 -7.321 2.548 169 1HG ARG 24 HG2 ARG 24 -3.620 -9.561 1.352 170 2HG ARG 24 HG1 ARG 24 -3.544 -8.602 -0.126 171 1HD ARG 24 HD2 ARG 24 -1.315 -7.859 0.425 172 2HD ARG 24 HD1 ARG 24 -1.393 -8.686 1.983 173 HE ARG 24 HE ARG 24 -1.781 -10.381 -0.324 174 1HH1 ARG 24 HH11 ARG 24 0.528 -9.045 1.928 175 2HH1 ARG 24 HH12 ARG 24 1.689 -10.302 1.671 176 1HH2 ARG 24 HH21 ARG 24 -0.264 -12.028 -0.660 177 2HH2 ARG 24 HH22 ARG 24 1.241 -11.999 0.198 178 H THR 25 HN THR 25 -4.918 -6.683 4.380 179 HA THR 25 HA THR 25 -4.450 -9.013 5.863 180 HB THR 25 HB THR 25 -5.780 -6.762 7.245 181 HG1 THR 25 HG1 THR 25 -3.901 -5.462 6.986 182 1HG2 THR 25 HG21 THR 25 -4.765 -8.025 8.816 183 2HG2 THR 25 HG22 THR 25 -3.417 -6.957 8.427 184 3HG2 THR 25 HG23 THR 25 -3.495 -8.570 7.720 185 H ARG 26 HN ARG 26 -7.425 -7.063 5.614 186 HA ARG 26 HA ARG 26 -9.094 -8.590 7.185 187 1HB ARG 26 HB2 ARG 26 -10.957 -7.703 5.827 188 2HB ARG 26 HB1 ARG 26 -9.793 -6.456 6.254 189 1HG ARG 26 HG2 ARG 26 -8.817 -6.578 4.032 190 2HG ARG 26 HG1 ARG 26 -9.943 -7.866 3.597 191 1HD ARG 26 HD2 ARG 26 -10.619 -5.622 2.771 192 2HD ARG 26 HD1 ARG 26 -11.815 -6.384 3.819 193 HE ARG 26 HE ARG 26 -10.096 -4.713 5.324 194 1HH1 ARG 26 HH11 ARG 26 -12.762 -4.590 3.076 195 2HH1 ARG 26 HH12 ARG 26 -13.353 -3.074 3.667 196 1HH2 ARG 26 HH21 ARG 26 -10.872 -2.719 6.103 197 2HH2 ARG 26 HH22 ARG 26 -12.281 -2.011 5.385 198 H LEU 27 HN LEU 27 -8.272 -9.025 3.776 199 HA LEU 27 HA LEU 27 -9.968 -11.214 3.276 200 1HB LEU 27 HB2 LEU 27 -7.525 -10.085 1.997 201 2HB LEU 27 HB1 LEU 27 -8.006 -11.710 1.547 202 HG LEU 27 HG LEU 27 -9.653 -9.199 1.240 203 1HD1 LEU 27 HD11 LEU 27 -8.371 -11.052 -0.763 204 2HD1 LEU 27 HD12 LEU 27 -7.913 -9.383 -0.422 205 3HD1 LEU 27 HD13 LEU 27 -9.475 -9.736 -1.163 206 1HD2 LEU 27 HD21 LEU 27 -11.374 -10.626 1.518 207 2HD2 LEU 27 HD22 LEU 27 -10.383 -12.052 1.210 208 3HD2 LEU 27 HD23 LEU 27 -10.989 -11.092 -0.139 209 H VAL 28 HN VAL 28 -6.692 -10.963 4.557 210 HA VAL 28 HA VAL 28 -6.094 -13.725 4.558 211 HB VAL 28 HB VAL 28 -5.064 -11.679 6.516 212 1HG1 VAL 28 HG11 VAL 28 -4.129 -14.383 5.627 213 2HG1 VAL 28 HG12 VAL 28 -4.375 -13.774 7.265 214 3HG1 VAL 28 HG13 VAL 28 -3.006 -13.206 6.309 215 1HG2 VAL 28 HG21 VAL 28 -4.813 -11.645 3.714 216 2HG2 VAL 28 HG22 VAL 28 -3.261 -12.189 4.349 217 3HG2 VAL 28 HG23 VAL 28 -3.946 -10.657 4.889 218 H GLN 29 HN GLN 29 -7.491 -11.576 6.997 219 HA GLN 29 HA GLN 29 -7.702 -13.343 9.121 220 1HB GLN 29 HB2 GLN 29 -9.159 -10.907 8.260 221 2HB GLN 29 HB1 GLN 29 -9.970 -11.922 9.445 222 1HG GLN 29 HG2 GLN 29 -8.312 -11.600 11.042 223 2HG GLN 29 HG1 GLN 29 -7.135 -11.058 9.846 224 1HE2 GLN 29 HE21 GLN 29 -7.446 -8.968 8.886 225 2HE2 GLN 29 HE22 GLN 29 -8.268 -7.729 9.765 226 H GLN 30 HN GLN 30 -9.487 -13.171 6.156 227 HA GLN 30 HA GLN 30 -11.647 -14.859 7.010 228 1HB GLN 30 HB2 GLN 30 -11.686 -13.132 5.113 229 2HB GLN 30 HB1 GLN 30 -10.835 -14.337 4.156 230 1HG GLN 30 HG2 GLN 30 -13.053 -14.652 3.579 231 2HG GLN 30 HG1 GLN 30 -12.761 -15.907 4.782 232 1HE2 GLN 30 HE21 GLN 30 -13.983 -12.609 4.427 233 2HE2 GLN 30 HE22 GLN 30 -15.172 -12.725 5.675 234 H HIS 31 HN HIS 31 -8.501 -15.290 5.532 235 HA HIS 31 HA HIS 31 -8.878 -18.190 5.763 236 1HB HIS 31 HB2 HIS 31 -7.856 -18.635 3.627 237 2HB HIS 31 HB1 HIS 31 -9.213 -17.542 3.381 238 HD1 HIS 31 HD1 HIS 31 -8.337 -14.869 3.407 239 HD2 HIS 31 HD2 HIS 31 -5.671 -17.836 2.263 240 HE1 HIS 31 HE1 HIS 31 -6.564 -13.702 2.068 241 HE2 HIS 31 HE2 HIS 31 -4.850 -15.483 1.594 242 HA PRO 32 HA PRO 32 -4.814 -16.619 7.492 243 1HB PRO 32 HB2 PRO 32 -5.243 -17.140 10.095 244 2HB PRO 32 HB1 PRO 32 -5.793 -15.639 9.341 245 1HG PRO 32 HG2 PRO 32 -7.345 -18.117 9.981 246 2HG PRO 32 HG1 PRO 32 -7.808 -16.420 10.198 247 1HD PRO 32 HD2 PRO 32 -8.635 -17.958 8.093 248 2HD PRO 32 HD1 PRO 32 -8.467 -16.194 8.014 249 H ARG 33 HN ARG 33 -6.760 -19.480 8.083 250 HA ARG 33 HA ARG 33 -4.318 -21.053 8.538 251 1HB ARG 33 HB2 ARG 33 -7.210 -21.714 9.120 252 2HB ARG 33 HB1 ARG 33 -5.861 -22.809 9.390 253 1HG ARG 33 HG2 ARG 33 -5.393 -21.879 11.347 254 2HG ARG 33 HG1 ARG 33 -5.393 -20.257 10.652 255 1HD ARG 33 HD2 ARG 33 -7.415 -19.813 11.480 256 2HD ARG 33 HD1 ARG 33 -8.074 -21.327 10.862 257 HE ARG 33 HE ARG 33 -7.935 -22.158 12.972 258 1HH1 ARG 33 HH11 ARG 33 -5.631 -19.552 12.685 259 2HH1 ARG 33 HH12 ARG 33 -5.148 -19.629 14.346 260 1HH2 ARG 33 HH21 ARG 33 -7.302 -22.260 15.157 261 2HH2 ARG 33 HH22 ARG 33 -6.095 -21.166 15.750 262 H CYS 1 HN CYS 1 -16.502 -24.809 -2.403 263 HA CYS 1 HA CYS 1 -14.257 -25.695 -4.084 264 1HB CYS 1 HB2 CYS 1 -16.897 -24.409 -4.714 265 2HB CYS 1 HB1 CYS 1 -15.559 -24.304 -5.852 266 HG CYS 1 HG CYS 1 -16.821 -27.020 -5.003 267 H GLY 2 HN GLY 2 -13.816 -23.990 -1.845 268 1HA GLY 2 HA2 GLY 2 -12.537 -21.784 -3.231 269 2HA GLY 2 HA1 GLY 2 -13.769 -21.318 -2.069 270 H GLY 3 HN GLY 3 -10.704 -23.041 -2.438 271 1HA GLY 3 HA2 GLY 3 -10.279 -23.036 0.443 272 2HA GLY 3 HA1 GLY 3 -9.221 -23.748 -0.766 273 H ASP 4 HN ASP 4 -7.791 -22.366 -1.945 274 HA ASP 4 HA ASP 4 -6.935 -20.079 -0.350 275 1HB ASP 4 HB2 ASP 4 -5.610 -21.489 -2.668 276 2HB ASP 4 HB1 ASP 4 -4.898 -20.167 -1.749 277 H ASN 5 HN ASN 5 -9.212 -20.259 -2.482 278 HA ASN 5 HA ASN 5 -8.634 -18.676 -4.674 279 1HB ASN 5 HB2 ASN 5 -11.069 -19.391 -3.171 280 2HB ASN 5 HB1 ASN 5 -11.182 -17.885 -4.080 281 1HD2 ASN 5 HD21 ASN 5 -9.748 -18.359 -6.296 282 2HD2 ASN 5 HD22 ASN 5 -10.439 -19.654 -7.207 283 H ILE 6 HN ILE 6 -9.088 -17.829 -1.347 284 HA ILE 6 HA ILE 6 -9.357 -15.007 -1.767 285 HB ILE 6 HB ILE 6 -8.508 -16.404 0.766 286 1HG1 ILE 6 HG12 ILE 6 -11.330 -15.764 -0.123 287 2HG1 ILE 6 HG11 ILE 6 -10.613 -17.371 -0.179 288 1HG2 ILE 6 HG21 ILE 6 -9.960 -13.799 0.346 289 2HG2 ILE 6 HG22 ILE 6 -8.234 -13.955 0.668 290 3HG2 ILE 6 HG23 ILE 6 -9.408 -14.468 1.881 291 1HD1 ILE 6 HD11 ILE 6 -12.120 -16.599 1.829 292 2HD1 ILE 6 HD12 ILE 6 -10.598 -15.921 2.408 293 3HD1 ILE 6 HD13 ILE 6 -10.724 -17.648 2.076 294 H GLU 7 HN GLU 7 -6.774 -17.206 -0.787 295 HA GLU 7 HA GLU 7 -4.754 -15.367 -0.286 296 1HB GLU 7 HB2 GLU 7 -4.964 -18.136 -0.398 297 2HB GLU 7 HB1 GLU 7 -3.774 -17.755 -1.636 298 1HG GLU 7 HG2 GLU 7 -2.636 -16.335 0.161 299 2HG GLU 7 HG1 GLU 7 -3.664 -17.199 1.304 300 H GLN 8 HN GLN 8 -6.081 -16.480 -3.294 301 HA GLN 8 HA GLN 8 -3.931 -15.519 -4.932 302 1HB GLN 8 HB2 GLN 8 -5.861 -17.307 -5.391 303 2HB GLN 8 HB1 GLN 8 -6.667 -15.888 -6.046 304 1HG GLN 8 HG2 GLN 8 -4.616 -15.507 -7.452 305 2HG GLN 8 HG1 GLN 8 -4.066 -17.099 -6.931 306 1HE2 GLN 8 HE21 GLN 8 -4.666 -16.220 -9.603 307 2HE2 GLN 8 HE22 GLN 8 -5.938 -17.232 -10.190 308 H LYS 9 HN LYS 9 -7.124 -14.363 -3.983 309 HA LYS 9 HA LYS 9 -7.176 -12.046 -5.565 310 1HB LYS 9 HB2 LYS 9 -8.560 -12.837 -3.018 311 2HB LYS 9 HB1 LYS 9 -8.787 -11.237 -3.709 312 1HG LYS 9 HG2 LYS 9 -9.421 -12.464 -5.865 313 2HG LYS 9 HG1 LYS 9 -9.567 -13.896 -4.844 314 1HD LYS 9 HD2 LYS 9 -10.916 -11.648 -3.642 315 2HD LYS 9 HD1 LYS 9 -11.496 -11.913 -5.287 316 1HE LYS 9 HE2 LYS 9 -12.848 -13.431 -4.337 317 2HE LYS 9 HE1 LYS 9 -11.415 -14.457 -4.332 318 1HZ LYS 9 HZ1 LYS 9 -12.841 -13.915 -2.157 319 2HZ LYS 9 HZ2 LYS 9 -11.699 -12.670 -2.061 320 3HZ LYS 9 HZ3 LYS 9 -11.190 -14.283 -2.115 321 H ILE 10 HN ILE 10 -5.939 -12.638 -2.307 322 HA ILE 10 HA ILE 10 -5.315 -9.922 -1.763 323 HB ILE 10 HB ILE 10 -3.762 -10.873 -0.027 324 1HG1 ILE 10 HG12 ILE 10 -5.063 -13.499 -0.755 325 2HG1 ILE 10 HG11 ILE 10 -3.422 -13.059 -1.216 326 1HG2 ILE 10 HG21 ILE 10 -6.529 -11.989 0.242 327 2HG2 ILE 10 HG22 ILE 10 -6.234 -10.252 0.224 328 3HG2 ILE 10 HG23 ILE 10 -5.505 -11.257 1.476 329 1HD1 ILE 10 HD11 ILE 10 -2.935 -12.761 1.229 330 2HD1 ILE 10 HD12 ILE 10 -3.253 -14.413 0.702 331 3HD1 ILE 10 HD13 ILE 10 -4.505 -13.499 1.545 332 H ASP 11 HN ASP 11 -3.409 -12.637 -3.039 333 HA ASP 11 HA ASP 11 -0.895 -11.517 -3.069 334 1HB ASP 11 HB2 ASP 11 -1.764 -13.837 -3.942 335 2HB ASP 11 HB1 ASP 11 -1.859 -13.004 -5.491 336 H ASP 12 HN ASP 12 -3.624 -10.920 -5.160 337 HA ASP 12 HA ASP 12 -2.270 -9.329 -7.087 338 1HB ASP 12 HB2 ASP 12 -5.120 -9.796 -6.325 339 2HB ASP 12 HB1 ASP 12 -4.749 -8.372 -7.292 340 H ILE 13 HN ILE 13 -4.044 -8.638 -4.122 341 HA ILE 13 HA ILE 13 -3.863 -5.831 -4.215 342 HB ILE 13 HB ILE 13 -3.891 -7.495 -1.697 343 1HG1 ILE 13 HG12 ILE 13 -6.187 -6.698 -3.499 344 2HG1 ILE 13 HG11 ILE 13 -5.661 -8.333 -3.114 345 1HG2 ILE 13 HG21 ILE 13 -5.462 -5.041 -1.807 346 2HG2 ILE 13 HG22 ILE 13 -3.735 -4.777 -2.040 347 3HG2 ILE 13 HG23 ILE 13 -4.314 -5.600 -0.591 348 1HD1 ILE 13 HD11 ILE 13 -7.719 -7.580 -1.931 349 2HD1 ILE 13 HD12 ILE 13 -6.725 -6.405 -1.071 350 3HD1 ILE 13 HD13 ILE 13 -6.421 -8.131 -0.873 351 H ASP 14 HN ASP 14 -1.813 -8.272 -2.634 352 HA ASP 14 HA ASP 14 0.018 -6.688 -1.358 353 1HB ASP 14 HB2 ASP 14 -0.160 -9.305 -1.649 354 2HB ASP 14 HB1 ASP 14 1.038 -9.032 -2.911 355 H HIS 15 HN HIS 15 -0.280 -7.294 -4.789 356 HA HIS 15 HA HIS 15 2.259 -6.134 -5.465 357 1HB HIS 15 HB2 HIS 15 0.677 -7.816 -6.796 358 2HB HIS 15 HB1 HIS 15 0.059 -6.310 -7.468 359 HD1 HIS 15 HD1 HIS 15 3.364 -5.423 -6.970 360 HD2 HIS 15 HD2 HIS 15 1.539 -8.043 -9.629 361 HE1 HIS 15 HE1 HIS 15 4.990 -5.694 -8.868 362 HE2 HIS 15 HE2 HIS 15 3.828 -7.218 -10.504 363 H GLU 16 HN GLU 16 -1.014 -5.025 -5.057 364 HA GLU 16 HA GLU 16 -0.502 -2.464 -6.294 365 1HB GLU 16 HB2 GLU 16 -2.901 -3.174 -4.621 366 2HB GLU 16 HB1 GLU 16 -2.782 -1.971 -5.900 367 1HG GLU 16 HG2 GLU 16 -2.362 -4.865 -6.511 368 2HG GLU 16 HG1 GLU 16 -3.992 -4.213 -6.350 369 H ILE 17 HN ILE 17 -0.672 -3.825 -3.080 370 HA ILE 17 HA ILE 17 -0.778 -1.430 -1.602 371 HB ILE 17 HB ILE 17 0.536 -4.003 -0.725 372 1HG1 ILE 17 HG12 ILE 17 -2.319 -3.349 -0.129 373 2HG1 ILE 17 HG11 ILE 17 -1.921 -4.048 -1.690 374 1HG2 ILE 17 HG21 ILE 17 -0.965 -2.580 1.275 375 2HG2 ILE 17 HG22 ILE 17 0.248 -1.529 0.543 376 3HG2 ILE 17 HG23 ILE 17 0.732 -3.058 1.275 377 1HD1 ILE 17 HD11 ILE 17 -2.025 -6.040 -0.736 378 2HD1 ILE 17 HD12 ILE 17 -2.189 -5.316 0.864 379 3HD1 ILE 17 HD13 ILE 17 -0.587 -5.617 0.194 380 H ALA 18 HN ALA 18 1.864 -3.307 -2.955 381 HA ALA 18 HA ALA 18 3.937 -1.779 -1.689 382 1HB ALA 18 HB1 ALA 18 3.776 -4.074 -3.521 383 2HB ALA 18 HB2 ALA 18 4.841 -3.789 -2.145 384 3HB ALA 18 HB3 ALA 18 5.205 -3.057 -3.708 385 H ASP 19 HN ASP 19 2.338 -1.781 -4.829 386 HA ASP 19 HA ASP 19 4.047 -0.152 -6.274 387 1HB ASP 19 HB2 ASP 19 1.602 -1.288 -6.736 388 2HB ASP 19 HB1 ASP 19 1.191 0.424 -6.694 389 H LEU 20 HN LEU 20 1.448 0.773 -4.053 390 HA LEU 20 HA LEU 20 1.713 3.566 -4.464 391 1HB LEU 20 HB2 LEU 20 0.677 2.329 -1.937 392 2HB LEU 20 HB1 LEU 20 0.206 3.844 -2.684 393 HG LEU 20 HG LEU 20 -0.577 1.052 -3.448 394 1HD1 LEU 20 HD11 LEU 20 -2.169 1.884 -2.032 395 2HD1 LEU 20 HD12 LEU 20 -2.811 2.411 -3.587 396 3HD1 LEU 20 HD13 LEU 20 -1.935 3.549 -2.563 397 1HD2 LEU 20 HD21 LEU 20 -0.101 3.288 -5.252 398 2HD2 LEU 20 HD22 LEU 20 -1.753 2.676 -5.334 399 3HD2 LEU 20 HD23 LEU 20 -0.394 1.586 -5.609 400 H GLN 21 HN GLN 21 2.855 1.423 -1.861 401 HA GLN 21 HA GLN 21 4.118 3.266 -0.259 402 1HB GLN 21 HB2 GLN 21 3.849 0.722 0.048 403 2HB GLN 21 HB1 GLN 21 5.362 0.590 -0.838 404 1HG GLN 21 HG2 GLN 21 6.538 1.065 0.974 405 2HG GLN 21 HG1 GLN 21 5.608 2.535 1.257 406 1HE2 GLN 21 HE21 GLN 21 5.109 -0.977 1.475 407 2HE2 GLN 21 HE22 GLN 21 4.355 -0.944 3.029 408 H ALA 22 HN ALA 22 5.365 1.709 -3.172 409 HA ALA 22 HA ALA 22 7.988 2.699 -3.050 410 1HB ALA 22 HB1 ALA 22 7.879 1.085 -4.638 411 2HB ALA 22 HB2 ALA 22 7.648 2.477 -5.695 412 3HB ALA 22 HB3 ALA 22 6.255 1.543 -5.149 413 H LYS 23 HN LYS 23 5.038 4.051 -4.432 414 HA LYS 23 HA LYS 23 6.209 6.269 -5.704 415 1HB LYS 23 HB2 LYS 23 3.493 5.449 -4.901 416 2HB LYS 23 HB1 LYS 23 3.732 7.184 -5.057 417 1HG LYS 23 HG2 LYS 23 2.919 6.321 -7.135 418 2HG LYS 23 HG1 LYS 23 4.599 6.816 -7.345 419 1HD LYS 23 HD2 LYS 23 5.099 4.779 -8.080 420 2HD LYS 23 HD1 LYS 23 4.606 4.103 -6.527 421 1HE LYS 23 HE2 LYS 23 3.064 3.004 -7.726 422 2HE LYS 23 HE1 LYS 23 2.199 4.540 -7.727 423 1HZ LYS 23 HZ1 LYS 23 3.601 3.202 -9.887 424 2HZ LYS 23 HZ2 LYS 23 3.813 4.878 -9.813 425 3HZ LYS 23 HZ3 LYS 23 2.257 4.228 -9.938 426 H ARG 24 HN ARG 24 5.161 5.726 -2.399 427 HA ARG 24 HA ARG 24 5.420 8.471 -1.605 428 1HB ARG 24 HB2 ARG 24 4.087 6.433 -0.528 429 2HB ARG 24 HB1 ARG 24 5.571 6.284 0.407 430 1HG ARG 24 HG2 ARG 24 5.278 8.811 0.830 431 2HG ARG 24 HG1 ARG 24 3.611 8.536 0.325 432 1HD ARG 24 HD2 ARG 24 3.306 6.909 2.078 433 2HD ARG 24 HD1 ARG 24 5.008 7.023 2.525 434 HE ARG 24 HE ARG 24 3.553 9.512 2.652 435 1HH1 ARG 24 HH11 ARG 24 4.539 6.654 4.397 436 2HH1 ARG 24 HH12 ARG 24 4.389 7.402 5.951 437 1HH2 ARG 24 HH21 ARG 24 3.358 10.494 4.685 438 2HH2 ARG 24 HH22 ARG 24 3.715 9.585 6.116 439 H THR 25 HN THR 25 7.430 5.566 -1.279 440 HA THR 25 HA THR 25 9.454 6.685 0.303 441 HB THR 25 HB THR 25 10.235 4.697 -1.749 442 HG1 THR 25 HG1 THR 25 8.382 4.081 0.306 443 1HG2 THR 25 HG21 THR 25 10.739 5.176 1.126 444 2HG2 THR 25 HG22 THR 25 11.855 4.740 -0.169 445 3HG2 THR 25 HG23 THR 25 10.804 3.514 0.541 446 H ARG 26 HN ARG 26 9.359 6.232 -3.233 447 HA ARG 26 HA ARG 26 11.757 7.432 -3.880 448 1HB ARG 26 HB2 ARG 26 10.580 8.054 -6.067 449 2HB ARG 26 HB1 ARG 26 10.619 6.352 -5.629 450 1HG ARG 26 HG2 ARG 26 8.427 6.297 -5.901 451 2HG ARG 26 HG1 ARG 26 8.273 7.350 -4.495 452 1HD ARG 26 HD2 ARG 26 7.140 8.565 -6.083 453 2HD ARG 26 HD1 ARG 26 8.760 9.243 -6.232 454 HE ARG 26 HE ARG 26 8.689 7.180 -8.031 455 1HH1 ARG 26 HH11 ARG 26 6.813 10.074 -7.500 456 2HH1 ARG 26 HH12 ARG 26 6.409 10.269 -9.173 457 1HH2 ARG 26 HH21 ARG 26 8.159 7.435 -10.231 458 2HH2 ARG 26 HH22 ARG 26 7.172 8.771 -10.723 459 H LEU 27 HN LEU 27 8.600 8.948 -3.366 460 HA LEU 27 HA LEU 27 9.378 11.580 -4.002 461 1HB LEU 27 HB2 LEU 27 7.085 10.264 -2.796 462 2HB LEU 27 HB1 LEU 27 7.426 11.800 -2.022 463 HG LEU 27 HG LEU 27 7.484 12.741 -4.442 464 1HD1 LEU 27 HD11 LEU 27 5.992 11.536 -5.979 465 2HD1 LEU 27 HD12 LEU 27 5.929 10.191 -4.841 466 3HD1 LEU 27 HD13 LEU 27 7.456 10.622 -5.611 467 1HD2 LEU 27 HD21 LEU 27 5.233 13.362 -4.257 468 2HD2 LEU 27 HD22 LEU 27 5.753 13.078 -2.595 469 3HD2 LEU 27 HD23 LEU 27 4.795 11.862 -3.440 470 H VAL 28 HN VAL 28 9.551 9.676 -1.044 471 HA VAL 28 HA VAL 28 10.272 11.766 0.708 472 HB VAL 28 HB VAL 28 11.114 8.877 0.904 473 1HG1 VAL 28 HG11 VAL 28 12.341 10.231 2.444 474 2HG1 VAL 28 HG12 VAL 28 11.099 9.371 3.353 475 3HG1 VAL 28 HG13 VAL 28 10.877 11.073 2.952 476 1HG2 VAL 28 HG21 VAL 28 9.002 8.311 1.301 477 2HG2 VAL 28 HG22 VAL 28 8.503 9.960 0.925 478 3HG2 VAL 28 HG23 VAL 28 8.896 9.514 2.585 479 H GLN 29 HN GLN 29 12.191 9.525 -1.245 480 HA GLN 29 HA GLN 29 14.740 10.238 -0.431 481 1HB GLN 29 HB2 GLN 29 13.570 9.135 -2.930 482 2HB GLN 29 HB1 GLN 29 15.193 9.803 -3.045 483 1HG GLN 29 HG2 GLN 29 15.748 7.680 -2.521 484 2HG GLN 29 HG1 GLN 29 15.539 8.297 -0.883 485 1HE2 GLN 29 HE21 GLN 29 13.819 6.675 -3.508 486 2HE2 GLN 29 HE22 GLN 29 12.782 5.739 -2.491 487 H GLN 30 HN GLN 30 12.469 11.905 -2.472 488 HA GLN 30 HA GLN 30 14.300 13.826 -3.519 489 1HB GLN 30 HB2 GLN 30 11.813 13.103 -4.223 490 2HB GLN 30 HB1 GLN 30 11.422 14.512 -3.248 491 1HG GLN 30 HG2 GLN 30 12.649 15.951 -4.650 492 2HG GLN 30 HG1 GLN 30 13.436 14.603 -5.470 493 1HE2 GLN 30 HE21 GLN 30 11.514 12.965 -6.198 494 2HE2 GLN 30 HE22 GLN 30 10.359 13.735 -7.226 495 H HIS 31 HN HIS 31 12.317 13.571 -0.641 496 HA HIS 31 HA HIS 31 13.618 15.990 0.378 497 1HB HIS 31 HB2 HIS 31 11.564 16.859 1.324 498 2HB HIS 31 HB1 HIS 31 11.370 16.653 -0.412 499 HD1 HIS 31 HD1 HIS 31 10.265 14.102 -0.951 500 HD2 HIS 31 HD2 HIS 31 9.402 15.960 2.657 501 HE1 HIS 31 HE1 HIS 31 8.144 13.037 -0.136 502 HE2 HIS 31 HE2 HIS 31 7.776 14.021 2.152 503 HA PRO 32 HA PRO 32 13.745 12.376 3.335 504 1HB PRO 32 HB2 PRO 32 16.405 12.571 3.863 505 2HB PRO 32 HB1 PRO 32 15.754 11.622 2.522 506 1HG PRO 32 HG2 PRO 32 16.928 14.376 2.499 507 2HG PRO 32 HG1 PRO 32 17.186 13.041 1.361 508 1HD PRO 32 HD2 PRO 32 15.510 15.094 0.827 509 2HD PRO 32 HD1 PRO 32 15.207 13.445 0.244 510 H ARG 33 HN ARG 33 14.610 15.715 3.393 511 HA ARG 33 HA ARG 33 14.431 15.696 6.333 512 1HB ARG 33 HB2 ARG 33 15.984 17.525 6.451 513 2HB ARG 33 HB1 ARG 33 16.714 16.246 5.491 514 1HG ARG 33 HG2 ARG 33 15.287 18.575 4.244 515 2HG ARG 33 HG1 ARG 33 17.001 18.619 4.656 516 1HD ARG 33 HD2 ARG 33 17.465 17.618 2.730 517 2HD ARG 33 HD1 ARG 33 16.553 16.207 3.262 518 HE ARG 33 HE ARG 33 14.964 16.772 1.739 519 1HH1 ARG 33 HH11 ARG 33 16.693 19.676 2.614 520 2HH1 ARG 33 HH12 ARG 33 15.818 20.679 1.507 521 1HH2 ARG 33 HH21 ARG 33 13.814 18.091 0.283 522 2HH2 ARG 33 HH22 ARG 33 14.183 19.780 0.183 Start of MODEL 27 1 H CYS 1 HT1 CYS 1 10.720 15.302 4.950 2 HA CYS 1 HA CYS 1 9.298 17.369 6.488 3 1HB CYS 1 HB2 CYS 1 11.546 16.296 7.278 4 2HB CYS 1 HB1 CYS 1 12.251 17.220 5.956 5 HG CYS 1 HG CYS 1 11.714 19.384 7.165 6 H GLY 2 HN GLY 2 8.256 18.437 4.858 7 1HA GLY 2 HA2 GLY 2 9.978 19.783 2.920 8 2HA GLY 2 HA1 GLY 2 8.667 18.808 2.275 9 H GLY 3 HN GLY 3 6.539 19.325 3.773 10 1HA GLY 3 HA2 GLY 3 4.821 20.852 3.925 11 2HA GLY 3 HA1 GLY 3 6.019 21.838 4.750 12 H ASP 4 HN ASP 4 5.685 20.801 1.364 13 HA ASP 4 HA ASP 4 5.458 23.620 0.582 14 1HB ASP 4 HB2 ASP 4 7.428 21.579 -0.443 15 2HB ASP 4 HB1 ASP 4 7.005 23.018 -1.372 16 H ASN 5 HN ASN 5 5.930 20.795 -1.444 17 HA ASN 5 HA ASN 5 3.116 20.740 -2.203 18 1HB ASN 5 HB2 ASN 5 4.772 22.224 -3.735 19 2HB ASN 5 HB1 ASN 5 5.031 20.644 -4.469 20 1HD2 ASN 5 HD21 ASN 5 2.606 19.486 -4.340 21 2HD2 ASN 5 HD22 ASN 5 1.455 20.382 -5.265 22 H ILE 6 HN ILE 6 6.357 19.401 -2.593 23 HA ILE 6 HA ILE 6 5.583 16.869 -3.577 24 HB ILE 6 HB ILE 6 8.014 17.224 -1.857 25 1HG1 ILE 6 HG12 ILE 6 7.592 18.329 -4.638 26 2HG1 ILE 6 HG11 ILE 6 8.154 19.185 -3.206 27 1HG2 ILE 6 HG21 ILE 6 8.985 15.645 -3.421 28 2HG2 ILE 6 HG22 ILE 6 7.505 15.668 -4.381 29 3HG2 ILE 6 HG23 ILE 6 7.481 15.024 -2.740 30 1HD1 ILE 6 HD11 ILE 6 10.250 18.007 -3.272 31 2HD1 ILE 6 HD12 ILE 6 9.937 18.753 -4.839 32 3HD1 ILE 6 HD13 ILE 6 9.689 17.020 -4.622 33 H GLU 7 HN GLU 7 6.438 18.019 -0.349 34 HA GLU 7 HA GLU 7 6.091 15.679 1.092 35 1HB GLU 7 HB2 GLU 7 7.040 17.719 2.055 36 2HB GLU 7 HB1 GLU 7 5.470 18.508 1.965 37 1HG GLU 7 HG2 GLU 7 5.225 17.850 4.077 38 2HG GLU 7 HG1 GLU 7 4.893 16.257 3.398 39 H GLN 8 HN GLN 8 3.683 17.924 -0.107 40 HA GLN 8 HA GLN 8 1.518 16.742 1.369 41 1HB GLN 8 HB2 GLN 8 1.506 19.118 0.644 42 2HB GLN 8 HB1 GLN 8 1.422 18.582 -1.029 43 1HG GLN 8 HG2 GLN 8 -0.650 17.455 0.703 44 2HG GLN 8 HG1 GLN 8 -0.714 19.208 0.528 45 1HE2 GLN 8 HE21 GLN 8 -2.824 18.320 -0.447 46 2HE2 GLN 8 HE22 GLN 8 -2.806 18.081 -2.159 47 H LYS 9 HN LYS 9 2.891 16.457 -1.846 48 HA LYS 9 HA LYS 9 0.868 14.974 -3.075 49 1HB LYS 9 HB2 LYS 9 3.222 15.982 -3.910 50 2HB LYS 9 HB1 LYS 9 3.669 14.288 -3.756 51 1HG LYS 9 HG2 LYS 9 1.480 13.893 -5.130 52 2HG LYS 9 HG1 LYS 9 1.722 15.577 -5.604 53 1HD LYS 9 HD2 LYS 9 4.214 14.623 -5.969 54 2HD LYS 9 HD1 LYS 9 3.276 13.164 -6.297 55 1HE LYS 9 HE2 LYS 9 2.287 15.637 -7.558 56 2HE LYS 9 HE1 LYS 9 3.840 15.047 -8.148 57 1HZ LYS 9 HZ1 LYS 9 2.515 13.827 -9.476 58 2HZ LYS 9 HZ2 LYS 9 1.188 13.892 -8.429 59 3HZ LYS 9 HZ3 LYS 9 2.440 12.793 -8.138 60 H ILE 10 HN ILE 10 3.573 13.955 -1.047 61 HA ILE 10 HA ILE 10 3.140 11.171 -1.425 62 HB ILE 10 HB ILE 10 4.490 10.914 0.684 63 1HG1 ILE 10 HG12 ILE 10 4.936 13.887 0.374 64 2HG1 ILE 10 HG11 ILE 10 3.894 13.174 1.602 65 1HG2 ILE 10 HG21 ILE 10 6.369 10.943 -0.555 66 2HG2 ILE 10 HG22 ILE 10 6.126 12.610 -1.077 67 3HG2 ILE 10 HG23 ILE 10 5.246 11.302 -1.868 68 1HD1 ILE 10 HD11 ILE 10 5.817 11.971 2.517 69 2HD1 ILE 10 HD12 ILE 10 6.055 13.718 2.527 70 3HD1 ILE 10 HD13 ILE 10 6.852 12.726 1.306 71 H ASP 11 HN ASP 11 2.119 13.481 1.072 72 HA ASP 11 HA ASP 11 0.993 11.789 2.921 73 1HB ASP 11 HB2 ASP 11 1.035 14.471 2.637 74 2HB ASP 11 HB1 ASP 11 -0.643 14.160 2.204 75 H ASP 12 HN ASP 12 -0.201 12.737 -0.216 76 HA ASP 12 HA ASP 12 -2.811 11.636 0.048 77 1HB ASP 12 HB2 ASP 12 -1.107 12.547 -2.238 78 2HB ASP 12 HB1 ASP 12 -2.538 11.580 -2.582 79 H ILE 13 HN ILE 13 0.204 10.463 -1.403 80 HA ILE 13 HA ILE 13 -0.729 7.950 -2.217 81 HB ILE 13 HB ILE 13 2.069 8.597 -1.276 82 1HG1 ILE 13 HG12 ILE 13 0.830 8.897 -4.022 83 2HG1 ILE 13 HG11 ILE 13 1.338 10.212 -2.968 84 1HG2 ILE 13 HG21 ILE 13 0.968 6.177 -2.022 85 2HG2 ILE 13 HG22 ILE 13 2.685 6.577 -1.990 86 3HG2 ILE 13 HG23 ILE 13 1.769 6.740 -3.489 87 1HD1 ILE 13 HD11 ILE 13 3.306 8.144 -3.834 88 2HD1 ILE 13 HD12 ILE 13 3.577 9.816 -3.339 89 3HD1 ILE 13 HD13 ILE 13 2.863 9.466 -4.913 90 H ASP 14 HN ASP 14 0.840 8.968 0.809 91 HA ASP 14 HA ASP 14 1.059 6.570 2.119 92 1HB ASP 14 HB2 ASP 14 1.552 9.093 2.837 93 2HB ASP 14 HB1 ASP 14 0.040 8.869 3.710 94 H HIS 15 HN HIS 15 -1.826 8.478 1.560 95 HA HIS 15 HA HIS 15 -3.482 6.982 3.356 96 1HB HIS 15 HB2 HIS 15 -3.839 9.382 2.432 97 2HB HIS 15 HB1 HIS 15 -4.510 8.571 1.021 98 HD1 HIS 15 HD1 HIS 15 -5.453 6.482 3.692 99 HD2 HIS 15 HD2 HIS 15 -6.760 10.190 2.346 100 HE1 HIS 15 HE1 HIS 15 -7.761 6.770 4.650 101 HE2 HIS 15 HE2 HIS 15 -8.494 9.059 3.898 102 H GLU 16 HN GLU 16 -2.485 6.717 0.041 103 HA GLU 16 HA GLU 16 -4.509 4.762 -0.614 104 1HB GLU 16 HB2 GLU 16 -2.086 5.438 -2.268 105 2HB GLU 16 HB1 GLU 16 -3.631 4.797 -2.814 106 1HG GLU 16 HG2 GLU 16 -4.709 6.857 -2.536 107 2HG GLU 16 HG1 GLU 16 -3.401 7.503 -1.545 108 H ILE 17 HN ILE 17 -1.117 4.844 0.240 109 HA ILE 17 HA ILE 17 -0.447 2.192 -0.418 110 HB ILE 17 HB ILE 17 0.751 3.820 1.825 111 1HG1 ILE 17 HG12 ILE 17 1.912 3.758 -0.926 112 2HG1 ILE 17 HG11 ILE 17 0.564 4.841 -0.610 113 1HG2 ILE 17 HG21 ILE 17 1.859 1.886 2.091 114 2HG2 ILE 17 HG22 ILE 17 2.773 2.421 0.680 115 3HG2 ILE 17 HG23 ILE 17 1.426 1.298 0.485 116 1HD1 ILE 17 HD11 ILE 17 2.005 6.318 0.174 117 2HD1 ILE 17 HD12 ILE 17 3.330 5.166 0.005 118 3HD1 ILE 17 HD13 ILE 17 2.383 5.210 1.492 119 H ALA 18 HN ALA 18 -1.993 3.641 2.361 120 HA ALA 18 HA ALA 18 -1.812 1.275 3.995 121 1HB ALA 18 HB1 ALA 18 -2.814 4.022 4.310 122 2HB ALA 18 HB2 ALA 18 -1.932 2.995 5.441 123 3HB ALA 18 HB3 ALA 18 -3.672 2.792 5.237 124 H ASP 19 HN ASP 19 -4.251 2.845 1.986 125 HA ASP 19 HA ASP 19 -6.501 1.401 2.715 126 1HB ASP 19 HB2 ASP 19 -5.628 2.809 0.243 127 2HB ASP 19 HB1 ASP 19 -7.008 1.723 0.109 128 H LEU 20 HN LEU 20 -3.984 0.564 0.368 129 HA LEU 20 HA LEU 20 -5.205 -1.856 -0.483 130 1HB LEU 20 HB2 LEU 20 -2.261 -1.275 -0.594 131 2HB LEU 20 HB1 LEU 20 -3.205 -2.293 -1.663 132 HG LEU 20 HG LEU 20 -3.160 0.712 -1.547 133 1HD1 LEU 20 HD11 LEU 20 -1.394 -0.163 -2.859 134 2HD1 LEU 20 HD12 LEU 20 -2.640 0.379 -3.984 135 3HD1 LEU 20 HD13 LEU 20 -2.457 -1.338 -3.630 136 1HD2 LEU 20 HD21 LEU 20 -5.494 -0.156 -1.755 137 2HD2 LEU 20 HD22 LEU 20 -4.997 -0.975 -3.235 138 3HD2 LEU 20 HD23 LEU 20 -4.938 0.784 -3.139 139 H GLN 21 HN GLN 21 -2.413 -1.247 1.648 140 HA GLN 21 HA GLN 21 -1.870 -3.838 2.406 141 1HB GLN 21 HB2 GLN 21 -0.714 -1.569 3.016 142 2HB GLN 21 HB1 GLN 21 -1.737 -1.648 4.445 143 1HG GLN 21 HG2 GLN 21 -0.637 -4.162 4.336 144 2HG GLN 21 HG1 GLN 21 0.678 -3.126 3.786 145 1HE2 GLN 21 HE21 GLN 21 1.924 -2.323 5.307 146 2HE2 GLN 21 HE22 GLN 21 1.493 -2.090 6.964 147 H ALA 22 HN ALA 22 -4.415 -1.718 3.542 148 HA ALA 22 HA ALA 22 -5.176 -3.357 5.759 149 1HB ALA 22 HB1 ALA 22 -7.192 -1.553 4.589 150 2HB ALA 22 HB2 ALA 22 -5.685 -0.796 5.103 151 3HB ALA 22 HB3 ALA 22 -6.646 -1.721 6.257 152 H LYS 23 HN LYS 23 -5.984 -3.226 2.372 153 HA LYS 23 HA LYS 23 -8.359 -4.803 2.556 154 1HB LYS 23 HB2 LYS 23 -6.621 -3.810 0.340 155 2HB LYS 23 HB1 LYS 23 -7.754 -5.112 0.002 156 1HG LYS 23 HG2 LYS 23 -9.568 -3.774 0.192 157 2HG LYS 23 HG1 LYS 23 -8.826 -2.757 1.431 158 1HD LYS 23 HD2 LYS 23 -8.799 -1.285 -0.309 159 2HD LYS 23 HD1 LYS 23 -7.255 -2.087 -0.600 160 1HE LYS 23 HE2 LYS 23 -7.955 -2.934 -2.543 161 2HE LYS 23 HE1 LYS 23 -9.472 -3.492 -1.839 162 1HZ LYS 23 HZ1 LYS 23 -10.320 -1.206 -2.055 163 2HZ LYS 23 HZ2 LYS 23 -9.923 -1.894 -3.549 164 3HZ LYS 23 HZ3 LYS 23 -8.889 -0.758 -2.839 165 H ARG 24 HN ARG 24 -4.949 -5.489 2.092 166 HA ARG 24 HA ARG 24 -5.263 -8.187 1.263 167 1HB ARG 24 HB2 ARG 24 -3.079 -6.393 1.924 168 2HB ARG 24 HB1 ARG 24 -2.786 -8.015 2.535 169 1HG ARG 24 HG2 ARG 24 -3.536 -8.697 0.104 170 2HG ARG 24 HG1 ARG 24 -3.019 -7.050 -0.261 171 1HD ARG 24 HD2 ARG 24 -0.899 -7.698 -0.260 172 2HD ARG 24 HD1 ARG 24 -1.056 -8.259 1.403 173 HE ARG 24 HE ARG 24 -2.004 -10.059 -0.672 174 1HH1 ARG 24 HH11 ARG 24 0.587 -9.186 1.504 175 2HH1 ARG 24 HH12 ARG 24 1.332 -10.746 1.434 176 1HH2 ARG 24 HH21 ARG 24 -1.020 -12.107 -0.761 177 2HH2 ARG 24 HH22 ARG 24 0.423 -12.402 0.149 178 H THR 25 HN THR 25 -4.640 -6.690 4.422 179 HA THR 25 HA THR 25 -4.383 -9.065 5.894 180 HB THR 25 HB THR 25 -5.628 -6.767 7.261 181 HG1 THR 25 HG1 THR 25 -3.700 -5.543 7.075 182 1HG2 THR 25 HG21 THR 25 -3.971 -7.106 8.896 183 2HG2 THR 25 HG22 THR 25 -2.982 -8.071 7.800 184 3HG2 THR 25 HG23 THR 25 -4.513 -8.709 8.402 185 H ARG 26 HN ARG 26 -7.206 -6.902 5.605 186 HA ARG 26 HA ARG 26 -9.031 -8.357 7.058 187 1HB ARG 26 HB2 ARG 26 -10.779 -7.274 5.752 188 2HB ARG 26 HB1 ARG 26 -9.492 -6.132 6.111 189 1HG ARG 26 HG2 ARG 26 -8.610 -6.380 3.866 190 2HG ARG 26 HG1 ARG 26 -9.846 -7.585 3.498 191 1HD ARG 26 HD2 ARG 26 -10.383 -4.718 4.264 192 2HD ARG 26 HD1 ARG 26 -10.402 -5.350 2.618 193 HE ARG 26 HE ARG 26 -12.171 -6.939 3.896 194 1HH1 ARG 26 HH11 ARG 26 -11.826 -3.473 3.671 195 2HH1 ARG 26 HH12 ARG 26 -13.523 -3.169 3.832 196 1HH2 ARG 26 HH21 ARG 26 -14.403 -6.540 4.108 197 2HH2 ARG 26 HH22 ARG 26 -14.986 -4.908 4.081 198 H LEU 27 HN LEU 27 -8.080 -8.785 3.689 199 HA LEU 27 HA LEU 27 -9.927 -10.830 3.076 200 1HB LEU 27 HB2 LEU 27 -7.371 -9.852 1.887 201 2HB LEU 27 HB1 LEU 27 -7.995 -11.404 1.361 202 HG LEU 27 HG LEU 27 -9.561 -8.829 1.232 203 1HD1 LEU 27 HD11 LEU 27 -8.110 -10.273 -0.980 204 2HD1 LEU 27 HD12 LEU 27 -7.581 -8.769 -0.226 205 3HD1 LEU 27 HD13 LEU 27 -9.089 -8.815 -1.139 206 1HD2 LEU 27 HD21 LEU 27 -11.275 -10.008 0.371 207 2HD2 LEU 27 HD22 LEU 27 -10.531 -11.347 1.245 208 3HD2 LEU 27 HD23 LEU 27 -10.216 -11.134 -0.477 209 H VAL 28 HN VAL 28 -6.662 -10.839 4.424 210 HA VAL 28 HA VAL 28 -6.211 -13.612 4.337 211 HB VAL 28 HB VAL 28 -5.202 -11.702 6.437 212 1HG1 VAL 28 HG11 VAL 28 -4.962 -14.402 6.396 213 2HG1 VAL 28 HG12 VAL 28 -3.798 -13.309 7.144 214 3HG1 VAL 28 HG13 VAL 28 -3.514 -13.918 5.513 215 1HG2 VAL 28 HG21 VAL 28 -3.265 -12.246 4.419 216 2HG2 VAL 28 HG22 VAL 28 -3.961 -10.697 4.892 217 3HG2 VAL 28 HG23 VAL 28 -4.741 -11.670 3.645 218 H GLN 29 HN GLN 29 -7.596 -11.547 6.862 219 HA GLN 29 HA GLN 29 -8.018 -13.436 8.839 220 1HB GLN 29 HB2 GLN 29 -9.317 -10.876 8.075 221 2HB GLN 29 HB1 GLN 29 -10.222 -11.924 9.160 222 1HG GLN 29 HG2 GLN 29 -9.074 -10.612 10.642 223 2HG GLN 29 HG1 GLN 29 -7.998 -12.002 10.502 224 1HE2 GLN 29 HE21 GLN 29 -6.041 -11.149 10.799 225 2HE2 GLN 29 HE22 GLN 29 -5.369 -9.855 9.874 226 H GLN 30 HN GLN 30 -9.741 -12.855 5.865 227 HA GLN 30 HA GLN 30 -12.009 -14.468 6.442 228 1HB GLN 30 HB2 GLN 30 -11.544 -12.678 4.540 229 2HB GLN 30 HB1 GLN 30 -11.043 -14.103 3.642 230 1HG GLN 30 HG2 GLN 30 -13.168 -15.030 3.676 231 2HG GLN 30 HG1 GLN 30 -13.684 -14.038 5.038 232 1HE2 GLN 30 HE21 GLN 30 -14.851 -14.454 2.354 233 2HE2 GLN 30 HE22 GLN 30 -15.022 -12.873 1.679 234 H HIS 31 HN HIS 31 -8.797 -15.090 5.187 235 HA HIS 31 HA HIS 31 -9.394 -17.959 5.306 236 1HB HIS 31 HB2 HIS 31 -8.202 -18.410 3.236 237 2HB HIS 31 HB1 HIS 31 -9.532 -17.299 2.934 238 HD1 HIS 31 HD1 HIS 31 -8.588 -14.626 3.149 239 HD2 HIS 31 HD2 HIS 31 -5.980 -17.617 1.932 240 HE1 HIS 31 HE1 HIS 31 -6.742 -13.451 1.921 241 HE2 HIS 31 HE2 HIS 31 -5.070 -15.260 1.405 242 HA PRO 32 HA PRO 32 -5.581 -16.727 7.716 243 1HB PRO 32 HB2 PRO 32 -6.086 -18.664 9.632 244 2HB PRO 32 HB1 PRO 32 -6.568 -16.970 9.751 245 1HG PRO 32 HG2 PRO 32 -8.174 -19.345 8.920 246 2HG PRO 32 HG1 PRO 32 -8.659 -17.945 9.894 247 1HD PRO 32 HD2 PRO 32 -9.364 -18.179 7.314 248 2HD PRO 32 HD1 PRO 32 -8.974 -16.602 8.033 249 H ARG 33 HN ARG 33 -6.606 -20.106 8.029 250 HA ARG 33 HA ARG 33 -4.070 -20.907 6.764 251 1HB ARG 33 HB2 ARG 33 -4.409 -23.066 8.027 252 2HB ARG 33 HB1 ARG 33 -4.077 -21.653 9.020 253 1HG ARG 33 HG2 ARG 33 -6.915 -22.356 8.508 254 2HG ARG 33 HG1 ARG 33 -5.990 -23.367 9.622 255 1HD ARG 33 HD2 ARG 33 -5.305 -20.882 10.474 256 2HD ARG 33 HD1 ARG 33 -6.959 -20.609 9.925 257 HE ARG 33 HE ARG 33 -6.668 -22.920 11.607 258 1HH1 ARG 33 HH11 ARG 33 -7.161 -19.466 11.554 259 2HH1 ARG 33 HH12 ARG 33 -7.921 -19.423 13.109 260 1HH2 ARG 33 HH21 ARG 33 -7.667 -22.867 13.654 261 2HH2 ARG 33 HH22 ARG 33 -8.208 -21.354 14.303 262 H CYS 1 HN CYS 1 -13.677 -24.604 3.375 263 HA CYS 1 HA CYS 1 -14.850 -25.590 0.858 264 1HB CYS 1 HB2 CYS 1 -16.500 -23.680 1.108 265 2HB CYS 1 HB1 CYS 1 -16.700 -25.019 2.232 266 HG CYS 1 HG CYS 1 -15.767 -22.175 2.983 267 H GLY 2 HN GLY 2 -13.439 -22.796 2.528 268 1HA GLY 2 HA2 GLY 2 -12.987 -21.416 0.014 269 2HA GLY 2 HA1 GLY 2 -12.574 -20.827 1.617 270 H GLY 3 HN GLY 3 -11.493 -22.576 -1.164 271 1HA GLY 3 HA2 GLY 3 -9.128 -23.695 -0.105 272 2HA GLY 3 HA1 GLY 3 -9.423 -23.338 -1.800 273 H ASP 4 HN ASP 4 -8.612 -21.473 -2.699 274 HA ASP 4 HA ASP 4 -7.137 -19.647 -0.940 275 1HB ASP 4 HB2 ASP 4 -6.010 -20.912 -3.439 276 2HB ASP 4 HB1 ASP 4 -5.221 -19.663 -2.481 277 H ASN 5 HN ASN 5 -9.597 -19.743 -2.849 278 HA ASN 5 HA ASN 5 -9.241 -18.082 -5.028 279 1HB ASN 5 HB2 ASN 5 -11.359 -19.249 -4.516 280 2HB ASN 5 HB1 ASN 5 -11.630 -18.149 -3.166 281 1HD2 ASN 5 HD21 ASN 5 -10.592 -17.726 -6.534 282 2HD2 ASN 5 HD22 ASN 5 -11.789 -16.545 -6.932 283 H ILE 6 HN ILE 6 -9.309 -17.353 -1.647 284 HA ILE 6 HA ILE 6 -9.505 -14.492 -2.026 285 HB ILE 6 HB ILE 6 -8.807 -15.986 0.497 286 1HG1 ILE 6 HG12 ILE 6 -11.435 -15.262 0.768 287 2HG1 ILE 6 HG11 ILE 6 -11.366 -15.708 -0.934 288 1HG2 ILE 6 HG21 ILE 6 -8.343 -13.559 0.435 289 2HG2 ILE 6 HG22 ILE 6 -9.559 -14.005 1.634 290 3HG2 ILE 6 HG23 ILE 6 -10.052 -13.271 0.108 291 1HD1 ILE 6 HD11 ILE 6 -10.069 -17.603 0.886 292 2HD1 ILE 6 HD12 ILE 6 -11.153 -17.887 -0.477 293 3HD1 ILE 6 HD13 ILE 6 -11.812 -17.434 1.094 294 H GLU 7 HN GLU 7 -7.087 -16.878 -1.059 295 HA GLU 7 HA GLU 7 -4.964 -15.180 -0.478 296 1HB GLU 7 HB2 GLU 7 -5.279 -17.844 -0.415 297 2HB GLU 7 HB1 GLU 7 -4.341 -17.713 -1.896 298 1HG GLU 7 HG2 GLU 7 -2.815 -16.188 -0.379 299 2HG GLU 7 HG1 GLU 7 -3.561 -17.136 0.908 300 H GLN 8 HN GLN 8 -6.282 -16.183 -3.534 301 HA GLN 8 HA GLN 8 -4.050 -15.292 -5.103 302 1HB GLN 8 HB2 GLN 8 -5.586 -17.068 -5.877 303 2HB GLN 8 HB1 GLN 8 -6.894 -15.894 -5.935 304 1HG GLN 8 HG2 GLN 8 -6.068 -16.233 -8.149 305 2HG GLN 8 HG1 GLN 8 -5.609 -14.614 -7.620 306 1HE2 GLN 8 HE21 GLN 8 -3.634 -14.064 -8.157 307 2HE2 GLN 8 HE22 GLN 8 -2.283 -15.128 -8.326 308 H LYS 9 HN LYS 9 -7.221 -14.031 -4.218 309 HA LYS 9 HA LYS 9 -7.159 -11.702 -5.782 310 1HB LYS 9 HB2 LYS 9 -8.704 -12.666 -3.447 311 2HB LYS 9 HB1 LYS 9 -8.673 -10.924 -3.686 312 1HG LYS 9 HG2 LYS 9 -9.670 -11.101 -5.820 313 2HG LYS 9 HG1 LYS 9 -9.421 -12.848 -5.868 314 1HD LYS 9 HD2 LYS 9 -11.584 -12.895 -5.218 315 2HD LYS 9 HD1 LYS 9 -10.885 -12.644 -3.617 316 1HE LYS 9 HE2 LYS 9 -11.651 -10.528 -3.470 317 2HE LYS 9 HE1 LYS 9 -11.371 -10.199 -5.179 318 1HZ LYS 9 HZ1 LYS 9 -13.368 -11.632 -5.617 319 2HZ LYS 9 HZ2 LYS 9 -13.689 -10.156 -4.856 320 3HZ LYS 9 HZ3 LYS 9 -13.684 -11.587 -3.955 321 H ILE 10 HN ILE 10 -5.941 -12.397 -2.546 322 HA ILE 10 HA ILE 10 -5.247 -9.706 -1.933 323 HB ILE 10 HB ILE 10 -3.756 -10.728 -0.199 324 1HG1 ILE 10 HG12 ILE 10 -5.053 -13.320 -1.049 325 2HG1 ILE 10 HG11 ILE 10 -3.388 -12.879 -1.416 326 1HG2 ILE 10 HG21 ILE 10 -6.043 -10.017 0.270 327 2HG2 ILE 10 HG22 ILE 10 -5.606 -11.437 1.220 328 3HG2 ILE 10 HG23 ILE 10 -6.636 -11.610 -0.201 329 1HD1 ILE 10 HD11 ILE 10 -4.586 -13.325 1.302 330 2HD1 ILE 10 HD12 ILE 10 -2.958 -12.713 1.018 331 3HD1 ILE 10 HD13 ILE 10 -3.397 -14.330 0.473 332 H ASP 11 HN ASP 11 -3.427 -12.461 -3.246 333 HA ASP 11 HA ASP 11 -0.875 -11.419 -3.243 334 1HB ASP 11 HB2 ASP 11 -1.712 -13.715 -4.080 335 2HB ASP 11 HB1 ASP 11 -1.951 -12.911 -5.629 336 H ASP 12 HN ASP 12 -3.570 -10.702 -5.335 337 HA ASP 12 HA ASP 12 -2.137 -9.165 -7.254 338 1HB ASP 12 HB2 ASP 12 -5.017 -9.498 -6.512 339 2HB ASP 12 HB1 ASP 12 -4.562 -8.128 -7.520 340 H ILE 13 HN ILE 13 -3.983 -8.378 -4.348 341 HA ILE 13 HA ILE 13 -3.669 -5.593 -4.443 342 HB ILE 13 HB ILE 13 -3.858 -7.264 -1.937 343 1HG1 ILE 13 HG12 ILE 13 -6.036 -6.288 -3.792 344 2HG1 ILE 13 HG11 ILE 13 -5.636 -7.959 -3.413 345 1HG2 ILE 13 HG21 ILE 13 -4.907 -5.288 -0.979 346 2HG2 ILE 13 HG22 ILE 13 -4.739 -4.439 -2.516 347 3HG2 ILE 13 HG23 ILE 13 -3.305 -4.900 -1.602 348 1HD1 ILE 13 HD11 ILE 13 -7.410 -7.717 -2.042 349 2HD1 ILE 13 HD12 ILE 13 -7.178 -5.978 -1.864 350 3HD1 ILE 13 HD13 ILE 13 -6.167 -7.100 -0.952 351 H ASP 14 HN ASP 14 -1.720 -8.131 -2.904 352 HA ASP 14 HA ASP 14 0.140 -6.628 -1.548 353 1HB ASP 14 HB2 ASP 14 -0.142 -9.262 -2.014 354 2HB ASP 14 HB1 ASP 14 1.210 -8.925 -3.090 355 H HIS 15 HN HIS 15 -0.084 -7.230 -4.995 356 HA HIS 15 HA HIS 15 2.478 -6.119 -5.621 357 1HB HIS 15 HB2 HIS 15 1.084 -7.759 -7.033 358 2HB HIS 15 HB1 HIS 15 0.159 -6.346 -7.530 359 HD1 HIS 15 HD1 HIS 15 3.855 -6.071 -7.066 360 HD2 HIS 15 HD2 HIS 15 1.120 -6.531 -10.159 361 HE1 HIS 15 HE1 HIS 15 5.155 -5.660 -9.179 362 HE2 HIS 15 HE2 HIS 15 3.460 -5.861 -11.032 363 H GLU 16 HN GLU 16 -0.743 -4.904 -5.168 364 HA GLU 16 HA GLU 16 -0.158 -2.347 -6.377 365 1HB GLU 16 HB2 GLU 16 -2.560 -2.990 -4.683 366 2HB GLU 16 HB1 GLU 16 -2.413 -1.778 -5.949 367 1HG GLU 16 HG2 GLU 16 -2.136 -4.694 -6.566 368 2HG GLU 16 HG1 GLU 16 -3.722 -3.935 -6.434 369 H ILE 17 HN ILE 17 -0.349 -3.745 -3.178 370 HA ILE 17 HA ILE 17 -0.339 -1.367 -1.670 371 HB ILE 17 HB ILE 17 0.877 -4.007 -0.847 372 1HG1 ILE 17 HG12 ILE 17 -1.924 -3.226 -0.174 373 2HG1 ILE 17 HG11 ILE 17 -1.600 -3.904 -1.763 374 1HG2 ILE 17 HG21 ILE 17 -0.313 -2.914 1.350 375 2HG2 ILE 17 HG22 ILE 17 0.291 -1.483 0.513 376 3HG2 ILE 17 HG23 ILE 17 1.401 -2.781 0.954 377 1HD1 ILE 17 HD11 ILE 17 -0.338 -5.499 0.247 378 2HD1 ILE 17 HD12 ILE 17 -1.579 -5.945 -0.924 379 3HD1 ILE 17 HD13 ILE 17 -2.043 -5.268 0.637 380 H ALA 18 HN ALA 18 2.185 -3.248 -3.188 381 HA ALA 18 HA ALA 18 4.348 -1.859 -1.894 382 1HB ALA 18 HB1 ALA 18 4.054 -4.095 -3.767 383 2HB ALA 18 HB2 ALA 18 5.204 -3.858 -2.451 384 3HB ALA 18 HB3 ALA 18 5.495 -3.109 -4.021 385 H ASP 19 HN ASP 19 2.704 -1.718 -5.015 386 HA ASP 19 HA ASP 19 4.439 -0.058 -6.403 387 1HB ASP 19 HB2 ASP 19 2.058 -1.194 -6.980 388 2HB ASP 19 HB1 ASP 19 1.548 0.478 -6.763 389 H LEU 20 HN LEU 20 1.815 0.818 -4.185 390 HA LEU 20 HA LEU 20 2.101 3.617 -4.508 391 1HB LEU 20 HB2 LEU 20 1.030 2.279 -2.043 392 2HB LEU 20 HB1 LEU 20 0.604 3.848 -2.696 393 HG LEU 20 HG LEU 20 -0.203 1.138 -3.712 394 1HD1 LEU 20 HD11 LEU 20 -2.463 2.305 -3.581 395 2HD1 LEU 20 HD12 LEU 20 -1.633 3.547 -2.645 396 3HD1 LEU 20 HD13 LEU 20 -1.678 1.885 -2.059 397 1HD2 LEU 20 HD21 LEU 20 -1.449 2.839 -5.396 398 2HD2 LEU 20 HD22 LEU 20 0.051 1.996 -5.778 399 3HD2 LEU 20 HD23 LEU 20 0.100 3.660 -5.197 400 H GLN 21 HN GLN 21 3.159 1.434 -1.899 401 HA GLN 21 HA GLN 21 4.448 3.257 -0.287 402 1HB GLN 21 HB2 GLN 21 4.074 0.729 0.047 403 2HB GLN 21 HB1 GLN 21 5.600 0.525 -0.802 404 1HG GLN 21 HG2 GLN 21 6.677 1.976 0.897 405 2HG GLN 21 HG1 GLN 21 5.150 2.004 1.778 406 1HE2 GLN 21 HE21 GLN 21 7.825 0.953 2.487 407 2HE2 GLN 21 HE22 GLN 21 7.563 -0.696 2.933 408 H ALA 22 HN ALA 22 5.507 1.907 -3.326 409 HA ALA 22 HA ALA 22 8.234 2.758 -3.078 410 1HB ALA 22 HB1 ALA 22 6.565 1.599 -5.260 411 2HB ALA 22 HB2 ALA 22 8.055 0.992 -4.537 412 3HB ALA 22 HB3 ALA 22 8.109 2.351 -5.660 413 H LYS 23 HN LYS 23 5.275 4.130 -4.337 414 HA LYS 23 HA LYS 23 6.513 6.261 -5.775 415 1HB LYS 23 HB2 LYS 23 3.688 5.932 -4.753 416 2HB LYS 23 HB1 LYS 23 4.216 7.231 -5.814 417 1HG LYS 23 HG2 LYS 23 4.601 5.759 -7.602 418 2HG LYS 23 HG1 LYS 23 4.536 4.341 -6.555 419 1HD LYS 23 HD2 LYS 23 2.175 4.644 -6.205 420 2HD LYS 23 HD1 LYS 23 2.201 6.176 -7.080 421 1HE LYS 23 HE2 LYS 23 3.225 3.820 -8.535 422 2HE LYS 23 HE1 LYS 23 1.494 3.832 -8.195 423 1HZ LYS 23 HZ1 LYS 23 1.496 6.136 -9.178 424 2HZ LYS 23 HZ2 LYS 23 1.762 4.871 -10.269 425 3HZ LYS 23 HZ3 LYS 23 3.060 5.816 -9.739 426 H ARG 24 HN ARG 24 5.391 5.818 -2.489 427 HA ARG 24 HA ARG 24 5.468 8.576 -1.761 428 1HB ARG 24 HB2 ARG 24 4.112 6.988 -0.511 429 2HB ARG 24 HB1 ARG 24 5.546 6.076 -0.063 430 1HG ARG 24 HG2 ARG 24 6.073 7.476 1.604 431 2HG ARG 24 HG1 ARG 24 5.625 8.910 0.679 432 1HD ARG 24 HD2 ARG 24 3.196 7.784 1.080 433 2HD ARG 24 HD1 ARG 24 4.037 7.285 2.548 434 HE ARG 24 HE ARG 24 3.194 9.941 1.851 435 1HH1 ARG 24 HH11 ARG 24 5.443 8.062 3.745 436 2HH1 ARG 24 HH12 ARG 24 5.705 9.317 4.910 437 1HH2 ARG 24 HH21 ARG 24 3.536 11.592 3.380 438 2HH2 ARG 24 HH22 ARG 24 4.622 11.321 4.703 439 H THR 25 HN THR 25 7.752 5.888 -1.495 440 HA THR 25 HA THR 25 9.691 7.250 0.039 441 HB THR 25 HB THR 25 10.661 5.222 -1.869 442 HG1 THR 25 HG1 THR 25 9.565 3.552 -0.747 443 1HG2 THR 25 HG21 THR 25 10.948 4.345 0.762 444 2HG2 THR 25 HG22 THR 25 11.235 6.085 0.800 445 3HG2 THR 25 HG23 THR 25 12.181 5.059 -0.277 446 H ARG 26 HN ARG 26 9.622 6.569 -3.471 447 HA ARG 26 HA ARG 26 11.915 7.891 -4.208 448 1HB ARG 26 HB2 ARG 26 10.994 8.074 -6.428 449 2HB ARG 26 HB1 ARG 26 10.491 6.541 -5.731 450 1HG ARG 26 HG2 ARG 26 8.289 7.393 -5.303 451 2HG ARG 26 HG1 ARG 26 8.775 9.011 -5.810 452 1HD ARG 26 HD2 ARG 26 7.487 7.637 -7.505 453 2HD ARG 26 HD1 ARG 26 8.994 8.357 -8.059 454 HE ARG 26 HE ARG 26 10.022 6.175 -7.857 455 1HH1 ARG 26 HH11 ARG 26 6.525 6.231 -7.758 456 2HH1 ARG 26 HH12 ARG 26 6.368 4.577 -8.233 457 1HH2 ARG 26 HH21 ARG 26 9.803 4.003 -8.480 458 2HH2 ARG 26 HH22 ARG 26 8.222 3.313 -8.642 459 H LEU 27 HN LEU 27 8.700 9.244 -3.661 460 HA LEU 27 HA LEU 27 9.304 11.880 -4.469 461 1HB LEU 27 HB2 LEU 27 7.143 10.531 -3.008 462 2HB LEU 27 HB1 LEU 27 7.399 12.196 -2.523 463 HG LEU 27 HG LEU 27 5.709 12.175 -4.208 464 1HD1 LEU 27 HD11 LEU 27 6.560 14.038 -5.050 465 2HD1 LEU 27 HD12 LEU 27 7.609 13.101 -6.114 466 3HD1 LEU 27 HD13 LEU 27 8.164 13.551 -4.503 467 1HD2 LEU 27 HD21 LEU 27 5.631 10.643 -5.808 468 2HD2 LEU 27 HD22 LEU 27 7.181 10.008 -5.255 469 3HD2 LEU 27 HD23 LEU 27 7.134 11.251 -6.503 470 H VAL 28 HN VAL 28 9.642 10.152 -1.420 471 HA VAL 28 HA VAL 28 10.316 12.370 0.192 472 HB VAL 28 HB VAL 28 11.269 9.530 0.538 473 1HG1 VAL 28 HG11 VAL 28 12.451 11.101 1.949 474 2HG1 VAL 28 HG12 VAL 28 11.352 10.128 2.929 475 3HG1 VAL 28 HG13 VAL 28 10.926 11.787 2.508 476 1HG2 VAL 28 HG21 VAL 28 9.050 10.201 2.217 477 2HG2 VAL 28 HG22 VAL 28 9.196 8.902 1.033 478 3HG2 VAL 28 HG23 VAL 28 8.620 10.492 0.531 479 H GLN 29 HN GLN 29 12.276 10.074 -1.654 480 HA GLN 29 HA GLN 29 14.813 10.926 -0.946 481 1HB GLN 29 HB2 GLN 29 13.715 9.210 -2.870 482 2HB GLN 29 HB1 GLN 29 14.667 10.366 -3.789 483 1HG GLN 29 HG2 GLN 29 16.594 9.489 -3.105 484 2HG GLN 29 HG1 GLN 29 16.052 9.370 -1.432 485 1HE2 GLN 29 HE21 GLN 29 15.560 7.431 -0.643 486 2HE2 GLN 29 HE22 GLN 29 15.432 5.978 -1.570 487 H GLN 30 HN GLN 30 12.440 12.401 -3.010 488 HA GLN 30 HA GLN 30 14.219 14.305 -4.205 489 1HB GLN 30 HB2 GLN 30 12.101 13.568 -5.275 490 2HB GLN 30 HB1 GLN 30 11.204 14.370 -3.993 491 1HG GLN 30 HG2 GLN 30 11.224 15.767 -5.937 492 2HG GLN 30 HG1 GLN 30 12.204 16.516 -4.679 493 1HE2 GLN 30 HE21 GLN 30 13.566 17.688 -5.908 494 2HE2 GLN 30 HE22 GLN 30 14.670 17.017 -7.056 495 H HIS 31 HN HIS 31 12.239 14.145 -1.326 496 HA HIS 31 HA HIS 31 13.398 16.685 -0.458 497 1HB HIS 31 HB2 HIS 31 11.286 17.565 0.333 498 2HB HIS 31 HB1 HIS 31 11.164 17.217 -1.388 499 HD1 HIS 31 HD1 HIS 31 9.903 14.891 -1.962 500 HD2 HIS 31 HD2 HIS 31 9.346 16.413 1.859 501 HE1 HIS 31 HE1 HIS 31 7.842 13.759 -1.082 502 HE2 HIS 31 HE2 HIS 31 7.648 14.550 1.301 503 HA PRO 32 HA PRO 32 13.260 13.340 2.813 504 1HB PRO 32 HB2 PRO 32 15.895 12.872 3.052 505 2HB PRO 32 HB1 PRO 32 14.918 12.078 1.812 506 1HG PRO 32 HG2 PRO 32 16.737 14.440 1.565 507 2HG PRO 32 HG1 PRO 32 16.540 13.061 0.470 508 1HD PRO 32 HD2 PRO 32 15.376 15.508 0.066 509 2HD PRO 32 HD1 PRO 32 14.716 13.986 -0.559 510 H ARG 33 HN ARG 33 15.581 15.983 2.402 511 HA ARG 33 HA ARG 33 15.551 16.451 5.296 512 1HB ARG 33 HB2 ARG 33 17.346 17.670 3.190 513 2HB ARG 33 HB1 ARG 33 17.509 17.854 4.931 514 1HG ARG 33 HG2 ARG 33 18.935 16.153 4.825 515 2HG ARG 33 HG1 ARG 33 17.518 15.126 4.602 516 1HD ARG 33 HD2 ARG 33 18.424 14.504 2.663 517 2HD ARG 33 HD1 ARG 33 18.023 16.115 2.068 518 HE ARG 33 HE ARG 33 20.247 16.669 2.151 519 1HH1 ARG 33 HH11 ARG 33 19.743 13.703 3.921 520 2HH1 ARG 33 HH12 ARG 33 21.434 13.384 4.112 521 1HH2 ARG 33 HH21 ARG 33 22.471 16.249 2.400 522 2HH2 ARG 33 HH22 ARG 33 22.983 14.829 3.249 Start of MODEL 28 1 H CYS 1 HT1 CYS 1 13.215 21.984 5.585 2 HA CYS 1 HA CYS 1 11.935 22.094 3.718 3 1HB CYS 1 HB2 CYS 1 13.365 19.573 4.277 4 2HB CYS 1 HB1 CYS 1 12.277 19.514 2.894 5 HG CYS 1 HG CYS 1 14.037 21.912 2.626 6 H GLY 2 HN GLY 2 10.579 20.321 2.238 7 1HA GLY 2 HA2 GLY 2 8.556 19.264 1.925 8 2HA GLY 2 HA1 GLY 2 8.513 18.948 3.653 9 H GLY 3 HN GLY 3 6.252 19.418 3.634 10 1HA GLY 3 HA2 GLY 3 4.393 20.771 3.776 11 2HA GLY 3 HA1 GLY 3 5.502 21.888 4.556 12 H ASP 4 HN ASP 4 5.574 20.798 1.200 13 HA ASP 4 HA ASP 4 4.966 23.553 0.367 14 1HB ASP 4 HB2 ASP 4 7.058 21.639 -0.655 15 2HB ASP 4 HB1 ASP 4 6.521 23.028 -1.599 16 H ASN 5 HN ASN 5 5.602 20.739 -1.624 17 HA ASN 5 HA ASN 5 2.783 20.481 -2.333 18 1HB ASN 5 HB2 ASN 5 4.281 22.055 -3.914 19 2HB ASN 5 HB1 ASN 5 4.694 20.494 -4.615 20 1HD2 ASN 5 HD21 ASN 5 1.729 21.961 -3.325 21 2HD2 ASN 5 HD22 ASN 5 0.754 21.613 -4.708 22 H ILE 6 HN ILE 6 6.098 19.352 -2.774 23 HA ILE 6 HA ILE 6 5.459 16.751 -3.685 24 HB ILE 6 HB ILE 6 7.922 17.269 -2.063 25 1HG1 ILE 6 HG12 ILE 6 7.340 18.368 -4.818 26 2HG1 ILE 6 HG11 ILE 6 7.897 19.246 -3.397 27 1HG2 ILE 6 HG21 ILE 6 8.931 15.744 -3.628 28 2HG2 ILE 6 HG22 ILE 6 7.460 15.725 -4.602 29 3HG2 ILE 6 HG23 ILE 6 7.447 15.047 -2.975 30 1HD1 ILE 6 HD11 ILE 6 9.434 17.439 -5.215 31 2HD1 ILE 6 HD12 ILE 6 9.998 17.780 -3.579 32 3HD1 ILE 6 HD13 ILE 6 9.783 19.098 -4.730 33 H GLU 7 HN GLU 7 6.400 18.012 -0.521 34 HA GLU 7 HA GLU 7 6.206 15.673 0.964 35 1HB GLU 7 HB2 GLU 7 7.155 17.801 1.803 36 2HB GLU 7 HB1 GLU 7 5.531 18.473 1.889 37 1HG GLU 7 HG2 GLU 7 5.348 17.685 3.945 38 2HG GLU 7 HG1 GLU 7 5.462 16.046 3.306 39 H GLN 8 HN GLN 8 3.695 17.881 -0.087 40 HA GLN 8 HA GLN 8 1.643 16.658 1.515 41 1HB GLN 8 HB2 GLN 8 1.762 19.085 0.546 42 2HB GLN 8 HB1 GLN 8 1.079 18.347 -0.896 43 1HG GLN 8 HG2 GLN 8 -0.837 18.970 0.138 44 2HG GLN 8 HG1 GLN 8 -0.641 17.370 0.855 45 1HE2 GLN 8 HE21 GLN 8 -1.882 19.978 1.760 46 2HE2 GLN 8 HE22 GLN 8 -1.221 20.232 3.337 47 H LYS 9 HN LYS 9 2.879 16.347 -1.740 48 HA LYS 9 HA LYS 9 0.772 14.877 -2.869 49 1HB LYS 9 HB2 LYS 9 3.153 15.868 -3.780 50 2HB LYS 9 HB1 LYS 9 3.472 14.139 -3.774 51 1HG LYS 9 HG2 LYS 9 1.244 13.937 -5.041 52 2HG LYS 9 HG1 LYS 9 1.423 15.669 -5.328 53 1HD LYS 9 HD2 LYS 9 2.619 15.065 -7.123 54 2HD LYS 9 HD1 LYS 9 3.907 14.711 -5.971 55 1HE LYS 9 HE2 LYS 9 1.848 12.743 -6.966 56 2HE LYS 9 HE1 LYS 9 3.518 12.848 -7.522 57 1HZ LYS 9 HZ1 LYS 9 2.455 11.802 -5.013 58 2HZ LYS 9 HZ2 LYS 9 3.946 12.596 -4.941 59 3HZ LYS 9 HZ3 LYS 9 3.753 11.253 -5.951 60 H ILE 10 HN ILE 10 3.579 13.884 -0.980 61 HA ILE 10 HA ILE 10 3.163 11.090 -1.340 62 HB ILE 10 HB ILE 10 4.629 10.861 0.693 63 1HG1 ILE 10 HG12 ILE 10 5.010 13.837 0.350 64 2HG1 ILE 10 HG11 ILE 10 4.059 13.107 1.640 65 1HG2 ILE 10 HG21 ILE 10 5.586 10.645 -1.469 66 2HG2 ILE 10 HG22 ILE 10 6.662 11.675 -0.525 67 3HG2 ILE 10 HG23 ILE 10 5.574 12.391 -1.715 68 1HD1 ILE 10 HD11 ILE 10 6.280 13.708 2.406 69 2HD1 ILE 10 HD12 ILE 10 6.997 12.681 1.164 70 3HD1 ILE 10 HD13 ILE 10 6.042 11.962 2.461 71 H ASP 11 HN ASP 11 2.265 13.392 1.219 72 HA ASP 11 HA ASP 11 1.252 11.654 3.106 73 1HB ASP 11 HB2 ASP 11 1.310 14.348 2.881 74 2HB ASP 11 HB1 ASP 11 -0.399 14.060 2.574 75 H ASP 12 HN ASP 12 -0.120 12.702 0.078 76 HA ASP 12 HA ASP 12 -2.730 11.645 0.472 77 1HB ASP 12 HB2 ASP 12 -1.626 13.246 -1.419 78 2HB ASP 12 HB1 ASP 12 -1.646 11.713 -2.287 79 H ILE 13 HN ILE 13 0.202 10.440 -1.085 80 HA ILE 13 HA ILE 13 -0.803 7.955 -1.916 81 HB ILE 13 HB ILE 13 2.035 8.537 -1.061 82 1HG1 ILE 13 HG12 ILE 13 0.673 8.994 -3.723 83 2HG1 ILE 13 HG11 ILE 13 1.340 10.225 -2.656 84 1HG2 ILE 13 HG21 ILE 13 2.600 6.540 -1.890 85 2HG2 ILE 13 HG22 ILE 13 1.586 6.751 -3.319 86 3HG2 ILE 13 HG23 ILE 13 0.879 6.160 -1.815 87 1HD1 ILE 13 HD11 ILE 13 3.042 8.071 -3.857 88 2HD1 ILE 13 HD12 ILE 13 3.544 9.600 -3.136 89 3HD1 ILE 13 HD13 ILE 13 2.707 9.589 -4.689 90 H ASP 14 HN ASP 14 0.887 8.922 1.064 91 HA ASP 14 HA ASP 14 1.127 6.504 2.340 92 1HB ASP 14 HB2 ASP 14 1.610 9.052 3.067 93 2HB ASP 14 HB1 ASP 14 0.168 8.745 4.029 94 H HIS 15 HN HIS 15 -1.762 8.425 1.872 95 HA HIS 15 HA HIS 15 -3.370 6.909 3.702 96 1HB HIS 15 HB2 HIS 15 -3.792 9.309 2.948 97 2HB HIS 15 HB1 HIS 15 -4.372 8.627 1.432 98 HD1 HIS 15 HD1 HIS 15 -5.265 6.565 4.307 99 HD2 HIS 15 HD2 HIS 15 -6.885 9.822 2.300 100 HE1 HIS 15 HE1 HIS 15 -7.670 6.674 5.034 101 HE2 HIS 15 HE2 HIS 15 -8.607 8.704 3.873 102 H GLU 16 HN GLU 16 -2.498 6.714 0.342 103 HA GLU 16 HA GLU 16 -4.554 4.784 -0.281 104 1HB GLU 16 HB2 GLU 16 -2.178 5.457 -2.001 105 2HB GLU 16 HB1 GLU 16 -3.750 4.849 -2.506 106 1HG GLU 16 HG2 GLU 16 -4.787 6.921 -2.156 107 2HG GLU 16 HG1 GLU 16 -3.435 7.530 -1.201 108 H ILE 17 HN ILE 17 -1.141 4.815 0.480 109 HA ILE 17 HA ILE 17 -0.512 2.173 -0.256 110 HB ILE 17 HB ILE 17 0.753 3.740 1.995 111 1HG1 ILE 17 HG12 ILE 17 1.836 3.730 -0.789 112 2HG1 ILE 17 HG11 ILE 17 0.520 4.827 -0.400 113 1HG2 ILE 17 HG21 ILE 17 2.730 2.345 0.748 114 2HG2 ILE 17 HG22 ILE 17 1.366 1.237 0.602 115 3HG2 ILE 17 HG23 ILE 17 1.873 1.806 2.192 116 1HD1 ILE 17 HD11 ILE 17 2.562 4.977 1.605 117 2HD1 ILE 17 HD12 ILE 17 1.922 6.240 0.556 118 3HD1 ILE 17 HD13 ILE 17 3.250 5.222 0.000 119 H ALA 18 HN ALA 18 -1.894 3.587 2.637 120 HA ALA 18 HA ALA 18 -1.724 1.183 4.200 121 1HB ALA 18 HB1 ALA 18 -1.778 2.869 5.687 122 2HB ALA 18 HB2 ALA 18 -3.526 2.707 5.525 123 3HB ALA 18 HB3 ALA 18 -2.665 3.938 4.600 124 H ASP 19 HN ASP 19 -4.186 2.797 2.261 125 HA ASP 19 HA ASP 19 -6.438 1.381 3.055 126 1HB ASP 19 HB2 ASP 19 -5.981 3.315 1.226 127 2HB ASP 19 HB1 ASP 19 -6.193 1.934 0.154 128 H LEU 20 HN LEU 20 -4.075 0.571 0.532 129 HA LEU 20 HA LEU 20 -5.321 -1.823 -0.293 130 1HB LEU 20 HB2 LEU 20 -2.363 -1.340 -0.431 131 2HB LEU 20 HB1 LEU 20 -3.367 -2.270 -1.526 132 HG LEU 20 HG LEU 20 -3.161 0.720 -1.294 133 1HD1 LEU 20 HD11 LEU 20 -1.494 -0.211 -2.698 134 2HD1 LEU 20 HD12 LEU 20 -2.735 0.460 -3.755 135 3HD1 LEU 20 HD13 LEU 20 -2.656 -1.280 -3.482 136 1HD2 LEU 20 HD21 LEU 20 -5.390 0.720 -1.662 137 2HD2 LEU 20 HD22 LEU 20 -5.399 -0.934 -2.274 138 3HD2 LEU 20 HD23 LEU 20 -4.891 0.391 -3.321 139 H GLN 21 HN GLN 21 -2.563 -1.269 1.891 140 HA GLN 21 HA GLN 21 -1.986 -3.870 2.575 141 1HB GLN 21 HB2 GLN 21 -1.048 -1.473 3.367 142 2HB GLN 21 HB1 GLN 21 -1.954 -1.919 4.805 143 1HG GLN 21 HG2 GLN 21 -0.098 -3.914 3.620 144 2HG GLN 21 HG1 GLN 21 0.576 -2.557 4.522 145 1HE2 GLN 21 HE21 GLN 21 -0.047 -2.292 6.725 146 2HE2 GLN 21 HE22 GLN 21 -0.558 -3.653 7.659 147 H ALA 22 HN ALA 22 -4.628 -1.865 3.697 148 HA ALA 22 HA ALA 22 -5.420 -3.596 5.829 149 1HB ALA 22 HB1 ALA 22 -6.978 -2.031 6.305 150 2HB ALA 22 HB2 ALA 22 -7.452 -1.835 4.618 151 3HB ALA 22 HB3 ALA 22 -6.000 -1.039 5.223 152 H LYS 23 HN LYS 23 -6.138 -3.364 2.421 153 HA LYS 23 HA LYS 23 -8.449 -5.021 2.444 154 1HB LYS 23 HB2 LYS 23 -6.533 -4.236 0.249 155 2HB LYS 23 HB1 LYS 23 -7.956 -5.229 -0.032 156 1HG LYS 23 HG2 LYS 23 -9.361 -3.484 0.101 157 2HG LYS 23 HG1 LYS 23 -8.455 -2.719 1.409 158 1HD LYS 23 HD2 LYS 23 -7.262 -1.445 -0.006 159 2HD LYS 23 HD1 LYS 23 -7.049 -2.762 -1.161 160 1HE LYS 23 HE2 LYS 23 -8.329 -1.133 -2.282 161 2HE LYS 23 HE1 LYS 23 -9.469 -2.395 -1.814 162 1HZ LYS 23 HZ1 LYS 23 -9.047 0.203 -0.439 163 2HZ LYS 23 HZ2 LYS 23 -10.066 -1.025 0.124 164 3HZ LYS 23 HZ3 LYS 23 -10.405 -0.253 -1.342 165 H ARG 24 HN ARG 24 -5.009 -5.637 2.263 166 HA ARG 24 HA ARG 24 -5.238 -8.347 1.385 167 1HB ARG 24 HB2 ARG 24 -3.111 -6.504 2.117 168 2HB ARG 24 HB1 ARG 24 -2.807 -8.126 2.724 169 1HG ARG 24 HG2 ARG 24 -3.447 -8.824 0.281 170 2HG ARG 24 HG1 ARG 24 -3.007 -7.153 -0.077 171 1HD ARG 24 HD2 ARG 24 -0.869 -7.734 -0.082 172 2HD ARG 24 HD1 ARG 24 -1.003 -8.195 1.614 173 HE ARG 24 HE ARG 24 -1.870 -10.181 -0.312 174 1HH1 ARG 24 HH11 ARG 24 0.731 -8.998 1.699 175 2HH1 ARG 24 HH12 ARG 24 1.577 -10.509 1.702 176 1HH2 ARG 24 HH21 ARG 24 -0.754 -12.163 -0.307 177 2HH2 ARG 24 HH22 ARG 24 0.737 -12.303 0.564 178 H THR 25 HN THR 25 -4.655 -6.838 4.554 179 HA THR 25 HA THR 25 -4.433 -9.197 6.041 180 HB THR 25 HB THR 25 -5.723 -6.869 7.335 181 HG1 THR 25 HG1 THR 25 -4.165 -5.489 6.927 182 1HG2 THR 25 HG21 THR 25 -3.613 -7.183 8.793 183 2HG2 THR 25 HG22 THR 25 -3.486 -8.734 7.964 184 3HG2 THR 25 HG23 THR 25 -4.929 -8.351 8.902 185 H ARG 26 HN ARG 26 -7.266 -7.075 5.631 186 HA ARG 26 HA ARG 26 -9.114 -8.512 7.079 187 1HB ARG 26 HB2 ARG 26 -10.821 -7.557 5.470 188 2HB ARG 26 HB1 ARG 26 -9.752 -6.390 6.235 189 1HG ARG 26 HG2 ARG 26 -9.466 -5.598 4.171 190 2HG ARG 26 HG1 ARG 26 -8.380 -6.972 3.959 191 1HD ARG 26 HD2 ARG 26 -9.722 -7.879 2.436 192 2HD ARG 26 HD1 ARG 26 -11.111 -7.766 3.514 193 HE ARG 26 HE ARG 26 -10.581 -6.115 1.293 194 1HH1 ARG 26 HH11 ARG 26 -11.750 -5.937 4.576 195 2HH1 ARG 26 HH12 ARG 26 -12.723 -4.534 4.287 196 1HH2 ARG 26 HH21 ARG 26 -11.861 -4.271 0.910 197 2HH2 ARG 26 HH22 ARG 26 -12.786 -3.588 2.205 198 H LEU 27 HN LEU 27 -8.162 -8.951 3.702 199 HA LEU 27 HA LEU 27 -9.958 -11.041 3.117 200 1HB LEU 27 HB2 LEU 27 -7.477 -9.957 1.909 201 2HB LEU 27 HB1 LEU 27 -7.915 -11.595 1.459 202 HG LEU 27 HG LEU 27 -10.151 -9.717 1.284 203 1HD1 LEU 27 HD11 LEU 27 -8.899 -9.078 -1.061 204 2HD1 LEU 27 HD12 LEU 27 -7.578 -9.000 0.106 205 3HD1 LEU 27 HD13 LEU 27 -9.028 -8.027 0.350 206 1HD2 LEU 27 HD21 LEU 27 -10.542 -11.772 0.311 207 2HD2 LEU 27 HD22 LEU 27 -8.915 -11.884 -0.358 208 3HD2 LEU 27 HD23 LEU 27 -10.092 -10.790 -1.083 209 H VAL 28 HN VAL 28 -6.730 -10.983 4.535 210 HA VAL 28 HA VAL 28 -6.246 -13.762 4.472 211 HB VAL 28 HB VAL 28 -5.274 -11.822 6.565 212 1HG1 VAL 28 HG11 VAL 28 -3.575 -14.046 5.661 213 2HG1 VAL 28 HG12 VAL 28 -5.016 -14.512 6.564 214 3HG1 VAL 28 HG13 VAL 28 -3.844 -13.408 7.283 215 1HG2 VAL 28 HG21 VAL 28 -4.023 -10.818 5.027 216 2HG2 VAL 28 HG22 VAL 28 -4.786 -11.801 3.778 217 3HG2 VAL 28 HG23 VAL 28 -3.313 -12.365 4.566 218 H GLN 29 HN GLN 29 -7.763 -11.663 6.878 219 HA GLN 29 HA GLN 29 -8.173 -13.484 8.923 220 1HB GLN 29 HB2 GLN 29 -9.415 -10.962 8.056 221 2HB GLN 29 HB1 GLN 29 -10.486 -12.005 8.982 222 1HG GLN 29 HG2 GLN 29 -9.336 -10.419 10.416 223 2HG GLN 29 HG1 GLN 29 -8.875 -12.077 10.799 224 1HE2 GLN 29 HE21 GLN 29 -7.488 -9.540 11.301 225 2HE2 GLN 29 HE22 GLN 29 -5.934 -9.703 10.565 226 H GLN 30 HN GLN 30 -9.826 -13.079 5.879 227 HA GLN 30 HA GLN 30 -12.037 -14.777 6.457 228 1HB GLN 30 HB2 GLN 30 -10.854 -14.107 3.756 229 2HB GLN 30 HB1 GLN 30 -12.472 -14.718 4.069 230 1HG GLN 30 HG2 GLN 30 -12.302 -12.430 5.619 231 2HG GLN 30 HG1 GLN 30 -11.469 -12.007 4.124 232 1HE2 GLN 30 HE21 GLN 30 -14.472 -13.281 5.439 233 2HE2 GLN 30 HE22 GLN 30 -15.478 -12.769 4.130 234 H HIS 31 HN HIS 31 -8.776 -15.274 5.270 235 HA HIS 31 HA HIS 31 -9.228 -18.166 5.472 236 1HB HIS 31 HB2 HIS 31 -7.963 -18.613 3.442 237 2HB HIS 31 HB1 HIS 31 -9.347 -17.589 3.078 238 HD1 HIS 31 HD1 HIS 31 -8.568 -14.864 3.216 239 HD2 HIS 31 HD2 HIS 31 -5.753 -17.730 2.176 240 HE1 HIS 31 HE1 HIS 31 -6.763 -13.622 1.993 241 HE2 HIS 31 HE2 HIS 31 -4.972 -15.342 1.585 242 HA PRO 32 HA PRO 32 -5.406 -16.773 7.722 243 1HB PRO 32 HB2 PRO 32 -5.977 -17.973 10.073 244 2HB PRO 32 HB1 PRO 32 -6.596 -16.371 9.654 245 1HG PRO 32 HG2 PRO 32 -7.965 -19.029 9.505 246 2HG PRO 32 HG1 PRO 32 -8.593 -17.479 10.094 247 1HD PRO 32 HD2 PRO 32 -9.141 -18.456 7.615 248 2HD PRO 32 HD1 PRO 32 -9.056 -16.720 7.974 249 H ARG 33 HN ARG 33 -7.055 -19.883 7.563 250 HA ARG 33 HA ARG 33 -4.813 -21.278 6.627 251 1HB ARG 33 HB2 ARG 33 -4.317 -22.692 8.595 252 2HB ARG 33 HB1 ARG 33 -3.902 -21.004 8.855 253 1HG ARG 33 HG2 ARG 33 -6.604 -21.774 9.715 254 2HG ARG 33 HG1 ARG 33 -5.278 -22.523 10.608 255 1HD ARG 33 HD2 ARG 33 -4.573 -19.827 10.325 256 2HD ARG 33 HD1 ARG 33 -6.288 -19.828 10.739 257 HE ARG 33 HE ARG 33 -5.748 -20.570 12.838 258 1HH1 ARG 33 HH11 ARG 33 -2.984 -20.978 10.747 259 2HH1 ARG 33 HH12 ARG 33 -1.912 -21.403 12.039 260 1HH2 ARG 33 HH21 ARG 33 -4.339 -21.129 14.538 261 2HH2 ARG 33 HH22 ARG 33 -2.680 -21.489 14.191 262 H CYS 1 HN CYS 1 -14.786 -25.748 0.159 263 HA CYS 1 HA CYS 1 -15.825 -24.269 -1.399 264 1HB CYS 1 HB2 CYS 1 -17.978 -24.632 0.178 265 2HB CYS 1 HB1 CYS 1 -17.526 -23.004 0.674 266 HG CYS 1 HG CYS 1 -18.107 -22.121 -1.611 267 H GLY 2 HN GLY 2 -14.192 -22.903 -1.714 268 1HA GLY 2 HA2 GLY 2 -13.784 -20.446 -0.958 269 2HA GLY 2 HA1 GLY 2 -13.269 -21.239 0.523 270 H GLY 3 HN GLY 3 -11.580 -23.010 0.165 271 1HA GLY 3 HA2 GLY 3 -9.457 -23.571 -0.503 272 2HA GLY 3 HA1 GLY 3 -9.928 -23.021 -2.105 273 H ASP 4 HN ASP 4 -7.816 -22.190 -2.423 274 HA ASP 4 HA ASP 4 -6.981 -19.972 -0.720 275 1HB ASP 4 HB2 ASP 4 -5.597 -21.282 -3.062 276 2HB ASP 4 HB1 ASP 4 -4.900 -20.035 -2.032 277 H ASN 5 HN ASN 5 -9.205 -20.045 -2.904 278 HA ASN 5 HA ASN 5 -8.555 -18.399 -5.031 279 1HB ASN 5 HB2 ASN 5 -10.808 -19.600 -4.370 280 2HB ASN 5 HB1 ASN 5 -11.190 -18.038 -3.652 281 1HD2 ASN 5 HD21 ASN 5 -9.557 -19.064 -6.632 282 2HD2 ASN 5 HD22 ASN 5 -10.539 -18.119 -7.696 283 H ILE 6 HN ILE 6 -9.071 -17.663 -1.688 284 HA ILE 6 HA ILE 6 -9.258 -14.817 -2.030 285 HB ILE 6 HB ILE 6 -8.589 -16.306 0.503 286 1HG1 ILE 6 HG12 ILE 6 -11.300 -15.692 0.584 287 2HG1 ILE 6 HG11 ILE 6 -11.057 -16.294 -1.053 288 1HG2 ILE 6 HG21 ILE 6 -9.509 -14.390 1.621 289 2HG2 ILE 6 HG22 ILE 6 -10.002 -13.680 0.084 290 3HG2 ILE 6 HG23 ILE 6 -8.289 -13.850 0.467 291 1HD1 ILE 6 HD11 ILE 6 -11.150 -18.353 -0.265 292 2HD1 ILE 6 HD12 ILE 6 -11.264 -17.746 1.387 293 3HD1 ILE 6 HD13 ILE 6 -9.683 -18.045 0.665 294 H GLU 7 HN GLU 7 -6.807 -17.126 -0.959 295 HA GLU 7 HA GLU 7 -4.765 -15.359 -0.296 296 1HB GLU 7 HB2 GLU 7 -5.016 -18.047 -0.268 297 2HB GLU 7 HB1 GLU 7 -3.963 -17.859 -1.663 298 1HG GLU 7 HG2 GLU 7 -2.674 -16.270 0.044 299 2HG GLU 7 HG1 GLU 7 -3.432 -17.364 1.199 300 H GLN 8 HN GLN 8 -5.930 -16.399 -3.401 301 HA GLN 8 HA GLN 8 -3.650 -15.447 -4.871 302 1HB GLN 8 HB2 GLN 8 -5.149 -17.292 -5.660 303 2HB GLN 8 HB1 GLN 8 -6.420 -16.100 -5.889 304 1HG GLN 8 HG2 GLN 8 -5.657 -15.981 -7.978 305 2HG GLN 8 HG1 GLN 8 -4.373 -14.986 -7.292 306 1HE2 GLN 8 HE21 GLN 8 -2.353 -15.960 -6.840 307 2HE2 GLN 8 HE22 GLN 8 -1.856 -17.398 -7.661 308 H LYS 9 HN LYS 9 -6.891 -14.290 -4.114 309 HA LYS 9 HA LYS 9 -6.855 -11.976 -5.704 310 1HB LYS 9 HB2 LYS 9 -8.827 -13.081 -4.461 311 2HB LYS 9 HB1 LYS 9 -8.290 -12.157 -3.066 312 1HG LYS 9 HG2 LYS 9 -8.600 -10.595 -5.529 313 2HG LYS 9 HG1 LYS 9 -10.090 -11.289 -4.888 314 1HD LYS 9 HD2 LYS 9 -8.921 -10.308 -2.629 315 2HD LYS 9 HD1 LYS 9 -8.405 -9.129 -3.837 316 1HE LYS 9 HE2 LYS 9 -11.236 -9.905 -3.985 317 2HE LYS 9 HE1 LYS 9 -10.775 -9.048 -2.513 318 1HZ LYS 9 HZ1 LYS 9 -10.132 -8.063 -5.235 319 2HZ LYS 9 HZ2 LYS 9 -10.002 -7.219 -3.776 320 3HZ LYS 9 HZ3 LYS 9 -11.528 -7.610 -4.392 321 H ILE 10 HN ILE 10 -5.736 -12.601 -2.419 322 HA ILE 10 HA ILE 10 -5.152 -9.888 -1.799 323 HB ILE 10 HB ILE 10 -3.673 -10.857 -0.020 324 1HG1 ILE 10 HG12 ILE 10 -4.867 -13.491 -0.894 325 2HG1 ILE 10 HG11 ILE 10 -3.210 -12.997 -1.230 326 1HG2 ILE 10 HG21 ILE 10 -5.549 -11.654 1.338 327 2HG2 ILE 10 HG22 ILE 10 -6.531 -11.801 -0.120 328 3HG2 ILE 10 HG23 ILE 10 -5.974 -10.214 0.413 329 1HD1 ILE 10 HD11 ILE 10 -3.265 -14.466 0.672 330 2HD1 ILE 10 HD12 ILE 10 -4.433 -13.422 1.482 331 3HD1 ILE 10 HD13 ILE 10 -2.793 -12.846 1.185 332 H ASP 11 HN ASP 11 -3.203 -12.579 -3.053 333 HA ASP 11 HA ASP 11 -0.690 -11.445 -2.992 334 1HB ASP 11 HB2 ASP 11 -1.545 -13.771 -3.900 335 2HB ASP 11 HB1 ASP 11 -1.538 -12.934 -5.450 336 H ASP 12 HN ASP 12 -3.364 -10.840 -5.145 337 HA ASP 12 HA ASP 12 -1.956 -9.273 -7.054 338 1HB ASP 12 HB2 ASP 12 -4.368 -10.328 -7.143 339 2HB ASP 12 HB1 ASP 12 -4.850 -8.793 -6.426 340 H ILE 13 HN ILE 13 -3.850 -8.523 -4.171 341 HA ILE 13 HA ILE 13 -3.610 -5.728 -4.268 342 HB ILE 13 HB ILE 13 -3.787 -7.432 -1.780 343 1HG1 ILE 13 HG12 ILE 13 -5.977 -6.373 -3.577 344 2HG1 ILE 13 HG11 ILE 13 -5.554 -8.064 -3.325 345 1HG2 ILE 13 HG21 ILE 13 -4.077 -5.551 -0.613 346 2HG2 ILE 13 HG22 ILE 13 -5.187 -4.884 -1.808 347 3HG2 ILE 13 HG23 ILE 13 -3.446 -4.709 -2.028 348 1HD1 ILE 13 HD11 ILE 13 -6.896 -8.190 -1.577 349 2HD1 ILE 13 HD12 ILE 13 -7.449 -6.555 -1.944 350 3HD1 ILE 13 HD13 ILE 13 -6.118 -6.803 -0.814 351 H ASP 14 HN ASP 14 -1.615 -8.208 -2.683 352 HA ASP 14 HA ASP 14 0.198 -6.641 -1.337 353 1HB ASP 14 HB2 ASP 14 -0.003 -9.269 -1.692 354 2HB ASP 14 HB1 ASP 14 1.273 -8.964 -2.867 355 H HIS 15 HN HIS 15 -0.020 -7.252 -4.775 356 HA HIS 15 HA HIS 15 2.527 -6.101 -5.410 357 1HB HIS 15 HB2 HIS 15 1.169 -7.783 -6.809 358 2HB HIS 15 HB1 HIS 15 0.216 -6.394 -7.321 359 HD1 HIS 15 HD1 HIS 15 3.614 -5.312 -6.924 360 HD2 HIS 15 HD2 HIS 15 1.477 -7.313 -9.873 361 HE1 HIS 15 HE1 HIS 15 4.983 -5.079 -9.020 362 HE2 HIS 15 HE2 HIS 15 3.628 -6.225 -10.809 363 H GLU 16 HN GLU 16 -0.724 -4.954 -4.976 364 HA GLU 16 HA GLU 16 -0.183 -2.387 -6.195 365 1HB GLU 16 HB2 GLU 16 -2.593 -3.073 -4.528 366 2HB GLU 16 HB1 GLU 16 -2.456 -1.871 -5.805 367 1HG GLU 16 HG2 GLU 16 -2.462 -3.508 -7.490 368 2HG GLU 16 HG1 GLU 16 -2.157 -4.808 -6.338 369 H ILE 17 HN ILE 17 -0.396 -3.775 -2.990 370 HA ILE 17 HA ILE 17 -0.455 -1.388 -1.498 371 HB ILE 17 HB ILE 17 0.797 -3.994 -0.628 372 1HG1 ILE 17 HG12 ILE 17 -2.042 -3.284 -0.030 373 2HG1 ILE 17 HG11 ILE 17 -1.661 -3.966 -1.605 374 1HG2 ILE 17 HG21 ILE 17 -0.463 -2.925 1.534 375 2HG2 ILE 17 HG22 ILE 17 0.094 -1.476 0.696 376 3HG2 ILE 17 HG23 ILE 17 1.249 -2.723 1.164 377 1HD1 ILE 17 HD11 ILE 17 -2.140 -5.331 0.778 378 2HD1 ILE 17 HD12 ILE 17 -0.411 -5.500 0.471 379 3HD1 ILE 17 HD13 ILE 17 -1.578 -6.002 -0.752 380 H ALA 18 HN ALA 18 2.132 -3.251 -2.937 381 HA ALA 18 HA ALA 18 4.237 -1.786 -1.626 382 1HB ALA 18 HB1 ALA 18 5.486 -3.067 -3.654 383 2HB ALA 18 HB2 ALA 18 4.045 -4.067 -3.472 384 3HB ALA 18 HB3 ALA 18 5.117 -3.805 -2.096 385 H ASP 19 HN ASP 19 2.631 -1.751 -4.761 386 HA ASP 19 HA ASP 19 4.357 -0.120 -6.192 387 1HB ASP 19 HB2 ASP 19 1.446 -0.706 -6.308 388 2HB ASP 19 HB1 ASP 19 2.011 0.709 -7.190 389 H LEU 20 HN LEU 20 1.739 0.794 -3.986 390 HA LEU 20 HA LEU 20 2.031 3.591 -4.364 391 1HB LEU 20 HB2 LEU 20 0.937 2.316 -1.879 392 2HB LEU 20 HB1 LEU 20 0.508 3.860 -2.588 393 HG LEU 20 HG LEU 20 -0.308 1.109 -3.461 394 1HD1 LEU 20 HD11 LEU 20 -1.685 3.615 -2.582 395 2HD1 LEU 20 HD12 LEU 20 -1.849 1.974 -1.959 396 3HD1 LEU 20 HD13 LEU 20 -2.538 2.394 -3.528 397 1HD2 LEU 20 HD21 LEU 20 -0.049 1.751 -5.592 398 2HD2 LEU 20 HD22 LEU 20 0.172 3.445 -5.154 399 3HD2 LEU 20 HD23 LEU 20 -1.454 2.778 -5.299 400 H GLN 21 HN GLN 21 3.107 1.402 -1.772 401 HA GLN 21 HA GLN 21 4.381 3.233 -0.145 402 1HB GLN 21 HB2 GLN 21 4.069 0.556 -0.075 403 2HB GLN 21 HB1 GLN 21 5.768 0.642 -0.519 404 1HG GLN 21 HG2 GLN 21 6.398 1.488 1.486 405 2HG GLN 21 HG1 GLN 21 4.876 2.345 1.727 406 1HE2 GLN 21 HE21 GLN 21 3.854 1.619 3.437 407 2HE2 GLN 21 HE22 GLN 21 3.746 -0.029 3.945 408 H ALA 22 HN ALA 22 5.461 1.838 -3.163 409 HA ALA 22 HA ALA 22 8.174 2.716 -2.933 410 1HB ALA 22 HB1 ALA 22 7.928 2.336 -5.563 411 2HB ALA 22 HB2 ALA 22 6.508 1.441 -5.023 412 3HB ALA 22 HB3 ALA 22 8.107 1.004 -4.421 413 H LYS 23 HN LYS 23 5.203 4.069 -4.175 414 HA LYS 23 HA LYS 23 6.383 6.185 -5.664 415 1HB LYS 23 HB2 LYS 23 3.626 5.670 -4.586 416 2HB LYS 23 HB1 LYS 23 4.023 7.200 -5.354 417 1HG LYS 23 HG2 LYS 23 4.348 6.223 -7.431 418 2HG LYS 23 HG1 LYS 23 4.585 4.614 -6.745 419 1HD LYS 23 HD2 LYS 23 2.200 4.606 -6.064 420 2HD LYS 23 HD1 LYS 23 1.995 6.156 -6.882 421 1HE LYS 23 HE2 LYS 23 3.236 4.056 -8.514 422 2HE LYS 23 HE1 LYS 23 1.574 3.726 -8.027 423 1HZ LYS 23 HZ1 LYS 23 2.235 6.366 -9.129 424 2HZ LYS 23 HZ2 LYS 23 0.780 5.505 -9.200 425 3HZ LYS 23 HZ3 LYS 23 2.077 5.057 -10.189 426 H ARG 24 HN ARG 24 5.450 5.779 -2.314 427 HA ARG 24 HA ARG 24 5.590 8.544 -1.621 428 1HB ARG 24 HB2 ARG 24 5.095 6.018 -0.269 429 2HB ARG 24 HB1 ARG 24 6.083 7.096 0.707 430 1HG ARG 24 HG2 ARG 24 4.255 8.857 0.044 431 2HG ARG 24 HG1 ARG 24 3.278 7.411 -0.221 432 1HD ARG 24 HD2 ARG 24 2.918 7.240 1.959 433 2HD ARG 24 HD1 ARG 24 4.652 7.110 2.244 434 HE ARG 24 HE ARG 24 3.579 9.791 1.910 435 1HH1 ARG 24 HH11 ARG 24 4.628 7.293 4.118 436 2HH1 ARG 24 HH12 ARG 24 4.866 8.391 5.435 437 1HH2 ARG 24 HH21 ARG 24 3.891 11.228 3.644 438 2HH2 ARG 24 HH22 ARG 24 4.447 10.621 5.168 439 H THR 25 HN THR 25 7.838 5.814 -1.313 440 HA THR 25 HA THR 25 9.888 7.177 0.024 441 HB THR 25 HB THR 25 10.692 5.095 -1.910 442 HG1 THR 25 HG1 THR 25 8.903 4.536 0.218 443 1HG2 THR 25 HG21 THR 25 11.335 5.890 0.832 444 2HG2 THR 25 HG22 THR 25 12.355 5.185 -0.423 445 3HG2 THR 25 HG23 THR 25 11.302 4.150 0.544 446 H ARG 26 HN ARG 26 9.560 6.458 -3.454 447 HA ARG 26 HA ARG 26 11.830 7.721 -4.374 448 1HB ARG 26 HB2 ARG 26 10.686 7.951 -6.524 449 2HB ARG 26 HB1 ARG 26 10.367 6.377 -5.807 450 1HG ARG 26 HG2 ARG 26 8.184 7.198 -5.030 451 2HG ARG 26 HG1 ARG 26 8.504 8.743 -5.819 452 1HD ARG 26 HD2 ARG 26 8.100 6.045 -7.080 453 2HD ARG 26 HD1 ARG 26 7.163 7.518 -7.324 454 HE ARG 26 HE ARG 26 9.627 6.789 -8.621 455 1HH1 ARG 26 HH11 ARG 26 7.530 9.431 -7.722 456 2HH1 ARG 26 HH12 ARG 26 8.124 10.487 -8.958 457 1HH2 ARG 26 HH21 ARG 26 10.409 8.177 -10.248 458 2HH2 ARG 26 HH22 ARG 26 9.758 9.777 -10.392 459 H LEU 27 HN LEU 27 8.644 9.123 -3.740 460 HA LEU 27 HA LEU 27 9.242 11.735 -4.602 461 1HB LEU 27 HB2 LEU 27 7.145 10.445 -2.979 462 2HB LEU 27 HB1 LEU 27 7.407 12.144 -2.635 463 HG LEU 27 HG LEU 27 5.605 11.693 -4.303 464 1HD1 LEU 27 HD11 LEU 27 7.934 13.458 -4.733 465 2HD1 LEU 27 HD12 LEU 27 6.229 13.854 -4.524 466 3HD1 LEU 27 HD13 LEU 27 6.815 13.274 -6.083 467 1HD2 LEU 27 HD21 LEU 27 7.942 10.655 -5.881 468 2HD2 LEU 27 HD22 LEU 27 6.454 11.211 -6.645 469 3HD2 LEU 27 HD23 LEU 27 6.415 9.849 -5.525 470 H VAL 28 HN VAL 28 9.730 10.056 -1.547 471 HA VAL 28 HA VAL 28 10.448 12.313 -0.003 472 HB VAL 28 HB VAL 28 11.442 9.489 0.362 473 1HG1 VAL 28 HG11 VAL 28 12.249 10.099 2.373 474 2HG1 VAL 28 HG12 VAL 28 10.918 11.214 2.685 475 3HG1 VAL 28 HG13 VAL 28 12.266 11.713 1.663 476 1HG2 VAL 28 HG21 VAL 28 9.298 10.143 2.124 477 2HG2 VAL 28 HG22 VAL 28 9.386 8.858 0.921 478 3HG2 VAL 28 HG23 VAL 28 8.783 10.451 0.467 479 H GLN 29 HN GLN 29 12.351 9.992 -1.883 480 HA GLN 29 HA GLN 29 14.906 10.876 -1.299 481 1HB GLN 29 HB2 GLN 29 13.631 9.438 -3.533 482 2HB GLN 29 HB1 GLN 29 15.127 10.261 -3.952 483 1HG GLN 29 HG2 GLN 29 15.648 8.022 -3.338 484 2HG GLN 29 HG1 GLN 29 16.233 9.092 -2.064 485 1HE2 GLN 29 HE21 GLN 29 15.608 6.262 -1.933 486 2HE2 GLN 29 HE22 GLN 29 14.390 6.087 -0.721 487 H GLN 30 HN GLN 30 12.442 12.295 -3.298 488 HA GLN 30 HA GLN 30 14.155 14.193 -4.592 489 1HB GLN 30 HB2 GLN 30 11.165 14.405 -4.250 490 2HB GLN 30 HB1 GLN 30 12.159 15.128 -5.507 491 1HG GLN 30 HG2 GLN 30 12.729 12.583 -5.987 492 2HG GLN 30 HG1 GLN 30 11.148 12.359 -5.238 493 1HE2 GLN 30 HE21 GLN 30 12.712 14.470 -7.628 494 2HE2 GLN 30 HE22 GLN 30 11.405 14.447 -8.757 495 H HIS 31 HN HIS 31 12.288 14.075 -1.636 496 HA HIS 31 HA HIS 31 13.483 16.621 -0.846 497 1HB HIS 31 HB2 HIS 31 11.396 17.522 0.005 498 2HB HIS 31 HB1 HIS 31 11.236 17.175 -1.712 499 HD1 HIS 31 HD1 HIS 31 9.915 14.897 -2.281 500 HD2 HIS 31 HD2 HIS 31 9.505 16.349 1.586 501 HE1 HIS 31 HE1 HIS 31 7.864 13.782 -1.358 502 HE2 HIS 31 HE2 HIS 31 7.761 14.524 1.045 503 HA PRO 32 HA PRO 32 13.416 13.342 2.488 504 1HB PRO 32 HB2 PRO 32 16.047 12.845 2.654 505 2HB PRO 32 HB1 PRO 32 15.027 12.048 1.449 506 1HG PRO 32 HG2 PRO 32 16.867 14.385 1.126 507 2HG PRO 32 HG1 PRO 32 16.622 12.997 0.052 508 1HD PRO 32 HD2 PRO 32 15.475 15.459 -0.338 509 2HD PRO 32 HD1 PRO 32 14.788 13.938 -0.941 510 H ARG 33 HN ARG 33 15.853 15.874 1.987 511 HA ARG 33 HA ARG 33 15.522 16.643 4.813 512 1HB ARG 33 HB2 ARG 33 18.036 17.111 3.222 513 2HB ARG 33 HB1 ARG 33 17.816 17.213 4.964 514 1HG ARG 33 HG2 ARG 33 18.735 15.180 4.991 515 2HG ARG 33 HG1 ARG 33 17.140 14.623 4.487 516 1HD ARG 33 HD2 ARG 33 18.186 13.718 2.733 517 2HD ARG 33 HD1 ARG 33 18.301 15.364 2.111 518 HE ARG 33 HE ARG 33 20.551 15.340 2.544 519 1HH1 ARG 33 HH11 ARG 33 19.049 12.652 4.186 520 2HH1 ARG 33 HH12 ARG 33 20.554 11.927 4.641 521 1HH2 ARG 33 HH21 ARG 33 22.531 14.389 3.141 522 2HH2 ARG 33 HH22 ARG 33 22.532 12.913 4.049 Start of MODEL 29 1 H CYS 1 HT1 CYS 1 10.074 25.519 -7.141 2 HA CYS 1 HA CYS 1 8.493 27.016 -5.175 3 1HB CYS 1 HB2 CYS 1 6.540 25.780 -6.127 4 2HB CYS 1 HB1 CYS 1 7.212 26.983 -7.223 5 HG CYS 1 HG CYS 1 7.796 25.216 -8.839 6 H GLY 2 HN GLY 2 7.550 25.616 -3.604 7 1HA GLY 2 HA2 GLY 2 7.827 22.844 -3.498 8 2HA GLY 2 HA1 GLY 2 9.261 23.530 -2.751 9 H GLY 3 HN GLY 3 9.160 23.917 -0.638 10 1HA GLY 3 HA2 GLY 3 8.303 24.426 1.439 11 2HA GLY 3 HA1 GLY 3 6.829 24.956 0.643 12 H ASP 4 HN ASP 4 8.537 21.851 1.061 13 HA ASP 4 HA ASP 4 7.824 19.810 1.773 14 1HB ASP 4 HB2 ASP 4 5.632 21.406 3.097 15 2HB ASP 4 HB1 ASP 4 6.029 19.727 3.445 16 H ASN 5 HN ASN 5 6.592 21.266 -0.642 17 HA ASN 5 HA ASN 5 3.973 20.452 -1.072 18 1HB ASN 5 HB2 ASN 5 5.693 21.869 -2.538 19 2HB ASN 5 HB1 ASN 5 5.879 20.324 -3.363 20 1HD2 ASN 5 HD21 ASN 5 3.625 19.234 -3.717 21 2HD2 ASN 5 HD22 ASN 5 2.443 20.262 -4.445 22 H ILE 6 HN ILE 6 6.929 18.668 -1.091 23 HA ILE 6 HA ILE 6 5.866 16.354 -2.431 24 HB ILE 6 HB ILE 6 8.365 16.493 -0.755 25 1HG1 ILE 6 HG12 ILE 6 8.134 17.069 -3.716 26 2HG1 ILE 6 HG11 ILE 6 8.297 18.312 -2.478 27 1HG2 ILE 6 HG21 ILE 6 7.679 14.763 -3.123 28 2HG2 ILE 6 HG22 ILE 6 7.528 14.267 -1.439 29 3HG2 ILE 6 HG23 ILE 6 9.115 14.653 -2.107 30 1HD1 ILE 6 HD11 ILE 6 10.375 17.412 -3.801 31 2HD1 ILE 6 HD12 ILE 6 10.322 16.143 -2.578 32 3HD1 ILE 6 HD13 ILE 6 10.490 17.830 -2.092 33 H GLU 7 HN GLU 7 6.738 17.250 0.878 34 HA GLU 7 HA GLU 7 6.146 14.857 2.163 35 1HB GLU 7 HB2 GLU 7 7.063 17.263 2.982 36 2HB GLU 7 HB1 GLU 7 5.419 17.340 3.600 37 1HG GLU 7 HG2 GLU 7 5.750 15.646 5.096 38 2HG GLU 7 HG1 GLU 7 7.020 14.894 4.131 39 H GLN 8 HN GLN 8 4.044 17.357 0.963 40 HA GLN 8 HA GLN 8 1.710 16.419 2.354 41 1HB GLN 8 HB2 GLN 8 2.032 18.788 1.625 42 2HB GLN 8 HB1 GLN 8 1.879 18.253 -0.042 43 1HG GLN 8 HG2 GLN 8 -0.249 18.957 0.371 44 2HG GLN 8 HG1 GLN 8 -0.386 17.254 0.807 45 1HE2 GLN 8 HE21 GLN 8 -1.760 19.811 1.681 46 2HE2 GLN 8 HE22 GLN 8 -1.707 19.745 3.407 47 H LYS 9 HN LYS 9 3.080 16.116 -0.876 48 HA LYS 9 HA LYS 9 0.933 14.745 -2.070 49 1HB LYS 9 HB2 LYS 9 2.933 15.823 -3.220 50 2HB LYS 9 HB1 LYS 9 3.838 14.379 -2.789 51 1HG LYS 9 HG2 LYS 9 1.701 13.251 -3.967 52 2HG LYS 9 HG1 LYS 9 1.773 14.780 -4.846 53 1HD LYS 9 HD2 LYS 9 4.380 14.081 -4.878 54 2HD LYS 9 HD1 LYS 9 3.625 12.484 -4.872 55 1HE LYS 9 HE2 LYS 9 2.685 14.606 -6.763 56 2HE LYS 9 HE1 LYS 9 4.119 13.650 -7.135 57 1HZ LYS 9 HZ1 LYS 9 2.305 12.558 -8.129 58 2HZ LYS 9 HZ2 LYS 9 1.347 12.682 -6.741 59 3HZ LYS 9 HZ3 LYS 9 2.682 11.644 -6.756 60 H ILE 10 HN ILE 10 3.691 13.648 -0.179 61 HA ILE 10 HA ILE 10 3.271 10.872 -0.671 62 HB ILE 10 HB ILE 10 4.701 10.533 1.353 63 1HG1 ILE 10 HG12 ILE 10 5.069 13.528 1.238 64 2HG1 ILE 10 HG11 ILE 10 4.092 12.701 2.448 65 1HG2 ILE 10 HG21 ILE 10 5.896 12.372 -0.707 66 2HG2 ILE 10 HG22 ILE 10 5.542 10.667 -0.987 67 3HG2 ILE 10 HG23 ILE 10 6.727 11.133 0.233 68 1HD1 ILE 10 HD11 ILE 10 6.252 13.221 3.355 69 2HD1 ILE 10 HD12 ILE 10 7.050 12.393 2.018 70 3HD1 ILE 10 HD13 ILE 10 6.091 11.474 3.179 71 H ASP 11 HN ASP 11 2.333 13.076 1.952 72 HA ASP 11 HA ASP 11 1.260 11.264 3.740 73 1HB ASP 11 HB2 ASP 11 1.433 13.900 3.792 74 2HB ASP 11 HB1 ASP 11 -0.225 13.809 3.205 75 H ASP 12 HN ASP 12 -0.018 12.480 0.737 76 HA ASP 12 HA ASP 12 -2.663 11.476 1.026 77 1HB ASP 12 HB2 ASP 12 -1.009 12.572 -1.182 78 2HB ASP 12 HB1 ASP 12 -2.337 11.517 -1.659 79 H ILE 13 HN ILE 13 0.269 10.262 -0.524 80 HA ILE 13 HA ILE 13 -0.780 7.839 -1.474 81 HB ILE 13 HB ILE 13 2.053 8.337 -0.550 82 1HG1 ILE 13 HG12 ILE 13 0.743 8.878 -3.220 83 2HG1 ILE 13 HG11 ILE 13 1.414 10.071 -2.115 84 1HG2 ILE 13 HG21 ILE 13 1.640 6.615 -2.857 85 2HG2 ILE 13 HG22 ILE 13 0.863 5.998 -1.400 86 3HG2 ILE 13 HG23 ILE 13 2.592 6.342 -1.399 87 1HD1 ILE 13 HD11 ILE 13 3.602 8.627 -2.483 88 2HD1 ILE 13 HD12 ILE 13 3.131 9.922 -3.583 89 3HD1 ILE 13 HD13 ILE 13 2.781 8.243 -3.996 90 H ASP 14 HN ASP 14 0.838 8.664 1.580 91 HA ASP 14 HA ASP 14 1.024 6.201 2.772 92 1HB ASP 14 HB2 ASP 14 1.520 8.706 3.607 93 2HB ASP 14 HB1 ASP 14 0.036 8.401 4.504 94 H HIS 15 HN HIS 15 -1.831 8.183 2.326 95 HA HIS 15 HA HIS 15 -3.504 6.605 4.037 96 1HB HIS 15 HB2 HIS 15 -3.890 9.034 3.392 97 2HB HIS 15 HB1 HIS 15 -4.408 8.441 1.818 98 HD1 HIS 15 HD1 HIS 15 -5.457 6.200 4.482 99 HD2 HIS 15 HD2 HIS 15 -6.933 9.648 2.694 100 HE1 HIS 15 HE1 HIS 15 -7.886 6.301 5.122 101 HE2 HIS 15 HE2 HIS 15 -8.779 8.350 3.959 102 H GLU 16 HN GLU 16 -2.538 6.544 0.698 103 HA GLU 16 HA GLU 16 -4.598 4.664 -0.061 104 1HB GLU 16 HB2 GLU 16 -2.173 5.367 -1.698 105 2HB GLU 16 HB1 GLU 16 -3.747 4.818 -2.259 106 1HG GLU 16 HG2 GLU 16 -3.453 7.424 -0.817 107 2HG GLU 16 HG1 GLU 16 -3.115 7.293 -2.543 108 H ILE 17 HN ILE 17 -1.229 4.618 0.852 109 HA ILE 17 HA ILE 17 -0.608 1.997 0.000 110 HB ILE 17 HB ILE 17 0.629 3.458 2.336 111 1HG1 ILE 17 HG12 ILE 17 1.779 3.530 -0.419 112 2HG1 ILE 17 HG11 ILE 17 0.466 4.632 -0.026 113 1HG2 ILE 17 HG21 ILE 17 2.618 2.084 1.105 114 2HG2 ILE 17 HG22 ILE 17 1.245 1.007 0.846 115 3HG2 ILE 17 HG23 ILE 17 1.693 1.486 2.483 116 1HD1 ILE 17 HD11 ILE 17 1.869 5.995 0.998 117 2HD1 ILE 17 HD12 ILE 17 3.196 4.962 0.466 118 3HD1 ILE 17 HD13 ILE 17 2.445 4.695 2.039 119 H ALA 18 HN ALA 18 -2.099 3.316 2.876 120 HA ALA 18 HA ALA 18 -1.967 0.862 4.373 121 1HB ALA 18 HB1 ALA 18 -3.808 2.344 5.690 122 2HB ALA 18 HB2 ALA 18 -2.922 3.605 4.832 123 3HB ALA 18 HB3 ALA 18 -2.066 2.502 5.910 124 H ASP 19 HN ASP 19 -4.384 2.560 2.439 125 HA ASP 19 HA ASP 19 -6.653 1.118 3.107 126 1HB ASP 19 HB2 ASP 19 -6.130 3.108 1.350 127 2HB ASP 19 HB1 ASP 19 -6.336 1.761 0.235 128 H LEU 20 HN LEU 20 -4.177 0.365 0.682 129 HA LEU 20 HA LEU 20 -5.423 -2.001 -0.258 130 1HB LEU 20 HB2 LEU 20 -2.468 -1.497 -0.349 131 2HB LEU 20 HB1 LEU 20 -3.455 -2.400 -1.482 132 HG LEU 20 HG LEU 20 -3.228 0.579 -1.175 133 1HD1 LEU 20 HD11 LEU 20 -1.622 -0.145 -2.663 134 2HD1 LEU 20 HD12 LEU 20 -2.974 0.240 -3.730 135 3HD1 LEU 20 HD13 LEU 20 -2.641 -1.437 -3.298 136 1HD2 LEU 20 HD21 LEU 20 -5.275 -0.856 -2.856 137 2HD2 LEU 20 HD22 LEU 20 -5.061 0.886 -2.683 138 3HD2 LEU 20 HD23 LEU 20 -5.629 -0.072 -1.316 139 H GLN 21 HN GLN 21 -2.689 -1.492 1.963 140 HA GLN 21 HA GLN 21 -2.137 -4.124 2.583 141 1HB GLN 21 HB2 GLN 21 -1.123 -1.767 3.382 142 2HB GLN 21 HB1 GLN 21 -2.027 -2.191 4.830 143 1HG GLN 21 HG2 GLN 21 -0.834 -4.349 4.900 144 2HG GLN 21 HG1 GLN 21 0.122 -3.833 3.511 145 1HE2 GLN 21 HE21 GLN 21 1.797 -2.451 3.800 146 2HE2 GLN 21 HE22 GLN 21 2.321 -1.879 5.342 147 H ALA 22 HN ALA 22 -4.706 -2.070 3.791 148 HA ALA 22 HA ALA 22 -5.496 -3.778 5.928 149 1HB ALA 22 HB1 ALA 22 -6.029 -1.343 5.768 150 2HB ALA 22 HB2 ALA 22 -7.415 -2.370 6.139 151 3HB ALA 22 HB3 ALA 22 -7.198 -1.738 4.508 152 H LYS 23 HN LYS 23 -6.325 -3.542 2.533 153 HA LYS 23 HA LYS 23 -8.617 -5.212 2.623 154 1HB LYS 23 HB2 LYS 23 -6.961 -3.939 0.568 155 2HB LYS 23 HB1 LYS 23 -7.644 -5.479 0.066 156 1HG LYS 23 HG2 LYS 23 -9.589 -4.509 -0.329 157 2HG LYS 23 HG1 LYS 23 -9.688 -3.985 1.354 158 1HD LYS 23 HD2 LYS 23 -9.759 -1.953 0.305 159 2HD LYS 23 HD1 LYS 23 -8.014 -2.125 0.509 160 1HE LYS 23 HE2 LYS 23 -8.383 -3.381 -1.865 161 2HE LYS 23 HE1 LYS 23 -9.653 -2.159 -1.935 162 1HZ LYS 23 HZ1 LYS 23 -7.936 -0.962 -2.769 163 2HZ LYS 23 HZ2 LYS 23 -6.752 -1.827 -1.925 164 3HZ LYS 23 HZ3 LYS 23 -7.665 -0.647 -1.128 165 H ARG 24 HN ARG 24 -5.183 -5.821 2.213 166 HA ARG 24 HA ARG 24 -5.435 -8.530 1.391 167 1HB ARG 24 HB2 ARG 24 -3.284 -6.686 2.067 168 2HB ARG 24 HB1 ARG 24 -2.956 -8.321 2.625 169 1HG ARG 24 HG2 ARG 24 -3.725 -8.938 0.180 170 2HG ARG 24 HG1 ARG 24 -3.233 -7.274 -0.137 171 1HD ARG 24 HD2 ARG 24 -1.111 -7.907 -0.199 172 2HD ARG 24 HD1 ARG 24 -1.227 -8.486 1.460 173 HE ARG 24 HE ARG 24 -1.741 -10.118 -0.940 174 1HH1 ARG 24 HH11 ARG 24 -0.837 -9.859 2.431 175 2HH1 ARG 24 HH12 ARG 24 -0.425 -11.533 2.571 176 1HH2 ARG 24 HH21 ARG 24 -1.198 -12.313 -0.744 177 2HH2 ARG 24 HH22 ARG 24 -0.632 -12.925 0.774 178 H THR 25 HN THR 25 -4.810 -7.013 4.545 179 HA THR 25 HA THR 25 -4.477 -9.366 6.024 180 HB THR 25 HB THR 25 -5.821 -7.124 7.389 181 HG1 THR 25 HG1 THR 25 -4.707 -5.776 6.154 182 1HG2 THR 25 HG21 THR 25 -4.784 -8.120 9.068 183 2HG2 THR 25 HG22 THR 25 -3.277 -7.471 8.420 184 3HG2 THR 25 HG23 THR 25 -3.803 -9.094 7.972 185 H ARG 26 HN ARG 26 -7.388 -7.333 5.697 186 HA ARG 26 HA ARG 26 -9.149 -8.856 7.169 187 1HB ARG 26 HB2 ARG 26 -10.943 -7.870 5.806 188 2HB ARG 26 HB1 ARG 26 -9.741 -6.670 6.265 189 1HG ARG 26 HG2 ARG 26 -8.723 -6.863 4.038 190 2HG ARG 26 HG1 ARG 26 -9.976 -8.020 3.584 191 1HD ARG 26 HD2 ARG 26 -10.257 -5.095 4.208 192 2HD ARG 26 HD1 ARG 26 -10.706 -5.953 2.734 193 HE ARG 26 HE ARG 26 -12.271 -5.680 5.125 194 1HH1 ARG 26 HH11 ARG 26 -11.703 -7.648 2.300 195 2HH1 ARG 26 HH12 ARG 26 -13.295 -8.331 2.303 196 1HH2 ARG 26 HH21 ARG 26 -14.364 -6.577 5.130 197 2HH2 ARG 26 HH22 ARG 26 -14.806 -7.723 3.909 198 H LEU 27 HN LEU 27 -8.237 -9.225 3.774 199 HA LEU 27 HA LEU 27 -9.989 -11.355 3.189 200 1HB LEU 27 HB2 LEU 27 -7.673 -10.072 1.925 201 2HB LEU 27 HB1 LEU 27 -7.829 -11.777 1.547 202 HG LEU 27 HG LEU 27 -10.139 -11.369 0.756 203 1HD1 LEU 27 HD11 LEU 27 -11.005 -9.171 0.499 204 2HD1 LEU 27 HD12 LEU 27 -9.487 -8.443 1.025 205 3HD1 LEU 27 HD13 LEU 27 -10.485 -9.333 2.177 206 1HD2 LEU 27 HD21 LEU 27 -8.216 -9.520 -0.631 207 2HD2 LEU 27 HD22 LEU 27 -9.519 -10.477 -1.337 208 3HD2 LEU 27 HD23 LEU 27 -8.076 -11.276 -0.714 209 H VAL 28 HN VAL 28 -6.728 -11.220 4.529 210 HA VAL 28 HA VAL 28 -6.139 -13.968 4.407 211 HB VAL 28 HB VAL 28 -5.222 -12.032 6.527 212 1HG1 VAL 28 HG11 VAL 28 -3.765 -13.586 7.235 213 2HG1 VAL 28 HG12 VAL 28 -3.421 -14.150 5.601 214 3HG1 VAL 28 HG13 VAL 28 -4.855 -14.727 6.448 215 1HG2 VAL 28 HG21 VAL 28 -3.254 -12.467 4.518 216 2HG2 VAL 28 HG22 VAL 28 -4.039 -10.958 4.981 217 3HG2 VAL 28 HG23 VAL 28 -4.753 -11.974 3.731 218 H GLN 29 HN GLN 29 -7.628 -12.006 6.955 219 HA GLN 29 HA GLN 29 -7.953 -13.936 8.909 220 1HB GLN 29 HB2 GLN 29 -9.374 -11.435 8.175 221 2HB GLN 29 HB1 GLN 29 -10.239 -12.542 9.233 222 1HG GLN 29 HG2 GLN 29 -9.182 -11.320 10.810 223 2HG GLN 29 HG1 GLN 29 -7.920 -12.516 10.519 224 1HE2 GLN 29 HE21 GLN 29 -8.864 -9.222 10.214 225 2HE2 GLN 29 HE22 GLN 29 -7.358 -8.616 9.626 226 H GLN 30 HN GLN 30 -9.708 -13.402 5.944 227 HA GLN 30 HA GLN 30 -11.887 -15.141 6.492 228 1HB GLN 30 HB2 GLN 30 -11.413 -13.312 4.572 229 2HB GLN 30 HB1 GLN 30 -10.998 -14.773 3.686 230 1HG GLN 30 HG2 GLN 30 -13.218 -14.559 3.183 231 2HG GLN 30 HG1 GLN 30 -13.287 -15.632 4.581 232 1HE2 GLN 30 HE21 GLN 30 -12.958 -12.123 4.145 233 2HE2 GLN 30 HE22 GLN 30 -14.266 -11.699 5.192 234 H HIS 31 HN HIS 31 -8.647 -15.578 5.229 235 HA HIS 31 HA HIS 31 -9.082 -18.475 5.332 236 1HB HIS 31 HB2 HIS 31 -7.909 -18.855 3.242 237 2HB HIS 31 HB1 HIS 31 -9.288 -17.798 2.962 238 HD1 HIS 31 HD1 HIS 31 -8.390 -15.080 3.281 239 HD2 HIS 31 HD2 HIS 31 -5.800 -17.973 1.816 240 HE1 HIS 31 HE1 HIS 31 -6.622 -13.825 2.018 241 HE2 HIS 31 HE2 HIS 31 -4.949 -15.584 1.350 242 HA PRO 32 HA PRO 32 -5.244 -17.109 7.585 243 1HB PRO 32 HB2 PRO 32 -5.671 -18.717 9.742 244 2HB PRO 32 HB1 PRO 32 -6.317 -17.078 9.611 245 1HG PRO 32 HG2 PRO 32 -7.671 -19.696 9.088 246 2HG PRO 32 HG1 PRO 32 -8.290 -18.265 9.934 247 1HD PRO 32 HD2 PRO 32 -8.957 -18.826 7.379 248 2HD PRO 32 HD1 PRO 32 -8.782 -17.160 7.966 249 H ARG 33 HN ARG 33 -6.664 -20.226 6.850 250 HA ARG 33 HA ARG 33 -4.229 -21.275 5.863 251 1HB ARG 33 HB2 ARG 33 -3.829 -23.042 7.488 252 2HB ARG 33 HB1 ARG 33 -3.717 -21.468 8.263 253 1HG ARG 33 HG2 ARG 33 -6.401 -22.363 8.481 254 2HG ARG 33 HG1 ARG 33 -5.335 -23.682 8.971 255 1HD ARG 33 HD2 ARG 33 -4.166 -21.566 10.210 256 2HD ARG 33 HD1 ARG 33 -5.864 -21.095 10.259 257 HE ARG 33 HE ARG 33 -5.388 -23.798 11.113 258 1HH1 ARG 33 HH11 ARG 33 -5.495 -20.458 12.118 259 2HH1 ARG 33 HH12 ARG 33 -5.797 -20.839 13.780 260 1HH2 ARG 33 HH21 ARG 33 -5.786 -24.300 13.298 261 2HH2 ARG 33 HH22 ARG 33 -5.962 -23.019 14.451 262 H CYS 1 HN CYS 1 -17.218 -21.187 1.426 263 HA CYS 1 HA CYS 1 -14.995 -20.441 0.910 264 1HB CYS 1 HB2 CYS 1 -13.587 -22.312 1.697 265 2HB CYS 1 HB1 CYS 1 -15.019 -22.095 2.698 266 HG CYS 1 HG CYS 1 -14.940 -24.355 0.567 267 H GLY 2 HN GLY 2 -13.157 -20.553 -0.421 268 1HA GLY 2 HA2 GLY 2 -13.518 -22.180 -2.862 269 2HA GLY 2 HA1 GLY 2 -12.947 -20.519 -2.908 270 H GLY 3 HN GLY 3 -11.627 -22.860 -3.962 271 1HA GLY 3 HA2 GLY 3 -9.547 -23.723 -2.243 272 2HA GLY 3 HA1 GLY 3 -9.557 -23.856 -3.995 273 H ASP 4 HN ASP 4 -8.847 -21.686 -1.306 274 HA ASP 4 HA ASP 4 -7.320 -20.017 -1.057 275 1HB ASP 4 HB2 ASP 4 -6.108 -21.200 -3.555 276 2HB ASP 4 HB1 ASP 4 -5.319 -20.050 -2.478 277 H ASN 5 HN ASN 5 -9.685 -19.854 -3.029 278 HA ASN 5 HA ASN 5 -9.130 -18.127 -5.125 279 1HB ASN 5 HB2 ASN 5 -11.547 -18.670 -3.458 280 2HB ASN 5 HB1 ASN 5 -11.566 -17.260 -4.512 281 1HD2 ASN 5 HD21 ASN 5 -10.409 -17.958 -6.746 282 2HD2 ASN 5 HD22 ASN 5 -11.175 -19.319 -7.484 283 H ILE 6 HN ILE 6 -9.321 -17.557 -1.719 284 HA ILE 6 HA ILE 6 -9.439 -14.688 -1.914 285 HB ILE 6 HB ILE 6 -8.662 -16.328 0.492 286 1HG1 ILE 6 HG12 ILE 6 -11.455 -15.397 -0.179 287 2HG1 ILE 6 HG11 ILE 6 -10.871 -17.005 -0.594 288 1HG2 ILE 6 HG21 ILE 6 -9.964 -13.619 0.308 289 2HG2 ILE 6 HG22 ILE 6 -8.239 -13.888 0.551 290 3HG2 ILE 6 HG23 ILE 6 -9.396 -14.432 1.766 291 1HD1 ILE 6 HD11 ILE 6 -12.204 -16.582 1.611 292 2HD1 ILE 6 HD12 ILE 6 -10.629 -16.073 2.218 293 3HD1 ILE 6 HD13 ILE 6 -10.843 -17.704 1.582 294 H GLU 7 HN GLU 7 -7.001 -17.124 -1.123 295 HA GLU 7 HA GLU 7 -4.860 -15.457 -0.526 296 1HB GLU 7 HB2 GLU 7 -5.186 -18.122 -0.573 297 2HB GLU 7 HB1 GLU 7 -4.278 -17.928 -2.065 298 1HG GLU 7 HG2 GLU 7 -3.169 -16.483 0.226 299 2HG GLU 7 HG1 GLU 7 -3.186 -18.237 0.399 300 H GLN 8 HN GLN 8 -6.195 -16.409 -3.608 301 HA GLN 8 HA GLN 8 -4.007 -15.401 -5.163 302 1HB GLN 8 HB2 GLN 8 -5.939 -17.148 -5.738 303 2HB GLN 8 HB1 GLN 8 -6.726 -15.696 -6.341 304 1HG GLN 8 HG2 GLN 8 -5.626 -16.628 -8.186 305 2HG GLN 8 HG1 GLN 8 -4.623 -15.270 -7.678 306 1HE2 GLN 8 HE21 GLN 8 -3.196 -16.710 -9.124 307 2HE2 GLN 8 HE22 GLN 8 -2.200 -17.846 -8.286 308 H LYS 9 HN LYS 9 -7.187 -14.238 -4.192 309 HA LYS 9 HA LYS 9 -7.202 -11.867 -5.692 310 1HB LYS 9 HB2 LYS 9 -8.930 -13.131 -3.920 311 2HB LYS 9 HB1 LYS 9 -8.539 -11.616 -3.118 312 1HG LYS 9 HG2 LYS 9 -9.037 -10.847 -5.716 313 2HG LYS 9 HG1 LYS 9 -10.220 -12.124 -5.429 314 1HD LYS 9 HD2 LYS 9 -9.899 -10.145 -3.264 315 2HD LYS 9 HD1 LYS 9 -10.615 -9.545 -4.761 316 1HE LYS 9 HE2 LYS 9 -12.208 -11.490 -4.647 317 2HE LYS 9 HE1 LYS 9 -11.585 -11.809 -3.028 318 1HZ LYS 9 HZ1 LYS 9 -13.100 -9.454 -3.977 319 2HZ LYS 9 HZ2 LYS 9 -12.204 -9.412 -2.544 320 3HZ LYS 9 HZ3 LYS 9 -13.480 -10.509 -2.710 321 H ILE 10 HN ILE 10 -5.905 -12.624 -2.501 322 HA ILE 10 HA ILE 10 -5.265 -9.928 -1.842 323 HB ILE 10 HB ILE 10 -3.722 -10.948 -0.147 324 1HG1 ILE 10 HG12 ILE 10 -4.999 -13.544 -1.028 325 2HG1 ILE 10 HG11 ILE 10 -3.335 -13.080 -1.373 326 1HG2 ILE 10 HG21 ILE 10 -5.446 -11.267 1.338 327 2HG2 ILE 10 HG22 ILE 10 -6.430 -12.150 0.172 328 3HG2 ILE 10 HG23 ILE 10 -6.266 -10.400 0.040 329 1HD1 ILE 10 HD11 ILE 10 -2.982 -12.911 1.103 330 2HD1 ILE 10 HD12 ILE 10 -3.282 -14.534 0.482 331 3HD1 ILE 10 HD13 ILE 10 -4.571 -13.650 1.299 332 H ASP 11 HN ASP 11 -3.397 -12.626 -3.209 333 HA ASP 11 HA ASP 11 -0.870 -11.535 -3.222 334 1HB ASP 11 HB2 ASP 11 -1.940 -13.789 -4.261 335 2HB ASP 11 HB1 ASP 11 -1.682 -12.871 -5.742 336 H ASP 12 HN ASP 12 -3.598 -10.826 -5.282 337 HA ASP 12 HA ASP 12 -2.213 -9.225 -7.181 338 1HB ASP 12 HB2 ASP 12 -4.721 -10.231 -7.079 339 2HB ASP 12 HB1 ASP 12 -5.045 -8.575 -6.573 340 H ILE 13 HN ILE 13 -4.094 -8.481 -4.275 341 HA ILE 13 HA ILE 13 -3.769 -5.697 -4.327 342 HB ILE 13 HB ILE 13 -4.006 -7.429 -1.864 343 1HG1 ILE 13 HG12 ILE 13 -6.155 -6.276 -3.654 344 2HG1 ILE 13 HG11 ILE 13 -5.791 -7.982 -3.419 345 1HG2 ILE 13 HG21 ILE 13 -5.335 -4.852 -1.831 346 2HG2 ILE 13 HG22 ILE 13 -3.598 -4.701 -2.091 347 3HG2 ILE 13 HG23 ILE 13 -4.206 -5.556 -0.674 348 1HD1 ILE 13 HD11 ILE 13 -6.286 -6.878 -0.872 349 2HD1 ILE 13 HD12 ILE 13 -7.259 -8.042 -1.772 350 3HD1 ILE 13 HD13 ILE 13 -7.560 -6.314 -1.954 351 H ASP 14 HN ASP 14 -1.833 -8.257 -2.813 352 HA ASP 14 HA ASP 14 0.007 -6.792 -1.403 353 1HB ASP 14 HB2 ASP 14 -0.260 -9.430 -2.063 354 2HB ASP 14 HB1 ASP 14 1.196 -8.996 -2.952 355 H HIS 15 HN HIS 15 -0.179 -7.289 -4.870 356 HA HIS 15 HA HIS 15 2.385 -6.144 -5.432 357 1HB HIS 15 HB2 HIS 15 1.174 -7.751 -6.941 358 2HB HIS 15 HB1 HIS 15 0.034 -6.460 -7.308 359 HD1 HIS 15 HD1 HIS 15 3.491 -5.293 -6.983 360 HD2 HIS 15 HD2 HIS 15 1.047 -6.762 -10.007 361 HE1 HIS 15 HE1 HIS 15 4.647 -4.690 -9.134 362 HE2 HIS 15 HE2 HIS 15 3.194 -5.666 -10.947 363 H GLU 16 HN GLU 16 -0.858 -4.970 -5.004 364 HA GLU 16 HA GLU 16 -0.265 -2.370 -6.118 365 1HB GLU 16 HB2 GLU 16 -2.704 -3.066 -4.502 366 2HB GLU 16 HB1 GLU 16 -2.532 -1.834 -5.745 367 1HG GLU 16 HG2 GLU 16 -2.260 -4.753 -6.373 368 2HG GLU 16 HG1 GLU 16 -3.830 -3.951 -6.326 369 H ILE 17 HN ILE 17 -0.479 -3.877 -2.975 370 HA ILE 17 HA ILE 17 -0.539 -1.534 -1.400 371 HB ILE 17 HB ILE 17 0.666 -4.185 -0.605 372 1HG1 ILE 17 HG12 ILE 17 -2.164 -3.447 -0.007 373 2HG1 ILE 17 HG11 ILE 17 -1.782 -4.086 -1.599 374 1HG2 ILE 17 HG21 ILE 17 -0.010 -1.700 0.794 375 2HG2 ILE 17 HG22 ILE 17 1.125 -2.977 1.230 376 3HG2 ILE 17 HG23 ILE 17 -0.594 -3.166 1.581 377 1HD1 ILE 17 HD11 ILE 17 -1.775 -6.145 -0.802 378 2HD1 ILE 17 HD12 ILE 17 -2.280 -5.506 0.762 379 3HD1 ILE 17 HD13 ILE 17 -0.565 -5.717 0.406 380 H ALA 18 HN ALA 18 2.029 -3.362 -2.909 381 HA ALA 18 HA ALA 18 4.152 -2.014 -1.509 382 1HB ALA 18 HB1 ALA 18 5.379 -3.192 -3.618 383 2HB ALA 18 HB2 ALA 18 3.924 -4.178 -3.483 384 3HB ALA 18 HB3 ALA 18 5.006 -4.008 -2.100 385 H ASP 19 HN ASP 19 2.597 -1.776 -4.670 386 HA ASP 19 HA ASP 19 4.364 -0.086 -5.971 387 1HB ASP 19 HB2 ASP 19 2.240 -1.181 -6.879 388 2HB ASP 19 HB1 ASP 19 1.368 0.186 -6.194 389 H LEU 20 HN LEU 20 1.725 0.744 -3.757 390 HA LEU 20 HA LEU 20 2.068 3.554 -3.973 391 1HB LEU 20 HB2 LEU 20 0.896 2.164 -1.589 392 2HB LEU 20 HB1 LEU 20 0.506 3.750 -2.224 393 HG LEU 20 HG LEU 20 -0.266 1.073 -3.361 394 1HD1 LEU 20 HD11 LEU 20 -2.544 2.100 -3.167 395 2HD1 LEU 20 HD12 LEU 20 -1.795 3.422 -2.271 396 3HD1 LEU 20 HD13 LEU 20 -1.731 1.778 -1.636 397 1HD2 LEU 20 HD21 LEU 20 -0.790 3.755 -4.624 398 2HD2 LEU 20 HD22 LEU 20 -1.193 2.162 -5.265 399 3HD2 LEU 20 HD23 LEU 20 0.495 2.663 -5.142 400 H GLN 21 HN GLN 21 3.012 1.232 -1.444 401 HA GLN 21 HA GLN 21 4.296 2.975 0.274 402 1HB GLN 21 HB2 GLN 21 3.808 0.456 0.528 403 2HB GLN 21 HB1 GLN 21 5.357 0.215 -0.266 404 1HG GLN 21 HG2 GLN 21 6.463 0.598 1.612 405 2HG GLN 21 HG1 GLN 21 5.608 2.117 1.874 406 1HE2 GLN 21 HE21 GLN 21 5.540 1.730 4.101 407 2HE2 GLN 21 HE22 GLN 21 4.447 0.584 4.790 408 H ALA 22 HN ALA 22 5.432 1.603 -2.736 409 HA ALA 22 HA ALA 22 8.170 2.337 -2.383 410 1HB ALA 22 HB1 ALA 22 6.926 0.643 -4.056 411 2HB ALA 22 HB2 ALA 22 8.537 1.295 -4.352 412 3HB ALA 22 HB3 ALA 22 7.133 2.028 -5.127 413 H LYS 23 HN LYS 23 5.331 3.897 -3.694 414 HA LYS 23 HA LYS 23 6.719 5.994 -5.037 415 1HB LYS 23 HB2 LYS 23 3.871 5.517 -4.237 416 2HB LYS 23 HB1 LYS 23 4.361 7.100 -4.824 417 1HG LYS 23 HG2 LYS 23 4.541 6.401 -6.948 418 2HG LYS 23 HG1 LYS 23 5.234 4.845 -6.486 419 1HD LYS 23 HD2 LYS 23 3.247 4.017 -7.133 420 2HD LYS 23 HD1 LYS 23 2.688 4.595 -5.562 421 1HE LYS 23 HE2 LYS 23 1.137 5.652 -6.817 422 2HE LYS 23 HE1 LYS 23 2.420 6.847 -7.002 423 1HZ LYS 23 HZ1 LYS 23 2.059 4.601 -8.898 424 2HZ LYS 23 HZ2 LYS 23 2.972 6.010 -9.111 425 3HZ LYS 23 HZ3 LYS 23 1.282 6.091 -9.100 426 H ARG 24 HN ARG 24 5.480 5.546 -1.791 427 HA ARG 24 HA ARG 24 5.644 8.267 -0.988 428 1HB ARG 24 HB2 ARG 24 4.997 5.720 0.224 429 2HB ARG 24 HB1 ARG 24 5.988 6.691 1.303 430 1HG ARG 24 HG2 ARG 24 4.268 8.572 0.624 431 2HG ARG 24 HG1 ARG 24 3.243 7.175 0.293 432 1HD ARG 24 HD2 ARG 24 2.825 6.939 2.457 433 2HD ARG 24 HD1 ARG 24 4.546 6.775 2.792 434 HE ARG 24 HE ARG 24 3.529 9.480 2.483 435 1HH1 ARG 24 HH11 ARG 24 4.452 6.915 4.670 436 2HH1 ARG 24 HH12 ARG 24 4.660 7.978 6.021 437 1HH2 ARG 24 HH21 ARG 24 3.801 10.872 4.262 438 2HH2 ARG 24 HH22 ARG 24 4.290 10.220 5.790 439 H THR 25 HN THR 25 7.839 5.498 -0.568 440 HA THR 25 HA THR 25 9.800 6.820 0.930 441 HB THR 25 HB THR 25 10.765 4.782 -0.964 442 HG1 THR 25 HG1 THR 25 9.570 3.132 -0.044 443 1HG2 THR 25 HG21 THR 25 11.243 3.689 1.364 444 2HG2 THR 25 HG22 THR 25 10.970 5.331 1.947 445 3HG2 THR 25 HG23 THR 25 12.237 5.015 0.760 446 H ARG 26 HN ARG 26 9.773 6.125 -2.569 447 HA ARG 26 HA ARG 26 12.094 7.422 -3.281 448 1HB ARG 26 HB2 ARG 26 11.205 7.600 -5.516 449 2HB ARG 26 HB1 ARG 26 10.677 6.076 -4.818 450 1HG ARG 26 HG2 ARG 26 8.481 6.978 -4.401 451 2HG ARG 26 HG1 ARG 26 8.996 8.569 -4.962 452 1HD ARG 26 HD2 ARG 26 9.653 6.793 -7.023 453 2HD ARG 26 HD1 ARG 26 8.049 6.309 -6.476 454 HE ARG 26 HE ARG 26 7.198 8.261 -7.328 455 1HH1 ARG 26 HH11 ARG 26 10.681 8.484 -7.215 456 2HH1 ARG 26 HH12 ARG 26 10.739 9.958 -8.122 457 1HH2 ARG 26 HH21 ARG 26 7.276 10.199 -8.520 458 2HH2 ARG 26 HH22 ARG 26 8.808 10.932 -8.862 459 H LEU 27 HN LEU 27 8.883 8.785 -2.784 460 HA LEU 27 HA LEU 27 9.504 11.421 -3.587 461 1HB LEU 27 HB2 LEU 27 7.363 10.199 -1.880 462 2HB LEU 27 HB1 LEU 27 7.514 11.943 -1.985 463 HG LEU 27 HG LEU 27 7.114 10.126 -4.362 464 1HD1 LEU 27 HD11 LEU 27 5.122 11.853 -2.899 465 2HD1 LEU 27 HD12 LEU 27 5.165 10.090 -2.895 466 3HD1 LEU 27 HD13 LEU 27 4.822 10.959 -4.390 467 1HD2 LEU 27 HD21 LEU 27 8.247 12.184 -4.938 468 2HD2 LEU 27 HD22 LEU 27 7.034 13.126 -4.070 469 3HD2 LEU 27 HD23 LEU 27 6.583 12.232 -5.523 470 H VAL 28 HN VAL 28 9.703 9.715 -0.501 471 HA VAL 28 HA VAL 28 10.342 11.958 1.096 472 HB VAL 28 HB VAL 28 11.267 9.134 1.575 473 1HG1 VAL 28 HG11 VAL 28 10.448 10.947 3.765 474 2HG1 VAL 28 HG12 VAL 28 11.969 11.311 2.949 475 3HG1 VAL 28 HG13 VAL 28 11.732 9.738 3.712 476 1HG2 VAL 28 HG21 VAL 28 9.144 8.504 1.764 477 2HG2 VAL 28 HG22 VAL 28 8.590 10.145 1.429 478 3HG2 VAL 28 HG23 VAL 28 8.951 9.657 3.084 479 H GLN 29 HN GLN 29 12.352 9.559 -0.560 480 HA GLN 29 HA GLN 29 14.861 10.371 0.250 481 1HB GLN 29 HB2 GLN 29 13.875 9.231 -2.355 482 2HB GLN 29 HB1 GLN 29 15.575 9.607 -2.111 483 1HG GLN 29 HG2 GLN 29 15.837 7.971 -0.490 484 2HG GLN 29 HG1 GLN 29 14.107 7.874 -0.169 485 1HE2 GLN 29 HE21 GLN 29 12.953 6.361 -1.173 486 2HE2 GLN 29 HE22 GLN 29 13.529 5.350 -2.449 487 H GLN 30 HN GLN 30 12.660 11.854 -2.004 488 HA GLN 30 HA GLN 30 14.547 13.676 -3.136 489 1HB GLN 30 HB2 GLN 30 11.600 13.300 -3.232 490 2HB GLN 30 HB1 GLN 30 12.217 14.898 -3.627 491 1HG GLN 30 HG2 GLN 30 13.017 14.234 -5.604 492 2HG GLN 30 HG1 GLN 30 13.635 12.715 -4.955 493 1HE2 GLN 30 HE21 GLN 30 10.729 14.351 -6.074 494 2HE2 GLN 30 HE22 GLN 30 9.889 12.923 -6.563 495 H HIS 31 HN HIS 31 12.374 13.702 -0.377 496 HA HIS 31 HA HIS 31 13.605 16.241 0.449 497 1HB HIS 31 HB2 HIS 31 11.504 17.112 1.267 498 2HB HIS 31 HB1 HIS 31 11.336 16.708 -0.438 499 HD1 HIS 31 HD1 HIS 31 10.305 14.116 -0.743 500 HD2 HIS 31 HD2 HIS 31 9.411 16.218 2.722 501 HE1 HIS 31 HE1 HIS 31 8.236 13.041 0.183 502 HE2 HIS 31 HE2 HIS 31 7.872 14.174 2.401 503 HA PRO 32 HA PRO 32 13.766 12.988 3.789 504 1HB PRO 32 HB2 PRO 32 16.434 13.068 4.194 505 2HB PRO 32 HB1 PRO 32 15.699 12.060 2.943 506 1HG PRO 32 HG2 PRO 32 17.016 14.737 2.688 507 2HG PRO 32 HG1 PRO 32 17.172 13.309 1.647 508 1HD PRO 32 HD2 PRO 32 15.575 15.427 1.037 509 2HD PRO 32 HD1 PRO 32 15.223 13.767 0.518 510 H ARG 33 HN ARG 33 15.160 16.181 3.414 511 HA ARG 33 HA ARG 33 15.317 16.552 6.306 512 1HB ARG 33 HB2 ARG 33 16.427 18.658 5.798 513 2HB ARG 33 HB1 ARG 33 17.190 17.340 4.919 514 1HG ARG 33 HG2 ARG 33 15.051 18.851 3.532 515 2HG ARG 33 HG1 ARG 33 16.602 19.656 3.777 516 1HD ARG 33 HD2 ARG 33 17.265 17.104 2.891 517 2HD ARG 33 HD1 ARG 33 15.873 17.564 1.912 518 HE ARG 33 HE ARG 33 17.166 19.139 0.863 519 1HH1 ARG 33 HH11 ARG 33 18.825 18.025 3.724 520 2HH1 ARG 33 HH12 ARG 33 20.303 18.838 3.335 521 1HH2 ARG 33 HH21 ARG 33 19.111 20.209 0.350 522 2HH2 ARG 33 HH22 ARG 33 20.466 20.078 1.420 Start of MODEL 30 1 H CYS 1 HT1 CYS 1 10.825 15.116 6.798 2 HA CYS 1 HA CYS 1 8.064 15.609 5.951 3 1HB CYS 1 HB2 CYS 1 8.867 15.513 8.385 4 2HB CYS 1 HB1 CYS 1 9.760 16.988 8.033 5 HG CYS 1 HG CYS 1 7.112 17.758 7.304 6 H GLY 2 HN GLY 2 8.579 16.347 3.830 7 1HA GLY 2 HA2 GLY 2 10.514 18.326 3.277 8 2HA GLY 2 HA1 GLY 2 9.142 17.922 2.255 9 H GLY 3 HN GLY 3 7.087 18.560 4.128 10 1HA GLY 3 HA2 GLY 3 5.759 20.381 4.596 11 2HA GLY 3 HA1 GLY 3 7.205 21.013 5.368 12 H ASP 4 HN ASP 4 6.425 20.402 1.954 13 HA ASP 4 HA ASP 4 6.636 23.277 1.429 14 1HB ASP 4 HB2 ASP 4 8.238 21.081 0.121 15 2HB ASP 4 HB1 ASP 4 8.004 22.654 -0.642 16 H ASN 5 HN ASN 5 6.597 20.605 -0.847 17 HA ASN 5 HA ASN 5 3.778 21.012 -1.452 18 1HB ASN 5 HB2 ASN 5 6.004 21.900 -3.161 19 2HB ASN 5 HB1 ASN 5 4.818 20.897 -3.991 20 1HD2 ASN 5 HD21 ASN 5 2.470 21.550 -3.219 21 2HD2 ASN 5 HD22 ASN 5 2.138 23.240 -3.364 22 H ILE 6 HN ILE 6 6.790 19.326 -2.210 23 HA ILE 6 HA ILE 6 5.635 17.047 -3.405 24 HB ILE 6 HB ILE 6 8.183 16.928 -1.817 25 1HG1 ILE 6 HG12 ILE 6 7.746 18.266 -4.493 26 2HG1 ILE 6 HG11 ILE 6 8.464 18.962 -3.044 27 1HG2 ILE 6 HG21 ILE 6 7.287 15.629 -4.378 28 2HG2 ILE 6 HG22 ILE 6 7.363 14.875 -2.787 29 3HG2 ILE 6 HG23 ILE 6 8.847 15.386 -3.594 30 1HD1 ILE 6 HD11 ILE 6 10.071 16.783 -3.618 31 2HD1 ILE 6 HD12 ILE 6 10.434 18.480 -3.932 32 3HD1 ILE 6 HD13 ILE 6 9.701 17.486 -5.192 33 H GLU 7 HN GLU 7 6.734 17.722 -0.118 34 HA GLU 7 HA GLU 7 6.240 15.312 1.110 35 1HB GLU 7 HB2 GLU 7 7.303 17.186 2.255 36 2HB GLU 7 HB1 GLU 7 5.790 18.081 2.238 37 1HG GLU 7 HG2 GLU 7 5.677 15.422 3.492 38 2HG GLU 7 HG1 GLU 7 6.666 16.621 4.323 39 H GLN 8 HN GLN 8 3.936 17.722 0.073 40 HA GLN 8 HA GLN 8 1.724 16.595 1.517 41 1HB GLN 8 HB2 GLN 8 1.944 19.011 0.722 42 2HB GLN 8 HB1 GLN 8 1.553 18.413 -0.884 43 1HG GLN 8 HG2 GLN 8 -0.527 18.984 -0.221 44 2HG GLN 8 HG1 GLN 8 -0.489 17.347 0.431 45 1HE2 GLN 8 HE21 GLN 8 -1.789 17.578 2.157 46 2HE2 GLN 8 HE22 GLN 8 -1.481 18.646 3.480 47 H LYS 9 HN LYS 9 3.081 16.326 -1.703 48 HA LYS 9 HA LYS 9 0.996 14.958 -2.967 49 1HB LYS 9 HB2 LYS 9 3.238 15.941 -3.896 50 2HB LYS 9 HB1 LYS 9 3.862 14.331 -3.570 51 1HG LYS 9 HG2 LYS 9 2.236 13.350 -5.053 52 2HG LYS 9 HG1 LYS 9 1.475 14.923 -5.307 53 1HD LYS 9 HD2 LYS 9 3.613 15.744 -6.265 54 2HD LYS 9 HD1 LYS 9 4.269 14.114 -6.110 55 1HE LYS 9 HE2 LYS 9 1.688 14.433 -7.539 56 2HE LYS 9 HE1 LYS 9 3.148 14.990 -8.355 57 1HZ LYS 9 HZ1 LYS 9 3.092 12.310 -7.143 58 2HZ LYS 9 HZ2 LYS 9 4.009 12.876 -8.447 59 3HZ LYS 9 HZ3 LYS 9 2.360 12.558 -8.649 60 H ILE 10 HN ILE 10 3.711 13.768 -1.040 61 HA ILE 10 HA ILE 10 3.155 11.017 -1.452 62 HB ILE 10 HB ILE 10 4.525 10.675 0.634 63 1HG1 ILE 10 HG12 ILE 10 5.036 13.642 0.368 64 2HG1 ILE 10 HG11 ILE 10 4.043 12.911 1.626 65 1HG2 ILE 10 HG21 ILE 10 5.420 10.598 -1.661 66 2HG2 ILE 10 HG22 ILE 10 6.607 11.156 -0.481 67 3HG2 ILE 10 HG23 ILE 10 5.803 12.314 -1.541 68 1HD1 ILE 10 HD11 ILE 10 5.975 11.683 2.447 69 2HD1 ILE 10 HD12 ILE 10 6.274 13.422 2.434 70 3HD1 ILE 10 HD13 ILE 10 6.972 12.397 1.179 71 H ASP 11 HN ASP 11 2.261 13.307 1.115 72 HA ASP 11 HA ASP 11 1.101 11.614 2.942 73 1HB ASP 11 HB2 ASP 11 1.315 14.165 3.042 74 2HB ASP 11 HB1 ASP 11 -0.190 14.220 2.130 75 H ASP 12 HN ASP 12 -0.114 12.695 -0.145 76 HA ASP 12 HA ASP 12 -2.760 11.688 0.139 77 1HB ASP 12 HB2 ASP 12 -1.110 12.823 -2.014 78 2HB ASP 12 HB1 ASP 12 -2.273 11.622 -2.567 79 H ILE 13 HN ILE 13 0.205 10.435 -1.323 80 HA ILE 13 HA ILE 13 -0.814 7.979 -2.217 81 HB ILE 13 HB ILE 13 1.994 8.473 -1.223 82 1HG1 ILE 13 HG12 ILE 13 0.754 9.047 -3.919 83 2HG1 ILE 13 HG11 ILE 13 1.456 10.214 -2.804 84 1HG2 ILE 13 HG21 ILE 13 0.833 6.140 -2.044 85 2HG2 ILE 13 HG22 ILE 13 2.560 6.494 -2.107 86 3HG2 ILE 13 HG23 ILE 13 1.558 6.739 -3.536 87 1HD1 ILE 13 HD11 ILE 13 2.758 8.401 -4.721 88 2HD1 ILE 13 HD12 ILE 13 3.574 8.619 -3.173 89 3HD1 ILE 13 HD13 ILE 13 3.216 10.017 -4.186 90 H ASP 14 HN ASP 14 0.793 8.857 0.836 91 HA ASP 14 HA ASP 14 0.894 6.417 2.087 92 1HB ASP 14 HB2 ASP 14 1.502 8.903 2.865 93 2HB ASP 14 HB1 ASP 14 -0.012 8.715 3.744 94 H HIS 15 HN HIS 15 -1.896 8.457 1.545 95 HA HIS 15 HA HIS 15 -3.624 7.007 3.317 96 1HB HIS 15 HB2 HIS 15 -3.925 9.420 2.547 97 2HB HIS 15 HB1 HIS 15 -4.478 8.757 1.011 98 HD1 HIS 15 HD1 HIS 15 -5.533 6.783 3.911 99 HD2 HIS 15 HD2 HIS 15 -6.990 10.009 1.735 100 HE1 HIS 15 HE1 HIS 15 -7.960 6.977 4.539 101 HE2 HIS 15 HE2 HIS 15 -8.841 8.882 3.145 102 H GLU 16 HN GLU 16 -2.634 6.767 -0.002 103 HA GLU 16 HA GLU 16 -4.740 4.917 -0.704 104 1HB GLU 16 HB2 GLU 16 -2.283 5.525 -2.335 105 2HB GLU 16 HB1 GLU 16 -3.849 4.955 -2.900 106 1HG GLU 16 HG2 GLU 16 -3.584 7.613 -1.553 107 2HG GLU 16 HG1 GLU 16 -3.200 7.421 -3.263 108 H ILE 17 HN ILE 17 -1.348 4.827 0.157 109 HA ILE 17 HA ILE 17 -0.807 2.158 -0.560 110 HB ILE 17 HB ILE 17 0.482 3.669 1.711 111 1HG1 ILE 17 HG12 ILE 17 1.613 3.644 -1.052 112 2HG1 ILE 17 HG11 ILE 17 0.323 4.781 -0.685 113 1HG2 ILE 17 HG21 ILE 17 2.424 2.215 0.480 114 2HG2 ILE 17 HG22 ILE 17 1.023 1.159 0.302 115 3HG2 ILE 17 HG23 ILE 17 1.525 1.694 1.906 116 1HD1 ILE 17 HD11 ILE 17 1.741 6.143 0.320 117 2HD1 ILE 17 HD12 ILE 17 3.050 5.098 -0.229 118 3HD1 ILE 17 HD13 ILE 17 2.332 4.850 1.363 119 H ALA 18 HN ALA 18 -2.235 3.634 2.273 120 HA ALA 18 HA ALA 18 -2.172 1.231 3.856 121 1HB ALA 18 HB1 ALA 18 -2.566 3.964 4.356 122 2HB ALA 18 HB2 ALA 18 -2.531 2.646 5.528 123 3HB ALA 18 HB3 ALA 18 -4.064 3.160 4.823 124 H ASP 19 HN ASP 19 -4.540 2.948 1.882 125 HA ASP 19 HA ASP 19 -6.860 1.624 2.609 126 1HB ASP 19 HB2 ASP 19 -6.268 3.516 0.771 127 2HB ASP 19 HB1 ASP 19 -6.520 2.133 -0.289 128 H LEU 20 HN LEU 20 -4.409 0.669 0.236 129 HA LEU 20 HA LEU 20 -5.749 -1.687 -0.607 130 1HB LEU 20 HB2 LEU 20 -2.778 -1.288 -0.718 131 2HB LEU 20 HB1 LEU 20 -3.792 -2.218 -1.804 132 HG LEU 20 HG LEU 20 -3.465 0.763 -1.654 133 1HD1 LEU 20 HD11 LEU 20 -3.198 0.334 -4.164 134 2HD1 LEU 20 HD12 LEU 20 -3.029 -1.363 -3.718 135 3HD1 LEU 20 HD13 LEU 20 -1.891 -0.170 -3.094 136 1HD2 LEU 20 HD21 LEU 20 -5.296 1.047 -3.182 137 2HD2 LEU 20 HD22 LEU 20 -5.887 0.214 -1.744 138 3HD2 LEU 20 HD23 LEU 20 -5.585 -0.693 -3.227 139 H GLN 21 HN GLN 21 -3.041 -1.145 1.635 140 HA GLN 21 HA GLN 21 -2.528 -3.751 2.374 141 1HB GLN 21 HB2 GLN 21 -1.361 -1.549 3.072 142 2HB GLN 21 HB1 GLN 21 -2.511 -1.535 4.402 143 1HG GLN 21 HG2 GLN 21 -1.693 -3.704 5.146 144 2HG GLN 21 HG1 GLN 21 -0.554 -3.742 3.801 145 1HE2 GLN 21 HE21 GLN 21 -0.849 -3.112 6.997 146 2HE2 GLN 21 HE22 GLN 21 0.498 -2.054 7.218 147 H ALA 22 HN ALA 22 -5.111 -1.634 3.447 148 HA ALA 22 HA ALA 22 -5.998 -3.273 5.595 149 1HB ALA 22 HB1 ALA 22 -8.190 -1.889 5.111 150 2HB ALA 22 HB2 ALA 22 -7.088 -0.930 4.122 151 3HB ALA 22 HB3 ALA 22 -6.774 -1.136 5.845 152 H LYS 23 HN LYS 23 -6.764 -3.082 2.175 153 HA LYS 23 HA LYS 23 -9.046 -4.748 2.217 154 1HB LYS 23 HB2 LYS 23 -7.129 -3.850 0.100 155 2HB LYS 23 HB1 LYS 23 -8.291 -5.117 -0.267 156 1HG LYS 23 HG2 LYS 23 -10.069 -3.706 -0.197 157 2HG LYS 23 HG1 LYS 23 -9.324 -2.649 1.005 158 1HD LYS 23 HD2 LYS 23 -9.249 -1.320 -0.876 159 2HD LYS 23 HD1 LYS 23 -7.665 -2.096 -0.936 160 1HE LYS 23 HE2 LYS 23 -8.567 -2.211 -3.127 161 2HE LYS 23 HE1 LYS 23 -8.690 -3.830 -2.441 162 1HZ LYS 23 HZ1 LYS 23 -11.001 -3.487 -2.008 163 2HZ LYS 23 HZ2 LYS 23 -10.709 -3.099 -3.628 164 3HZ LYS 23 HZ3 LYS 23 -10.915 -1.865 -2.489 165 H ARG 24 HN ARG 24 -5.612 -5.402 2.096 166 HA ARG 24 HA ARG 24 -5.872 -8.151 1.347 167 1HB ARG 24 HB2 ARG 24 -3.722 -6.290 1.949 168 2HB ARG 24 HB1 ARG 24 -3.423 -7.875 2.648 169 1HG ARG 24 HG2 ARG 24 -4.113 -8.695 0.244 170 2HG ARG 24 HG1 ARG 24 -3.616 -7.061 -0.198 171 1HD ARG 24 HD2 ARG 24 -1.488 -7.676 -0.132 172 2HD ARG 24 HD1 ARG 24 -1.663 -8.135 1.560 173 HE ARG 24 HE ARG 24 -2.537 -10.072 -0.425 174 1HH1 ARG 24 HH11 ARG 24 -0.029 -9.035 1.776 175 2HH1 ARG 24 HH12 ARG 24 0.738 -10.586 1.824 176 1HH2 ARG 24 HH21 ARG 24 -1.524 -12.107 -0.361 177 2HH2 ARG 24 HH22 ARG 24 -0.109 -12.328 0.612 178 H THR 25 HN THR 25 -5.306 -6.460 4.419 179 HA THR 25 HA THR 25 -5.038 -8.722 6.046 180 HB THR 25 HB THR 25 -6.389 -6.365 7.214 181 HG1 THR 25 HG1 THR 25 -3.898 -6.218 5.892 182 1HG2 THR 25 HG21 THR 25 -5.414 -8.050 8.659 183 2HG2 THR 25 HG22 THR 25 -4.587 -6.503 8.844 184 3HG2 THR 25 HG23 THR 25 -3.838 -7.797 7.909 185 H ARG 26 HN ARG 26 -7.917 -6.683 5.524 186 HA ARG 26 HA ARG 26 -9.732 -8.110 7.030 187 1HB ARG 26 HB2 ARG 26 -11.474 -7.220 5.478 188 2HB ARG 26 HB1 ARG 26 -10.353 -5.999 6.065 189 1HG ARG 26 HG2 ARG 26 -10.256 -5.399 3.912 190 2HG ARG 26 HG1 ARG 26 -9.125 -6.745 3.777 191 1HD ARG 26 HD2 ARG 26 -10.718 -6.966 2.018 192 2HD ARG 26 HD1 ARG 26 -11.073 -8.212 3.214 193 HE ARG 26 HE ARG 26 -12.580 -5.790 3.574 194 1HH1 ARG 26 HH11 ARG 26 -12.461 -8.877 1.951 195 2HH1 ARG 26 HH12 ARG 26 -14.174 -8.961 1.717 196 1HH2 ARG 26 HH21 ARG 26 -14.834 -5.898 3.267 197 2HH2 ARG 26 HH22 ARG 26 -15.522 -7.271 2.464 198 H LEU 27 HN LEU 27 -8.708 -8.675 3.698 199 HA LEU 27 HA LEU 27 -10.472 -10.809 3.160 200 1HB LEU 27 HB2 LEU 27 -7.907 -9.837 1.977 201 2HB LEU 27 HB1 LEU 27 -8.506 -11.418 1.511 202 HG LEU 27 HG LEU 27 -10.111 -8.878 1.244 203 1HD1 LEU 27 HD11 LEU 27 -8.090 -8.817 -0.160 204 2HD1 LEU 27 HD12 LEU 27 -9.570 -8.927 -1.112 205 3HD1 LEU 27 HD13 LEU 27 -8.564 -10.357 -0.878 206 1HD2 LEU 27 HD21 LEU 27 -10.497 -11.678 0.197 207 2HD2 LEU 27 HD22 LEU 27 -11.457 -10.283 -0.296 208 3HD2 LEU 27 HD23 LEU 27 -11.499 -10.835 1.379 209 H VAL 28 HN VAL 28 -7.281 -10.631 4.638 210 HA VAL 28 HA VAL 28 -6.753 -13.408 4.697 211 HB VAL 28 HB VAL 28 -5.798 -11.352 6.685 212 1HG1 VAL 28 HG11 VAL 28 -5.019 -13.245 7.634 213 2HG1 VAL 28 HG12 VAL 28 -3.768 -13.099 6.399 214 3HG1 VAL 28 HG13 VAL 28 -5.144 -14.172 6.138 215 1HG2 VAL 28 HG21 VAL 28 -3.791 -11.887 4.792 216 2HG2 VAL 28 HG22 VAL 28 -4.671 -10.379 5.034 217 3HG2 VAL 28 HG23 VAL 28 -5.264 -11.570 3.877 218 H GLN 29 HN GLN 29 -8.223 -11.203 7.046 219 HA GLN 29 HA GLN 29 -8.620 -12.941 9.159 220 1HB GLN 29 HB2 GLN 29 -10.286 -10.638 8.151 221 2HB GLN 29 HB1 GLN 29 -10.696 -11.514 9.619 222 1HG GLN 29 HG2 GLN 29 -9.100 -10.509 10.812 223 2HG GLN 29 HG1 GLN 29 -7.916 -10.627 9.512 224 1HE2 GLN 29 HE21 GLN 29 -7.156 -8.564 9.674 225 2HE2 GLN 29 HE22 GLN 29 -8.096 -7.167 9.287 226 H GLN 30 HN GLN 30 -10.295 -12.689 6.118 227 HA GLN 30 HA GLN 30 -12.502 -14.358 6.847 228 1HB GLN 30 HB2 GLN 30 -11.432 -13.532 4.142 229 2HB GLN 30 HB1 GLN 30 -12.932 -14.415 4.391 230 1HG GLN 30 HG2 GLN 30 -12.348 -11.684 5.512 231 2HG GLN 30 HG1 GLN 30 -13.253 -11.994 4.031 232 1HE2 GLN 30 HE21 GLN 30 -15.366 -12.423 4.162 233 2HE2 GLN 30 HE22 GLN 30 -16.246 -12.629 5.634 234 H HIS 31 HN HIS 31 -9.291 -14.857 5.549 235 HA HIS 31 HA HIS 31 -9.675 -17.734 5.858 236 1HB HIS 31 HB2 HIS 31 -8.725 -18.286 3.705 237 2HB HIS 31 HB1 HIS 31 -10.124 -17.245 3.470 238 HD1 HIS 31 HD1 HIS 31 -9.465 -14.621 3.072 239 HD2 HIS 31 HD2 HIS 31 -6.492 -17.441 2.414 240 HE1 HIS 31 HE1 HIS 31 -7.760 -13.478 1.626 241 HE2 HIS 31 HE2 HIS 31 -5.879 -15.140 1.425 242 HA PRO 32 HA PRO 32 -5.570 -16.057 7.374 243 1HB PRO 32 HB2 PRO 32 -5.857 -16.709 9.978 244 2HB PRO 32 HB1 PRO 32 -6.469 -15.190 9.312 245 1HG PRO 32 HG2 PRO 32 -7.943 -17.727 9.904 246 2HG PRO 32 HG1 PRO 32 -8.426 -16.052 10.227 247 1HD PRO 32 HD2 PRO 32 -9.344 -17.480 8.099 248 2HD PRO 32 HD1 PRO 32 -9.151 -15.716 8.071 249 H ARG 33 HN ARG 33 -7.355 -19.024 7.950 250 HA ARG 33 HA ARG 33 -4.965 -20.535 8.573 251 1HB ARG 33 HB2 ARG 33 -7.704 -21.659 8.013 252 2HB ARG 33 HB1 ARG 33 -6.405 -22.388 8.945 253 1HG ARG 33 HG2 ARG 33 -7.985 -19.948 9.728 254 2HG ARG 33 HG1 ARG 33 -8.175 -21.572 10.393 255 1HD ARG 33 HD2 ARG 33 -5.510 -21.149 10.745 256 2HD ARG 33 HD1 ARG 33 -6.153 -19.521 10.956 257 HE ARG 33 HE ARG 33 -7.105 -20.186 12.932 258 1HH1 ARG 33 HH11 ARG 33 -6.122 -23.012 11.135 259 2HH1 ARG 33 HH12 ARG 33 -6.425 -24.104 12.444 260 1HH2 ARG 33 HH21 ARG 33 -7.505 -21.621 14.655 261 2HH2 ARG 33 HH22 ARG 33 -7.212 -23.315 14.442 262 H CYS 1 HN CYS 1 -10.133 -22.270 4.358 263 HA CYS 1 HA CYS 1 -7.858 -21.594 4.332 264 1HB CYS 1 HB2 CYS 1 -8.478 -24.130 3.664 265 2HB CYS 1 HB1 CYS 1 -7.584 -23.659 2.222 266 HG CYS 1 HG CYS 1 -5.909 -22.953 4.562 267 H GLY 2 HN GLY 2 -5.867 -21.473 2.749 268 1HA GLY 2 HA2 GLY 2 -6.542 -19.392 0.848 269 2HA GLY 2 HA1 GLY 2 -4.925 -19.906 1.307 270 H GLY 3 HN GLY 3 -4.497 -19.714 -1.018 271 1HA GLY 3 HA2 GLY 3 -4.294 -20.559 -3.153 272 2HA GLY 3 HA1 GLY 3 -4.188 -22.101 -2.317 273 H ASP 4 HN ASP 4 -6.955 -19.905 -2.589 274 HA ASP 4 HA ASP 4 -8.361 -21.975 -4.132 275 1HB ASP 4 HB2 ASP 4 -9.301 -20.449 -1.708 276 2HB ASP 4 HB1 ASP 4 -10.431 -21.222 -2.818 277 H ASN 5 HN ASN 5 -9.588 -18.923 -2.919 278 HA ASN 5 HA ASN 5 -9.461 -17.714 -5.574 279 1HB ASN 5 HB2 ASN 5 -11.904 -18.635 -4.225 280 2HB ASN 5 HB1 ASN 5 -11.973 -16.950 -4.735 281 1HD2 ASN 5 HD21 ASN 5 -10.574 -16.938 -7.037 282 2HD2 ASN 5 HD22 ASN 5 -11.342 -17.937 -8.218 283 H ILE 6 HN ILE 6 -10.358 -17.379 -2.174 284 HA ILE 6 HA ILE 6 -10.279 -14.562 -2.052 285 HB ILE 6 HB ILE 6 -9.493 -16.282 0.278 286 1HG1 ILE 6 HG12 ILE 6 -12.243 -16.020 -0.944 287 2HG1 ILE 6 HG11 ILE 6 -11.367 -17.496 -0.549 288 1HG2 ILE 6 HG21 ILE 6 -10.606 -14.598 1.567 289 2HG2 ILE 6 HG22 ILE 6 -11.207 -13.819 0.103 290 3HG2 ILE 6 HG23 ILE 6 -9.479 -13.828 0.453 291 1HD1 ILE 6 HD11 ILE 6 -12.691 -15.567 1.326 292 2HD1 ILE 6 HD12 ILE 6 -11.546 -16.793 1.871 293 3HD1 ILE 6 HD13 ILE 6 -13.044 -17.277 1.077 294 H GLU 7 HN GLU 7 -7.914 -17.054 -1.247 295 HA GLU 7 HA GLU 7 -5.803 -15.419 -0.464 296 1HB GLU 7 HB2 GLU 7 -6.173 -18.100 -0.658 297 2HB GLU 7 HB1 GLU 7 -5.066 -17.832 -1.998 298 1HG GLU 7 HG2 GLU 7 -4.151 -16.405 0.308 299 2HG GLU 7 HG1 GLU 7 -4.452 -18.090 0.726 300 H GLN 8 HN GLN 8 -6.908 -16.304 -3.664 301 HA GLN 8 HA GLN 8 -4.596 -15.281 -5.020 302 1HB GLN 8 HB2 GLN 8 -6.551 -16.979 -5.764 303 2HB GLN 8 HB1 GLN 8 -7.173 -15.494 -6.470 304 1HG GLN 8 HG2 GLN 8 -5.146 -15.200 -7.741 305 2HG GLN 8 HG1 GLN 8 -4.421 -16.607 -6.965 306 1HE2 GLN 8 HE21 GLN 8 -4.734 -18.553 -7.838 307 2HE2 GLN 8 HE22 GLN 8 -5.795 -18.892 -9.159 308 H LYS 9 HN LYS 9 -7.747 -14.063 -4.090 309 HA LYS 9 HA LYS 9 -7.736 -11.704 -5.623 310 1HB LYS 9 HB2 LYS 9 -9.559 -12.907 -4.031 311 2HB LYS 9 HB1 LYS 9 -9.035 -11.608 -2.967 312 1HG LYS 9 HG2 LYS 9 -10.128 -10.060 -4.139 313 2HG LYS 9 HG1 LYS 9 -9.573 -10.707 -5.683 314 1HD LYS 9 HD2 LYS 9 -11.743 -11.253 -5.950 315 2HD LYS 9 HD1 LYS 9 -11.321 -12.632 -4.932 316 1HE LYS 9 HE2 LYS 9 -11.909 -11.062 -2.966 317 2HE LYS 9 HE1 LYS 9 -12.733 -10.097 -4.189 318 1HZ LYS 9 HZ1 LYS 9 -14.439 -11.442 -3.664 319 2HZ LYS 9 HZ2 LYS 9 -13.449 -12.682 -3.079 320 3HZ LYS 9 HZ3 LYS 9 -13.694 -12.511 -4.744 321 H ILE 10 HN ILE 10 -6.458 -12.460 -2.425 322 HA ILE 10 HA ILE 10 -5.755 -9.770 -1.794 323 HB ILE 10 HB ILE 10 -4.273 -10.813 -0.063 324 1HG1 ILE 10 HG12 ILE 10 -5.612 -13.389 -0.897 325 2HG1 ILE 10 HG11 ILE 10 -3.951 -12.969 -1.303 326 1HG2 ILE 10 HG21 ILE 10 -6.616 -10.090 0.318 327 2HG2 ILE 10 HG22 ILE 10 -6.094 -11.396 1.381 328 3HG2 ILE 10 HG23 ILE 10 -7.133 -11.746 0.000 329 1HD1 ILE 10 HD11 ILE 10 -3.410 -12.854 1.079 330 2HD1 ILE 10 HD12 ILE 10 -4.013 -14.442 0.605 331 3HD1 ILE 10 HD13 ILE 10 -5.066 -13.319 1.466 332 H ASP 11 HN ASP 11 -3.954 -12.541 -3.107 333 HA ASP 11 HA ASP 11 -1.399 -11.498 -3.104 334 1HB ASP 11 HB2 ASP 11 -2.845 -13.402 -4.900 335 2HB ASP 11 HB1 ASP 11 -1.255 -12.827 -5.394 336 H ASP 12 HN ASP 12 -4.095 -10.796 -5.196 337 HA ASP 12 HA ASP 12 -2.669 -9.301 -7.150 338 1HB ASP 12 HB2 ASP 12 -5.528 -9.666 -6.396 339 2HB ASP 12 HB1 ASP 12 -5.120 -8.229 -7.331 340 H ILE 13 HN ILE 13 -4.515 -8.429 -4.263 341 HA ILE 13 HA ILE 13 -4.139 -5.655 -4.400 342 HB ILE 13 HB ILE 13 -4.397 -7.308 -1.885 343 1HG1 ILE 13 HG12 ILE 13 -6.516 -6.218 -3.745 344 2HG1 ILE 13 HG11 ILE 13 -6.194 -7.909 -3.379 345 1HG2 ILE 13 HG21 ILE 13 -3.969 -4.584 -2.214 346 2HG2 ILE 13 HG22 ILE 13 -4.555 -5.392 -0.759 347 3HG2 ILE 13 HG23 ILE 13 -5.702 -4.722 -1.920 348 1HD1 ILE 13 HD11 ILE 13 -6.680 -6.761 -0.908 349 2HD1 ILE 13 HD12 ILE 13 -7.788 -7.757 -1.852 350 3HD1 ILE 13 HD13 ILE 13 -7.848 -6.000 -1.988 351 H ASP 14 HN ASP 14 -2.270 -8.186 -2.740 352 HA ASP 14 HA ASP 14 -0.395 -6.679 -1.423 353 1HB ASP 14 HB2 ASP 14 -0.721 -9.320 -1.797 354 2HB ASP 14 HB1 ASP 14 0.650 -9.051 -2.869 355 H HIS 15 HN HIS 15 -0.613 -7.342 -4.852 356 HA HIS 15 HA HIS 15 1.996 -6.322 -5.472 357 1HB HIS 15 HB2 HIS 15 0.519 -7.963 -6.847 358 2HB HIS 15 HB1 HIS 15 -0.263 -6.503 -7.446 359 HD1 HIS 15 HD1 HIS 15 3.022 -5.408 -7.064 360 HD2 HIS 15 HD2 HIS 15 1.196 -7.986 -9.762 361 HE1 HIS 15 HE1 HIS 15 4.546 -5.479 -9.062 362 HE2 HIS 15 HE2 HIS 15 3.465 -7.113 -10.645 363 H GLU 16 HN GLU 16 -1.213 -5.026 -5.132 364 HA GLU 16 HA GLU 16 -0.538 -2.512 -6.386 365 1HB GLU 16 HB2 GLU 16 -2.998 -3.064 -4.745 366 2HB GLU 16 HB1 GLU 16 -2.793 -1.888 -6.037 367 1HG GLU 16 HG2 GLU 16 -2.843 -3.548 -7.698 368 2HG GLU 16 HG1 GLU 16 -2.606 -4.843 -6.523 369 H ILE 17 HN ILE 17 -0.867 -3.815 -3.156 370 HA ILE 17 HA ILE 17 -0.844 -1.400 -1.713 371 HB ILE 17 HB ILE 17 0.297 -4.034 -0.775 372 1HG1 ILE 17 HG12 ILE 17 -2.523 -3.207 -0.238 373 2HG1 ILE 17 HG11 ILE 17 -2.141 -3.943 -1.789 374 1HG2 ILE 17 HG21 ILE 17 -0.960 -2.876 1.345 375 2HG2 ILE 17 HG22 ILE 17 -0.330 -1.467 0.490 376 3HG2 ILE 17 HG23 ILE 17 0.767 -2.750 1.003 377 1HD1 ILE 17 HD11 ILE 17 -2.701 -5.224 0.626 378 2HD1 ILE 17 HD12 ILE 17 -0.979 -5.469 0.339 379 3HD1 ILE 17 HD13 ILE 17 -2.155 -5.956 -0.881 380 H ALA 18 HN ALA 18 1.693 -3.420 -3.037 381 HA ALA 18 HA ALA 18 3.838 -2.024 -1.731 382 1HB ALA 18 HB1 ALA 18 5.067 -3.382 -3.714 383 2HB ALA 18 HB2 ALA 18 3.572 -4.308 -3.570 384 3HB ALA 18 HB3 ALA 18 4.616 -4.093 -2.164 385 H ASP 19 HN ASP 19 2.289 -1.937 -4.897 386 HA ASP 19 HA ASP 19 4.131 -0.404 -6.299 387 1HB ASP 19 HB2 ASP 19 1.138 -0.636 -6.462 388 2HB ASP 19 HB1 ASP 19 2.015 0.467 -7.518 389 H LEU 20 HN LEU 20 1.409 0.685 -4.294 390 HA LEU 20 HA LEU 20 1.836 3.443 -4.644 391 1HB LEU 20 HB2 LEU 20 0.694 2.244 -2.141 392 2HB LEU 20 HB1 LEU 20 0.306 3.782 -2.888 393 HG LEU 20 HG LEU 20 -0.529 1.033 -3.770 394 1HD1 LEU 20 HD11 LEU 20 -1.987 1.912 -2.144 395 2HD1 LEU 20 HD12 LEU 20 -2.778 2.189 -3.695 396 3HD1 LEU 20 HD13 LEU 20 -1.960 3.518 -2.873 397 1HD2 LEU 20 HD21 LEU 20 -0.210 3.495 -5.364 398 2HD2 LEU 20 HD22 LEU 20 -1.742 2.641 -5.552 399 3HD2 LEU 20 HD23 LEU 20 -0.222 1.805 -5.870 400 H GLN 21 HN GLN 21 2.811 1.281 -1.987 401 HA GLN 21 HA GLN 21 4.116 3.082 -0.373 402 1HB GLN 21 HB2 GLN 21 3.725 0.625 0.062 403 2HB GLN 21 HB1 GLN 21 5.137 0.297 -0.933 404 1HG GLN 21 HG2 GLN 21 6.115 2.135 0.820 405 2HG GLN 21 HG1 GLN 21 4.951 1.265 1.819 406 1HE2 GLN 21 HE21 GLN 21 7.362 0.988 2.686 407 2HE2 GLN 21 HE22 GLN 21 8.075 -0.524 2.252 408 H ALA 22 HN ALA 22 5.174 1.737 -3.411 409 HA ALA 22 HA ALA 22 7.907 2.539 -3.167 410 1HB ALA 22 HB1 ALA 22 8.219 1.513 -5.156 411 2HB ALA 22 HB2 ALA 22 6.763 2.208 -5.867 412 3HB ALA 22 HB3 ALA 22 6.642 0.813 -4.794 413 H LYS 23 HN LYS 23 4.973 3.994 -4.409 414 HA LYS 23 HA LYS 23 6.190 6.128 -5.813 415 1HB LYS 23 HB2 LYS 23 3.466 6.232 -4.529 416 2HB LYS 23 HB1 LYS 23 4.021 7.087 -5.961 417 1HG LYS 23 HG2 LYS 23 3.467 4.144 -5.693 418 2HG LYS 23 HG1 LYS 23 2.573 5.325 -6.651 419 1HD LYS 23 HD2 LYS 23 4.727 5.709 -7.932 420 2HD LYS 23 HD1 LYS 23 5.355 4.275 -7.119 421 1HE LYS 23 HE2 LYS 23 2.972 3.355 -8.029 422 2HE LYS 23 HE1 LYS 23 3.386 4.515 -9.291 423 1HZ LYS 23 HZ1 LYS 23 4.640 1.986 -8.613 424 2HZ LYS 23 HZ2 LYS 23 5.704 3.241 -9.007 425 3HZ LYS 23 HZ3 LYS 23 4.513 2.766 -10.109 426 H ARG 24 HN ARG 24 5.242 5.686 -2.460 427 HA ARG 24 HA ARG 24 5.507 8.412 -1.699 428 1HB ARG 24 HB2 ARG 24 4.996 5.856 -0.386 429 2HB ARG 24 HB1 ARG 24 5.976 6.936 0.596 430 1HG ARG 24 HG2 ARG 24 4.160 8.698 -0.012 431 2HG ARG 24 HG1 ARG 24 3.180 7.277 -0.375 432 1HD ARG 24 HD2 ARG 24 2.728 7.066 1.785 433 2HD ARG 24 HD1 ARG 24 4.441 6.790 2.098 434 HE ARG 24 HE ARG 24 3.595 9.560 1.898 435 1HH1 ARG 24 HH11 ARG 24 4.317 6.858 3.992 436 2HH1 ARG 24 HH12 ARG 24 4.585 7.850 5.384 437 1HH2 ARG 24 HH21 ARG 24 3.946 10.862 3.731 438 2HH2 ARG 24 HH22 ARG 24 4.371 10.121 5.237 439 H THR 25 HN THR 25 7.683 5.614 -1.460 440 HA THR 25 HA THR 25 9.783 6.901 -0.126 441 HB THR 25 HB THR 25 10.529 4.847 -2.107 442 HG1 THR 25 HG1 THR 25 8.846 3.673 -1.686 443 1HG2 THR 25 HG21 THR 25 11.426 3.743 -0.043 444 2HG2 THR 25 HG22 THR 25 10.929 5.184 0.845 445 3HG2 THR 25 HG23 THR 25 12.129 5.310 -0.441 446 H ARG 26 HN ARG 26 9.404 6.258 -3.613 447 HA ARG 26 HA ARG 26 11.699 7.491 -4.522 448 1HB ARG 26 HB2 ARG 26 10.555 7.769 -6.666 449 2HB ARG 26 HB1 ARG 26 10.213 6.192 -5.970 450 1HG ARG 26 HG2 ARG 26 8.036 6.982 -5.217 451 2HG ARG 26 HG1 ARG 26 8.380 8.579 -5.884 452 1HD ARG 26 HD2 ARG 26 8.855 7.003 -8.038 453 2HD ARG 26 HD1 ARG 26 7.576 6.094 -7.235 454 HE ARG 26 HE ARG 26 6.090 7.749 -7.790 455 1HH1 ARG 26 HH11 ARG 26 9.340 8.923 -8.282 456 2HH1 ARG 26 HH12 ARG 26 8.829 10.373 -9.077 457 1HH2 ARG 26 HH21 ARG 26 5.417 9.656 -8.836 458 2HH2 ARG 26 HH22 ARG 26 6.601 10.791 -9.392 459 H LEU 27 HN LEU 27 8.542 8.945 -3.848 460 HA LEU 27 HA LEU 27 9.196 11.555 -4.681 461 1HB LEU 27 HB2 LEU 27 7.046 10.271 -3.162 462 2HB LEU 27 HB1 LEU 27 7.373 11.917 -2.652 463 HG LEU 27 HG LEU 27 7.199 12.495 -5.173 464 1HD1 LEU 27 HD11 LEU 27 5.780 11.044 -6.470 465 2HD1 LEU 27 HD12 LEU 27 5.645 9.914 -5.123 466 3HD1 LEU 27 HD13 LEU 27 7.196 10.145 -5.928 467 1HD2 LEU 27 HD21 LEU 27 5.600 13.377 -3.701 468 2HD2 LEU 27 HD22 LEU 27 4.907 11.791 -3.366 469 3HD2 LEU 27 HD23 LEU 27 4.662 12.545 -4.941 470 H VAL 28 HN VAL 28 9.659 9.821 -1.654 471 HA VAL 28 HA VAL 28 10.407 12.038 -0.071 472 HB VAL 28 HB VAL 28 11.367 9.195 0.229 473 1HG1 VAL 28 HG11 VAL 28 12.228 11.392 1.571 474 2HG1 VAL 28 HG12 VAL 28 12.228 9.756 2.227 475 3HG1 VAL 28 HG13 VAL 28 10.902 10.856 2.602 476 1HG2 VAL 28 HG21 VAL 28 9.285 9.770 2.049 477 2HG2 VAL 28 HG22 VAL 28 9.281 8.610 0.722 478 3HG2 VAL 28 HG23 VAL 28 8.726 10.261 0.449 479 H GLN 29 HN GLN 29 12.279 9.740 -2.007 480 HA GLN 29 HA GLN 29 14.846 10.587 -1.416 481 1HB GLN 29 HB2 GLN 29 13.556 9.283 -3.754 482 2HB GLN 29 HB1 GLN 29 15.146 9.985 -4.018 483 1HG GLN 29 HG2 GLN 29 15.403 7.675 -3.467 484 2HG GLN 29 HG1 GLN 29 16.006 8.648 -2.127 485 1HE2 GLN 29 HE21 GLN 29 14.884 8.673 -0.187 486 2HE2 GLN 29 HE22 GLN 29 13.669 7.505 0.193 487 H GLN 30 HN GLN 30 12.393 12.053 -3.401 488 HA GLN 30 HA GLN 30 14.125 13.958 -4.658 489 1HB GLN 30 HB2 GLN 30 11.118 13.870 -4.360 490 2HB GLN 30 HB1 GLN 30 11.982 15.059 -5.324 491 1HG GLN 30 HG2 GLN 30 12.368 12.139 -5.823 492 2HG GLN 30 HG1 GLN 30 10.966 12.986 -6.475 493 1HE2 GLN 30 HE21 GLN 30 11.848 15.328 -7.295 494 2HE2 GLN 30 HE22 GLN 30 13.090 15.171 -8.484 495 H HIS 31 HN HIS 31 12.268 13.802 -1.702 496 HA HIS 31 HA HIS 31 13.455 16.345 -0.889 497 1HB HIS 31 HB2 HIS 31 11.384 17.235 -0.023 498 2HB HIS 31 HB1 HIS 31 11.177 16.861 -1.729 499 HD1 HIS 31 HD1 HIS 31 9.854 14.566 -2.225 500 HD2 HIS 31 HD2 HIS 31 9.554 16.071 1.632 501 HE1 HIS 31 HE1 HIS 31 7.850 13.441 -1.219 502 HE2 HIS 31 HE2 HIS 31 7.820 14.213 1.177 503 HA PRO 32 HA PRO 32 13.553 12.914 2.325 504 1HB PRO 32 HB2 PRO 32 16.248 12.905 2.662 505 2HB PRO 32 HB1 PRO 32 15.428 11.913 1.450 506 1HG PRO 32 HG2 PRO 32 16.828 14.539 1.116 507 2HG PRO 32 HG1 PRO 32 16.894 13.096 0.086 508 1HD PRO 32 HD2 PRO 32 15.364 15.242 -0.522 509 2HD PRO 32 HD1 PRO 32 14.888 13.584 -0.943 510 H ARG 33 HN ARG 33 15.067 16.057 2.006 511 HA ARG 33 HA ARG 33 14.681 16.473 4.893 512 1HB ARG 33 HB2 ARG 33 16.725 17.912 4.871 513 2HB ARG 33 HB1 ARG 33 17.046 16.203 4.605 514 1HG ARG 33 HG2 ARG 33 16.757 17.107 2.053 515 2HG ARG 33 HG1 ARG 33 17.490 18.500 2.849 516 1HD ARG 33 HD2 ARG 33 18.746 15.988 3.606 517 2HD ARG 33 HD1 ARG 33 18.819 16.284 1.870 518 HE ARG 33 HE ARG 33 20.263 17.665 3.911 519 1HH1 ARG 33 HH11 ARG 33 18.842 18.020 0.742 520 2HH1 ARG 33 HH12 ARG 33 19.910 19.298 0.270 521 1HH2 ARG 33 HH21 ARG 33 21.667 19.347 3.291 522 2HH2 ARG 33 HH22 ARG 33 21.515 20.051 1.715 Start of MODEL 31 1 H CYS 1 HT1 CYS 1 9.777 25.853 -7.123 2 HA CYS 1 HA CYS 1 10.001 26.645 -4.969 3 1HB CYS 1 HB2 CYS 1 8.288 28.091 -3.951 4 2HB CYS 1 HB1 CYS 1 8.998 28.844 -5.373 5 HG CYS 1 HG CYS 1 6.233 28.859 -5.124 6 H GLY 2 HN GLY 2 8.608 26.016 -3.004 7 1HA GLY 2 HA2 GLY 2 6.300 24.609 -2.972 8 2HA GLY 2 HA1 GLY 2 7.448 23.434 -3.595 9 H GLY 3 HN GLY 3 6.328 25.151 -0.818 10 1HA GLY 3 HA2 GLY 3 8.493 24.251 0.887 11 2HA GLY 3 HA1 GLY 3 7.071 25.152 1.391 12 H ASP 4 HN ASP 4 8.497 22.040 1.005 13 HA ASP 4 HA ASP 4 7.921 19.976 1.768 14 1HB ASP 4 HB2 ASP 4 5.818 21.484 3.321 15 2HB ASP 4 HB1 ASP 4 6.318 19.821 3.615 16 H ASN 5 HN ASN 5 6.396 21.428 -0.489 17 HA ASN 5 HA ASN 5 3.778 20.511 -0.652 18 1HB ASN 5 HB2 ASN 5 5.447 21.937 -2.304 19 2HB ASN 5 HB1 ASN 5 5.238 20.437 -3.202 20 1HD2 ASN 5 HD21 ASN 5 2.625 19.830 -2.377 21 2HD2 ASN 5 HD22 ASN 5 1.555 20.989 -3.082 22 H ILE 6 HN ILE 6 6.780 18.854 -1.012 23 HA ILE 6 HA ILE 6 5.703 16.535 -2.323 24 HB ILE 6 HB ILE 6 8.311 16.730 -0.829 25 1HG1 ILE 6 HG12 ILE 6 7.865 17.337 -3.758 26 2HG1 ILE 6 HG11 ILE 6 8.018 18.577 -2.519 27 1HG2 ILE 6 HG21 ILE 6 7.564 15.037 -3.200 28 2HG2 ILE 6 HG22 ILE 6 7.468 14.492 -1.527 29 3HG2 ILE 6 HG23 ILE 6 9.027 14.935 -2.222 30 1HD1 ILE 6 HD11 ILE 6 10.070 17.783 -3.968 31 2HD1 ILE 6 HD12 ILE 6 10.166 16.545 -2.714 32 3HD1 ILE 6 HD13 ILE 6 10.252 18.253 -2.278 33 H GLU 7 HN GLU 7 6.748 17.388 0.942 34 HA GLU 7 HA GLU 7 6.341 14.931 2.190 35 1HB GLU 7 HB2 GLU 7 7.339 17.219 3.054 36 2HB GLU 7 HB1 GLU 7 5.703 17.459 3.650 37 1HG GLU 7 HG2 GLU 7 5.837 15.661 5.115 38 2HG GLU 7 HG1 GLU 7 7.202 14.944 4.259 39 H GLN 8 HN GLN 8 4.080 17.398 1.225 40 HA GLN 8 HA GLN 8 1.886 16.322 2.750 41 1HB GLN 8 HB2 GLN 8 2.335 18.765 1.734 42 2HB GLN 8 HB1 GLN 8 1.387 18.091 0.415 43 1HG GLN 8 HG2 GLN 8 -0.359 17.483 2.110 44 2HG GLN 8 HG1 GLN 8 0.563 18.418 3.286 45 1HE2 GLN 8 HE21 GLN 8 -2.108 18.921 2.455 46 2HE2 GLN 8 HE22 GLN 8 -2.136 20.475 1.702 47 H LYS 9 HN LYS 9 3.068 16.173 -0.555 48 HA LYS 9 HA LYS 9 0.879 14.838 -1.704 49 1HB LYS 9 HB2 LYS 9 3.241 15.860 -2.638 50 2HB LYS 9 HB1 LYS 9 3.519 14.130 -2.787 51 1HG LYS 9 HG2 LYS 9 2.060 13.908 -4.476 52 2HG LYS 9 HG1 LYS 9 0.914 15.054 -3.777 53 1HD LYS 9 HD2 LYS 9 3.507 15.900 -5.052 54 2HD LYS 9 HD1 LYS 9 1.999 15.750 -5.955 55 1HE LYS 9 HE2 LYS 9 2.240 17.434 -3.477 56 2HE LYS 9 HE1 LYS 9 2.591 18.064 -5.086 57 1HZ LYS 9 HZ1 LYS 9 0.210 16.974 -5.508 58 2HZ LYS 9 HZ2 LYS 9 0.414 18.579 -5.013 59 3HZ LYS 9 HZ3 LYS 9 0.037 17.385 -3.876 60 H ILE 10 HN ILE 10 3.722 13.669 0.016 61 HA ILE 10 HA ILE 10 3.276 10.916 -0.558 62 HB ILE 10 HB ILE 10 4.766 10.507 1.427 63 1HG1 ILE 10 HG12 ILE 10 5.157 13.503 1.338 64 2HG1 ILE 10 HG11 ILE 10 4.229 12.661 2.576 65 1HG2 ILE 10 HG21 ILE 10 6.776 11.619 0.231 66 2HG2 ILE 10 HG22 ILE 10 5.574 12.107 -0.965 67 3HG2 ILE 10 HG23 ILE 10 5.834 10.396 -0.622 68 1HD1 ILE 10 HD11 ILE 10 6.226 11.446 3.252 69 2HD1 ILE 10 HD12 ILE 10 6.465 13.190 3.350 70 3HD1 ILE 10 HD13 ILE 10 7.156 12.279 2.007 71 H ASP 11 HN ASP 11 2.437 13.009 2.190 72 HA ASP 11 HA ASP 11 1.422 11.134 3.940 73 1HB ASP 11 HB2 ASP 11 1.524 13.834 3.946 74 2HB ASP 11 HB1 ASP 11 -0.193 13.604 3.627 75 H ASP 12 HN ASP 12 0.039 12.453 1.024 76 HA ASP 12 HA ASP 12 -2.587 11.415 1.354 77 1HB ASP 12 HB2 ASP 12 -0.998 12.554 -0.893 78 2HB ASP 12 HB1 ASP 12 -2.390 11.563 -1.318 79 H ILE 13 HN ILE 13 0.309 10.272 -0.321 80 HA ILE 13 HA ILE 13 -0.767 7.875 -1.314 81 HB ILE 13 HB ILE 13 2.099 8.367 -0.498 82 1HG1 ILE 13 HG12 ILE 13 0.675 8.959 -3.099 83 2HG1 ILE 13 HG11 ILE 13 1.366 10.138 -1.989 84 1HG2 ILE 13 HG21 ILE 13 2.611 6.396 -1.410 85 2HG2 ILE 13 HG22 ILE 13 1.616 6.708 -2.831 86 3HG2 ILE 13 HG23 ILE 13 0.884 6.044 -1.371 87 1HD1 ILE 13 HD11 ILE 13 3.331 8.197 -2.830 88 2HD1 ILE 13 HD12 ILE 13 3.366 9.958 -2.922 89 3HD1 ILE 13 HD13 ILE 13 2.590 9.022 -4.201 90 H ASP 14 HN ASP 14 0.976 8.609 1.697 91 HA ASP 14 HA ASP 14 1.214 6.106 2.797 92 1HB ASP 14 HB2 ASP 14 1.743 8.584 3.693 93 2HB ASP 14 HB1 ASP 14 0.299 8.245 4.643 94 H HIS 15 HN HIS 15 -1.658 8.076 2.493 95 HA HIS 15 HA HIS 15 -3.267 6.456 4.231 96 1HB HIS 15 HB2 HIS 15 -3.573 8.958 3.433 97 2HB HIS 15 HB1 HIS 15 -4.457 8.199 2.112 98 HD1 HIS 15 HD1 HIS 15 -5.349 5.940 4.478 99 HD2 HIS 15 HD2 HIS 15 -6.197 9.992 4.133 100 HE1 HIS 15 HE1 HIS 15 -7.429 6.309 5.842 101 HE2 HIS 15 HE2 HIS 15 -7.870 8.785 5.693 102 H GLU 16 HN GLU 16 -2.430 6.500 0.855 103 HA GLU 16 HA GLU 16 -4.511 4.632 0.120 104 1HB GLU 16 HB2 GLU 16 -2.161 5.411 -1.590 105 2HB GLU 16 HB1 GLU 16 -3.752 4.863 -2.106 106 1HG GLU 16 HG2 GLU 16 -3.420 7.425 -0.593 107 2HG GLU 16 HG1 GLU 16 -3.159 7.352 -2.336 108 H ILE 17 HN ILE 17 -1.111 4.577 0.904 109 HA ILE 17 HA ILE 17 -0.508 1.992 -0.064 110 HB ILE 17 HB ILE 17 0.807 3.380 2.274 111 1HG1 ILE 17 HG12 ILE 17 1.856 3.553 -0.518 112 2HG1 ILE 17 HG11 ILE 17 0.555 4.634 -0.037 113 1HG2 ILE 17 HG21 ILE 17 2.762 2.065 0.947 114 2HG2 ILE 17 HG22 ILE 17 1.391 0.991 0.665 115 3HG2 ILE 17 HG23 ILE 17 1.868 1.397 2.314 116 1HD1 ILE 17 HD11 ILE 17 3.299 4.964 0.363 117 2HD1 ILE 17 HD12 ILE 17 2.613 4.632 1.954 118 3HD1 ILE 17 HD13 ILE 17 1.990 5.967 0.985 119 H ALA 18 HN ALA 18 -1.836 3.208 2.941 120 HA ALA 18 HA ALA 18 -1.681 0.691 4.320 121 1HB ALA 18 HB1 ALA 18 -2.561 3.425 4.939 122 2HB ALA 18 HB2 ALA 18 -1.687 2.258 5.932 123 3HB ALA 18 HB3 ALA 18 -3.440 2.146 5.778 124 H ASP 19 HN ASP 19 -4.125 2.483 2.530 125 HA ASP 19 HA ASP 19 -6.407 1.082 3.241 126 1HB ASP 19 HB2 ASP 19 -5.698 2.985 1.285 127 2HB ASP 19 HB1 ASP 19 -6.453 1.654 0.415 128 H LEU 20 HN LEU 20 -4.010 0.314 0.748 129 HA LEU 20 HA LEU 20 -5.343 -2.002 -0.207 130 1HB LEU 20 HB2 LEU 20 -2.380 -1.571 -0.376 131 2HB LEU 20 HB1 LEU 20 -3.426 -2.418 -1.499 132 HG LEU 20 HG LEU 20 -3.124 0.547 -1.119 133 1HD1 LEU 20 HD11 LEU 20 -2.772 0.411 -3.595 134 2HD1 LEU 20 HD12 LEU 20 -2.775 -1.345 -3.432 135 3HD1 LEU 20 HD13 LEU 20 -1.537 -0.386 -2.621 136 1HD2 LEU 20 HD21 LEU 20 -4.978 0.928 -2.583 137 2HD2 LEU 20 HD22 LEU 20 -5.540 -0.066 -1.238 138 3HD2 LEU 20 HD23 LEU 20 -5.222 -0.805 -2.808 139 H GLN 21 HN GLN 21 -2.570 -1.569 1.982 140 HA GLN 21 HA GLN 21 -2.019 -4.211 2.545 141 1HB GLN 21 HB2 GLN 21 -1.002 -1.887 3.405 142 2HB GLN 21 HB1 GLN 21 -1.937 -2.315 4.830 143 1HG GLN 21 HG2 GLN 21 -0.606 -4.651 4.168 144 2HG GLN 21 HG1 GLN 21 0.575 -3.375 3.875 145 1HE2 GLN 21 HE21 GLN 21 1.827 -4.099 5.615 146 2HE2 GLN 21 HE22 GLN 21 1.371 -3.789 7.253 147 H ALA 22 HN ALA 22 -4.582 -2.180 3.812 148 HA ALA 22 HA ALA 22 -5.404 -3.962 5.875 149 1HB ALA 22 HB1 ALA 22 -7.170 -2.495 6.257 150 2HB ALA 22 HB2 ALA 22 -7.231 -1.974 4.573 151 3HB ALA 22 HB3 ALA 22 -5.907 -1.447 5.613 152 H LYS 23 HN LYS 23 -6.203 -3.578 2.487 153 HA LYS 23 HA LYS 23 -8.509 -5.216 2.469 154 1HB LYS 23 HB2 LYS 23 -6.749 -3.961 0.477 155 2HB LYS 23 HB1 LYS 23 -7.506 -5.452 -0.066 156 1HG LYS 23 HG2 LYS 23 -9.236 -4.176 -0.633 157 2HG LYS 23 HG1 LYS 23 -9.597 -4.115 1.093 158 1HD LYS 23 HD2 LYS 23 -9.115 -1.939 1.199 159 2HD LYS 23 HD1 LYS 23 -7.580 -2.169 0.357 160 1HE LYS 23 HE2 LYS 23 -8.437 -1.559 -1.633 161 2HE LYS 23 HE1 LYS 23 -9.965 -2.389 -1.341 162 1HZ LYS 23 HZ1 LYS 23 -10.342 -0.040 -1.464 163 2HZ LYS 23 HZ2 LYS 23 -9.169 0.270 -0.287 164 3HZ LYS 23 HZ3 LYS 23 -10.593 -0.538 0.134 165 H ARG 24 HN ARG 24 -5.076 -5.882 2.121 166 HA ARG 24 HA ARG 24 -5.331 -8.558 1.228 167 1HB ARG 24 HB2 ARG 24 -3.196 -6.774 2.070 168 2HB ARG 24 HB1 ARG 24 -2.929 -8.417 2.635 169 1HG ARG 24 HG2 ARG 24 -3.515 -9.035 0.159 170 2HG ARG 24 HG1 ARG 24 -3.046 -7.360 -0.140 171 1HD ARG 24 HD2 ARG 24 -0.912 -7.956 -0.093 172 2HD ARG 24 HD1 ARG 24 -1.104 -8.495 1.574 173 HE ARG 24 HE ARG 24 -1.922 -10.368 -0.488 174 1HH1 ARG 24 HH11 ARG 24 0.587 -9.345 1.718 175 2HH1 ARG 24 HH12 ARG 24 1.402 -10.871 1.689 176 1HH2 ARG 24 HH21 ARG 24 -0.846 -12.371 -0.526 177 2HH2 ARG 24 HH22 ARG 24 0.593 -12.587 0.415 178 H THR 25 HN THR 25 -4.842 -7.155 4.457 179 HA THR 25 HA THR 25 -4.681 -9.572 5.871 180 HB THR 25 HB THR 25 -5.962 -7.290 7.238 181 HG1 THR 25 HG1 THR 25 -3.420 -7.100 6.013 182 1HG2 THR 25 HG21 THR 25 -5.129 -8.966 8.654 183 2HG2 THR 25 HG22 THR 25 -3.987 -7.627 8.765 184 3HG2 THR 25 HG23 THR 25 -3.594 -9.042 7.789 185 H ARG 26 HN ARG 26 -7.474 -7.390 5.457 186 HA ARG 26 HA ARG 26 -9.370 -8.856 6.815 187 1HB ARG 26 HB2 ARG 26 -11.052 -7.758 5.397 188 2HB ARG 26 HB1 ARG 26 -9.818 -6.628 5.936 189 1HG ARG 26 HG2 ARG 26 -8.735 -6.733 3.771 190 2HG ARG 26 HG1 ARG 26 -9.909 -7.931 3.224 191 1HD ARG 26 HD2 ARG 26 -10.352 -5.029 3.861 192 2HD ARG 26 HD1 ARG 26 -10.647 -5.877 2.345 193 HE ARG 26 HE ARG 26 -12.649 -6.675 3.193 194 1HH1 ARG 26 HH11 ARG 26 -10.878 -4.980 5.682 195 2HH1 ARG 26 HH12 ARG 26 -12.230 -4.901 6.759 196 1HH2 ARG 26 HH21 ARG 26 -14.423 -6.569 4.611 197 2HH2 ARG 26 HH22 ARG 26 -14.240 -5.802 6.154 198 H LEU 27 HN LEU 27 -8.351 -9.184 3.442 199 HA LEU 27 HA LEU 27 -10.152 -11.214 2.721 200 1HB LEU 27 HB2 LEU 27 -7.660 -10.084 1.642 201 2HB LEU 27 HB1 LEU 27 -7.945 -11.758 1.203 202 HG LEU 27 HG LEU 27 -10.354 -10.779 0.592 203 1HD1 LEU 27 HD11 LEU 27 -10.192 -8.577 -0.380 204 2HD1 LEU 27 HD12 LEU 27 -8.497 -8.460 0.094 205 3HD1 LEU 27 HD13 LEU 27 -9.756 -8.504 1.328 206 1HD2 LEU 27 HD21 LEU 27 -9.651 -10.734 -1.694 207 2HD2 LEU 27 HD22 LEU 27 -8.742 -11.999 -0.867 208 3HD2 LEU 27 HD23 LEU 27 -7.974 -10.452 -1.226 209 H VAL 28 HN VAL 28 -7.009 -11.275 4.302 210 HA VAL 28 HA VAL 28 -6.616 -14.077 4.199 211 HB VAL 28 HB VAL 28 -5.597 -12.194 6.321 212 1HG1 VAL 28 HG11 VAL 28 -3.816 -13.795 6.613 213 2HG1 VAL 28 HG12 VAL 28 -4.448 -14.786 5.299 214 3HG1 VAL 28 HG13 VAL 28 -5.370 -14.610 6.792 215 1HG2 VAL 28 HG21 VAL 28 -5.045 -12.225 3.518 216 2HG2 VAL 28 HG22 VAL 28 -3.600 -12.723 4.396 217 3HG2 VAL 28 HG23 VAL 28 -4.370 -11.181 4.769 218 H GLN 29 HN GLN 29 -8.084 -11.925 6.587 219 HA GLN 29 HA GLN 29 -8.588 -13.718 8.631 220 1HB GLN 29 HB2 GLN 29 -9.648 -11.140 7.774 221 2HB GLN 29 HB1 GLN 29 -10.873 -12.132 8.553 222 1HG GLN 29 HG2 GLN 29 -10.007 -11.011 10.345 223 2HG GLN 29 HG1 GLN 29 -9.032 -12.480 10.365 224 1HE2 GLN 29 HE21 GLN 29 -6.992 -12.293 8.988 225 2HE2 GLN 29 HE22 GLN 29 -6.088 -10.832 9.169 226 H GLN 30 HN GLN 30 -10.099 -13.380 5.525 227 HA GLN 30 HA GLN 30 -12.374 -15.025 6.132 228 1HB GLN 30 HB2 GLN 30 -11.260 -13.715 3.700 229 2HB GLN 30 HB1 GLN 30 -12.351 -15.073 3.468 230 1HG GLN 30 HG2 GLN 30 -13.681 -13.138 3.383 231 2HG GLN 30 HG1 GLN 30 -13.986 -13.871 4.957 232 1HE2 GLN 30 HE21 GLN 30 -12.647 -11.179 3.258 233 2HE2 GLN 30 HE22 GLN 30 -12.348 -10.183 4.638 234 H HIS 31 HN HIS 31 -9.154 -15.500 4.815 235 HA HIS 31 HA HIS 31 -9.644 -18.397 4.900 236 1HB HIS 31 HB2 HIS 31 -8.417 -18.772 2.859 237 2HB HIS 31 HB1 HIS 31 -9.710 -17.624 2.537 238 HD1 HIS 31 HD1 HIS 31 -8.769 -14.988 2.784 239 HD2 HIS 31 HD2 HIS 31 -6.078 -17.978 1.769 240 HE1 HIS 31 HE1 HIS 31 -6.840 -13.815 1.690 241 HE2 HIS 31 HE2 HIS 31 -5.130 -15.622 1.312 242 HA PRO 32 HA PRO 32 -5.714 -17.097 7.093 243 1HB PRO 32 HB2 PRO 32 -6.429 -17.644 9.624 244 2HB PRO 32 HB1 PRO 32 -6.834 -16.104 8.856 245 1HG PRO 32 HG2 PRO 32 -8.550 -18.518 9.285 246 2HG PRO 32 HG1 PRO 32 -8.958 -16.805 9.489 247 1HD PRO 32 HD2 PRO 32 -9.623 -18.283 7.277 248 2HD PRO 32 HD1 PRO 32 -9.401 -16.524 7.259 249 H ARG 33 HN ARG 33 -4.393 -18.506 8.622 250 HA ARG 33 HA ARG 33 -3.210 -20.459 8.754 251 1HB ARG 33 HB2 ARG 33 -4.364 -22.215 9.920 252 2HB ARG 33 HB1 ARG 33 -4.943 -20.670 10.525 253 1HG ARG 33 HG2 ARG 33 -6.473 -21.950 8.329 254 2HG ARG 33 HG1 ARG 33 -6.578 -22.661 9.940 255 1HD ARG 33 HD2 ARG 33 -6.835 -19.747 9.907 256 2HD ARG 33 HD1 ARG 33 -8.105 -20.585 9.019 257 HE ARG 33 HE ARG 33 -7.701 -20.564 11.865 258 1HH1 ARG 33 HH11 ARG 33 -9.107 -22.301 9.185 259 2HH1 ARG 33 HH12 ARG 33 -10.281 -23.113 10.165 260 1HH2 ARG 33 HH21 ARG 33 -9.243 -21.631 13.156 261 2HH2 ARG 33 HH22 ARG 33 -10.359 -22.733 12.420 262 H CYS 1 HN CYS 1 -16.067 -19.992 0.949 263 HA CYS 1 HA CYS 1 -15.533 -22.801 1.137 264 1HB CYS 1 HB2 CYS 1 -18.296 -21.818 0.529 265 2HB CYS 1 HB1 CYS 1 -17.707 -23.284 -0.245 266 HG CYS 1 HG CYS 1 -17.251 -23.821 2.548 267 H GLY 2 HN GLY 2 -14.072 -23.009 -0.422 268 1HA GLY 2 HA2 GLY 2 -14.565 -22.862 -3.122 269 2HA GLY 2 HA1 GLY 2 -13.973 -21.266 -2.688 270 H GLY 3 HN GLY 3 -12.001 -21.673 -0.942 271 1HA GLY 3 HA2 GLY 3 -10.151 -23.453 -0.783 272 2HA GLY 3 HA1 GLY 3 -10.069 -23.235 -2.524 273 H ASP 4 HN ASP 4 -8.181 -22.250 -2.886 274 HA ASP 4 HA ASP 4 -7.303 -20.097 -1.123 275 1HB ASP 4 HB2 ASP 4 -5.912 -21.434 -3.443 276 2HB ASP 4 HB1 ASP 4 -5.193 -20.222 -2.389 277 H ASN 5 HN ASN 5 -9.471 -20.037 -3.354 278 HA ASN 5 HA ASN 5 -8.702 -18.393 -5.443 279 1HB ASN 5 HB2 ASN 5 -10.942 -19.470 -5.205 280 2HB ASN 5 HB1 ASN 5 -11.348 -18.275 -3.976 281 1HD2 ASN 5 HD21 ASN 5 -9.734 -18.082 -7.129 282 2HD2 ASN 5 HD22 ASN 5 -10.784 -16.876 -7.784 283 H ILE 6 HN ILE 6 -9.243 -17.682 -2.101 284 HA ILE 6 HA ILE 6 -9.308 -14.824 -2.418 285 HB ILE 6 HB ILE 6 -8.794 -16.369 0.117 286 1HG1 ILE 6 HG12 ILE 6 -11.476 -15.516 -0.996 287 2HG1 ILE 6 HG11 ILE 6 -10.857 -17.164 -1.050 288 1HG2 ILE 6 HG21 ILE 6 -10.043 -13.663 -0.322 289 2HG2 ILE 6 HG22 ILE 6 -8.363 -13.938 0.136 290 3HG2 ILE 6 HG23 ILE 6 -9.665 -14.418 1.225 291 1HD1 ILE 6 HD11 ILE 6 -12.496 -16.389 0.835 292 2HD1 ILE 6 HD12 ILE 6 -11.014 -15.788 1.578 293 3HD1 ILE 6 HD13 ILE 6 -11.172 -17.500 1.183 294 H GLU 7 HN GLU 7 -6.994 -17.251 -1.309 295 HA GLU 7 HA GLU 7 -4.903 -15.586 -0.553 296 1HB GLU 7 HB2 GLU 7 -5.281 -18.290 -0.671 297 2HB GLU 7 HB1 GLU 7 -4.083 -18.051 -1.935 298 1HG GLU 7 HG2 GLU 7 -2.774 -16.722 -0.189 299 2HG GLU 7 HG1 GLU 7 -3.865 -17.447 0.991 300 H GLN 8 HN GLN 8 -6.017 -16.508 -3.710 301 HA GLN 8 HA GLN 8 -3.658 -15.596 -5.087 302 1HB GLN 8 HB2 GLN 8 -5.526 -17.346 -5.803 303 2HB GLN 8 HB1 GLN 8 -6.280 -15.908 -6.477 304 1HG GLN 8 HG2 GLN 8 -4.865 -15.841 -8.191 305 2HG GLN 8 HG1 GLN 8 -3.463 -16.102 -7.153 306 1HE2 GLN 8 HE21 GLN 8 -2.359 -17.814 -7.742 307 2HE2 GLN 8 HE22 GLN 8 -3.009 -19.298 -8.340 308 H LYS 9 HN LYS 9 -6.890 -14.386 -4.398 309 HA LYS 9 HA LYS 9 -6.759 -12.041 -5.946 310 1HB LYS 9 HB2 LYS 9 -8.702 -13.249 -4.492 311 2HB LYS 9 HB1 LYS 9 -8.296 -11.915 -3.424 312 1HG LYS 9 HG2 LYS 9 -8.512 -10.877 -6.050 313 2HG LYS 9 HG1 LYS 9 -9.917 -11.903 -5.754 314 1HD LYS 9 HD2 LYS 9 -9.176 -10.109 -3.540 315 2HD LYS 9 HD1 LYS 9 -9.737 -9.304 -5.007 316 1HE LYS 9 HE2 LYS 9 -11.308 -11.629 -4.058 317 2HE LYS 9 HE1 LYS 9 -11.394 -10.158 -3.090 318 1HZ LYS 9 HZ1 LYS 9 -12.517 -9.064 -4.689 319 2HZ LYS 9 HZ2 LYS 9 -12.966 -10.621 -5.171 320 3HZ LYS 9 HZ3 LYS 9 -11.701 -9.823 -5.962 321 H ILE 10 HN ILE 10 -5.691 -12.788 -2.678 322 HA ILE 10 HA ILE 10 -5.124 -10.093 -1.949 323 HB ILE 10 HB ILE 10 -3.683 -11.126 -0.172 324 1HG1 ILE 10 HG12 ILE 10 -4.882 -13.719 -1.161 325 2HG1 ILE 10 HG11 ILE 10 -3.209 -13.233 -1.421 326 1HG2 ILE 10 HG21 ILE 10 -6.273 -10.638 -0.183 327 2HG2 ILE 10 HG22 ILE 10 -5.491 -11.423 1.190 328 3HG2 ILE 10 HG23 ILE 10 -6.365 -12.390 0.001 329 1HD1 ILE 10 HD11 ILE 10 -2.864 -13.181 1.002 330 2HD1 ILE 10 HD12 ILE 10 -3.365 -14.771 0.428 331 3HD1 ILE 10 HD13 ILE 10 -4.528 -13.718 1.235 332 H ASP 11 HN ASP 11 -3.151 -12.758 -3.230 333 HA ASP 11 HA ASP 11 -0.642 -11.617 -3.081 334 1HB ASP 11 HB2 ASP 11 -1.897 -13.462 -5.101 335 2HB ASP 11 HB1 ASP 11 -0.236 -12.910 -5.297 336 H ASP 12 HN ASP 12 -3.263 -10.996 -5.293 337 HA ASP 12 HA ASP 12 -1.824 -9.388 -7.140 338 1HB ASP 12 HB2 ASP 12 -4.742 -9.682 -6.456 339 2HB ASP 12 HB1 ASP 12 -4.203 -8.446 -7.588 340 H ILE 13 HN ILE 13 -3.770 -8.693 -4.278 341 HA ILE 13 HA ILE 13 -3.537 -5.895 -4.331 342 HB ILE 13 HB ILE 13 -3.772 -7.630 -1.870 343 1HG1 ILE 13 HG12 ILE 13 -5.938 -6.544 -3.682 344 2HG1 ILE 13 HG11 ILE 13 -5.494 -8.237 -3.492 345 1HG2 ILE 13 HG21 ILE 13 -3.429 -4.908 -2.072 346 2HG2 ILE 13 HG22 ILE 13 -4.113 -5.764 -0.690 347 3HG2 ILE 13 HG23 ILE 13 -5.177 -5.080 -1.920 348 1HD1 ILE 13 HD11 ILE 13 -7.557 -7.240 -2.244 349 2HD1 ILE 13 HD12 ILE 13 -6.336 -6.697 -1.093 350 3HD1 ILE 13 HD13 ILE 13 -6.508 -8.416 -1.452 351 H ASP 14 HN ASP 14 -1.585 -8.394 -2.725 352 HA ASP 14 HA ASP 14 0.189 -6.854 -1.307 353 1HB ASP 14 HB2 ASP 14 -0.003 -9.484 -1.763 354 2HB ASP 14 HB1 ASP 14 1.347 -9.126 -2.836 355 H HIS 15 HN HIS 15 0.060 -7.382 -4.763 356 HA HIS 15 HA HIS 15 2.627 -6.207 -5.283 357 1HB HIS 15 HB2 HIS 15 1.284 -7.881 -6.750 358 2HB HIS 15 HB1 HIS 15 0.431 -6.450 -7.320 359 HD1 HIS 15 HD1 HIS 15 4.093 -6.272 -6.591 360 HD2 HIS 15 HD2 HIS 15 1.571 -6.661 -9.871 361 HE1 HIS 15 HE1 HIS 15 5.549 -5.898 -8.606 362 HE2 HIS 15 HE2 HIS 15 4.021 -6.232 -10.582 363 H GLU 16 HN GLU 16 -0.653 -5.098 -4.973 364 HA GLU 16 HA GLU 16 -0.093 -2.513 -6.139 365 1HB GLU 16 HB2 GLU 16 -2.548 -3.235 -4.558 366 2HB GLU 16 HB1 GLU 16 -2.381 -2.018 -5.816 367 1HG GLU 16 HG2 GLU 16 -2.342 -3.621 -7.520 368 2HG GLU 16 HG1 GLU 16 -2.024 -4.937 -6.391 369 H ILE 17 HN ILE 17 -0.328 -3.955 -2.971 370 HA ILE 17 HA ILE 17 -0.476 -1.586 -1.439 371 HB ILE 17 HB ILE 17 0.780 -4.200 -0.593 372 1HG1 ILE 17 HG12 ILE 17 -2.072 -3.502 -0.036 373 2HG1 ILE 17 HG11 ILE 17 -1.654 -4.171 -1.608 374 1HG2 ILE 17 HG21 ILE 17 0.545 -1.761 0.732 375 2HG2 ILE 17 HG22 ILE 17 0.933 -3.326 1.446 376 3HG2 ILE 17 HG23 ILE 17 -0.740 -2.769 1.401 377 1HD1 ILE 17 HD11 ILE 17 -2.176 -5.552 0.762 378 2HD1 ILE 17 HD12 ILE 17 -0.443 -5.721 0.474 379 3HD1 ILE 17 HD13 ILE 17 -1.597 -6.212 -0.766 380 H ALA 18 HN ALA 18 2.177 -3.438 -2.794 381 HA ALA 18 HA ALA 18 4.237 -1.978 -1.427 382 1HB ALA 18 HB1 ALA 18 5.548 -3.201 -3.442 383 2HB ALA 18 HB2 ALA 18 4.099 -4.202 -3.352 384 3HB ALA 18 HB3 ALA 18 5.116 -3.992 -1.926 385 H ASP 19 HN ASP 19 2.718 -1.860 -4.607 386 HA ASP 19 HA ASP 19 4.483 -0.200 -5.948 387 1HB ASP 19 HB2 ASP 19 1.528 -0.645 -6.130 388 2HB ASP 19 HB1 ASP 19 2.261 0.650 -7.071 389 H LEU 20 HN LEU 20 1.795 0.679 -3.811 390 HA LEU 20 HA LEU 20 2.093 3.477 -4.104 391 1HB LEU 20 HB2 LEU 20 0.995 2.163 -1.644 392 2HB LEU 20 HB1 LEU 20 0.544 3.701 -2.354 393 HG LEU 20 HG LEU 20 -0.249 0.937 -3.185 394 1HD1 LEU 20 HD11 LEU 20 -1.881 1.805 -1.837 395 2HD1 LEU 20 HD12 LEU 20 -2.446 2.345 -3.417 396 3HD1 LEU 20 HD13 LEU 20 -1.588 3.463 -2.359 397 1HD2 LEU 20 HD21 LEU 20 0.087 1.484 -5.332 398 2HD2 LEU 20 HD22 LEU 20 0.302 3.195 -4.964 399 3HD2 LEU 20 HD23 LEU 20 -1.322 2.526 -5.131 400 H GLN 21 HN GLN 21 3.155 1.249 -1.538 401 HA GLN 21 HA GLN 21 4.393 3.034 0.148 402 1HB GLN 21 HB2 GLN 21 4.154 0.351 0.108 403 2HB GLN 21 HB1 GLN 21 5.851 0.499 -0.325 404 1HG GLN 21 HG2 GLN 21 5.625 2.220 1.794 405 2HG GLN 21 HG1 GLN 21 4.524 0.914 2.233 406 1HE2 GLN 21 HE21 GLN 21 7.679 1.110 0.612 407 2HE2 GLN 21 HE22 GLN 21 8.457 -0.064 1.612 408 H ALA 22 HN ALA 22 5.589 1.709 -2.876 409 HA ALA 22 HA ALA 22 8.258 2.652 -2.612 410 1HB ALA 22 HB1 ALA 22 7.176 0.882 -4.244 411 2HB ALA 22 HB2 ALA 22 8.619 1.790 -4.699 412 3HB ALA 22 HB3 ALA 22 7.038 2.289 -5.300 413 H LYS 23 HN LYS 23 5.292 4.021 -3.887 414 HA LYS 23 HA LYS 23 6.438 6.232 -5.218 415 1HB LYS 23 HB2 LYS 23 3.723 5.496 -4.251 416 2HB LYS 23 HB1 LYS 23 4.019 7.189 -4.621 417 1HG LYS 23 HG2 LYS 23 4.113 6.828 -6.840 418 2HG LYS 23 HG1 LYS 23 4.921 5.270 -6.661 419 1HD LYS 23 HD2 LYS 23 2.928 4.449 -7.322 420 2HD LYS 23 HD1 LYS 23 2.490 4.689 -5.630 421 1HE LYS 23 HE2 LYS 23 0.743 5.705 -6.773 422 2HE LYS 23 HE1 LYS 23 1.800 7.058 -6.375 423 1HZ LYS 23 HZ1 LYS 23 1.539 7.503 -8.552 424 2HZ LYS 23 HZ2 LYS 23 1.158 5.907 -8.963 425 3HZ LYS 23 HZ3 LYS 23 2.774 6.360 -8.747 426 H ARG 24 HN ARG 24 5.519 5.668 -1.883 427 HA ARG 24 HA ARG 24 5.684 8.390 -1.054 428 1HB ARG 24 HB2 ARG 24 5.209 5.795 0.182 429 2HB ARG 24 HB1 ARG 24 6.177 6.850 1.203 430 1HG ARG 24 HG2 ARG 24 4.326 8.606 0.604 431 2HG ARG 24 HG1 ARG 24 3.372 7.161 0.270 432 1HD ARG 24 HD2 ARG 24 2.974 6.945 2.438 433 2HD ARG 24 HD1 ARG 24 4.697 6.723 2.718 434 HE ARG 24 HE ARG 24 3.338 9.342 2.763 435 1HH1 ARG 24 HH11 ARG 24 5.813 7.164 3.942 436 2HH1 ARG 24 HH12 ARG 24 6.410 8.290 5.110 437 1HH2 ARG 24 HH21 ARG 24 4.134 10.810 4.301 438 2HH2 ARG 24 HH22 ARG 24 5.462 10.354 5.315 439 H THR 25 HN THR 25 7.937 5.650 -0.917 440 HA THR 25 HA THR 25 9.993 6.939 0.486 441 HB THR 25 HB THR 25 10.816 4.995 -1.568 442 HG1 THR 25 HG1 THR 25 8.948 4.313 0.451 443 1HG2 THR 25 HG21 THR 25 12.425 5.257 0.050 444 2HG2 THR 25 HG22 THR 25 11.574 3.815 0.604 445 3HG2 THR 25 HG23 THR 25 11.245 5.376 1.355 446 H ARG 26 HN ARG 26 9.674 6.393 -3.024 447 HA ARG 26 HA ARG 26 11.913 7.736 -3.887 448 1HB ARG 26 HB2 ARG 26 10.789 8.031 -6.019 449 2HB ARG 26 HB1 ARG 26 10.400 6.449 -5.356 450 1HG ARG 26 HG2 ARG 26 8.231 7.241 -4.645 451 2HG ARG 26 HG1 ARG 26 8.620 8.872 -5.195 452 1HD ARG 26 HD2 ARG 26 8.570 6.462 -7.000 453 2HD ARG 26 HD1 ARG 26 7.191 7.534 -6.762 454 HE ARG 26 HE ARG 26 9.450 8.011 -8.414 455 1HH1 ARG 26 HH11 ARG 26 7.158 9.620 -6.332 456 2HH1 ARG 26 HH12 ARG 26 7.300 11.143 -7.143 457 1HH2 ARG 26 HH21 ARG 26 9.640 10.014 -9.482 458 2HH2 ARG 26 HH22 ARG 26 8.709 11.367 -8.932 459 H LEU 27 HN LEU 27 8.748 9.062 -3.066 460 HA LEU 27 HA LEU 27 9.307 11.729 -3.808 461 1HB LEU 27 HB2 LEU 27 7.264 10.364 -2.137 462 2HB LEU 27 HB1 LEU 27 7.478 12.086 -1.888 463 HG LEU 27 HG LEU 27 6.844 10.808 -4.549 464 1HD1 LEU 27 HD11 LEU 27 5.109 10.861 -2.546 465 2HD1 LEU 27 HD12 LEU 27 4.628 11.187 -4.212 466 3HD1 LEU 27 HD13 LEU 27 4.910 12.524 -3.098 467 1HD2 LEU 27 HD21 LEU 27 6.328 13.660 -4.082 468 2HD2 LEU 27 HD22 LEU 27 6.994 12.840 -5.493 469 3HD2 LEU 27 HD23 LEU 27 8.032 13.208 -4.115 470 H VAL 28 HN VAL 28 9.754 9.900 -0.821 471 HA VAL 28 HA VAL 28 10.498 12.055 0.832 472 HB VAL 28 HB VAL 28 11.530 9.230 1.026 473 1HG1 VAL 28 HG11 VAL 28 12.732 10.230 2.651 474 2HG1 VAL 28 HG12 VAL 28 11.230 10.086 3.563 475 3HG1 VAL 28 HG13 VAL 28 11.634 11.605 2.763 476 1HG2 VAL 28 HG21 VAL 28 9.442 8.568 1.414 477 2HG2 VAL 28 HG22 VAL 28 8.848 10.222 1.282 478 3HG2 VAL 28 HG23 VAL 28 9.416 9.611 2.836 479 H GLN 29 HN GLN 29 12.368 9.927 -1.276 480 HA GLN 29 HA GLN 29 14.938 10.745 -0.636 481 1HB GLN 29 HB2 GLN 29 13.634 9.580 -3.031 482 2HB GLN 29 HB1 GLN 29 15.189 10.356 -3.297 483 1HG GLN 29 HG2 GLN 29 16.248 8.585 -2.514 484 2HG GLN 29 HG1 GLN 29 15.371 8.694 -0.989 485 1HE2 GLN 29 HE21 GLN 29 13.455 7.504 -0.733 486 2HE2 GLN 29 HE22 GLN 29 13.099 6.140 -1.731 487 H GLN 30 HN GLN 30 12.483 12.264 -2.615 488 HA GLN 30 HA GLN 30 14.137 14.286 -3.729 489 1HB GLN 30 HB2 GLN 30 11.147 14.250 -3.270 490 2HB GLN 30 HB1 GLN 30 12.002 15.431 -4.252 491 1HG GLN 30 HG2 GLN 30 12.489 12.620 -4.954 492 2HG GLN 30 HG1 GLN 30 10.845 13.200 -5.219 493 1HE2 GLN 30 HE21 GLN 30 10.596 15.143 -6.517 494 2HE2 GLN 30 HE22 GLN 30 11.722 15.454 -7.790 495 H HIS 31 HN HIS 31 12.389 13.938 -0.713 496 HA HIS 31 HA HIS 31 13.641 16.424 0.204 497 1HB HIS 31 HB2 HIS 31 11.614 17.143 1.359 498 2HB HIS 31 HB1 HIS 31 11.329 17.009 -0.372 499 HD1 HIS 31 HD1 HIS 31 10.326 14.434 -0.977 500 HD2 HIS 31 HD2 HIS 31 9.581 16.066 2.765 501 HE1 HIS 31 HE1 HIS 31 8.310 13.224 -0.106 502 HE2 HIS 31 HE2 HIS 31 8.031 14.068 2.250 503 HA PRO 32 HA PRO 32 14.378 12.951 3.162 504 1HB PRO 32 HB2 PRO 32 16.932 13.678 3.741 505 2HB PRO 32 HB1 PRO 32 16.510 12.662 2.357 506 1HG PRO 32 HG2 PRO 32 17.082 15.599 2.447 507 2HG PRO 32 HG1 PRO 32 17.625 14.389 1.269 508 1HD PRO 32 HD2 PRO 32 15.562 16.067 0.778 509 2HD PRO 32 HD1 PRO 32 15.622 14.416 0.128 510 H ARG 33 HN ARG 33 15.819 13.372 5.376 511 HA ARG 33 HA ARG 33 15.763 14.293 7.454 512 1HB ARG 33 HB2 ARG 33 15.212 16.887 6.005 513 2HB ARG 33 HB1 ARG 33 15.828 16.711 7.642 514 1HG ARG 33 HG2 ARG 33 17.883 16.792 6.829 515 2HG ARG 33 HG1 ARG 33 17.581 15.266 5.997 516 1HD ARG 33 HD2 ARG 33 16.596 16.585 4.114 517 2HD ARG 33 HD1 ARG 33 17.138 18.050 4.932 518 HE ARG 33 HE ARG 33 18.753 16.188 3.454 519 1HH1 ARG 33 HH11 ARG 33 18.760 18.622 5.955 520 2HH1 ARG 33 HH12 ARG 33 20.440 18.997 5.760 521 1HH2 ARG 33 HH21 ARG 33 20.961 16.680 3.196 522 2HH2 ARG 33 HH22 ARG 33 21.690 17.894 4.193 Start of MODEL 32 1 H CYS 1 HT1 CYS 1 11.678 20.856 3.641 2 HA CYS 1 HA CYS 1 11.679 19.004 5.929 3 1HB CYS 1 HB2 CYS 1 11.791 21.703 6.036 4 2HB CYS 1 HB1 CYS 1 10.053 21.481 5.872 5 HG CYS 1 HG CYS 1 10.577 21.484 8.392 6 H GLY 2 HN GLY 2 9.678 20.860 3.629 7 1HA GLY 2 HA2 GLY 2 8.164 19.346 2.275 8 2HA GLY 2 HA1 GLY 2 7.645 18.727 3.835 9 H GLY 3 HN GLY 3 5.517 19.337 3.734 10 1HA GLY 3 HA2 GLY 3 3.683 20.721 3.752 11 2HA GLY 3 HA1 GLY 3 4.736 21.824 4.627 12 H ASP 4 HN ASP 4 5.285 20.763 1.329 13 HA ASP 4 HA ASP 4 4.711 23.500 0.428 14 1HB ASP 4 HB2 ASP 4 6.911 21.601 -0.368 15 2HB ASP 4 HB1 ASP 4 6.476 22.998 -1.353 16 H ASN 5 HN ASN 5 5.562 20.686 -1.482 17 HA ASN 5 HA ASN 5 2.841 20.414 -2.489 18 1HB ASN 5 HB2 ASN 5 3.979 22.076 -3.967 19 2HB ASN 5 HB1 ASN 5 5.199 20.861 -4.338 20 1HD2 ASN 5 HD21 ASN 5 1.663 20.754 -4.065 21 2HD2 ASN 5 HD22 ASN 5 1.392 20.093 -5.639 22 H ILE 6 HN ILE 6 6.205 19.348 -2.643 23 HA ILE 6 HA ILE 6 5.686 16.748 -3.634 24 HB ILE 6 HB ILE 6 8.005 17.281 -1.819 25 1HG1 ILE 6 HG12 ILE 6 7.617 18.432 -4.584 26 2HG1 ILE 6 HG11 ILE 6 8.056 19.283 -3.108 27 1HG2 ILE 6 HG21 ILE 6 7.836 15.812 -4.435 28 2HG2 ILE 6 HG22 ILE 6 7.589 15.070 -2.854 29 3HG2 ILE 6 HG23 ILE 6 9.154 15.776 -3.263 30 1HD1 ILE 6 HD11 ILE 6 10.045 19.196 -4.268 31 2HD1 ILE 6 HD12 ILE 6 9.746 17.564 -4.866 32 3HD1 ILE 6 HD13 ILE 6 10.179 17.819 -3.174 33 H GLU 7 HN GLU 7 6.371 17.980 -0.397 34 HA GLU 7 HA GLU 7 6.070 15.611 1.033 35 1HB GLU 7 HB2 GLU 7 6.950 17.831 1.882 36 2HB GLU 7 HB1 GLU 7 5.275 18.341 2.054 37 1HG GLU 7 HG2 GLU 7 5.786 17.603 4.178 38 2HG GLU 7 HG1 GLU 7 5.022 16.183 3.468 39 H GLN 8 HN GLN 8 3.663 17.853 -0.169 40 HA GLN 8 HA GLN 8 1.495 16.672 1.301 41 1HB GLN 8 HB2 GLN 8 1.584 19.068 0.489 42 2HB GLN 8 HB1 GLN 8 1.300 18.448 -1.131 43 1HG GLN 8 HG2 GLN 8 -0.774 17.325 -0.107 44 2HG GLN 8 HG1 GLN 8 -0.534 18.449 1.231 45 1HE2 GLN 8 HE21 GLN 8 -0.336 18.657 -2.310 46 2HE2 GLN 8 HE22 GLN 8 -1.357 20.043 -2.455 47 H LYS 9 HN LYS 9 2.860 16.378 -1.920 48 HA LYS 9 HA LYS 9 0.816 14.890 -3.121 49 1HB LYS 9 HB2 LYS 9 3.148 15.917 -3.998 50 2HB LYS 9 HB1 LYS 9 3.608 14.226 -3.857 51 1HG LYS 9 HG2 LYS 9 2.661 13.815 -5.810 52 2HG LYS 9 HG1 LYS 9 1.098 14.297 -5.148 53 1HD LYS 9 HD2 LYS 9 1.127 15.950 -6.650 54 2HD LYS 9 HD1 LYS 9 2.359 16.706 -5.638 55 1HE LYS 9 HE2 LYS 9 4.040 16.179 -7.061 56 2HE LYS 9 HE1 LYS 9 3.305 14.647 -7.531 57 1HZ LYS 9 HZ1 LYS 9 2.682 17.356 -8.546 58 2HZ LYS 9 HZ2 LYS 9 1.643 16.044 -8.790 59 3HZ LYS 9 HZ3 LYS 9 3.212 16.007 -9.420 60 H ILE 10 HN ILE 10 3.576 13.890 -1.163 61 HA ILE 10 HA ILE 10 3.164 11.101 -1.524 62 HB ILE 10 HB ILE 10 4.570 10.871 0.548 63 1HG1 ILE 10 HG12 ILE 10 4.963 13.849 0.230 64 2HG1 ILE 10 HG11 ILE 10 3.957 13.119 1.478 65 1HG2 ILE 10 HG21 ILE 10 6.529 11.141 -0.647 66 2HG2 ILE 10 HG22 ILE 10 5.961 12.609 -1.442 67 3HG2 ILE 10 HG23 ILE 10 5.319 11.039 -1.925 68 1HD1 ILE 10 HD11 ILE 10 6.886 12.549 1.132 69 2HD1 ILE 10 HD12 ILE 10 5.845 12.049 2.466 70 3HD1 ILE 10 HD13 ILE 10 6.225 13.756 2.236 71 H ASP 11 HN ASP 11 2.175 13.402 0.997 72 HA ASP 11 HA ASP 11 1.115 11.669 2.861 73 1HB ASP 11 HB2 ASP 11 0.442 14.455 2.018 74 2HB ASP 11 HB1 ASP 11 -0.672 13.623 3.099 75 H ASP 12 HN ASP 12 -0.168 12.681 -0.217 76 HA ASP 12 HA ASP 12 -2.786 11.618 0.114 77 1HB ASP 12 HB2 ASP 12 -1.626 13.207 -1.761 78 2HB ASP 12 HB1 ASP 12 -1.643 11.668 -2.617 79 H ILE 13 HN ILE 13 0.185 10.421 -1.376 80 HA ILE 13 HA ILE 13 -0.791 7.924 -2.206 81 HB ILE 13 HB ILE 13 2.026 8.542 -1.309 82 1HG1 ILE 13 HG12 ILE 13 0.715 8.920 -4.007 83 2HG1 ILE 13 HG11 ILE 13 1.315 10.190 -2.947 84 1HG2 ILE 13 HG21 ILE 13 2.620 6.532 -2.076 85 2HG2 ILE 13 HG22 ILE 13 1.657 6.715 -3.542 86 3HG2 ILE 13 HG23 ILE 13 0.901 6.139 -2.057 87 1HD1 ILE 13 HD11 ILE 13 3.350 8.228 -3.592 88 2HD1 ILE 13 HD12 ILE 13 3.383 9.986 -3.720 89 3HD1 ILE 13 HD13 ILE 13 2.682 9.021 -5.018 90 H ASP 14 HN ASP 14 0.826 8.926 0.800 91 HA ASP 14 HA ASP 14 1.061 6.519 2.096 92 1HB ASP 14 HB2 ASP 14 1.500 9.085 2.811 93 2HB ASP 14 HB1 ASP 14 0.054 8.754 3.761 94 H HIS 15 HN HIS 15 -1.829 8.427 1.572 95 HA HIS 15 HA HIS 15 -3.468 6.919 3.376 96 1HB HIS 15 HB2 HIS 15 -3.826 9.329 2.447 97 2HB HIS 15 HB1 HIS 15 -4.539 8.508 1.063 98 HD1 HIS 15 HD1 HIS 15 -5.457 6.398 3.689 99 HD2 HIS 15 HD2 HIS 15 -6.700 10.189 2.528 100 HE1 HIS 15 HE1 HIS 15 -7.723 6.711 4.734 101 HE2 HIS 15 HE2 HIS 15 -8.416 9.046 4.092 102 H GLU 16 HN GLU 16 -2.507 6.683 0.044 103 HA GLU 16 HA GLU 16 -4.534 4.726 -0.601 104 1HB GLU 16 HB2 GLU 16 -2.130 5.406 -2.279 105 2HB GLU 16 HB1 GLU 16 -3.684 4.774 -2.809 106 1HG GLU 16 HG2 GLU 16 -3.474 7.463 -1.510 107 2HG GLU 16 HG1 GLU 16 -3.138 7.250 -3.228 108 H ILE 17 HN ILE 17 -1.130 4.800 0.214 109 HA ILE 17 HA ILE 17 -0.471 2.152 -0.471 110 HB ILE 17 HB ILE 17 0.760 3.755 1.770 111 1HG1 ILE 17 HG12 ILE 17 1.874 3.729 -1.001 112 2HG1 ILE 17 HG11 ILE 17 0.536 4.812 -0.645 113 1HG2 ILE 17 HG21 ILE 17 1.892 1.833 1.994 114 2HG2 ILE 17 HG22 ILE 17 2.760 2.367 0.553 115 3HG2 ILE 17 HG23 ILE 17 1.405 1.246 0.403 116 1HD1 ILE 17 HD11 ILE 17 3.248 5.262 -0.217 117 2HD1 ILE 17 HD12 ILE 17 2.555 5.009 1.385 118 3HD1 ILE 17 HD13 ILE 17 1.898 6.256 0.325 119 H ALA 18 HN ALA 18 -1.977 3.586 2.339 120 HA ALA 18 HA ALA 18 -1.779 1.208 3.954 121 1HB ALA 18 HB1 ALA 18 -1.876 2.926 5.408 122 2HB ALA 18 HB2 ALA 18 -3.617 2.712 5.235 123 3HB ALA 18 HB3 ALA 18 -2.784 3.953 4.299 124 H ASP 19 HN ASP 19 -4.236 2.791 1.977 125 HA ASP 19 HA ASP 19 -6.482 1.353 2.725 126 1HB ASP 19 HB2 ASP 19 -5.955 3.255 0.844 127 2HB ASP 19 HB1 ASP 19 -6.242 1.846 -0.173 128 H LEU 20 HN LEU 20 -3.987 0.509 0.358 129 HA LEU 20 HA LEU 20 -5.223 -1.914 -0.471 130 1HB LEU 20 HB2 LEU 20 -2.282 -1.340 -0.635 131 2HB LEU 20 HB1 LEU 20 -3.252 -2.346 -1.694 132 HG LEU 20 HG LEU 20 -3.196 0.661 -1.555 133 1HD1 LEU 20 HD11 LEU 20 -2.509 -1.373 -3.660 134 2HD1 LEU 20 HD12 LEU 20 -1.441 -0.201 -2.888 135 3HD1 LEU 20 HD13 LEU 20 -2.696 0.348 -3.998 136 1HD2 LEU 20 HD21 LEU 20 -5.531 -0.229 -1.752 137 2HD2 LEU 20 HD22 LEU 20 -5.038 -1.005 -3.257 138 3HD2 LEU 20 HD23 LEU 20 -4.993 0.752 -3.115 139 H GLN 21 HN GLN 21 -2.436 -1.262 1.646 140 HA GLN 21 HA GLN 21 -1.843 -3.845 2.403 141 1HB GLN 21 HB2 GLN 21 -0.596 -1.704 2.976 142 2HB GLN 21 HB1 GLN 21 -1.737 -1.504 4.299 143 1HG GLN 21 HG2 GLN 21 -0.608 -4.153 4.311 144 2HG GLN 21 HG1 GLN 21 0.656 -2.924 4.327 145 1HE2 GLN 21 HE21 GLN 21 0.087 -1.045 5.881 146 2HE2 GLN 21 HE22 GLN 21 -0.435 -1.530 7.455 147 H ALA 22 HN ALA 22 -4.392 -1.742 3.578 148 HA ALA 22 HA ALA 22 -5.125 -3.385 5.794 149 1HB ALA 22 HB1 ALA 22 -6.844 -1.876 6.177 150 2HB ALA 22 HB2 ALA 22 -7.012 -1.479 4.467 151 3HB ALA 22 HB3 ALA 22 -5.627 -0.881 5.379 152 H LYS 23 HN LYS 23 -6.000 -3.263 2.416 153 HA LYS 23 HA LYS 23 -8.318 -4.918 2.651 154 1HB LYS 23 HB2 LYS 23 -6.641 -3.979 0.340 155 2HB LYS 23 HB1 LYS 23 -7.927 -5.155 0.108 156 1HG LYS 23 HG2 LYS 23 -9.584 -3.637 0.537 157 2HG LYS 23 HG1 LYS 23 -8.547 -2.626 1.547 158 1HD LYS 23 HD2 LYS 23 -7.255 -2.219 -0.685 159 2HD LYS 23 HD1 LYS 23 -8.766 -2.745 -1.432 160 1HE LYS 23 HE2 LYS 23 -9.913 -1.021 0.041 161 2HE LYS 23 HE1 LYS 23 -8.302 -0.393 0.383 162 1HZ LYS 23 HZ1 LYS 23 -8.791 0.874 -1.404 163 2HZ LYS 23 HZ2 LYS 23 -9.870 -0.247 -2.067 164 3HZ LYS 23 HZ3 LYS 23 -8.204 -0.467 -2.253 165 H ARG 24 HN ARG 24 -4.904 -5.475 2.115 166 HA ARG 24 HA ARG 24 -5.164 -8.190 1.280 167 1HB ARG 24 HB2 ARG 24 -3.187 -6.863 0.724 168 2HB ARG 24 HB1 ARG 24 -2.791 -6.709 2.430 169 1HG ARG 24 HG2 ARG 24 -1.873 -8.753 2.535 170 2HG ARG 24 HG1 ARG 24 -3.093 -9.468 1.479 171 1HD ARG 24 HD2 ARG 24 -1.854 -8.007 -0.341 172 2HD ARG 24 HD1 ARG 24 -0.515 -8.153 0.797 173 HE ARG 24 HE ARG 24 -1.496 -10.172 -0.941 174 1HH1 ARG 24 HH11 ARG 24 -0.123 -9.681 2.229 175 2HH1 ARG 24 HH12 ARG 24 0.560 -11.271 2.316 176 1HH2 ARG 24 HH21 ARG 24 -0.599 -12.262 -0.830 177 2HH2 ARG 24 HH22 ARG 24 0.291 -12.735 0.579 178 H THR 25 HN THR 25 -4.528 -6.610 4.383 179 HA THR 25 HA THR 25 -4.020 -8.962 5.856 180 HB THR 25 HB THR 25 -5.299 -6.718 7.281 181 HG1 THR 25 HG1 THR 25 -4.050 -5.212 6.550 182 1HG2 THR 25 HG21 THR 25 -4.056 -7.458 8.944 183 2HG2 THR 25 HG22 THR 25 -2.584 -7.220 8.003 184 3HG2 THR 25 HG23 THR 25 -3.465 -8.743 7.891 185 H ARG 26 HN ARG 26 -6.982 -6.964 5.699 186 HA ARG 26 HA ARG 26 -8.623 -8.488 7.288 187 1HB ARG 26 HB2 ARG 26 -10.501 -7.509 6.141 188 2HB ARG 26 HB1 ARG 26 -9.231 -6.301 6.265 189 1HG ARG 26 HG2 ARG 26 -8.610 -6.681 3.949 190 2HG ARG 26 HG1 ARG 26 -9.835 -7.946 3.816 191 1HD ARG 26 HD2 ARG 26 -11.032 -5.549 4.832 192 2HD ARG 26 HD1 ARG 26 -10.136 -5.181 3.362 193 HE ARG 26 HE ARG 26 -11.613 -6.480 2.149 194 1HH1 ARG 26 HH11 ARG 26 -12.253 -6.822 5.566 195 2HH1 ARG 26 HH12 ARG 26 -13.774 -7.613 5.326 196 1HH2 ARG 26 HH21 ARG 26 -13.611 -7.520 1.838 197 2HH2 ARG 26 HH22 ARG 26 -14.544 -8.010 3.212 198 H LEU 27 HN LEU 27 -7.876 -8.939 3.867 199 HA LEU 27 HA LEU 27 -9.620 -11.103 3.409 200 1HB LEU 27 HB2 LEU 27 -7.355 -9.848 2.037 201 2HB LEU 27 HB1 LEU 27 -7.487 -11.570 1.734 202 HG LEU 27 HG LEU 27 -9.814 -11.243 0.972 203 1HD1 LEU 27 HD11 LEU 27 -10.229 -9.193 2.316 204 2HD1 LEU 27 HD12 LEU 27 -10.719 -9.056 0.628 205 3HD1 LEU 27 HD13 LEU 27 -9.224 -8.297 1.177 206 1HD2 LEU 27 HD21 LEU 27 -8.020 -9.368 -0.536 207 2HD2 LEU 27 HD22 LEU 27 -9.256 -10.459 -1.162 208 3HD2 LEU 27 HD23 LEU 27 -7.746 -11.110 -0.525 209 H VAL 28 HN VAL 28 -6.313 -10.903 4.619 210 HA VAL 28 HA VAL 28 -5.748 -13.664 4.629 211 HB VAL 28 HB VAL 28 -4.692 -11.608 6.565 212 1HG1 VAL 28 HG11 VAL 28 -2.739 -13.088 6.690 213 2HG1 VAL 28 HG12 VAL 28 -3.548 -14.232 5.618 214 3HG1 VAL 28 HG13 VAL 28 -4.213 -13.900 7.217 215 1HG2 VAL 28 HG21 VAL 28 -3.573 -10.638 4.908 216 2HG2 VAL 28 HG22 VAL 28 -4.415 -11.675 3.756 217 3HG2 VAL 28 HG23 VAL 28 -2.872 -12.187 4.440 218 H GLN 29 HN GLN 29 -7.104 -11.507 7.086 219 HA GLN 29 HA GLN 29 -7.328 -13.278 9.204 220 1HB GLN 29 HB2 GLN 29 -9.069 -10.974 8.338 221 2HB GLN 29 HB1 GLN 29 -9.400 -11.884 9.806 222 1HG GLN 29 HG2 GLN 29 -7.762 -10.881 10.939 223 2HG GLN 29 HG1 GLN 29 -6.633 -10.987 9.589 224 1HE2 GLN 29 HE21 GLN 29 -5.906 -9.048 9.115 225 2HE2 GLN 29 HE22 GLN 29 -6.842 -7.599 9.027 226 H GLN 30 HN GLN 30 -9.133 -13.066 6.252 227 HA GLN 30 HA GLN 30 -11.301 -14.744 7.098 228 1HB GLN 30 HB2 GLN 30 -11.276 -13.010 5.182 229 2HB GLN 30 HB1 GLN 30 -10.497 -14.273 4.238 230 1HG GLN 30 HG2 GLN 30 -12.790 -14.394 3.734 231 2HG GLN 30 HG1 GLN 30 -12.455 -15.750 4.809 232 1HE2 GLN 30 HE21 GLN 30 -15.007 -14.697 4.361 233 2HE2 GLN 30 HE22 GLN 30 -15.582 -14.010 5.839 234 H HIS 31 HN HIS 31 -8.155 -15.204 5.631 235 HA HIS 31 HA HIS 31 -8.551 -18.099 5.870 236 1HB HIS 31 HB2 HIS 31 -7.518 -18.554 3.732 237 2HB HIS 31 HB1 HIS 31 -8.897 -17.488 3.491 238 HD1 HIS 31 HD1 HIS 31 -8.021 -14.787 3.573 239 HD2 HIS 31 HD2 HIS 31 -5.409 -17.734 2.267 240 HE1 HIS 31 HE1 HIS 31 -6.299 -13.596 2.194 241 HE2 HIS 31 HE2 HIS 31 -4.604 -15.368 1.627 242 HA PRO 32 HA PRO 32 -4.492 -16.541 7.619 243 1HB PRO 32 HB2 PRO 32 -4.894 -17.265 10.185 244 2HB PRO 32 HB1 PRO 32 -5.463 -15.720 9.543 245 1HG PRO 32 HG2 PRO 32 -6.984 -18.258 10.002 246 2HG PRO 32 HG1 PRO 32 -7.464 -16.587 10.353 247 1HD PRO 32 HD2 PRO 32 -8.303 -17.950 8.147 248 2HD PRO 32 HD1 PRO 32 -8.109 -16.187 8.184 249 H ARG 33 HN ARG 33 -6.346 -19.493 8.019 250 HA ARG 33 HA ARG 33 -3.838 -21.020 7.885 251 1HB ARG 33 HB2 ARG 33 -6.197 -21.743 9.632 252 2HB ARG 33 HB1 ARG 33 -4.693 -22.643 9.484 253 1HG ARG 33 HG2 ARG 33 -3.612 -21.310 10.918 254 2HG ARG 33 HG1 ARG 33 -4.337 -19.843 10.255 255 1HD ARG 33 HD2 ARG 33 -6.275 -20.085 11.568 256 2HD ARG 33 HD1 ARG 33 -5.893 -21.759 11.967 257 HE ARG 33 HE ARG 33 -3.868 -20.031 12.923 258 1HH1 ARG 33 HH11 ARG 33 -7.146 -21.029 13.580 259 2HH1 ARG 33 HH12 ARG 33 -7.041 -20.693 15.276 260 1HH2 ARG 33 HH21 ARG 33 -3.727 -19.590 15.153 261 2HH2 ARG 33 HH22 ARG 33 -5.100 -19.875 16.169 262 H CYS 1 HN CYS 1 -18.841 -22.761 -0.514 263 HA CYS 1 HA CYS 1 -16.789 -24.346 -1.914 264 1HB CYS 1 HB2 CYS 1 -18.868 -23.430 -3.201 265 2HB CYS 1 HB1 CYS 1 -18.026 -21.887 -3.108 266 HG CYS 1 HG CYS 1 -16.027 -23.118 -4.421 267 H GLY 2 HN GLY 2 -14.899 -23.832 -0.987 268 1HA GLY 2 HA2 GLY 2 -14.135 -21.000 -0.975 269 2HA GLY 2 HA1 GLY 2 -13.978 -21.908 0.521 270 H GLY 3 HN GLY 3 -11.714 -21.462 0.483 271 1HA GLY 3 HA2 GLY 3 -9.905 -23.247 0.063 272 2HA GLY 3 HA1 GLY 3 -10.212 -22.866 -1.624 273 H ASP 4 HN ASP 4 -8.232 -22.031 -2.132 274 HA ASP 4 HA ASP 4 -7.129 -19.888 -0.493 275 1HB ASP 4 HB2 ASP 4 -6.029 -21.257 -2.948 276 2HB ASP 4 HB1 ASP 4 -5.173 -20.061 -1.979 277 H ASN 5 HN ASN 5 -9.521 -19.808 -2.504 278 HA ASN 5 HA ASN 5 -8.938 -18.167 -4.654 279 1HB ASN 5 HB2 ASN 5 -11.324 -18.880 -3.128 280 2HB ASN 5 HB1 ASN 5 -11.405 -17.242 -3.768 281 1HD2 ASN 5 HD21 ASN 5 -10.082 -17.461 -6.125 282 2HD2 ASN 5 HD22 ASN 5 -10.927 -18.532 -7.184 283 H ILE 6 HN ILE 6 -9.143 -17.458 -1.274 284 HA ILE 6 HA ILE 6 -9.214 -14.600 -1.562 285 HB ILE 6 HB ILE 6 -8.408 -16.173 0.880 286 1HG1 ILE 6 HG12 ILE 6 -11.198 -15.294 0.100 287 2HG1 ILE 6 HG11 ILE 6 -10.602 -16.946 -0.031 288 1HG2 ILE 6 HG21 ILE 6 -7.968 -13.733 0.847 289 2HG2 ILE 6 HG22 ILE 6 -9.093 -14.236 2.110 290 3HG2 ILE 6 HG23 ILE 6 -9.698 -13.463 0.645 291 1HD1 ILE 6 HD11 ILE 6 -10.678 -17.295 2.216 292 2HD1 ILE 6 HD12 ILE 6 -11.996 -16.136 2.044 293 3HD1 ILE 6 HD13 ILE 6 -10.414 -15.595 2.604 294 H GLU 7 HN GLU 7 -6.801 -17.048 -0.755 295 HA GLU 7 HA GLU 7 -4.622 -15.392 -0.252 296 1HB GLU 7 HB2 GLU 7 -5.037 -18.089 -0.282 297 2HB GLU 7 HB1 GLU 7 -4.004 -17.886 -1.691 298 1HG GLU 7 HG2 GLU 7 -2.262 -16.954 -0.401 299 2HG GLU 7 HG1 GLU 7 -3.310 -16.758 1.002 300 H GLN 8 HN GLN 8 -6.087 -16.355 -3.256 301 HA GLN 8 HA GLN 8 -3.892 -15.484 -4.897 302 1HB GLN 8 HB2 GLN 8 -5.708 -17.256 -5.444 303 2HB GLN 8 HB1 GLN 8 -6.709 -15.875 -5.867 304 1HG GLN 8 HG2 GLN 8 -4.991 -15.168 -7.490 305 2HG GLN 8 HG1 GLN 8 -4.071 -16.621 -7.106 306 1HE2 GLN 8 HE21 GLN 8 -5.750 -15.450 -9.467 307 2HE2 GLN 8 HE22 GLN 8 -6.616 -16.835 -10.028 308 H LYS 9 HN LYS 9 -7.065 -14.244 -3.975 309 HA LYS 9 HA LYS 9 -7.045 -11.918 -5.533 310 1HB LYS 9 HB2 LYS 9 -8.832 -13.090 -3.834 311 2HB LYS 9 HB1 LYS 9 -8.338 -11.685 -2.898 312 1HG LYS 9 HG2 LYS 9 -8.775 -10.618 -5.384 313 2HG LYS 9 HG1 LYS 9 -10.020 -11.864 -5.270 314 1HD LYS 9 HD2 LYS 9 -9.542 -9.895 -3.051 315 2HD LYS 9 HD1 LYS 9 -10.599 -9.520 -4.414 316 1HE LYS 9 HE2 LYS 9 -12.099 -11.241 -3.865 317 2HE LYS 9 HE1 LYS 9 -10.938 -12.024 -2.793 318 1HZ LYS 9 HZ1 LYS 9 -12.908 -10.463 -1.935 319 2HZ LYS 9 HZ2 LYS 9 -11.683 -9.306 -2.089 320 3HZ LYS 9 HZ3 LYS 9 -11.450 -10.657 -1.098 321 H ILE 10 HN ILE 10 -5.650 -12.627 -2.383 322 HA ILE 10 HA ILE 10 -5.012 -9.918 -1.768 323 HB ILE 10 HB ILE 10 -3.419 -10.906 -0.106 324 1HG1 ILE 10 HG12 ILE 10 -4.690 -13.531 -0.896 325 2HG1 ILE 10 HG11 ILE 10 -3.060 -13.047 -1.356 326 1HG2 ILE 10 HG21 ILE 10 -5.986 -10.415 0.123 327 2HG2 ILE 10 HG22 ILE 10 -5.095 -11.205 1.424 328 3HG2 ILE 10 HG23 ILE 10 -6.080 -12.165 0.320 329 1HD1 ILE 10 HD11 ILE 10 -3.002 -14.526 0.546 330 2HD1 ILE 10 HD12 ILE 10 -4.069 -13.448 1.446 331 3HD1 ILE 10 HD13 ILE 10 -2.445 -12.918 1.008 332 H ASP 11 HN ASP 11 -3.172 -12.619 -3.167 333 HA ASP 11 HA ASP 11 -0.656 -11.510 -3.278 334 1HB ASP 11 HB2 ASP 11 -1.536 -13.814 -4.135 335 2HB ASP 11 HB1 ASP 11 -1.753 -12.971 -5.665 336 H ASP 12 HN ASP 12 -3.467 -10.843 -5.230 337 HA ASP 12 HA ASP 12 -2.177 -9.248 -7.199 338 1HB ASP 12 HB2 ASP 12 -5.053 -9.251 -6.248 339 2HB ASP 12 HB1 ASP 12 -4.471 -8.402 -7.676 340 H ILE 13 HN ILE 13 -3.937 -8.499 -4.219 341 HA ILE 13 HA ILE 13 -3.656 -5.712 -4.311 342 HB ILE 13 HB ILE 13 -3.758 -7.411 -1.815 343 1HG1 ILE 13 HG12 ILE 13 -6.018 -6.313 -3.505 344 2HG1 ILE 13 HG11 ILE 13 -5.594 -8.011 -3.319 345 1HG2 ILE 13 HG21 ILE 13 -5.138 -4.856 -1.784 346 2HG2 ILE 13 HG22 ILE 13 -3.411 -4.684 -2.098 347 3HG2 ILE 13 HG23 ILE 13 -3.965 -5.523 -0.649 348 1HD1 ILE 13 HD11 ILE 13 -6.355 -6.326 -0.966 349 2HD1 ILE 13 HD12 ILE 13 -6.367 -8.082 -1.123 350 3HD1 ILE 13 HD13 ILE 13 -7.565 -7.112 -1.979 351 H ASP 14 HN ASP 14 -1.637 -8.202 -2.773 352 HA ASP 14 HA ASP 14 0.233 -6.660 -1.497 353 1HB ASP 14 HB2 ASP 14 -0.022 -9.318 -1.993 354 2HB ASP 14 HB1 ASP 14 1.365 -8.933 -3.007 355 H HIS 15 HN HIS 15 -0.074 -7.287 -4.930 356 HA HIS 15 HA HIS 15 2.466 -6.156 -5.625 357 1HB HIS 15 HB2 HIS 15 0.973 -7.828 -6.966 358 2HB HIS 15 HB1 HIS 15 0.158 -6.374 -7.533 359 HD1 HIS 15 HD1 HIS 15 3.533 -5.396 -7.151 360 HD2 HIS 15 HD2 HIS 15 1.481 -7.658 -9.968 361 HE1 HIS 15 HE1 HIS 15 4.984 -5.389 -9.204 362 HE2 HIS 15 HE2 HIS 15 3.682 -6.691 -10.923 363 H GLU 16 HN GLU 16 -0.772 -4.983 -5.150 364 HA GLU 16 HA GLU 16 -0.239 -2.432 -6.397 365 1HB GLU 16 HB2 GLU 16 -2.609 -3.087 -4.664 366 2HB GLU 16 HB1 GLU 16 -2.498 -1.895 -5.952 367 1HG GLU 16 HG2 GLU 16 -2.578 -3.531 -7.625 368 2HG GLU 16 HG1 GLU 16 -2.214 -4.830 -6.489 369 H ILE 17 HN ILE 17 -0.357 -3.796 -3.183 370 HA ILE 17 HA ILE 17 -0.369 -1.398 -1.703 371 HB ILE 17 HB ILE 17 0.890 -4.010 -0.859 372 1HG1 ILE 17 HG12 ILE 17 -1.920 -3.269 -0.175 373 2HG1 ILE 17 HG11 ILE 17 -1.597 -3.963 -1.757 374 1HG2 ILE 17 HG21 ILE 17 1.419 -2.723 0.902 375 2HG2 ILE 17 HG22 ILE 17 -0.276 -2.932 1.342 376 3HG2 ILE 17 HG23 ILE 17 0.240 -1.482 0.480 377 1HD1 ILE 17 HD11 ILE 17 -0.261 -5.577 0.110 378 2HD1 ILE 17 HD12 ILE 17 -1.697 -5.968 -0.838 379 3HD1 ILE 17 HD13 ILE 17 -1.866 -5.260 0.768 380 H ALA 18 HN ALA 18 2.168 -3.277 -3.210 381 HA ALA 18 HA ALA 18 4.324 -1.854 -1.946 382 1HB ALA 18 HB1 ALA 18 5.162 -3.870 -2.488 383 2HB ALA 18 HB2 ALA 18 5.497 -3.101 -4.040 384 3HB ALA 18 HB3 ALA 18 4.048 -4.088 -3.839 385 H ASP 19 HN ASP 19 2.664 -1.746 -5.062 386 HA ASP 19 HA ASP 19 4.381 -0.085 -6.470 387 1HB ASP 19 HB2 ASP 19 1.519 -0.775 -6.610 388 2HB ASP 19 HB1 ASP 19 1.944 0.765 -7.351 389 H LEU 20 HN LEU 20 1.746 0.802 -4.266 390 HA LEU 20 HA LEU 20 2.028 3.598 -4.589 391 1HB LEU 20 HB2 LEU 20 0.994 2.271 -2.102 392 2HB LEU 20 HB1 LEU 20 0.547 3.830 -2.767 393 HG LEU 20 HG LEU 20 -0.249 1.101 -3.741 394 1HD1 LEU 20 HD11 LEU 20 -1.724 1.842 -2.094 395 2HD1 LEU 20 HD12 LEU 20 -2.516 2.277 -3.608 396 3HD1 LEU 20 HD13 LEU 20 -1.675 3.509 -2.668 397 1HD2 LEU 20 HD21 LEU 20 0.456 2.501 -5.666 398 2HD2 LEU 20 HD22 LEU 20 -0.730 3.709 -5.173 399 3HD2 LEU 20 HD23 LEU 20 -1.263 2.105 -5.675 400 H GLN 21 HN GLN 21 3.150 1.412 -2.010 401 HA GLN 21 HA GLN 21 4.426 3.220 -0.384 402 1HB GLN 21 HB2 GLN 21 4.133 0.667 -0.128 403 2HB GLN 21 HB1 GLN 21 5.661 0.547 -0.990 404 1HG GLN 21 HG2 GLN 21 6.271 2.369 0.927 405 2HG GLN 21 HG1 GLN 21 5.108 1.347 1.769 406 1HE2 GLN 21 HE21 GLN 21 7.817 0.913 -0.488 407 2HE2 GLN 21 HE22 GLN 21 8.567 -0.371 0.394 408 H ALA 22 HN ALA 22 5.545 1.875 -3.426 409 HA ALA 22 HA ALA 22 8.222 2.822 -3.221 410 1HB ALA 22 HB1 ALA 22 6.540 1.830 -5.499 411 2HB ALA 22 HB2 ALA 22 7.919 1.054 -4.719 412 3HB ALA 22 HB3 ALA 22 8.169 2.458 -5.757 413 H LYS 23 HN LYS 23 5.226 4.159 -4.454 414 HA LYS 23 HA LYS 23 6.351 6.353 -5.843 415 1HB LYS 23 HB2 LYS 23 3.645 5.604 -4.861 416 2HB LYS 23 HB1 LYS 23 3.923 7.294 -5.257 417 1HG LYS 23 HG2 LYS 23 3.327 6.686 -7.321 418 2HG LYS 23 HG1 LYS 23 4.974 6.065 -7.437 419 1HD LYS 23 HD2 LYS 23 4.307 3.904 -7.332 420 2HD LYS 23 HD1 LYS 23 2.987 4.256 -6.214 421 1HE LYS 23 HE2 LYS 23 1.494 4.530 -7.871 422 2HE LYS 23 HE1 LYS 23 2.644 5.387 -8.897 423 1HZ LYS 23 HZ1 LYS 23 2.176 3.400 -10.007 424 2HZ LYS 23 HZ2 LYS 23 2.282 2.467 -8.600 425 3HZ LYS 23 HZ3 LYS 23 3.682 3.127 -9.282 426 H ARG 24 HN ARG 24 5.452 5.834 -2.497 427 HA ARG 24 HA ARG 24 5.631 8.589 -1.736 428 1HB ARG 24 HB2 ARG 24 5.038 6.044 -0.451 429 2HB ARG 24 HB1 ARG 24 6.015 7.089 0.570 430 1HG ARG 24 HG2 ARG 24 4.233 8.890 -0.134 431 2HG ARG 24 HG1 ARG 24 3.243 7.457 -0.424 432 1HD ARG 24 HD2 ARG 24 2.843 7.268 1.748 433 2HD ARG 24 HD1 ARG 24 4.571 7.145 2.072 434 HE ARG 24 HE ARG 24 3.475 9.819 1.721 435 1HH1 ARG 24 HH11 ARG 24 4.547 7.335 3.933 436 2HH1 ARG 24 HH12 ARG 24 4.764 8.435 5.252 437 1HH2 ARG 24 HH21 ARG 24 3.760 11.258 3.458 438 2HH2 ARG 24 HH22 ARG 24 4.315 10.658 4.985 439 H THR 25 HN THR 25 7.769 5.774 -1.347 440 HA THR 25 HA THR 25 9.823 7.027 0.058 441 HB THR 25 HB THR 25 10.580 4.985 -1.949 442 HG1 THR 25 HG1 THR 25 9.514 3.364 -0.743 443 1HG2 THR 25 HG21 THR 25 11.458 5.824 0.637 444 2HG2 THR 25 HG22 THR 25 12.229 4.726 -0.509 445 3HG2 THR 25 HG23 THR 25 11.064 4.105 0.660 446 H ARG 26 HN ARG 26 9.566 6.458 -3.448 447 HA ARG 26 HA ARG 26 11.909 7.680 -4.250 448 1HB ARG 26 HB2 ARG 26 10.648 8.179 -6.405 449 2HB ARG 26 HB1 ARG 26 10.691 6.498 -5.889 450 1HG ARG 26 HG2 ARG 26 8.492 6.492 -6.175 451 2HG ARG 26 HG1 ARG 26 8.400 7.463 -4.705 452 1HD ARG 26 HD2 ARG 26 7.156 8.654 -6.304 453 2HD ARG 26 HD1 ARG 26 8.706 9.488 -6.213 454 HE ARG 26 HE ARG 26 8.588 7.483 -8.270 455 1HH1 ARG 26 HH11 ARG 26 7.921 10.817 -7.480 456 2HH1 ARG 26 HH12 ARG 26 8.003 11.353 -9.125 457 1HH2 ARG 26 HH21 ARG 26 8.696 8.187 -10.434 458 2HH2 ARG 26 HH22 ARG 26 8.442 9.860 -10.801 459 H LEU 27 HN LEU 27 8.730 9.151 -3.712 460 HA LEU 27 HA LEU 27 9.455 11.769 -4.454 461 1HB LEU 27 HB2 LEU 27 7.235 10.513 -2.954 462 2HB LEU 27 HB1 LEU 27 7.518 12.213 -2.625 463 HG LEU 27 HG LEU 27 6.880 10.979 -5.304 464 1HD1 LEU 27 HD11 LEU 27 5.355 12.661 -3.349 465 2HD1 LEU 27 HD12 LEU 27 4.885 11.144 -4.113 466 3HD1 LEU 27 HD13 LEU 27 4.935 12.630 -5.061 467 1HD2 LEU 27 HD21 LEU 27 8.240 12.688 -5.982 468 2HD2 LEU 27 HD22 LEU 27 7.921 13.660 -4.544 469 3HD2 LEU 27 HD23 LEU 27 6.714 13.559 -5.826 470 H VAL 28 HN VAL 28 9.752 9.968 -1.446 471 HA VAL 28 HA VAL 28 10.421 12.164 0.213 472 HB VAL 28 HB VAL 28 11.348 9.315 0.548 473 1HG1 VAL 28 HG11 VAL 28 12.500 10.367 2.187 474 2HG1 VAL 28 HG12 VAL 28 10.961 10.218 3.037 475 3HG1 VAL 28 HG13 VAL 28 11.387 11.734 2.242 476 1HG2 VAL 28 HG21 VAL 28 9.228 8.721 0.856 477 2HG2 VAL 28 HG22 VAL 28 8.691 10.381 0.598 478 3HG2 VAL 28 HG23 VAL 28 9.141 9.841 2.215 479 H GLN 29 HN GLN 29 12.380 9.858 -1.627 480 HA GLN 29 HA GLN 29 14.915 10.656 -0.876 481 1HB GLN 29 HB2 GLN 29 13.864 9.660 -3.522 482 2HB GLN 29 HB1 GLN 29 15.573 9.973 -3.253 483 1HG GLN 29 HG2 GLN 29 14.145 8.222 -1.328 484 2HG GLN 29 HG1 GLN 29 14.530 7.580 -2.924 485 1HE2 GLN 29 HE21 GLN 29 15.582 6.565 -0.545 486 2HE2 GLN 29 HE22 GLN 29 17.286 6.847 -0.532 487 H GLN 30 HN GLN 30 12.616 12.197 -2.990 488 HA GLN 30 HA GLN 30 14.439 14.103 -4.097 489 1HB GLN 30 HB2 GLN 30 11.490 13.688 -4.117 490 2HB GLN 30 HB1 GLN 30 12.089 15.295 -4.500 491 1HG GLN 30 HG2 GLN 30 12.894 14.665 -6.498 492 2HG GLN 30 HG1 GLN 30 13.432 13.094 -5.905 493 1HE2 GLN 30 HE21 GLN 30 11.347 14.575 -7.944 494 2HE2 GLN 30 HE22 GLN 30 10.139 13.348 -8.077 495 H HIS 31 HN HIS 31 12.368 13.945 -1.277 496 HA HIS 31 HA HIS 31 13.613 16.398 -0.294 497 1HB HIS 31 HB2 HIS 31 11.512 17.365 0.439 498 2HB HIS 31 HB1 HIS 31 11.463 17.088 -1.299 499 HD1 HIS 31 HD1 HIS 31 10.148 14.803 -2.001 500 HD2 HIS 31 HD2 HIS 31 9.398 16.322 1.788 501 HE1 HIS 31 HE1 HIS 31 7.976 13.772 -1.281 502 HE2 HIS 31 HE2 HIS 31 7.659 14.546 1.093 503 HA PRO 32 HA PRO 32 13.211 12.982 2.872 504 1HB PRO 32 HB2 PRO 32 15.830 12.562 3.321 505 2HB PRO 32 HB1 PRO 32 14.973 11.778 1.988 506 1HG PRO 32 HG2 PRO 32 16.747 14.189 1.941 507 2HG PRO 32 HG1 PRO 32 16.682 12.826 0.809 508 1HD PRO 32 HD2 PRO 32 15.494 15.240 0.333 509 2HD PRO 32 HD1 PRO 32 14.904 13.708 -0.341 510 H ARG 33 HN ARG 33 15.482 15.695 2.736 511 HA ARG 33 HA ARG 33 14.754 16.356 5.505 512 1HB ARG 33 HB2 ARG 33 17.554 16.707 4.449 513 2HB ARG 33 HB1 ARG 33 16.999 16.826 6.113 514 1HG ARG 33 HG2 ARG 33 17.774 14.748 6.323 515 2HG ARG 33 HG1 ARG 33 16.305 14.267 5.472 516 1HD ARG 33 HD2 ARG 33 17.594 13.383 3.892 517 2HD ARG 33 HD1 ARG 33 18.104 15.018 3.471 518 HE ARG 33 HE ARG 33 20.126 14.614 4.474 519 1HH1 ARG 33 HH11 ARG 33 17.874 12.117 5.407 520 2HH1 ARG 33 HH12 ARG 33 19.083 11.135 6.164 521 1HH2 ARG 33 HH21 ARG 33 21.717 13.324 5.469 522 2HH2 ARG 33 HH22 ARG 33 21.264 11.821 6.201 Start of MODEL 33 1 H CYS 1 HT1 CYS 1 6.869 26.079 -5.110 2 HA CYS 1 HA CYS 1 7.683 23.836 -5.289 3 1HB CYS 1 HB2 CYS 1 10.129 25.258 -6.362 4 2HB CYS 1 HB1 CYS 1 10.098 23.565 -5.881 5 HG CYS 1 HG CYS 1 8.727 24.725 -8.403 6 H GLY 2 HN GLY 2 8.854 22.935 -3.529 7 1HA GLY 2 HA2 GLY 2 10.115 23.001 -1.559 8 2HA GLY 2 HA1 GLY 2 10.283 24.740 -1.751 9 H GLY 3 HN GLY 3 9.794 23.917 0.724 10 1HA GLY 3 HA2 GLY 3 8.392 24.648 2.435 11 2HA GLY 3 HA1 GLY 3 7.166 25.026 1.234 12 H ASP 4 HN ASP 4 8.811 21.934 1.667 13 HA ASP 4 HA ASP 4 8.049 19.851 2.178 14 1HB ASP 4 HB2 ASP 4 5.906 21.372 3.664 15 2HB ASP 4 HB1 ASP 4 6.246 19.653 3.839 16 H ASN 5 HN ASN 5 6.847 21.566 -0.080 17 HA ASN 5 HA ASN 5 4.209 20.866 -0.578 18 1HB ASN 5 HB2 ASN 5 6.099 22.287 -1.934 19 2HB ASN 5 HB1 ASN 5 5.977 20.848 -2.942 20 1HD2 ASN 5 HD21 ASN 5 3.396 20.186 -2.861 21 2HD2 ASN 5 HD22 ASN 5 2.407 21.452 -3.495 22 H ILE 6 HN ILE 6 7.125 19.024 -0.813 23 HA ILE 6 HA ILE 6 6.008 16.869 -2.349 24 HB ILE 6 HB ILE 6 8.491 16.781 -0.648 25 1HG1 ILE 6 HG12 ILE 6 9.136 17.254 -3.381 26 2HG1 ILE 6 HG11 ILE 6 7.965 18.474 -2.895 27 1HG2 ILE 6 HG21 ILE 6 7.597 14.660 -1.567 28 2HG2 ILE 6 HG22 ILE 6 9.211 15.061 -2.153 29 3HG2 ILE 6 HG23 ILE 6 7.807 15.318 -3.189 30 1HD1 ILE 6 HD11 ILE 6 10.575 18.787 -2.575 31 2HD1 ILE 6 HD12 ILE 6 10.223 17.962 -1.057 32 3HD1 ILE 6 HD13 ILE 6 9.396 19.469 -1.453 33 H GLU 7 HN GLU 7 6.865 17.434 1.032 34 HA GLU 7 HA GLU 7 6.218 14.950 2.093 35 1HB GLU 7 HB2 GLU 7 7.274 17.086 3.184 36 2HB GLU 7 HB1 GLU 7 5.611 17.452 3.621 37 1HG GLU 7 HG2 GLU 7 5.759 14.897 4.443 38 2HG GLU 7 HG1 GLU 7 7.438 15.390 4.657 39 H GLN 8 HN GLN 8 4.158 17.482 0.956 40 HA GLN 8 HA GLN 8 1.802 16.575 2.328 41 1HB GLN 8 HB2 GLN 8 2.427 18.941 1.272 42 2HB GLN 8 HB1 GLN 8 1.620 18.250 -0.128 43 1HG GLN 8 HG2 GLN 8 -0.033 19.440 1.024 44 2HG GLN 8 HG1 GLN 8 -0.324 17.745 1.410 45 1HE2 GLN 8 HE21 GLN 8 -0.618 20.561 2.746 46 2HE2 GLN 8 HE22 GLN 8 -0.122 20.249 4.371 47 H LYS 9 HN LYS 9 3.158 16.279 -0.913 48 HA LYS 9 HA LYS 9 1.009 14.935 -2.112 49 1HB LYS 9 HB2 LYS 9 3.352 15.914 -3.022 50 2HB LYS 9 HB1 LYS 9 3.743 14.200 -2.981 51 1HG LYS 9 HG2 LYS 9 1.902 13.694 -4.444 52 2HG LYS 9 HG1 LYS 9 1.359 15.373 -4.397 53 1HD LYS 9 HD2 LYS 9 2.530 15.444 -6.348 54 2HD LYS 9 HD1 LYS 9 3.853 15.786 -5.231 55 1HE LYS 9 HE2 LYS 9 4.877 14.087 -6.286 56 2HE LYS 9 HE1 LYS 9 3.876 13.074 -5.247 57 1HZ LYS 9 HZ1 LYS 9 3.364 12.193 -7.259 58 2HZ LYS 9 HZ2 LYS 9 3.615 13.637 -8.103 59 3HZ LYS 9 HZ3 LYS 9 2.190 13.411 -7.221 60 H ILE 10 HN ILE 10 3.738 13.769 -0.216 61 HA ILE 10 HA ILE 10 3.261 11.007 -0.719 62 HB ILE 10 HB ILE 10 4.657 10.637 1.333 63 1HG1 ILE 10 HG12 ILE 10 5.116 13.619 1.188 64 2HG1 ILE 10 HG11 ILE 10 4.097 12.838 2.393 65 1HG2 ILE 10 HG21 ILE 10 5.737 12.314 -0.919 66 2HG2 ILE 10 HG22 ILE 10 5.663 10.554 -0.830 67 3HG2 ILE 10 HG23 ILE 10 6.745 11.446 0.238 68 1HD1 ILE 10 HD11 ILE 10 6.308 13.337 3.270 69 2HD1 ILE 10 HD12 ILE 10 7.037 12.348 2.005 70 3HD1 ILE 10 HD13 ILE 10 6.009 11.600 3.229 71 H ASP 11 HN ASP 11 2.341 13.208 1.917 72 HA ASP 11 HA ASP 11 1.217 11.413 3.683 73 1HB ASP 11 HB2 ASP 11 1.445 13.948 3.928 74 2HB ASP 11 HB1 ASP 11 -0.063 14.068 3.028 75 H ASP 12 HN ASP 12 -0.022 12.655 0.671 76 HA ASP 12 HA ASP 12 -2.677 11.673 0.926 77 1HB ASP 12 HB2 ASP 12 -1.856 13.410 -0.741 78 2HB ASP 12 HB1 ASP 12 -1.171 12.076 -1.664 79 H ILE 13 HN ILE 13 0.248 10.430 -0.622 80 HA ILE 13 HA ILE 13 -0.825 8.019 -1.573 81 HB ILE 13 HB ILE 13 2.014 8.478 -0.653 82 1HG1 ILE 13 HG12 ILE 13 0.697 9.084 -3.305 83 2HG1 ILE 13 HG11 ILE 13 1.412 10.243 -2.190 84 1HG2 ILE 13 HG21 ILE 13 0.788 6.169 -1.537 85 2HG2 ILE 13 HG22 ILE 13 2.523 6.486 -1.525 86 3HG2 ILE 13 HG23 ILE 13 1.580 6.794 -2.982 87 1HD1 ILE 13 HD11 ILE 13 3.614 9.232 -2.588 88 2HD1 ILE 13 HD12 ILE 13 2.881 9.869 -4.060 89 3HD1 ILE 13 HD13 ILE 13 2.877 8.132 -3.753 90 H ASP 14 HN ASP 14 0.836 8.802 1.473 91 HA ASP 14 HA ASP 14 0.983 6.330 2.650 92 1HB ASP 14 HB2 ASP 14 1.508 8.842 3.491 93 2HB ASP 14 HB1 ASP 14 0.051 8.513 4.424 94 H HIS 15 HN HIS 15 -1.840 8.348 2.205 95 HA HIS 15 HA HIS 15 -3.530 6.809 3.939 96 1HB HIS 15 HB2 HIS 15 -3.783 9.283 3.099 97 2HB HIS 15 HB1 HIS 15 -4.588 8.531 1.727 98 HD1 HIS 15 HD1 HIS 15 -5.578 6.334 4.182 99 HD2 HIS 15 HD2 HIS 15 -6.519 10.320 3.479 100 HE1 HIS 15 HE1 HIS 15 -7.761 6.729 5.368 101 HE2 HIS 15 HE2 HIS 15 -8.351 9.125 4.859 102 H GLU 16 HN GLU 16 -2.598 6.731 0.588 103 HA GLU 16 HA GLU 16 -4.691 4.883 -0.153 104 1HB GLU 16 HB2 GLU 16 -2.265 5.561 -1.800 105 2HB GLU 16 HB1 GLU 16 -3.844 5.021 -2.358 106 1HG GLU 16 HG2 GLU 16 -4.830 7.109 -1.908 107 2HG GLU 16 HG1 GLU 16 -3.449 7.640 -0.947 108 H ILE 17 HN ILE 17 -1.300 4.786 0.687 109 HA ILE 17 HA ILE 17 -0.728 2.159 -0.158 110 HB ILE 17 HB ILE 17 0.548 3.600 2.171 111 1HG1 ILE 17 HG12 ILE 17 1.668 3.673 -0.597 112 2HG1 ILE 17 HG11 ILE 17 0.376 4.790 -0.180 113 1HG2 ILE 17 HG21 ILE 17 1.607 1.628 2.303 114 2HG2 ILE 17 HG22 ILE 17 2.505 2.206 0.899 115 3HG2 ILE 17 HG23 ILE 17 1.115 1.141 0.681 116 1HD1 ILE 17 HD11 ILE 17 1.795 6.120 0.866 117 2HD1 ILE 17 HD12 ILE 17 3.103 5.107 0.258 118 3HD1 ILE 17 HD13 ILE 17 2.408 4.790 1.848 119 H ALA 18 HN ALA 18 -2.118 3.492 2.771 120 HA ALA 18 HA ALA 18 -2.024 1.028 4.243 121 1HB ALA 18 HB1 ALA 18 -2.056 2.664 5.787 122 2HB ALA 18 HB2 ALA 18 -3.806 2.535 5.607 123 3HB ALA 18 HB3 ALA 18 -2.919 3.785 4.735 124 H ASP 19 HN ASP 19 -4.439 2.779 2.357 125 HA ASP 19 HA ASP 19 -6.727 1.385 3.062 126 1HB ASP 19 HB2 ASP 19 -6.198 3.363 1.300 127 2HB ASP 19 HB1 ASP 19 -6.428 2.020 0.184 128 H LEU 20 HN LEU 20 -4.315 0.583 0.592 129 HA LEU 20 HA LEU 20 -5.612 -1.752 -0.337 130 1HB LEU 20 HB2 LEU 20 -2.644 -1.322 -0.422 131 2HB LEU 20 HB1 LEU 20 -3.648 -2.211 -1.551 132 HG LEU 20 HG LEU 20 -3.330 0.761 -1.272 133 1HD1 LEU 20 HD11 LEU 20 -1.783 -0.055 -2.783 134 2HD1 LEU 20 HD12 LEU 20 -3.130 0.400 -3.823 135 3HD1 LEU 20 HD13 LEU 20 -2.877 -1.292 -3.396 136 1HD2 LEU 20 HD21 LEU 20 -5.476 -0.631 -2.870 137 2HD2 LEU 20 HD22 LEU 20 -5.175 1.105 -2.783 138 3HD2 LEU 20 HD23 LEU 20 -5.753 0.237 -1.361 139 H GLN 21 HN GLN 21 -2.900 -1.303 1.923 140 HA GLN 21 HA GLN 21 -2.353 -3.923 2.537 141 1HB GLN 21 HB2 GLN 21 -1.431 -1.563 3.439 142 2HB GLN 21 HB1 GLN 21 -2.393 -2.044 4.830 143 1HG GLN 21 HG2 GLN 21 -1.150 -4.127 4.991 144 2HG GLN 21 HG1 GLN 21 -0.206 -3.684 3.569 145 1HE2 GLN 21 HE21 GLN 21 -1.168 -2.202 6.652 146 2HE2 GLN 21 HE22 GLN 21 0.401 -1.599 7.048 147 H ALA 22 HN ALA 22 -4.980 -1.919 3.732 148 HA ALA 22 HA ALA 22 -5.858 -3.699 5.760 149 1HB ALA 22 HB1 ALA 22 -7.649 -1.763 4.328 150 2HB ALA 22 HB2 ALA 22 -6.423 -1.219 5.473 151 3HB ALA 22 HB3 ALA 22 -7.714 -2.295 6.008 152 H LYS 23 HN LYS 23 -6.601 -3.337 2.345 153 HA LYS 23 HA LYS 23 -8.833 -5.049 2.245 154 1HB LYS 23 HB2 LYS 23 -7.047 -3.741 0.344 155 2HB LYS 23 HB1 LYS 23 -7.609 -5.306 -0.225 156 1HG LYS 23 HG2 LYS 23 -9.210 -3.870 -1.050 157 2HG LYS 23 HG1 LYS 23 -9.952 -4.446 0.445 158 1HD LYS 23 HD2 LYS 23 -10.108 -2.359 1.193 159 2HD LYS 23 HD1 LYS 23 -8.361 -2.159 1.047 160 1HE LYS 23 HE2 LYS 23 -8.522 -1.024 -0.898 161 2HE LYS 23 HE1 LYS 23 -9.871 -2.001 -1.475 162 1HZ LYS 23 HZ1 LYS 23 -10.601 0.239 -1.100 163 2HZ LYS 23 HZ2 LYS 23 -10.014 0.224 0.487 164 3HZ LYS 23 HZ3 LYS 23 -11.320 -0.763 0.060 165 H ARG 24 HN ARG 24 -5.379 -5.663 2.113 166 HA ARG 24 HA ARG 24 -5.592 -8.385 1.290 167 1HB ARG 24 HB2 ARG 24 -3.476 -6.532 2.060 168 2HB ARG 24 HB1 ARG 24 -3.182 -8.162 2.650 169 1HG ARG 24 HG2 ARG 24 -3.783 -8.830 0.191 170 2HG ARG 24 HG1 ARG 24 -3.342 -7.155 -0.142 171 1HD ARG 24 HD2 ARG 24 -1.196 -7.704 -0.089 172 2HD ARG 24 HD1 ARG 24 -1.372 -8.253 1.576 173 HE ARG 24 HE ARG 24 -2.139 -10.113 -0.529 174 1HH1 ARG 24 HH11 ARG 24 0.262 -9.120 1.808 175 2HH1 ARG 24 HH12 ARG 24 1.073 -10.648 1.804 176 1HH2 ARG 24 HH21 ARG 24 -1.068 -12.119 -0.533 177 2HH2 ARG 24 HH22 ARG 24 0.322 -12.349 0.476 178 H THR 25 HN THR 25 -5.109 -6.823 4.446 179 HA THR 25 HA THR 25 -4.877 -9.157 5.974 180 HB THR 25 HB THR 25 -6.231 -6.833 7.203 181 HG1 THR 25 HG1 THR 25 -4.494 -5.505 6.999 182 1HG2 THR 25 HG21 THR 25 -3.618 -7.634 8.197 183 2HG2 THR 25 HG22 THR 25 -4.802 -8.940 8.183 184 3HG2 THR 25 HG23 THR 25 -5.151 -7.442 9.047 185 H ARG 26 HN ARG 26 -7.735 -7.079 5.499 186 HA ARG 26 HA ARG 26 -9.578 -8.546 6.923 187 1HB ARG 26 HB2 ARG 26 -11.283 -7.617 5.299 188 2HB ARG 26 HB1 ARG 26 -10.239 -6.432 6.073 189 1HG ARG 26 HG2 ARG 26 -9.974 -5.639 4.003 190 2HG ARG 26 HG1 ARG 26 -8.830 -6.970 3.821 191 1HD ARG 26 HD2 ARG 26 -10.096 -7.884 2.242 192 2HD ARG 26 HD1 ARG 26 -11.479 -7.930 3.334 193 HE ARG 26 HE ARG 26 -10.983 -6.027 1.238 194 1HH1 ARG 26 HH11 ARG 26 -12.643 -6.593 4.255 195 2HH1 ARG 26 HH12 ARG 26 -13.861 -5.400 3.953 196 1HH2 ARG 26 HH21 ARG 26 -12.585 -4.458 0.839 197 2HH2 ARG 26 HH22 ARG 26 -13.829 -4.188 2.013 198 H LEU 27 HN LEU 27 -8.568 -8.976 3.560 199 HA LEU 27 HA LEU 27 -10.325 -11.088 2.945 200 1HB LEU 27 HB2 LEU 27 -8.101 -9.758 1.698 201 2HB LEU 27 HB1 LEU 27 -7.927 -11.492 1.510 202 HG LEU 27 HG LEU 27 -10.522 -11.203 0.805 203 1HD1 LEU 27 HD11 LEU 27 -10.879 -8.958 0.754 204 2HD1 LEU 27 HD12 LEU 27 -10.248 -9.177 -0.878 205 3HD1 LEU 27 HD13 LEU 27 -9.193 -8.583 0.402 206 1HD2 LEU 27 HD21 LEU 27 -8.637 -10.634 -1.380 207 2HD2 LEU 27 HD22 LEU 27 -9.806 -11.942 -1.196 208 3HD2 LEU 27 HD23 LEU 27 -8.243 -12.036 -0.385 209 H VAL 28 HN VAL 28 -7.126 -10.993 4.431 210 HA VAL 28 HA VAL 28 -6.604 -13.760 4.403 211 HB VAL 28 HB VAL 28 -5.725 -11.784 6.505 212 1HG1 VAL 28 HG11 VAL 28 -4.680 -14.480 5.669 213 2HG1 VAL 28 HG12 VAL 28 -5.291 -13.996 7.251 214 3HG1 VAL 28 HG13 VAL 28 -3.761 -13.348 6.661 215 1HG2 VAL 28 HG21 VAL 28 -5.135 -11.819 3.735 216 2HG2 VAL 28 HG22 VAL 28 -3.688 -12.347 4.593 217 3HG2 VAL 28 HG23 VAL 28 -4.431 -10.799 4.989 218 H GLN 29 HN GLN 29 -8.212 -11.680 6.768 219 HA GLN 29 HA GLN 29 -8.657 -13.505 8.801 220 1HB GLN 29 HB2 GLN 29 -10.160 -11.108 7.816 221 2HB GLN 29 HB1 GLN 29 -10.888 -12.122 9.053 222 1HG GLN 29 HG2 GLN 29 -9.723 -10.255 10.052 223 2HG GLN 29 HG1 GLN 29 -8.945 -11.775 10.489 224 1HE2 GLN 29 HE21 GLN 29 -7.016 -12.371 9.300 225 2HE2 GLN 29 HE22 GLN 29 -5.973 -11.130 8.703 226 H GLN 30 HN GLN 30 -10.227 -13.128 5.711 227 HA GLN 30 HA GLN 30 -12.430 -14.857 6.239 228 1HB GLN 30 HB2 GLN 30 -11.212 -14.152 3.564 229 2HB GLN 30 HB1 GLN 30 -12.829 -14.780 3.849 230 1HG GLN 30 HG2 GLN 30 -12.785 -12.531 5.409 231 2HG GLN 30 HG1 GLN 30 -11.816 -12.054 4.016 232 1HE2 GLN 30 HE21 GLN 30 -14.682 -14.109 4.411 233 2HE2 GLN 30 HE22 GLN 30 -15.656 -13.268 3.258 234 H HIS 31 HN HIS 31 -9.134 -15.301 5.139 235 HA HIS 31 HA HIS 31 -9.556 -18.199 5.297 236 1HB HIS 31 HB2 HIS 31 -8.243 -18.615 3.292 237 2HB HIS 31 HB1 HIS 31 -9.628 -17.601 2.905 238 HD1 HIS 31 HD1 HIS 31 -8.870 -14.868 3.097 239 HD2 HIS 31 HD2 HIS 31 -6.022 -17.704 2.065 240 HE1 HIS 31 HE1 HIS 31 -7.055 -13.601 1.916 241 HE2 HIS 31 HE2 HIS 31 -5.247 -15.306 1.512 242 HA PRO 32 HA PRO 32 -5.776 -16.785 7.604 243 1HB PRO 32 HB2 PRO 32 -6.415 -17.846 9.995 244 2HB PRO 32 HB1 PRO 32 -7.022 -16.267 9.478 245 1HG PRO 32 HG2 PRO 32 -8.394 -18.928 9.444 246 2HG PRO 32 HG1 PRO 32 -9.031 -17.347 9.930 247 1HD PRO 32 HD2 PRO 32 -9.504 -18.474 7.489 248 2HD PRO 32 HD1 PRO 32 -9.469 -16.722 7.765 249 H ARG 33 HN ARG 33 -5.463 -18.708 5.834 250 HA ARG 33 HA ARG 33 -3.977 -20.722 7.268 251 1HB ARG 33 HB2 ARG 33 -6.501 -21.355 5.802 252 2HB ARG 33 HB1 ARG 33 -5.171 -22.502 5.716 253 1HG ARG 33 HG2 ARG 33 -5.818 -23.348 7.652 254 2HG ARG 33 HG1 ARG 33 -5.440 -21.808 8.426 255 1HD ARG 33 HD2 ARG 33 -7.651 -22.057 8.999 256 2HD ARG 33 HD1 ARG 33 -7.791 -21.112 7.516 257 HE ARG 33 HE ARG 33 -8.789 -22.908 6.503 258 1HH1 ARG 33 HH11 ARG 33 -7.299 -23.967 9.475 259 2HH1 ARG 33 HH12 ARG 33 -8.011 -25.545 9.417 260 1HH2 ARG 33 HH21 ARG 33 -9.726 -24.983 6.424 261 2HH2 ARG 33 HH22 ARG 33 -9.387 -26.121 7.684 262 H CYS 1 HN CYS 1 -15.678 -26.990 0.698 263 HA CYS 1 HA CYS 1 -14.578 -25.503 -1.338 264 1HB CYS 1 HB2 CYS 1 -16.878 -25.260 -0.281 265 2HB CYS 1 HB1 CYS 1 -16.106 -24.269 0.952 266 HG CYS 1 HG CYS 1 -16.656 -22.456 -0.620 267 H GLY 2 HN GLY 2 -13.189 -23.775 -1.506 268 1HA GLY 2 HA2 GLY 2 -11.992 -21.953 -0.348 269 2HA GLY 2 HA1 GLY 2 -11.671 -23.103 0.941 270 H GLY 3 HN GLY 3 -11.133 -22.657 -2.552 271 1HA GLY 3 HA2 GLY 3 -8.687 -24.256 -2.339 272 2HA GLY 3 HA1 GLY 3 -9.468 -23.757 -3.832 273 H ASP 4 HN ASP 4 -8.531 -21.791 -1.033 274 HA ASP 4 HA ASP 4 -7.147 -19.995 -0.825 275 1HB ASP 4 HB2 ASP 4 -5.742 -21.243 -3.185 276 2HB ASP 4 HB1 ASP 4 -5.089 -19.959 -2.172 277 H ASN 5 HN ASN 5 -9.429 -20.114 -2.881 278 HA ASN 5 HA ASN 5 -8.914 -18.492 -5.067 279 1HB ASN 5 HB2 ASN 5 -11.056 -19.708 -4.638 280 2HB ASN 5 HB1 ASN 5 -11.457 -18.495 -3.426 281 1HD2 ASN 5 HD21 ASN 5 -10.073 -18.324 -6.687 282 2HD2 ASN 5 HD22 ASN 5 -11.242 -17.213 -7.309 283 H ILE 6 HN ILE 6 -9.316 -17.710 -1.713 284 HA ILE 6 HA ILE 6 -9.550 -14.868 -2.129 285 HB ILE 6 HB ILE 6 -8.890 -16.297 0.441 286 1HG1 ILE 6 HG12 ILE 6 -11.666 -15.492 0.153 287 2HG1 ILE 6 HG11 ILE 6 -11.207 -16.651 -1.090 288 1HG2 ILE 6 HG21 ILE 6 -9.795 -14.344 1.512 289 2HG2 ILE 6 HG22 ILE 6 -10.261 -13.660 -0.044 290 3HG2 ILE 6 HG23 ILE 6 -8.556 -13.852 0.359 291 1HD1 ILE 6 HD11 ILE 6 -11.995 -17.974 0.637 292 2HD1 ILE 6 HD12 ILE 6 -11.229 -16.984 1.879 293 3HD1 ILE 6 HD13 ILE 6 -10.246 -18.029 0.852 294 H GLU 7 HN GLU 7 -7.084 -17.142 -1.029 295 HA GLU 7 HA GLU 7 -5.060 -15.351 -0.384 296 1HB GLU 7 HB2 GLU 7 -5.275 -18.031 -0.306 297 2HB GLU 7 HB1 GLU 7 -4.253 -17.869 -1.727 298 1HG GLU 7 HG2 GLU 7 -2.593 -16.679 -0.462 299 2HG GLU 7 HG1 GLU 7 -3.641 -16.650 0.956 300 H GLN 8 HN GLN 8 -6.260 -16.349 -3.473 301 HA GLN 8 HA GLN 8 -3.969 -15.445 -4.960 302 1HB GLN 8 HB2 GLN 8 -5.846 -17.210 -5.583 303 2HB GLN 8 HB1 GLN 8 -6.653 -15.786 -6.222 304 1HG GLN 8 HG2 GLN 8 -5.487 -16.727 -8.026 305 2HG GLN 8 HG1 GLN 8 -4.542 -15.326 -7.524 306 1HE2 GLN 8 HE21 GLN 8 -2.577 -15.644 -6.455 307 2HE2 GLN 8 HE22 GLN 8 -1.738 -17.154 -6.523 308 H LYS 9 HN LYS 9 -7.207 -14.250 -4.232 309 HA LYS 9 HA LYS 9 -7.133 -11.921 -5.784 310 1HB LYS 9 HB2 LYS 9 -8.994 -13.116 -4.193 311 2HB LYS 9 HB1 LYS 9 -8.562 -11.721 -3.214 312 1HG LYS 9 HG2 LYS 9 -9.272 -10.207 -4.850 313 2HG LYS 9 HG1 LYS 9 -9.295 -11.446 -6.107 314 1HD LYS 9 HD2 LYS 9 -11.523 -11.387 -5.677 315 2HD LYS 9 HD1 LYS 9 -11.057 -12.530 -4.414 316 1HE LYS 9 HE2 LYS 9 -10.686 -10.284 -3.052 317 2HE LYS 9 HE1 LYS 9 -11.878 -9.682 -4.203 318 1HZ LYS 9 HZ1 LYS 9 -13.508 -10.941 -3.312 319 2HZ LYS 9 HZ2 LYS 9 -12.541 -10.845 -1.927 320 3HZ LYS 9 HZ3 LYS 9 -12.478 -12.221 -2.908 321 H ILE 10 HN ILE 10 -5.956 -12.595 -2.532 322 HA ILE 10 HA ILE 10 -5.360 -9.890 -1.887 323 HB ILE 10 HB ILE 10 -3.841 -10.885 -0.151 324 1HG1 ILE 10 HG12 ILE 10 -5.086 -13.496 -1.023 325 2HG1 ILE 10 HG11 ILE 10 -3.428 -13.021 -1.380 326 1HG2 ILE 10 HG21 ILE 10 -6.401 -12.208 0.340 327 2HG2 ILE 10 HG22 ILE 10 -6.533 -10.531 -0.189 328 3HG2 ILE 10 HG23 ILE 10 -5.588 -10.932 1.245 329 1HD1 ILE 10 HD11 ILE 10 -3.499 -14.514 0.516 330 2HD1 ILE 10 HD12 ILE 10 -4.608 -13.430 1.356 331 3HD1 ILE 10 HD13 ILE 10 -2.956 -12.914 1.018 332 H ASP 11 HN ASP 11 -3.422 -12.566 -3.197 333 HA ASP 11 HA ASP 11 -0.913 -11.439 -3.163 334 1HB ASP 11 HB2 ASP 11 -1.765 -13.740 -4.101 335 2HB ASP 11 HB1 ASP 11 -1.830 -12.874 -5.633 336 H ASP 12 HN ASP 12 -3.611 -10.785 -5.274 337 HA ASP 12 HA ASP 12 -2.225 -9.167 -7.156 338 1HB ASP 12 HB2 ASP 12 -4.457 -10.138 -7.606 339 2HB ASP 12 HB1 ASP 12 -5.151 -9.095 -6.369 340 H ILE 13 HN ILE 13 -4.139 -8.450 -4.267 341 HA ILE 13 HA ILE 13 -3.866 -5.659 -4.316 342 HB ILE 13 HB ILE 13 -4.085 -7.392 -1.852 343 1HG1 ILE 13 HG12 ILE 13 -6.244 -6.309 -3.672 344 2HG1 ILE 13 HG11 ILE 13 -5.842 -8.003 -3.409 345 1HG2 ILE 13 HG21 ILE 13 -3.727 -4.667 -2.066 346 2HG2 ILE 13 HG22 ILE 13 -4.378 -5.522 -0.668 347 3HG2 ILE 13 HG23 ILE 13 -5.472 -4.835 -1.868 348 1HD1 ILE 13 HD11 ILE 13 -6.418 -6.769 -0.901 349 2HD1 ILE 13 HD12 ILE 13 -7.243 -8.103 -1.706 350 3HD1 ILE 13 HD13 ILE 13 -7.722 -6.439 -2.040 351 H ASP 14 HN ASP 14 -1.917 -8.168 -2.722 352 HA ASP 14 HA ASP 14 -0.111 -6.635 -1.337 353 1HB ASP 14 HB2 ASP 14 -0.339 -9.281 -1.826 354 2HB ASP 14 HB1 ASP 14 1.056 -8.908 -2.835 355 H HIS 15 HN HIS 15 -0.289 -7.195 -4.785 356 HA HIS 15 HA HIS 15 2.284 -6.069 -5.364 357 1HB HIS 15 HB2 HIS 15 0.867 -7.715 -6.794 358 2HB HIS 15 HB1 HIS 15 0.035 -6.266 -7.349 359 HD1 HIS 15 HD1 HIS 15 3.254 -5.033 -6.943 360 HD2 HIS 15 HD2 HIS 15 1.573 -7.661 -9.688 361 HE1 HIS 15 HE1 HIS 15 4.790 -4.998 -8.934 362 HE2 HIS 15 HE2 HIS 15 3.800 -6.665 -10.544 363 H GLU 16 HN GLU 16 -0.965 -4.895 -4.983 364 HA GLU 16 HA GLU 16 -0.376 -2.318 -6.155 365 1HB GLU 16 HB2 GLU 16 -2.823 -3.006 -4.543 366 2HB GLU 16 HB1 GLU 16 -2.651 -1.784 -5.798 367 1HG GLU 16 HG2 GLU 16 -2.629 -3.398 -7.509 368 2HG GLU 16 HG1 GLU 16 -2.376 -4.718 -6.366 369 H ILE 17 HN ILE 17 -0.650 -3.748 -2.974 370 HA ILE 17 HA ILE 17 -0.718 -1.373 -1.456 371 HB ILE 17 HB ILE 17 0.486 -4.002 -0.586 372 1HG1 ILE 17 HG12 ILE 17 -2.358 -3.267 -0.047 373 2HG1 ILE 17 HG11 ILE 17 -1.948 -3.941 -1.619 374 1HG2 ILE 17 HG21 ILE 17 0.911 -2.749 1.226 375 2HG2 ILE 17 HG22 ILE 17 -0.811 -2.944 1.558 376 3HG2 ILE 17 HG23 ILE 17 -0.228 -1.490 0.746 377 1HD1 ILE 17 HD11 ILE 17 -1.901 -5.985 -0.782 378 2HD1 ILE 17 HD12 ILE 17 -2.500 -5.320 0.738 379 3HD1 ILE 17 HD13 ILE 17 -0.765 -5.502 0.477 380 H ALA 18 HN ALA 18 1.879 -3.265 -2.849 381 HA ALA 18 HA ALA 18 3.975 -1.843 -1.481 382 1HB ALA 18 HB1 ALA 18 3.796 -4.084 -3.386 383 2HB ALA 18 HB2 ALA 18 4.813 -3.882 -1.959 384 3HB ALA 18 HB3 ALA 18 5.265 -3.110 -3.479 385 H ASP 19 HN ASP 19 2.426 -1.728 -4.640 386 HA ASP 19 HA ASP 19 4.208 -0.114 -6.020 387 1HB ASP 19 HB2 ASP 19 1.750 -1.180 -6.560 388 2HB ASP 19 HB1 ASP 19 1.371 0.538 -6.470 389 H LEU 20 HN LEU 20 1.541 0.836 -3.886 390 HA LEU 20 HA LEU 20 1.911 3.626 -4.190 391 1HB LEU 20 HB2 LEU 20 0.756 2.342 -1.738 392 2HB LEU 20 HB1 LEU 20 0.353 3.893 -2.451 393 HG LEU 20 HG LEU 20 -0.430 1.154 -3.408 394 1HD1 LEU 20 HD11 LEU 20 -1.925 3.600 -2.504 395 2HD1 LEU 20 HD12 LEU 20 -1.906 1.999 -1.766 396 3HD1 LEU 20 HD13 LEU 20 -2.697 2.241 -3.322 397 1HD2 LEU 20 HD21 LEU 20 -0.268 1.899 -5.505 398 2HD2 LEU 20 HD22 LEU 20 0.022 3.559 -4.981 399 3HD2 LEU 20 HD23 LEU 20 -1.629 2.951 -5.119 400 H GLN 21 HN GLN 21 2.919 1.356 -1.645 401 HA GLN 21 HA GLN 21 4.188 3.112 0.061 402 1HB GLN 21 HB2 GLN 21 3.862 0.435 0.019 403 2HB GLN 21 HB1 GLN 21 5.570 0.532 -0.390 404 1HG GLN 21 HG2 GLN 21 6.164 1.269 1.662 405 2HG GLN 21 HG1 GLN 21 4.664 2.165 1.896 406 1HE2 GLN 21 HE21 GLN 21 4.049 1.412 3.838 407 2HE2 GLN 21 HE22 GLN 21 3.698 -0.244 4.183 408 H ALA 22 HN ALA 22 5.333 1.770 -2.968 409 HA ALA 22 HA ALA 22 8.040 2.595 -2.695 410 1HB ALA 22 HB1 ALA 22 7.072 0.838 -4.286 411 2HB ALA 22 HB2 ALA 22 8.339 1.897 -4.907 412 3HB ALA 22 HB3 ALA 22 6.654 2.200 -5.326 413 H LYS 23 HN LYS 23 5.139 4.091 -3.994 414 HA LYS 23 HA LYS 23 6.399 6.273 -5.273 415 1HB LYS 23 HB2 LYS 23 3.610 5.949 -4.163 416 2HB LYS 23 HB1 LYS 23 4.131 7.350 -5.088 417 1HG LYS 23 HG2 LYS 23 4.017 6.263 -7.044 418 2HG LYS 23 HG1 LYS 23 4.669 4.768 -6.370 419 1HD LYS 23 HD2 LYS 23 2.628 3.906 -6.043 420 2HD LYS 23 HD1 LYS 23 2.010 5.412 -5.362 421 1HE LYS 23 HE2 LYS 23 0.738 5.242 -7.265 422 2HE LYS 23 HE1 LYS 23 2.087 6.214 -7.852 423 1HZ LYS 23 HZ1 LYS 23 2.116 4.658 -9.457 424 2HZ LYS 23 HZ2 LYS 23 1.345 3.486 -8.511 425 3HZ LYS 23 HZ3 LYS 23 3.003 3.764 -8.326 426 H ARG 24 HN ARG 24 5.346 5.709 -1.975 427 HA ARG 24 HA ARG 24 5.616 8.408 -1.099 428 1HB ARG 24 HB2 ARG 24 4.957 5.828 0.075 429 2HB ARG 24 HB1 ARG 24 5.962 6.796 1.144 430 1HG ARG 24 HG2 ARG 24 4.233 8.677 0.520 431 2HG ARG 24 HG1 ARG 24 3.204 7.290 0.166 432 1HD ARG 24 HD2 ARG 24 2.794 7.019 2.328 433 2HD ARG 24 HD1 ARG 24 4.516 6.831 2.647 434 HE ARG 24 HE ARG 24 3.497 9.547 2.409 435 1HH1 ARG 24 HH11 ARG 24 4.498 6.944 4.514 436 2HH1 ARG 24 HH12 ARG 24 4.756 7.981 5.875 437 1HH2 ARG 24 HH21 ARG 24 3.836 10.906 4.201 438 2HH2 ARG 24 HH22 ARG 24 4.380 10.227 5.698 439 H THR 25 HN THR 25 7.719 5.554 -0.934 440 HA THR 25 HA THR 25 9.789 6.707 0.562 441 HB THR 25 HB THR 25 10.570 4.759 -1.511 442 HG1 THR 25 HG1 THR 25 9.341 3.126 -0.730 443 1HG2 THR 25 HG21 THR 25 11.086 5.239 1.346 444 2HG2 THR 25 HG22 THR 25 12.174 4.710 0.061 445 3HG2 THR 25 HG23 THR 25 11.079 3.555 0.821 446 H ARG 26 HN ARG 26 9.572 6.244 -2.969 447 HA ARG 26 HA ARG 26 11.903 7.506 -3.715 448 1HB ARG 26 HB2 ARG 26 10.831 7.947 -5.880 449 2HB ARG 26 HB1 ARG 26 10.477 6.323 -5.306 450 1HG ARG 26 HG2 ARG 26 8.264 6.958 -4.665 451 2HG ARG 26 HG1 ARG 26 8.605 8.658 -4.993 452 1HD ARG 26 HD2 ARG 26 7.294 7.284 -6.744 453 2HD ARG 26 HD1 ARG 26 8.581 8.354 -7.290 454 HE ARG 26 HE ARG 26 8.591 5.444 -7.309 455 1HH1 ARG 26 HH11 ARG 26 10.399 8.400 -7.763 456 2HH1 ARG 26 HH12 ARG 26 11.644 7.640 -8.694 457 1HH2 ARG 26 HH21 ARG 26 10.231 4.448 -8.533 458 2HH2 ARG 26 HH22 ARG 26 11.549 5.399 -9.130 459 H LEU 27 HN LEU 27 8.757 8.942 -3.015 460 HA LEU 27 HA LEU 27 9.437 11.597 -3.673 461 1HB LEU 27 HB2 LEU 27 7.330 10.330 -1.965 462 2HB LEU 27 HB1 LEU 27 7.547 12.068 -1.921 463 HG LEU 27 HG LEU 27 7.207 10.734 -4.570 464 1HD1 LEU 27 HD11 LEU 27 5.429 10.040 -2.747 465 2HD1 LEU 27 HD12 LEU 27 4.956 10.432 -4.400 466 3HD1 LEU 27 HD13 LEU 27 4.777 11.635 -3.122 467 1HD2 LEU 27 HD21 LEU 27 7.540 12.947 -4.953 468 2HD2 LEU 27 HD22 LEU 27 6.903 13.431 -3.380 469 3HD2 LEU 27 HD23 LEU 27 5.798 12.990 -4.683 470 H VAL 28 HN VAL 28 9.733 9.693 -0.713 471 HA VAL 28 HA VAL 28 10.512 11.800 0.995 472 HB VAL 28 HB VAL 28 11.390 8.923 1.201 473 1HG1 VAL 28 HG11 VAL 28 11.040 9.773 3.733 474 2HG1 VAL 28 HG12 VAL 28 11.543 11.278 2.964 475 3HG1 VAL 28 HG13 VAL 28 12.579 9.855 2.876 476 1HG2 VAL 28 HG21 VAL 28 8.752 10.036 1.352 477 2HG2 VAL 28 HG22 VAL 28 9.226 9.411 2.931 478 3HG2 VAL 28 HG23 VAL 28 9.263 8.357 1.519 479 H GLN 29 HN GLN 29 12.366 9.525 -0.982 480 HA GLN 29 HA GLN 29 14.940 10.248 -0.271 481 1HB GLN 29 HB2 GLN 29 13.897 9.464 -3.002 482 2HB GLN 29 HB1 GLN 29 15.598 9.509 -2.557 483 1HG GLN 29 HG2 GLN 29 13.472 7.706 -1.430 484 2HG GLN 29 HG1 GLN 29 14.827 7.249 -2.461 485 1HE2 GLN 29 HE21 GLN 29 13.977 6.456 0.301 486 2HE2 GLN 29 HE22 GLN 29 15.386 6.685 1.274 487 H GLN 30 HN GLN 30 12.593 11.918 -2.207 488 HA GLN 30 HA GLN 30 14.415 13.807 -3.353 489 1HB GLN 30 HB2 GLN 30 11.890 13.066 -3.966 490 2HB GLN 30 HB1 GLN 30 11.559 14.536 -3.061 491 1HG GLN 30 HG2 GLN 30 11.804 15.521 -5.055 492 2HG GLN 30 HG1 GLN 30 13.524 15.404 -4.689 493 1HE2 GLN 30 HE21 GLN 30 10.917 14.225 -6.618 494 2HE2 GLN 30 HE22 GLN 30 11.865 13.261 -7.694 495 H HIS 31 HN HIS 31 12.480 13.602 -0.440 496 HA HIS 31 HA HIS 31 13.809 16.017 0.541 497 1HB HIS 31 HB2 HIS 31 11.759 16.944 1.459 498 2HB HIS 31 HB1 HIS 31 11.598 16.742 -0.282 499 HD1 HIS 31 HD1 HIS 31 10.400 14.283 -0.890 500 HD2 HIS 31 HD2 HIS 31 9.590 16.031 2.786 501 HE1 HIS 31 HE1 HIS 31 8.248 13.253 -0.112 502 HE2 HIS 31 HE2 HIS 31 7.918 14.153 2.215 503 HA PRO 32 HA PRO 32 13.559 12.534 3.646 504 1HB PRO 32 HB2 PRO 32 16.141 11.828 3.743 505 2HB PRO 32 HB1 PRO 32 15.061 11.207 2.488 506 1HG PRO 32 HG2 PRO 32 17.077 13.411 2.332 507 2HG PRO 32 HG1 PRO 32 16.717 12.136 1.153 508 1HD PRO 32 HD2 PRO 32 15.764 14.715 0.992 509 2HD PRO 32 HD1 PRO 32 14.977 13.311 0.246 510 H ARG 33 HN ARG 33 16.017 15.045 3.249 511 HA ARG 33 HA ARG 33 15.546 15.997 5.929 512 1HB ARG 33 HB2 ARG 33 18.048 15.894 6.458 513 2HB ARG 33 HB1 ARG 33 17.136 14.397 6.589 514 1HG ARG 33 HG2 ARG 33 18.100 14.560 3.938 515 2HG ARG 33 HG1 ARG 33 19.439 14.961 5.015 516 1HD ARG 33 HD2 ARG 33 18.824 12.891 6.333 517 2HD ARG 33 HD1 ARG 33 17.754 12.467 4.998 518 HE ARG 33 HE ARG 33 20.172 12.923 3.817 519 1HH1 ARG 33 HH11 ARG 33 19.039 10.831 6.371 520 2HH1 ARG 33 HH12 ARG 33 20.212 9.597 6.050 521 1HH2 ARG 33 HH21 ARG 33 21.715 11.301 3.394 522 2HH2 ARG 33 HH22 ARG 33 21.731 9.863 4.362 Start of MODEL 34 1 H CYS 1 HT1 CYS 1 10.638 14.417 5.931 2 HA CYS 1 HA CYS 1 8.800 15.490 4.826 3 1HB CYS 1 HB2 CYS 1 10.603 16.997 6.708 4 2HB CYS 1 HB1 CYS 1 9.046 17.657 6.221 5 HG CYS 1 HG CYS 1 8.964 16.226 8.498 6 H GLY 2 HN GLY 2 8.317 18.033 4.391 7 1HA GLY 2 HA2 GLY 2 10.258 19.266 2.645 8 2HA GLY 2 HA1 GLY 2 8.879 18.583 1.796 9 H GLY 3 HN GLY 3 6.850 19.162 3.640 10 1HA GLY 3 HA2 GLY 3 5.328 20.853 3.998 11 2HA GLY 3 HA1 GLY 3 6.702 21.689 4.707 12 H ASP 4 HN ASP 4 6.074 20.767 1.340 13 HA ASP 4 HA ASP 4 5.973 23.616 0.635 14 1HB ASP 4 HB2 ASP 4 7.693 21.459 -0.585 15 2HB ASP 4 HB1 ASP 4 7.318 22.954 -1.441 16 H ASN 5 HN ASN 5 6.065 20.814 -1.476 17 HA ASN 5 HA ASN 5 3.204 20.988 -2.006 18 1HB ASN 5 HB2 ASN 5 5.306 21.918 -3.826 19 2HB ASN 5 HB1 ASN 5 4.228 20.735 -4.560 20 1HD2 ASN 5 HD21 ASN 5 1.838 21.285 -3.464 21 2HD2 ASN 5 HD22 ASN 5 1.329 22.883 -3.878 22 H ILE 6 HN ILE 6 6.295 19.442 -2.738 23 HA ILE 6 HA ILE 6 5.261 17.007 -3.718 24 HB ILE 6 HB ILE 6 7.854 17.171 -2.210 25 1HG1 ILE 6 HG12 ILE 6 7.237 18.308 -4.939 26 2HG1 ILE 6 HG11 ILE 6 8.000 19.116 -3.572 27 1HG2 ILE 6 HG21 ILE 6 6.974 15.634 -4.643 28 2HG2 ILE 6 HG22 ILE 6 7.143 15.004 -3.004 29 3HG2 ILE 6 HG23 ILE 6 8.568 15.547 -3.891 30 1HD1 ILE 6 HD11 ILE 6 9.569 18.567 -5.386 31 2HD1 ILE 6 HD12 ILE 6 9.233 16.855 -5.127 32 3HD1 ILE 6 HD13 ILE 6 9.995 17.806 -3.853 33 H GLU 7 HN GLU 7 6.424 17.994 -0.531 34 HA GLU 7 HA GLU 7 6.060 15.631 0.862 35 1HB GLU 7 HB2 GLU 7 7.177 17.579 1.823 36 2HB GLU 7 HB1 GLU 7 5.655 18.460 1.854 37 1HG GLU 7 HG2 GLU 7 5.436 15.936 3.238 38 2HG GLU 7 HG1 GLU 7 6.747 16.918 3.888 39 H GLN 8 HN GLN 8 3.680 17.880 -0.289 40 HA GLN 8 HA GLN 8 1.562 16.866 1.384 41 1HB GLN 8 HB2 GLN 8 1.787 19.230 0.309 42 2HB GLN 8 HB1 GLN 8 1.119 18.457 -1.122 43 1HG GLN 8 HG2 GLN 8 -0.800 17.703 0.311 44 2HG GLN 8 HG1 GLN 8 -0.161 18.746 1.580 45 1HE2 GLN 8 HE21 GLN 8 0.017 21.026 1.111 46 2HE2 GLN 8 HE22 GLN 8 -1.098 21.760 0.013 47 H LYS 9 HN LYS 9 2.684 16.472 -1.924 48 HA LYS 9 HA LYS 9 0.556 14.934 -2.903 49 1HB LYS 9 HB2 LYS 9 3.476 14.949 -3.682 50 2HB LYS 9 HB1 LYS 9 2.217 14.125 -4.590 51 1HG LYS 9 HG2 LYS 9 1.072 16.363 -4.800 52 2HG LYS 9 HG1 LYS 9 2.551 17.077 -4.158 53 1HD LYS 9 HD2 LYS 9 3.068 17.211 -6.363 54 2HD LYS 9 HD1 LYS 9 3.615 15.555 -6.083 55 1HE LYS 9 HE2 LYS 9 1.923 14.652 -7.281 56 2HE LYS 9 HE1 LYS 9 0.765 15.877 -6.766 57 1HZ LYS 9 HZ1 LYS 9 2.544 15.856 -9.066 58 2HZ LYS 9 HZ2 LYS 9 2.351 17.347 -8.292 59 3HZ LYS 9 HZ3 LYS 9 1.001 16.527 -8.897 60 H ILE 10 HN ILE 10 3.422 14.067 -1.061 61 HA ILE 10 HA ILE 10 3.120 11.250 -1.372 62 HB ILE 10 HB ILE 10 4.619 11.091 0.604 63 1HG1 ILE 10 HG12 ILE 10 4.796 14.094 0.387 64 2HG1 ILE 10 HG11 ILE 10 3.929 13.240 1.661 65 1HG2 ILE 10 HG21 ILE 10 6.575 12.217 -0.600 66 2HG2 ILE 10 HG22 ILE 10 5.380 12.677 -1.812 67 3HG2 ILE 10 HG23 ILE 10 5.674 10.973 -1.467 68 1HD1 ILE 10 HD11 ILE 10 6.847 12.817 1.132 69 2HD1 ILE 10 HD12 ILE 10 5.911 12.348 2.551 70 3HD1 ILE 10 HD13 ILE 10 6.236 14.052 2.232 71 H ASP 11 HN ASP 11 2.167 13.551 1.169 72 HA ASP 11 HA ASP 11 1.214 11.804 3.077 73 1HB ASP 11 HB2 ASP 11 1.193 14.501 2.817 74 2HB ASP 11 HB1 ASP 11 -0.512 14.154 2.544 75 H ASP 12 HN ASP 12 -0.189 12.775 0.041 76 HA ASP 12 HA ASP 12 -2.771 11.649 0.462 77 1HB ASP 12 HB2 ASP 12 -1.278 12.832 -1.781 78 2HB ASP 12 HB1 ASP 12 -2.419 11.579 -2.262 79 H ILE 13 HN ILE 13 0.204 10.515 -1.068 80 HA ILE 13 HA ILE 13 -0.750 8.010 -1.915 81 HB ILE 13 HB ILE 13 2.078 8.656 -1.072 82 1HG1 ILE 13 HG12 ILE 13 0.677 9.086 -3.719 83 2HG1 ILE 13 HG11 ILE 13 1.349 10.326 -2.665 84 1HG2 ILE 13 HG21 ILE 13 0.990 6.248 -1.793 85 2HG2 ILE 13 HG22 ILE 13 2.693 6.682 -1.930 86 3HG2 ILE 13 HG23 ILE 13 1.627 6.850 -3.324 87 1HD1 ILE 13 HD11 ILE 13 2.792 9.941 -4.562 88 2HD1 ILE 13 HD12 ILE 13 2.902 8.229 -4.156 89 3HD1 ILE 13 HD13 ILE 13 3.592 9.437 -3.074 90 H ASP 14 HN ASP 14 1.000 8.963 1.039 91 HA ASP 14 HA ASP 14 1.243 6.536 2.291 92 1HB ASP 14 HB2 ASP 14 2.062 8.787 3.113 93 2HB ASP 14 HB1 ASP 14 0.439 9.061 3.739 94 H HIS 15 HN HIS 15 -1.637 8.485 1.908 95 HA HIS 15 HA HIS 15 -3.219 6.985 3.771 96 1HB HIS 15 HB2 HIS 15 -3.568 9.413 2.853 97 2HB HIS 15 HB1 HIS 15 -4.395 8.594 1.531 98 HD1 HIS 15 HD1 HIS 15 -5.206 6.490 4.163 99 HD2 HIS 15 HD2 HIS 15 -6.367 10.363 3.206 100 HE1 HIS 15 HE1 HIS 15 -7.372 6.862 5.383 101 HE2 HIS 15 HE2 HIS 15 -8.009 9.244 4.862 102 H GLU 16 HN GLU 16 -2.399 6.772 0.408 103 HA GLU 16 HA GLU 16 -4.475 4.853 -0.191 104 1HB GLU 16 HB2 GLU 16 -2.124 5.514 -1.948 105 2HB GLU 16 HB1 GLU 16 -3.712 4.931 -2.427 106 1HG GLU 16 HG2 GLU 16 -3.601 7.536 -1.030 107 2HG GLU 16 HG1 GLU 16 -2.961 7.471 -2.671 108 H ILE 17 HN ILE 17 -1.024 4.875 0.450 109 HA ILE 17 HA ILE 17 -0.415 2.238 -0.279 110 HB ILE 17 HB ILE 17 0.875 3.753 1.993 111 1HG1 ILE 17 HG12 ILE 17 1.899 3.839 -0.822 112 2HG1 ILE 17 HG11 ILE 17 0.639 4.959 -0.325 113 1HG2 ILE 17 HG21 ILE 17 1.452 1.284 0.549 114 2HG2 ILE 17 HG22 ILE 17 2.031 1.844 2.117 115 3HG2 ILE 17 HG23 ILE 17 2.826 2.388 0.639 116 1HD1 ILE 17 HD11 ILE 17 2.523 5.141 1.685 117 2HD1 ILE 17 HD12 ILE 17 2.273 6.284 0.365 118 3HD1 ILE 17 HD13 ILE 17 3.474 5.002 0.207 119 H ALA 18 HN ALA 18 -1.770 3.634 2.632 120 HA ALA 18 HA ALA 18 -1.618 1.199 4.160 121 1HB ALA 18 HB1 ALA 18 -2.468 3.973 4.626 122 2HB ALA 18 HB2 ALA 18 -1.602 2.856 5.680 123 3HB ALA 18 HB3 ALA 18 -3.356 2.754 5.540 124 H ASP 19 HN ASP 19 -4.062 2.913 2.293 125 HA ASP 19 HA ASP 19 -6.345 1.560 3.097 126 1HB ASP 19 HB2 ASP 19 -5.725 3.433 1.151 127 2HB ASP 19 HB1 ASP 19 -6.294 2.052 0.219 128 H LEU 20 HN LEU 20 -4.009 0.688 0.576 129 HA LEU 20 HA LEU 20 -5.349 -1.662 -0.254 130 1HB LEU 20 HB2 LEU 20 -2.386 -1.233 -0.455 131 2HB LEU 20 HB1 LEU 20 -3.424 -2.155 -1.523 132 HG LEU 20 HG LEU 20 -3.140 0.829 -1.325 133 1HD1 LEU 20 HD11 LEU 20 -2.913 0.460 -3.845 134 2HD1 LEU 20 HD12 LEU 20 -2.724 -1.248 -3.450 135 3HD1 LEU 20 HD13 LEU 20 -1.580 -0.066 -2.817 136 1HD2 LEU 20 HD21 LEU 20 -5.412 -0.779 -2.429 137 2HD2 LEU 20 HD22 LEU 20 -4.968 0.765 -3.156 138 3HD2 LEU 20 HD23 LEU 20 -5.452 0.695 -1.462 139 H GLN 21 HN GLN 21 -2.549 -1.163 1.889 140 HA GLN 21 HA GLN 21 -2.005 -3.780 2.555 141 1HB GLN 21 HB2 GLN 21 -0.796 -1.630 3.268 142 2HB GLN 21 HB1 GLN 21 -1.940 -1.571 4.601 143 1HG GLN 21 HG2 GLN 21 -1.137 -4.030 4.997 144 2HG GLN 21 HG1 GLN 21 0.271 -3.492 4.082 145 1HE2 GLN 21 HE21 GLN 21 -0.494 -4.116 7.037 146 2HE2 GLN 21 HE22 GLN 21 0.283 -2.839 7.902 147 H ALA 22 HN ALA 22 -4.624 -1.748 3.655 148 HA ALA 22 HA ALA 22 -5.430 -3.443 5.813 149 1HB ALA 22 HB1 ALA 22 -7.442 -1.673 4.582 150 2HB ALA 22 HB2 ALA 22 -5.981 -0.887 5.182 151 3HB ALA 22 HB3 ALA 22 -6.971 -1.857 6.272 152 H LYS 23 HN LYS 23 -6.213 -3.171 2.409 153 HA LYS 23 HA LYS 23 -8.504 -4.848 2.451 154 1HB LYS 23 HB2 LYS 23 -6.620 -4.066 0.225 155 2HB LYS 23 HB1 LYS 23 -8.072 -5.027 -0.026 156 1HG LYS 23 HG2 LYS 23 -9.427 -3.251 0.119 157 2HG LYS 23 HG1 LYS 23 -8.508 -2.529 1.442 158 1HD LYS 23 HD2 LYS 23 -7.423 -1.169 0.046 159 2HD LYS 23 HD1 LYS 23 -6.995 -2.505 -1.022 160 1HE LYS 23 HE2 LYS 23 -8.280 -1.186 -2.409 161 2HE LYS 23 HE1 LYS 23 -9.472 -2.329 -1.793 162 1HZ LYS 23 HZ1 LYS 23 -9.165 0.521 -1.227 163 2HZ LYS 23 HZ2 LYS 23 -9.726 -0.464 0.027 164 3HZ LYS 23 HZ3 LYS 23 -10.573 -0.394 -1.435 165 H ARG 24 HN ARG 24 -5.062 -5.429 2.060 166 HA ARG 24 HA ARG 24 -5.282 -8.139 1.238 167 1HB ARG 24 HB2 ARG 24 -3.257 -6.861 0.817 168 2HB ARG 24 HB1 ARG 24 -2.998 -6.648 2.544 169 1HG ARG 24 HG2 ARG 24 -2.085 -8.682 2.789 170 2HG ARG 24 HG1 ARG 24 -3.222 -9.440 1.671 171 1HD ARG 24 HD2 ARG 24 -1.768 -7.898 -0.023 172 2HD ARG 24 HD1 ARG 24 -0.552 -8.309 1.185 173 HE ARG 24 HE ARG 24 -1.729 -10.065 -0.749 174 1HH1 ARG 24 HH11 ARG 24 -0.223 -9.909 2.394 175 2HH1 ARG 24 HH12 ARG 24 0.325 -11.550 2.351 176 1HH2 ARG 24 HH21 ARG 24 -1.009 -12.224 -0.809 177 2HH2 ARG 24 HH22 ARG 24 -0.120 -12.865 0.533 178 H THR 25 HN THR 25 -4.802 -6.584 4.385 179 HA THR 25 HA THR 25 -4.459 -8.941 5.886 180 HB THR 25 HB THR 25 -5.807 -6.651 7.183 181 HG1 THR 25 HG1 THR 25 -4.372 -5.207 6.662 182 1HG2 THR 25 HG21 THR 25 -3.319 -7.088 8.329 183 2HG2 THR 25 HG22 THR 25 -3.910 -8.692 7.894 184 3HG2 THR 25 HG23 THR 25 -4.882 -7.643 8.927 185 H ARG 26 HN ARG 26 -7.364 -6.906 5.473 186 HA ARG 26 HA ARG 26 -9.159 -8.377 6.942 187 1HB ARG 26 HB2 ARG 26 -10.917 -7.460 5.462 188 2HB ARG 26 HB1 ARG 26 -9.755 -6.240 5.965 189 1HG ARG 26 HG2 ARG 26 -8.644 -6.373 3.813 190 2HG ARG 26 HG1 ARG 26 -9.752 -7.649 3.306 191 1HD ARG 26 HD2 ARG 26 -10.591 -5.669 2.347 192 2HD ARG 26 HD1 ARG 26 -11.626 -6.000 3.735 193 HE ARG 26 HE ARG 26 -9.596 -4.317 4.608 194 1HH1 ARG 26 HH11 ARG 26 -12.263 -4.217 2.359 195 2HH1 ARG 26 HH12 ARG 26 -12.499 -2.509 2.523 196 1HH2 ARG 26 HH21 ARG 26 -9.906 -2.071 4.826 197 2HH2 ARG 26 HH22 ARG 26 -11.161 -1.290 3.923 198 H LEU 27 HN LEU 27 -8.170 -8.872 3.584 199 HA LEU 27 HA LEU 27 -9.905 -11.020 3.030 200 1HB LEU 27 HB2 LEU 27 -7.526 -9.815 1.801 201 2HB LEU 27 HB1 LEU 27 -7.689 -11.534 1.493 202 HG LEU 27 HG LEU 27 -10.133 -10.907 0.807 203 1HD1 LEU 27 HD11 LEU 27 -10.349 -8.695 -0.144 204 2HD1 LEU 27 HD12 LEU 27 -8.714 -8.284 0.370 205 3HD1 LEU 27 HD13 LEU 27 -9.969 -8.575 1.573 206 1HD2 LEU 27 HD21 LEU 27 -8.248 -11.771 -0.628 207 2HD2 LEU 27 HD22 LEU 27 -7.885 -10.089 -1.016 208 3HD2 LEU 27 HD23 LEU 27 -9.448 -10.777 -1.455 209 H VAL 28 HN VAL 28 -6.691 -10.844 4.472 210 HA VAL 28 HA VAL 28 -6.151 -13.612 4.522 211 HB VAL 28 HB VAL 28 -5.224 -11.567 6.535 212 1HG1 VAL 28 HG11 VAL 28 -3.245 -13.095 6.678 213 2HG1 VAL 28 HG12 VAL 28 -4.149 -14.254 5.704 214 3HG1 VAL 28 HG13 VAL 28 -4.751 -13.778 7.292 215 1HG2 VAL 28 HG21 VAL 28 -4.752 -11.611 3.758 216 2HG2 VAL 28 HG22 VAL 28 -3.268 -12.167 4.532 217 3HG2 VAL 28 HG23 VAL 28 -3.962 -10.609 4.975 218 H GLN 29 HN GLN 29 -7.724 -11.445 6.829 219 HA GLN 29 HA GLN 29 -8.100 -13.184 8.952 220 1HB GLN 29 HB2 GLN 29 -8.892 -10.625 8.376 221 2HB GLN 29 HB1 GLN 29 -10.426 -11.481 8.355 222 1HG GLN 29 HG2 GLN 29 -10.267 -12.084 10.588 223 2HG GLN 29 HG1 GLN 29 -8.524 -11.825 10.634 224 1HE2 GLN 29 HE21 GLN 29 -7.744 -9.652 10.610 225 2HE2 GLN 29 HE22 GLN 29 -8.725 -8.367 11.220 226 H GLN 30 HN GLN 30 -9.721 -12.976 5.878 227 HA GLN 30 HA GLN 30 -11.903 -14.693 6.540 228 1HB GLN 30 HB2 GLN 30 -10.763 -14.063 3.811 229 2HB GLN 30 HB1 GLN 30 -12.357 -14.723 4.153 230 1HG GLN 30 HG2 GLN 30 -12.977 -12.658 5.288 231 2HG GLN 30 HG1 GLN 30 -11.375 -11.996 4.967 232 1HE2 GLN 30 HE21 GLN 30 -14.080 -11.117 4.146 233 2HE2 GLN 30 HE22 GLN 30 -14.014 -10.987 2.424 234 H HIS 31 HN HIS 31 -8.636 -15.141 5.356 235 HA HIS 31 HA HIS 31 -9.009 -18.034 5.646 236 1HB HIS 31 HB2 HIS 31 -7.784 -18.524 3.611 237 2HB HIS 31 HB1 HIS 31 -9.174 -17.514 3.231 238 HD1 HIS 31 HD1 HIS 31 -8.361 -14.772 3.350 239 HD2 HIS 31 HD2 HIS 31 -5.630 -17.687 2.227 240 HE1 HIS 31 HE1 HIS 31 -6.581 -13.565 2.057 241 HE2 HIS 31 HE2 HIS 31 -4.833 -15.315 1.595 242 HA PRO 32 HA PRO 32 -5.280 -16.304 7.907 243 1HB PRO 32 HB2 PRO 32 -5.726 -17.903 10.110 244 2HB PRO 32 HB1 PRO 32 -6.303 -16.242 9.941 245 1HG PRO 32 HG2 PRO 32 -7.764 -18.810 9.502 246 2HG PRO 32 HG1 PRO 32 -8.335 -17.307 10.247 247 1HD PRO 32 HD2 PRO 32 -8.995 -17.982 7.729 248 2HD PRO 32 HD1 PRO 32 -8.719 -16.292 8.203 249 H ARG 33 HN ARG 33 -6.524 -19.507 7.239 250 HA ARG 33 HA ARG 33 -3.807 -20.437 6.765 251 1HB ARG 33 HB2 ARG 33 -4.048 -22.446 8.086 252 2HB ARG 33 HB1 ARG 33 -4.308 -21.045 9.116 253 1HG ARG 33 HG2 ARG 33 -6.615 -22.484 7.863 254 2HG ARG 33 HG1 ARG 33 -5.875 -23.064 9.357 255 1HD ARG 33 HD2 ARG 33 -6.868 -21.478 10.569 256 2HD ARG 33 HD1 ARG 33 -6.391 -20.213 9.438 257 HE ARG 33 HE ARG 33 -8.460 -20.345 8.454 258 1HH1 ARG 33 HH11 ARG 33 -8.014 -23.093 10.560 259 2HH1 ARG 33 HH12 ARG 33 -9.663 -23.608 10.442 260 1HH2 ARG 33 HH21 ARG 33 -10.629 -21.023 8.299 261 2HH2 ARG 33 HH22 ARG 33 -11.147 -22.435 9.159 262 H CYS 1 HN CYS 1 -15.133 -25.992 -1.339 263 HA CYS 1 HA CYS 1 -16.044 -23.337 -1.883 264 1HB CYS 1 HB2 CYS 1 -17.327 -24.935 0.272 265 2HB CYS 1 HB1 CYS 1 -16.929 -23.261 0.642 266 HG CYS 1 HG CYS 1 -18.414 -23.056 -1.832 267 H GLY 2 HN GLY 2 -14.732 -21.808 -0.964 268 1HA GLY 2 HA2 GLY 2 -13.138 -20.956 0.532 269 2HA GLY 2 HA1 GLY 2 -12.937 -22.567 1.203 270 H GLY 3 HN GLY 3 -10.830 -23.015 1.016 271 1HA GLY 3 HA2 GLY 3 -9.019 -23.856 -0.220 272 2HA GLY 3 HA1 GLY 3 -9.709 -23.149 -1.673 273 H ASP 4 HN ASP 4 -8.067 -21.948 -2.446 274 HA ASP 4 HA ASP 4 -6.903 -19.932 -0.637 275 1HB ASP 4 HB2 ASP 4 -5.638 -21.259 -3.035 276 2HB ASP 4 HB1 ASP 4 -4.898 -19.986 -2.071 277 H ASN 5 HN ASN 5 -9.241 -20.020 -2.685 278 HA ASN 5 HA ASN 5 -8.724 -18.393 -4.862 279 1HB ASN 5 HB2 ASN 5 -11.125 -19.035 -3.242 280 2HB ASN 5 HB1 ASN 5 -11.221 -17.577 -4.226 281 1HD2 ASN 5 HD21 ASN 5 -10.381 -17.923 -6.526 282 2HD2 ASN 5 HD22 ASN 5 -10.933 -19.356 -7.319 283 H ILE 6 HN ILE 6 -9.040 -17.621 -1.501 284 HA ILE 6 HA ILE 6 -9.225 -14.774 -1.883 285 HB ILE 6 HB ILE 6 -8.499 -16.238 0.648 286 1HG1 ILE 6 HG12 ILE 6 -11.274 -15.482 -0.294 287 2HG1 ILE 6 HG11 ILE 6 -10.613 -17.113 -0.372 288 1HG2 ILE 6 HG21 ILE 6 -9.335 -14.286 1.770 289 2HG2 ILE 6 HG22 ILE 6 -9.865 -13.585 0.242 290 3HG2 ILE 6 HG23 ILE 6 -8.145 -13.790 0.567 291 1HD1 ILE 6 HD11 ILE 6 -10.502 -15.819 2.266 292 2HD1 ILE 6 HD12 ILE 6 -10.912 -17.476 1.823 293 3HD1 ILE 6 HD13 ILE 6 -12.113 -16.196 1.653 294 H GLU 7 HN GLU 7 -6.768 -17.102 -0.875 295 HA GLU 7 HA GLU 7 -4.683 -15.363 -0.292 296 1HB GLU 7 HB2 GLU 7 -4.968 -18.055 -0.275 297 2HB GLU 7 HB1 GLU 7 -3.941 -17.860 -1.689 298 1HG GLU 7 HG2 GLU 7 -2.338 -16.593 -0.314 299 2HG GLU 7 HG1 GLU 7 -3.353 -16.885 1.097 300 H GLN 8 HN GLN 8 -5.991 -16.352 -3.348 301 HA GLN 8 HA GLN 8 -3.752 -15.431 -4.903 302 1HB GLN 8 HB2 GLN 8 -5.572 -17.227 -5.494 303 2HB GLN 8 HB1 GLN 8 -6.498 -15.833 -6.032 304 1HG GLN 8 HG2 GLN 8 -5.375 -16.747 -7.917 305 2HG GLN 8 HG1 GLN 8 -4.597 -15.218 -7.509 306 1HE2 GLN 8 HE21 GLN 8 -2.511 -15.215 -6.727 307 2HE2 GLN 8 HE22 GLN 8 -1.491 -16.608 -6.780 308 H LYS 9 HN LYS 9 -6.977 -14.266 -4.078 309 HA LYS 9 HA LYS 9 -6.969 -11.934 -5.626 310 1HB LYS 9 HB2 LYS 9 -8.468 -12.891 -3.242 311 2HB LYS 9 HB1 LYS 9 -8.531 -11.169 -3.596 312 1HG LYS 9 HG2 LYS 9 -9.178 -11.896 -5.975 313 2HG LYS 9 HG1 LYS 9 -9.514 -13.466 -5.243 314 1HD LYS 9 HD2 LYS 9 -10.657 -10.988 -4.024 315 2HD LYS 9 HD1 LYS 9 -11.412 -11.682 -5.461 316 1HE LYS 9 HE2 LYS 9 -12.172 -13.503 -4.346 317 2HE LYS 9 HE1 LYS 9 -10.772 -13.565 -3.277 318 1HZ LYS 9 HZ1 LYS 9 -13.256 -12.026 -3.000 319 2HZ LYS 9 HZ2 LYS 9 -11.836 -11.404 -2.323 320 3HZ LYS 9 HZ3 LYS 9 -12.409 -12.920 -1.839 321 H ILE 10 HN ILE 10 -5.677 -12.611 -2.421 322 HA ILE 10 HA ILE 10 -5.096 -9.896 -1.793 323 HB ILE 10 HB ILE 10 -3.523 -10.871 -0.089 324 1HG1 ILE 10 HG12 ILE 10 -4.781 -13.494 -0.907 325 2HG1 ILE 10 HG11 ILE 10 -3.139 -13.015 -1.322 326 1HG2 ILE 10 HG21 ILE 10 -6.295 -12.001 0.119 327 2HG2 ILE 10 HG22 ILE 10 -5.965 -10.272 0.235 328 3HG2 ILE 10 HG23 ILE 10 -5.262 -11.386 1.408 329 1HD1 ILE 10 HD11 ILE 10 -2.597 -12.875 1.065 330 2HD1 ILE 10 HD12 ILE 10 -3.122 -14.488 0.581 331 3HD1 ILE 10 HD13 ILE 10 -4.229 -13.423 1.449 332 H ASP 11 HN ASP 11 -3.173 -12.565 -3.139 333 HA ASP 11 HA ASP 11 -0.670 -11.428 -3.172 334 1HB ASP 11 HB2 ASP 11 -1.703 -13.704 -4.201 335 2HB ASP 11 HB1 ASP 11 -1.478 -12.783 -5.686 336 H ASP 12 HN ASP 12 -3.430 -10.772 -5.202 337 HA ASP 12 HA ASP 12 -2.091 -9.137 -7.109 338 1HB ASP 12 HB2 ASP 12 -4.919 -9.697 -6.368 339 2HB ASP 12 HB1 ASP 12 -4.605 -8.192 -7.229 340 H ILE 13 HN ILE 13 -3.956 -8.457 -4.175 341 HA ILE 13 HA ILE 13 -3.730 -5.659 -4.238 342 HB ILE 13 HB ILE 13 -3.885 -7.378 -1.757 343 1HG1 ILE 13 HG12 ILE 13 -6.109 -6.331 -3.525 344 2HG1 ILE 13 HG11 ILE 13 -5.650 -8.018 -3.328 345 1HG2 ILE 13 HG21 ILE 13 -4.901 -5.455 -0.723 346 2HG2 ILE 13 HG22 ILE 13 -4.857 -4.567 -2.246 347 3HG2 ILE 13 HG23 ILE 13 -3.354 -4.983 -1.424 348 1HD1 ILE 13 HD11 ILE 13 -6.272 -6.688 -0.813 349 2HD1 ILE 13 HD12 ILE 13 -6.837 -8.231 -1.457 350 3HD1 ILE 13 HD13 ILE 13 -7.620 -6.730 -1.950 351 H ASP 14 HN ASP 14 -1.737 -8.121 -2.617 352 HA ASP 14 HA ASP 14 0.069 -6.541 -1.289 353 1HB ASP 14 HB2 ASP 14 -0.148 -9.206 -1.737 354 2HB ASP 14 HB1 ASP 14 1.261 -8.834 -2.725 355 H HIS 15 HN HIS 15 -0.130 -7.194 -4.720 356 HA HIS 15 HA HIS 15 2.431 -6.073 -5.353 357 1HB HIS 15 HB2 HIS 15 0.873 -7.736 -6.707 358 2HB HIS 15 HB1 HIS 15 0.235 -6.236 -7.370 359 HD1 HIS 15 HD1 HIS 15 3.532 -5.311 -6.884 360 HD2 HIS 15 HD2 HIS 15 1.728 -7.945 -9.541 361 HE1 HIS 15 HE1 HIS 15 5.154 -5.558 -8.790 362 HE2 HIS 15 HE2 HIS 15 4.005 -7.094 -10.424 363 H GLU 16 HN GLU 16 -0.814 -4.902 -4.966 364 HA GLU 16 HA GLU 16 -0.270 -2.358 -6.219 365 1HB GLU 16 HB2 GLU 16 -2.666 -3.026 -4.522 366 2HB GLU 16 HB1 GLU 16 -2.540 -1.826 -5.802 367 1HG GLU 16 HG2 GLU 16 -2.148 -4.713 -6.442 368 2HG GLU 16 HG1 GLU 16 -3.777 -4.075 -6.220 369 H ILE 17 HN ILE 17 -0.462 -3.699 -2.994 370 HA ILE 17 HA ILE 17 -0.502 -1.298 -1.527 371 HB ILE 17 HB ILE 17 0.775 -3.895 -0.658 372 1HG1 ILE 17 HG12 ILE 17 -2.059 -3.152 -0.039 373 2HG1 ILE 17 HG11 ILE 17 -1.685 -3.912 -1.580 374 1HG2 ILE 17 HG21 ILE 17 -0.435 -2.804 1.523 375 2HG2 ILE 17 HG22 ILE 17 0.109 -1.365 0.661 376 3HG2 ILE 17 HG23 ILE 17 1.270 -2.613 1.113 377 1HD1 ILE 17 HD11 ILE 17 -0.408 -5.389 0.480 378 2HD1 ILE 17 HD12 ILE 17 -1.700 -5.893 -0.608 379 3HD1 ILE 17 HD13 ILE 17 -2.093 -5.128 0.932 380 H ALA 18 HN ALA 18 2.086 -3.204 -2.926 381 HA ALA 18 HA ALA 18 4.200 -1.700 -1.690 382 1HB ALA 18 HB1 ALA 18 3.977 -4.025 -3.467 383 2HB ALA 18 HB2 ALA 18 5.097 -3.709 -2.142 384 3HB ALA 18 HB3 ALA 18 5.402 -3.021 -3.738 385 H ASP 19 HN ASP 19 2.515 -1.686 -4.775 386 HA ASP 19 HA ASP 19 4.224 -0.104 -6.282 387 1HB ASP 19 HB2 ASP 19 1.659 -1.149 -6.589 388 2HB ASP 19 HB1 ASP 19 1.434 0.591 -6.733 389 H LEU 20 HN LEU 20 1.674 0.882 -4.024 390 HA LEU 20 HA LEU 20 1.984 3.667 -4.456 391 1HB LEU 20 HB2 LEU 20 0.976 2.466 -1.899 392 2HB LEU 20 HB1 LEU 20 0.515 3.981 -2.650 393 HG LEU 20 HG LEU 20 -0.277 1.196 -3.461 394 1HD1 LEU 20 HD11 LEU 20 -1.732 3.644 -2.511 395 2HD1 LEU 20 HD12 LEU 20 -1.697 2.036 -1.789 396 3HD1 LEU 20 HD13 LEU 20 -2.555 2.303 -3.306 397 1HD2 LEU 20 HD21 LEU 20 0.343 2.452 -5.480 398 2HD2 LEU 20 HD22 LEU 20 -0.757 3.746 -5.001 399 3HD2 LEU 20 HD23 LEU 20 -1.393 2.149 -5.397 400 H GLN 21 HN GLN 21 3.132 1.515 -1.862 401 HA GLN 21 HA GLN 21 4.465 3.348 -0.297 402 1HB GLN 21 HB2 GLN 21 4.160 0.700 -0.162 403 2HB GLN 21 HB1 GLN 21 5.812 0.737 -0.762 404 1HG GLN 21 HG2 GLN 21 5.317 2.551 1.474 405 2HG GLN 21 HG1 GLN 21 5.079 0.847 1.857 406 1HE2 GLN 21 HE21 GLN 21 6.840 -0.608 1.490 407 2HE2 GLN 21 HE22 GLN 21 8.467 -0.032 1.543 408 H ALA 22 HN ALA 22 5.434 1.987 -3.363 409 HA ALA 22 HA ALA 22 8.158 2.763 -3.265 410 1HB ALA 22 HB1 ALA 22 6.337 2.138 -5.579 411 2HB ALA 22 HB2 ALA 22 7.518 1.072 -4.816 412 3HB ALA 22 HB3 ALA 22 8.062 2.465 -5.751 413 H LYS 23 HN LYS 23 5.312 4.245 -4.782 414 HA LYS 23 HA LYS 23 6.612 6.498 -5.826 415 1HB LYS 23 HB2 LYS 23 3.795 5.779 -5.198 416 2HB LYS 23 HB1 LYS 23 4.157 7.479 -5.461 417 1HG LYS 23 HG2 LYS 23 3.877 7.067 -7.624 418 2HG LYS 23 HG1 LYS 23 5.430 6.232 -7.562 419 1HD LYS 23 HD2 LYS 23 4.197 4.525 -8.403 420 2HD LYS 23 HD1 LYS 23 3.840 4.258 -6.695 421 1HE LYS 23 HE2 LYS 23 1.904 5.992 -7.218 422 2HE LYS 23 HE1 LYS 23 2.122 5.366 -8.852 423 1HZ LYS 23 HZ1 LYS 23 0.463 4.074 -7.767 424 2HZ LYS 23 HZ2 LYS 23 1.449 3.810 -6.417 425 3HZ LYS 23 HZ3 LYS 23 1.844 3.106 -7.904 426 H ARG 24 HN ARG 24 5.312 5.821 -2.646 427 HA ARG 24 HA ARG 24 5.322 8.461 -1.636 428 1HB ARG 24 HB2 ARG 24 4.086 6.756 -0.492 429 2HB ARG 24 HB1 ARG 24 5.519 5.762 -0.287 430 1HG ARG 24 HG2 ARG 24 4.698 6.985 1.759 431 2HG ARG 24 HG1 ARG 24 6.404 7.198 1.358 432 1HD ARG 24 HD2 ARG 24 6.160 9.389 0.963 433 2HD ARG 24 HD1 ARG 24 4.635 9.159 0.108 434 HE ARG 24 HE ARG 24 3.527 9.671 2.035 435 1HH1 ARG 24 HH11 ARG 24 6.819 8.844 2.844 436 2HH1 ARG 24 HH12 ARG 24 6.665 9.329 4.499 437 1HH2 ARG 24 HH21 ARG 24 3.325 10.318 4.204 438 2HH2 ARG 24 HH22 ARG 24 4.679 10.164 5.273 439 H THR 25 HN THR 25 7.771 5.883 -1.550 440 HA THR 25 HA THR 25 9.650 7.378 -0.024 441 HB THR 25 HB THR 25 10.678 5.286 -1.835 442 HG1 THR 25 HG1 THR 25 9.658 3.645 -0.589 443 1HG2 THR 25 HG21 THR 25 12.171 5.031 -0.230 444 2HG2 THR 25 HG22 THR 25 10.909 4.731 0.965 445 3HG2 THR 25 HG23 THR 25 11.422 6.382 0.618 446 H ARG 26 HN ARG 26 9.704 6.444 -3.482 447 HA ARG 26 HA ARG 26 11.909 7.862 -4.276 448 1HB ARG 26 HB2 ARG 26 10.863 7.998 -6.527 449 2HB ARG 26 HB1 ARG 26 10.781 6.394 -5.813 450 1HG ARG 26 HG2 ARG 26 8.560 6.373 -5.865 451 2HG ARG 26 HG1 ARG 26 8.443 8.002 -5.198 452 1HD ARG 26 HD2 ARG 26 8.899 7.235 -8.077 453 2HD ARG 26 HD1 ARG 26 7.458 7.982 -7.391 454 HE ARG 26 HE ARG 26 9.403 9.761 -6.803 455 1HH1 ARG 26 HH11 ARG 26 8.437 8.192 -9.767 456 2HH1 ARG 26 HH12 ARG 26 8.934 9.510 -10.773 457 1HH2 ARG 26 HH21 ARG 26 10.057 11.496 -8.125 458 2HH2 ARG 26 HH22 ARG 26 9.855 11.386 -9.842 459 H LEU 27 HN LEU 27 8.699 9.069 -3.590 460 HA LEU 27 HA LEU 27 9.116 11.679 -4.656 461 1HB LEU 27 HB2 LEU 27 7.081 10.377 -2.913 462 2HB LEU 27 HB1 LEU 27 7.197 12.128 -2.855 463 HG LEU 27 HG LEU 27 6.845 10.630 -5.441 464 1HD1 LEU 27 HD11 LEU 27 4.447 11.920 -4.642 465 2HD1 LEU 27 HD12 LEU 27 4.961 10.856 -3.334 466 3HD1 LEU 27 HD13 LEU 27 4.727 10.208 -4.957 467 1HD2 LEU 27 HD21 LEU 27 7.692 12.938 -5.557 468 2HD2 LEU 27 HD22 LEU 27 6.273 13.488 -4.665 469 3HD2 LEU 27 HD23 LEU 27 6.085 12.776 -6.268 470 H VAL 28 HN VAL 28 9.478 10.184 -1.481 471 HA VAL 28 HA VAL 28 10.082 12.502 -0.012 472 HB VAL 28 HB VAL 28 11.174 9.734 0.466 473 1HG1 VAL 28 HG11 VAL 28 12.337 11.180 1.882 474 2HG1 VAL 28 HG12 VAL 28 11.021 10.575 2.888 475 3HG1 VAL 28 HG13 VAL 28 10.917 12.184 2.173 476 1HG2 VAL 28 HG21 VAL 28 8.941 10.369 2.134 477 2HG2 VAL 28 HG22 VAL 28 9.134 9.034 0.997 478 3HG2 VAL 28 HG23 VAL 28 8.482 10.576 0.443 479 H GLN 29 HN GLN 29 12.208 10.135 -1.586 480 HA GLN 29 HA GLN 29 14.663 11.265 -0.980 481 1HB GLN 29 HB2 GLN 29 13.649 9.321 -2.847 482 2HB GLN 29 HB1 GLN 29 14.852 10.329 -3.640 483 1HG GLN 29 HG2 GLN 29 15.935 8.410 -2.719 484 2HG GLN 29 HG1 GLN 29 16.423 9.832 -1.798 485 1HE2 GLN 29 HE21 GLN 29 14.806 6.801 -1.734 486 2HE2 GLN 29 HE22 GLN 29 14.478 6.761 -0.039 487 H GLN 30 HN GLN 30 12.240 12.235 -3.278 488 HA GLN 30 HA GLN 30 13.858 14.025 -4.781 489 1HB GLN 30 HB2 GLN 30 11.601 13.026 -5.448 490 2HB GLN 30 HB1 GLN 30 10.874 14.240 -4.405 491 1HG GLN 30 HG2 GLN 30 11.984 15.995 -5.750 492 2HG GLN 30 HG1 GLN 30 12.577 14.738 -6.835 493 1HE2 GLN 30 HE21 GLN 30 10.575 17.066 -6.981 494 2HE2 GLN 30 HE22 GLN 30 9.207 16.362 -7.768 495 H HIS 31 HN HIS 31 12.067 14.238 -1.784 496 HA HIS 31 HA HIS 31 13.176 16.924 -1.399 497 1HB HIS 31 HB2 HIS 31 11.077 17.778 -0.483 498 2HB HIS 31 HB1 HIS 31 10.869 17.270 -2.154 499 HD1 HIS 31 HD1 HIS 31 9.656 14.896 -2.471 500 HD2 HIS 31 HD2 HIS 31 9.356 16.618 1.294 501 HE1 HIS 31 HE1 HIS 31 7.739 13.728 -1.349 502 HE2 HIS 31 HE2 HIS 31 7.718 14.647 0.995 503 HA PRO 32 HA PRO 32 13.708 14.192 2.313 504 1HB PRO 32 HB2 PRO 32 16.382 14.352 2.500 505 2HB PRO 32 HB1 PRO 32 15.594 13.218 1.396 506 1HG PRO 32 HG2 PRO 32 16.832 15.880 0.814 507 2HG PRO 32 HG1 PRO 32 16.942 14.369 -0.108 508 1HD PRO 32 HD2 PRO 32 15.249 16.429 -0.746 509 2HD PRO 32 HD1 PRO 32 14.945 14.734 -1.168 510 H ARG 33 HN ARG 33 15.486 14.848 4.202 511 HA ARG 33 HA ARG 33 15.902 16.288 5.912 512 1HB ARG 33 HB2 ARG 33 15.678 18.522 3.902 513 2HB ARG 33 HB1 ARG 33 16.618 18.495 5.387 514 1HG ARG 33 HG2 ARG 33 18.376 17.634 4.349 515 2HG ARG 33 HG1 ARG 33 17.405 16.346 3.634 516 1HD ARG 33 HD2 ARG 33 17.864 17.348 1.684 517 2HD ARG 33 HD1 ARG 33 16.632 18.512 2.166 518 HE ARG 33 HE ARG 33 18.278 20.075 2.495 519 1HH1 ARG 33 HH11 ARG 33 19.743 16.923 2.193 520 2HH1 ARG 33 HH12 ARG 33 21.358 17.543 2.112 521 1HH2 ARG 33 HH21 ARG 33 20.400 20.893 2.388 522 2HH2 ARG 33 HH22 ARG 33 21.731 19.797 2.224 Start of MODEL 35 1 H CYS 1 HT1 CYS 1 12.133 22.180 4.028 2 HA CYS 1 HA CYS 1 12.162 19.350 4.796 3 1HB CYS 1 HB2 CYS 1 10.698 19.961 6.659 4 2HB CYS 1 HB1 CYS 1 12.258 20.756 6.819 5 HG CYS 1 HG CYS 1 9.956 22.426 5.622 6 H GLY 2 HN GLY 2 9.774 18.676 4.966 7 1HA GLY 2 HA2 GLY 2 8.566 19.056 2.444 8 2HA GLY 2 HA1 GLY 2 7.822 18.268 3.829 9 H GLY 3 HN GLY 3 5.871 19.142 4.115 10 1HA GLY 3 HA2 GLY 3 4.190 20.709 4.248 11 2HA GLY 3 HA1 GLY 3 5.391 21.642 5.129 12 H ASP 4 HN ASP 4 5.598 20.719 1.742 13 HA ASP 4 HA ASP 4 5.288 23.553 1.017 14 1HB ASP 4 HB2 ASP 4 7.628 22.939 0.861 15 2HB ASP 4 HB1 ASP 4 7.228 21.518 -0.101 16 H ASN 5 HN ASN 5 5.804 20.772 -1.067 17 HA ASN 5 HA ASN 5 3.034 20.793 -1.961 18 1HB ASN 5 HB2 ASN 5 4.602 22.405 -3.343 19 2HB ASN 5 HB1 ASN 5 5.152 20.904 -4.079 20 1HD2 ASN 5 HD21 ASN 5 1.997 22.148 -3.028 21 2HD2 ASN 5 HD22 ASN 5 1.195 21.867 -4.532 22 H ILE 6 HN ILE 6 6.286 19.467 -2.345 23 HA ILE 6 HA ILE 6 5.517 16.990 -3.471 24 HB ILE 6 HB ILE 6 7.934 17.248 -1.714 25 1HG1 ILE 6 HG12 ILE 6 7.534 18.510 -4.429 26 2HG1 ILE 6 HG11 ILE 6 8.096 19.278 -2.948 27 1HG2 ILE 6 HG21 ILE 6 7.492 15.853 -4.343 28 2HG2 ILE 6 HG22 ILE 6 7.352 15.104 -2.754 29 3HG2 ILE 6 HG23 ILE 6 8.909 15.726 -3.301 30 1HD1 ILE 6 HD11 ILE 6 9.581 17.383 -4.735 31 2HD1 ILE 6 HD12 ILE 6 10.125 17.778 -3.104 32 3HD1 ILE 6 HD13 ILE 6 9.984 19.049 -4.319 33 H GLU 7 HN GLU 7 6.360 17.962 -0.182 34 HA GLU 7 HA GLU 7 6.004 15.562 1.140 35 1HB GLU 7 HB2 GLU 7 6.923 17.579 2.197 36 2HB GLU 7 HB1 GLU 7 5.333 18.333 2.155 37 1HG GLU 7 HG2 GLU 7 5.510 15.708 3.498 38 2HG GLU 7 HG1 GLU 7 6.311 17.063 4.295 39 H GLN 8 HN GLN 8 3.592 17.851 0.036 40 HA GLN 8 HA GLN 8 1.417 16.617 1.437 41 1HB GLN 8 HB2 GLN 8 1.443 19.013 0.713 42 2HB GLN 8 HB1 GLN 8 1.303 18.464 -0.951 43 1HG GLN 8 HG2 GLN 8 -0.893 18.448 -0.741 44 2HG GLN 8 HG1 GLN 8 -0.753 17.195 0.491 45 1HE2 GLN 8 HE21 GLN 8 -2.772 19.144 0.422 46 2HE2 GLN 8 HE22 GLN 8 -2.603 20.149 1.817 47 H LYS 9 HN LYS 9 2.840 16.375 -1.759 48 HA LYS 9 HA LYS 9 0.824 14.880 -3.011 49 1HB LYS 9 HB2 LYS 9 3.747 15.279 -3.476 50 2HB LYS 9 HB1 LYS 9 2.925 13.993 -4.349 51 1HG LYS 9 HG2 LYS 9 1.535 15.489 -5.481 52 2HG LYS 9 HG1 LYS 9 1.879 16.802 -4.352 53 1HD LYS 9 HD2 LYS 9 3.157 17.388 -6.193 54 2HD LYS 9 HD1 LYS 9 4.324 16.531 -5.185 55 1HE LYS 9 HE2 LYS 9 4.747 15.392 -7.081 56 2HE LYS 9 HE1 LYS 9 3.312 14.478 -6.619 57 1HZ LYS 9 HZ1 LYS 9 2.844 15.044 -8.778 58 2HZ LYS 9 HZ2 LYS 9 3.606 16.550 -8.682 59 3HZ LYS 9 HZ3 LYS 9 2.097 16.320 -7.955 60 H ILE 10 HN ILE 10 3.603 13.893 -1.067 61 HA ILE 10 HA ILE 10 3.212 11.103 -1.460 62 HB ILE 10 HB ILE 10 4.643 10.858 0.595 63 1HG1 ILE 10 HG12 ILE 10 4.981 13.847 0.307 64 2HG1 ILE 10 HG11 ILE 10 4.045 13.070 1.582 65 1HG2 ILE 10 HG21 ILE 10 6.689 11.623 -0.563 66 2HG2 ILE 10 HG22 ILE 10 5.673 12.484 -1.719 67 3HG2 ILE 10 HG23 ILE 10 5.590 10.725 -1.612 68 1HD1 ILE 10 HD11 ILE 10 6.047 11.961 2.392 69 2HD1 ILE 10 HD12 ILE 10 6.262 13.711 2.349 70 3HD1 ILE 10 HD13 ILE 10 6.991 12.702 1.099 71 H ASP 11 HN ASP 11 2.239 13.371 1.094 72 HA ASP 11 HA ASP 11 1.211 11.626 2.959 73 1HB ASP 11 HB2 ASP 11 0.535 14.405 2.130 74 2HB ASP 11 HB1 ASP 11 -0.626 13.567 3.153 75 H ASP 12 HN ASP 12 -0.111 12.619 -0.109 76 HA ASP 12 HA ASP 12 -2.703 11.494 0.236 77 1HB ASP 12 HB2 ASP 12 -1.124 12.163 -2.259 78 2HB ASP 12 HB1 ASP 12 -2.802 11.628 -2.274 79 H ILE 13 HN ILE 13 0.275 10.375 -1.314 80 HA ILE 13 HA ILE 13 -0.645 7.868 -2.157 81 HB ILE 13 HB ILE 13 2.161 8.508 -1.243 82 1HG1 ILE 13 HG12 ILE 13 0.821 8.987 -3.910 83 2HG1 ILE 13 HG11 ILE 13 1.493 10.201 -2.827 84 1HG2 ILE 13 HG21 ILE 13 1.746 6.726 -3.526 85 2HG2 ILE 13 HG22 ILE 13 1.104 6.110 -2.004 86 3HG2 ILE 13 HG23 ILE 13 2.806 6.553 -2.128 87 1HD1 ILE 13 HD11 ILE 13 2.777 8.682 -4.897 88 2HD1 ILE 13 HD12 ILE 13 3.599 8.461 -3.353 89 3HD1 ILE 13 HD13 ILE 13 3.361 10.083 -4.002 90 H ASP 14 HN ASP 14 0.995 8.838 0.850 91 HA ASP 14 HA ASP 14 1.240 6.408 2.105 92 1HB ASP 14 HB2 ASP 14 1.733 8.939 2.858 93 2HB ASP 14 HB1 ASP 14 0.272 8.648 3.797 94 H HIS 15 HN HIS 15 -1.650 8.326 1.640 95 HA HIS 15 HA HIS 15 -3.269 6.811 3.455 96 1HB HIS 15 HB2 HIS 15 -3.627 9.228 2.525 97 2HB HIS 15 HB1 HIS 15 -4.382 8.400 1.168 98 HD1 HIS 15 HD1 HIS 15 -5.173 6.370 3.939 99 HD2 HIS 15 HD2 HIS 15 -6.555 10.043 2.574 100 HE1 HIS 15 HE1 HIS 15 -7.422 6.684 5.018 101 HE2 HIS 15 HE2 HIS 15 -8.198 8.954 4.249 102 H GLU 16 HN GLU 16 -2.340 6.583 0.119 103 HA GLU 16 HA GLU 16 -4.380 4.637 -0.521 104 1HB GLU 16 HB2 GLU 16 -1.992 5.338 -2.215 105 2HB GLU 16 HB1 GLU 16 -3.547 4.700 -2.738 106 1HG GLU 16 HG2 GLU 16 -4.624 6.756 -2.400 107 2HG GLU 16 HG1 GLU 16 -3.287 7.392 -1.444 108 H ILE 17 HN ILE 17 -0.954 4.705 0.222 109 HA ILE 17 HA ILE 17 -0.314 2.058 -0.478 110 HB ILE 17 HB ILE 17 0.959 3.641 1.754 111 1HG1 ILE 17 HG12 ILE 17 2.023 3.657 -1.036 112 2HG1 ILE 17 HG11 ILE 17 0.687 4.731 -0.643 113 1HG2 ILE 17 HG21 ILE 17 2.101 1.721 1.930 114 2HG2 ILE 17 HG22 ILE 17 2.935 2.274 0.476 115 3HG2 ILE 17 HG23 ILE 17 1.581 1.152 0.344 116 1HD1 ILE 17 HD11 ILE 17 2.061 6.166 0.324 117 2HD1 ILE 17 HD12 ILE 17 3.406 5.183 -0.253 118 3HD1 ILE 17 HD13 ILE 17 2.739 4.908 1.356 119 H ALA 18 HN ALA 18 -1.765 3.477 2.367 120 HA ALA 18 HA ALA 18 -1.546 1.084 3.960 121 1HB ALA 18 HB1 ALA 18 -1.586 2.801 5.423 122 2HB ALA 18 HB2 ALA 18 -3.332 2.582 5.307 123 3HB ALA 18 HB3 ALA 18 -2.535 3.831 4.351 124 H ASP 19 HN ASP 19 -4.044 2.710 2.069 125 HA ASP 19 HA ASP 19 -6.278 1.277 2.857 126 1HB ASP 19 HB2 ASP 19 -5.490 2.597 0.282 127 2HB ASP 19 HB1 ASP 19 -6.983 1.665 0.365 128 H LEU 20 HN LEU 20 -3.857 0.451 0.408 129 HA LEU 20 HA LEU 20 -5.125 -1.949 -0.425 130 1HB LEU 20 HB2 LEU 20 -2.183 -1.380 -0.631 131 2HB LEU 20 HB1 LEU 20 -3.163 -2.392 -1.674 132 HG LEU 20 HG LEU 20 -3.056 0.609 -1.560 133 1HD1 LEU 20 HD11 LEU 20 -2.542 -1.484 -3.650 134 2HD1 LEU 20 HD12 LEU 20 -1.433 -0.274 -3.010 135 3HD1 LEU 20 HD13 LEU 20 -2.768 0.219 -4.050 136 1HD2 LEU 20 HD21 LEU 20 -5.428 -0.138 -1.594 137 2HD2 LEU 20 HD22 LEU 20 -5.084 -1.029 -3.076 138 3HD2 LEU 20 HD23 LEU 20 -4.936 0.729 -3.049 139 H GLN 21 HN GLN 21 -2.339 -1.333 1.706 140 HA GLN 21 HA GLN 21 -1.721 -3.929 2.395 141 1HB GLN 21 HB2 GLN 21 -0.557 -1.733 3.057 142 2HB GLN 21 HB1 GLN 21 -1.671 -1.700 4.416 143 1HG GLN 21 HG2 GLN 21 -0.556 -4.279 4.361 144 2HG GLN 21 HG1 GLN 21 0.773 -3.145 4.114 145 1HE2 GLN 21 HE21 GLN 21 0.142 -1.032 5.608 146 2HE2 GLN 21 HE22 GLN 21 0.013 -1.459 7.276 147 H ALA 22 HN ALA 22 -4.282 -1.875 3.647 148 HA ALA 22 HA ALA 22 -5.035 -3.594 5.787 149 1HB ALA 22 HB1 ALA 22 -5.886 -1.538 6.206 150 2HB ALA 22 HB2 ALA 22 -7.284 -2.199 5.358 151 3HB ALA 22 HB3 ALA 22 -6.135 -1.172 4.499 152 H LYS 23 HN LYS 23 -5.873 -3.379 2.401 153 HA LYS 23 HA LYS 23 -8.182 -5.017 2.482 154 1HB LYS 23 HB2 LYS 23 -6.534 -3.740 0.465 155 2HB LYS 23 HB1 LYS 23 -7.045 -5.342 -0.047 156 1HG LYS 23 HG2 LYS 23 -8.684 -3.861 -0.841 157 2HG LYS 23 HG1 LYS 23 -9.396 -4.645 0.570 158 1HD LYS 23 HD2 LYS 23 -9.889 -2.561 1.238 159 2HD LYS 23 HD1 LYS 23 -8.185 -2.465 1.686 160 1HE LYS 23 HE2 LYS 23 -7.681 -1.075 -0.019 161 2HE LYS 23 HE1 LYS 23 -8.789 -1.873 -1.134 162 1HZ LYS 23 HZ1 LYS 23 -9.736 -0.134 1.069 163 2HZ LYS 23 HZ2 LYS 23 -10.601 -0.670 -0.283 164 3HZ LYS 23 HZ3 LYS 23 -9.365 0.471 -0.468 165 H ARG 24 HN ARG 24 -4.752 -5.693 2.150 166 HA ARG 24 HA ARG 24 -5.032 -8.419 1.401 167 1HB ARG 24 HB2 ARG 24 -2.862 -6.596 2.102 168 2HB ARG 24 HB1 ARG 24 -2.579 -8.235 2.671 169 1HG ARG 24 HG2 ARG 24 -3.274 -8.877 0.231 170 2HG ARG 24 HG1 ARG 24 -2.822 -7.206 -0.109 171 1HD ARG 24 HD2 ARG 24 -0.687 -7.805 -0.160 172 2HD ARG 24 HD1 ARG 24 -0.798 -8.312 1.524 173 HE ARG 24 HE ARG 24 -1.708 -10.221 -0.469 174 1HH1 ARG 24 HH11 ARG 24 0.881 -9.172 1.630 175 2HH1 ARG 24 HH12 ARG 24 1.689 -10.702 1.599 176 1HH2 ARG 24 HH21 ARG 24 -0.641 -12.228 -0.510 177 2HH2 ARG 24 HH22 ARG 24 0.828 -12.435 0.384 178 H THR 25 HN THR 25 -4.454 -6.817 4.521 179 HA THR 25 HA THR 25 -4.237 -9.159 6.064 180 HB THR 25 HB THR 25 -5.433 -6.773 7.334 181 HG1 THR 25 HG1 THR 25 -4.104 -5.446 6.431 182 1HG2 THR 25 HG21 THR 25 -4.621 -8.144 8.954 183 2HG2 THR 25 HG22 THR 25 -3.205 -7.129 8.678 184 3HG2 THR 25 HG23 THR 25 -3.296 -8.733 7.950 185 H ARG 26 HN ARG 26 -7.015 -6.945 5.709 186 HA ARG 26 HA ARG 26 -8.867 -8.329 7.198 187 1HB ARG 26 HB2 ARG 26 -10.589 -7.328 5.636 188 2HB ARG 26 HB1 ARG 26 -9.466 -6.188 6.362 189 1HG ARG 26 HG2 ARG 26 -9.259 -5.417 4.274 190 2HG ARG 26 HG1 ARG 26 -8.165 -6.785 4.068 191 1HD ARG 26 HD2 ARG 26 -9.644 -6.883 2.241 192 2HD ARG 26 HD1 ARG 26 -10.200 -8.122 3.361 193 HE ARG 26 HE ARG 26 -11.520 -5.575 2.778 194 1HH1 ARG 26 HH11 ARG 26 -11.533 -8.634 4.474 195 2HH1 ARG 26 HH12 ARG 26 -13.214 -8.541 4.873 196 1HH2 ARG 26 HH21 ARG 26 -13.726 -5.461 3.308 197 2HH2 ARG 26 HH22 ARG 26 -14.457 -6.745 4.213 198 H LEU 27 HN LEU 27 -7.971 -8.823 3.817 199 HA LEU 27 HA LEU 27 -9.849 -10.845 3.252 200 1HB LEU 27 HB2 LEU 27 -7.570 -9.644 1.958 201 2HB LEU 27 HB1 LEU 27 -7.529 -11.385 1.751 202 HG LEU 27 HG LEU 27 -10.010 -11.105 1.007 203 1HD1 LEU 27 HD11 LEU 27 -10.238 -8.889 -0.228 204 2HD1 LEU 27 HD12 LEU 27 -8.937 -8.309 0.810 205 3HD1 LEU 27 HD13 LEU 27 -10.453 -8.863 1.522 206 1HD2 LEU 27 HD21 LEU 27 -7.916 -11.702 -0.351 207 2HD2 LEU 27 HD22 LEU 27 -7.954 -10.023 -0.887 208 3HD2 LEU 27 HD23 LEU 27 -9.320 -11.087 -1.221 209 H VAL 28 HN VAL 28 -6.608 -10.906 4.646 210 HA VAL 28 HA VAL 28 -6.202 -13.684 4.620 211 HB VAL 28 HB VAL 28 -5.228 -11.723 6.694 212 1HG1 VAL 28 HG11 VAL 28 -4.580 -13.653 7.668 213 2HG1 VAL 28 HG12 VAL 28 -3.278 -13.570 6.484 214 3HG1 VAL 28 HG13 VAL 28 -4.694 -14.572 6.168 215 1HG2 VAL 28 HG21 VAL 28 -4.654 -11.844 3.930 216 2HG2 VAL 28 HG22 VAL 28 -3.232 -12.445 4.783 217 3HG2 VAL 28 HG23 VAL 28 -3.876 -10.849 5.160 218 H GLN 29 HN GLN 29 -7.649 -11.564 7.061 219 HA GLN 29 HA GLN 29 -8.163 -13.421 9.050 220 1HB GLN 29 HB2 GLN 29 -9.243 -10.806 8.268 221 2HB GLN 29 HB1 GLN 29 -10.400 -11.814 9.126 222 1HG GLN 29 HG2 GLN 29 -9.117 -10.311 10.600 223 2HG GLN 29 HG1 GLN 29 -8.926 -12.017 11.002 224 1HE2 GLN 29 HE21 GLN 29 -7.406 -9.695 8.782 225 2HE2 GLN 29 HE22 GLN 29 -5.780 -10.094 9.208 226 H GLN 30 HN GLN 30 -9.749 -12.867 6.002 227 HA GLN 30 HA GLN 30 -12.065 -14.442 6.521 228 1HB GLN 30 HB2 GLN 30 -11.642 -12.664 4.666 229 2HB GLN 30 HB1 GLN 30 -10.932 -14.003 3.775 230 1HG GLN 30 HG2 GLN 30 -13.016 -15.224 3.882 231 2HG GLN 30 HG1 GLN 30 -13.736 -13.951 4.864 232 1HE2 GLN 30 HE21 GLN 30 -14.309 -12.005 3.907 233 2HE2 GLN 30 HE22 GLN 30 -14.434 -11.821 2.193 234 H HIS 31 HN HIS 31 -8.816 -15.112 5.400 235 HA HIS 31 HA HIS 31 -9.460 -17.972 5.491 236 1HB HIS 31 HB2 HIS 31 -8.165 -18.438 3.480 237 2HB HIS 31 HB1 HIS 31 -9.485 -17.333 3.117 238 HD1 HIS 31 HD1 HIS 31 -8.573 -14.658 3.337 239 HD2 HIS 31 HD2 HIS 31 -5.881 -17.638 2.289 240 HE1 HIS 31 HE1 HIS 31 -6.685 -13.482 2.179 241 HE2 HIS 31 HE2 HIS 31 -4.972 -15.279 1.764 242 HA PRO 32 HA PRO 32 -5.597 -16.907 7.848 243 1HB PRO 32 HB2 PRO 32 -6.322 -18.031 10.189 244 2HB PRO 32 HB1 PRO 32 -6.807 -16.390 9.745 245 1HG PRO 32 HG2 PRO 32 -8.372 -18.938 9.585 246 2HG PRO 32 HG1 PRO 32 -8.893 -17.337 10.144 247 1HD PRO 32 HD2 PRO 32 -9.443 -18.308 7.656 248 2HD PRO 32 HD1 PRO 32 -9.263 -16.577 8.008 249 H ARG 33 HN ARG 33 -3.966 -18.335 8.615 250 HA ARG 33 HA ARG 33 -2.644 -20.164 8.225 251 1HB ARG 33 HB2 ARG 33 -3.263 -22.056 9.538 252 2HB ARG 33 HB1 ARG 33 -3.850 -20.625 10.371 253 1HG ARG 33 HG2 ARG 33 -5.801 -21.835 8.553 254 2HG ARG 33 HG1 ARG 33 -5.305 -22.870 9.891 255 1HD ARG 33 HD2 ARG 33 -5.743 -20.849 11.388 256 2HD ARG 33 HD1 ARG 33 -6.580 -20.152 10.001 257 HE ARG 33 HE ARG 33 -7.743 -22.570 10.238 258 1HH1 ARG 33 HH11 ARG 33 -7.129 -20.018 12.539 259 2HH1 ARG 33 HH12 ARG 33 -8.512 -20.390 13.511 260 1HH2 ARG 33 HH21 ARG 33 -9.565 -23.059 11.514 261 2HH2 ARG 33 HH22 ARG 33 -9.895 -22.117 12.930 262 H CYS 1 HN CYS 1 -17.974 -25.446 -0.892 263 HA CYS 1 HA CYS 1 -15.921 -24.656 -1.622 264 1HB CYS 1 HB2 CYS 1 -18.044 -23.531 -2.876 265 2HB CYS 1 HB1 CYS 1 -17.200 -22.085 -2.329 266 HG CYS 1 HG CYS 1 -15.526 -22.412 -4.085 267 H GLY 2 HN GLY 2 -14.436 -22.641 -1.718 268 1HA GLY 2 HA2 GLY 2 -13.931 -20.524 -0.527 269 2HA GLY 2 HA1 GLY 2 -14.518 -21.320 0.925 270 H GLY 3 HN GLY 3 -12.049 -21.656 -1.617 271 1HA GLY 3 HA2 GLY 3 -10.320 -23.010 0.342 272 2HA GLY 3 HA1 GLY 3 -10.117 -23.058 -1.404 273 H ASP 4 HN ASP 4 -8.316 -22.058 -1.981 274 HA ASP 4 HA ASP 4 -7.308 -19.839 -0.377 275 1HB ASP 4 HB2 ASP 4 -6.064 -21.323 -2.694 276 2HB ASP 4 HB1 ASP 4 -5.268 -20.076 -1.739 277 H ASN 5 HN ASN 5 -9.577 -19.853 -2.523 278 HA ASN 5 HA ASN 5 -8.875 -18.322 -4.715 279 1HB ASN 5 HB2 ASN 5 -11.203 -19.339 -3.851 280 2HB ASN 5 HB1 ASN 5 -11.449 -17.661 -3.377 281 1HD2 ASN 5 HD21 ASN 5 -10.449 -16.181 -5.289 282 2HD2 ASN 5 HD22 ASN 5 -11.166 -16.520 -6.822 283 H ILE 6 HN ILE 6 -9.268 -17.437 -1.392 284 HA ILE 6 HA ILE 6 -9.284 -14.596 -1.849 285 HB ILE 6 HB ILE 6 -8.712 -16.039 0.735 286 1HG1 ILE 6 HG12 ILE 6 -11.340 -15.236 0.870 287 2HG1 ILE 6 HG11 ILE 6 -11.205 -15.783 -0.798 288 1HG2 ILE 6 HG21 ILE 6 -8.199 -13.622 0.618 289 2HG2 ILE 6 HG22 ILE 6 -9.457 -14.015 1.791 290 3HG2 ILE 6 HG23 ILE 6 -9.891 -13.313 0.233 291 1HD1 ILE 6 HD11 ILE 6 -11.522 -17.325 1.546 292 2HD1 ILE 6 HD12 ILE 6 -9.941 -17.702 0.862 293 3HD1 ILE 6 HD13 ILE 6 -11.393 -17.875 -0.124 294 H GLU 7 HN GLU 7 -6.977 -17.026 -0.732 295 HA GLU 7 HA GLU 7 -4.825 -15.372 -0.129 296 1HB GLU 7 HB2 GLU 7 -5.218 -18.012 0.038 297 2HB GLU 7 HB1 GLU 7 -4.252 -17.983 -1.431 298 1HG GLU 7 HG2 GLU 7 -2.418 -16.993 -0.317 299 2HG GLU 7 HG1 GLU 7 -3.387 -16.644 1.113 300 H GLN 8 HN GLN 8 -6.099 -16.377 -3.191 301 HA GLN 8 HA GLN 8 -3.765 -15.603 -4.695 302 1HB GLN 8 HB2 GLN 8 -5.751 -17.318 -5.246 303 2HB GLN 8 HB1 GLN 8 -6.414 -15.884 -6.018 304 1HG GLN 8 HG2 GLN 8 -5.269 -16.723 -7.776 305 2HG GLN 8 HG1 GLN 8 -3.976 -15.768 -7.050 306 1HE2 GLN 8 HE21 GLN 8 -2.251 -16.953 -7.648 307 2HE2 GLN 8 HE22 GLN 8 -1.976 -18.590 -7.169 308 H LYS 9 HN LYS 9 -6.956 -14.295 -3.983 309 HA LYS 9 HA LYS 9 -6.822 -12.024 -5.627 310 1HB LYS 9 HB2 LYS 9 -8.671 -13.127 -3.860 311 2HB LYS 9 HB1 LYS 9 -8.286 -11.563 -3.156 312 1HG LYS 9 HG2 LYS 9 -8.862 -10.467 -5.256 313 2HG LYS 9 HG1 LYS 9 -9.229 -12.035 -5.977 314 1HD LYS 9 HD2 LYS 9 -10.601 -11.334 -3.440 315 2HD LYS 9 HD1 LYS 9 -11.109 -10.487 -4.902 316 1HE LYS 9 HE2 LYS 9 -10.896 -13.485 -4.728 317 2HE LYS 9 HE1 LYS 9 -12.375 -12.603 -4.344 318 1HZ LYS 9 HZ1 LYS 9 -12.194 -13.478 -6.673 319 2HZ LYS 9 HZ2 LYS 9 -10.978 -12.335 -6.944 320 3HZ LYS 9 HZ3 LYS 9 -12.542 -11.827 -6.549 321 H ILE 10 HN ILE 10 -5.622 -12.657 -2.386 322 HA ILE 10 HA ILE 10 -4.993 -9.943 -1.786 323 HB ILE 10 HB ILE 10 -3.478 -10.927 -0.040 324 1HG1 ILE 10 HG12 ILE 10 -4.761 -13.536 -0.867 325 2HG1 ILE 10 HG11 ILE 10 -3.096 -13.091 -1.225 326 1HG2 ILE 10 HG21 ILE 10 -6.111 -10.460 -0.010 327 2HG2 ILE 10 HG22 ILE 10 -5.219 -11.041 1.396 328 3HG2 ILE 10 HG23 ILE 10 -6.116 -12.178 0.389 329 1HD1 ILE 10 HD11 ILE 10 -2.621 -12.961 1.165 330 2HD1 ILE 10 HD12 ILE 10 -3.207 -14.556 0.695 331 3HD1 ILE 10 HD13 ILE 10 -4.286 -13.427 1.514 332 H ASP 11 HN ASP 11 -3.100 -12.676 -3.049 333 HA ASP 11 HA ASP 11 -0.578 -11.559 -3.057 334 1HB ASP 11 HB2 ASP 11 -1.969 -13.532 -4.816 335 2HB ASP 11 HB1 ASP 11 -0.415 -12.897 -5.352 336 H ASP 12 HN ASP 12 -3.290 -10.986 -5.173 337 HA ASP 12 HA ASP 12 -1.922 -9.446 -7.128 338 1HB ASP 12 HB2 ASP 12 -4.659 -10.196 -6.543 339 2HB ASP 12 HB1 ASP 12 -4.566 -8.496 -6.994 340 H ILE 13 HN ILE 13 -3.732 -8.647 -4.203 341 HA ILE 13 HA ILE 13 -3.482 -5.854 -4.355 342 HB ILE 13 HB ILE 13 -3.614 -7.505 -1.829 343 1HG1 ILE 13 HG12 ILE 13 -5.840 -6.489 -3.607 344 2HG1 ILE 13 HG11 ILE 13 -5.417 -8.173 -3.314 345 1HG2 ILE 13 HG21 ILE 13 -3.849 -5.595 -0.705 346 2HG2 ILE 13 HG22 ILE 13 -5.021 -4.968 -1.865 347 3HG2 ILE 13 HG23 ILE 13 -3.293 -4.778 -2.166 348 1HD1 ILE 13 HD11 ILE 13 -7.295 -6.645 -1.953 349 2HD1 ILE 13 HD12 ILE 13 -5.938 -6.804 -0.838 350 3HD1 ILE 13 HD13 ILE 13 -6.699 -8.246 -1.512 351 H ASP 14 HN ASP 14 -1.478 -8.315 -2.748 352 HA ASP 14 HA ASP 14 0.367 -6.745 -1.463 353 1HB ASP 14 HB2 ASP 14 0.143 -9.390 -1.844 354 2HB ASP 14 HB1 ASP 14 1.459 -9.063 -2.968 355 H HIS 15 HN HIS 15 0.088 -7.383 -4.892 356 HA HIS 15 HA HIS 15 2.637 -6.246 -5.566 357 1HB HIS 15 HB2 HIS 15 1.127 -7.936 -6.904 358 2HB HIS 15 HB1 HIS 15 0.386 -6.467 -7.530 359 HD1 HIS 15 HD1 HIS 15 3.724 -5.500 -7.081 360 HD2 HIS 15 HD2 HIS 15 1.807 -7.945 -9.841 361 HE1 HIS 15 HE1 HIS 15 5.265 -5.611 -9.065 362 HE2 HIS 15 HE2 HIS 15 4.046 -7.028 -10.755 363 H GLU 16 HN GLU 16 -0.624 -5.102 -5.158 364 HA GLU 16 HA GLU 16 -0.096 -2.554 -6.413 365 1HB GLU 16 HB2 GLU 16 -2.486 -3.213 -4.709 366 2HB GLU 16 HB1 GLU 16 -2.365 -2.036 -6.009 367 1HG GLU 16 HG2 GLU 16 -2.407 -3.690 -7.664 368 2HG GLU 16 HG1 GLU 16 -2.050 -4.973 -6.509 369 H ILE 17 HN ILE 17 -0.225 -3.895 -3.192 370 HA ILE 17 HA ILE 17 -0.286 -1.482 -1.733 371 HB ILE 17 HB ILE 17 0.989 -4.073 -0.850 372 1HG1 ILE 17 HG12 ILE 17 -1.840 -3.350 -0.215 373 2HG1 ILE 17 HG11 ILE 17 -1.481 -4.071 -1.779 374 1HG2 ILE 17 HG21 ILE 17 1.478 -2.777 0.914 375 2HG2 ILE 17 HG22 ILE 17 -0.226 -2.978 1.323 376 3HG2 ILE 17 HG23 ILE 17 0.309 -1.539 0.456 377 1HD1 ILE 17 HD11 ILE 17 -1.914 -5.371 0.656 378 2HD1 ILE 17 HD12 ILE 17 -0.196 -5.560 0.301 379 3HD1 ILE 17 HD13 ILE 17 -1.402 -6.083 -0.873 380 H ALA 18 HN ALA 18 2.296 -3.388 -3.139 381 HA ALA 18 HA ALA 18 4.418 -1.911 -1.889 382 1HB ALA 18 HB1 ALA 18 5.274 -3.936 -2.376 383 2HB ALA 18 HB2 ALA 18 5.636 -3.191 -3.932 384 3HB ALA 18 HB3 ALA 18 4.190 -4.182 -3.746 385 H ASP 19 HN ASP 19 2.752 -1.843 -4.993 386 HA ASP 19 HA ASP 19 4.479 -0.222 -6.441 387 1HB ASP 19 HB2 ASP 19 2.087 -1.359 -6.966 388 2HB ASP 19 HB1 ASP 19 1.582 0.316 -6.767 389 H LEU 20 HN LEU 20 1.797 0.732 -4.314 390 HA LEU 20 HA LEU 20 2.097 3.508 -4.642 391 1HB LEU 20 HB2 LEU 20 1.122 2.233 -2.107 392 2HB LEU 20 HB1 LEU 20 0.638 3.763 -2.812 393 HG LEU 20 HG LEU 20 -0.122 0.992 -3.705 394 1HD1 LEU 20 HD11 LEU 20 -1.547 1.747 -2.002 395 2HD1 LEU 20 HD12 LEU 20 -2.414 2.075 -3.502 396 3HD1 LEU 20 HD13 LEU 20 -1.596 3.386 -2.651 397 1HD2 LEU 20 HD21 LEU 20 -0.740 3.564 -5.151 398 2HD2 LEU 20 HD22 LEU 20 -1.202 1.930 -5.627 399 3HD2 LEU 20 HD23 LEU 20 0.495 2.411 -5.660 400 H GLN 21 HN GLN 21 3.278 1.357 -2.058 401 HA GLN 21 HA GLN 21 4.575 3.180 -0.472 402 1HB GLN 21 HB2 GLN 21 4.328 0.622 -0.209 403 2HB GLN 21 HB1 GLN 21 5.837 0.526 -1.107 404 1HG GLN 21 HG2 GLN 21 6.970 1.821 0.584 405 2HG GLN 21 HG1 GLN 21 5.457 2.050 1.461 406 1HE2 GLN 21 HE21 GLN 21 7.622 -0.477 0.256 407 2HE2 GLN 21 HE22 GLN 21 7.354 -1.574 1.562 408 H ALA 22 HN ALA 22 5.560 1.950 -3.584 409 HA ALA 22 HA ALA 22 8.253 2.904 -3.448 410 1HB ALA 22 HB1 ALA 22 6.597 2.166 -5.861 411 2HB ALA 22 HB2 ALA 22 7.605 1.061 -4.928 412 3HB ALA 22 HB3 ALA 22 8.346 2.384 -5.827 413 H LYS 23 HN LYS 23 5.184 4.201 -4.525 414 HA LYS 23 HA LYS 23 6.196 6.423 -5.951 415 1HB LYS 23 HB2 LYS 23 3.547 6.319 -4.515 416 2HB LYS 23 HB1 LYS 23 3.965 7.271 -5.932 417 1HG LYS 23 HG2 LYS 23 3.643 4.284 -5.784 418 2HG LYS 23 HG1 LYS 23 2.590 5.435 -6.607 419 1HD LYS 23 HD2 LYS 23 4.537 6.051 -8.055 420 2HD LYS 23 HD1 LYS 23 5.432 4.721 -7.316 421 1HE LYS 23 HE2 LYS 23 4.609 3.584 -9.091 422 2HE LYS 23 HE1 LYS 23 3.213 3.407 -8.028 423 1HZ LYS 23 HZ1 LYS 23 2.644 5.723 -9.193 424 2HZ LYS 23 HZ2 LYS 23 2.144 4.231 -9.813 425 3HZ LYS 23 HZ3 LYS 23 3.516 4.992 -10.445 426 H ARG 24 HN ARG 24 5.488 5.870 -2.558 427 HA ARG 24 HA ARG 24 5.676 8.614 -1.785 428 1HB ARG 24 HB2 ARG 24 5.280 6.033 -0.468 429 2HB ARG 24 HB1 ARG 24 6.240 7.153 0.488 430 1HG ARG 24 HG2 ARG 24 4.340 8.839 -0.084 431 2HG ARG 24 HG1 ARG 24 3.411 7.377 -0.413 432 1HD ARG 24 HD2 ARG 24 3.031 7.148 1.758 433 2HD ARG 24 HD1 ARG 24 4.763 6.971 2.031 434 HE ARG 24 HE ARG 24 3.747 9.686 1.836 435 1HH1 ARG 24 HH11 ARG 24 4.724 7.055 3.917 436 2HH1 ARG 24 HH12 ARG 24 4.981 8.075 5.290 437 1HH2 ARG 24 HH21 ARG 24 4.082 11.023 3.644 438 2HH2 ARG 24 HH22 ARG 24 4.615 10.327 5.138 439 H THR 25 HN THR 25 7.912 5.858 -1.624 440 HA THR 25 HA THR 25 10.027 7.141 -0.338 441 HB THR 25 HB THR 25 10.718 5.181 -2.438 442 HG1 THR 25 HG1 THR 25 9.682 3.507 -1.439 443 1HG2 THR 25 HG21 THR 25 11.686 4.033 -0.359 444 2HG2 THR 25 HG22 THR 25 11.364 5.566 0.451 445 3HG2 THR 25 HG23 THR 25 12.448 5.513 -0.940 446 H ARG 26 HN ARG 26 9.502 6.667 -3.828 447 HA ARG 26 HA ARG 26 11.749 7.955 -4.784 448 1HB ARG 26 HB2 ARG 26 10.450 8.379 -6.845 449 2HB ARG 26 HB1 ARG 26 10.260 6.733 -6.255 450 1HG ARG 26 HG2 ARG 26 8.101 7.344 -5.271 451 2HG ARG 26 HG1 ARG 26 8.289 8.983 -5.900 452 1HD ARG 26 HD2 ARG 26 8.624 7.728 -8.180 453 2HD ARG 26 HD1 ARG 26 7.755 6.435 -7.355 454 HE ARG 26 HE ARG 26 6.198 8.600 -6.914 455 1HH1 ARG 26 HH11 ARG 26 7.571 7.199 -9.800 456 2HH1 ARG 26 HH12 ARG 26 6.279 7.729 -10.824 457 1HH2 ARG 26 HH21 ARG 26 4.496 9.299 -8.259 458 2HH2 ARG 26 HH22 ARG 26 4.533 8.922 -9.949 459 H LEU 27 HN LEU 27 8.600 9.354 -3.959 460 HA LEU 27 HA LEU 27 9.242 12.005 -4.663 461 1HB LEU 27 HB2 LEU 27 7.119 10.655 -3.134 462 2HB LEU 27 HB1 LEU 27 7.424 12.315 -2.658 463 HG LEU 27 HG LEU 27 7.060 13.035 -4.994 464 1HD1 LEU 27 HD11 LEU 27 6.182 11.526 -6.637 465 2HD1 LEU 27 HD12 LEU 27 6.180 10.196 -5.479 466 3HD1 LEU 27 HD13 LEU 27 7.708 10.878 -6.035 467 1HD2 LEU 27 HD21 LEU 27 4.558 12.267 -5.019 468 2HD2 LEU 27 HD22 LEU 27 5.153 13.344 -3.755 469 3HD2 LEU 27 HD23 LEU 27 4.955 11.624 -3.425 470 H VAL 28 HN VAL 28 9.735 10.122 -1.727 471 HA VAL 28 HA VAL 28 10.461 12.254 -0.030 472 HB VAL 28 HB VAL 28 11.510 9.429 0.081 473 1HG1 VAL 28 HG11 VAL 28 11.308 10.230 2.644 474 2HG1 VAL 28 HG12 VAL 28 11.684 11.767 1.864 475 3HG1 VAL 28 HG13 VAL 28 12.775 10.394 1.680 476 1HG2 VAL 28 HG21 VAL 28 9.416 9.915 1.957 477 2HG2 VAL 28 HG22 VAL 28 9.478 8.730 0.653 478 3HG2 VAL 28 HG23 VAL 28 8.846 10.346 0.344 479 H GLN 29 HN GLN 29 12.389 10.122 -2.102 480 HA GLN 29 HA GLN 29 14.929 11.039 -1.495 481 1HB GLN 29 HB2 GLN 29 13.659 9.745 -3.834 482 2HB GLN 29 HB1 GLN 29 15.164 10.592 -4.163 483 1HG GLN 29 HG2 GLN 29 16.393 9.020 -3.177 484 2HG GLN 29 HG1 GLN 29 15.306 8.912 -1.794 485 1HE2 GLN 29 HE21 GLN 29 13.715 7.372 -1.763 486 2HE2 GLN 29 HE22 GLN 29 13.605 6.103 -2.929 487 H GLN 30 HN GLN 30 12.404 12.482 -3.413 488 HA GLN 30 HA GLN 30 14.015 14.509 -4.613 489 1HB GLN 30 HB2 GLN 30 11.652 13.615 -5.286 490 2HB GLN 30 HB1 GLN 30 11.070 14.812 -4.137 491 1HG GLN 30 HG2 GLN 30 11.188 16.339 -5.726 492 2HG GLN 30 HG1 GLN 30 12.939 16.136 -5.753 493 1HE2 GLN 30 HE21 GLN 30 13.874 15.227 -7.484 494 2HE2 GLN 30 HE22 GLN 30 13.021 14.594 -8.846 495 H HIS 31 HN HIS 31 12.294 14.166 -1.589 496 HA HIS 31 HA HIS 31 13.502 16.656 -0.671 497 1HB HIS 31 HB2 HIS 31 11.436 17.524 0.273 498 2HB HIS 31 HB1 HIS 31 11.255 17.303 -1.464 499 HD1 HIS 31 HD1 HIS 31 10.080 14.848 -2.062 500 HD2 HIS 31 HD2 HIS 31 9.357 16.513 1.671 501 HE1 HIS 31 HE1 HIS 31 7.987 13.741 -1.225 502 HE2 HIS 31 HE2 HIS 31 7.687 14.626 1.112 503 HA PRO 32 HA PRO 32 13.543 13.162 2.425 504 1HB PRO 32 HB2 PRO 32 16.217 12.986 2.721 505 2HB PRO 32 HB1 PRO 32 15.358 12.146 1.424 506 1HG PRO 32 HG2 PRO 32 16.892 14.716 1.328 507 2HG PRO 32 HG1 PRO 32 16.889 13.370 0.173 508 1HD PRO 32 HD2 PRO 32 15.458 15.662 -0.195 509 2HD PRO 32 HD1 PRO 32 14.961 14.088 -0.848 510 H ARG 33 HN ARG 33 12.713 15.514 3.242 511 HA ARG 33 HA ARG 33 14.138 15.941 5.694 512 1HB ARG 33 HB2 ARG 33 14.303 17.919 3.470 513 2HB ARG 33 HB1 ARG 33 14.128 18.535 5.107 514 1HG ARG 33 HG2 ARG 33 16.334 18.381 5.278 515 2HG ARG 33 HG1 ARG 33 16.121 16.630 5.329 516 1HD ARG 33 HD2 ARG 33 17.635 16.864 3.607 517 2HD ARG 33 HD1 ARG 33 16.105 16.835 2.732 518 HE ARG 33 HE ARG 33 16.453 19.014 2.112 519 1HH1 ARG 33 HH11 ARG 33 18.661 18.198 4.688 520 2HH1 ARG 33 HH12 ARG 33 19.568 19.667 4.545 521 1HH2 ARG 33 HH21 ARG 33 17.644 20.946 1.923 522 2HH2 ARG 33 HH22 ARG 33 18.990 21.227 2.975 Start of MODEL 36 1 H CYS 1 HT1 CYS 1 12.153 20.267 7.190 2 HA CYS 1 HA CYS 1 12.175 17.706 5.770 3 1HB CYS 1 HB2 CYS 1 10.870 18.576 8.002 4 2HB CYS 1 HB1 CYS 1 9.707 18.996 6.749 5 HG CYS 1 HG CYS 1 10.715 16.074 6.855 6 H GLY 2 HN GLY 2 9.698 17.918 4.628 7 1HA GLY 2 HA2 GLY 2 10.290 19.617 2.353 8 2HA GLY 2 HA1 GLY 2 8.982 18.452 2.473 9 H GLY 3 HN GLY 3 7.092 19.064 3.771 10 1HA GLY 3 HA2 GLY 3 5.338 20.527 4.078 11 2HA GLY 3 HA1 GLY 3 6.548 21.521 4.875 12 H ASP 4 HN ASP 4 5.821 20.612 1.505 13 HA ASP 4 HA ASP 4 5.566 23.452 0.841 14 1HB ASP 4 HB2 ASP 4 7.486 21.487 -0.404 15 2HB ASP 4 HB1 ASP 4 6.965 22.946 -1.248 16 H ASN 5 HN ASN 5 5.928 20.707 -1.311 17 HA ASN 5 HA ASN 5 3.065 20.628 -1.864 18 1HB ASN 5 HB2 ASN 5 5.167 21.586 -3.732 19 2HB ASN 5 HB1 ASN 5 3.966 20.487 -4.403 20 1HD2 ASN 5 HD21 ASN 5 1.654 21.099 -3.543 21 2HD2 ASN 5 HD22 ASN 5 1.244 22.764 -3.753 22 H ILE 6 HN ILE 6 6.288 19.350 -2.499 23 HA ILE 6 HA ILE 6 5.490 16.834 -3.510 24 HB ILE 6 HB ILE 6 8.019 17.154 -1.936 25 1HG1 ILE 6 HG12 ILE 6 7.407 18.414 -4.610 26 2HG1 ILE 6 HG11 ILE 6 8.075 19.182 -3.175 27 1HG2 ILE 6 HG21 ILE 6 7.447 14.998 -2.906 28 2HG2 ILE 6 HG22 ILE 6 8.909 15.670 -3.629 29 3HG2 ILE 6 HG23 ILE 6 7.381 15.732 -4.508 30 1HD1 ILE 6 HD11 ILE 6 9.737 18.865 -4.949 31 2HD1 ILE 6 HD12 ILE 6 9.494 17.121 -4.844 32 3HD1 ILE 6 HD13 ILE 6 10.158 18.003 -3.469 33 H GLU 7 HN GLU 7 6.556 17.899 -0.316 34 HA GLU 7 HA GLU 7 6.342 15.525 1.086 35 1HB GLU 7 HB2 GLU 7 7.305 17.570 2.028 36 2HB GLU 7 HB1 GLU 7 5.713 18.313 2.071 37 1HG GLU 7 HG2 GLU 7 5.441 17.521 4.115 38 2HG GLU 7 HG1 GLU 7 5.477 15.886 3.457 39 H GLN 8 HN GLN 8 3.811 17.775 0.159 40 HA GLN 8 HA GLN 8 1.779 16.485 1.724 41 1HB GLN 8 HB2 GLN 8 1.775 18.915 0.981 42 2HB GLN 8 HB1 GLN 8 1.350 18.332 -0.622 43 1HG GLN 8 HG2 GLN 8 -0.289 17.528 1.738 44 2HG GLN 8 HG1 GLN 8 -0.505 19.119 1.008 45 1HE2 GLN 8 HE21 GLN 8 -0.459 18.854 -1.554 46 2HE2 GLN 8 HE22 GLN 8 -1.601 17.698 -2.141 47 H LYS 9 HN LYS 9 3.016 16.245 -1.531 48 HA LYS 9 HA LYS 9 0.911 14.826 -2.716 49 1HB LYS 9 HB2 LYS 9 3.577 15.592 -3.404 50 2HB LYS 9 HB1 LYS 9 3.367 13.893 -3.802 51 1HG LYS 9 HG2 LYS 9 2.763 15.045 -5.740 52 2HG LYS 9 HG1 LYS 9 1.230 14.597 -4.988 53 1HD LYS 9 HD2 LYS 9 0.666 16.740 -4.559 54 2HD LYS 9 HD1 LYS 9 2.323 17.206 -4.169 55 1HE LYS 9 HE2 LYS 9 2.545 16.739 -6.823 56 2HE LYS 9 HE1 LYS 9 0.877 17.303 -6.733 57 1HZ LYS 9 HZ1 LYS 9 3.331 18.739 -5.906 58 2HZ LYS 9 HZ2 LYS 9 1.788 19.235 -5.422 59 3HZ LYS 9 HZ3 LYS 9 2.187 19.203 -7.065 60 H ILE 10 HN ILE 10 3.701 13.733 -0.850 61 HA ILE 10 HA ILE 10 3.214 10.960 -1.251 62 HB ILE 10 HB ILE 10 4.676 10.658 0.775 63 1HG1 ILE 10 HG12 ILE 10 5.104 13.635 0.494 64 2HG1 ILE 10 HG11 ILE 10 4.163 12.886 1.781 65 1HG2 ILE 10 HG21 ILE 10 6.245 12.363 -1.029 66 2HG2 ILE 10 HG22 ILE 10 5.293 11.102 -1.813 67 3HG2 ILE 10 HG23 ILE 10 6.473 10.675 -0.574 68 1HD1 ILE 10 HD11 ILE 10 6.407 13.445 2.521 69 2HD1 ILE 10 HD12 ILE 10 7.088 12.431 1.249 70 3HD1 ILE 10 HD13 ILE 10 6.144 11.702 2.548 71 H ASP 11 HN ASP 11 2.366 13.235 1.347 72 HA ASP 11 HA ASP 11 1.319 11.496 3.211 73 1HB ASP 11 HB2 ASP 11 1.511 14.006 3.422 74 2HB ASP 11 HB1 ASP 11 0.040 14.133 2.462 75 H ASP 12 HN ASP 12 -0.034 12.591 0.191 76 HA ASP 12 HA ASP 12 -2.658 11.556 0.579 77 1HB ASP 12 HB2 ASP 12 -1.097 12.680 -1.669 78 2HB ASP 12 HB1 ASP 12 -2.362 11.543 -2.128 79 H ILE 13 HN ILE 13 0.264 10.355 -1.003 80 HA ILE 13 HA ILE 13 -0.771 7.905 -1.900 81 HB ILE 13 HB ILE 13 2.072 8.408 -1.021 82 1HG1 ILE 13 HG12 ILE 13 0.686 9.056 -3.626 83 2HG1 ILE 13 HG11 ILE 13 1.480 10.181 -2.530 84 1HG2 ILE 13 HG21 ILE 13 2.616 6.456 -1.983 85 2HG2 ILE 13 HG22 ILE 13 1.538 6.722 -3.353 86 3HG2 ILE 13 HG23 ILE 13 0.898 6.082 -1.838 87 1HD1 ILE 13 HD11 ILE 13 2.775 8.100 -4.266 88 2HD1 ILE 13 HD12 ILE 13 3.630 9.023 -3.031 89 3HD1 ILE 13 HD13 ILE 13 2.897 9.854 -4.404 90 H ASP 14 HN ASP 14 0.964 8.747 1.096 91 HA ASP 14 HA ASP 14 1.133 6.283 2.294 92 1HB ASP 14 HB2 ASP 14 1.782 8.737 3.099 93 2HB ASP 14 HB1 ASP 14 0.286 8.568 4.012 94 H HIS 15 HN HIS 15 -1.688 8.317 1.911 95 HA HIS 15 HA HIS 15 -3.335 6.823 3.721 96 1HB HIS 15 HB2 HIS 15 -3.594 9.282 2.828 97 2HB HIS 15 HB1 HIS 15 -4.452 8.500 1.505 98 HD1 HIS 15 HD1 HIS 15 -5.241 6.459 4.246 99 HD2 HIS 15 HD2 HIS 15 -6.435 10.265 3.081 100 HE1 HIS 15 HE1 HIS 15 -7.408 6.881 5.449 101 HE2 HIS 15 HE2 HIS 15 -8.065 9.225 4.798 102 H GLU 16 HN GLU 16 -2.481 6.653 0.361 103 HA GLU 16 HA GLU 16 -4.612 4.811 -0.291 104 1HB GLU 16 HB2 GLU 16 -2.230 5.452 -2.016 105 2HB GLU 16 HB1 GLU 16 -3.822 4.903 -2.522 106 1HG GLU 16 HG2 GLU 16 -3.539 7.515 -1.110 107 2HG GLU 16 HG1 GLU 16 -3.130 7.390 -2.820 108 H ILE 17 HN ILE 17 -1.182 4.714 0.407 109 HA ILE 17 HA ILE 17 -0.655 2.067 -0.385 110 HB ILE 17 HB ILE 17 0.700 3.537 1.877 111 1HG1 ILE 17 HG12 ILE 17 1.738 3.572 -0.923 112 2HG1 ILE 17 HG11 ILE 17 0.457 4.696 -0.487 113 1HG2 ILE 17 HG21 ILE 17 1.206 1.056 0.407 114 2HG2 ILE 17 HG22 ILE 17 1.764 1.568 2.000 115 3HG2 ILE 17 HG23 ILE 17 2.608 2.117 0.551 116 1HD1 ILE 17 HD11 ILE 17 3.198 5.013 -0.120 117 2HD1 ILE 17 HD12 ILE 17 2.535 4.730 1.491 118 3HD1 ILE 17 HD13 ILE 17 1.905 6.043 0.496 119 H ALA 18 HN ALA 18 -1.968 3.466 2.543 120 HA ALA 18 HA ALA 18 -1.859 1.015 4.050 121 1HB ALA 18 HB1 ALA 18 -3.550 2.567 5.466 122 2HB ALA 18 HB2 ALA 18 -2.688 3.797 4.543 123 3HB ALA 18 HB3 ALA 18 -1.793 2.678 5.571 124 H ASP 19 HN ASP 19 -4.275 2.802 2.210 125 HA ASP 19 HA ASP 19 -6.583 1.484 3.000 126 1HB ASP 19 HB2 ASP 19 -5.920 3.357 1.062 127 2HB ASP 19 HB1 ASP 19 -6.532 1.994 0.128 128 H LEU 20 HN LEU 20 -4.257 0.586 0.480 129 HA LEU 20 HA LEU 20 -5.642 -1.729 -0.377 130 1HB LEU 20 HB2 LEU 20 -2.669 -1.350 -0.561 131 2HB LEU 20 HB1 LEU 20 -3.714 -2.258 -1.635 132 HG LEU 20 HG LEU 20 -3.398 0.722 -1.433 133 1HD1 LEU 20 HD11 LEU 20 -1.828 -0.210 -2.901 134 2HD1 LEU 20 HD12 LEU 20 -3.129 0.370 -3.939 135 3HD1 LEU 20 HD13 LEU 20 -2.997 -1.349 -3.568 136 1HD2 LEU 20 HD21 LEU 20 -5.522 -0.731 -3.005 137 2HD2 LEU 20 HD22 LEU 20 -5.252 1.011 -2.934 138 3HD2 LEU 20 HD23 LEU 20 -5.813 0.146 -1.502 139 H GLN 21 HN GLN 21 -2.836 -1.309 1.776 140 HA GLN 21 HA GLN 21 -2.339 -3.933 2.423 141 1HB GLN 21 HB2 GLN 21 -1.048 -1.888 3.162 142 2HB GLN 21 HB1 GLN 21 -2.252 -1.678 4.427 143 1HG GLN 21 HG2 GLN 21 -1.644 -3.722 5.466 144 2HG GLN 21 HG1 GLN 21 -0.641 -4.192 4.094 145 1HE2 GLN 21 HE21 GLN 21 1.004 -2.307 3.565 146 2HE2 GLN 21 HE22 GLN 21 1.931 -1.791 4.927 147 H ALA 22 HN ALA 22 -4.886 -1.843 3.625 148 HA ALA 22 HA ALA 22 -5.743 -3.600 5.707 149 1HB ALA 22 HB1 ALA 22 -6.217 -1.005 5.174 150 2HB ALA 22 HB2 ALA 22 -7.228 -1.984 6.237 151 3HB ALA 22 HB3 ALA 22 -7.707 -1.722 4.560 152 H LYS 23 HN LYS 23 -6.469 -3.231 2.312 153 HA LYS 23 HA LYS 23 -8.848 -4.776 2.279 154 1HB LYS 23 HB2 LYS 23 -6.870 -4.006 0.141 155 2HB LYS 23 HB1 LYS 23 -8.286 -4.989 -0.203 156 1HG LYS 23 HG2 LYS 23 -9.702 -3.246 -0.050 157 2HG LYS 23 HG1 LYS 23 -8.799 -2.489 1.263 158 1HD LYS 23 HD2 LYS 23 -7.557 -1.242 -0.145 159 2HD LYS 23 HD1 LYS 23 -7.411 -2.544 -1.328 160 1HE LYS 23 HE2 LYS 23 -9.878 -0.862 -0.911 161 2HE LYS 23 HE1 LYS 23 -8.672 -0.581 -2.166 162 1HZ LYS 23 HZ1 LYS 23 -10.853 -2.062 -2.521 163 2HZ LYS 23 HZ2 LYS 23 -9.767 -3.267 -2.047 164 3HZ LYS 23 HZ3 LYS 23 -9.419 -2.298 -3.388 165 H ARG 24 HN ARG 24 -5.444 -5.566 2.126 166 HA ARG 24 HA ARG 24 -5.795 -8.245 1.201 167 1HB ARG 24 HB2 ARG 24 -3.591 -6.527 2.008 168 2HB ARG 24 HB1 ARG 24 -3.384 -8.173 2.591 169 1HG ARG 24 HG2 ARG 24 -3.984 -8.818 0.139 170 2HG ARG 24 HG1 ARG 24 -3.505 -7.156 -0.203 171 1HD ARG 24 HD2 ARG 24 -1.382 -7.794 -0.199 172 2HD ARG 24 HD1 ARG 24 -1.539 -8.233 1.501 173 HE ARG 24 HE ARG 24 -2.441 -10.223 -0.403 174 1HH1 ARG 24 HH11 ARG 24 0.191 -9.064 1.581 175 2HH1 ARG 24 HH12 ARG 24 1.012 -10.588 1.596 176 1HH2 ARG 24 HH21 ARG 24 -1.358 -12.224 -0.383 177 2HH2 ARG 24 HH22 ARG 24 0.136 -12.380 0.481 178 H THR 25 HN THR 25 -5.402 -6.760 4.390 179 HA THR 25 HA THR 25 -5.257 -9.162 5.860 180 HB THR 25 HB THR 25 -6.504 -6.850 7.192 181 HG1 THR 25 HG1 THR 25 -5.256 -5.565 6.013 182 1HG2 THR 25 HG21 THR 25 -3.846 -7.821 7.984 183 2HG2 THR 25 HG22 THR 25 -5.167 -8.984 8.102 184 3HG2 THR 25 HG23 THR 25 -5.265 -7.448 8.963 185 H ARG 26 HN ARG 26 -8.007 -6.916 5.444 186 HA ARG 26 HA ARG 26 -9.926 -8.337 6.801 187 1HB ARG 26 HB2 ARG 26 -11.590 -7.172 5.498 188 2HB ARG 26 HB1 ARG 26 -10.252 -6.079 5.827 189 1HG ARG 26 HG2 ARG 26 -10.497 -5.606 3.643 190 2HG ARG 26 HG1 ARG 26 -9.465 -7.023 3.452 191 1HD ARG 26 HD2 ARG 26 -11.182 -8.345 2.721 192 2HD ARG 26 HD1 ARG 26 -12.400 -7.445 3.621 193 HE ARG 26 HE ARG 26 -11.685 -7.046 0.928 194 1HH1 ARG 26 HH11 ARG 26 -12.461 -5.237 3.810 195 2HH1 ARG 26 HH12 ARG 26 -13.073 -3.872 2.938 196 1HH2 ARG 26 HH21 ARG 26 -12.491 -5.252 -0.220 197 2HH2 ARG 26 HH22 ARG 26 -13.091 -3.880 0.651 198 H LEU 27 HN LEU 27 -8.807 -8.802 3.486 199 HA LEU 27 HA LEU 27 -10.692 -10.781 2.776 200 1HB LEU 27 HB2 LEU 27 -8.180 -9.728 1.686 201 2HB LEU 27 HB1 LEU 27 -8.446 -11.425 1.330 202 HG LEU 27 HG LEU 27 -10.870 -10.398 0.670 203 1HD1 LEU 27 HD11 LEU 27 -10.019 -8.101 1.135 204 2HD1 LEU 27 HD12 LEU 27 -10.608 -8.340 -0.510 205 3HD1 LEU 27 HD13 LEU 27 -8.874 -8.315 -0.188 206 1HD2 LEU 27 HD21 LEU 27 -8.823 -10.210 -1.446 207 2HD2 LEU 27 HD22 LEU 27 -10.340 -11.107 -1.408 208 3HD2 LEU 27 HD23 LEU 27 -8.915 -11.746 -0.585 209 H VAL 28 HN VAL 28 -7.515 -10.892 4.310 210 HA VAL 28 HA VAL 28 -7.199 -13.689 4.336 211 HB VAL 28 HB VAL 28 -6.186 -11.757 6.419 212 1HG1 VAL 28 HG11 VAL 28 -4.595 -14.096 5.608 213 2HG1 VAL 28 HG12 VAL 28 -6.080 -14.452 6.488 214 3HG1 VAL 28 HG13 VAL 28 -4.859 -13.401 7.206 215 1HG2 VAL 28 HG21 VAL 28 -4.826 -10.858 4.911 216 2HG2 VAL 28 HG22 VAL 28 -5.617 -11.807 3.652 217 3HG2 VAL 28 HG23 VAL 28 -4.204 -12.453 4.487 218 H GLN 29 HN GLN 29 -8.675 -11.444 6.633 219 HA GLN 29 HA GLN 29 -9.257 -13.179 8.713 220 1HB GLN 29 HB2 GLN 29 -10.468 -10.665 7.684 221 2HB GLN 29 HB1 GLN 29 -11.429 -11.611 8.811 222 1HG GLN 29 HG2 GLN 29 -10.215 -9.969 10.040 223 2HG GLN 29 HG1 GLN 29 -9.531 -11.553 10.401 224 1HE2 GLN 29 HE21 GLN 29 -8.881 -8.412 9.427 225 2HE2 GLN 29 HE22 GLN 29 -7.241 -8.629 8.930 226 H GLN 30 HN GLN 30 -10.729 -12.829 5.584 227 HA GLN 30 HA GLN 30 -13.058 -14.395 6.171 228 1HB GLN 30 HB2 GLN 30 -12.797 -12.648 4.318 229 2HB GLN 30 HB1 GLN 30 -11.909 -13.880 3.433 230 1HG GLN 30 HG2 GLN 30 -14.023 -14.138 2.590 231 2HG GLN 30 HG1 GLN 30 -14.012 -15.338 3.882 232 1HE2 GLN 30 HE21 GLN 30 -15.126 -14.882 5.817 233 2HE2 GLN 30 HE22 GLN 30 -16.396 -13.711 5.863 234 H HIS 31 HN HIS 31 -9.808 -15.020 5.043 235 HA HIS 31 HA HIS 31 -10.378 -17.891 5.178 236 1HB HIS 31 HB2 HIS 31 -9.163 -18.364 3.135 237 2HB HIS 31 HB1 HIS 31 -10.470 -17.237 2.789 238 HD1 HIS 31 HD1 HIS 31 -9.493 -14.573 3.007 239 HD2 HIS 31 HD2 HIS 31 -6.899 -17.610 1.877 240 HE1 HIS 31 HE1 HIS 31 -7.595 -13.433 1.823 241 HE2 HIS 31 HE2 HIS 31 -5.947 -15.273 1.340 242 HA PRO 32 HA PRO 32 -6.368 -16.634 7.222 243 1HB PRO 32 HB2 PRO 32 -7.042 -16.904 9.797 244 2HB PRO 32 HB1 PRO 32 -7.427 -15.432 8.895 245 1HG PRO 32 HG2 PRO 32 -9.195 -17.733 9.613 246 2HG PRO 32 HG1 PRO 32 -9.554 -15.998 9.628 247 1HD PRO 32 HD2 PRO 32 -10.274 -17.735 7.604 248 2HD PRO 32 HD1 PRO 32 -10.098 -15.981 7.412 249 H ARG 33 HN ARG 33 -8.652 -19.206 8.011 250 HA ARG 33 HA ARG 33 -6.396 -21.084 8.152 251 1HB ARG 33 HB2 ARG 33 -7.563 -22.299 9.971 252 2HB ARG 33 HB1 ARG 33 -7.065 -20.679 10.440 253 1HG ARG 33 HG2 ARG 33 -9.596 -20.243 9.520 254 2HG ARG 33 HG1 ARG 33 -9.736 -21.845 10.246 255 1HD ARG 33 HD2 ARG 33 -8.332 -20.595 12.164 256 2HD ARG 33 HD1 ARG 33 -9.218 -19.222 11.505 257 HE ARG 33 HE ARG 33 -10.868 -21.511 12.063 258 1HH1 ARG 33 HH11 ARG 33 -9.444 -18.614 13.391 259 2HH1 ARG 33 HH12 ARG 33 -10.623 -18.462 14.650 260 1HH2 ARG 33 HH21 ARG 33 -12.419 -21.310 13.718 261 2HH2 ARG 33 HH22 ARG 33 -12.312 -19.993 14.836 262 H CYS 1 HN CYS 1 -6.504 -22.377 5.599 263 HA CYS 1 HA CYS 1 -4.252 -20.921 4.566 264 1HB CYS 1 HB2 CYS 1 -4.732 -23.669 3.412 265 2HB CYS 1 HB1 CYS 1 -3.427 -22.551 3.029 266 HG CYS 1 HG CYS 1 -3.077 -24.664 4.922 267 H GLY 2 HN GLY 2 -4.514 -20.435 2.229 268 1HA GLY 2 HA2 GLY 2 -7.379 -20.188 1.612 269 2HA GLY 2 HA1 GLY 2 -6.103 -19.168 0.968 270 H GLY 3 HN GLY 3 -4.892 -19.867 -0.806 271 1HA GLY 3 HA2 GLY 3 -4.724 -20.848 -2.886 272 2HA GLY 3 HA1 GLY 3 -4.767 -22.345 -1.967 273 H ASP 4 HN ASP 4 -7.367 -19.989 -2.256 274 HA ASP 4 HA ASP 4 -8.936 -21.992 -3.734 275 1HB ASP 4 HB2 ASP 4 -9.729 -20.197 -1.446 276 2HB ASP 4 HB1 ASP 4 -10.925 -20.949 -2.502 277 H ASN 5 HN ASN 5 -9.861 -18.755 -2.763 278 HA ASN 5 HA ASN 5 -9.608 -17.762 -5.498 279 1HB ASN 5 HB2 ASN 5 -12.137 -18.315 -4.090 280 2HB ASN 5 HB1 ASN 5 -12.031 -16.699 -4.780 281 1HD2 ASN 5 HD21 ASN 5 -10.797 -16.927 -7.072 282 2HD2 ASN 5 HD22 ASN 5 -11.595 -18.024 -8.140 283 H ILE 6 HN ILE 6 -10.479 -17.094 -2.138 284 HA ILE 6 HA ILE 6 -10.150 -14.299 -2.218 285 HB ILE 6 HB ILE 6 -9.524 -15.951 0.215 286 1HG1 ILE 6 HG12 ILE 6 -12.230 -15.386 -1.002 287 2HG1 ILE 6 HG11 ILE 6 -11.554 -16.944 -0.541 288 1HG2 ILE 6 HG21 ILE 6 -10.859 -13.275 -0.123 289 2HG2 ILE 6 HG22 ILE 6 -9.164 -13.538 0.293 290 3HG2 ILE 6 HG23 ILE 6 -10.435 -14.054 1.402 291 1HD1 ILE 6 HD11 ILE 6 -12.984 -16.607 1.189 292 2HD1 ILE 6 HD12 ILE 6 -12.820 -14.852 1.133 293 3HD1 ILE 6 HD13 ILE 6 -11.543 -15.835 1.850 294 H GLU 7 HN GLU 7 -7.979 -16.926 -1.290 295 HA GLU 7 HA GLU 7 -5.750 -15.446 -0.565 296 1HB GLU 7 HB2 GLU 7 -6.286 -18.082 -0.693 297 2HB GLU 7 HB1 GLU 7 -5.240 -17.931 -2.099 298 1HG GLU 7 HG2 GLU 7 -4.032 -16.511 0.033 299 2HG GLU 7 HG1 GLU 7 -4.525 -18.089 0.643 300 H GLN 8 HN GLN 8 -6.942 -16.262 -3.753 301 HA GLN 8 HA GLN 8 -4.571 -15.347 -5.108 302 1HB GLN 8 HB2 GLN 8 -6.196 -17.105 -5.973 303 2HB GLN 8 HB1 GLN 8 -7.297 -15.780 -6.325 304 1HG GLN 8 HG2 GLN 8 -5.651 -14.797 -7.827 305 2HG GLN 8 HG1 GLN 8 -4.527 -16.105 -7.460 306 1HE2 GLN 8 HE21 GLN 8 -4.744 -16.102 -9.920 307 2HE2 GLN 8 HE22 GLN 8 -5.926 -17.179 -10.575 308 H LYS 9 HN LYS 9 -7.746 -14.083 -4.303 309 HA LYS 9 HA LYS 9 -7.649 -11.736 -5.844 310 1HB LYS 9 HB2 LYS 9 -9.220 -12.695 -3.516 311 2HB LYS 9 HB1 LYS 9 -9.194 -10.959 -3.786 312 1HG LYS 9 HG2 LYS 9 -10.023 -11.293 -6.057 313 2HG LYS 9 HG1 LYS 9 -10.043 -13.038 -5.793 314 1HD LYS 9 HD2 LYS 9 -12.230 -12.528 -5.333 315 2HD LYS 9 HD1 LYS 9 -11.527 -12.374 -3.723 316 1HE LYS 9 HE2 LYS 9 -12.862 -10.459 -3.997 317 2HE LYS 9 HE1 LYS 9 -11.209 -9.912 -4.266 318 1HZ LYS 9 HZ1 LYS 9 -11.784 -10.406 -6.732 319 2HZ LYS 9 HZ2 LYS 9 -12.315 -8.966 -6.021 320 3HZ LYS 9 HZ3 LYS 9 -13.387 -10.261 -6.208 321 H ILE 10 HN ILE 10 -6.452 -12.500 -2.622 322 HA ILE 10 HA ILE 10 -5.749 -9.823 -1.954 323 HB ILE 10 HB ILE 10 -4.267 -10.901 -0.229 324 1HG1 ILE 10 HG12 ILE 10 -5.640 -13.436 -1.139 325 2HG1 ILE 10 HG11 ILE 10 -3.951 -13.044 -1.452 326 1HG2 ILE 10 HG21 ILE 10 -6.875 -10.330 -0.186 327 2HG2 ILE 10 HG22 ILE 10 -6.012 -10.986 1.204 328 3HG2 ILE 10 HG23 ILE 10 -6.953 -12.057 0.165 329 1HD1 ILE 10 HD11 ILE 10 -5.211 -13.415 1.253 330 2HD1 ILE 10 HD12 ILE 10 -3.523 -13.001 0.952 331 3HD1 ILE 10 HD13 ILE 10 -4.157 -14.559 0.422 332 H ASP 11 HN ASP 11 -3.938 -12.576 -3.287 333 HA ASP 11 HA ASP 11 -1.380 -11.545 -3.251 334 1HB ASP 11 HB2 ASP 11 -2.474 -13.789 -4.281 335 2HB ASP 11 HB1 ASP 11 -2.184 -12.894 -5.769 336 H ASP 12 HN ASP 12 -4.061 -10.799 -5.351 337 HA ASP 12 HA ASP 12 -2.623 -9.244 -7.248 338 1HB ASP 12 HB2 ASP 12 -5.152 -10.196 -7.165 339 2HB ASP 12 HB1 ASP 12 -5.447 -8.531 -6.672 340 H ILE 13 HN ILE 13 -4.442 -8.491 -4.316 341 HA ILE 13 HA ILE 13 -4.118 -5.703 -4.370 342 HB ILE 13 HB ILE 13 -4.295 -7.427 -1.898 343 1HG1 ILE 13 HG12 ILE 13 -6.488 -6.344 -3.674 344 2HG1 ILE 13 HG11 ILE 13 -6.102 -8.038 -3.387 345 1HG2 ILE 13 HG21 ILE 13 -3.888 -4.726 -2.113 346 2HG2 ILE 13 HG22 ILE 13 -4.577 -5.549 -0.715 347 3HG2 ILE 13 HG23 ILE 13 -5.638 -4.836 -1.929 348 1HD1 ILE 13 HD11 ILE 13 -6.989 -6.177 -1.205 349 2HD1 ILE 13 HD12 ILE 13 -6.899 -7.938 -1.169 350 3HD1 ILE 13 HD13 ILE 13 -8.108 -7.137 -2.173 351 H ASP 14 HN ASP 14 -2.192 -8.258 -2.810 352 HA ASP 14 HA ASP 14 -0.310 -6.756 -1.490 353 1HB ASP 14 HB2 ASP 14 -0.606 -9.374 -1.833 354 2HB ASP 14 HB1 ASP 14 0.662 -9.120 -3.028 355 H HIS 15 HN HIS 15 -0.598 -7.332 -4.927 356 HA HIS 15 HA HIS 15 1.993 -6.281 -5.577 357 1HB HIS 15 HB2 HIS 15 0.498 -7.905 -6.955 358 2HB HIS 15 HB1 HIS 15 -0.302 -6.438 -7.510 359 HD1 HIS 15 HD1 HIS 15 3.075 -5.485 -7.102 360 HD2 HIS 15 HD2 HIS 15 1.028 -7.715 -9.949 361 HE1 HIS 15 HE1 HIS 15 4.539 -5.469 -9.146 362 HE2 HIS 15 HE2 HIS 15 3.242 -6.754 -10.883 363 H GLU 16 HN GLU 16 -1.216 -5.021 -5.136 364 HA GLU 16 HA GLU 16 -0.597 -2.475 -6.356 365 1HB GLU 16 HB2 GLU 16 -3.013 -3.091 -4.669 366 2HB GLU 16 HB1 GLU 16 -2.849 -1.881 -5.936 367 1HG GLU 16 HG2 GLU 16 -2.954 -3.481 -7.636 368 2HG GLU 16 HG1 GLU 16 -2.620 -4.810 -6.525 369 H ILE 17 HN ILE 17 -0.819 -3.855 -3.151 370 HA ILE 17 HA ILE 17 -0.784 -1.468 -1.656 371 HB ILE 17 HB ILE 17 0.390 -4.117 -0.805 372 1HG1 ILE 17 HG12 ILE 17 -2.418 -3.312 -0.178 373 2HG1 ILE 17 HG11 ILE 17 -2.074 -4.010 -1.754 374 1HG2 ILE 17 HG21 ILE 17 0.904 -2.867 0.986 375 2HG2 ILE 17 HG22 ILE 17 -0.810 -3.013 1.374 376 3HG2 ILE 17 HG23 ILE 17 -0.213 -1.581 0.533 377 1HD1 ILE 17 HD11 ILE 17 -2.575 -5.352 0.638 378 2HD1 ILE 17 HD12 ILE 17 -0.856 -5.579 0.313 379 3HD1 ILE 17 HD13 ILE 17 -2.052 -6.046 -0.896 380 H ALA 18 HN ALA 18 1.735 -3.456 -3.065 381 HA ALA 18 HA ALA 18 3.899 -2.061 -1.792 382 1HB ALA 18 HB1 ALA 18 3.608 -4.321 -3.658 383 2HB ALA 18 HB2 ALA 18 4.677 -4.122 -2.270 384 3HB ALA 18 HB3 ALA 18 5.094 -3.385 -3.816 385 H ASP 19 HN ASP 19 2.253 -1.930 -4.900 386 HA ASP 19 HA ASP 19 4.044 -0.380 -6.346 387 1HB ASP 19 HB2 ASP 19 1.878 -1.449 -7.157 388 2HB ASP 19 HB1 ASP 19 1.048 -0.046 -6.490 389 H LEU 20 HN LEU 20 1.409 0.677 -4.212 390 HA LEU 20 HA LEU 20 1.822 3.441 -4.536 391 1HB LEU 20 HB2 LEU 20 0.786 2.194 -2.010 392 2HB LEU 20 HB1 LEU 20 0.375 3.750 -2.704 393 HG LEU 20 HG LEU 20 -0.514 1.025 -3.609 394 1HD1 LEU 20 HD11 LEU 20 -1.910 1.857 -1.918 395 2HD1 LEU 20 HD12 LEU 20 -2.750 2.222 -3.424 396 3HD1 LEU 20 HD13 LEU 20 -1.872 3.492 -2.573 397 1HD2 LEU 20 HD21 LEU 20 0.184 2.392 -5.566 398 2HD2 LEU 20 HD22 LEU 20 -0.972 3.625 -5.064 399 3HD2 LEU 20 HD23 LEU 20 -1.540 2.024 -5.537 400 H GLN 21 HN GLN 21 2.912 1.226 -1.966 401 HA GLN 21 HA GLN 21 4.278 2.984 -0.363 402 1HB GLN 21 HB2 GLN 21 3.962 0.337 -0.311 403 2HB GLN 21 HB1 GLN 21 5.606 0.381 -0.932 404 1HG GLN 21 HG2 GLN 21 5.996 2.016 1.070 405 2HG GLN 21 HG1 GLN 21 4.554 1.235 1.718 406 1HE2 GLN 21 HE21 GLN 21 7.586 1.207 2.276 407 2HE2 GLN 21 HE22 GLN 21 7.932 -0.475 2.468 408 H ALA 22 HN ALA 22 5.224 1.726 -3.479 409 HA ALA 22 HA ALA 22 7.946 2.588 -3.340 410 1HB ALA 22 HB1 ALA 22 6.648 0.866 -4.945 411 2HB ALA 22 HB2 ALA 22 8.193 1.606 -5.360 412 3HB ALA 22 HB3 ALA 22 6.693 2.284 -5.994 413 H LYS 23 HN LYS 23 4.925 3.996 -4.412 414 HA LYS 23 HA LYS 23 6.018 6.185 -5.832 415 1HB LYS 23 HB2 LYS 23 3.367 6.197 -4.400 416 2HB LYS 23 HB1 LYS 23 3.824 7.099 -5.838 417 1HG LYS 23 HG2 LYS 23 3.349 4.139 -5.616 418 2HG LYS 23 HG1 LYS 23 2.380 5.322 -6.495 419 1HD LYS 23 HD2 LYS 23 4.289 5.752 -7.985 420 2HD LYS 23 HD1 LYS 23 5.226 4.532 -7.120 421 1HE LYS 23 HE2 LYS 23 4.024 2.790 -7.999 422 2HE LYS 23 HE1 LYS 23 2.570 3.763 -8.219 423 1HZ LYS 23 HZ1 LYS 23 3.945 3.055 -10.267 424 2HZ LYS 23 HZ2 LYS 23 4.969 4.328 -9.828 425 3HZ LYS 23 HZ3 LYS 23 3.346 4.635 -10.187 426 H ARG 24 HN ARG 24 5.309 5.639 -2.442 427 HA ARG 24 HA ARG 24 5.563 8.369 -1.649 428 1HB ARG 24 HB2 ARG 24 5.128 5.787 -0.355 429 2HB ARG 24 HB1 ARG 24 6.145 6.860 0.598 430 1HG ARG 24 HG2 ARG 24 4.290 8.615 0.100 431 2HG ARG 24 HG1 ARG 24 3.305 7.193 -0.242 432 1HD ARG 24 HD2 ARG 24 2.947 6.954 1.933 433 2HD ARG 24 HD1 ARG 24 4.671 6.667 2.163 434 HE ARG 24 HE ARG 24 3.851 9.446 2.044 435 1HH1 ARG 24 HH11 ARG 24 4.581 6.698 4.074 436 2HH1 ARG 24 HH12 ARG 24 4.895 7.663 5.475 437 1HH2 ARG 24 HH21 ARG 24 4.264 10.710 3.889 438 2HH2 ARG 24 HH22 ARG 24 4.715 9.939 5.373 439 H THR 25 HN THR 25 7.756 5.573 -1.541 440 HA THR 25 HA THR 25 9.914 6.830 -0.291 441 HB THR 25 HB THR 25 10.555 4.845 -2.381 442 HG1 THR 25 HG1 THR 25 9.570 3.173 -1.162 443 1HG2 THR 25 HG21 THR 25 11.359 3.719 -0.112 444 2HG2 THR 25 HG22 THR 25 11.320 5.403 0.413 445 3HG2 THR 25 HG23 THR 25 12.310 4.933 -0.969 446 H ARG 26 HN ARG 26 9.334 6.325 -3.769 447 HA ARG 26 HA ARG 26 11.576 7.590 -4.767 448 1HB ARG 26 HB2 ARG 26 10.281 7.965 -6.822 449 2HB ARG 26 HB1 ARG 26 10.029 6.347 -6.182 450 1HG ARG 26 HG2 ARG 26 7.896 7.056 -5.225 451 2HG ARG 26 HG1 ARG 26 8.149 8.679 -5.869 452 1HD ARG 26 HD2 ARG 26 8.398 7.464 -8.145 453 2HD ARG 26 HD1 ARG 26 7.586 6.128 -7.330 454 HE ARG 26 HE ARG 26 5.630 7.290 -7.490 455 1HH1 ARG 26 HH11 ARG 26 8.275 9.533 -7.878 456 2HH1 ARG 26 HH12 ARG 26 7.248 10.872 -8.264 457 1HH2 ARG 26 HH21 ARG 26 4.277 9.051 -7.999 458 2HH2 ARG 26 HH22 ARG 26 4.977 10.599 -8.333 459 H LEU 27 HN LEU 27 8.460 9.010 -3.870 460 HA LEU 27 HA LEU 27 9.076 11.651 -4.638 461 1HB LEU 27 HB2 LEU 27 7.047 10.362 -2.890 462 2HB LEU 27 HB1 LEU 27 7.307 12.084 -2.687 463 HG LEU 27 HG LEU 27 7.002 11.376 -5.488 464 1HD1 LEU 27 HD11 LEU 27 4.366 11.164 -4.794 465 2HD1 LEU 27 HD12 LEU 27 5.158 10.174 -3.570 466 3HD1 LEU 27 HD13 LEU 27 5.406 9.827 -5.280 467 1HD2 LEU 27 HD21 LEU 27 5.236 13.129 -3.807 468 2HD2 LEU 27 HD22 LEU 27 5.611 13.263 -5.525 469 3HD2 LEU 27 HD23 LEU 27 6.844 13.637 -4.321 470 H VAL 28 HN VAL 28 9.694 9.797 -1.717 471 HA VAL 28 HA VAL 28 10.477 11.964 -0.073 472 HB VAL 28 HB VAL 28 11.482 9.126 0.080 473 1HG1 VAL 28 HG11 VAL 28 11.879 9.599 2.420 474 2HG1 VAL 28 HG12 VAL 28 11.233 11.229 2.226 475 3HG1 VAL 28 HG13 VAL 28 12.734 10.772 1.419 476 1HG2 VAL 28 HG21 VAL 28 9.430 9.677 1.982 477 2HG2 VAL 28 HG22 VAL 28 9.454 8.463 0.703 478 3HG2 VAL 28 HG23 VAL 28 8.835 10.081 0.372 479 H GLN 29 HN GLN 29 12.301 9.743 -2.143 480 HA GLN 29 HA GLN 29 14.876 10.625 -1.632 481 1HB GLN 29 HB2 GLN 29 13.516 9.274 -3.882 482 2HB GLN 29 HB1 GLN 29 15.013 10.096 -4.297 483 1HG GLN 29 HG2 GLN 29 15.778 8.005 -3.780 484 2HG GLN 29 HG1 GLN 29 15.958 8.826 -2.230 485 1HE2 GLN 29 HE21 GLN 29 14.181 6.457 -4.034 486 2HE2 GLN 29 HE22 GLN 29 13.352 5.755 -2.691 487 H GLN 30 HN GLN 30 12.318 12.081 -3.484 488 HA GLN 30 HA GLN 30 13.942 14.033 -4.799 489 1HB GLN 30 HB2 GLN 30 11.511 13.152 -5.338 490 2HB GLN 30 HB1 GLN 30 11.030 14.470 -4.278 491 1HG GLN 30 HG2 GLN 30 11.788 16.091 -5.721 492 2HG GLN 30 HG1 GLN 30 12.931 15.004 -6.510 493 1HE2 GLN 30 HE21 GLN 30 10.555 16.775 -7.348 494 2HE2 GLN 30 HE22 GLN 30 9.664 15.753 -8.420 495 H HIS 31 HN HIS 31 12.270 13.805 -1.736 496 HA HIS 31 HA HIS 31 13.545 16.294 -0.908 497 1HB HIS 31 HB2 HIS 31 11.521 17.221 0.059 498 2HB HIS 31 HB1 HIS 31 11.288 16.951 -1.664 499 HD1 HIS 31 HD1 HIS 31 9.857 14.763 -2.281 500 HD2 HIS 31 HD2 HIS 31 9.672 16.016 1.671 501 HE1 HIS 31 HE1 HIS 31 7.814 13.662 -1.322 502 HE2 HIS 31 HE2 HIS 31 7.838 14.285 1.118 503 HA PRO 32 HA PRO 32 13.579 12.836 2.252 504 1HB PRO 32 HB2 PRO 32 16.262 12.599 2.470 505 2HB PRO 32 HB1 PRO 32 15.332 11.734 1.241 506 1HG PRO 32 HG2 PRO 32 16.925 14.255 0.984 507 2HG PRO 32 HG1 PRO 32 16.847 12.865 -0.114 508 1HD PRO 32 HD2 PRO 32 15.466 15.166 -0.542 509 2HD PRO 32 HD1 PRO 32 14.885 13.579 -1.078 510 H ARG 33 HN ARG 33 15.373 15.837 1.912 511 HA ARG 33 HA ARG 33 15.838 16.054 4.766 512 1HB ARG 33 HB2 ARG 33 16.517 17.784 2.399 513 2HB ARG 33 HB1 ARG 33 16.734 18.358 4.046 514 1HG ARG 33 HG2 ARG 33 18.776 17.480 3.887 515 2HG ARG 33 HG1 ARG 33 17.973 15.927 4.128 516 1HD ARG 33 HD2 ARG 33 18.587 15.260 2.102 517 2HD ARG 33 HD1 ARG 33 17.788 16.652 1.372 518 HE ARG 33 HE ARG 33 20.599 16.316 1.835 519 1HH1 ARG 33 HH11 ARG 33 18.038 18.655 1.444 520 2HH1 ARG 33 HH12 ARG 33 19.100 19.914 0.908 521 1HH2 ARG 33 HH21 ARG 33 21.996 17.971 1.131 522 2HH2 ARG 33 HH22 ARG 33 21.346 19.525 0.730 Start of MODEL 37 1 H CYS 1 HT1 CYS 1 7.424 22.424 -8.158 2 HA CYS 1 HA CYS 1 7.277 20.473 -5.974 3 1HB CYS 1 HB2 CYS 1 9.597 19.836 -6.704 4 2HB CYS 1 HB1 CYS 1 8.324 19.322 -7.806 5 HG CYS 1 HG CYS 1 10.612 20.685 -8.778 6 H GLY 2 HN GLY 2 7.370 21.915 -4.324 7 1HA GLY 2 HA2 GLY 2 9.839 23.316 -3.907 8 2HA GLY 2 HA1 GLY 2 8.500 24.407 -4.229 9 H GLY 3 HN GLY 3 10.249 23.501 -1.792 10 1HA GLY 3 HA2 GLY 3 9.919 23.571 0.483 11 2HA GLY 3 HA1 GLY 3 8.261 24.057 0.162 12 H ASP 4 HN ASP 4 6.996 22.761 1.327 13 HA ASP 4 HA ASP 4 7.671 19.939 1.619 14 1HB ASP 4 HB2 ASP 4 5.474 21.583 2.877 15 2HB ASP 4 HB1 ASP 4 5.832 19.902 3.259 16 H ASN 5 HN ASN 5 6.406 21.414 -0.821 17 HA ASN 5 HA ASN 5 3.815 20.536 -1.260 18 1HB ASN 5 HB2 ASN 5 6.039 21.465 -2.911 19 2HB ASN 5 HB1 ASN 5 5.016 20.304 -3.752 20 1HD2 ASN 5 HD21 ASN 5 2.552 20.853 -2.781 21 2HD2 ASN 5 HD22 ASN 5 2.081 22.458 -3.214 22 H ILE 6 HN ILE 6 6.809 18.816 -1.290 23 HA ILE 6 HA ILE 6 5.810 16.460 -2.598 24 HB ILE 6 HB ILE 6 8.273 16.675 -0.878 25 1HG1 ILE 6 HG12 ILE 6 8.903 16.893 -3.658 26 2HG1 ILE 6 HG11 ILE 6 7.702 18.121 -3.269 27 1HG2 ILE 6 HG21 ILE 6 9.098 14.844 -2.177 28 2HG2 ILE 6 HG22 ILE 6 7.708 14.924 -3.259 29 3HG2 ILE 6 HG23 ILE 6 7.490 14.429 -1.581 30 1HD1 ILE 6 HD11 ILE 6 10.462 17.774 -2.185 31 2HD1 ILE 6 HD12 ILE 6 9.244 18.676 -1.284 32 3HD1 ILE 6 HD13 ILE 6 9.710 19.199 -2.903 33 H GLU 7 HN GLU 7 6.593 17.435 0.703 34 HA GLU 7 HA GLU 7 6.031 15.036 2.010 35 1HB GLU 7 HB2 GLU 7 7.180 16.914 3.089 36 2HB GLU 7 HB1 GLU 7 5.702 17.866 3.026 37 1HG GLU 7 HG2 GLU 7 4.654 16.569 4.652 38 2HG GLU 7 HG1 GLU 7 5.791 15.237 4.455 39 H GLN 8 HN GLN 8 3.909 17.522 0.798 40 HA GLN 8 HA GLN 8 1.596 16.595 2.229 41 1HB GLN 8 HB2 GLN 8 1.990 18.956 1.326 42 2HB GLN 8 HB1 GLN 8 1.584 18.303 -0.255 43 1HG GLN 8 HG2 GLN 8 -0.594 17.544 0.724 44 2HG GLN 8 HG1 GLN 8 -0.178 18.460 2.173 45 1HE2 GLN 8 HE21 GLN 8 -2.246 19.517 1.570 46 2HE2 GLN 8 HE22 GLN 8 -2.177 20.860 0.485 47 H LYS 9 HN LYS 9 2.939 16.209 -1.001 48 HA LYS 9 HA LYS 9 0.804 14.816 -2.164 49 1HB LYS 9 HB2 LYS 9 3.706 15.120 -2.744 50 2HB LYS 9 HB1 LYS 9 2.859 13.793 -3.529 51 1HG LYS 9 HG2 LYS 9 1.501 15.208 -4.749 52 2HG LYS 9 HG1 LYS 9 1.735 16.559 -3.638 53 1HD LYS 9 HD2 LYS 9 3.645 17.221 -4.643 54 2HD LYS 9 HD1 LYS 9 4.173 15.567 -4.960 55 1HE LYS 9 HE2 LYS 9 3.739 16.710 -7.049 56 2HE LYS 9 HE1 LYS 9 2.556 15.426 -6.807 57 1HZ LYS 9 HZ1 LYS 9 0.968 17.083 -6.047 58 2HZ LYS 9 HZ2 LYS 9 1.512 17.450 -7.606 59 3HZ LYS 9 HZ3 LYS 9 2.105 18.314 -6.279 60 H ILE 10 HN ILE 10 3.572 13.706 -0.275 61 HA ILE 10 HA ILE 10 3.055 10.936 -0.647 62 HB ILE 10 HB ILE 10 4.482 10.639 1.402 63 1HG1 ILE 10 HG12 ILE 10 5.007 13.597 1.090 64 2HG1 ILE 10 HG11 ILE 10 3.976 12.912 2.344 65 1HG2 ILE 10 HG21 ILE 10 5.173 10.863 -1.121 66 2HG2 ILE 10 HG22 ILE 10 6.394 10.758 0.149 67 3HG2 ILE 10 HG23 ILE 10 5.971 12.325 -0.543 68 1HD1 ILE 10 HD11 ILE 10 6.118 13.329 3.282 69 2HD1 ILE 10 HD12 ILE 10 6.920 12.470 1.969 70 3HD1 ILE 10 HD13 ILE 10 5.924 11.583 3.123 71 H ASP 11 HN ASP 11 2.197 13.251 1.912 72 HA ASP 11 HA ASP 11 1.113 11.558 3.789 73 1HB ASP 11 HB2 ASP 11 1.208 14.251 3.523 74 2HB ASP 11 HB1 ASP 11 -0.502 13.973 3.204 75 H ASP 12 HN ASP 12 -0.203 12.618 0.738 76 HA ASP 12 HA ASP 12 -2.822 11.564 1.094 77 1HB ASP 12 HB2 ASP 12 -1.903 13.243 -0.701 78 2HB ASP 12 HB1 ASP 12 -1.521 11.780 -1.604 79 H ILE 13 HN ILE 13 0.146 10.360 -0.391 80 HA ILE 13 HA ILE 13 -0.841 7.890 -1.284 81 HB ILE 13 HB ILE 13 1.971 8.364 -0.299 82 1HG1 ILE 13 HG12 ILE 13 0.718 9.093 -2.954 83 2HG1 ILE 13 HG11 ILE 13 1.454 10.189 -1.791 84 1HG2 ILE 13 HG21 ILE 13 1.530 6.759 -2.697 85 2HG2 ILE 13 HG22 ILE 13 0.773 6.092 -1.251 86 3HG2 ILE 13 HG23 ILE 13 2.505 6.420 -1.267 87 1HD1 ILE 13 HD11 ILE 13 3.365 8.211 -2.517 88 2HD1 ILE 13 HD12 ILE 13 3.411 9.954 -2.781 89 3HD1 ILE 13 HD13 ILE 13 2.661 8.901 -3.980 90 H ASP 14 HN ASP 14 0.758 8.805 1.757 91 HA ASP 14 HA ASP 14 0.943 6.382 3.017 92 1HB ASP 14 HB2 ASP 14 1.531 8.815 3.815 93 2HB ASP 14 HB1 ASP 14 -0.053 8.734 4.581 94 H HIS 15 HN HIS 15 -1.923 8.339 2.520 95 HA HIS 15 HA HIS 15 -3.591 6.799 4.268 96 1HB HIS 15 HB2 HIS 15 -3.962 9.218 3.510 97 2HB HIS 15 HB1 HIS 15 -4.542 8.536 1.994 98 HD1 HIS 15 HD1 HIS 15 -5.518 6.390 4.729 99 HD2 HIS 15 HD2 HIS 15 -6.998 9.863 2.991 100 HE1 HIS 15 HE1 HIS 15 -7.912 6.551 5.482 101 HE2 HIS 15 HE2 HIS 15 -8.811 8.614 4.348 102 H GLU 16 HN GLU 16 -2.622 6.641 0.935 103 HA GLU 16 HA GLU 16 -4.673 4.727 0.241 104 1HB GLU 16 HB2 GLU 16 -2.278 5.438 -1.435 105 2HB GLU 16 HB1 GLU 16 -3.844 4.843 -1.970 106 1HG GLU 16 HG2 GLU 16 -4.880 6.905 -1.612 107 2HG GLU 16 HG1 GLU 16 -3.562 7.489 -0.595 108 H ILE 17 HN ILE 17 -1.270 4.746 1.053 109 HA ILE 17 HA ILE 17 -0.630 2.119 0.274 110 HB ILE 17 HB ILE 17 0.612 3.635 2.571 111 1HG1 ILE 17 HG12 ILE 17 1.735 3.698 -0.196 112 2HG1 ILE 17 HG11 ILE 17 0.402 4.777 0.192 113 1HG2 ILE 17 HG21 ILE 17 2.601 2.273 1.303 114 2HG2 ILE 17 HG22 ILE 17 1.237 1.167 1.125 115 3HG2 ILE 17 HG23 ILE 17 1.735 1.703 2.731 116 1HD1 ILE 17 HD11 ILE 17 3.190 5.007 0.826 117 2HD1 ILE 17 HD12 ILE 17 2.212 5.058 2.292 118 3HD1 ILE 17 HD13 ILE 17 1.899 6.199 0.983 119 H ALA 18 HN ALA 18 -2.131 3.470 3.125 120 HA ALA 18 HA ALA 18 -1.947 1.046 4.671 121 1HB ALA 18 HB1 ALA 18 -2.037 2.727 6.171 122 2HB ALA 18 HB2 ALA 18 -3.779 2.519 5.995 123 3HB ALA 18 HB3 ALA 18 -2.946 3.785 5.092 124 H ASP 19 HN ASP 19 -4.425 2.716 2.779 125 HA ASP 19 HA ASP 19 -6.658 1.239 3.482 126 1HB ASP 19 HB2 ASP 19 -6.192 3.238 1.717 127 2HB ASP 19 HB1 ASP 19 -6.409 1.889 0.606 128 H LEU 20 HN LEU 20 -4.191 0.506 1.050 129 HA LEU 20 HA LEU 20 -5.435 -1.869 0.113 130 1HB LEU 20 HB2 LEU 20 -2.493 -1.279 -0.024 131 2HB LEU 20 HB1 LEU 20 -3.449 -2.265 -1.113 132 HG LEU 20 HG LEU 20 -3.378 0.733 -0.904 133 1HD1 LEU 20 HD11 LEU 20 -2.757 -1.288 -3.033 134 2HD1 LEU 20 HD12 LEU 20 -1.703 -0.058 -2.337 135 3HD1 LEU 20 HD13 LEU 20 -3.026 0.415 -3.403 136 1HD2 LEU 20 HD21 LEU 20 -5.219 0.872 -2.438 137 2HD2 LEU 20 HD22 LEU 20 -5.735 -0.052 -1.027 138 3HD2 LEU 20 HD23 LEU 20 -5.335 -0.885 -2.529 139 H GLN 21 HN GLN 21 -2.662 -1.332 2.280 140 HA GLN 21 HA GLN 21 -2.066 -3.955 2.889 141 1HB GLN 21 HB2 GLN 21 -0.802 -1.883 3.590 142 2HB GLN 21 HB1 GLN 21 -1.972 -1.698 4.889 143 1HG GLN 21 HG2 GLN 21 -1.303 -4.134 5.484 144 2HG GLN 21 HG1 GLN 21 0.128 -3.784 4.516 145 1HE2 GLN 21 HE21 GLN 21 0.851 -4.334 6.872 146 2HE2 GLN 21 HE22 GLN 21 1.155 -2.957 7.869 147 H ALA 22 HN ALA 22 -4.640 -1.937 4.147 148 HA ALA 22 HA ALA 22 -5.377 -3.683 6.280 149 1HB ALA 22 HB1 ALA 22 -6.097 -1.518 6.632 150 2HB ALA 22 HB2 ALA 22 -7.575 -2.304 6.080 151 3HB ALA 22 HB3 ALA 22 -6.635 -1.313 4.965 152 H LYS 23 HN LYS 23 -6.261 -3.394 2.904 153 HA LYS 23 HA LYS 23 -8.553 -5.075 3.026 154 1HB LYS 23 HB2 LYS 23 -6.827 -4.013 0.820 155 2HB LYS 23 HB1 LYS 23 -8.015 -5.261 0.475 156 1HG LYS 23 HG2 LYS 23 -9.750 -3.849 0.663 157 2HG LYS 23 HG1 LYS 23 -9.029 -2.981 2.020 158 1HD LYS 23 HD2 LYS 23 -8.743 -1.322 0.532 159 2HD LYS 23 HD1 LYS 23 -7.369 -2.279 -0.023 160 1HE LYS 23 HE2 LYS 23 -8.391 -2.103 -2.023 161 2HE LYS 23 HE1 LYS 23 -9.355 -3.449 -1.415 162 1HZ LYS 23 HZ1 LYS 23 -10.101 -0.668 -1.827 163 2HZ LYS 23 HZ2 LYS 23 -10.731 -1.405 -0.441 164 3HZ LYS 23 HZ3 LYS 23 -11.034 -2.072 -1.965 165 H ARG 24 HN ARG 24 -5.126 -5.642 2.570 166 HA ARG 24 HA ARG 24 -5.361 -8.320 1.632 167 1HB ARG 24 HB2 ARG 24 -3.237 -6.474 2.309 168 2HB ARG 24 HB1 ARG 24 -2.883 -8.085 2.919 169 1HG ARG 24 HG2 ARG 24 -3.606 -8.797 0.491 170 2HG ARG 24 HG1 ARG 24 -3.158 -7.131 0.123 171 1HD ARG 24 HD2 ARG 24 -1.022 -7.723 0.083 172 2HD ARG 24 HD1 ARG 24 -1.131 -8.210 1.773 173 HE ARG 24 HE ARG 24 -2.021 -10.134 -0.221 174 1HH1 ARG 24 HH11 ARG 24 0.515 -9.084 1.942 175 2HH1 ARG 24 HH12 ARG 24 1.311 -10.621 1.950 176 1HH2 ARG 24 HH21 ARG 24 -0.972 -12.150 -0.209 177 2HH2 ARG 24 HH22 ARG 24 0.470 -12.360 0.729 178 H THR 25 HN THR 25 -4.700 -6.922 4.835 179 HA THR 25 HA THR 25 -4.371 -9.325 6.227 180 HB THR 25 HB THR 25 -5.693 -7.120 7.676 181 HG1 THR 25 HG1 THR 25 -4.379 -5.608 7.084 182 1HG2 THR 25 HG21 THR 25 -3.654 -7.355 9.108 183 2HG2 THR 25 HG22 THR 25 -3.179 -8.707 8.082 184 3HG2 THR 25 HG23 THR 25 -4.679 -8.786 9.006 185 H ARG 26 HN ARG 26 -7.279 -7.277 5.970 186 HA ARG 26 HA ARG 26 -9.037 -8.840 7.405 187 1HB ARG 26 HB2 ARG 26 -10.833 -7.799 6.115 188 2HB ARG 26 HB1 ARG 26 -9.605 -6.617 6.540 189 1HG ARG 26 HG2 ARG 26 -8.680 -6.746 4.295 190 2HG ARG 26 HG1 ARG 26 -9.880 -7.966 3.861 191 1HD ARG 26 HD2 ARG 26 -10.455 -5.673 3.095 192 2HD ARG 26 HD1 ARG 26 -11.668 -6.400 4.147 193 HE ARG 26 HE ARG 26 -9.756 -4.764 5.538 194 1HH1 ARG 26 HH11 ARG 26 -12.776 -4.781 3.788 195 2HH1 ARG 26 HH12 ARG 26 -13.356 -3.326 4.527 196 1HH2 ARG 26 HH21 ARG 26 -10.517 -2.851 6.511 197 2HH2 ARG 26 HH22 ARG 26 -12.074 -2.230 6.073 198 H LEU 27 HN LEU 27 -8.134 -9.108 4.000 199 HA LEU 27 HA LEU 27 -9.879 -11.218 3.343 200 1HB LEU 27 HB2 LEU 27 -7.323 -10.174 2.181 201 2HB LEU 27 HB1 LEU 27 -8.004 -11.673 1.577 202 HG LEU 27 HG LEU 27 -9.502 -9.055 1.632 203 1HD1 LEU 27 HD11 LEU 27 -7.977 -10.366 -0.612 204 2HD1 LEU 27 HD12 LEU 27 -7.614 -8.819 0.154 205 3HD1 LEU 27 HD13 LEU 27 -9.083 -9.007 -0.802 206 1HD2 LEU 27 HD21 LEU 27 -11.245 -10.134 0.696 207 2HD2 LEU 27 HD22 LEU 27 -10.531 -11.541 1.484 208 3HD2 LEU 27 HD23 LEU 27 -10.213 -11.230 -0.223 209 H VAL 28 HN VAL 28 -6.642 -11.126 4.733 210 HA VAL 28 HA VAL 28 -6.118 -13.904 4.568 211 HB VAL 28 HB VAL 28 -5.061 -12.014 6.662 212 1HG1 VAL 28 HG11 VAL 28 -4.632 -14.379 7.089 213 2HG1 VAL 28 HG12 VAL 28 -3.141 -13.521 6.705 214 3HG1 VAL 28 HG13 VAL 28 -3.909 -14.541 5.489 215 1HG2 VAL 28 HG21 VAL 28 -4.738 -11.864 3.850 216 2HG2 VAL 28 HG22 VAL 28 -3.207 -12.402 4.538 217 3HG2 VAL 28 HG23 VAL 28 -3.946 -10.901 5.096 218 H GLN 29 HN GLN 29 -7.499 -11.854 7.100 219 HA GLN 29 HA GLN 29 -7.790 -13.701 9.134 220 1HB GLN 29 HB2 GLN 29 -9.633 -11.447 8.319 221 2HB GLN 29 HB1 GLN 29 -9.792 -12.342 9.824 222 1HG GLN 29 HG2 GLN 29 -7.913 -11.408 10.742 223 2HG GLN 29 HG1 GLN 29 -7.181 -11.073 9.174 224 1HE2 GLN 29 HE21 GLN 29 -6.745 -8.942 9.760 225 2HE2 GLN 29 HE22 GLN 29 -7.986 -7.745 9.850 226 H GLN 30 HN GLN 30 -9.558 -13.354 6.161 227 HA GLN 30 HA GLN 30 -11.716 -15.091 6.885 228 1HB GLN 30 HB2 GLN 30 -10.805 -13.702 4.425 229 2HB GLN 30 HB1 GLN 30 -11.803 -15.131 4.203 230 1HG GLN 30 HG2 GLN 30 -13.651 -14.055 4.805 231 2HG GLN 30 HG1 GLN 30 -12.876 -13.345 6.219 232 1HE2 GLN 30 HE21 GLN 30 -14.587 -12.459 3.744 233 2HE2 GLN 30 HE22 GLN 30 -13.842 -10.963 3.304 234 H HIS 31 HN HIS 31 -8.571 -15.451 5.368 235 HA HIS 31 HA HIS 31 -8.912 -18.359 5.538 236 1HB HIS 31 HB2 HIS 31 -7.927 -18.744 3.374 237 2HB HIS 31 HB1 HIS 31 -9.301 -17.662 3.180 238 HD1 HIS 31 HD1 HIS 31 -8.424 -14.973 3.299 239 HD2 HIS 31 HD2 HIS 31 -5.809 -17.893 1.937 240 HE1 HIS 31 HE1 HIS 31 -6.702 -13.755 1.941 241 HE2 HIS 31 HE2 HIS 31 -5.005 -15.516 1.343 242 HA PRO 32 HA PRO 32 -4.873 -16.776 7.316 243 1HB PRO 32 HB2 PRO 32 -5.212 -17.741 9.820 244 2HB PRO 32 HB1 PRO 32 -5.819 -16.158 9.323 245 1HG PRO 32 HG2 PRO 32 -7.284 -18.756 9.571 246 2HG PRO 32 HG1 PRO 32 -7.792 -17.134 10.076 247 1HD PRO 32 HD2 PRO 32 -8.650 -18.299 7.777 248 2HD PRO 32 HD1 PRO 32 -8.450 -16.544 7.951 249 H ARG 33 HN ARG 33 -3.194 -18.149 8.479 250 HA ARG 33 HA ARG 33 -1.859 -19.990 8.510 251 1HB ARG 33 HB2 ARG 33 -4.355 -21.665 8.307 252 2HB ARG 33 HB1 ARG 33 -2.828 -22.077 9.076 253 1HG ARG 33 HG2 ARG 33 -3.647 -21.387 11.009 254 2HG ARG 33 HG1 ARG 33 -3.767 -19.752 10.354 255 1HD ARG 33 HD2 ARG 33 -5.926 -20.318 11.143 256 2HD ARG 33 HD1 ARG 33 -5.991 -20.428 9.384 257 HE ARG 33 HE ARG 33 -6.405 -22.669 9.574 258 1HH1 ARG 33 HH11 ARG 33 -5.195 -21.488 12.626 259 2HH1 ARG 33 HH12 ARG 33 -5.506 -22.970 13.466 260 1HH2 ARG 33 HH21 ARG 33 -6.817 -24.620 10.677 261 2HH2 ARG 33 HH22 ARG 33 -6.427 -24.748 12.360 262 H CYS 1 HN CYS 1 -14.955 -25.071 -4.198 263 HA CYS 1 HA CYS 1 -13.451 -24.726 -6.064 264 1HB CYS 1 HB2 CYS 1 -15.990 -23.639 -7.246 265 2HB CYS 1 HB1 CYS 1 -14.426 -23.153 -7.891 266 HG CYS 1 HG CYS 1 -15.642 -25.371 -9.009 267 H GLY 2 HN GLY 2 -13.936 -23.477 -3.550 268 1HA GLY 2 HA2 GLY 2 -12.932 -20.791 -4.195 269 2HA GLY 2 HA1 GLY 2 -14.274 -20.949 -3.071 270 H GLY 3 HN GLY 3 -11.168 -22.650 -3.522 271 1HA GLY 3 HA2 GLY 3 -10.802 -22.779 -0.653 272 2HA GLY 3 HA1 GLY 3 -9.733 -23.452 -1.875 273 H ASP 4 HN ASP 4 -8.341 -21.927 -3.047 274 HA ASP 4 HA ASP 4 -7.330 -19.894 -1.213 275 1HB ASP 4 HB2 ASP 4 -6.162 -21.013 -3.762 276 2HB ASP 4 HB1 ASP 4 -5.363 -19.858 -2.700 277 H ASN 5 HN ASN 5 -9.721 -19.714 -3.189 278 HA ASN 5 HA ASN 5 -9.205 -17.897 -5.213 279 1HB ASN 5 HB2 ASN 5 -11.405 -19.089 -4.663 280 2HB ASN 5 HB1 ASN 5 -11.694 -17.789 -3.511 281 1HD2 ASN 5 HD21 ASN 5 -10.403 -17.932 -6.814 282 2HD2 ASN 5 HD22 ASN 5 -11.486 -16.756 -7.469 283 H ILE 6 HN ILE 6 -9.405 -17.459 -1.788 284 HA ILE 6 HA ILE 6 -9.540 -14.586 -1.867 285 HB ILE 6 HB ILE 6 -8.740 -16.307 0.472 286 1HG1 ILE 6 HG12 ILE 6 -11.488 -15.507 0.603 287 2HG1 ILE 6 HG11 ILE 6 -11.218 -16.338 -0.926 288 1HG2 ILE 6 HG21 ILE 6 -8.379 -13.859 0.617 289 2HG2 ILE 6 HG22 ILE 6 -9.514 -14.481 1.817 290 3HG2 ILE 6 HG23 ILE 6 -10.112 -13.628 0.393 291 1HD1 ILE 6 HD11 ILE 6 -11.885 -17.975 0.626 292 2HD1 ILE 6 HD12 ILE 6 -10.764 -17.380 1.849 293 3HD1 ILE 6 HD13 ILE 6 -10.148 -18.185 0.406 294 H GLU 7 HN GLU 7 -7.095 -17.042 -1.177 295 HA GLU 7 HA GLU 7 -4.959 -15.389 -0.520 296 1HB GLU 7 HB2 GLU 7 -5.300 -18.070 -0.710 297 2HB GLU 7 HB1 GLU 7 -4.311 -17.779 -2.135 298 1HG GLU 7 HG2 GLU 7 -2.542 -16.897 -0.848 299 2HG GLU 7 HG1 GLU 7 -3.552 -16.782 0.593 300 H GLN 8 HN GLN 8 -6.337 -16.182 -3.617 301 HA GLN 8 HA GLN 8 -4.142 -15.137 -5.151 302 1HB GLN 8 HB2 GLN 8 -5.646 -16.893 -6.031 303 2HB GLN 8 HB1 GLN 8 -6.981 -15.749 -5.993 304 1HG GLN 8 HG2 GLN 8 -6.452 -15.355 -8.120 305 2HG GLN 8 HG1 GLN 8 -5.130 -14.392 -7.460 306 1HE2 GLN 8 HE21 GLN 8 -5.918 -17.730 -8.351 307 2HE2 GLN 8 HE22 GLN 8 -4.358 -18.111 -8.988 308 H LYS 9 HN LYS 9 -7.290 -14.009 -4.062 309 HA LYS 9 HA LYS 9 -7.341 -11.581 -5.482 310 1HB LYS 9 HB2 LYS 9 -9.077 -12.906 -3.827 311 2HB LYS 9 HB1 LYS 9 -8.607 -11.536 -2.830 312 1HG LYS 9 HG2 LYS 9 -9.177 -10.081 -4.835 313 2HG LYS 9 HG1 LYS 9 -9.952 -11.516 -5.510 314 1HD LYS 9 HD2 LYS 9 -10.904 -11.370 -2.900 315 2HD LYS 9 HD1 LYS 9 -10.890 -9.697 -3.461 316 1HE LYS 9 HE2 LYS 9 -11.995 -10.739 -5.601 317 2HE LYS 9 HE1 LYS 9 -12.428 -12.036 -4.489 318 1HZ LYS 9 HZ1 LYS 9 -14.217 -10.674 -4.244 319 2HZ LYS 9 HZ2 LYS 9 -13.344 -9.257 -4.550 320 3HZ LYS 9 HZ3 LYS 9 -13.223 -10.016 -3.042 321 H ILE 10 HN ILE 10 -5.979 -12.480 -2.361 322 HA ILE 10 HA ILE 10 -5.313 -9.821 -1.580 323 HB ILE 10 HB ILE 10 -3.755 -10.937 0.032 324 1HG1 ILE 10 HG12 ILE 10 -5.041 -13.489 -0.946 325 2HG1 ILE 10 HG11 ILE 10 -3.402 -12.991 -1.355 326 1HG2 ILE 10 HG21 ILE 10 -5.950 -10.303 0.732 327 2HG2 ILE 10 HG22 ILE 10 -5.599 -11.898 1.399 328 3HG2 ILE 10 HG23 ILE 10 -6.653 -11.743 -0.006 329 1HD1 ILE 10 HD11 ILE 10 -3.352 -14.586 0.438 330 2HD1 ILE 10 HD12 ILE 10 -4.454 -13.595 1.393 331 3HD1 ILE 10 HD13 ILE 10 -2.830 -13.010 1.033 332 H ASP 11 HN ASP 11 -3.502 -12.453 -3.134 333 HA ASP 11 HA ASP 11 -0.967 -11.359 -3.141 334 1HB ASP 11 HB2 ASP 11 -2.438 -13.216 -4.943 335 2HB ASP 11 HB1 ASP 11 -0.941 -12.521 -5.558 336 H ASP 12 HN ASP 12 -3.745 -10.584 -5.096 337 HA ASP 12 HA ASP 12 -2.407 -8.928 -6.986 338 1HB ASP 12 HB2 ASP 12 -4.751 -9.932 -7.196 339 2HB ASP 12 HB1 ASP 12 -5.290 -8.641 -6.127 340 H ILE 13 HN ILE 13 -4.163 -8.317 -3.982 341 HA ILE 13 HA ILE 13 -3.889 -5.525 -3.947 342 HB ILE 13 HB ILE 13 -3.988 -7.344 -1.538 343 1HG1 ILE 13 HG12 ILE 13 -6.223 -6.224 -3.240 344 2HG1 ILE 13 HG11 ILE 13 -5.820 -7.921 -3.002 345 1HG2 ILE 13 HG21 ILE 13 -3.630 -4.620 -1.666 346 2HG2 ILE 13 HG22 ILE 13 -4.244 -5.515 -0.277 347 3HG2 ILE 13 HG23 ILE 13 -5.368 -4.780 -1.419 348 1HD1 ILE 13 HD11 ILE 13 -7.628 -7.658 -1.616 349 2HD1 ILE 13 HD12 ILE 13 -7.172 -6.019 -1.153 350 3HD1 ILE 13 HD13 ILE 13 -6.288 -7.399 -0.500 351 H ASP 14 HN ASP 14 -1.876 -8.095 -2.536 352 HA ASP 14 HA ASP 14 0.003 -6.615 -1.190 353 1HB ASP 14 HB2 ASP 14 -0.236 -9.205 -1.581 354 2HB ASP 14 HB1 ASP 14 0.926 -8.913 -2.871 355 H HIS 15 HN HIS 15 -0.313 -7.088 -4.647 356 HA HIS 15 HA HIS 15 2.230 -5.939 -5.298 357 1HB HIS 15 HB2 HIS 15 0.866 -7.551 -6.737 358 2HB HIS 15 HB1 HIS 15 -0.148 -6.169 -7.138 359 HD1 HIS 15 HD1 HIS 15 3.071 -4.770 -6.898 360 HD2 HIS 15 HD2 HIS 15 1.184 -7.162 -9.725 361 HE1 HIS 15 HE1 HIS 15 4.377 -4.458 -9.025 362 HE2 HIS 15 HE2 HIS 15 3.167 -5.849 -10.741 363 H GLU 16 HN GLU 16 -0.992 -4.771 -4.740 364 HA GLU 16 HA GLU 16 -0.449 -2.168 -5.874 365 1HB GLU 16 HB2 GLU 16 -2.827 -2.896 -4.181 366 2HB GLU 16 HB1 GLU 16 -2.706 -1.640 -5.407 367 1HG GLU 16 HG2 GLU 16 -2.379 -4.515 -6.152 368 2HG GLU 16 HG1 GLU 16 -3.985 -3.824 -5.929 369 H ILE 17 HN ILE 17 -0.592 -3.676 -2.722 370 HA ILE 17 HA ILE 17 -0.595 -1.350 -1.136 371 HB ILE 17 HB ILE 17 0.662 -3.998 -0.410 372 1HG1 ILE 17 HG12 ILE 17 -2.149 -3.281 0.302 373 2HG1 ILE 17 HG11 ILE 17 -1.821 -3.908 -1.308 374 1HG2 ILE 17 HG21 ILE 17 -0.531 -2.996 1.828 375 2HG2 ILE 17 HG22 ILE 17 0.043 -1.529 1.036 376 3HG2 ILE 17 HG23 ILE 17 1.178 -2.820 1.426 377 1HD1 ILE 17 HD11 ILE 17 -1.740 -5.974 -0.534 378 2HD1 ILE 17 HD12 ILE 17 -2.245 -5.354 1.036 379 3HD1 ILE 17 HD13 ILE 17 -0.529 -5.531 0.669 380 H ALA 18 HN ALA 18 1.947 -3.174 -2.705 381 HA ALA 18 HA ALA 18 4.096 -1.782 -1.395 382 1HB ALA 18 HB1 ALA 18 5.243 -2.963 -3.565 383 2HB ALA 18 HB2 ALA 18 3.820 -3.978 -3.318 384 3HB ALA 18 HB3 ALA 18 4.981 -3.751 -2.008 385 H ASP 19 HN ASP 19 2.456 -1.604 -4.518 386 HA ASP 19 HA ASP 19 4.151 0.116 -5.872 387 1HB ASP 19 HB2 ASP 19 1.251 -0.508 -6.005 388 2HB ASP 19 HB1 ASP 19 1.781 0.967 -6.809 389 H LEU 20 HN LEU 20 1.640 0.874 -3.503 390 HA LEU 20 HA LEU 20 1.843 3.700 -3.810 391 1HB LEU 20 HB2 LEU 20 0.825 2.260 -1.376 392 2HB LEU 20 HB1 LEU 20 0.398 3.866 -1.934 393 HG LEU 20 HG LEU 20 -0.431 1.224 -3.106 394 1HD1 LEU 20 HD11 LEU 20 -2.693 2.272 -2.798 395 2HD1 LEU 20 HD12 LEU 20 -1.889 3.554 -1.893 396 3HD1 LEU 20 HD13 LEU 20 -1.823 1.891 -1.313 397 1HD2 LEU 20 HD21 LEU 20 0.254 2.822 -4.897 398 2HD2 LEU 20 HD22 LEU 20 -0.970 3.940 -4.292 399 3HD2 LEU 20 HD23 LEU 20 -1.450 2.370 -4.939 400 H GLN 21 HN GLN 21 2.922 1.511 -1.208 401 HA GLN 21 HA GLN 21 4.236 3.318 0.384 402 1HB GLN 21 HB2 GLN 21 3.911 0.670 0.498 403 2HB GLN 21 HB1 GLN 21 5.583 0.703 -0.047 404 1HG GLN 21 HG2 GLN 21 6.260 1.944 1.874 405 2HG GLN 21 HG1 GLN 21 4.586 2.180 2.374 406 1HE2 GLN 21 HE21 GLN 21 6.810 0.973 3.817 407 2HE2 GLN 21 HE22 GLN 21 6.307 -0.630 4.223 408 H ALA 22 HN ALA 22 5.569 1.569 -2.395 409 HA ALA 22 HA ALA 22 8.178 2.569 -2.252 410 1HB ALA 22 HB1 ALA 22 7.094 2.100 -4.952 411 2HB ALA 22 HB2 ALA 22 6.950 0.757 -3.819 412 3HB ALA 22 HB3 ALA 22 8.535 1.445 -4.175 413 H LYS 23 HN LYS 23 5.264 3.890 -3.703 414 HA LYS 23 HA LYS 23 6.520 6.004 -5.112 415 1HB LYS 23 HB2 LYS 23 3.861 5.045 -4.689 416 2HB LYS 23 HB1 LYS 23 3.885 6.775 -4.382 417 1HG LYS 23 HG2 LYS 23 3.537 6.900 -6.595 418 2HG LYS 23 HG1 LYS 23 5.287 6.691 -6.675 419 1HD LYS 23 HD2 LYS 23 4.773 4.990 -8.060 420 2HD LYS 23 HD1 LYS 23 4.479 4.111 -6.559 421 1HE LYS 23 HE2 LYS 23 2.535 3.695 -7.725 422 2HE LYS 23 HE1 LYS 23 2.080 5.106 -6.772 423 1HZ LYS 23 HZ1 LYS 23 1.354 5.444 -8.996 424 2HZ LYS 23 HZ2 LYS 23 2.873 5.059 -9.630 425 3HZ LYS 23 HZ3 LYS 23 2.666 6.481 -8.737 426 H ARG 24 HN ARG 24 5.279 5.668 -1.847 427 HA ARG 24 HA ARG 24 5.497 8.452 -1.203 428 1HB ARG 24 HB2 ARG 24 4.099 6.505 -0.079 429 2HB ARG 24 HB1 ARG 24 5.542 6.356 0.920 430 1HG ARG 24 HG2 ARG 24 5.285 8.920 1.208 431 2HG ARG 24 HG1 ARG 24 3.625 8.628 0.693 432 1HD ARG 24 HD2 ARG 24 3.291 7.082 2.517 433 2HD ARG 24 HD1 ARG 24 4.985 7.227 2.988 434 HE ARG 24 HE ARG 24 3.515 9.711 2.959 435 1HH1 ARG 24 HH11 ARG 24 4.494 6.958 4.867 436 2HH1 ARG 24 HH12 ARG 24 4.321 7.788 6.377 437 1HH2 ARG 24 HH21 ARG 24 3.291 10.801 4.932 438 2HH2 ARG 24 HH22 ARG 24 3.635 9.974 6.415 439 H THR 25 HN THR 25 7.512 5.590 -0.638 440 HA THR 25 HA THR 25 9.441 6.815 0.993 441 HB THR 25 HB THR 25 10.354 4.717 -0.884 442 HG1 THR 25 HG1 THR 25 8.376 4.189 1.077 443 1HG2 THR 25 HG21 THR 25 10.624 3.753 1.650 444 2HG2 THR 25 HG22 THR 25 10.803 5.492 1.886 445 3HG2 THR 25 HG23 THR 25 11.855 4.641 0.754 446 H ARG 26 HN ARG 26 9.567 6.128 -2.507 447 HA ARG 26 HA ARG 26 11.981 7.326 -3.083 448 1HB ARG 26 HB2 ARG 26 10.961 7.778 -5.374 449 2HB ARG 26 HB1 ARG 26 10.949 6.111 -4.818 450 1HG ARG 26 HG2 ARG 26 8.783 6.057 -5.255 451 2HG ARG 26 HG1 ARG 26 8.541 7.187 -3.922 452 1HD ARG 26 HD2 ARG 26 7.564 8.388 -5.586 453 2HD ARG 26 HD1 ARG 26 9.222 8.943 -5.790 454 HE ARG 26 HE ARG 26 7.798 7.039 -7.503 455 1HH1 ARG 26 HH11 ARG 26 10.647 8.971 -6.881 456 2HH1 ARG 26 HH12 ARG 26 11.277 8.771 -8.479 457 1HH2 ARG 26 HH21 ARG 26 8.634 6.783 -9.599 458 2HH2 ARG 26 HH22 ARG 26 10.138 7.532 -10.021 459 H LEU 27 HN LEU 27 8.788 8.818 -2.812 460 HA LEU 27 HA LEU 27 9.550 11.418 -3.586 461 1HB LEU 27 HB2 LEU 27 7.236 10.145 -2.350 462 2HB LEU 27 HB1 LEU 27 7.520 11.759 -1.724 463 HG LEU 27 HG LEU 27 7.481 12.633 -4.046 464 1HD1 LEU 27 HD11 LEU 27 6.773 11.272 -5.871 465 2HD1 LEU 27 HD12 LEU 27 6.511 9.888 -4.810 466 3HD1 LEU 27 HD13 LEU 27 8.148 10.471 -5.108 467 1HD2 LEU 27 HD21 LEU 27 5.063 11.104 -3.101 468 2HD2 LEU 27 HD22 LEU 27 5.038 12.314 -4.384 469 3HD2 LEU 27 HD23 LEU 27 5.477 12.779 -2.740 470 H VAL 28 HN VAL 28 9.605 9.712 -0.505 471 HA VAL 28 HA VAL 28 10.255 11.924 1.129 472 HB VAL 28 HB VAL 28 11.052 9.052 1.579 473 1HG1 VAL 28 HG11 VAL 28 11.242 9.593 3.872 474 2HG1 VAL 28 HG12 VAL 28 10.485 11.169 3.638 475 3HG1 VAL 28 HG13 VAL 28 12.100 10.861 2.999 476 1HG2 VAL 28 HG21 VAL 28 8.779 9.710 3.109 477 2HG2 VAL 28 HG22 VAL 28 8.896 8.551 1.786 478 3HG2 VAL 28 HG23 VAL 28 8.445 10.224 1.456 479 H GLN 29 HN GLN 29 12.246 9.502 -0.517 480 HA GLN 29 HA GLN 29 14.755 10.266 0.366 481 1HB GLN 29 HB2 GLN 29 13.689 8.655 -1.745 482 2HB GLN 29 HB1 GLN 29 14.978 9.651 -2.405 483 1HG GLN 29 HG2 GLN 29 16.086 7.743 -1.731 484 2HG GLN 29 HG1 GLN 29 16.343 8.845 -0.379 485 1HE2 GLN 29 HE21 GLN 29 14.803 5.950 -1.466 486 2HE2 GLN 29 HE22 GLN 29 14.251 5.410 0.080 487 H GLN 30 HN GLN 30 12.599 11.813 -1.866 488 HA GLN 30 HA GLN 30 14.545 13.597 -2.985 489 1HB GLN 30 HB2 GLN 30 12.160 12.817 -3.866 490 2HB GLN 30 HB1 GLN 30 11.637 14.255 -2.998 491 1HG GLN 30 HG2 GLN 30 12.713 15.681 -4.422 492 2HG GLN 30 HG1 GLN 30 13.926 14.487 -4.879 493 1HE2 GLN 30 HE21 GLN 30 13.769 14.144 -6.974 494 2HE2 GLN 30 HE22 GLN 30 12.307 13.883 -7.856 495 H HIS 31 HN HIS 31 12.351 13.613 -0.255 496 HA HIS 31 HA HIS 31 13.579 16.125 0.620 497 1HB HIS 31 HB2 HIS 31 11.478 17.094 1.294 498 2HB HIS 31 HB1 HIS 31 11.384 16.671 -0.411 499 HD1 HIS 31 HD1 HIS 31 10.192 14.206 -0.807 500 HD2 HIS 31 HD2 HIS 31 9.351 16.221 2.721 501 HE1 HIS 31 HE1 HIS 31 8.049 13.216 0.039 502 HE2 HIS 31 HE2 HIS 31 7.710 14.278 2.296 503 HA PRO 32 HA PRO 32 13.227 12.880 3.972 504 1HB PRO 32 HB2 PRO 32 15.827 12.296 4.291 505 2HB PRO 32 HB1 PRO 32 14.849 11.522 3.038 506 1HG PRO 32 HG2 PRO 32 16.792 13.783 2.799 507 2HG PRO 32 HG1 PRO 32 16.547 12.398 1.721 508 1HD PRO 32 HD2 PRO 32 15.522 14.907 1.267 509 2HD PRO 32 HD1 PRO 32 14.822 13.412 0.617 510 H ARG 33 HN ARG 33 15.314 15.648 3.475 511 HA ARG 33 HA ARG 33 15.711 16.005 6.341 512 1HB ARG 33 HB2 ARG 33 16.921 17.125 3.871 513 2HB ARG 33 HB1 ARG 33 16.887 18.173 5.282 514 1HG ARG 33 HG2 ARG 33 18.975 17.046 5.270 515 2HG ARG 33 HG1 ARG 33 18.004 16.349 6.569 516 1HD ARG 33 HD2 ARG 33 17.348 14.757 4.448 517 2HD ARG 33 HD1 ARG 33 19.041 15.122 4.121 518 HE ARG 33 HE ARG 33 18.002 13.462 6.216 519 1HH1 ARG 33 HH11 ARG 33 20.676 15.486 5.251 520 2HH1 ARG 33 HH12 ARG 33 21.811 14.698 6.294 521 1HH2 ARG 33 HH21 ARG 33 19.494 12.424 7.589 522 2HH2 ARG 33 HH22 ARG 33 21.141 12.960 7.622 Start of MODEL 38 1 H CYS 1 HT1 CYS 1 14.030 20.161 2.161 2 HA CYS 1 HA CYS 1 13.460 19.447 4.292 3 1HB CYS 1 HB2 CYS 1 12.133 22.123 4.360 4 2HB CYS 1 HB1 CYS 1 11.441 20.824 5.327 5 HG CYS 1 HG CYS 1 13.781 22.448 6.123 6 H GLY 2 HN GLY 2 11.126 18.696 5.019 7 1HA GLY 2 HA2 GLY 2 9.927 17.570 2.637 8 2HA GLY 2 HA1 GLY 2 9.509 17.186 4.300 9 H GLY 3 HN GLY 3 8.426 19.119 5.487 10 1HA GLY 3 HA2 GLY 3 5.939 19.590 4.424 11 2HA GLY 3 HA1 GLY 3 6.691 20.631 5.624 12 H ASP 4 HN ASP 4 5.910 20.207 2.275 13 HA ASP 4 HA ASP 4 6.191 23.024 1.795 14 1HB ASP 4 HB2 ASP 4 8.502 22.361 1.458 15 2HB ASP 4 HB1 ASP 4 8.005 21.052 0.385 16 H ASN 5 HN ASN 5 6.491 20.362 -0.482 17 HA ASN 5 HA ASN 5 3.707 20.576 -1.290 18 1HB ASN 5 HB2 ASN 5 5.065 22.251 -2.642 19 2HB ASN 5 HB1 ASN 5 5.908 20.872 -3.341 20 1HD2 ASN 5 HD21 ASN 5 2.513 21.550 -2.560 21 2HD2 ASN 5 HD22 ASN 5 1.904 21.193 -4.136 22 H ILE 6 HN ILE 6 6.884 19.137 -1.835 23 HA ILE 6 HA ILE 6 5.992 16.765 -3.086 24 HB ILE 6 HB ILE 6 8.436 16.807 -1.353 25 1HG1 ILE 6 HG12 ILE 6 8.058 18.276 -3.962 26 2HG1 ILE 6 HG11 ILE 6 8.697 18.899 -2.444 27 1HG2 ILE 6 HG21 ILE 6 7.779 14.759 -2.503 28 2HG2 ILE 6 HG22 ILE 6 9.331 15.370 -3.078 29 3HG2 ILE 6 HG23 ILE 6 7.878 15.599 -4.050 30 1HD1 ILE 6 HD11 ILE 6 10.043 17.459 -4.611 31 2HD1 ILE 6 HD12 ILE 6 10.491 16.954 -2.982 32 3HD1 ILE 6 HD13 ILE 6 10.671 18.641 -3.462 33 H GLU 7 HN GLU 7 6.911 17.520 0.237 34 HA GLU 7 HA GLU 7 6.418 15.041 1.401 35 1HB GLU 7 HB2 GLU 7 7.579 16.788 2.600 36 2HB GLU 7 HB1 GLU 7 6.152 17.814 2.575 37 1HG GLU 7 HG2 GLU 7 5.407 15.365 3.773 38 2HG GLU 7 HG1 GLU 7 6.933 15.866 4.498 39 H GLN 8 HN GLN 8 4.197 17.561 0.457 40 HA GLN 8 HA GLN 8 1.965 16.477 1.907 41 1HB GLN 8 HB2 GLN 8 2.358 18.922 1.091 42 2HB GLN 8 HB1 GLN 8 1.696 18.339 -0.429 43 1HG GLN 8 HG2 GLN 8 -0.376 18.459 0.338 44 2HG GLN 8 HG1 GLN 8 0.037 17.534 1.781 45 1HE2 GLN 8 HE21 GLN 8 -1.093 20.422 0.694 46 2HE2 GLN 8 HE22 GLN 8 -0.737 21.408 2.067 47 H LYS 9 HN LYS 9 3.217 16.310 -1.369 48 HA LYS 9 HA LYS 9 1.048 15.072 -2.618 49 1HB LYS 9 HB2 LYS 9 3.375 15.985 -3.521 50 2HB LYS 9 HB1 LYS 9 3.811 14.285 -3.403 51 1HG LYS 9 HG2 LYS 9 2.110 13.656 -4.935 52 2HG LYS 9 HG1 LYS 9 1.391 15.267 -4.892 53 1HD LYS 9 HD2 LYS 9 2.940 16.143 -6.301 54 2HD LYS 9 HD1 LYS 9 4.234 15.109 -5.692 55 1HE LYS 9 HE2 LYS 9 3.759 14.481 -7.958 56 2HE LYS 9 HE1 LYS 9 3.192 13.197 -6.890 57 1HZ LYS 9 HZ1 LYS 9 0.950 14.348 -7.046 58 2HZ LYS 9 HZ2 LYS 9 1.479 13.512 -8.418 59 3HZ LYS 9 HZ3 LYS 9 1.591 15.199 -8.361 60 H ILE 10 HN ILE 10 3.755 13.697 -0.812 61 HA ILE 10 HA ILE 10 3.101 10.988 -1.346 62 HB ILE 10 HB ILE 10 4.488 10.500 0.696 63 1HG1 ILE 10 HG12 ILE 10 5.137 13.447 0.580 64 2HG1 ILE 10 HG11 ILE 10 4.058 12.732 1.774 65 1HG2 ILE 10 HG21 ILE 10 5.805 10.226 -1.103 66 2HG2 ILE 10 HG22 ILE 10 6.566 11.710 -0.529 67 3HG2 ILE 10 HG23 ILE 10 5.348 11.779 -1.803 68 1HD1 ILE 10 HD11 ILE 10 6.293 13.070 2.666 69 2HD1 ILE 10 HD12 ILE 10 6.958 12.039 1.400 70 3HD1 ILE 10 HD13 ILE 10 5.874 11.357 2.613 71 H ASP 11 HN ASP 11 2.312 13.180 1.339 72 HA ASP 11 HA ASP 11 1.115 11.425 3.089 73 1HB ASP 11 HB2 ASP 11 1.435 13.985 3.279 74 2HB ASP 11 HB1 ASP 11 -0.132 14.099 2.483 75 H ASP 12 HN ASP 12 -0.091 12.723 0.085 76 HA ASP 12 HA ASP 12 -2.779 11.834 0.354 77 1HB ASP 12 HB2 ASP 12 -2.039 13.559 -1.290 78 2HB ASP 12 HB1 ASP 12 -1.206 12.296 -2.194 79 H ILE 13 HN ILE 13 0.081 10.506 -1.254 80 HA ILE 13 HA ILE 13 -1.088 8.137 -2.198 81 HB ILE 13 HB ILE 13 1.779 8.491 -1.315 82 1HG1 ILE 13 HG12 ILE 13 0.447 9.146 -3.948 83 2HG1 ILE 13 HG11 ILE 13 1.217 10.278 -2.841 84 1HG2 ILE 13 HG21 ILE 13 1.540 6.853 -3.601 85 2HG2 ILE 13 HG22 ILE 13 0.339 6.294 -2.438 86 3HG2 ILE 13 HG23 ILE 13 2.039 6.386 -1.977 87 1HD1 ILE 13 HD11 ILE 13 2.366 8.973 -5.024 88 2HD1 ILE 13 HD12 ILE 13 3.071 8.227 -3.590 89 3HD1 ILE 13 HD13 ILE 13 3.175 9.973 -3.817 90 H ASP 14 HN ASP 14 0.636 8.845 0.830 91 HA ASP 14 HA ASP 14 0.710 6.362 1.993 92 1HB ASP 14 HB2 ASP 14 1.350 8.842 2.836 93 2HB ASP 14 HB1 ASP 14 -0.112 8.578 3.783 94 H HIS 15 HN HIS 15 -2.040 8.487 1.592 95 HA HIS 15 HA HIS 15 -3.765 7.014 3.347 96 1HB HIS 15 HB2 HIS 15 -3.921 9.500 2.459 97 2HB HIS 15 HB1 HIS 15 -4.822 8.745 1.149 98 HD1 HIS 15 HD1 HIS 15 -5.819 6.643 3.657 99 HD2 HIS 15 HD2 HIS 15 -6.552 10.679 2.991 100 HE1 HIS 15 HE1 HIS 15 -7.913 7.169 4.947 101 HE2 HIS 15 HE2 HIS 15 -8.285 9.636 4.603 102 H GLU 16 HN GLU 16 -2.873 6.897 -0.012 103 HA GLU 16 HA GLU 16 -5.038 5.119 -0.722 104 1HB GLU 16 HB2 GLU 16 -2.622 5.726 -2.410 105 2HB GLU 16 HB1 GLU 16 -4.226 5.235 -2.941 106 1HG GLU 16 HG2 GLU 16 -5.141 7.353 -2.461 107 2HG GLU 16 HG1 GLU 16 -3.718 7.839 -1.537 108 H ILE 17 HN ILE 17 -1.645 4.915 0.088 109 HA ILE 17 HA ILE 17 -1.175 2.269 -0.775 110 HB ILE 17 HB ILE 17 0.194 3.661 1.528 111 1HG1 ILE 17 HG12 ILE 17 1.269 3.698 -1.258 112 2HG1 ILE 17 HG11 ILE 17 0.023 4.859 -0.822 113 1HG2 ILE 17 HG21 ILE 17 2.077 2.198 0.223 114 2HG2 ILE 17 HG22 ILE 17 0.645 1.188 0.021 115 3HG2 ILE 17 HG23 ILE 17 1.178 1.648 1.637 116 1HD1 ILE 17 HD11 ILE 17 2.071 4.801 1.182 117 2HD1 ILE 17 HD12 ILE 17 1.510 6.144 0.186 118 3HD1 ILE 17 HD13 ILE 17 2.772 5.068 -0.413 119 H ALA 18 HN ALA 18 -2.503 3.654 2.152 120 HA ALA 18 HA ALA 18 -2.465 1.185 3.629 121 1HB ALA 18 HB1 ALA 18 -3.272 3.972 4.137 122 2HB ALA 18 HB2 ALA 18 -2.403 2.834 5.166 123 3HB ALA 18 HB3 ALA 18 -4.159 2.739 5.035 124 H ASP 19 HN ASP 19 -4.826 3.028 1.766 125 HA ASP 19 HA ASP 19 -7.167 1.744 2.493 126 1HB ASP 19 HB2 ASP 19 -7.045 3.719 0.997 127 2HB ASP 19 HB1 ASP 19 -6.425 2.685 -0.286 128 H LEU 20 HN LEU 20 -4.783 0.793 0.053 129 HA LEU 20 HA LEU 20 -6.196 -1.512 -0.817 130 1HB LEU 20 HB2 LEU 20 -3.222 -1.195 -1.000 131 2HB LEU 20 HB1 LEU 20 -4.299 -2.039 -2.094 132 HG LEU 20 HG LEU 20 -3.857 0.921 -1.828 133 1HD1 LEU 20 HD11 LEU 20 -3.465 -1.160 -3.930 134 2HD1 LEU 20 HD12 LEU 20 -2.357 0.087 -3.360 135 3HD1 LEU 20 HD13 LEU 20 -3.718 0.524 -4.392 136 1HD2 LEU 20 HD21 LEU 20 -6.307 0.421 -1.895 137 2HD2 LEU 20 HD22 LEU 20 -6.045 -0.370 -3.449 138 3HD2 LEU 20 HD23 LEU 20 -5.711 1.353 -3.268 139 H GLN 21 HN GLN 21 -3.448 -1.055 1.387 140 HA GLN 21 HA GLN 21 -2.951 -3.688 2.051 141 1HB GLN 21 HB2 GLN 21 -1.634 -1.656 2.759 142 2HB GLN 21 HB1 GLN 21 -2.844 -1.389 4.007 143 1HG GLN 21 HG2 GLN 21 -2.326 -3.634 4.918 144 2HG GLN 21 HG1 GLN 21 -1.034 -3.777 3.728 145 1HE2 GLN 21 HE21 GLN 21 -2.137 -1.166 5.866 146 2HE2 GLN 21 HE22 GLN 21 -0.597 -0.884 6.597 147 H ALA 22 HN ALA 22 -5.453 -1.536 3.253 148 HA ALA 22 HA ALA 22 -6.333 -3.159 5.391 149 1HB ALA 22 HB1 ALA 22 -7.457 -0.857 3.883 150 2HB ALA 22 HB2 ALA 22 -7.133 -1.030 5.608 151 3HB ALA 22 HB3 ALA 22 -8.544 -1.807 4.893 152 H LYS 23 HN LYS 23 -7.288 -2.939 1.999 153 HA LYS 23 HA LYS 23 -9.472 -4.722 2.146 154 1HB LYS 23 HB2 LYS 23 -7.723 -3.774 -0.108 155 2HB LYS 23 HB1 LYS 23 -8.978 -4.977 -0.375 156 1HG LYS 23 HG2 LYS 23 -10.622 -3.464 -0.272 157 2HG LYS 23 HG1 LYS 23 -9.881 -2.603 1.078 158 1HD LYS 23 HD2 LYS 23 -9.778 -1.046 -0.639 159 2HD LYS 23 HD1 LYS 23 -8.177 -1.786 -0.691 160 1HE LYS 23 HE2 LYS 23 -8.678 -3.021 -2.603 161 2HE LYS 23 HE1 LYS 23 -10.418 -2.847 -2.373 162 1HZ LYS 23 HZ1 LYS 23 -10.082 -1.337 -4.017 163 2HZ LYS 23 HZ2 LYS 23 -8.500 -0.973 -3.541 164 3HZ LYS 23 HZ3 LYS 23 -9.809 -0.325 -2.690 165 H ARG 24 HN ARG 24 -6.027 -5.201 1.746 166 HA ARG 24 HA ARG 24 -6.187 -7.934 0.947 167 1HB ARG 24 HB2 ARG 24 -4.219 -6.600 0.435 168 2HB ARG 24 HB1 ARG 24 -3.912 -6.346 2.147 169 1HG ARG 24 HG2 ARG 24 -2.880 -8.313 2.374 170 2HG ARG 24 HG1 ARG 24 -4.082 -9.162 1.399 171 1HD ARG 24 HD2 ARG 24 -2.874 -7.755 -0.530 172 2HD ARG 24 HD1 ARG 24 -1.528 -7.896 0.601 173 HE ARG 24 HE ARG 24 -2.684 -9.989 -0.989 174 1HH1 ARG 24 HH11 ARG 24 -0.879 -9.271 1.910 175 2HH1 ARG 24 HH12 ARG 24 -0.148 -10.838 1.992 176 1HH2 ARG 24 HH21 ARG 24 -1.724 -12.051 -0.883 177 2HH2 ARG 24 HH22 ARG 24 -0.627 -12.417 0.407 178 H THR 25 HN THR 25 -5.730 -6.282 4.041 179 HA THR 25 HA THR 25 -5.239 -8.603 5.578 180 HB THR 25 HB THR 25 -6.596 -6.349 6.915 181 HG1 THR 25 HG1 THR 25 -4.172 -6.023 5.490 182 1HG2 THR 25 HG21 THR 25 -5.474 -7.199 8.612 183 2HG2 THR 25 HG22 THR 25 -3.975 -6.683 7.841 184 3HG2 THR 25 HG23 THR 25 -4.610 -8.301 7.541 185 H ARG 26 HN ARG 26 -8.215 -6.634 5.299 186 HA ARG 26 HA ARG 26 -9.887 -8.182 6.833 187 1HB ARG 26 HB2 ARG 26 -11.750 -7.253 5.579 188 2HB ARG 26 HB1 ARG 26 -10.535 -6.016 5.859 189 1HG ARG 26 HG2 ARG 26 -10.622 -5.566 3.695 190 2HG ARG 26 HG1 ARG 26 -9.851 -7.124 3.406 191 1HD ARG 26 HD2 ARG 26 -11.859 -6.947 2.072 192 2HD ARG 26 HD1 ARG 26 -12.075 -8.180 3.314 193 HE ARG 26 HE ARG 26 -13.036 -5.579 4.079 194 1HH1 ARG 26 HH11 ARG 26 -13.835 -8.566 2.460 195 2HH1 ARG 26 HH12 ARG 26 -15.541 -8.378 2.691 196 1HH2 ARG 26 HH21 ARG 26 -15.278 -5.331 4.382 197 2HH2 ARG 26 HH22 ARG 26 -16.361 -6.542 3.781 198 H LEU 27 HN LEU 27 -8.867 -8.708 3.509 199 HA LEU 27 HA LEU 27 -10.631 -10.863 2.971 200 1HB LEU 27 HB2 LEU 27 -8.135 -9.796 1.737 201 2HB LEU 27 HB1 LEU 27 -8.641 -11.417 1.304 202 HG LEU 27 HG LEU 27 -10.402 -8.986 1.016 203 1HD1 LEU 27 HD11 LEU 27 -9.877 -9.010 -1.331 204 2HD1 LEU 27 HD12 LEU 27 -8.820 -10.406 -1.119 205 3HD1 LEU 27 HD13 LEU 27 -8.382 -8.853 -0.408 206 1HD2 LEU 27 HD21 LEU 27 -11.658 -11.030 1.202 207 2HD2 LEU 27 HD22 LEU 27 -10.625 -11.819 0.010 208 3HD2 LEU 27 HD23 LEU 27 -11.681 -10.493 -0.479 209 H VAL 28 HN VAL 28 -7.392 -10.603 4.328 210 HA VAL 28 HA VAL 28 -6.815 -13.367 4.428 211 HB VAL 28 HB VAL 28 -5.815 -11.261 6.338 212 1HG1 VAL 28 HG11 VAL 28 -5.319 -13.528 7.037 213 2HG1 VAL 28 HG12 VAL 28 -3.842 -12.728 6.495 214 3HG1 VAL 28 HG13 VAL 28 -4.649 -13.896 5.448 215 1HG2 VAL 28 HG21 VAL 28 -3.949 -11.844 4.255 216 2HG2 VAL 28 HG22 VAL 28 -4.677 -10.298 4.691 217 3HG2 VAL 28 HG23 VAL 28 -5.485 -11.357 3.535 218 H GLN 29 HN GLN 29 -8.273 -11.127 6.740 219 HA GLN 29 HA GLN 29 -8.543 -12.809 8.929 220 1HB GLN 29 HB2 GLN 29 -9.896 -10.375 7.952 221 2HB GLN 29 HB1 GLN 29 -10.844 -11.353 9.064 222 1HG GLN 29 HG2 GLN 29 -9.672 -9.695 10.314 223 2HG GLN 29 HG1 GLN 29 -8.963 -11.269 10.670 224 1HE2 GLN 29 HE21 GLN 29 -8.007 -8.356 10.627 225 2HE2 GLN 29 HE22 GLN 29 -6.496 -8.445 9.795 226 H GLN 30 HN GLN 30 -10.301 -12.689 5.933 227 HA GLN 30 HA GLN 30 -12.462 -14.367 6.785 228 1HB GLN 30 HB2 GLN 30 -11.518 -13.693 3.992 229 2HB GLN 30 HB1 GLN 30 -13.054 -14.443 4.406 230 1HG GLN 30 HG2 GLN 30 -12.985 -12.127 5.931 231 2HG GLN 30 HG1 GLN 30 -12.305 -11.656 4.374 232 1HE2 GLN 30 HE21 GLN 30 -13.590 -12.580 2.464 233 2HE2 GLN 30 HE22 GLN 30 -15.307 -12.412 2.567 234 H HIS 31 HN HIS 31 -9.285 -14.839 5.401 235 HA HIS 31 HA HIS 31 -9.634 -17.725 5.736 236 1HB HIS 31 HB2 HIS 31 -8.654 -18.260 3.595 237 2HB HIS 31 HB1 HIS 31 -10.047 -17.216 3.339 238 HD1 HIS 31 HD1 HIS 31 -9.409 -14.611 2.912 239 HD2 HIS 31 HD2 HIS 31 -6.367 -17.388 2.407 240 HE1 HIS 31 HE1 HIS 31 -7.667 -13.456 1.522 241 HE2 HIS 31 HE2 HIS 31 -5.749 -15.085 1.422 242 HA PRO 32 HA PRO 32 -5.535 -16.048 7.252 243 1HB PRO 32 HB2 PRO 32 -5.877 -16.386 9.891 244 2HB PRO 32 HB1 PRO 32 -6.480 -14.952 9.054 245 1HG PRO 32 HG2 PRO 32 -7.963 -17.401 9.923 246 2HG PRO 32 HG1 PRO 32 -8.452 -15.700 10.028 247 1HD PRO 32 HD2 PRO 32 -9.299 -17.420 8.065 248 2HD PRO 32 HD1 PRO 32 -9.204 -15.660 7.867 249 H ARG 33 HN ARG 33 -7.444 -18.858 8.166 250 HA ARG 33 HA ARG 33 -5.042 -20.384 8.811 251 1HB ARG 33 HB2 ARG 33 -7.981 -20.828 9.167 252 2HB ARG 33 HB1 ARG 33 -6.894 -22.210 9.181 253 1HG ARG 33 HG2 ARG 33 -7.217 -21.561 11.431 254 2HG ARG 33 HG1 ARG 33 -5.592 -21.043 10.981 255 1HD ARG 33 HD2 ARG 33 -6.239 -18.790 10.816 256 2HD ARG 33 HD1 ARG 33 -7.953 -19.199 10.790 257 HE ARG 33 HE ARG 33 -7.154 -20.095 13.208 258 1HH1 ARG 33 HH11 ARG 33 -6.799 -17.032 11.574 259 2HH1 ARG 33 HH12 ARG 33 -6.793 -16.109 13.039 260 1HH2 ARG 33 HH21 ARG 33 -7.145 -18.884 15.137 261 2HH2 ARG 33 HH22 ARG 33 -6.988 -17.161 15.063 262 H CYS 1 HN CYS 1 -1.663 -21.475 3.875 263 HA CYS 1 HA CYS 1 -3.261 -20.869 5.395 264 1HB CYS 1 HB2 CYS 1 -2.753 -18.134 4.227 265 2HB CYS 1 HB1 CYS 1 -3.953 -18.421 5.482 266 HG CYS 1 HG CYS 1 -1.020 -18.091 5.942 267 H GLY 2 HN GLY 2 -3.641 -19.524 2.144 268 1HA GLY 2 HA2 GLY 2 -6.507 -20.230 2.274 269 2HA GLY 2 HA1 GLY 2 -5.852 -18.948 1.266 270 H GLY 3 HN GLY 3 -4.274 -19.667 -0.439 271 1HA GLY 3 HA2 GLY 3 -4.024 -20.833 -2.410 272 2HA GLY 3 HA1 GLY 3 -3.875 -22.222 -1.343 273 H ASP 4 HN ASP 4 -6.694 -20.175 -1.981 274 HA ASP 4 HA ASP 4 -8.031 -22.497 -3.190 275 1HB ASP 4 HB2 ASP 4 -9.035 -20.673 -1.007 276 2HB ASP 4 HB1 ASP 4 -10.127 -21.654 -1.985 277 H ASN 5 HN ASN 5 -9.358 -19.347 -2.409 278 HA ASN 5 HA ASN 5 -9.262 -18.506 -5.201 279 1HB ASN 5 HB2 ASN 5 -11.547 -19.691 -4.202 280 2HB ASN 5 HB1 ASN 5 -11.869 -17.976 -3.962 281 1HD2 ASN 5 HD21 ASN 5 -10.460 -16.975 -6.165 282 2HD2 ASN 5 HD22 ASN 5 -11.291 -17.449 -7.602 283 H ILE 6 HN ILE 6 -10.209 -17.762 -1.880 284 HA ILE 6 HA ILE 6 -10.275 -14.958 -2.124 285 HB ILE 6 HB ILE 6 -9.410 -16.352 0.394 286 1HG1 ILE 6 HG12 ILE 6 -12.177 -16.270 -0.816 287 2HG1 ILE 6 HG11 ILE 6 -11.271 -17.683 -0.284 288 1HG2 ILE 6 HG21 ILE 6 -10.605 -14.549 1.474 289 2HG2 ILE 6 HG22 ILE 6 -11.128 -13.931 -0.093 290 3HG2 ILE 6 HG23 ILE 6 -9.418 -13.915 0.335 291 1HD1 ILE 6 HD11 ILE 6 -11.533 -17.044 2.016 292 2HD1 ILE 6 HD12 ILE 6 -13.112 -17.070 1.230 293 3HD1 ILE 6 HD13 ILE 6 -12.308 -15.531 1.544 294 H GLU 7 HN GLU 7 -7.757 -17.198 -1.084 295 HA GLU 7 HA GLU 7 -5.748 -15.400 -0.459 296 1HB GLU 7 HB2 GLU 7 -5.936 -18.108 -0.514 297 2HB GLU 7 HB1 GLU 7 -4.862 -17.832 -1.878 298 1HG GLU 7 HG2 GLU 7 -3.976 -16.216 0.276 299 2HG GLU 7 HG1 GLU 7 -4.250 -17.847 0.886 300 H GLN 8 HN GLN 8 -6.894 -16.426 -3.586 301 HA GLN 8 HA GLN 8 -4.647 -15.378 -5.036 302 1HB GLN 8 HB2 GLN 8 -6.346 -17.227 -5.746 303 2HB GLN 8 HB1 GLN 8 -7.342 -15.872 -6.260 304 1HG GLN 8 HG2 GLN 8 -4.737 -15.445 -7.275 305 2HG GLN 8 HG1 GLN 8 -5.179 -17.118 -7.616 306 1HE2 GLN 8 HE21 GLN 8 -5.133 -16.441 -9.848 307 2HE2 GLN 8 HE22 GLN 8 -6.516 -15.664 -10.534 308 H LYS 9 HN LYS 9 -7.877 -14.283 -4.182 309 HA LYS 9 HA LYS 9 -7.981 -11.973 -5.751 310 1HB LYS 9 HB2 LYS 9 -9.800 -13.117 -4.273 311 2HB LYS 9 HB1 LYS 9 -9.185 -12.064 -3.007 312 1HG LYS 9 HG2 LYS 9 -10.131 -10.233 -3.889 313 2HG LYS 9 HG1 LYS 9 -9.767 -10.718 -5.547 314 1HD LYS 9 HD2 LYS 9 -12.145 -10.702 -5.288 315 2HD LYS 9 HD1 LYS 9 -11.621 -12.384 -5.388 316 1HE LYS 9 HE2 LYS 9 -11.662 -11.382 -2.658 317 2HE LYS 9 HE1 LYS 9 -13.240 -11.284 -3.437 318 1HZ LYS 9 HZ1 LYS 9 -13.234 -13.393 -2.540 319 2HZ LYS 9 HZ2 LYS 9 -11.600 -13.666 -2.876 320 3HZ LYS 9 HZ3 LYS 9 -12.736 -13.698 -4.129 321 H ILE 10 HN ILE 10 -6.661 -12.511 -2.515 322 HA ILE 10 HA ILE 10 -6.032 -9.788 -2.030 323 HB ILE 10 HB ILE 10 -4.432 -10.702 -0.316 324 1HG1 ILE 10 HG12 ILE 10 -5.728 -13.352 -0.973 325 2HG1 ILE 10 HG11 ILE 10 -4.106 -12.902 -1.494 326 1HG2 ILE 10 HG21 ILE 10 -7.216 -11.793 -0.032 327 2HG2 ILE 10 HG22 ILE 10 -6.851 -10.069 0.042 328 3HG2 ILE 10 HG23 ILE 10 -6.151 -11.171 1.229 329 1HD1 ILE 10 HD11 ILE 10 -3.936 -14.257 0.459 330 2HD1 ILE 10 HD12 ILE 10 -5.076 -13.230 1.330 331 3HD1 ILE 10 HD13 ILE 10 -3.486 -12.607 0.887 332 H ASP 11 HN ASP 11 -4.143 -12.512 -3.311 333 HA ASP 11 HA ASP 11 -1.635 -11.400 -3.429 334 1HB ASP 11 HB2 ASP 11 -2.365 -13.722 -4.198 335 2HB ASP 11 HB1 ASP 11 -2.816 -12.968 -5.724 336 H ASP 12 HN ASP 12 -4.419 -10.764 -5.434 337 HA ASP 12 HA ASP 12 -3.099 -9.208 -7.412 338 1HB ASP 12 HB2 ASP 12 -5.959 -9.485 -6.522 339 2HB ASP 12 HB1 ASP 12 -5.505 -8.242 -7.685 340 H ILE 13 HN ILE 13 -4.926 -8.384 -4.489 341 HA ILE 13 HA ILE 13 -4.607 -5.602 -4.626 342 HB ILE 13 HB ILE 13 -4.796 -7.268 -2.111 343 1HG1 ILE 13 HG12 ILE 13 -6.990 -6.128 -3.859 344 2HG1 ILE 13 HG11 ILE 13 -6.609 -7.835 -3.654 345 1HG2 ILE 13 HG21 ILE 13 -4.415 -4.530 -2.441 346 2HG2 ILE 13 HG22 ILE 13 -4.925 -5.361 -0.973 347 3HG2 ILE 13 HG23 ILE 13 -6.133 -4.707 -2.080 348 1HD1 ILE 13 HD11 ILE 13 -7.121 -7.504 -1.197 349 2HD1 ILE 13 HD12 ILE 13 -8.486 -7.430 -2.312 350 3HD1 ILE 13 HD13 ILE 13 -7.800 -5.943 -1.658 351 H ASP 14 HN ASP 14 -2.656 -8.087 -2.997 352 HA ASP 14 HA ASP 14 -0.793 -6.546 -1.710 353 1HB ASP 14 HB2 ASP 14 -1.078 -9.208 -2.146 354 2HB ASP 14 HB1 ASP 14 0.324 -8.871 -3.156 355 H HIS 15 HN HIS 15 -1.055 -7.210 -5.136 356 HA HIS 15 HA HIS 15 1.523 -6.144 -5.800 357 1HB HIS 15 HB2 HIS 15 0.175 -7.825 -7.170 358 2HB HIS 15 HB1 HIS 15 -0.818 -6.462 -7.676 359 HD1 HIS 15 HD1 HIS 15 2.747 -5.663 -7.313 360 HD2 HIS 15 HD2 HIS 15 0.216 -7.030 -10.310 361 HE1 HIS 15 HE1 HIS 15 4.014 -5.340 -9.461 362 HE2 HIS 15 HE2 HIS 15 2.430 -6.097 -11.268 363 H GLU 16 HN GLU 16 -1.703 -4.906 -5.409 364 HA GLU 16 HA GLU 16 -1.094 -2.382 -6.677 365 1HB GLU 16 HB2 GLU 16 -3.519 -2.979 -4.997 366 2HB GLU 16 HB1 GLU 16 -3.354 -1.797 -6.292 367 1HG GLU 16 HG2 GLU 16 -3.389 -3.462 -7.953 368 2HG GLU 16 HG1 GLU 16 -3.128 -4.751 -6.777 369 H ILE 17 HN ILE 17 -1.307 -3.704 -3.452 370 HA ILE 17 HA ILE 17 -1.307 -1.276 -2.011 371 HB ILE 17 HB ILE 17 -0.140 -3.898 -1.074 372 1HG1 ILE 17 HG12 ILE 17 -2.961 -3.098 -0.511 373 2HG1 ILE 17 HG11 ILE 17 -2.590 -3.827 -2.067 374 1HG2 ILE 17 HG21 ILE 17 0.004 -2.978 0.951 375 2HG2 ILE 17 HG22 ILE 17 -1.607 -2.272 0.835 376 3HG2 ILE 17 HG23 ILE 17 -0.221 -1.426 0.146 377 1HD1 ILE 17 HD11 ILE 17 -1.349 -5.440 -0.151 378 2HD1 ILE 17 HD12 ILE 17 -2.784 -5.807 -1.108 379 3HD1 ILE 17 HD13 ILE 17 -2.950 -5.066 0.484 380 H ALA 18 HN ALA 18 1.219 -3.263 -3.400 381 HA ALA 18 HA ALA 18 3.376 -1.866 -2.108 382 1HB ALA 18 HB1 ALA 18 4.608 -3.592 -2.791 383 2HB ALA 18 HB2 ALA 18 4.126 -3.369 -4.473 384 3HB ALA 18 HB3 ALA 18 3.107 -4.308 -3.380 385 H ASP 19 HN ASP 19 1.777 -1.767 -5.250 386 HA ASP 19 HA ASP 19 3.573 -0.224 -6.687 387 1HB ASP 19 HB2 ASP 19 0.636 -0.664 -6.785 388 2HB ASP 19 HB1 ASP 19 1.258 0.733 -7.658 389 H LEU 20 HN LEU 20 0.983 0.838 -4.511 390 HA LEU 20 HA LEU 20 1.439 3.612 -4.863 391 1HB LEU 20 HB2 LEU 20 0.285 2.417 -2.370 392 2HB LEU 20 HB1 LEU 20 -0.090 3.956 -3.121 393 HG LEU 20 HG LEU 20 -0.944 1.211 -4.008 394 1HD1 LEU 20 HD11 LEU 20 -2.376 2.074 -2.348 395 2HD1 LEU 20 HD12 LEU 20 -3.192 2.352 -3.887 396 3HD1 LEU 20 HD13 LEU 20 -2.372 3.683 -3.071 397 1HD2 LEU 20 HD21 LEU 20 -0.186 2.604 -5.944 398 2HD2 LEU 20 HD22 LEU 20 -1.423 3.782 -5.502 399 3HD2 LEU 20 HD23 LEU 20 -1.890 2.150 -5.984 400 H GLN 21 HN GLN 21 2.427 1.335 -2.319 401 HA GLN 21 HA GLN 21 3.767 3.045 -0.633 402 1HB GLN 21 HB2 GLN 21 3.353 0.525 -0.398 403 2HB GLN 21 HB1 GLN 21 4.839 0.315 -1.315 404 1HG GLN 21 HG2 GLN 21 6.130 0.813 0.434 405 2HG GLN 21 HG1 GLN 21 5.102 2.155 0.934 406 1HE2 GLN 21 HE21 GLN 21 4.756 1.803 3.024 407 2HE2 GLN 21 HE22 GLN 21 4.123 0.346 3.704 408 H ALA 22 HN ALA 22 4.857 1.672 -3.676 409 HA ALA 22 HA ALA 22 7.566 2.487 -3.465 410 1HB ALA 22 HB1 ALA 22 6.242 0.857 -5.150 411 2HB ALA 22 HB2 ALA 22 7.836 1.528 -5.490 412 3HB ALA 22 HB3 ALA 22 6.396 2.292 -6.164 413 H LYS 23 HN LYS 23 4.655 3.998 -4.732 414 HA LYS 23 HA LYS 23 5.877 6.181 -6.021 415 1HB LYS 23 HB2 LYS 23 3.149 5.551 -5.023 416 2HB LYS 23 HB1 LYS 23 3.514 7.240 -5.348 417 1HG LYS 23 HG2 LYS 23 3.514 6.948 -7.571 418 2HG LYS 23 HG1 LYS 23 4.321 5.382 -7.468 419 1HD LYS 23 HD2 LYS 23 2.326 4.546 -8.071 420 2HD LYS 23 HD1 LYS 23 1.883 4.819 -6.385 421 1HE LYS 23 HE2 LYS 23 0.372 6.340 -6.969 422 2HE LYS 23 HE1 LYS 23 1.570 7.243 -7.894 423 1HZ LYS 23 HZ1 LYS 23 -0.531 6.142 -9.019 424 2HZ LYS 23 HZ2 LYS 23 0.504 4.807 -9.101 425 3HZ LYS 23 HZ3 LYS 23 0.950 6.267 -9.828 426 H ARG 24 HN ARG 24 4.972 5.615 -2.681 427 HA ARG 24 HA ARG 24 5.336 8.314 -1.820 428 1HB ARG 24 HB2 ARG 24 4.627 5.760 -0.622 429 2HB ARG 24 HB1 ARG 24 5.704 6.690 0.412 430 1HG ARG 24 HG2 ARG 24 4.040 8.637 -0.111 431 2HG ARG 24 HG1 ARG 24 2.942 7.311 -0.494 432 1HD ARG 24 HD2 ARG 24 2.546 6.988 1.660 433 2HD ARG 24 HD1 ARG 24 4.261 6.707 1.949 434 HE ARG 24 HE ARG 24 3.362 9.474 1.822 435 1HH1 ARG 24 HH11 ARG 24 4.296 6.759 3.813 436 2HH1 ARG 24 HH12 ARG 24 4.624 7.737 5.202 437 1HH2 ARG 24 HH21 ARG 24 3.791 10.754 3.649 438 2HH2 ARG 24 HH22 ARG 24 4.336 10.001 5.112 439 H THR 25 HN THR 25 7.335 5.385 -1.677 440 HA THR 25 HA THR 25 9.496 6.448 -0.266 441 HB THR 25 HB THR 25 10.077 4.486 -2.406 442 HG1 THR 25 HG1 THR 25 8.591 3.130 -1.851 443 1HG2 THR 25 HG21 THR 25 11.290 3.340 -0.749 444 2HG2 THR 25 HG22 THR 25 10.503 4.234 0.551 445 3HG2 THR 25 HG23 THR 25 11.640 5.053 -0.520 446 H ARG 26 HN ARG 26 9.070 6.119 -3.789 447 HA ARG 26 HA ARG 26 11.448 7.250 -4.615 448 1HB ARG 26 HB2 ARG 26 10.291 7.822 -6.713 449 2HB ARG 26 HB1 ARG 26 9.907 6.193 -6.173 450 1HG ARG 26 HG2 ARG 26 7.768 6.951 -5.323 451 2HG ARG 26 HG1 ARG 26 8.153 8.610 -5.782 452 1HD ARG 26 HD2 ARG 26 8.003 6.309 -7.721 453 2HD ARG 26 HD1 ARG 26 6.666 7.409 -7.388 454 HE ARG 26 HE ARG 26 9.095 8.733 -8.175 455 1HH1 ARG 26 HH11 ARG 26 6.166 7.209 -9.306 456 2HH1 ARG 26 HH12 ARG 26 6.162 8.053 -10.818 457 1HH2 ARG 26 HH21 ARG 26 9.090 9.844 -10.163 458 2HH2 ARG 26 HH22 ARG 26 7.822 9.549 -11.305 459 H LEU 27 HN LEU 27 8.405 8.864 -3.805 460 HA LEU 27 HA LEU 27 9.273 11.481 -4.413 461 1HB LEU 27 HB2 LEU 27 7.009 10.260 -2.958 462 2HB LEU 27 HB1 LEU 27 7.416 11.899 -2.485 463 HG LEU 27 HG LEU 27 7.377 12.148 -5.194 464 1HD1 LEU 27 HD11 LEU 27 5.285 10.108 -4.460 465 2HD1 LEU 27 HD12 LEU 27 6.628 9.891 -5.583 466 3HD1 LEU 27 HD13 LEU 27 5.326 11.017 -5.971 467 1HD2 LEU 27 HD21 LEU 27 6.091 13.258 -3.114 468 2HD2 LEU 27 HD22 LEU 27 4.751 12.400 -3.873 469 3HD2 LEU 27 HD23 LEU 27 5.677 13.581 -4.797 470 H VAL 28 HN VAL 28 9.528 9.458 -1.546 471 HA VAL 28 HA VAL 28 10.380 11.478 0.242 472 HB VAL 28 HB VAL 28 11.142 8.562 0.332 473 1HG1 VAL 28 HG11 VAL 28 10.684 10.076 2.808 474 2HG1 VAL 28 HG12 VAL 28 12.092 10.573 1.871 475 3HG1 VAL 28 HG13 VAL 28 11.937 8.902 2.409 476 1HG2 VAL 28 HG21 VAL 28 8.562 9.780 0.564 477 2HG2 VAL 28 HG22 VAL 28 9.032 9.099 2.121 478 3HG2 VAL 28 HG23 VAL 28 9.001 8.077 0.685 479 H GLN 29 HN GLN 29 12.127 9.257 -1.884 480 HA GLN 29 HA GLN 29 14.734 9.844 -1.149 481 1HB GLN 29 HB2 GLN 29 13.461 8.992 -3.724 482 2HB GLN 29 HB1 GLN 29 15.163 9.434 -3.715 483 1HG GLN 29 HG2 GLN 29 15.768 7.525 -2.744 484 2HG GLN 29 HG1 GLN 29 14.452 7.598 -1.573 485 1HE2 GLN 29 HE21 GLN 29 12.626 6.444 -1.920 486 2HE2 GLN 29 HE22 GLN 29 12.396 5.376 -3.259 487 H GLN 30 HN GLN 30 12.468 11.630 -3.117 488 HA GLN 30 HA GLN 30 14.327 13.541 -4.118 489 1HB GLN 30 HB2 GLN 30 12.139 13.092 -5.184 490 2HB GLN 30 HB1 GLN 30 11.330 13.777 -3.782 491 1HG GLN 30 HG2 GLN 30 11.333 15.670 -4.957 492 2HG GLN 30 HG1 GLN 30 13.022 15.791 -4.467 493 1HE2 GLN 30 HE21 GLN 30 14.519 14.466 -5.957 494 2HE2 GLN 30 HE22 GLN 30 14.259 14.687 -7.650 495 H HIS 31 HN HIS 31 12.431 13.230 -1.195 496 HA HIS 31 HA HIS 31 13.837 15.544 -0.102 497 1HB HIS 31 HB2 HIS 31 11.826 16.528 0.843 498 2HB HIS 31 HB1 HIS 31 11.672 16.417 -0.906 499 HD1 HIS 31 HD1 HIS 31 10.177 14.323 -1.758 500 HD2 HIS 31 HD2 HIS 31 9.774 15.399 2.232 501 HE1 HIS 31 HE1 HIS 31 8.011 13.303 -1.001 502 HE2 HIS 31 HE2 HIS 31 7.898 13.801 1.464 503 HA PRO 32 HA PRO 32 13.678 11.802 2.699 504 1HB PRO 32 HB2 PRO 32 16.310 12.011 3.427 505 2HB PRO 32 HB1 PRO 32 15.743 11.056 2.053 506 1HG PRO 32 HG2 PRO 32 16.916 13.809 2.094 507 2HG PRO 32 HG1 PRO 32 17.227 12.476 0.966 508 1HD PRO 32 HD2 PRO 32 15.604 14.525 0.328 509 2HD PRO 32 HD1 PRO 32 15.285 12.869 -0.231 510 H ARG 33 HN ARG 33 14.897 15.071 3.017 511 HA ARG 33 HA ARG 33 14.306 14.969 5.904 512 1HB ARG 33 HB2 ARG 33 15.887 16.910 6.097 513 2HB ARG 33 HB1 ARG 33 16.640 15.393 5.631 514 1HG ARG 33 HG2 ARG 33 15.780 17.153 3.425 515 2HG ARG 33 HG1 ARG 33 17.126 17.724 4.411 516 1HD ARG 33 HD2 ARG 33 17.409 14.922 3.735 517 2HD ARG 33 HD1 ARG 33 17.243 15.922 2.295 518 HE ARG 33 HE ARG 33 19.244 16.999 2.823 519 1HH1 ARG 33 HH11 ARG 33 18.405 14.640 5.264 520 2HH1 ARG 33 HH12 ARG 33 19.986 14.632 5.969 521 1HH2 ARG 33 HH21 ARG 33 21.317 16.983 3.756 522 2HH2 ARG 33 HH22 ARG 33 21.635 15.960 5.117 Start of MODEL 39 1 H CYS 1 HT1 CYS 1 8.984 28.123 -3.985 2 HA CYS 1 HA CYS 1 11.065 26.983 -5.700 3 1HB CYS 1 HB2 CYS 1 11.198 28.526 -3.487 4 2HB CYS 1 HB1 CYS 1 11.111 26.936 -2.735 5 HG CYS 1 HG CYS 1 13.301 26.314 -4.093 6 H GLY 2 HN GLY 2 8.458 26.244 -3.462 7 1HA GLY 2 HA2 GLY 2 7.470 23.971 -4.031 8 2HA GLY 2 HA1 GLY 2 9.095 23.375 -3.728 9 H GLY 3 HN GLY 3 9.960 23.585 -1.559 10 1HA GLY 3 HA2 GLY 3 9.782 23.753 0.760 11 2HA GLY 3 HA1 GLY 3 8.104 24.238 0.573 12 H ASP 4 HN ASP 4 6.922 22.864 1.735 13 HA ASP 4 HA ASP 4 7.636 20.035 1.808 14 1HB ASP 4 HB2 ASP 4 5.537 21.581 3.329 15 2HB ASP 4 HB1 ASP 4 5.919 19.878 3.570 16 H ASN 5 HN ASN 5 6.205 21.625 -0.444 17 HA ASN 5 HA ASN 5 3.586 20.777 -0.750 18 1HB ASN 5 HB2 ASN 5 5.254 22.252 -2.272 19 2HB ASN 5 HB1 ASN 5 5.279 20.750 -3.190 20 1HD2 ASN 5 HD21 ASN 5 2.891 19.784 -3.245 21 2HD2 ASN 5 HD22 ASN 5 1.719 20.903 -3.844 22 H ILE 6 HN ILE 6 6.573 19.067 -1.124 23 HA ILE 6 HA ILE 6 5.453 16.786 -2.461 24 HB ILE 6 HB ILE 6 8.058 16.898 -0.956 25 1HG1 ILE 6 HG12 ILE 6 8.691 17.279 -3.613 26 2HG1 ILE 6 HG11 ILE 6 7.254 18.277 -3.416 27 1HG2 ILE 6 HG21 ILE 6 7.264 15.288 -3.372 28 2HG2 ILE 6 HG22 ILE 6 7.194 14.699 -1.712 29 3HG2 ILE 6 HG23 ILE 6 8.745 15.140 -2.426 30 1HD1 ILE 6 HD11 ILE 6 9.432 18.492 -1.405 31 2HD1 ILE 6 HD12 ILE 6 8.283 19.708 -1.965 32 3HD1 ILE 6 HD13 ILE 6 9.645 19.243 -2.987 33 H GLU 7 HN GLU 7 6.519 17.577 0.813 34 HA GLU 7 HA GLU 7 6.086 15.125 2.043 35 1HB GLU 7 HB2 GLU 7 7.239 16.993 3.134 36 2HB GLU 7 HB1 GLU 7 5.729 17.890 3.213 37 1HG GLU 7 HG2 GLU 7 4.938 16.680 4.954 38 2HG GLU 7 HG1 GLU 7 5.757 15.204 4.446 39 H GLN 8 HN GLN 8 3.820 17.464 0.905 40 HA GLN 8 HA GLN 8 1.613 16.488 2.484 41 1HB GLN 8 HB2 GLN 8 1.983 18.863 1.423 42 2HB GLN 8 HB1 GLN 8 1.276 18.121 -0.005 43 1HG GLN 8 HG2 GLN 8 -0.451 19.231 1.203 44 2HG GLN 8 HG1 GLN 8 -0.696 17.493 1.359 45 1HE2 GLN 8 HE21 GLN 8 -1.673 17.298 3.267 46 2HE2 GLN 8 HE22 GLN 8 -1.055 17.889 4.769 47 H LYS 9 HN LYS 9 2.792 16.187 -0.822 48 HA LYS 9 HA LYS 9 0.668 14.683 -1.867 49 1HB LYS 9 HB2 LYS 9 3.454 15.278 -2.640 50 2HB LYS 9 HB1 LYS 9 2.797 13.787 -3.304 51 1HG LYS 9 HG2 LYS 9 1.045 14.940 -4.402 52 2HG LYS 9 HG1 LYS 9 1.391 16.434 -3.528 53 1HD LYS 9 HD2 LYS 9 3.662 15.358 -5.041 54 2HD LYS 9 HD1 LYS 9 2.288 15.844 -6.035 55 1HE LYS 9 HE2 LYS 9 3.120 17.710 -3.893 56 2HE LYS 9 HE1 LYS 9 4.211 17.540 -5.268 57 1HZ LYS 9 HZ1 LYS 9 2.756 18.526 -6.661 58 2HZ LYS 9 HZ2 LYS 9 2.192 19.243 -5.237 59 3HZ LYS 9 HZ3 LYS 9 1.389 17.902 -5.883 60 H ILE 10 HN ILE 10 3.544 13.749 -0.067 61 HA ILE 10 HA ILE 10 3.260 10.951 -0.478 62 HB ILE 10 HB ILE 10 4.717 10.723 1.524 63 1HG1 ILE 10 HG12 ILE 10 4.858 13.733 1.429 64 2HG1 ILE 10 HG11 ILE 10 3.997 12.812 2.661 65 1HG2 ILE 10 HG21 ILE 10 6.039 12.687 -0.259 66 2HG2 ILE 10 HG22 ILE 10 5.386 11.211 -0.969 67 3HG2 ILE 10 HG23 ILE 10 6.602 11.114 0.306 68 1HD1 ILE 10 HD11 ILE 10 6.934 12.515 2.131 69 2HD1 ILE 10 HD12 ILE 10 6.009 11.886 3.494 70 3HD1 ILE 10 HD13 ILE 10 6.259 13.624 3.324 71 H ASP 11 HN ASP 11 2.236 13.139 2.133 72 HA ASP 11 HA ASP 11 1.251 11.312 3.947 73 1HB ASP 11 HB2 ASP 11 1.280 13.948 3.960 74 2HB ASP 11 HB1 ASP 11 -0.361 13.767 3.346 75 H ASP 12 HN ASP 12 -0.082 12.403 0.921 76 HA ASP 12 HA ASP 12 -2.662 11.237 1.222 77 1HB ASP 12 HB2 ASP 12 -1.567 12.946 -0.588 78 2HB ASP 12 HB1 ASP 12 -1.548 11.447 -1.512 79 H ILE 13 HN ILE 13 0.345 10.197 -0.326 80 HA ILE 13 HA ILE 13 -0.551 7.720 -1.286 81 HB ILE 13 HB ILE 13 2.246 8.335 -0.324 82 1HG1 ILE 13 HG12 ILE 13 0.948 8.896 -3.000 83 2HG1 ILE 13 HG11 ILE 13 1.544 10.090 -1.851 84 1HG2 ILE 13 HG21 ILE 13 1.778 6.632 -2.677 85 2HG2 ILE 13 HG22 ILE 13 1.248 5.960 -1.136 86 3HG2 ILE 13 HG23 ILE 13 2.928 6.452 -1.353 87 1HD1 ILE 13 HD11 ILE 13 3.581 9.985 -2.705 88 2HD1 ILE 13 HD12 ILE 13 2.917 8.982 -3.994 89 3HD1 ILE 13 HD13 ILE 13 3.619 8.228 -2.562 90 H ASP 14 HN ASP 14 1.115 8.547 1.751 91 HA ASP 14 HA ASP 14 1.331 6.062 2.895 92 1HB ASP 14 HB2 ASP 14 1.983 8.458 3.768 93 2HB ASP 14 HB1 ASP 14 0.441 8.348 4.609 94 H HIS 15 HN HIS 15 -1.535 8.033 2.528 95 HA HIS 15 HA HIS 15 -3.157 6.475 4.306 96 1HB HIS 15 HB2 HIS 15 -3.524 8.917 3.558 97 2HB HIS 15 HB1 HIS 15 -4.201 8.222 2.088 98 HD1 HIS 15 HD1 HIS 15 -4.840 6.523 5.344 99 HD2 HIS 15 HD2 HIS 15 -6.764 9.164 2.777 100 HE1 HIS 15 HE1 HIS 15 -7.227 6.602 6.126 101 HE2 HIS 15 HE2 HIS 15 -8.391 8.142 4.507 102 H GLU 16 HN GLU 16 -2.254 6.361 0.963 103 HA GLU 16 HA GLU 16 -4.325 4.476 0.252 104 1HB GLU 16 HB2 GLU 16 -1.920 5.207 -1.409 105 2HB GLU 16 HB1 GLU 16 -3.476 4.600 -1.961 106 1HG GLU 16 HG2 GLU 16 -4.530 6.644 -1.633 107 2HG GLU 16 HG1 GLU 16 -3.270 7.225 -0.545 108 H ILE 17 HN ILE 17 -0.882 4.466 0.954 109 HA ILE 17 HA ILE 17 -0.279 1.840 0.185 110 HB ILE 17 HB ILE 17 0.984 3.300 2.507 111 1HG1 ILE 17 HG12 ILE 17 2.056 3.436 -0.287 112 2HG1 ILE 17 HG11 ILE 17 0.786 4.549 0.204 113 1HG2 ILE 17 HG21 ILE 17 1.587 0.871 0.988 114 2HG2 ILE 17 HG22 ILE 17 2.093 1.357 2.606 115 3HG2 ILE 17 HG23 ILE 17 2.958 1.960 1.193 116 1HD1 ILE 17 HD11 ILE 17 2.410 5.860 0.943 117 2HD1 ILE 17 HD12 ILE 17 3.612 4.578 0.797 118 3HD1 ILE 17 HD13 ILE 17 2.625 4.700 2.254 119 H ALA 18 HN ALA 18 -1.726 3.178 3.072 120 HA ALA 18 HA ALA 18 -1.591 0.719 4.570 121 1HB ALA 18 HB1 ALA 18 -3.486 2.679 5.568 122 2HB ALA 18 HB2 ALA 18 -1.907 3.388 5.225 123 3HB ALA 18 HB3 ALA 18 -2.038 2.016 6.326 124 H ASP 19 HN ASP 19 -4.002 2.467 2.686 125 HA ASP 19 HA ASP 19 -6.296 1.086 3.417 126 1HB ASP 19 HB2 ASP 19 -5.815 3.086 1.697 127 2HB ASP 19 HB1 ASP 19 -5.976 1.767 0.541 128 H LEU 20 HN LEU 20 -3.928 0.300 0.895 129 HA LEU 20 HA LEU 20 -5.242 -2.041 -0.002 130 1HB LEU 20 HB2 LEU 20 -2.282 -1.579 -0.185 131 2HB LEU 20 HB1 LEU 20 -3.313 -2.476 -1.283 132 HG LEU 20 HG LEU 20 -3.066 0.505 -0.986 133 1HD1 LEU 20 HD11 LEU 20 -2.776 0.251 -3.496 134 2HD1 LEU 20 HD12 LEU 20 -2.619 -1.480 -3.195 135 3HD1 LEU 20 HD13 LEU 20 -1.469 -0.353 -2.478 136 1HD2 LEU 20 HD21 LEU 20 -5.308 0.544 -1.274 137 2HD2 LEU 20 HD22 LEU 20 -5.363 -1.091 -1.933 138 3HD2 LEU 20 HD23 LEU 20 -4.869 0.257 -2.958 139 H GLN 21 HN GLN 21 -2.447 -1.571 2.156 140 HA GLN 21 HA GLN 21 -1.886 -4.201 2.754 141 1HB GLN 21 HB2 GLN 21 -0.734 -2.004 3.526 142 2HB GLN 21 HB1 GLN 21 -1.821 -2.106 4.903 143 1HG GLN 21 HG2 GLN 21 -0.512 -3.583 5.895 144 2HG GLN 21 HG1 GLN 21 -0.561 -4.640 4.485 145 1HE2 GLN 21 HE21 GLN 21 1.169 -2.095 6.106 146 2HE2 GLN 21 HE22 GLN 21 2.635 -2.241 5.204 147 H ALA 22 HN ALA 22 -4.468 -2.178 3.982 148 HA ALA 22 HA ALA 22 -5.268 -3.952 6.071 149 1HB ALA 22 HB1 ALA 22 -6.785 -2.369 6.609 150 2HB ALA 22 HB2 ALA 22 -7.286 -2.128 4.935 151 3HB ALA 22 HB3 ALA 22 -5.810 -1.369 5.532 152 H LYS 23 HN LYS 23 -6.021 -3.611 2.680 153 HA LYS 23 HA LYS 23 -8.363 -5.214 2.668 154 1HB LYS 23 HB2 LYS 23 -6.424 -4.408 0.505 155 2HB LYS 23 HB1 LYS 23 -7.834 -5.409 0.183 156 1HG LYS 23 HG2 LYS 23 -9.266 -3.683 0.351 157 2HG LYS 23 HG1 LYS 23 -8.359 -2.917 1.656 158 1HD LYS 23 HD2 LYS 23 -7.168 -1.638 0.241 159 2HD LYS 23 HD1 LYS 23 -6.977 -2.943 -0.931 160 1HE LYS 23 HE2 LYS 23 -9.587 -1.503 -0.557 161 2HE LYS 23 HE1 LYS 23 -8.337 -0.901 -1.644 162 1HZ LYS 23 HZ1 LYS 23 -8.433 -2.984 -2.858 163 2HZ LYS 23 HZ2 LYS 23 -9.960 -2.258 -2.812 164 3HZ LYS 23 HZ3 LYS 23 -9.620 -3.575 -1.808 165 H ARG 24 HN ARG 24 -4.937 -5.913 2.441 166 HA ARG 24 HA ARG 24 -5.234 -8.602 1.537 167 1HB ARG 24 HB2 ARG 24 -3.057 -6.835 2.345 168 2HB ARG 24 HB1 ARG 24 -2.803 -8.496 2.864 169 1HG ARG 24 HG2 ARG 24 -3.440 -9.065 0.401 170 2HG ARG 24 HG1 ARG 24 -3.000 -7.382 0.110 171 1HD ARG 24 HD2 ARG 24 -0.865 -7.977 0.051 172 2HD ARG 24 HD1 ARG 24 -0.979 -8.481 1.736 173 HE ARG 24 HE ARG 24 -1.866 -10.410 -0.244 174 1HH1 ARG 24 HH11 ARG 24 0.733 -9.304 1.812 175 2HH1 ARG 24 HH12 ARG 24 1.568 -10.821 1.777 176 1HH2 ARG 24 HH21 ARG 24 -0.765 -12.398 -0.290 177 2HH2 ARG 24 HH22 ARG 24 0.720 -12.575 0.584 178 H THR 25 HN THR 25 -4.700 -7.136 4.727 179 HA THR 25 HA THR 25 -4.507 -9.513 6.195 180 HB THR 25 HB THR 25 -5.817 -7.221 7.515 181 HG1 THR 25 HG1 THR 25 -3.870 -6.005 7.423 182 1HG2 THR 25 HG21 THR 25 -4.925 -8.924 8.915 183 2HG2 THR 25 HG22 THR 25 -3.908 -7.492 9.082 184 3HG2 THR 25 HG23 THR 25 -3.363 -8.851 8.099 185 H ARG 26 HN ARG 26 -7.332 -7.387 5.724 186 HA ARG 26 HA ARG 26 -9.203 -8.841 7.136 187 1HB ARG 26 HB2 ARG 26 -10.904 -7.788 5.724 188 2HB ARG 26 HB1 ARG 26 -9.664 -6.633 6.186 189 1HG ARG 26 HG2 ARG 26 -8.607 -6.915 3.984 190 2HG ARG 26 HG1 ARG 26 -9.907 -8.017 3.525 191 1HD ARG 26 HD2 ARG 26 -10.289 -5.750 2.674 192 2HD ARG 26 HD1 ARG 26 -11.542 -6.245 3.811 193 HE ARG 26 HE ARG 26 -9.392 -4.770 5.024 194 1HH1 ARG 26 HH11 ARG 26 -12.452 -4.526 3.362 195 2HH1 ARG 26 HH12 ARG 26 -12.821 -2.963 4.009 196 1HH2 ARG 26 HH21 ARG 26 -9.877 -2.713 5.877 197 2HH2 ARG 26 HH22 ARG 26 -11.359 -1.934 5.437 198 H LEU 27 HN LEU 27 -8.239 -9.213 3.747 199 HA LEU 27 HA LEU 27 -10.009 -11.294 3.104 200 1HB LEU 27 HB2 LEU 27 -7.551 -10.152 1.957 201 2HB LEU 27 HB1 LEU 27 -7.827 -11.837 1.557 202 HG LEU 27 HG LEU 27 -10.259 -10.890 0.976 203 1HD1 LEU 27 HD11 LEU 27 -8.437 -8.579 0.332 204 2HD1 LEU 27 HD12 LEU 27 -9.609 -8.589 1.648 205 3HD1 LEU 27 HD13 LEU 27 -10.159 -8.713 -0.023 206 1HD2 LEU 27 HD21 LEU 27 -9.510 -10.745 -1.362 207 2HD2 LEU 27 HD22 LEU 27 -8.850 -12.156 -0.536 208 3HD2 LEU 27 HD23 LEU 27 -7.834 -10.741 -0.811 209 H VAL 28 HN VAL 28 -6.837 -11.272 4.634 210 HA VAL 28 HA VAL 28 -6.380 -14.060 4.573 211 HB VAL 28 HB VAL 28 -5.425 -12.119 6.675 212 1HG1 VAL 28 HG11 VAL 28 -5.206 -14.608 7.089 213 2HG1 VAL 28 HG12 VAL 28 -3.714 -13.669 7.162 214 3HG1 VAL 28 HG13 VAL 28 -4.078 -14.635 5.733 215 1HG2 VAL 28 HG21 VAL 28 -4.113 -11.155 5.162 216 2HG2 VAL 28 HG22 VAL 28 -4.875 -12.126 3.902 217 3HG2 VAL 28 HG23 VAL 28 -3.432 -12.721 4.722 218 H GLN 29 HN GLN 29 -7.914 -11.929 6.940 219 HA GLN 29 HA GLN 29 -8.397 -13.727 8.988 220 1HB GLN 29 HB2 GLN 29 -9.960 -11.360 7.980 221 2HB GLN 29 HB1 GLN 29 -10.525 -12.305 9.352 222 1HG GLN 29 HG2 GLN 29 -9.035 -11.400 10.742 223 2HG GLN 29 HG1 GLN 29 -7.730 -11.501 9.561 224 1HE2 GLN 29 HE21 GLN 29 -6.922 -9.614 9.029 225 2HE2 GLN 29 HE22 GLN 29 -7.778 -8.116 8.956 226 H GLN 30 HN GLN 30 -9.891 -13.415 5.872 227 HA GLN 30 HA GLN 30 -12.148 -15.088 6.449 228 1HB GLN 30 HB2 GLN 30 -11.646 -13.297 4.500 229 2HB GLN 30 HB1 GLN 30 -11.218 -14.776 3.650 230 1HG GLN 30 HG2 GLN 30 -13.697 -15.155 5.019 231 2HG GLN 30 HG1 GLN 30 -13.773 -13.679 4.056 232 1HE2 GLN 30 HE21 GLN 30 -14.042 -13.836 1.920 233 2HE2 GLN 30 HE22 GLN 30 -14.048 -15.314 1.026 234 H HIS 31 HN HIS 31 -8.888 -15.539 5.244 235 HA HIS 31 HA HIS 31 -9.310 -18.437 5.391 236 1HB HIS 31 HB2 HIS 31 -8.122 -18.853 3.328 237 2HB HIS 31 HB1 HIS 31 -9.469 -17.767 3.003 238 HD1 HIS 31 HD1 HIS 31 -8.512 -15.067 3.325 239 HD2 HIS 31 HD2 HIS 31 -5.962 -18.033 1.938 240 HE1 HIS 31 HE1 HIS 31 -6.690 -13.865 2.089 241 HE2 HIS 31 HE2 HIS 31 -5.044 -15.666 1.473 242 HA PRO 32 HA PRO 32 -5.354 -16.956 7.407 243 1HB PRO 32 HB2 PRO 32 -5.969 -17.411 9.977 244 2HB PRO 32 HB1 PRO 32 -6.457 -15.922 9.158 245 1HG PRO 32 HG2 PRO 32 -8.067 -18.374 9.748 246 2HG PRO 32 HG1 PRO 32 -8.531 -16.669 9.891 247 1HD PRO 32 HD2 PRO 32 -9.206 -18.274 7.767 248 2HD PRO 32 HD1 PRO 32 -9.064 -16.508 7.672 249 H ARG 33 HN ARG 33 -7.417 -19.728 8.144 250 HA ARG 33 HA ARG 33 -5.448 -21.634 7.533 251 1HB ARG 33 HB2 ARG 33 -5.157 -22.554 9.874 252 2HB ARG 33 HB1 ARG 33 -4.302 -21.058 9.528 253 1HG ARG 33 HG2 ARG 33 -6.981 -20.671 10.638 254 2HG ARG 33 HG1 ARG 33 -5.859 -21.510 11.713 255 1HD ARG 33 HD2 ARG 33 -4.688 -19.195 10.369 256 2HD ARG 33 HD1 ARG 33 -6.055 -18.791 11.406 257 HE ARG 33 HE ARG 33 -3.456 -19.700 12.233 258 1HH1 ARG 33 HH11 ARG 33 -6.821 -19.450 13.125 259 2HH1 ARG 33 HH12 ARG 33 -6.504 -19.522 14.825 260 1HH2 ARG 33 HH21 ARG 33 -3.038 -19.796 14.471 261 2HH2 ARG 33 HH22 ARG 33 -4.358 -19.718 15.590 262 H CYS 1 HN CYS 1 -14.923 -23.920 -4.449 263 HA CYS 1 HA CYS 1 -16.696 -21.761 -4.255 264 1HB CYS 1 HB2 CYS 1 -17.342 -24.130 -2.582 265 2HB CYS 1 HB1 CYS 1 -17.445 -22.554 -1.806 266 HG CYS 1 HG CYS 1 -19.431 -21.964 -3.199 267 H GLY 2 HN GLY 2 -14.530 -23.892 -2.441 268 1HA GLY 2 HA2 GLY 2 -13.154 -21.475 -1.452 269 2HA GLY 2 HA1 GLY 2 -13.487 -22.828 -0.381 270 H GLY 3 HN GLY 3 -11.594 -21.719 -3.113 271 1HA GLY 3 HA2 GLY 3 -9.678 -23.888 -2.545 272 2HA GLY 3 HA1 GLY 3 -10.129 -23.507 -4.200 273 H ASP 4 HN ASP 4 -9.139 -21.646 -1.321 274 HA ASP 4 HA ASP 4 -7.547 -20.047 -1.021 275 1HB ASP 4 HB2 ASP 4 -6.316 -21.260 -3.494 276 2HB ASP 4 HB1 ASP 4 -5.510 -20.162 -2.378 277 H ASN 5 HN ASN 5 -9.848 -19.776 -3.055 278 HA ASN 5 HA ASN 5 -9.161 -18.062 -5.124 279 1HB ASN 5 HB2 ASN 5 -11.471 -19.131 -4.407 280 2HB ASN 5 HB1 ASN 5 -11.696 -17.578 -3.609 281 1HD2 ASN 5 HD21 ASN 5 -10.281 -18.595 -6.702 282 2HD2 ASN 5 HD22 ASN 5 -11.227 -17.530 -7.679 283 H ILE 6 HN ILE 6 -9.432 -17.504 -1.720 284 HA ILE 6 HA ILE 6 -9.431 -14.634 -1.895 285 HB ILE 6 HB ILE 6 -8.776 -16.317 0.517 286 1HG1 ILE 6 HG12 ILE 6 -11.500 -15.269 0.366 287 2HG1 ILE 6 HG11 ILE 6 -11.155 -16.437 -0.906 288 1HG2 ILE 6 HG21 ILE 6 -8.266 -13.893 0.597 289 2HG2 ILE 6 HG22 ILE 6 -9.461 -14.404 1.789 290 3HG2 ILE 6 HG23 ILE 6 -9.977 -13.563 0.327 291 1HD1 ILE 6 HD11 ILE 6 -10.348 -17.995 0.879 292 2HD1 ILE 6 HD12 ILE 6 -12.072 -17.623 0.923 293 3HD1 ILE 6 HD13 ILE 6 -10.973 -16.846 2.063 294 H GLU 7 HN GLU 7 -7.111 -17.169 -1.068 295 HA GLU 7 HA GLU 7 -4.920 -15.596 -0.403 296 1HB GLU 7 HB2 GLU 7 -5.333 -18.232 -0.453 297 2HB GLU 7 HB1 GLU 7 -4.439 -18.086 -1.960 298 1HG GLU 7 HG2 GLU 7 -3.218 -16.667 0.281 299 2HG GLU 7 HG1 GLU 7 -3.341 -18.410 0.514 300 H GLN 8 HN GLN 8 -6.219 -16.463 -3.526 301 HA GLN 8 HA GLN 8 -3.956 -15.497 -5.009 302 1HB GLN 8 HB2 GLN 8 -5.946 -17.194 -5.636 303 2HB GLN 8 HB1 GLN 8 -6.613 -15.715 -6.312 304 1HG GLN 8 HG2 GLN 8 -5.475 -16.637 -8.095 305 2HG GLN 8 HG1 GLN 8 -4.326 -15.460 -7.460 306 1HE2 GLN 8 HE21 GLN 8 -2.879 -16.893 -8.754 307 2HE2 GLN 8 HE22 GLN 8 -2.177 -18.249 -7.948 308 H LYS 9 HN LYS 9 -7.124 -14.288 -4.078 309 HA LYS 9 HA LYS 9 -7.085 -11.910 -5.577 310 1HB LYS 9 HB2 LYS 9 -8.904 -13.152 -3.955 311 2HB LYS 9 HB1 LYS 9 -8.445 -11.767 -2.974 312 1HG LYS 9 HG2 LYS 9 -8.964 -11.062 -5.748 313 2HG LYS 9 HG1 LYS 9 -10.354 -11.797 -4.949 314 1HD LYS 9 HD2 LYS 9 -9.138 -9.916 -3.170 315 2HD LYS 9 HD1 LYS 9 -9.413 -9.140 -4.731 316 1HE LYS 9 HE2 LYS 9 -11.654 -9.197 -4.508 317 2HE LYS 9 HE1 LYS 9 -11.640 -10.788 -3.750 318 1HZ LYS 9 HZ1 LYS 9 -11.290 -9.884 -1.666 319 2HZ LYS 9 HZ2 LYS 9 -12.347 -8.764 -2.365 320 3HZ LYS 9 HZ3 LYS 9 -10.694 -8.420 -2.270 321 H ILE 10 HN ILE 10 -5.822 -12.724 -2.393 322 HA ILE 10 HA ILE 10 -5.169 -10.043 -1.679 323 HB ILE 10 HB ILE 10 -3.657 -11.106 0.015 324 1HG1 ILE 10 HG12 ILE 10 -4.939 -13.677 -0.926 325 2HG1 ILE 10 HG11 ILE 10 -3.270 -13.217 -1.250 326 1HG2 ILE 10 HG21 ILE 10 -6.442 -12.207 0.165 327 2HG2 ILE 10 HG22 ILE 10 -6.109 -10.480 0.296 328 3HG2 ILE 10 HG23 ILE 10 -5.422 -11.602 1.470 329 1HD1 ILE 10 HD11 ILE 10 -3.323 -14.739 0.590 330 2HD1 ILE 10 HD12 ILE 10 -4.510 -13.746 1.436 331 3HD1 ILE 10 HD13 ILE 10 -2.871 -13.143 1.188 332 H ASP 11 HN ASP 11 -3.305 -12.736 -3.070 333 HA ASP 11 HA ASP 11 -0.775 -11.643 -3.049 334 1HB ASP 11 HB2 ASP 11 -1.822 -13.898 -4.100 335 2HB ASP 11 HB1 ASP 11 -1.580 -12.973 -5.579 336 H ASP 12 HN ASP 12 -3.494 -10.935 -5.115 337 HA ASP 12 HA ASP 12 -2.121 -9.319 -7.005 338 1HB ASP 12 HB2 ASP 12 -4.956 -9.818 -6.265 339 2HB ASP 12 HB1 ASP 12 -4.615 -8.299 -7.089 340 H ILE 13 HN ILE 13 -3.924 -8.634 -4.044 341 HA ILE 13 HA ILE 13 -3.640 -5.841 -4.068 342 HB ILE 13 HB ILE 13 -3.787 -7.601 -1.619 343 1HG1 ILE 13 HG12 ILE 13 -6.001 -6.502 -3.361 344 2HG1 ILE 13 HG11 ILE 13 -5.596 -8.198 -3.118 345 1HG2 ILE 13 HG21 ILE 13 -5.174 -5.053 -1.549 346 2HG2 ILE 13 HG22 ILE 13 -3.445 -4.866 -1.836 347 3HG2 ILE 13 HG23 ILE 13 -4.013 -5.740 -0.413 348 1HD1 ILE 13 HD11 ILE 13 -7.267 -6.447 -1.540 349 2HD1 ILE 13 HD12 ILE 13 -6.040 -7.253 -0.562 350 3HD1 ILE 13 HD13 ILE 13 -7.153 -8.207 -1.543 351 H ASP 14 HN ASP 14 -1.667 -8.386 -2.558 352 HA ASP 14 HA ASP 14 0.194 -6.889 -1.215 353 1HB ASP 14 HB2 ASP 14 -0.061 -9.506 -1.648 354 2HB ASP 14 HB1 ASP 14 1.222 -9.185 -2.811 355 H HIS 15 HN HIS 15 -0.094 -7.385 -4.662 356 HA HIS 15 HA HIS 15 2.474 -6.266 -5.293 357 1HB HIS 15 HB2 HIS 15 0.876 -7.862 -6.688 358 2HB HIS 15 HB1 HIS 15 0.255 -6.328 -7.289 359 HD1 HIS 15 HD1 HIS 15 3.377 -5.176 -7.000 360 HD2 HIS 15 HD2 HIS 15 1.894 -8.276 -9.335 361 HE1 HIS 15 HE1 HIS 15 5.026 -5.451 -8.878 362 HE2 HIS 15 HE2 HIS 15 4.155 -7.392 -10.227 363 H GLU 16 HN GLU 16 -0.769 -5.086 -4.843 364 HA GLU 16 HA GLU 16 -0.200 -2.499 -5.992 365 1HB GLU 16 HB2 GLU 16 -2.599 -3.196 -4.314 366 2HB GLU 16 HB1 GLU 16 -2.462 -1.960 -5.558 367 1HG GLU 16 HG2 GLU 16 -2.507 -3.546 -7.289 368 2HG GLU 16 HG1 GLU 16 -2.204 -4.883 -6.180 369 H ILE 17 HN ILE 17 -0.375 -3.963 -2.824 370 HA ILE 17 HA ILE 17 -0.394 -1.614 -1.269 371 HB ILE 17 HB ILE 17 0.847 -4.256 -0.490 372 1HG1 ILE 17 HG12 ILE 17 -1.977 -3.524 0.164 373 2HG1 ILE 17 HG11 ILE 17 -1.621 -4.187 -1.426 374 1HG2 ILE 17 HG21 ILE 17 0.200 -1.768 0.913 375 2HG2 ILE 17 HG22 ILE 17 1.342 -3.045 1.331 376 3HG2 ILE 17 HG23 ILE 17 -0.369 -3.230 1.719 377 1HD1 ILE 17 HD11 ILE 17 -0.361 -5.775 0.592 378 2HD1 ILE 17 HD12 ILE 17 -1.576 -6.234 -0.600 379 3HD1 ILE 17 HD13 ILE 17 -2.074 -5.576 0.957 380 H ALA 18 HN ALA 18 2.171 -3.508 -2.734 381 HA ALA 18 HA ALA 18 4.305 -2.096 -1.436 382 1HB ALA 18 HB1 ALA 18 4.052 -4.301 -3.364 383 2HB ALA 18 HB2 ALA 18 5.151 -4.104 -1.998 384 3HB ALA 18 HB3 ALA 18 5.504 -3.312 -3.534 385 H ASP 19 HN ASP 19 2.629 -1.893 -4.525 386 HA ASP 19 HA ASP 19 4.363 -0.246 -5.932 387 1HB ASP 19 HB2 ASP 19 2.102 -1.349 -6.633 388 2HB ASP 19 HB1 ASP 19 1.395 0.171 -6.092 389 H LEU 20 HN LEU 20 1.779 0.654 -3.671 390 HA LEU 20 HA LEU 20 2.117 3.447 -3.929 391 1HB LEU 20 HB2 LEU 20 1.128 2.112 -1.432 392 2HB LEU 20 HB1 LEU 20 0.666 3.668 -2.094 393 HG LEU 20 HG LEU 20 -0.141 0.935 -3.060 394 1HD1 LEU 20 HD11 LEU 20 -1.566 3.311 -1.912 395 2HD1 LEU 20 HD12 LEU 20 -1.548 1.647 -1.331 396 3HD1 LEU 20 HD13 LEU 20 -2.416 2.054 -2.811 397 1HD2 LEU 20 HD21 LEU 20 -1.209 1.931 -4.951 398 2HD2 LEU 20 HD22 LEU 20 0.486 2.422 -4.970 399 3HD2 LEU 20 HD23 LEU 20 -0.754 3.552 -4.423 400 H GLN 21 HN GLN 21 3.272 1.160 -1.460 401 HA GLN 21 HA GLN 21 4.621 2.884 0.199 402 1HB GLN 21 HB2 GLN 21 4.307 0.294 0.294 403 2HB GLN 21 HB1 GLN 21 5.861 0.253 -0.527 404 1HG GLN 21 HG2 GLN 21 6.864 1.520 1.302 405 2HG GLN 21 HG1 GLN 21 5.307 1.565 2.125 406 1HE2 GLN 21 HE21 GLN 21 7.881 -0.539 1.001 407 2HE2 GLN 21 HE22 GLN 21 7.566 -1.828 2.108 408 H ALA 22 HN ALA 22 5.553 1.759 -2.970 409 HA ALA 22 HA ALA 22 8.277 2.580 -2.827 410 1HB ALA 22 HB1 ALA 22 8.469 1.835 -4.975 411 2HB ALA 22 HB2 ALA 22 6.883 2.448 -5.446 412 3HB ALA 22 HB3 ALA 22 7.009 0.966 -4.498 413 H LYS 23 HN LYS 23 5.311 4.069 -4.032 414 HA LYS 23 HA LYS 23 6.506 6.370 -5.140 415 1HB LYS 23 HB2 LYS 23 3.772 5.524 -4.399 416 2HB LYS 23 HB1 LYS 23 4.040 7.260 -4.475 417 1HG LYS 23 HG2 LYS 23 3.317 6.743 -6.609 418 2HG LYS 23 HG1 LYS 23 5.074 6.782 -6.784 419 1HD LYS 23 HD2 LYS 23 5.160 4.619 -7.345 420 2HD LYS 23 HD1 LYS 23 4.094 4.153 -6.019 421 1HE LYS 23 HE2 LYS 23 3.085 3.570 -8.142 422 2HE LYS 23 HE1 LYS 23 2.153 4.845 -7.358 423 1HZ LYS 23 HZ1 LYS 23 4.237 5.714 -9.193 424 2HZ LYS 23 HZ2 LYS 23 2.682 6.332 -8.949 425 3HZ LYS 23 HZ3 LYS 23 2.902 4.948 -9.896 426 H ARG 24 HN ARG 24 5.388 5.584 -1.910 427 HA ARG 24 HA ARG 24 5.482 8.178 -0.803 428 1HB ARG 24 HB2 ARG 24 4.319 6.360 0.303 429 2HB ARG 24 HB1 ARG 24 5.812 5.452 0.476 430 1HG ARG 24 HG2 ARG 24 4.991 6.593 2.550 431 2HG ARG 24 HG1 ARG 24 6.653 6.971 2.089 432 1HD ARG 24 HD2 ARG 24 6.185 9.130 1.723 433 2HD ARG 24 HD1 ARG 24 4.659 8.759 0.923 434 HE ARG 24 HE ARG 24 3.597 9.231 2.876 435 1HH1 ARG 24 HH11 ARG 24 6.910 8.426 3.619 436 2HH1 ARG 24 HH12 ARG 24 6.761 8.821 5.298 437 1HH2 ARG 24 HH21 ARG 24 3.400 9.761 5.077 438 2HH2 ARG 24 HH22 ARG 24 4.765 9.577 6.128 439 H THR 25 HN THR 25 7.897 5.553 -0.796 440 HA THR 25 HA THR 25 9.870 6.983 0.627 441 HB THR 25 HB THR 25 10.802 4.986 -1.331 442 HG1 THR 25 HG1 THR 25 8.986 4.283 0.730 443 1HG2 THR 25 HG21 THR 25 11.758 3.955 0.723 444 2HG2 THR 25 HG22 THR 25 11.088 5.304 1.642 445 3HG2 THR 25 HG23 THR 25 12.306 5.599 0.399 446 H ARG 26 HN ARG 26 9.652 6.272 -2.868 447 HA ARG 26 HA ARG 26 11.845 7.665 -3.749 448 1HB ARG 26 HB2 ARG 26 10.771 7.823 -5.903 449 2HB ARG 26 HB1 ARG 26 10.357 6.277 -5.177 450 1HG ARG 26 HG2 ARG 26 8.178 7.132 -4.543 451 2HG ARG 26 HG1 ARG 26 8.592 8.716 -5.200 452 1HD ARG 26 HD2 ARG 26 8.430 6.150 -6.777 453 2HD ARG 26 HD1 ARG 26 7.199 7.409 -6.743 454 HE ARG 26 HE ARG 26 8.530 8.733 -8.094 455 1HH1 ARG 26 HH11 ARG 26 10.285 5.873 -7.117 456 2HH1 ARG 26 HH12 ARG 26 11.557 6.113 -8.266 457 1HH2 ARG 26 HH21 ARG 26 10.205 9.045 -9.602 458 2HH2 ARG 26 HH22 ARG 26 11.513 7.912 -9.674 459 H LEU 27 HN LEU 27 8.638 8.918 -2.989 460 HA LEU 27 HA LEU 27 9.106 11.573 -3.835 461 1HB LEU 27 HB2 LEU 27 7.083 10.159 -2.215 462 2HB LEU 27 HB1 LEU 27 7.291 11.858 -1.826 463 HG LEU 27 HG LEU 27 5.478 11.345 -3.492 464 1HD1 LEU 27 HD11 LEU 27 7.668 13.300 -3.828 465 2HD1 LEU 27 HD12 LEU 27 5.941 13.556 -3.579 466 3HD1 LEU 27 HD13 LEU 27 6.547 13.118 -5.177 467 1HD2 LEU 27 HD21 LEU 27 6.390 9.652 -4.841 468 2HD2 LEU 27 HD22 LEU 27 7.871 10.563 -5.131 469 3HD2 LEU 27 HD23 LEU 27 6.357 11.085 -5.867 470 H VAL 28 HN VAL 28 9.619 9.877 -0.783 471 HA VAL 28 HA VAL 28 10.311 12.117 0.780 472 HB VAL 28 HB VAL 28 11.395 9.322 1.083 473 1HG1 VAL 28 HG11 VAL 28 10.998 11.534 3.093 474 2HG1 VAL 28 HG12 VAL 28 12.542 10.992 2.435 475 3HG1 VAL 28 HG13 VAL 28 11.588 9.911 3.451 476 1HG2 VAL 28 HG21 VAL 28 9.368 8.600 1.641 477 2HG2 VAL 28 HG22 VAL 28 8.705 10.172 1.195 478 3HG2 VAL 28 HG23 VAL 28 9.222 9.873 2.853 479 H GLN 29 HN GLN 29 12.227 9.931 -1.227 480 HA GLN 29 HA GLN 29 14.779 10.832 -0.625 481 1HB GLN 29 HB2 GLN 29 13.502 9.456 -2.900 482 2HB GLN 29 HB1 GLN 29 14.981 10.320 -3.300 483 1HG GLN 29 HG2 GLN 29 16.292 8.947 -2.042 484 2HG GLN 29 HG1 GLN 29 14.995 8.555 -0.914 485 1HE2 GLN 29 HE21 GLN 29 13.195 7.244 -1.862 486 2HE2 GLN 29 HE22 GLN 29 13.631 5.974 -2.950 487 H GLN 30 HN GLN 30 12.299 12.214 -2.669 488 HA GLN 30 HA GLN 30 13.928 14.191 -3.895 489 1HB GLN 30 HB2 GLN 30 10.939 14.072 -3.451 490 2HB GLN 30 HB1 GLN 30 11.743 15.300 -4.418 491 1HG GLN 30 HG2 GLN 30 12.731 13.096 -5.581 492 2HG GLN 30 HG1 GLN 30 11.176 12.474 -5.027 493 1HE2 GLN 30 HE21 GLN 30 10.668 12.245 -7.279 494 2HE2 GLN 30 HE22 GLN 30 10.111 13.609 -8.181 495 H HIS 31 HN HIS 31 12.179 13.977 -0.867 496 HA HIS 31 HA HIS 31 13.421 16.507 -0.067 497 1HB HIS 31 HB2 HIS 31 11.385 17.314 0.999 498 2HB HIS 31 HB1 HIS 31 11.121 17.073 -0.724 499 HD1 HIS 31 HD1 HIS 31 10.054 14.523 -1.211 500 HD2 HIS 31 HD2 HIS 31 9.369 16.299 2.476 501 HE1 HIS 31 HE1 HIS 31 8.024 13.380 -0.280 502 HE2 HIS 31 HE2 HIS 31 7.786 14.309 2.048 503 HA PRO 32 HA PRO 32 13.980 13.130 3.073 504 1HB PRO 32 HB2 PRO 32 16.608 13.649 3.524 505 2HB PRO 32 HB1 PRO 32 16.047 12.585 2.229 506 1HG PRO 32 HG2 PRO 32 16.889 15.455 2.091 507 2HG PRO 32 HG1 PRO 32 17.281 14.119 0.992 508 1HD PRO 32 HD2 PRO 32 15.365 15.945 0.433 509 2HD PRO 32 HD1 PRO 32 15.251 14.253 -0.096 510 H ARG 33 HN ARG 33 14.767 16.536 2.979 511 HA ARG 33 HA ARG 33 15.412 16.965 5.663 512 1HB ARG 33 HB2 ARG 33 13.932 18.868 3.841 513 2HB ARG 33 HB1 ARG 33 14.864 19.295 5.269 514 1HG ARG 33 HG2 ARG 33 15.956 18.118 2.721 515 2HG ARG 33 HG1 ARG 33 16.106 19.795 3.253 516 1HD ARG 33 HD2 ARG 33 17.042 18.257 5.389 517 2HD ARG 33 HD1 ARG 33 17.703 17.493 3.945 518 HE ARG 33 HE ARG 33 18.221 20.112 3.538 519 1HH1 ARG 33 HH11 ARG 33 18.838 17.956 6.212 520 2HH1 ARG 33 HH12 ARG 33 20.268 18.791 6.718 521 1HH2 ARG 33 HH21 ARG 33 20.103 21.210 4.201 522 2HH2 ARG 33 HH22 ARG 33 20.986 20.638 5.577 Start of MODEL 40 1 H CYS 1 HT1 CYS 1 13.779 23.475 -5.942 2 HA CYS 1 HA CYS 1 12.848 23.391 -3.877 3 1HB CYS 1 HB2 CYS 1 12.242 25.952 -5.341 4 2HB CYS 1 HB1 CYS 1 11.944 25.802 -3.613 5 HG CYS 1 HG CYS 1 14.626 25.177 -3.531 6 H GLY 2 HN GLY 2 10.849 24.369 -2.564 7 1HA GLY 2 HA2 GLY 2 8.291 24.535 -3.343 8 2HA GLY 2 HA1 GLY 2 8.572 22.805 -3.459 9 H GLY 3 HN GLY 3 10.463 22.901 -1.157 10 1HA GLY 3 HA2 GLY 3 10.413 23.062 1.175 11 2HA GLY 3 HA1 GLY 3 8.780 23.703 1.074 12 H ASP 4 HN ASP 4 7.417 22.422 2.117 13 HA ASP 4 HA ASP 4 7.931 19.556 2.256 14 1HB ASP 4 HB2 ASP 4 5.832 21.242 3.623 15 2HB ASP 4 HB1 ASP 4 6.129 19.533 3.927 16 H ASN 5 HN ASN 5 6.701 21.237 -0.080 17 HA ASN 5 HA ASN 5 4.067 20.510 -0.524 18 1HB ASN 5 HB2 ASN 5 5.413 22.066 -1.953 19 2HB ASN 5 HB1 ASN 5 6.227 20.663 -2.639 20 1HD2 ASN 5 HD21 ASN 5 2.845 21.387 -1.845 21 2HD2 ASN 5 HD22 ASN 5 2.223 21.035 -3.418 22 H ILE 6 HN ILE 6 6.972 18.647 -0.704 23 HA ILE 6 HA ILE 6 5.820 16.426 -2.121 24 HB ILE 6 HB ILE 6 8.345 16.436 -0.476 25 1HG1 ILE 6 HG12 ILE 6 8.056 17.132 -3.407 26 2HG1 ILE 6 HG11 ILE 6 8.325 18.307 -2.123 27 1HG2 ILE 6 HG21 ILE 6 7.419 14.258 -1.226 28 2HG2 ILE 6 HG22 ILE 6 9.025 14.612 -1.867 29 3HG2 ILE 6 HG23 ILE 6 7.604 14.803 -2.892 30 1HD1 ILE 6 HD11 ILE 6 10.253 16.087 -2.269 31 2HD1 ILE 6 HD12 ILE 6 10.509 17.801 -1.941 32 3HD1 ILE 6 HD13 ILE 6 10.285 17.245 -3.599 33 H GLU 7 HN GLU 7 6.714 17.181 1.210 34 HA GLU 7 HA GLU 7 6.103 14.749 2.413 35 1HB GLU 7 HB2 GLU 7 6.998 17.186 3.286 36 2HB GLU 7 HB1 GLU 7 5.391 17.120 3.999 37 1HG GLU 7 HG2 GLU 7 5.975 14.912 4.970 38 2HG GLU 7 HG1 GLU 7 7.615 15.127 4.360 39 H GLN 8 HN GLN 8 4.022 17.330 1.337 40 HA GLN 8 HA GLN 8 1.691 16.370 2.713 41 1HB GLN 8 HB2 GLN 8 2.326 18.765 1.661 42 2HB GLN 8 HB1 GLN 8 1.396 18.104 0.325 43 1HG GLN 8 HG2 GLN 8 -0.308 19.060 1.443 44 2HG GLN 8 HG1 GLN 8 -0.279 17.529 2.318 45 1HE2 GLN 8 HE21 GLN 8 -0.925 20.469 2.953 46 2HE2 GLN 8 HE22 GLN 8 -0.113 20.736 4.454 47 H LYS 9 HN LYS 9 3.018 16.153 -0.540 48 HA LYS 9 HA LYS 9 0.842 14.856 -1.757 49 1HB LYS 9 HB2 LYS 9 3.124 15.888 -2.699 50 2HB LYS 9 HB1 LYS 9 3.597 14.195 -2.656 51 1HG LYS 9 HG2 LYS 9 2.170 13.606 -4.323 52 2HG LYS 9 HG1 LYS 9 0.991 14.851 -3.905 53 1HD LYS 9 HD2 LYS 9 1.840 15.670 -5.886 54 2HD LYS 9 HD1 LYS 9 2.865 16.487 -4.704 55 1HE LYS 9 HE2 LYS 9 4.710 15.396 -5.375 56 2HE LYS 9 HE1 LYS 9 3.856 13.863 -5.546 57 1HZ LYS 9 HZ1 LYS 9 4.305 14.287 -7.713 58 2HZ LYS 9 HZ2 LYS 9 4.312 15.967 -7.520 59 3HZ LYS 9 HZ3 LYS 9 2.843 15.133 -7.608 60 H ILE 10 HN ILE 10 3.605 13.639 0.057 61 HA ILE 10 HA ILE 10 3.118 10.892 -0.521 62 HB ILE 10 HB ILE 10 4.564 10.456 1.478 63 1HG1 ILE 10 HG12 ILE 10 5.000 13.445 1.446 64 2HG1 ILE 10 HG11 ILE 10 4.019 12.605 2.643 65 1HG2 ILE 10 HG21 ILE 10 5.562 12.207 -0.752 66 2HG2 ILE 10 HG22 ILE 10 5.549 10.445 -0.682 67 3HG2 ILE 10 HG23 ILE 10 6.626 11.361 0.372 68 1HD1 ILE 10 HD11 ILE 10 5.989 11.317 3.326 69 2HD1 ILE 10 HD12 ILE 10 6.209 13.055 3.529 70 3HD1 ILE 10 HD13 ILE 10 6.961 12.224 2.167 71 H ASP 11 HN ASP 11 2.264 13.012 2.204 72 HA ASP 11 HA ASP 11 1.174 11.161 3.935 73 1HB ASP 11 HB2 ASP 11 1.417 13.722 4.201 74 2HB ASP 11 HB1 ASP 11 -0.165 13.813 3.434 75 H ASP 12 HN ASP 12 -0.125 12.511 0.997 76 HA ASP 12 HA ASP 12 -2.779 11.531 1.282 77 1HB ASP 12 HB2 ASP 12 -1.609 13.238 -0.458 78 2HB ASP 12 HB1 ASP 12 -1.640 11.782 -1.448 79 H ILE 13 HN ILE 13 0.121 10.332 -0.335 80 HA ILE 13 HA ILE 13 -0.971 7.964 -1.374 81 HB ILE 13 HB ILE 13 1.875 8.370 -0.451 82 1HG1 ILE 13 HG12 ILE 13 0.608 9.030 -3.116 83 2HG1 ILE 13 HG11 ILE 13 1.190 10.195 -1.932 84 1HG2 ILE 13 HG21 ILE 13 1.343 6.774 -2.842 85 2HG2 ILE 13 HG22 ILE 13 0.673 6.093 -1.361 86 3HG2 ILE 13 HG23 ILE 13 2.398 6.443 -1.469 87 1HD1 ILE 13 HD11 ILE 13 3.050 8.151 -3.048 88 2HD1 ILE 13 HD12 ILE 13 3.401 9.744 -2.380 89 3HD1 ILE 13 HD13 ILE 13 2.657 9.601 -3.973 90 H ASP 14 HN ASP 14 0.718 8.626 1.685 91 HA ASP 14 HA ASP 14 0.844 6.106 2.766 92 1HB ASP 14 HB2 ASP 14 1.490 8.518 3.700 93 2HB ASP 14 HB1 ASP 14 -0.021 8.305 4.579 94 H HIS 15 HN HIS 15 -1.951 8.176 2.414 95 HA HIS 15 HA HIS 15 -3.650 6.609 4.113 96 1HB HIS 15 HB2 HIS 15 -3.940 9.082 3.497 97 2HB HIS 15 HB1 HIS 15 -4.568 8.505 1.957 98 HD1 HIS 15 HD1 HIS 15 -5.421 6.592 5.032 99 HD2 HIS 15 HD2 HIS 15 -7.120 9.519 2.621 100 HE1 HIS 15 HE1 HIS 15 -7.836 6.712 5.720 101 HE2 HIS 15 HE2 HIS 15 -8.823 8.551 4.309 102 H GLU 16 HN GLU 16 -2.728 6.613 0.762 103 HA GLU 16 HA GLU 16 -4.854 4.820 -0.027 104 1HB GLU 16 HB2 GLU 16 -2.425 5.518 -1.662 105 2HB GLU 16 HB1 GLU 16 -4.012 5.011 -2.231 106 1HG GLU 16 HG2 GLU 16 -4.973 7.093 -1.737 107 2HG GLU 16 HG1 GLU 16 -3.603 7.580 -0.738 108 H ILE 17 HN ILE 17 -1.455 4.655 0.782 109 HA ILE 17 HA ILE 17 -0.935 2.039 -0.133 110 HB ILE 17 HB ILE 17 0.396 3.394 2.214 111 1HG1 ILE 17 HG12 ILE 17 1.484 3.539 -0.563 112 2HG1 ILE 17 HG11 ILE 17 0.204 4.654 -0.104 113 1HG2 ILE 17 HG21 ILE 17 1.429 1.404 2.266 114 2HG2 ILE 17 HG22 ILE 17 2.312 2.012 0.865 115 3HG2 ILE 17 HG23 ILE 17 0.901 0.976 0.639 116 1HD1 ILE 17 HD11 ILE 17 2.938 4.933 0.327 117 2HD1 ILE 17 HD12 ILE 17 2.246 4.585 1.911 118 3HD1 ILE 17 HD13 ILE 17 1.643 5.944 0.964 119 H ALA 18 HN ALA 18 -2.309 3.328 2.815 120 HA ALA 18 HA ALA 18 -2.234 0.827 4.237 121 1HB ALA 18 HB1 ALA 18 -2.513 3.482 4.963 122 2HB ALA 18 HB2 ALA 18 -2.662 2.083 6.027 123 3HB ALA 18 HB3 ALA 18 -4.100 2.784 5.286 124 H ASP 19 HN ASP 19 -4.613 2.668 2.399 125 HA ASP 19 HA ASP 19 -6.934 1.315 3.076 126 1HB ASP 19 HB2 ASP 19 -6.614 3.363 1.543 127 2HB ASP 19 HB1 ASP 19 -6.363 2.192 0.252 128 H LEU 20 HN LEU 20 -4.527 0.505 0.603 129 HA LEU 20 HA LEU 20 -5.887 -1.790 -0.360 130 1HB LEU 20 HB2 LEU 20 -2.915 -1.406 -0.492 131 2HB LEU 20 HB1 LEU 20 -3.955 -2.247 -1.623 132 HG LEU 20 HG LEU 20 -3.588 0.713 -1.273 133 1HD1 LEU 20 HD11 LEU 20 -3.194 -1.279 -3.473 134 2HD1 LEU 20 HD12 LEU 20 -2.049 -0.119 -2.801 135 3HD1 LEU 20 HD13 LEU 20 -3.376 0.441 -3.819 136 1HD2 LEU 20 HD21 LEU 20 -5.745 -0.596 -2.923 137 2HD2 LEU 20 HD22 LEU 20 -5.438 1.131 -2.740 138 3HD2 LEU 20 HD23 LEU 20 -6.022 0.188 -1.368 139 H GLN 21 HN GLN 21 -3.139 -1.399 1.865 140 HA GLN 21 HA GLN 21 -2.647 -4.055 2.436 141 1HB GLN 21 HB2 GLN 21 -1.442 -1.890 3.230 142 2HB GLN 21 HB1 GLN 21 -2.537 -1.980 4.603 143 1HG GLN 21 HG2 GLN 21 -1.449 -3.707 5.526 144 2HG GLN 21 HG1 GLN 21 -1.138 -4.479 3.972 145 1HE2 GLN 21 HE21 GLN 21 0.946 -4.713 3.647 146 2HE2 GLN 21 HE22 GLN 21 2.179 -3.572 4.047 147 H ALA 22 HN ALA 22 -5.230 -2.000 3.571 148 HA ALA 22 HA ALA 22 -6.079 -3.729 5.687 149 1HB ALA 22 HB1 ALA 22 -7.075 -1.247 4.423 150 2HB ALA 22 HB2 ALA 22 -6.870 -1.651 6.127 151 3HB ALA 22 HB3 ALA 22 -8.266 -2.260 5.237 152 H LYS 23 HN LYS 23 -6.828 -3.368 2.287 153 HA LYS 23 HA LYS 23 -9.162 -4.980 2.270 154 1HB LYS 23 HB2 LYS 23 -7.237 -4.112 0.124 155 2HB LYS 23 HB1 LYS 23 -8.600 -5.167 -0.225 156 1HG LYS 23 HG2 LYS 23 -10.162 -3.513 0.233 157 2HG LYS 23 HG1 LYS 23 -9.014 -2.554 1.171 158 1HD LYS 23 HD2 LYS 23 -7.741 -2.162 -0.947 159 2HD LYS 23 HD1 LYS 23 -9.060 -2.948 -1.818 160 1HE LYS 23 HE2 LYS 23 -10.614 -1.260 -0.842 161 2HE LYS 23 HE1 LYS 23 -9.214 -0.434 -0.161 162 1HZ LYS 23 HZ1 LYS 23 -8.391 -0.459 -2.596 163 2HZ LYS 23 HZ2 LYS 23 -9.543 0.686 -2.124 164 3HZ LYS 23 HZ3 LYS 23 -10.024 -0.693 -2.977 165 H ARG 24 HN ARG 24 -5.741 -5.672 2.071 166 HA ARG 24 HA ARG 24 -6.042 -8.361 1.147 167 1HB ARG 24 HB2 ARG 24 -3.862 -6.579 1.880 168 2HB ARG 24 HB1 ARG 24 -3.589 -8.220 2.452 169 1HG ARG 24 HG2 ARG 24 -4.298 -8.831 -0.010 170 2HG ARG 24 HG1 ARG 24 -3.769 -7.178 -0.320 171 1HD ARG 24 HD2 ARG 24 -1.646 -7.817 -0.281 172 2HD ARG 24 HD1 ARG 24 -1.847 -8.464 1.347 173 HE ARG 24 HE ARG 24 -2.725 -10.134 -0.872 174 1HH1 ARG 24 HH11 ARG 24 -0.271 -9.441 1.519 175 2HH1 ARG 24 HH12 ARG 24 0.450 -11.010 1.409 176 1HH2 ARG 24 HH21 ARG 24 -1.770 -12.193 -1.015 177 2HH2 ARG 24 HH22 ARG 24 -0.397 -12.570 -0.029 178 H THR 25 HN THR 25 -5.422 -6.892 4.321 179 HA THR 25 HA THR 25 -5.219 -9.270 5.787 180 HB THR 25 HB THR 25 -6.462 -6.928 7.105 181 HG1 THR 25 HG1 THR 25 -5.161 -5.664 6.004 182 1HG2 THR 25 HG21 THR 25 -4.513 -7.266 8.650 183 2HG2 THR 25 HG22 THR 25 -4.124 -8.707 7.711 184 3HG2 THR 25 HG23 THR 25 -5.665 -8.598 8.562 185 H ARG 26 HN ARG 26 -8.026 -7.103 5.398 186 HA ARG 26 HA ARG 26 -9.879 -8.531 6.855 187 1HB ARG 26 HB2 ARG 26 -11.591 -7.530 5.281 188 2HB ARG 26 HB1 ARG 26 -10.496 -6.387 6.046 189 1HG ARG 26 HG2 ARG 26 -10.205 -5.574 3.993 190 2HG ARG 26 HG1 ARG 26 -9.171 -6.980 3.733 191 1HD ARG 26 HD2 ARG 26 -10.777 -6.766 1.926 192 2HD ARG 26 HD1 ARG 26 -11.101 -8.221 2.867 193 HE ARG 26 HE ARG 26 -13.119 -7.333 3.493 194 1HH1 ARG 26 HH11 ARG 26 -11.150 -4.813 2.097 195 2HH1 ARG 26 HH12 ARG 26 -12.437 -3.656 2.058 196 1HH2 ARG 26 HH21 ARG 26 -14.814 -5.813 3.443 197 2HH2 ARG 26 HH22 ARG 26 -14.518 -4.223 2.822 198 H LEU 27 HN LEU 27 -8.979 -8.936 3.454 199 HA LEU 27 HA LEU 27 -10.804 -10.989 2.855 200 1HB LEU 27 HB2 LEU 27 -8.497 -9.762 1.601 201 2HB LEU 27 HB1 LEU 27 -8.512 -11.496 1.334 202 HG LEU 27 HG LEU 27 -10.882 -11.243 0.497 203 1HD1 LEU 27 HD11 LEU 27 -11.219 -8.820 -0.412 204 2HD1 LEU 27 HD12 LEU 27 -10.164 -8.381 0.932 205 3HD1 LEU 27 HD13 LEU 27 -11.684 -9.221 1.242 206 1HD2 LEU 27 HD21 LEU 27 -9.082 -11.582 -1.051 207 2HD2 LEU 27 HD22 LEU 27 -8.625 -9.880 -0.961 208 3HD2 LEU 27 HD23 LEU 27 -10.156 -10.345 -1.703 209 H VAL 28 HN VAL 28 -7.588 -11.006 4.293 210 HA VAL 28 HA VAL 28 -7.163 -13.794 4.222 211 HB VAL 28 HB VAL 28 -6.138 -11.870 6.305 212 1HG1 VAL 28 HG11 VAL 28 -5.022 -14.497 5.333 213 2HG1 VAL 28 HG12 VAL 28 -5.859 -14.241 6.865 214 3HG1 VAL 28 HG13 VAL 28 -4.310 -13.452 6.563 215 1HG2 VAL 28 HG21 VAL 28 -4.863 -10.909 4.759 216 2HG2 VAL 28 HG22 VAL 28 -5.662 -11.872 3.518 217 3HG2 VAL 28 HG23 VAL 28 -4.201 -12.478 4.300 218 H GLN 29 HN GLN 29 -8.616 -11.666 6.645 219 HA GLN 29 HA GLN 29 -9.052 -13.476 8.691 220 1HB GLN 29 HB2 GLN 29 -10.398 -10.985 7.781 221 2HB GLN 29 HB1 GLN 29 -11.277 -11.997 8.918 222 1HG GLN 29 HG2 GLN 29 -9.537 -11.819 10.537 223 2HG GLN 29 HG1 GLN 29 -8.475 -11.013 9.383 224 1HE2 GLN 29 HE21 GLN 29 -9.080 -8.890 8.655 225 2HE2 GLN 29 HE22 GLN 29 -10.005 -7.858 9.688 226 H GLN 30 HN GLN 30 -10.691 -13.082 5.646 227 HA GLN 30 HA GLN 30 -12.919 -14.768 6.290 228 1HB GLN 30 HB2 GLN 30 -11.842 -13.827 3.626 229 2HB GLN 30 HB1 GLN 30 -13.358 -14.688 3.844 230 1HG GLN 30 HG2 GLN 30 -13.580 -12.589 5.604 231 2HG GLN 30 HG1 GLN 30 -12.731 -11.879 4.231 232 1HE2 GLN 30 HE21 GLN 30 -14.151 -10.820 3.048 233 2HE2 GLN 30 HE22 GLN 30 -15.704 -11.400 2.561 234 H HIS 31 HN HIS 31 -9.707 -15.218 4.986 235 HA HIS 31 HA HIS 31 -10.129 -18.109 5.094 236 1HB HIS 31 HB2 HIS 31 -9.080 -18.503 2.946 237 2HB HIS 31 HB1 HIS 31 -10.470 -17.444 2.733 238 HD1 HIS 31 HD1 HIS 31 -9.791 -14.794 2.592 239 HD2 HIS 31 HD2 HIS 31 -6.806 -17.566 1.802 240 HE1 HIS 31 HE1 HIS 31 -8.026 -13.538 1.323 241 HE2 HIS 31 HE2 HIS 31 -6.147 -15.189 1.044 242 HA PRO 32 HA PRO 32 -6.064 -16.613 6.880 243 1HB PRO 32 HB2 PRO 32 -6.473 -17.363 9.437 244 2HB PRO 32 HB1 PRO 32 -7.038 -15.808 8.812 245 1HG PRO 32 HG2 PRO 32 -8.567 -18.345 9.242 246 2HG PRO 32 HG1 PRO 32 -9.042 -16.676 9.608 247 1HD PRO 32 HD2 PRO 32 -9.877 -18.021 7.385 248 2HD PRO 32 HD1 PRO 32 -9.693 -16.257 7.446 249 H ARG 33 HN ARG 33 -7.946 -19.553 7.248 250 HA ARG 33 HA ARG 33 -5.507 -21.117 7.683 251 1HB ARG 33 HB2 ARG 33 -8.435 -21.704 8.024 252 2HB ARG 33 HB1 ARG 33 -7.255 -23.007 7.951 253 1HG ARG 33 HG2 ARG 33 -7.421 -22.675 10.210 254 2HG ARG 33 HG1 ARG 33 -6.050 -21.636 9.815 255 1HD ARG 33 HD2 ARG 33 -7.178 -19.750 10.301 256 2HD ARG 33 HD1 ARG 33 -8.681 -20.348 9.601 257 HE ARG 33 HE ARG 33 -7.869 -20.499 12.353 258 1HH1 ARG 33 HH11 ARG 33 -9.895 -21.909 9.887 259 2HH1 ARG 33 HH12 ARG 33 -11.023 -22.574 11.019 260 1HH2 ARG 33 HH21 ARG 33 -9.352 -21.374 13.844 261 2HH2 ARG 33 HH22 ARG 33 -10.715 -22.272 13.265 262 H CYS 1 HN CYS 1 -6.901 -24.826 2.545 263 HA CYS 1 HA CYS 1 -5.025 -23.254 3.964 264 1HB CYS 1 HB2 CYS 1 -3.376 -24.143 2.368 265 2HB CYS 1 HB1 CYS 1 -4.423 -25.414 2.990 266 HG CYS 1 HG CYS 1 -5.635 -24.643 0.450 267 H GLY 2 HN GLY 2 -7.108 -21.695 2.638 268 1HA GLY 2 HA2 GLY 2 -7.220 -19.614 1.659 269 2HA GLY 2 HA1 GLY 2 -5.464 -19.604 1.617 270 H GLY 3 HN GLY 3 -4.563 -21.250 -0.083 271 1HA GLY 3 HA2 GLY 3 -4.966 -20.356 -2.606 272 2HA GLY 3 HA1 GLY 3 -4.474 -22.008 -2.269 273 H ASP 4 HN ASP 4 -7.043 -19.925 -3.245 274 HA ASP 4 HA ASP 4 -8.527 -22.149 -4.305 275 1HB ASP 4 HB2 ASP 4 -9.350 -22.193 -2.022 276 2HB ASP 4 HB1 ASP 4 -9.668 -20.459 -2.066 277 H ASN 5 HN ASN 5 -9.712 -19.014 -3.251 278 HA ASN 5 HA ASN 5 -9.597 -17.933 -5.951 279 1HB ASN 5 HB2 ASN 5 -12.131 -18.453 -4.406 280 2HB ASN 5 HB1 ASN 5 -12.044 -17.153 -5.592 281 1HD2 ASN 5 HD21 ASN 5 -10.860 -18.004 -7.693 282 2HD2 ASN 5 HD22 ASN 5 -11.547 -19.452 -8.336 283 H ILE 6 HN ILE 6 -10.503 -17.498 -2.571 284 HA ILE 6 HA ILE 6 -10.466 -14.675 -2.540 285 HB ILE 6 HB ILE 6 -9.684 -16.309 -0.148 286 1HG1 ILE 6 HG12 ILE 6 -12.413 -16.150 -1.426 287 2HG1 ILE 6 HG11 ILE 6 -11.524 -17.586 -0.929 288 1HG2 ILE 6 HG21 ILE 6 -11.404 -13.861 -0.452 289 2HG2 ILE 6 HG22 ILE 6 -9.696 -13.870 -0.017 290 3HG2 ILE 6 HG23 ILE 6 -10.884 -14.603 1.061 291 1HD1 ILE 6 HD11 ILE 6 -11.778 -16.321 1.439 292 2HD1 ILE 6 HD12 ILE 6 -12.916 -17.520 0.822 293 3HD1 ILE 6 HD13 ILE 6 -13.254 -15.800 0.627 294 H GLU 7 HN GLU 7 -8.082 -17.118 -1.643 295 HA GLU 7 HA GLU 7 -5.997 -15.474 -0.849 296 1HB GLU 7 HB2 GLU 7 -6.343 -18.176 -1.188 297 2HB GLU 7 HB1 GLU 7 -5.130 -17.806 -2.405 298 1HG GLU 7 HG2 GLU 7 -4.204 -16.457 -0.208 299 2HG GLU 7 HG1 GLU 7 -4.907 -17.912 0.496 300 H GLN 8 HN GLN 8 -7.101 -16.246 -4.069 301 HA GLN 8 HA GLN 8 -4.774 -15.208 -5.392 302 1HB GLN 8 HB2 GLN 8 -6.205 -16.928 -6.428 303 2HB GLN 8 HB1 GLN 8 -7.534 -15.778 -6.483 304 1HG GLN 8 HG2 GLN 8 -6.383 -16.051 -8.644 305 2HG GLN 8 HG1 GLN 8 -6.353 -14.394 -8.041 306 1HE2 GLN 8 HE21 GLN 8 -4.536 -16.879 -9.309 307 2HE2 GLN 8 HE22 GLN 8 -2.960 -16.285 -8.923 308 H LYS 9 HN LYS 9 -7.965 -14.010 -4.534 309 HA LYS 9 HA LYS 9 -7.921 -11.611 -5.973 310 1HB LYS 9 HB2 LYS 9 -9.870 -12.690 -4.709 311 2HB LYS 9 HB1 LYS 9 -9.211 -11.925 -3.270 312 1HG LYS 9 HG2 LYS 9 -9.979 -9.904 -3.843 313 2HG LYS 9 HG1 LYS 9 -9.543 -10.111 -5.540 314 1HD LYS 9 HD2 LYS 9 -11.836 -10.058 -5.687 315 2HD LYS 9 HD1 LYS 9 -11.556 -11.793 -5.530 316 1HE LYS 9 HE2 LYS 9 -11.947 -10.164 -3.066 317 2HE LYS 9 HE1 LYS 9 -13.353 -10.567 -4.052 318 1HZ LYS 9 HZ1 LYS 9 -13.281 -12.339 -2.634 319 2HZ LYS 9 HZ2 LYS 9 -11.593 -12.341 -2.514 320 3HZ LYS 9 HZ3 LYS 9 -12.343 -12.950 -3.903 321 H ILE 10 HN ILE 10 -6.682 -12.419 -2.767 322 HA ILE 10 HA ILE 10 -5.955 -9.758 -2.086 323 HB ILE 10 HB ILE 10 -4.443 -10.857 -0.400 324 1HG1 ILE 10 HG12 ILE 10 -5.834 -13.384 -1.302 325 2HG1 ILE 10 HG11 ILE 10 -4.160 -12.985 -1.675 326 1HG2 ILE 10 HG21 ILE 10 -6.849 -10.131 -0.073 327 2HG2 ILE 10 HG22 ILE 10 -6.215 -11.310 1.076 328 3HG2 ILE 10 HG23 ILE 10 -7.274 -11.836 -0.233 329 1HD1 ILE 10 HD11 ILE 10 -4.301 -14.519 0.194 330 2HD1 ILE 10 HD12 ILE 10 -5.310 -13.373 1.076 331 3HD1 ILE 10 HD13 ILE 10 -3.634 -12.969 0.706 332 H ASP 11 HN ASP 11 -4.158 -12.484 -3.495 333 HA ASP 11 HA ASP 11 -1.600 -11.465 -3.472 334 1HB ASP 11 HB2 ASP 11 -3.084 -13.266 -5.333 335 2HB ASP 11 HB1 ASP 11 -1.515 -12.659 -5.852 336 H ASP 12 HN ASP 12 -4.298 -10.633 -5.520 337 HA ASP 12 HA ASP 12 -2.862 -9.035 -7.383 338 1HB ASP 12 HB2 ASP 12 -5.539 -9.862 -7.027 339 2HB ASP 12 HB1 ASP 12 -5.568 -8.102 -7.003 340 H ILE 13 HN ILE 13 -4.696 -8.330 -4.443 341 HA ILE 13 HA ILE 13 -4.324 -5.549 -4.425 342 HB ILE 13 HB ILE 13 -4.554 -7.331 -1.999 343 1HG1 ILE 13 HG12 ILE 13 -6.707 -6.162 -3.769 344 2HG1 ILE 13 HG11 ILE 13 -6.358 -7.869 -3.520 345 1HG2 ILE 13 HG21 ILE 13 -5.870 -4.744 -1.926 346 2HG2 ILE 13 HG22 ILE 13 -4.130 -4.608 -2.174 347 3HG2 ILE 13 HG23 ILE 13 -4.756 -5.478 -0.774 348 1HD1 ILE 13 HD11 ILE 13 -7.927 -6.016 -1.903 349 2HD1 ILE 13 HD12 ILE 13 -6.821 -7.030 -0.977 350 3HD1 ILE 13 HD13 ILE 13 -8.019 -7.772 -2.037 351 H ASP 14 HN ASP 14 -2.443 -8.169 -2.927 352 HA ASP 14 HA ASP 14 -0.558 -6.745 -1.537 353 1HB ASP 14 HB2 ASP 14 -0.890 -9.369 -2.136 354 2HB ASP 14 HB1 ASP 14 0.531 -8.998 -3.108 355 H HIS 15 HN HIS 15 -0.796 -7.210 -4.999 356 HA HIS 15 HA HIS 15 1.803 -6.149 -5.579 357 1HB HIS 15 HB2 HIS 15 0.239 -7.694 -7.024 358 2HB HIS 15 HB1 HIS 15 -0.430 -6.162 -7.576 359 HD1 HIS 15 HD1 HIS 15 2.755 -5.052 -7.211 360 HD2 HIS 15 HD2 HIS 15 1.141 -7.890 -9.781 361 HE1 HIS 15 HE1 HIS 15 4.362 -5.203 -9.140 362 HE2 HIS 15 HE2 HIS 15 3.410 -6.992 -10.637 363 H GLU 16 HN GLU 16 -1.404 -4.879 -5.138 364 HA GLU 16 HA GLU 16 -0.743 -2.295 -6.249 365 1HB GLU 16 HB2 GLU 16 -3.187 -2.939 -4.617 366 2HB GLU 16 HB1 GLU 16 -2.993 -1.694 -5.845 367 1HG GLU 16 HG2 GLU 16 -2.776 -4.599 -6.536 368 2HG GLU 16 HG1 GLU 16 -4.342 -3.796 -6.424 369 H ILE 17 HN ILE 17 -1.028 -3.788 -3.099 370 HA ILE 17 HA ILE 17 -0.998 -1.460 -1.517 371 HB ILE 17 HB ILE 17 0.152 -4.145 -0.747 372 1HG1 ILE 17 HG12 ILE 17 -2.660 -3.345 -0.136 373 2HG1 ILE 17 HG11 ILE 17 -2.295 -3.995 -1.729 374 1HG2 ILE 17 HG21 ILE 17 0.640 -2.973 1.101 375 2HG2 ILE 17 HG22 ILE 17 -1.084 -3.107 1.449 376 3HG2 ILE 17 HG23 ILE 17 -0.451 -1.656 0.672 377 1HD1 ILE 17 HD11 ILE 17 -2.298 -6.056 -0.935 378 2HD1 ILE 17 HD12 ILE 17 -2.843 -5.408 0.611 379 3HD1 ILE 17 HD13 ILE 17 -1.121 -5.636 0.307 380 H ALA 18 HN ALA 18 1.528 -3.386 -2.995 381 HA ALA 18 HA ALA 18 3.685 -2.064 -1.629 382 1HB ALA 18 HB1 ALA 18 4.882 -3.299 -3.718 383 2HB ALA 18 HB2 ALA 18 3.398 -4.244 -3.582 384 3HB ALA 18 HB3 ALA 18 4.478 -4.092 -2.194 385 H ASP 19 HN ASP 19 2.100 -1.801 -4.768 386 HA ASP 19 HA ASP 19 3.914 -0.184 -6.104 387 1HB ASP 19 HB2 ASP 19 1.492 -1.205 -6.723 388 2HB ASP 19 HB1 ASP 19 1.050 0.481 -6.471 389 H LEU 20 HN LEU 20 1.275 0.759 -3.927 390 HA LEU 20 HA LEU 20 1.690 3.546 -4.157 391 1HB LEU 20 HB2 LEU 20 0.553 2.212 -1.723 392 2HB LEU 20 HB1 LEU 20 0.172 3.792 -2.378 393 HG LEU 20 HG LEU 20 -0.687 1.103 -3.407 394 1HD1 LEU 20 HD11 LEU 20 -2.099 3.547 -2.383 395 2HD1 LEU 20 HD12 LEU 20 -2.130 1.911 -1.729 396 3HD1 LEU 20 HD13 LEU 20 -2.926 2.263 -3.263 397 1HD2 LEU 20 HD21 LEU 20 -0.468 1.937 -5.476 398 2HD2 LEU 20 HD22 LEU 20 -0.266 3.589 -4.895 399 3HD2 LEU 20 HD23 LEU 20 -1.883 2.906 -5.067 400 H GLN 21 HN GLN 21 2.683 1.218 -1.654 401 HA GLN 21 HA GLN 21 4.003 2.925 0.057 402 1HB GLN 21 HB2 GLN 21 3.577 0.377 0.226 403 2HB GLN 21 HB1 GLN 21 5.127 0.213 -0.589 404 1HG GLN 21 HG2 GLN 21 5.905 1.852 1.328 405 2HG GLN 21 HG1 GLN 21 4.510 1.160 2.153 406 1HE2 GLN 21 HE21 GLN 21 7.621 0.924 2.208 407 2HE2 GLN 21 HE22 GLN 21 7.860 -0.777 2.396 408 H ALA 22 HN ALA 22 5.084 1.648 -3.020 409 HA ALA 22 HA ALA 22 7.814 2.408 -2.746 410 1HB ALA 22 HB1 ALA 22 6.084 1.396 -4.917 411 2HB ALA 22 HB2 ALA 22 7.676 0.854 -4.387 412 3HB ALA 22 HB3 ALA 22 7.525 2.287 -5.404 413 H LYS 23 HN LYS 23 4.935 3.980 -4.002 414 HA LYS 23 HA LYS 23 6.239 6.165 -5.236 415 1HB LYS 23 HB2 LYS 23 3.478 5.449 -4.495 416 2HB LYS 23 HB1 LYS 23 3.799 7.176 -4.572 417 1HG LYS 23 HG2 LYS 23 3.154 6.793 -6.722 418 2HG LYS 23 HG1 LYS 23 4.894 6.539 -6.876 419 1HD LYS 23 HD2 LYS 23 4.051 4.682 -7.958 420 2HD LYS 23 HD1 LYS 23 4.301 4.061 -6.325 421 1HE LYS 23 HE2 LYS 23 2.158 3.320 -6.977 422 2HE LYS 23 HE1 LYS 23 1.888 4.664 -5.869 423 1HZ LYS 23 HZ1 LYS 23 0.512 4.647 -7.959 424 2HZ LYS 23 HZ2 LYS 23 1.926 5.018 -8.808 425 3HZ LYS 23 HZ3 LYS 23 1.339 6.087 -7.637 426 H ARG 24 HN ARG 24 5.135 5.570 -1.958 427 HA ARG 24 HA ARG 24 5.398 8.240 -1.028 428 1HB ARG 24 HB2 ARG 24 4.769 5.641 0.090 429 2HB ARG 24 HB1 ARG 24 5.817 6.554 1.166 430 1HG ARG 24 HG2 ARG 24 4.101 8.481 0.675 431 2HG ARG 24 HG1 ARG 24 3.042 7.126 0.281 432 1HD ARG 24 HD2 ARG 24 2.661 6.796 2.439 433 2HD ARG 24 HD1 ARG 24 4.379 6.501 2.698 434 HE ARG 24 HE ARG 24 3.559 9.281 2.621 435 1HH1 ARG 24 HH11 ARG 24 4.267 6.494 4.603 436 2HH1 ARG 24 HH12 ARG 24 4.562 7.430 6.028 437 1HH2 ARG 24 HH21 ARG 24 3.943 10.509 4.496 438 2HH2 ARG 24 HH22 ARG 24 4.376 9.708 5.970 439 H THR 25 HN THR 25 7.557 5.421 -0.896 440 HA THR 25 HA THR 25 9.618 6.609 0.581 441 HB THR 25 HB THR 25 10.427 4.675 -1.491 442 HG1 THR 25 HG1 THR 25 8.815 3.392 -1.187 443 1HG2 THR 25 HG21 THR 25 10.827 5.038 1.430 444 2HG2 THR 25 HG22 THR 25 12.012 4.797 0.146 445 3HG2 THR 25 HG23 THR 25 11.047 3.438 0.722 446 H ARG 26 HN ARG 26 9.360 6.171 -2.950 447 HA ARG 26 HA ARG 26 11.683 7.444 -3.708 448 1HB ARG 26 HB2 ARG 26 10.651 7.819 -5.870 449 2HB ARG 26 HB1 ARG 26 10.177 6.242 -5.256 450 1HG ARG 26 HG2 ARG 26 8.006 7.047 -4.668 451 2HG ARG 26 HG1 ARG 26 8.468 8.710 -5.039 452 1HD ARG 26 HD2 ARG 26 8.868 6.803 -7.234 453 2HD ARG 26 HD1 ARG 26 7.187 7.031 -6.755 454 HE ARG 26 HE ARG 26 8.105 9.562 -6.968 455 1HH1 ARG 26 HH11 ARG 26 8.197 6.812 -9.116 456 2HH1 ARG 26 HH12 ARG 26 8.168 7.775 -10.554 457 1HH2 ARG 26 HH21 ARG 26 8.066 10.831 -8.859 458 2HH2 ARG 26 HH22 ARG 26 8.094 10.058 -10.408 459 H LEU 27 HN LEU 27 8.541 8.874 -2.961 460 HA LEU 27 HA LEU 27 9.238 11.530 -3.626 461 1HB LEU 27 HB2 LEU 27 7.083 10.236 -2.026 462 2HB LEU 27 HB1 LEU 27 7.340 11.959 -1.822 463 HG LEU 27 HG LEU 27 6.941 10.759 -4.547 464 1HD1 LEU 27 HD11 LEU 27 4.970 10.055 -3.560 465 2HD1 LEU 27 HD12 LEU 27 4.537 11.644 -4.192 466 3HD1 LEU 27 HD13 LEU 27 4.895 11.445 -2.477 467 1HD2 LEU 27 HD21 LEU 27 6.201 13.501 -3.586 468 2HD2 LEU 27 HD22 LEU 27 6.486 12.941 -5.234 469 3HD2 LEU 27 HD23 LEU 27 7.839 13.123 -4.118 470 H VAL 28 HN VAL 28 9.561 9.598 -0.701 471 HA VAL 28 HA VAL 28 10.316 11.707 1.031 472 HB VAL 28 HB VAL 28 11.205 8.834 1.227 473 1HG1 VAL 28 HG11 VAL 28 11.275 9.307 3.644 474 2HG1 VAL 28 HG12 VAL 28 10.866 10.989 3.307 475 3HG1 VAL 28 HG13 VAL 28 12.389 10.318 2.725 476 1HG2 VAL 28 HG21 VAL 28 9.106 8.216 1.620 477 2HG2 VAL 28 HG22 VAL 28 8.562 9.859 1.285 478 3HG2 VAL 28 HG23 VAL 28 8.994 9.391 2.929 479 H GLN 29 HN GLN 29 12.137 9.505 -1.043 480 HA GLN 29 HA GLN 29 14.727 10.162 -0.313 481 1HB GLN 29 HB2 GLN 29 13.467 8.772 -2.449 482 2HB GLN 29 HB1 GLN 29 14.614 9.896 -3.166 483 1HG GLN 29 HG2 GLN 29 16.203 8.414 -2.762 484 2HG GLN 29 HG1 GLN 29 15.983 8.730 -1.041 485 1HE2 GLN 29 HE21 GLN 29 16.332 6.715 -0.275 486 2HE2 GLN 29 HE22 GLN 29 15.337 5.350 -0.641 487 H GLN 30 HN GLN 30 12.413 11.888 -2.279 488 HA GLN 30 HA GLN 30 14.235 13.827 -3.300 489 1HB GLN 30 HB2 GLN 30 11.262 13.551 -3.174 490 2HB GLN 30 HB1 GLN 30 11.945 15.128 -3.544 491 1HG GLN 30 HG2 GLN 30 13.206 13.085 -5.125 492 2HG GLN 30 HG1 GLN 30 11.454 13.028 -5.310 493 1HE2 GLN 30 HE21 GLN 30 10.382 15.063 -5.856 494 2HE2 GLN 30 HE22 GLN 30 11.209 16.193 -6.867 495 H HIS 31 HN HIS 31 12.280 13.532 -0.401 496 HA HIS 31 HA HIS 31 13.629 15.913 0.651 497 1HB HIS 31 HB2 HIS 31 11.607 16.786 1.649 498 2HB HIS 31 HB1 HIS 31 11.361 16.598 -0.083 499 HD1 HIS 31 HD1 HIS 31 10.277 13.993 -0.565 500 HD2 HIS 31 HD2 HIS 31 9.425 15.956 2.990 501 HE1 HIS 31 HE1 HIS 31 8.165 12.946 0.292 502 HE2 HIS 31 HE2 HIS 31 7.815 13.989 2.556 503 HA PRO 32 HA PRO 32 13.765 12.283 3.564 504 1HB PRO 32 HB2 PRO 32 16.440 12.283 3.940 505 2HB PRO 32 HB1 PRO 32 15.676 11.449 2.583 506 1HG PRO 32 HG2 PRO 32 17.020 14.122 2.647 507 2HG PRO 32 HG1 PRO 32 17.145 12.837 1.432 508 1HD PRO 32 HD2 PRO 32 15.568 15.027 1.112 509 2HD PRO 32 HD1 PRO 32 15.182 13.448 0.402 510 H ARG 33 HN ARG 33 15.222 15.472 3.594 511 HA ARG 33 HA ARG 33 14.816 15.569 6.509 512 1HB ARG 33 HB2 ARG 33 17.066 16.897 4.988 513 2HB ARG 33 HB1 ARG 33 16.794 16.985 6.723 514 1HG ARG 33 HG2 ARG 33 17.807 15.036 7.089 515 2HG ARG 33 HG1 ARG 33 16.973 14.251 5.746 516 1HD ARG 33 HD2 ARG 33 18.637 14.711 4.264 517 2HD ARG 33 HD1 ARG 33 19.087 16.214 5.069 518 HE ARG 33 HE ARG 33 20.670 15.043 6.208 519 1HH1 ARG 33 HH11 ARG 33 18.214 12.797 5.158 520 2HH1 ARG 33 HH12 ARG 33 19.056 11.406 5.751 521 1HH2 ARG 33 HH21 ARG 33 21.781 13.214 6.986 522 2HH2 ARG 33 HH22 ARG 33 21.081 11.641 6.789 Start of MODEL 41 1 H CYS 1 HT1 CYS 1 10.921 22.883 2.653 2 HA CYS 1 HA CYS 1 12.234 21.568 1.340 3 1HB CYS 1 HB2 CYS 1 13.518 20.961 3.951 4 2HB CYS 1 HB1 CYS 1 13.540 19.682 2.742 5 HG CYS 1 HG CYS 1 15.499 21.800 2.793 6 H GLY 2 HN GLY 2 9.602 21.387 2.699 7 1HA GLY 2 HA2 GLY 2 8.987 18.688 1.877 8 2HA GLY 2 HA1 GLY 2 8.790 18.968 3.601 9 H GLY 3 HN GLY 3 7.190 20.476 4.314 10 1HA GLY 3 HA2 GLY 3 4.723 20.301 3.126 11 2HA GLY 3 HA1 GLY 3 5.183 21.606 4.209 12 H ASP 4 HN ASP 4 4.679 20.647 0.920 13 HA ASP 4 HA ASP 4 4.426 23.388 0.097 14 1HB ASP 4 HB2 ASP 4 6.834 23.167 -0.090 15 2HB ASP 4 HB1 ASP 4 6.661 21.662 -0.993 16 H ASN 5 HN ASN 5 5.362 20.597 -1.821 17 HA ASN 5 HA ASN 5 2.632 20.180 -2.745 18 1HB ASN 5 HB2 ASN 5 4.341 21.759 -4.234 19 2HB ASN 5 HB1 ASN 5 4.559 20.169 -4.958 20 1HD2 ASN 5 HD21 ASN 5 1.983 19.161 -4.554 21 2HD2 ASN 5 HD22 ASN 5 0.891 20.035 -5.569 22 H ILE 6 HN ILE 6 6.031 19.254 -2.901 23 HA ILE 6 HA ILE 6 5.633 16.604 -3.810 24 HB ILE 6 HB ILE 6 7.918 17.310 -2.007 25 1HG1 ILE 6 HG12 ILE 6 7.478 18.337 -4.812 26 2HG1 ILE 6 HG11 ILE 6 7.897 19.256 -3.369 27 1HG2 ILE 6 HG21 ILE 6 7.622 15.042 -2.940 28 2HG2 ILE 6 HG22 ILE 6 9.144 15.806 -3.398 29 3HG2 ILE 6 HG23 ILE 6 7.817 15.720 -4.557 30 1HD1 ILE 6 HD11 ILE 6 9.982 17.455 -3.667 31 2HD1 ILE 6 HD12 ILE 6 9.996 19.174 -4.065 32 3HD1 ILE 6 HD13 ILE 6 9.609 17.983 -5.308 33 H GLU 7 HN GLU 7 6.221 17.988 -0.615 34 HA GLU 7 HA GLU 7 6.010 15.629 0.879 35 1HB GLU 7 HB2 GLU 7 6.927 17.670 1.824 36 2HB GLU 7 HB1 GLU 7 5.371 18.476 1.672 37 1HG GLU 7 HG2 GLU 7 5.320 15.990 3.225 38 2HG GLU 7 HG1 GLU 7 6.293 17.283 3.924 39 H GLN 8 HN GLN 8 3.557 17.759 -0.409 40 HA GLN 8 HA GLN 8 1.414 16.602 1.121 41 1HB GLN 8 HB2 GLN 8 1.471 18.963 0.167 42 2HB GLN 8 HB1 GLN 8 1.147 18.234 -1.400 43 1HG GLN 8 HG2 GLN 8 -0.943 18.899 -0.626 44 2HG GLN 8 HG1 GLN 8 -0.887 17.168 -0.294 45 1HE2 GLN 8 HE21 GLN 8 -1.393 20.237 0.988 46 2HE2 GLN 8 HE22 GLN 8 -1.453 19.807 2.660 47 H LYS 9 HN LYS 9 2.828 16.164 -2.054 48 HA LYS 9 HA LYS 9 0.826 14.595 -3.219 49 1HB LYS 9 HB2 LYS 9 3.672 15.150 -3.725 50 2HB LYS 9 HB1 LYS 9 3.111 13.599 -4.333 51 1HG LYS 9 HG2 LYS 9 1.403 14.673 -5.643 52 2HG LYS 9 HG1 LYS 9 1.813 16.244 -4.949 53 1HD LYS 9 HD2 LYS 9 2.824 16.135 -7.105 54 2HD LYS 9 HD1 LYS 9 4.113 15.961 -5.912 55 1HE LYS 9 HE2 LYS 9 4.713 14.198 -7.172 56 2HE LYS 9 HE1 LYS 9 3.427 13.371 -6.294 57 1HZ LYS 9 HZ1 LYS 9 3.493 14.294 -9.060 58 2HZ LYS 9 HZ2 LYS 9 2.011 14.412 -8.254 59 3HZ LYS 9 HZ3 LYS 9 2.778 12.912 -8.397 60 H ILE 10 HN ILE 10 3.532 13.739 -1.127 61 HA ILE 10 HA ILE 10 3.173 10.923 -1.365 62 HB ILE 10 HB ILE 10 4.531 10.815 0.743 63 1HG1 ILE 10 HG12 ILE 10 4.880 13.783 0.314 64 2HG1 ILE 10 HG11 ILE 10 3.847 13.090 1.560 65 1HG2 ILE 10 HG21 ILE 10 6.485 10.999 -0.434 66 2HG2 ILE 10 HG22 ILE 10 6.000 12.506 -1.212 67 3HG2 ILE 10 HG23 ILE 10 5.319 10.973 -1.756 68 1HD1 ILE 10 HD11 ILE 10 6.030 13.771 2.421 69 2HD1 ILE 10 HD12 ILE 10 6.809 12.636 1.319 70 3HD1 ILE 10 HD13 ILE 10 5.754 12.038 2.600 71 H ASP 11 HN ASP 11 2.098 13.335 1.017 72 HA ASP 11 HA ASP 11 1.010 11.685 2.937 73 1HB ASP 11 HB2 ASP 11 1.106 14.287 2.795 74 2HB ASP 11 HB1 ASP 11 -0.477 14.138 2.038 75 H ASP 12 HN ASP 12 -0.208 12.528 -0.217 76 HA ASP 12 HA ASP 12 -2.819 11.440 0.110 77 1HB ASP 12 HB2 ASP 12 -1.732 13.009 -1.775 78 2HB ASP 12 HB1 ASP 12 -1.549 11.456 -2.584 79 H ILE 13 HN ILE 13 0.198 10.234 -1.281 80 HA ILE 13 HA ILE 13 -0.722 7.699 -2.044 81 HB ILE 13 HB ILE 13 2.066 8.358 -1.097 82 1HG1 ILE 13 HG12 ILE 13 0.790 8.734 -3.811 83 2HG1 ILE 13 HG11 ILE 13 1.442 9.989 -2.763 84 1HG2 ILE 13 HG21 ILE 13 1.735 6.499 -3.315 85 2HG2 ILE 13 HG22 ILE 13 0.977 5.943 -1.825 86 3HG2 ILE 13 HG23 ILE 13 2.693 6.347 -1.842 87 1HD1 ILE 13 HD11 ILE 13 3.666 9.249 -3.128 88 2HD1 ILE 13 HD12 ILE 13 2.881 9.372 -4.702 89 3HD1 ILE 13 HD13 ILE 13 3.109 7.793 -3.952 90 H ASP 14 HN ASP 14 0.870 8.782 0.953 91 HA ASP 14 HA ASP 14 1.068 6.407 2.312 92 1HB ASP 14 HB2 ASP 14 1.563 8.965 2.968 93 2HB ASP 14 HB1 ASP 14 0.082 8.721 3.891 94 H HIS 15 HN HIS 15 -1.800 8.335 1.731 95 HA HIS 15 HA HIS 15 -3.461 6.898 3.569 96 1HB HIS 15 HB2 HIS 15 -3.838 9.266 2.657 97 2HB HIS 15 HB1 HIS 15 -4.422 8.485 1.192 98 HD1 HIS 15 HD1 HIS 15 -5.461 6.389 3.867 99 HD2 HIS 15 HD2 HIS 15 -6.798 10.002 2.310 100 HE1 HIS 15 HE1 HIS 15 -7.831 6.629 4.668 101 HE2 HIS 15 HE2 HIS 15 -8.591 8.864 3.787 102 H GLU 16 HN GLU 16 -2.475 6.535 0.263 103 HA GLU 16 HA GLU 16 -4.520 4.583 -0.339 104 1HB GLU 16 HB2 GLU 16 -2.096 5.198 -2.016 105 2HB GLU 16 HB1 GLU 16 -3.648 4.558 -2.542 106 1HG GLU 16 HG2 GLU 16 -3.494 7.268 -1.300 107 2HG GLU 16 HG1 GLU 16 -3.041 7.039 -2.989 108 H ILE 17 HN ILE 17 -1.088 4.648 0.404 109 HA ILE 17 HA ILE 17 -0.458 1.979 -0.166 110 HB ILE 17 HB ILE 17 0.781 3.628 2.038 111 1HG1 ILE 17 HG12 ILE 17 1.895 3.554 -0.732 112 2HG1 ILE 17 HG11 ILE 17 0.557 4.645 -0.396 113 1HG2 ILE 17 HG21 ILE 17 1.417 1.094 0.712 114 2HG2 ILE 17 HG22 ILE 17 1.909 1.707 2.291 115 3HG2 ILE 17 HG23 ILE 17 2.774 2.214 0.838 116 1HD1 ILE 17 HD11 ILE 17 2.579 4.870 1.631 117 2HD1 ILE 17 HD12 ILE 17 1.917 6.102 0.558 118 3HD1 ILE 17 HD13 ILE 17 3.268 5.102 0.025 119 H ALA 18 HN ALA 18 -1.949 3.501 2.603 120 HA ALA 18 HA ALA 18 -1.772 1.168 4.282 121 1HB ALA 18 HB1 ALA 18 -2.273 3.900 4.679 122 2HB ALA 18 HB2 ALA 18 -2.184 2.631 5.901 123 3HB ALA 18 HB3 ALA 18 -3.738 3.056 5.184 124 H ASP 19 HN ASP 19 -4.249 2.755 2.324 125 HA ASP 19 HA ASP 19 -6.475 1.294 3.104 126 1HB ASP 19 HB2 ASP 19 -5.689 2.779 0.652 127 2HB ASP 19 HB1 ASP 19 -7.055 1.676 0.514 128 H LEU 20 HN LEU 20 -4.056 0.532 0.626 129 HA LEU 20 HA LEU 20 -5.280 -1.852 -0.272 130 1HB LEU 20 HB2 LEU 20 -2.336 -1.234 -0.350 131 2HB LEU 20 HB1 LEU 20 -3.227 -2.311 -1.406 132 HG LEU 20 HG LEU 20 -3.174 0.685 -1.394 133 1HD1 LEU 20 HD11 LEU 20 -1.569 -0.558 -2.774 134 2HD1 LEU 20 HD12 LEU 20 -2.696 0.386 -3.747 135 3HD1 LEU 20 HD13 LEU 20 -2.910 -1.357 -3.592 136 1HD2 LEU 20 HD21 LEU 20 -5.346 -1.105 -2.433 137 2HD2 LEU 20 HD22 LEU 20 -5.009 0.461 -3.171 138 3HD2 LEU 20 HD23 LEU 20 -5.488 0.370 -1.476 139 H GLN 21 HN GLN 21 -2.543 -1.329 1.949 140 HA GLN 21 HA GLN 21 -1.965 -3.931 2.602 141 1HB GLN 21 HB2 GLN 21 -1.159 -1.471 3.508 142 2HB GLN 21 HB1 GLN 21 -1.948 -2.141 4.928 143 1HG GLN 21 HG2 GLN 21 -0.126 -3.983 3.561 144 2HG GLN 21 HG1 GLN 21 0.641 -2.553 4.249 145 1HE2 GLN 21 HE21 GLN 21 -1.290 -5.384 4.950 146 2HE2 GLN 21 HE22 GLN 21 -0.941 -5.442 6.641 147 H ALA 22 HN ALA 22 -4.554 -1.913 3.879 148 HA ALA 22 HA ALA 22 -5.389 -3.645 5.938 149 1HB ALA 22 HB1 ALA 22 -7.671 -2.379 5.372 150 2HB ALA 22 HB2 ALA 22 -6.547 -1.323 4.518 151 3HB ALA 22 HB3 ALA 22 -6.346 -1.612 6.245 152 H LYS 23 HN LYS 23 -6.451 -3.300 2.579 153 HA LYS 23 HA LYS 23 -8.516 -5.178 2.620 154 1HB LYS 23 HB2 LYS 23 -6.685 -4.484 0.317 155 2HB LYS 23 HB1 LYS 23 -8.246 -5.281 0.183 156 1HG LYS 23 HG2 LYS 23 -9.403 -3.365 0.451 157 2HG LYS 23 HG1 LYS 23 -8.235 -2.690 1.588 158 1HD LYS 23 HD2 LYS 23 -7.216 -1.544 -0.031 159 2HD LYS 23 HD1 LYS 23 -7.076 -2.981 -1.044 160 1HE LYS 23 HE2 LYS 23 -8.353 -1.305 -2.209 161 2HE LYS 23 HE1 LYS 23 -9.413 -2.644 -1.774 162 1HZ LYS 23 HZ1 LYS 23 -9.194 -0.289 -0.016 163 2HZ LYS 23 HZ2 LYS 23 -10.464 -1.396 -0.159 164 3HZ LYS 23 HZ3 LYS 23 -10.205 -0.247 -1.372 165 H ARG 24 HN ARG 24 -5.049 -5.588 2.257 166 HA ARG 24 HA ARG 24 -5.177 -8.331 1.469 167 1HB ARG 24 HB2 ARG 24 -3.240 -6.944 0.925 168 2HB ARG 24 HB1 ARG 24 -2.898 -6.722 2.635 169 1HG ARG 24 HG2 ARG 24 -1.843 -8.681 2.798 170 2HG ARG 24 HG1 ARG 24 -3.062 -9.524 1.840 171 1HD ARG 24 HD2 ARG 24 -1.865 -7.998 -0.058 172 2HD ARG 24 HD1 ARG 24 -0.509 -8.315 1.023 173 HE ARG 24 HE ARG 24 -1.782 -10.176 -0.729 174 1HH1 ARG 24 HH11 ARG 24 -0.082 -9.889 2.304 175 2HH1 ARG 24 HH12 ARG 24 0.497 -11.521 2.278 176 1HH2 ARG 24 HH21 ARG 24 -1.022 -12.322 -0.766 177 2HH2 ARG 24 HH22 ARG 24 -0.036 -12.903 0.534 178 H THR 25 HN THR 25 -4.619 -6.659 4.544 179 HA THR 25 HA THR 25 -4.094 -8.961 6.083 180 HB THR 25 HB THR 25 -5.447 -6.671 7.383 181 HG1 THR 25 HG1 THR 25 -4.314 -5.396 6.091 182 1HG2 THR 25 HG21 THR 25 -4.427 -7.606 9.106 183 2HG2 THR 25 HG22 THR 25 -2.912 -7.002 8.436 184 3HG2 THR 25 HG23 THR 25 -3.454 -8.637 8.059 185 H ARG 26 HN ARG 26 -7.086 -7.021 5.849 186 HA ARG 26 HA ARG 26 -8.720 -8.558 7.436 187 1HB ARG 26 HB2 ARG 26 -10.595 -7.769 5.867 188 2HB ARG 26 HB1 ARG 26 -9.635 -6.541 6.680 189 1HG ARG 26 HG2 ARG 26 -9.108 -5.632 4.739 190 2HG ARG 26 HG1 ARG 26 -8.393 -7.149 4.194 191 1HD ARG 26 HD2 ARG 26 -10.053 -7.423 2.746 192 2HD ARG 26 HD1 ARG 26 -11.225 -7.395 4.062 193 HE ARG 26 HE ARG 26 -10.717 -5.320 2.186 194 1HH1 ARG 26 HH11 ARG 26 -11.622 -5.900 5.506 195 2HH1 ARG 26 HH12 ARG 26 -12.468 -4.399 5.669 196 1HH2 ARG 26 HH21 ARG 26 -11.829 -3.344 2.400 197 2HH2 ARG 26 HH22 ARG 26 -12.587 -2.947 3.906 198 H LEU 27 HN LEU 27 -7.897 -9.041 4.039 199 HA LEU 27 HA LEU 27 -9.626 -11.231 3.593 200 1HB LEU 27 HB2 LEU 27 -7.479 -9.881 2.176 201 2HB LEU 27 HB1 LEU 27 -7.410 -11.618 1.946 202 HG LEU 27 HG LEU 27 -9.798 -11.557 1.208 203 1HD1 LEU 27 HD11 LEU 27 -10.745 -9.396 0.558 204 2HD1 LEU 27 HD12 LEU 27 -9.357 -8.576 1.274 205 3HD1 LEU 27 HD13 LEU 27 -10.467 -9.490 2.297 206 1HD2 LEU 27 HD21 LEU 27 -9.306 -10.802 -1.005 207 2HD2 LEU 27 HD22 LEU 27 -7.845 -11.539 -0.348 208 3HD2 LEU 27 HD23 LEU 27 -7.989 -9.783 -0.422 209 H VAL 28 HN VAL 28 -6.335 -10.951 4.826 210 HA VAL 28 HA VAL 28 -5.675 -13.687 4.811 211 HB VAL 28 HB VAL 28 -4.751 -11.607 6.790 212 1HG1 VAL 28 HG11 VAL 28 -3.755 -14.335 6.050 213 2HG1 VAL 28 HG12 VAL 28 -4.087 -13.670 7.649 214 3HG1 VAL 28 HG13 VAL 28 -2.676 -13.123 6.743 215 1HG2 VAL 28 HG21 VAL 28 -2.828 -12.166 4.756 216 2HG2 VAL 28 HG22 VAL 28 -3.592 -10.631 5.164 217 3HG2 VAL 28 HG23 VAL 28 -4.352 -11.710 3.995 218 H GLN 29 HN GLN 29 -7.191 -11.636 7.266 219 HA GLN 29 HA GLN 29 -7.401 -13.459 9.343 220 1HB GLN 29 HB2 GLN 29 -8.685 -10.963 8.584 221 2HB GLN 29 HB1 GLN 29 -9.812 -12.043 9.393 222 1HG GLN 29 HG2 GLN 29 -8.760 -10.578 10.993 223 2HG GLN 29 HG1 GLN 29 -8.258 -12.246 11.274 224 1HE2 GLN 29 HE21 GLN 29 -6.459 -11.406 12.427 225 2HE2 GLN 29 HE22 GLN 29 -5.073 -10.809 11.586 226 H GLN 30 HN GLN 30 -9.241 -13.147 6.393 227 HA GLN 30 HA GLN 30 -11.330 -14.945 7.091 228 1HB GLN 30 HB2 GLN 30 -11.348 -13.221 5.218 229 2HB GLN 30 HB1 GLN 30 -10.356 -14.345 4.299 230 1HG GLN 30 HG2 GLN 30 -12.167 -16.047 4.604 231 2HG GLN 30 HG1 GLN 30 -13.164 -14.762 5.285 232 1HE2 GLN 30 HE21 GLN 30 -14.322 -15.820 3.273 233 2HE2 GLN 30 HE22 GLN 30 -14.154 -14.912 1.812 234 H HIS 31 HN HIS 31 -8.101 -15.304 5.793 235 HA HIS 31 HA HIS 31 -8.358 -18.193 6.100 236 1HB HIS 31 HB2 HIS 31 -7.368 -18.696 3.940 237 2HB HIS 31 HB1 HIS 31 -8.842 -17.761 3.718 238 HD1 HIS 31 HD1 HIS 31 -8.196 -14.998 3.612 239 HD2 HIS 31 HD2 HIS 31 -5.407 -17.790 2.328 240 HE1 HIS 31 HE1 HIS 31 -6.651 -13.751 2.077 241 HE2 HIS 31 HE2 HIS 31 -4.843 -15.410 1.514 242 HA PRO 32 HA PRO 32 -4.395 -16.381 7.766 243 1HB PRO 32 HB2 PRO 32 -4.521 -17.681 10.154 244 2HB PRO 32 HB1 PRO 32 -5.273 -16.107 9.870 245 1HG PRO 32 HG2 PRO 32 -6.514 -18.832 9.850 246 2HG PRO 32 HG1 PRO 32 -7.129 -17.327 10.560 247 1HD PRO 32 HD2 PRO 32 -8.009 -18.267 8.186 248 2HD PRO 32 HD1 PRO 32 -7.883 -16.530 8.529 249 H ARG 33 HN ARG 33 -5.729 -19.620 7.622 250 HA ARG 33 HA ARG 33 -3.062 -20.644 6.985 251 1HB ARG 33 HB2 ARG 33 -4.910 -22.151 8.830 252 2HB ARG 33 HB1 ARG 33 -3.230 -22.507 8.455 253 1HG ARG 33 HG2 ARG 33 -2.819 -21.506 10.411 254 2HG ARG 33 HG1 ARG 33 -3.006 -20.013 9.488 255 1HD ARG 33 HD2 ARG 33 -4.577 -19.486 10.990 256 2HD ARG 33 HD1 ARG 33 -5.595 -20.638 10.128 257 HE ARG 33 HE ARG 33 -5.424 -22.075 11.906 258 1HH1 ARG 33 HH11 ARG 33 -3.015 -19.571 12.229 259 2HH1 ARG 33 HH12 ARG 33 -2.566 -20.036 13.836 260 1HH2 ARG 33 HH21 ARG 33 -4.836 -22.687 14.019 261 2HH2 ARG 33 HH22 ARG 33 -3.600 -21.806 14.852 262 H CYS 1 HN CYS 1 -17.399 -19.035 -0.531 263 HA CYS 1 HA CYS 1 -17.407 -21.343 -0.677 264 1HB CYS 1 HB2 CYS 1 -17.193 -20.126 -3.070 265 2HB CYS 1 HB1 CYS 1 -15.753 -21.135 -3.129 266 HG CYS 1 HG CYS 1 -17.610 -23.131 -2.543 267 H GLY 2 HN GLY 2 -14.204 -20.488 -2.004 268 1HA GLY 2 HA2 GLY 2 -12.409 -21.155 -0.216 269 2HA GLY 2 HA1 GLY 2 -13.066 -22.753 -0.533 270 H GLY 3 HN GLY 3 -10.945 -23.378 -1.229 271 1HA GLY 3 HA2 GLY 3 -9.598 -24.023 -2.994 272 2HA GLY 3 HA1 GLY 3 -10.613 -23.070 -4.065 273 H ASP 4 HN ASP 4 -9.143 -21.678 -1.226 274 HA ASP 4 HA ASP 4 -7.567 -20.061 -0.941 275 1HB ASP 4 HB2 ASP 4 -6.435 -21.197 -3.496 276 2HB ASP 4 HB1 ASP 4 -5.594 -20.097 -2.409 277 H ASN 5 HN ASN 5 -9.959 -19.742 -2.848 278 HA ASN 5 HA ASN 5 -9.369 -17.953 -4.892 279 1HB ASN 5 HB2 ASN 5 -11.613 -19.069 -4.328 280 2HB ASN 5 HB1 ASN 5 -11.853 -17.742 -3.196 281 1HD2 ASN 5 HD21 ASN 5 -10.809 -18.212 -6.557 282 2HD2 ASN 5 HD22 ASN 5 -11.748 -16.915 -7.207 283 H ILE 6 HN ILE 6 -9.445 -17.532 -1.473 284 HA ILE 6 HA ILE 6 -9.552 -14.658 -1.520 285 HB ILE 6 HB ILE 6 -8.681 -16.403 0.774 286 1HG1 ILE 6 HG12 ILE 6 -11.430 -15.564 0.964 287 2HG1 ILE 6 HG11 ILE 6 -11.190 -16.464 -0.529 288 1HG2 ILE 6 HG21 ILE 6 -10.070 -13.736 0.804 289 2HG2 ILE 6 HG22 ILE 6 -8.320 -13.936 0.885 290 3HG2 ILE 6 HG23 ILE 6 -9.343 -14.592 2.165 291 1HD1 ILE 6 HD11 ILE 6 -11.305 -17.399 2.202 292 2HD1 ILE 6 HD12 ILE 6 -9.861 -17.968 1.364 293 3HD1 ILE 6 HD13 ILE 6 -11.458 -18.293 0.691 294 H GLU 7 HN GLU 7 -7.103 -17.139 -0.934 295 HA GLU 7 HA GLU 7 -4.939 -15.475 -0.362 296 1HB GLU 7 HB2 GLU 7 -5.284 -18.148 -0.432 297 2HB GLU 7 HB1 GLU 7 -4.378 -17.930 -1.922 298 1HG GLU 7 HG2 GLU 7 -2.846 -16.475 -0.305 299 2HG GLU 7 HG1 GLU 7 -3.531 -17.578 0.888 300 H GLN 8 HN GLN 8 -6.419 -16.317 -3.398 301 HA GLN 8 HA GLN 8 -4.244 -15.365 -5.016 302 1HB GLN 8 HB2 GLN 8 -6.221 -17.050 -5.568 303 2HB GLN 8 HB1 GLN 8 -7.022 -15.573 -6.085 304 1HG GLN 8 HG2 GLN 8 -6.049 -16.351 -8.028 305 2HG GLN 8 HG1 GLN 8 -4.891 -15.149 -7.459 306 1HE2 GLN 8 HE21 GLN 8 -3.610 -16.521 -9.038 307 2HE2 GLN 8 HE22 GLN 8 -2.732 -17.848 -8.364 308 H LYS 9 HN LYS 9 -7.348 -14.127 -3.908 309 HA LYS 9 HA LYS 9 -7.379 -11.738 -5.368 310 1HB LYS 9 HB2 LYS 9 -8.696 -12.700 -2.871 311 2HB LYS 9 HB1 LYS 9 -8.765 -10.983 -3.238 312 1HG LYS 9 HG2 LYS 9 -9.500 -12.004 -5.618 313 2HG LYS 9 HG1 LYS 9 -10.113 -13.254 -4.532 314 1HD LYS 9 HD2 LYS 9 -10.655 -10.451 -3.760 315 2HD LYS 9 HD1 LYS 9 -11.507 -11.055 -5.183 316 1HE LYS 9 HE2 LYS 9 -11.852 -13.123 -3.475 317 2HE LYS 9 HE1 LYS 9 -11.805 -11.773 -2.343 318 1HZ LYS 9 HZ1 LYS 9 -13.596 -11.954 -4.706 319 2HZ LYS 9 HZ2 LYS 9 -13.580 -10.711 -3.558 320 3HZ LYS 9 HZ3 LYS 9 -14.058 -12.270 -3.109 321 H ILE 10 HN ILE 10 -5.840 -12.589 -2.319 322 HA ILE 10 HA ILE 10 -5.112 -9.905 -1.668 323 HB ILE 10 HB ILE 10 -3.488 -10.982 -0.082 324 1HG1 ILE 10 HG12 ILE 10 -4.920 -13.534 -0.837 325 2HG1 ILE 10 HG11 ILE 10 -3.295 -13.122 -1.378 326 1HG2 ILE 10 HG21 ILE 10 -5.108 -11.126 1.496 327 2HG2 ILE 10 HG22 ILE 10 -6.140 -12.153 0.501 328 3HG2 ILE 10 HG23 ILE 10 -6.070 -10.417 0.198 329 1HD1 ILE 10 HD11 ILE 10 -4.182 -13.521 1.465 330 2HD1 ILE 10 HD12 ILE 10 -2.564 -13.032 0.963 331 3HD1 ILE 10 HD13 ILE 10 -3.190 -14.616 0.503 332 H ASP 11 HN ASP 11 -3.398 -12.634 -3.173 333 HA ASP 11 HA ASP 11 -0.852 -11.612 -3.335 334 1HB ASP 11 HB2 ASP 11 -2.462 -13.438 -5.044 335 2HB ASP 11 HB1 ASP 11 -0.991 -12.780 -5.753 336 H ASP 12 HN ASP 12 -3.685 -10.782 -5.194 337 HA ASP 12 HA ASP 12 -2.374 -9.157 -7.129 338 1HB ASP 12 HB2 ASP 12 -4.648 -10.065 -7.470 339 2HB ASP 12 HB1 ASP 12 -5.243 -9.048 -6.161 340 H ILE 13 HN ILE 13 -4.120 -8.451 -4.125 341 HA ILE 13 HA ILE 13 -3.773 -5.673 -4.138 342 HB ILE 13 HB ILE 13 -3.909 -7.443 -1.692 343 1HG1 ILE 13 HG12 ILE 13 -6.143 -6.222 -3.333 344 2HG1 ILE 13 HG11 ILE 13 -5.767 -7.937 -3.208 345 1HG2 ILE 13 HG21 ILE 13 -5.238 -4.898 -1.494 346 2HG2 ILE 13 HG22 ILE 13 -3.548 -4.681 -1.943 347 3HG2 ILE 13 HG23 ILE 13 -3.963 -5.579 -0.485 348 1HD1 ILE 13 HD11 ILE 13 -7.132 -8.090 -1.482 349 2HD1 ILE 13 HD12 ILE 13 -7.454 -6.358 -1.567 350 3HD1 ILE 13 HD13 ILE 13 -6.119 -6.959 -0.585 351 H ASP 14 HN ASP 14 -1.813 -8.225 -2.611 352 HA ASP 14 HA ASP 14 0.087 -6.732 -1.329 353 1HB ASP 14 HB2 ASP 14 -0.228 -9.380 -1.823 354 2HB ASP 14 HB1 ASP 14 1.166 -9.031 -2.840 355 H HIS 15 HN HIS 15 -0.204 -7.356 -4.768 356 HA HIS 15 HA HIS 15 2.365 -6.290 -5.448 357 1HB HIS 15 HB2 HIS 15 0.862 -7.910 -6.809 358 2HB HIS 15 HB1 HIS 15 0.037 -6.449 -7.343 359 HD1 HIS 15 HD1 HIS 15 3.476 -5.583 -6.958 360 HD2 HIS 15 HD2 HIS 15 1.268 -7.587 -9.852 361 HE1 HIS 15 HE1 HIS 15 4.883 -5.519 -9.042 362 HE2 HIS 15 HE2 HIS 15 3.565 -6.814 -10.754 363 H GLU 16 HN GLU 16 -0.825 -5.019 -4.953 364 HA GLU 16 HA GLU 16 -0.213 -2.476 -6.183 365 1HB GLU 16 HB2 GLU 16 -2.621 -3.092 -4.486 366 2HB GLU 16 HB1 GLU 16 -2.464 -1.886 -5.757 367 1HG GLU 16 HG2 GLU 16 -2.174 -4.784 -6.406 368 2HG GLU 16 HG1 GLU 16 -3.776 -4.077 -6.197 369 H ILE 17 HN ILE 17 -0.457 -3.852 -2.975 370 HA ILE 17 HA ILE 17 -0.408 -1.475 -1.474 371 HB ILE 17 HB ILE 17 0.761 -4.130 -0.635 372 1HG1 ILE 17 HG12 ILE 17 -2.042 -3.322 0.006 373 2HG1 ILE 17 HG11 ILE 17 -1.707 -4.006 -1.578 374 1HG2 ILE 17 HG21 ILE 17 -0.409 -3.053 1.557 375 2HG2 ILE 17 HG22 ILE 17 0.140 -1.600 0.720 376 3HG2 ILE 17 HG23 ILE 17 1.295 -2.864 1.143 377 1HD1 ILE 17 HD11 ILE 17 -2.045 -5.323 0.931 378 2HD1 ILE 17 HD12 ILE 17 -0.446 -5.682 0.280 379 3HD1 ILE 17 HD13 ILE 17 -1.886 -6.016 -0.682 380 H ALA 18 HN ALA 18 2.094 -3.386 -2.985 381 HA ALA 18 HA ALA 18 4.270 -2.059 -1.648 382 1HB ALA 18 HB1 ALA 18 3.964 -4.243 -3.592 383 2HB ALA 18 HB2 ALA 18 5.063 -4.084 -2.222 384 3HB ALA 18 HB3 ALA 18 5.442 -3.292 -3.752 385 H ASP 19 HN ASP 19 2.829 -1.959 -4.894 386 HA ASP 19 HA ASP 19 4.583 -0.240 -6.149 387 1HB ASP 19 HB2 ASP 19 2.102 -1.342 -6.741 388 2HB ASP 19 HB1 ASP 19 1.813 0.394 -6.799 389 H LEU 20 HN LEU 20 1.940 0.529 -3.947 390 HA LEU 20 HA LEU 20 2.091 3.346 -4.272 391 1HB LEU 20 HB2 LEU 20 1.047 1.823 -1.890 392 2HB LEU 20 HB1 LEU 20 0.673 3.480 -2.323 393 HG LEU 20 HG LEU 20 -0.448 0.951 -3.361 394 1HD1 LEU 20 HD11 LEU 20 -2.083 3.230 -3.776 395 2HD1 LEU 20 HD12 LEU 20 -1.338 3.378 -2.186 396 3HD1 LEU 20 HD13 LEU 20 -2.272 1.942 -2.589 397 1HD2 LEU 20 HD21 LEU 20 0.460 1.527 -5.428 398 2HD2 LEU 20 HD22 LEU 20 0.265 3.257 -5.142 399 3HD2 LEU 20 HD23 LEU 20 -1.147 2.254 -5.472 400 H GLN 21 HN GLN 21 3.200 1.215 -1.639 401 HA GLN 21 HA GLN 21 4.438 3.090 -0.049 402 1HB GLN 21 HB2 GLN 21 4.129 0.483 0.196 403 2HB GLN 21 HB1 GLN 21 5.769 0.442 -0.440 404 1HG GLN 21 HG2 GLN 21 5.734 2.389 1.593 405 2HG GLN 21 HG1 GLN 21 4.876 0.980 2.214 406 1HE2 GLN 21 HE21 GLN 21 7.763 2.372 2.206 407 2HE2 GLN 21 HE22 GLN 21 8.796 0.990 2.291 408 H ALA 22 HN ALA 22 5.589 1.660 -3.028 409 HA ALA 22 HA ALA 22 8.286 2.559 -2.779 410 1HB ALA 22 HB1 ALA 22 7.130 0.736 -4.349 411 2HB ALA 22 HB2 ALA 22 8.656 1.519 -4.761 412 3HB ALA 22 HB3 ALA 22 7.149 2.095 -5.472 413 H LYS 23 HN LYS 23 5.341 3.902 -4.121 414 HA LYS 23 HA LYS 23 6.562 6.032 -5.546 415 1HB LYS 23 HB2 LYS 23 3.762 5.592 -4.523 416 2HB LYS 23 HB1 LYS 23 4.224 7.037 -5.410 417 1HG LYS 23 HG2 LYS 23 4.542 5.890 -7.386 418 2HG LYS 23 HG1 LYS 23 4.777 4.344 -6.568 419 1HD LYS 23 HD2 LYS 23 2.346 4.513 -5.861 420 2HD LYS 23 HD1 LYS 23 2.206 5.843 -7.012 421 1HE LYS 23 HE2 LYS 23 3.280 4.121 -8.665 422 2HE LYS 23 HE1 LYS 23 2.673 2.937 -7.509 423 1HZ LYS 23 HZ1 LYS 23 0.489 3.541 -7.917 424 2HZ LYS 23 HZ2 LYS 23 1.182 3.620 -9.458 425 3HZ LYS 23 HZ3 LYS 23 0.905 5.040 -8.583 426 H ARG 24 HN ARG 24 5.541 5.615 -2.226 427 HA ARG 24 HA ARG 24 5.633 8.386 -1.532 428 1HB ARG 24 HB2 ARG 24 5.083 5.866 -0.203 429 2HB ARG 24 HB1 ARG 24 6.061 6.921 0.807 430 1HG ARG 24 HG2 ARG 24 4.277 8.715 0.106 431 2HG ARG 24 HG1 ARG 24 3.288 7.284 -0.187 432 1HD ARG 24 HD2 ARG 24 2.869 7.123 1.982 433 2HD ARG 24 HD1 ARG 24 4.591 6.945 2.307 434 HE ARG 24 HE ARG 24 3.600 9.655 1.961 435 1HH1 ARG 24 HH11 ARG 24 4.519 7.119 4.183 436 2HH1 ARG 24 HH12 ARG 24 4.754 8.203 5.512 437 1HH2 ARG 24 HH21 ARG 24 3.907 11.074 3.710 438 2HH2 ARG 24 HH22 ARG 24 4.405 10.446 5.245 439 H THR 25 HN THR 25 7.879 5.665 -1.086 440 HA THR 25 HA THR 25 9.870 7.032 0.313 441 HB THR 25 HB THR 25 10.756 4.981 -1.620 442 HG1 THR 25 HG1 THR 25 8.859 4.429 0.411 443 1HG2 THR 25 HG21 THR 25 11.036 4.367 1.186 444 2HG2 THR 25 HG22 THR 25 11.695 5.954 0.787 445 3HG2 THR 25 HG23 THR 25 12.265 4.522 -0.069 446 H ARG 26 HN ARG 26 9.671 6.352 -3.178 447 HA ARG 26 HA ARG 26 11.961 7.638 -4.012 448 1HB ARG 26 HB2 ARG 26 10.882 7.884 -6.195 449 2HB ARG 26 HB1 ARG 26 10.551 6.301 -5.502 450 1HG ARG 26 HG2 ARG 26 8.338 7.060 -4.811 451 2HG ARG 26 HG1 ARG 26 8.668 8.651 -5.499 452 1HD ARG 26 HD2 ARG 26 7.327 7.291 -7.019 453 2HD ARG 26 HD1 ARG 26 8.907 7.655 -7.711 454 HE ARG 26 HE ARG 26 8.799 5.138 -6.326 455 1HH1 ARG 26 HH11 ARG 26 8.255 6.757 -9.370 456 2HH1 ARG 26 HH12 ARG 26 8.443 5.316 -10.312 457 1HH2 ARG 26 HH21 ARG 26 9.047 3.243 -7.564 458 2HH2 ARG 26 HH22 ARG 26 8.891 3.321 -9.286 459 H LEU 27 HN LEU 27 8.758 9.014 -3.431 460 HA LEU 27 HA LEU 27 9.383 11.642 -4.254 461 1HB LEU 27 HB2 LEU 27 7.240 10.397 -2.590 462 2HB LEU 27 HB1 LEU 27 7.421 12.141 -2.561 463 HG LEU 27 HG LEU 27 7.285 10.861 -5.233 464 1HD1 LEU 27 HD11 LEU 27 5.482 9.947 -3.468 465 2HD1 LEU 27 HD12 LEU 27 5.129 10.200 -5.177 466 3HD1 LEU 27 HD13 LEU 27 4.671 11.423 -3.991 467 1HD2 LEU 27 HD21 LEU 27 6.276 13.391 -3.959 468 2HD2 LEU 27 HD22 LEU 27 5.824 12.896 -5.591 469 3HD2 LEU 27 HD23 LEU 27 7.515 13.211 -5.201 470 H VAL 28 HN VAL 28 9.721 9.923 -1.202 471 HA VAL 28 HA VAL 28 10.317 12.178 0.403 472 HB VAL 28 HB VAL 28 11.326 9.371 0.828 473 1HG1 VAL 28 HG11 VAL 28 12.030 11.565 2.192 474 2HG1 VAL 28 HG12 VAL 28 11.891 9.971 2.934 475 3HG1 VAL 28 HG13 VAL 28 10.568 11.129 3.076 476 1HG2 VAL 28 HG21 VAL 28 9.218 8.711 1.092 477 2HG2 VAL 28 HG22 VAL 28 8.629 10.347 0.805 478 3HG2 VAL 28 HG23 VAL 28 9.068 9.843 2.436 479 H GLN 29 HN GLN 29 12.340 9.895 -1.390 480 HA GLN 29 HA GLN 29 14.851 10.770 -0.624 481 1HB GLN 29 HB2 GLN 29 13.795 9.074 -2.612 482 2HB GLN 29 HB1 GLN 29 14.823 10.222 -3.459 483 1HG GLN 29 HG2 GLN 29 16.730 9.483 -2.439 484 2HG GLN 29 HG1 GLN 29 15.873 8.909 -1.008 485 1HE2 GLN 29 HE21 GLN 29 14.044 7.226 -1.893 486 2HE2 GLN 29 HE22 GLN 29 14.748 5.912 -2.765 487 H GLN 30 HN GLN 30 12.558 12.159 -2.865 488 HA GLN 30 HA GLN 30 14.320 14.095 -3.986 489 1HB GLN 30 HB2 GLN 30 11.341 13.739 -3.917 490 2HB GLN 30 HB1 GLN 30 12.036 15.234 -4.528 491 1HG GLN 30 HG2 GLN 30 13.018 14.190 -6.345 492 2HG GLN 30 HG1 GLN 30 12.956 12.598 -5.588 493 1HE2 GLN 30 HE21 GLN 30 11.951 11.695 -7.385 494 2HE2 GLN 30 HE22 GLN 30 10.291 11.998 -7.759 495 H HIS 31 HN HIS 31 12.273 13.955 -1.149 496 HA HIS 31 HA HIS 31 13.478 16.449 -0.227 497 1HB HIS 31 HB2 HIS 31 11.356 17.396 0.498 498 2HB HIS 31 HB1 HIS 31 11.335 17.116 -1.239 499 HD1 HIS 31 HD1 HIS 31 9.994 14.902 -2.001 500 HD2 HIS 31 HD2 HIS 31 9.297 16.247 1.864 501 HE1 HIS 31 HE1 HIS 31 7.835 13.832 -1.297 502 HE2 HIS 31 HE2 HIS 31 7.548 14.502 1.113 503 HA PRO 32 HA PRO 32 13.342 13.082 2.984 504 1HB PRO 32 HB2 PRO 32 15.907 13.443 3.814 505 2HB PRO 32 HB1 PRO 32 15.466 12.375 2.478 506 1HG PRO 32 HG2 PRO 32 16.521 15.176 2.395 507 2HG PRO 32 HG1 PRO 32 16.967 13.781 1.393 508 1HD PRO 32 HD2 PRO 32 15.290 15.711 0.519 509 2HD PRO 32 HD1 PRO 32 15.120 14.014 0.028 510 H ARG 33 HN ARG 33 14.714 16.336 3.085 511 HA ARG 33 HA ARG 33 13.140 17.189 5.239 512 1HB ARG 33 HB2 ARG 33 14.797 17.330 7.031 513 2HB ARG 33 HB1 ARG 33 14.522 15.658 6.563 514 1HG ARG 33 HG2 ARG 33 16.739 17.035 5.193 515 2HG ARG 33 HG1 ARG 33 16.955 16.728 6.917 516 1HD ARG 33 HD2 ARG 33 15.862 14.409 5.609 517 2HD ARG 33 HD1 ARG 33 17.336 14.934 4.798 518 HE ARG 33 HE ARG 33 17.133 13.722 7.375 519 1HH1 ARG 33 HH11 ARG 33 19.011 15.956 5.463 520 2HH1 ARG 33 HH12 ARG 33 20.465 15.707 6.372 521 1HH2 ARG 33 HH21 ARG 33 19.042 13.392 8.571 522 2HH2 ARG 33 HH22 ARG 33 20.482 14.251 8.137 Start of MODEL 42 1 H CYS 1 HT1 CYS 1 9.768 21.529 6.580 2 HA CYS 1 HA CYS 1 11.345 19.396 5.322 3 1HB CYS 1 HB2 CYS 1 10.108 17.897 6.903 4 2HB CYS 1 HB1 CYS 1 11.286 18.944 7.688 5 HG CYS 1 HG CYS 1 8.867 18.818 8.908 6 H GLY 2 HN GLY 2 10.317 19.844 3.339 7 1HA GLY 2 HA2 GLY 2 8.685 19.482 1.760 8 2HA GLY 2 HA1 GLY 2 7.813 18.565 2.979 9 H GLY 3 HN GLY 3 5.859 19.332 3.416 10 1HA GLY 3 HA2 GLY 3 4.061 20.770 3.476 11 2HA GLY 3 HA1 GLY 3 5.192 21.840 4.294 12 H ASP 4 HN ASP 4 5.242 20.713 0.940 13 HA ASP 4 HA ASP 4 4.815 23.491 0.075 14 1HB ASP 4 HB2 ASP 4 7.177 22.988 -0.136 15 2HB ASP 4 HB1 ASP 4 6.819 21.490 -0.993 16 H ASN 5 HN ASN 5 5.408 20.631 -1.872 17 HA ASN 5 HA ASN 5 2.610 20.462 -2.666 18 1HB ASN 5 HB2 ASN 5 4.166 22.016 -4.199 19 2HB ASN 5 HB1 ASN 5 4.588 20.454 -4.894 20 1HD2 ASN 5 HD21 ASN 5 2.494 19.035 -5.161 21 2HD2 ASN 5 HD22 ASN 5 1.212 19.827 -6.006 22 H ILE 6 HN ILE 6 5.908 19.253 -3.014 23 HA ILE 6 HA ILE 6 5.233 16.679 -3.969 24 HB ILE 6 HB ILE 6 7.658 17.143 -2.270 25 1HG1 ILE 6 HG12 ILE 6 7.166 18.242 -5.040 26 2HG1 ILE 6 HG11 ILE 6 7.730 19.103 -3.611 27 1HG2 ILE 6 HG21 ILE 6 7.201 15.568 -4.793 28 2HG2 ILE 6 HG22 ILE 6 7.196 14.921 -3.153 29 3HG2 ILE 6 HG23 ILE 6 8.679 15.594 -3.831 30 1HD1 ILE 6 HD11 ILE 6 9.297 17.002 -5.087 31 2HD1 ILE 6 HD12 ILE 6 9.856 17.971 -3.724 32 3HD1 ILE 6 HD13 ILE 6 9.499 18.743 -5.269 33 H GLU 7 HN GLU 7 6.084 17.896 -0.764 34 HA GLU 7 HA GLU 7 5.839 15.573 0.713 35 1HB GLU 7 HB2 GLU 7 6.701 17.664 1.644 36 2HB GLU 7 HB1 GLU 7 5.099 18.385 1.549 37 1HG GLU 7 HG2 GLU 7 4.768 17.701 3.628 38 2HG GLU 7 HG1 GLU 7 4.723 16.052 3.006 39 H GLN 8 HN GLN 8 3.326 17.714 -0.473 40 HA GLN 8 HA GLN 8 1.219 16.487 1.032 41 1HB GLN 8 HB2 GLN 8 1.318 18.859 -0.050 42 2HB GLN 8 HB1 GLN 8 0.775 18.030 -1.502 43 1HG GLN 8 HG2 GLN 8 -1.218 18.694 -0.611 44 2HG GLN 8 HG1 GLN 8 -1.069 17.078 0.078 45 1HE2 GLN 8 HE21 GLN 8 -2.499 19.504 1.000 46 2HE2 GLN 8 HE22 GLN 8 -1.935 19.778 2.610 47 H LYS 9 HN LYS 9 2.644 16.066 -2.137 48 HA LYS 9 HA LYS 9 0.659 14.438 -3.279 49 1HB LYS 9 HB2 LYS 9 3.548 14.943 -3.805 50 2HB LYS 9 HB1 LYS 9 2.809 13.535 -4.556 51 1HG LYS 9 HG2 LYS 9 1.134 14.961 -5.606 52 2HG LYS 9 HG1 LYS 9 1.854 16.377 -4.837 53 1HD LYS 9 HD2 LYS 9 3.009 16.548 -6.760 54 2HD LYS 9 HD1 LYS 9 4.021 15.286 -6.054 55 1HE LYS 9 HE2 LYS 9 3.457 14.615 -8.276 56 2HE LYS 9 HE1 LYS 9 2.553 13.595 -7.157 57 1HZ LYS 9 HZ1 LYS 9 1.584 15.691 -8.964 58 2HZ LYS 9 HZ2 LYS 9 0.750 15.438 -7.514 59 3HZ LYS 9 HZ3 LYS 9 0.922 14.171 -8.621 60 H ILE 10 HN ILE 10 3.486 13.670 -1.304 61 HA ILE 10 HA ILE 10 3.190 10.848 -1.514 62 HB ILE 10 HB ILE 10 4.644 10.784 0.533 63 1HG1 ILE 10 HG12 ILE 10 4.864 13.762 0.075 64 2HG1 ILE 10 HG11 ILE 10 3.959 13.025 1.394 65 1HG2 ILE 10 HG21 ILE 10 6.577 11.111 -0.704 66 2HG2 ILE 10 HG22 ILE 10 5.901 12.485 -1.579 67 3HG2 ILE 10 HG23 ILE 10 5.352 10.849 -1.946 68 1HD1 ILE 10 HD11 ILE 10 6.014 12.026 2.243 69 2HD1 ILE 10 HD12 ILE 10 6.137 13.782 2.138 70 3HD1 ILE 10 HD13 ILE 10 6.917 12.768 0.924 71 H ASP 11 HN ASP 11 2.161 13.241 0.905 72 HA ASP 11 HA ASP 11 1.206 11.575 2.881 73 1HB ASP 11 HB2 ASP 11 0.468 14.291 1.918 74 2HB ASP 11 HB1 ASP 11 -0.676 13.485 2.987 75 H ASP 12 HN ASP 12 -0.173 12.370 -0.218 76 HA ASP 12 HA ASP 12 -2.732 11.201 0.228 77 1HB ASP 12 HB2 ASP 12 -1.196 12.145 -2.154 78 2HB ASP 12 HB1 ASP 12 -2.563 11.067 -2.427 79 H ILE 13 HN ILE 13 0.289 10.095 -1.221 80 HA ILE 13 HA ILE 13 -0.570 7.538 -1.993 81 HB ILE 13 HB ILE 13 2.212 8.277 -1.089 82 1HG1 ILE 13 HG12 ILE 13 0.922 8.581 -3.807 83 2HG1 ILE 13 HG11 ILE 13 1.457 9.885 -2.753 84 1HG2 ILE 13 HG21 ILE 13 1.850 6.401 -3.305 85 2HG2 ILE 13 HG22 ILE 13 1.214 5.829 -1.763 86 3HG2 ILE 13 HG23 ILE 13 2.907 6.305 -1.897 87 1HD1 ILE 13 HD11 ILE 13 3.722 9.371 -3.101 88 2HD1 ILE 13 HD12 ILE 13 2.961 9.308 -4.690 89 3HD1 ILE 13 HD13 ILE 13 3.336 7.813 -3.831 90 H ASP 14 HN ASP 14 1.020 8.670 0.986 91 HA ASP 14 HA ASP 14 1.316 6.296 2.338 92 1HB ASP 14 HB2 ASP 14 1.777 8.838 3.002 93 2HB ASP 14 HB1 ASP 14 0.278 8.611 3.897 94 H HIS 15 HN HIS 15 -1.616 8.147 1.820 95 HA HIS 15 HA HIS 15 -3.206 6.642 3.666 96 1HB HIS 15 HB2 HIS 15 -3.657 9.009 2.783 97 2HB HIS 15 HB1 HIS 15 -4.255 8.221 1.325 98 HD1 HIS 15 HD1 HIS 15 -5.132 6.136 4.097 99 HD2 HIS 15 HD2 HIS 15 -6.685 9.607 2.420 100 HE1 HIS 15 HE1 HIS 15 -7.497 6.285 4.933 101 HE2 HIS 15 HE2 HIS 15 -8.444 8.347 3.837 102 H GLU 16 HN GLU 16 -2.243 6.321 0.355 103 HA GLU 16 HA GLU 16 -4.258 4.332 -0.237 104 1HB GLU 16 HB2 GLU 16 -1.887 5.025 -1.957 105 2HB GLU 16 HB1 GLU 16 -3.435 4.356 -2.457 106 1HG GLU 16 HG2 GLU 16 -3.407 7.028 -1.161 107 2HG GLU 16 HG1 GLU 16 -2.834 6.891 -2.822 108 H ILE 17 HN ILE 17 -0.835 4.483 0.502 109 HA ILE 17 HA ILE 17 -0.130 1.840 -0.128 110 HB ILE 17 HB ILE 17 1.070 3.513 2.081 111 1HG1 ILE 17 HG12 ILE 17 2.190 3.441 -0.686 112 2HG1 ILE 17 HG11 ILE 17 0.826 4.504 -0.359 113 1HG2 ILE 17 HG21 ILE 17 1.767 0.984 0.777 114 2HG2 ILE 17 HG22 ILE 17 2.239 1.619 2.353 115 3HG2 ILE 17 HG23 ILE 17 3.098 2.135 0.901 116 1HD1 ILE 17 HD11 ILE 17 2.148 6.000 0.590 117 2HD1 ILE 17 HD12 ILE 17 3.522 5.035 0.052 118 3HD1 ILE 17 HD13 ILE 17 2.848 4.790 1.663 119 H ALA 18 HN ALA 18 -1.654 3.285 2.661 120 HA ALA 18 HA ALA 18 -1.428 0.916 4.297 121 1HB ALA 18 HB1 ALA 18 -1.518 2.607 5.772 122 2HB ALA 18 HB2 ALA 18 -3.264 2.478 5.562 123 3HB ALA 18 HB3 ALA 18 -2.352 3.679 4.646 124 H ASP 19 HN ASP 19 -3.926 2.549 2.403 125 HA ASP 19 HA ASP 19 -6.144 1.065 3.173 126 1HB ASP 19 HB2 ASP 19 -5.397 2.536 0.677 127 2HB ASP 19 HB1 ASP 19 -6.849 1.541 0.679 128 H LEU 20 HN LEU 20 -3.566 0.284 0.933 129 HA LEU 20 HA LEU 20 -4.840 -2.048 -0.134 130 1HB LEU 20 HB2 LEU 20 -1.909 -1.346 -0.160 131 2HB LEU 20 HB1 LEU 20 -2.718 -2.502 -1.197 132 HG LEU 20 HG LEU 20 -2.568 0.442 -1.397 133 1HD1 LEU 20 HD11 LEU 20 -1.715 -0.117 -3.365 134 2HD1 LEU 20 HD12 LEU 20 -3.197 -0.961 -3.809 135 3HD1 LEU 20 HD13 LEU 20 -1.921 -1.815 -2.944 136 1HD2 LEU 20 HD21 LEU 20 -4.686 0.379 -2.831 137 2HD2 LEU 20 HD22 LEU 20 -4.890 0.425 -1.081 138 3HD2 LEU 20 HD23 LEU 20 -5.087 -1.097 -1.952 139 H GLN 21 HN GLN 21 -2.050 -1.593 2.038 140 HA GLN 21 HA GLN 21 -1.605 -4.238 2.693 141 1HB GLN 21 HB2 GLN 21 -0.332 -2.048 3.352 142 2HB GLN 21 HB1 GLN 21 -1.344 -2.111 4.788 143 1HG GLN 21 HG2 GLN 21 0.175 -3.444 5.687 144 2HG GLN 21 HG1 GLN 21 -0.337 -4.684 4.542 145 1HE2 GLN 21 HE21 GLN 21 1.403 -5.633 3.765 146 2HE2 GLN 21 HE22 GLN 21 2.828 -4.839 3.197 147 H ALA 22 HN ALA 22 -3.820 -1.938 4.213 148 HA ALA 22 HA ALA 22 -4.708 -3.661 6.271 149 1HB ALA 22 HB1 ALA 22 -6.783 -2.035 6.090 150 2HB ALA 22 HB2 ALA 22 -5.668 -1.111 5.082 151 3HB ALA 22 HB3 ALA 22 -5.241 -1.492 6.750 152 H LYS 23 HN LYS 23 -5.622 -3.262 2.929 153 HA LYS 23 HA LYS 23 -8.084 -4.699 3.114 154 1HB LYS 23 HB2 LYS 23 -6.750 -3.173 1.159 155 2HB LYS 23 HB1 LYS 23 -6.935 -4.780 0.471 156 1HG LYS 23 HG2 LYS 23 -8.922 -3.959 -0.183 157 2HG LYS 23 HG1 LYS 23 -9.408 -4.421 1.449 158 1HD LYS 23 HD2 LYS 23 -10.096 -2.286 1.604 159 2HD LYS 23 HD1 LYS 23 -8.387 -1.941 1.883 160 1HE LYS 23 HE2 LYS 23 -8.884 -0.447 0.204 161 2HE LYS 23 HE1 LYS 23 -8.278 -1.821 -0.719 162 1HZ LYS 23 HZ1 LYS 23 -10.312 -2.269 -1.562 163 2HZ LYS 23 HZ2 LYS 23 -10.558 -0.620 -1.281 164 3HZ LYS 23 HZ3 LYS 23 -11.142 -1.760 -0.176 165 H ARG 24 HN ARG 24 -4.748 -5.534 2.399 166 HA ARG 24 HA ARG 24 -5.286 -8.183 1.495 167 1HB ARG 24 HB2 ARG 24 -3.145 -6.662 1.245 168 2HB ARG 24 HB1 ARG 24 -2.670 -7.459 2.741 169 1HG ARG 24 HG2 ARG 24 -3.256 -9.637 1.482 170 2HG ARG 24 HG1 ARG 24 -3.119 -8.639 0.035 171 1HD ARG 24 HD2 ARG 24 -0.846 -8.065 0.596 172 2HD ARG 24 HD1 ARG 24 -0.978 -8.916 2.136 173 HE ARG 24 HE ARG 24 -1.480 -10.540 -0.197 174 1HH1 ARG 24 HH11 ARG 24 0.925 -9.385 2.054 175 2HH1 ARG 24 HH12 ARG 24 2.004 -10.707 1.768 176 1HH2 ARG 24 HH21 ARG 24 -0.071 -12.272 -0.571 177 2HH2 ARG 24 HH22 ARG 24 1.440 -12.349 0.273 178 H THR 25 HN THR 25 -4.399 -6.785 4.624 179 HA THR 25 HA THR 25 -4.030 -9.210 6.004 180 HB THR 25 HB THR 25 -5.153 -6.954 7.537 181 HG1 THR 25 HG1 THR 25 -2.651 -6.676 6.240 182 1HG2 THR 25 HG21 THR 25 -4.118 -8.415 8.945 183 2HG2 THR 25 HG22 THR 25 -2.799 -7.289 8.628 184 3HG2 THR 25 HG23 THR 25 -2.866 -8.830 7.774 185 H ARG 26 HN ARG 26 -6.858 -7.027 5.983 186 HA ARG 26 HA ARG 26 -8.569 -8.535 7.522 187 1HB ARG 26 HB2 ARG 26 -10.418 -7.415 6.360 188 2HB ARG 26 HB1 ARG 26 -9.127 -6.288 6.753 189 1HG ARG 26 HG2 ARG 26 -8.538 -5.982 4.561 190 2HG ARG 26 HG1 ARG 26 -9.161 -7.553 4.059 191 1HD ARG 26 HD2 ARG 26 -10.471 -5.500 3.322 192 2HD ARG 26 HD1 ARG 26 -11.381 -6.806 4.079 193 HE ARG 26 HE ARG 26 -10.516 -4.759 5.910 194 1HH1 ARG 26 HH11 ARG 26 -13.027 -5.769 3.706 195 2HH1 ARG 26 HH12 ARG 26 -14.255 -4.818 4.473 196 1HH2 ARG 26 HH21 ARG 26 -12.129 -3.509 6.919 197 2HH2 ARG 26 HH22 ARG 26 -13.745 -3.534 6.296 198 H LEU 27 HN LEU 27 -7.770 -8.916 4.118 199 HA LEU 27 HA LEU 27 -9.710 -10.909 3.557 200 1HB LEU 27 HB2 LEU 27 -7.383 -9.731 2.211 201 2HB LEU 27 HB1 LEU 27 -7.650 -11.417 1.812 202 HG LEU 27 HG LEU 27 -10.035 -10.784 1.236 203 1HD1 LEU 27 HD11 LEU 27 -10.635 -8.542 0.930 204 2HD1 LEU 27 HD12 LEU 27 -8.970 -7.983 1.091 205 3HD1 LEU 27 HD13 LEU 27 -9.840 -8.580 2.503 206 1HD2 LEU 27 HD21 LEU 27 -9.452 -10.452 -0.942 207 2HD2 LEU 27 HD22 LEU 27 -7.891 -10.972 -0.306 208 3HD2 LEU 27 HD23 LEU 27 -8.218 -9.255 -0.547 209 H VAL 28 HN VAL 28 -6.375 -10.961 4.698 210 HA VAL 28 HA VAL 28 -5.986 -13.753 4.569 211 HB VAL 28 HB VAL 28 -4.744 -11.879 6.575 212 1HG1 VAL 28 HG11 VAL 28 -4.264 -14.662 5.743 213 2HG1 VAL 28 HG12 VAL 28 -3.936 -13.862 7.281 214 3HG1 VAL 28 HG13 VAL 28 -2.825 -13.659 5.926 215 1HG2 VAL 28 HG21 VAL 28 -3.029 -12.380 4.357 216 2HG2 VAL 28 HG22 VAL 28 -3.660 -10.840 4.937 217 3HG2 VAL 28 HG23 VAL 28 -4.571 -11.776 3.751 218 H GLN 29 HN GLN 29 -7.165 -11.618 7.126 219 HA GLN 29 HA GLN 29 -7.426 -13.461 9.188 220 1HB GLN 29 HB2 GLN 29 -9.131 -11.061 8.501 221 2HB GLN 29 HB1 GLN 29 -9.287 -11.966 10.000 222 1HG GLN 29 HG2 GLN 29 -6.668 -10.781 9.163 223 2HG GLN 29 HG1 GLN 29 -7.885 -9.826 10.007 224 1HE2 GLN 29 HE21 GLN 29 -5.160 -10.811 10.756 225 2HE2 GLN 29 HE22 GLN 29 -5.383 -11.604 12.275 226 H GLN 30 HN GLN 30 -9.350 -12.950 6.334 227 HA GLN 30 HA GLN 30 -11.584 -14.525 7.178 228 1HB GLN 30 HB2 GLN 30 -10.700 -13.707 4.403 229 2HB GLN 30 HB1 GLN 30 -12.252 -14.432 4.799 230 1HG GLN 30 HG2 GLN 30 -11.310 -11.839 5.986 231 2HG GLN 30 HG1 GLN 30 -12.235 -11.936 4.490 232 1HE2 GLN 30 HE21 GLN 30 -14.360 -12.880 4.590 233 2HE2 GLN 30 HE22 GLN 30 -15.278 -12.774 6.050 234 H HIS 31 HN HIS 31 -8.520 -15.151 5.608 235 HA HIS 31 HA HIS 31 -9.117 -18.018 5.755 236 1HB HIS 31 HB2 HIS 31 -8.147 -18.465 3.585 237 2HB HIS 31 HB1 HIS 31 -9.464 -17.311 3.409 238 HD1 HIS 31 HD1 HIS 31 -8.577 -14.707 3.323 239 HD2 HIS 31 HD2 HIS 31 -5.867 -17.690 2.343 240 HE1 HIS 31 HE1 HIS 31 -6.779 -13.571 1.993 241 HE2 HIS 31 HE2 HIS 31 -5.035 -15.352 1.638 242 HA PRO 32 HA PRO 32 -4.941 -16.888 7.489 243 1HB PRO 32 HB2 PRO 32 -5.337 -17.705 10.018 244 2HB PRO 32 HB1 PRO 32 -5.848 -16.107 9.461 245 1HG PRO 32 HG2 PRO 32 -7.474 -18.588 9.848 246 2HG PRO 32 HG1 PRO 32 -7.873 -16.912 10.264 247 1HD PRO 32 HD2 PRO 32 -8.783 -18.186 8.014 248 2HD PRO 32 HD1 PRO 32 -8.581 -16.429 8.140 249 H ARG 33 HN ARG 33 -6.911 -19.712 7.324 250 HA ARG 33 HA ARG 33 -5.096 -21.612 8.363 251 1HB ARG 33 HB2 ARG 33 -7.397 -21.841 6.427 252 2HB ARG 33 HB1 ARG 33 -6.462 -23.235 6.952 253 1HG ARG 33 HG2 ARG 33 -8.307 -23.236 8.361 254 2HG ARG 33 HG1 ARG 33 -7.039 -22.482 9.333 255 1HD ARG 33 HD2 ARG 33 -7.942 -20.337 9.045 256 2HD ARG 33 HD1 ARG 33 -8.947 -20.848 7.689 257 HE ARG 33 HE ARG 33 -10.544 -21.532 9.176 258 1HH1 ARG 33 HH11 ARG 33 -7.538 -21.071 10.889 259 2HH1 ARG 33 HH12 ARG 33 -8.253 -21.283 12.453 260 1HH2 ARG 33 HH21 ARG 33 -11.484 -21.813 11.231 261 2HH2 ARG 33 HH22 ARG 33 -10.493 -21.706 12.647 262 H CYS 1 HN CYS 1 -16.829 -22.582 0.145 263 HA CYS 1 HA CYS 1 -17.998 -22.212 -2.372 264 1HB CYS 1 HB2 CYS 1 -19.348 -20.674 -0.618 265 2HB CYS 1 HB1 CYS 1 -18.047 -19.565 -1.039 266 HG CYS 1 HG CYS 1 -19.130 -19.134 -3.191 267 H GLY 2 HN GLY 2 -15.866 -22.734 -2.941 268 1HA GLY 2 HA2 GLY 2 -13.873 -21.988 -3.887 269 2HA GLY 2 HA1 GLY 2 -14.113 -20.432 -3.107 270 H GLY 3 HN GLY 3 -11.630 -21.696 -3.197 271 1HA GLY 3 HA2 GLY 3 -11.272 -22.483 -0.369 272 2HA GLY 3 HA1 GLY 3 -10.309 -23.146 -1.680 273 H ASP 4 HN ASP 4 -8.786 -21.772 -2.748 274 HA ASP 4 HA ASP 4 -7.691 -19.761 -0.940 275 1HB ASP 4 HB2 ASP 4 -6.538 -21.001 -3.439 276 2HB ASP 4 HB1 ASP 4 -5.691 -19.885 -2.370 277 H ASN 5 HN ASN 5 -10.020 -19.487 -2.988 278 HA ASN 5 HA ASN 5 -9.334 -17.741 -5.027 279 1HB ASN 5 HB2 ASN 5 -11.799 -18.359 -3.520 280 2HB ASN 5 HB1 ASN 5 -11.776 -16.780 -4.301 281 1HD2 ASN 5 HD21 ASN 5 -10.871 -16.910 -6.624 282 2HD2 ASN 5 HD22 ASN 5 -11.539 -18.168 -7.602 283 H ILE 6 HN ILE 6 -9.569 -17.237 -1.621 284 HA ILE 6 HA ILE 6 -9.550 -14.357 -1.756 285 HB ILE 6 HB ILE 6 -8.953 -16.081 0.641 286 1HG1 ILE 6 HG12 ILE 6 -11.663 -15.087 -0.270 287 2HG1 ILE 6 HG11 ILE 6 -11.102 -16.747 -0.434 288 1HG2 ILE 6 HG21 ILE 6 -10.163 -13.331 0.478 289 2HG2 ILE 6 HG22 ILE 6 -8.451 -13.652 0.752 290 3HG2 ILE 6 HG23 ILE 6 -9.650 -14.194 1.929 291 1HD1 ILE 6 HD11 ILE 6 -10.711 -16.322 2.212 292 2HD1 ILE 6 HD12 ILE 6 -12.159 -17.044 1.509 293 3HD1 ILE 6 HD13 ILE 6 -12.132 -15.326 1.904 294 H GLU 7 HN GLU 7 -7.294 -16.948 -0.942 295 HA GLU 7 HA GLU 7 -5.087 -15.401 -0.231 296 1HB GLU 7 HB2 GLU 7 -5.601 -18.073 -0.373 297 2HB GLU 7 HB1 GLU 7 -4.486 -17.875 -1.717 298 1HG GLU 7 HG2 GLU 7 -3.116 -16.530 0.109 299 2HG GLU 7 HG1 GLU 7 -4.028 -17.578 1.194 300 H GLN 8 HN GLN 8 -6.367 -16.247 -3.362 301 HA GLN 8 HA GLN 8 -4.041 -15.390 -4.819 302 1HB GLN 8 HB2 GLN 8 -5.552 -17.086 -5.744 303 2HB GLN 8 HB1 GLN 8 -6.870 -15.922 -5.749 304 1HG GLN 8 HG2 GLN 8 -5.856 -16.270 -7.968 305 2HG GLN 8 HG1 GLN 8 -5.776 -14.597 -7.418 306 1HE2 GLN 8 HE21 GLN 8 -3.776 -13.748 -6.756 307 2HE2 GLN 8 HE22 GLN 8 -2.285 -14.470 -7.247 308 H LYS 9 HN LYS 9 -7.161 -14.038 -3.925 309 HA LYS 9 HA LYS 9 -7.047 -11.688 -5.445 310 1HB LYS 9 HB2 LYS 9 -8.551 -12.611 -3.061 311 2HB LYS 9 HB1 LYS 9 -8.480 -10.874 -3.322 312 1HG LYS 9 HG2 LYS 9 -9.271 -11.362 -5.692 313 2HG LYS 9 HG1 LYS 9 -9.651 -12.982 -5.103 314 1HD LYS 9 HD2 LYS 9 -10.639 -10.638 -3.555 315 2HD LYS 9 HD1 LYS 9 -11.449 -11.047 -5.069 316 1HE LYS 9 HE2 LYS 9 -11.727 -13.369 -4.221 317 2HE LYS 9 HE1 LYS 9 -11.055 -12.842 -2.678 318 1HZ LYS 9 HZ1 LYS 9 -12.955 -11.052 -2.930 319 2HZ LYS 9 HZ2 LYS 9 -13.250 -12.572 -2.246 320 3HZ LYS 9 HZ3 LYS 9 -13.666 -12.275 -3.859 321 H ILE 10 HN ILE 10 -5.816 -12.453 -2.224 322 HA ILE 10 HA ILE 10 -4.984 -9.805 -1.618 323 HB ILE 10 HB ILE 10 -3.495 -10.916 0.078 324 1HG1 ILE 10 HG12 ILE 10 -4.990 -13.421 -0.711 325 2HG1 ILE 10 HG11 ILE 10 -3.325 -13.085 -1.175 326 1HG2 ILE 10 HG21 ILE 10 -5.222 -11.067 1.580 327 2HG2 ILE 10 HG22 ILE 10 -6.273 -11.918 0.448 328 3HG2 ILE 10 HG23 ILE 10 -6.003 -10.185 0.267 329 1HD1 ILE 10 HD11 ILE 10 -3.433 -14.561 0.747 330 2HD1 ILE 10 HD12 ILE 10 -4.344 -13.344 1.640 331 3HD1 ILE 10 HD13 ILE 10 -2.675 -13.025 1.167 332 H ASP 11 HN ASP 11 -3.311 -12.626 -2.988 333 HA ASP 11 HA ASP 11 -0.714 -11.713 -3.015 334 1HB ASP 11 HB2 ASP 11 -1.537 -13.952 -3.847 335 2HB ASP 11 HB1 ASP 11 -2.021 -13.147 -5.337 336 H ASP 12 HN ASP 12 -3.404 -10.823 -5.047 337 HA ASP 12 HA ASP 12 -1.928 -9.289 -6.936 338 1HB ASP 12 HB2 ASP 12 -4.787 -9.669 -6.237 339 2HB ASP 12 HB1 ASP 12 -4.378 -8.151 -7.032 340 H ILE 13 HN ILE 13 -3.662 -8.559 -3.955 341 HA ILE 13 HA ILE 13 -3.302 -5.774 -3.973 342 HB ILE 13 HB ILE 13 -3.412 -7.487 -1.492 343 1HG1 ILE 13 HG12 ILE 13 -5.668 -6.520 -3.262 344 2HG1 ILE 13 HG11 ILE 13 -5.239 -8.191 -2.911 345 1HG2 ILE 13 HG21 ILE 13 -4.831 -4.935 -1.557 346 2HG2 ILE 13 HG22 ILE 13 -3.087 -4.783 -1.771 347 3HG2 ILE 13 HG23 ILE 13 -3.733 -5.594 -0.344 348 1HD1 ILE 13 HD11 ILE 13 -6.702 -8.158 -1.259 349 2HD1 ILE 13 HD12 ILE 13 -6.992 -6.435 -1.496 350 3HD1 ILE 13 HD13 ILE 13 -5.693 -6.972 -0.431 351 H ASP 14 HN ASP 14 -1.390 -8.368 -2.454 352 HA ASP 14 HA ASP 14 0.535 -6.910 -1.163 353 1HB ASP 14 HB2 ASP 14 0.205 -9.511 -1.503 354 2HB ASP 14 HB1 ASP 14 1.427 -9.279 -2.748 355 H HIS 15 HN HIS 15 0.246 -7.519 -4.606 356 HA HIS 15 HA HIS 15 2.827 -6.476 -5.274 357 1HB HIS 15 HB2 HIS 15 1.376 -8.082 -6.661 358 2HB HIS 15 HB1 HIS 15 0.475 -6.649 -7.149 359 HD1 HIS 15 HD1 HIS 15 3.914 -5.704 -6.802 360 HD2 HIS 15 HD2 HIS 15 1.662 -7.616 -9.724 361 HE1 HIS 15 HE1 HIS 15 5.260 -5.516 -8.918 362 HE2 HIS 15 HE2 HIS 15 3.839 -6.606 -10.690 363 H GLU 16 HN GLU 16 -0.349 -5.171 -4.781 364 HA GLU 16 HA GLU 16 0.298 -2.632 -6.003 365 1HB GLU 16 HB2 GLU 16 -2.120 -3.213 -4.310 366 2HB GLU 16 HB1 GLU 16 -1.945 -2.012 -5.584 367 1HG GLU 16 HG2 GLU 16 -1.648 -4.888 -6.283 368 2HG GLU 16 HG1 GLU 16 -3.262 -4.247 -5.976 369 H ILE 17 HN ILE 17 -0.061 -3.980 -2.782 370 HA ILE 17 HA ILE 17 0.038 -1.633 -1.274 371 HB ILE 17 HB ILE 17 1.231 -4.283 -0.454 372 1HG1 ILE 17 HG12 ILE 17 -1.582 -3.502 0.183 373 2HG1 ILE 17 HG11 ILE 17 -1.234 -4.194 -1.395 374 1HG2 ILE 17 HG21 ILE 17 1.736 -3.061 1.355 375 2HG2 ILE 17 HG22 ILE 17 0.018 -3.200 1.734 376 3HG2 ILE 17 HG23 ILE 17 0.627 -1.764 0.908 377 1HD1 ILE 17 HD11 ILE 17 0.040 -5.855 0.451 378 2HD1 ILE 17 HD12 ILE 17 -1.423 -6.192 -0.475 379 3HD1 ILE 17 HD13 ILE 17 -1.542 -5.491 1.139 380 H ALA 18 HN ALA 18 2.546 -3.552 -2.775 381 HA ALA 18 HA ALA 18 4.718 -2.181 -1.476 382 1HB ALA 18 HB1 ALA 18 5.858 -3.461 -3.592 383 2HB ALA 18 HB2 ALA 18 4.407 -4.428 -3.331 384 3HB ALA 18 HB3 ALA 18 5.557 -4.191 -2.016 385 H ASP 19 HN ASP 19 3.194 -2.117 -4.673 386 HA ASP 19 HA ASP 19 4.951 -0.430 -5.994 387 1HB ASP 19 HB2 ASP 19 2.625 -1.635 -6.668 388 2HB ASP 19 HB1 ASP 19 2.075 0.032 -6.523 389 H LEU 20 HN LEU 20 2.247 0.393 -3.864 390 HA LEU 20 HA LEU 20 2.411 3.194 -4.245 391 1HB LEU 20 HB2 LEU 20 1.357 1.764 -1.813 392 2HB LEU 20 HB1 LEU 20 0.958 3.386 -2.342 393 HG LEU 20 HG LEU 20 0.044 0.764 -3.461 394 1HD1 LEU 20 HD11 LEU 20 -1.290 1.899 -1.745 395 2HD1 LEU 20 HD12 LEU 20 -2.137 1.810 -3.289 396 3HD1 LEU 20 HD13 LEU 20 -1.391 3.323 -2.779 397 1HD2 LEU 20 HD21 LEU 20 0.168 3.398 -4.913 398 2HD2 LEU 20 HD22 LEU 20 -0.941 2.102 -5.359 399 3HD2 LEU 20 HD23 LEU 20 0.800 1.836 -5.435 400 H GLN 21 HN GLN 21 3.546 1.121 -1.578 401 HA GLN 21 HA GLN 21 4.741 3.043 -0.008 402 1HB GLN 21 HB2 GLN 21 4.543 0.346 0.116 403 2HB GLN 21 HB1 GLN 21 6.250 0.513 -0.267 404 1HG GLN 21 HG2 GLN 21 5.377 2.318 1.840 405 2HG GLN 21 HG1 GLN 21 5.131 0.618 2.236 406 1HE2 GLN 21 HE21 GLN 21 7.594 2.724 0.787 407 2HE2 GLN 21 HE22 GLN 21 8.938 1.984 1.582 408 H ALA 22 HN ALA 22 5.950 1.566 -2.948 409 HA ALA 22 HA ALA 22 8.612 2.576 -2.703 410 1HB ALA 22 HB1 ALA 22 7.176 1.643 -5.186 411 2HB ALA 22 HB2 ALA 22 8.038 0.594 -4.060 412 3HB ALA 22 HB3 ALA 22 8.919 1.817 -4.976 413 H LYS 23 HN LYS 23 5.617 3.788 -4.016 414 HA LYS 23 HA LYS 23 6.765 5.881 -5.571 415 1HB LYS 23 HB2 LYS 23 4.022 5.168 -4.642 416 2HB LYS 23 HB1 LYS 23 4.305 6.802 -5.223 417 1HG LYS 23 HG2 LYS 23 4.327 6.149 -7.348 418 2HG LYS 23 HG1 LYS 23 5.418 4.805 -7.005 419 1HD LYS 23 HD2 LYS 23 3.547 3.666 -7.690 420 2HD LYS 23 HD1 LYS 23 3.259 3.742 -5.951 421 1HE LYS 23 HE2 LYS 23 2.189 5.788 -7.879 422 2HE LYS 23 HE1 LYS 23 1.299 4.331 -7.441 423 1HZ LYS 23 HZ1 LYS 23 1.587 5.080 -5.068 424 2HZ LYS 23 HZ2 LYS 23 0.540 6.014 -6.013 425 3HZ LYS 23 HZ3 LYS 23 2.102 6.571 -5.680 426 H ARG 24 HN ARG 24 5.707 5.583 -2.243 427 HA ARG 24 HA ARG 24 5.698 8.361 -1.647 428 1HB ARG 24 HB2 ARG 24 5.313 5.868 -0.223 429 2HB ARG 24 HB1 ARG 24 6.265 6.997 0.731 430 1HG ARG 24 HG2 ARG 24 4.383 8.685 0.033 431 2HG ARG 24 HG1 ARG 24 3.454 7.204 -0.206 432 1HD ARG 24 HD2 ARG 24 3.074 7.106 1.975 433 2HD ARG 24 HD1 ARG 24 4.806 6.953 2.260 434 HE ARG 24 HE ARG 24 3.817 9.651 1.882 435 1HH1 ARG 24 HH11 ARG 24 4.665 7.144 4.161 436 2HH1 ARG 24 HH12 ARG 24 4.892 8.246 5.476 437 1HH2 ARG 24 HH21 ARG 24 4.114 11.097 3.612 438 2HH2 ARG 24 HH22 ARG 24 4.579 10.488 5.165 439 H THR 25 HN THR 25 8.126 5.807 -1.229 440 HA THR 25 HA THR 25 10.053 7.368 0.091 441 HB THR 25 HB THR 25 11.068 5.277 -1.714 442 HG1 THR 25 HG1 THR 25 9.224 4.636 0.341 443 1HG2 THR 25 HG21 THR 25 11.530 6.223 1.002 444 2HG2 THR 25 HG22 THR 25 12.636 5.471 -0.148 445 3HG2 THR 25 HG23 THR 25 11.568 4.468 0.834 446 H ARG 26 HN ARG 26 9.884 6.437 -3.351 447 HA ARG 26 HA ARG 26 12.071 7.812 -4.285 448 1HB ARG 26 HB2 ARG 26 11.051 7.780 -6.465 449 2HB ARG 26 HB1 ARG 26 10.644 6.286 -5.634 450 1HG ARG 26 HG2 ARG 26 8.429 7.087 -5.165 451 2HG ARG 26 HG1 ARG 26 8.822 8.674 -5.829 452 1HD ARG 26 HD2 ARG 26 9.428 6.641 -7.757 453 2HD ARG 26 HD1 ARG 26 7.775 6.436 -7.181 454 HE ARG 26 HE ARG 26 7.197 8.458 -8.144 455 1HH1 ARG 26 HH11 ARG 26 10.648 7.962 -8.377 456 2HH1 ARG 26 HH12 ARG 26 10.879 9.247 -9.513 457 1HH2 ARG 26 HH21 ARG 26 7.505 10.145 -9.637 458 2HH2 ARG 26 HH22 ARG 26 9.098 10.486 -10.227 459 H LEU 27 HN LEU 27 8.826 9.043 -3.665 460 HA LEU 27 HA LEU 27 9.273 11.646 -4.685 461 1HB LEU 27 HB2 LEU 27 7.244 10.362 -2.931 462 2HB LEU 27 HB1 LEU 27 7.358 12.111 -2.885 463 HG LEU 27 HG LEU 27 7.134 10.764 -5.539 464 1HD1 LEU 27 HD11 LEU 27 4.759 11.356 -3.784 465 2HD1 LEU 27 HD12 LEU 27 5.407 9.741 -4.069 466 3HD1 LEU 27 HD13 LEU 27 4.746 10.676 -5.411 467 1HD2 LEU 27 HD21 LEU 27 7.386 13.343 -4.824 468 2HD2 LEU 27 HD22 LEU 27 5.629 13.196 -4.820 469 3HD2 LEU 27 HD23 LEU 27 6.542 12.813 -6.279 470 H VAL 28 HN VAL 28 9.722 10.159 -1.517 471 HA VAL 28 HA VAL 28 10.278 12.509 -0.071 472 HB VAL 28 HB VAL 28 11.453 9.781 0.442 473 1HG1 VAL 28 HG11 VAL 28 12.547 11.009 1.987 474 2HG1 VAL 28 HG12 VAL 28 11.027 10.866 2.869 475 3HG1 VAL 28 HG13 VAL 28 11.369 12.321 1.934 476 1HG2 VAL 28 HG21 VAL 28 8.718 10.628 0.496 477 2HG2 VAL 28 HG22 VAL 28 9.250 10.253 2.134 478 3HG2 VAL 28 HG23 VAL 28 9.398 9.042 0.862 479 H GLN 29 HN GLN 29 12.407 10.227 -1.751 480 HA GLN 29 HA GLN 29 14.864 11.344 -1.146 481 1HB GLN 29 HB2 GLN 29 13.792 9.730 -3.396 482 2HB GLN 29 HB1 GLN 29 15.318 10.558 -3.681 483 1HG GLN 29 HG2 GLN 29 15.854 8.393 -2.920 484 2HG GLN 29 HG1 GLN 29 16.173 9.490 -1.577 485 1HE2 GLN 29 HE21 GLN 29 14.388 9.712 0.015 486 2HE2 GLN 29 HE22 GLN 29 13.490 8.292 0.416 487 H GLN 30 HN GLN 30 12.405 12.378 -3.392 488 HA GLN 30 HA GLN 30 13.981 14.305 -4.771 489 1HB GLN 30 HB2 GLN 30 11.688 13.227 -5.414 490 2HB GLN 30 HB1 GLN 30 11.007 14.535 -4.457 491 1HG GLN 30 HG2 GLN 30 11.061 15.734 -6.324 492 2HG GLN 30 HG1 GLN 30 12.804 15.831 -6.081 493 1HE2 GLN 30 HE21 GLN 30 10.954 15.648 -8.490 494 2HE2 GLN 30 HE22 GLN 30 11.663 14.407 -9.460 495 H HIS 31 HN HIS 31 12.135 14.293 -1.802 496 HA HIS 31 HA HIS 31 13.176 16.958 -1.211 497 1HB HIS 31 HB2 HIS 31 11.035 17.783 -0.401 498 2HB HIS 31 HB1 HIS 31 10.903 17.323 -2.094 499 HD1 HIS 31 HD1 HIS 31 9.797 14.859 -2.472 500 HD2 HIS 31 HD2 HIS 31 9.138 16.679 1.200 501 HE1 HIS 31 HE1 HIS 31 7.804 13.689 -1.488 502 HE2 HIS 31 HE2 HIS 31 7.552 14.679 0.811 503 HA PRO 32 HA PRO 32 13.533 13.943 2.317 504 1HB PRO 32 HB2 PRO 32 16.169 14.338 2.780 505 2HB PRO 32 HB1 PRO 32 15.578 13.183 1.580 506 1HG PRO 32 HG2 PRO 32 16.606 15.967 1.183 507 2HG PRO 32 HG1 PRO 32 16.942 14.504 0.237 508 1HD PRO 32 HD2 PRO 32 15.150 16.386 -0.549 509 2HD PRO 32 HD1 PRO 32 14.975 14.665 -0.946 510 H ARG 33 HN ARG 33 14.624 17.238 1.820 511 HA ARG 33 HA ARG 33 14.521 17.753 4.704 512 1HB ARG 33 HB2 ARG 33 15.492 19.542 2.469 513 2HB ARG 33 HB1 ARG 33 15.620 19.875 4.190 514 1HG ARG 33 HG2 ARG 33 17.538 18.780 4.304 515 2HG ARG 33 HG1 ARG 33 16.793 17.329 3.631 516 1HD ARG 33 HD2 ARG 33 17.676 17.683 1.604 517 2HD ARG 33 HD1 ARG 33 17.292 19.403 1.640 518 HE ARG 33 HE ARG 33 19.498 18.699 3.334 519 1HH1 ARG 33 HH11 ARG 33 18.564 19.514 0.071 520 2HH1 ARG 33 HH12 ARG 33 20.134 20.097 -0.366 521 1HH2 ARG 33 HH21 ARG 33 21.565 19.465 2.760 522 2HH2 ARG 33 HH22 ARG 33 21.838 20.068 1.159 Start of MODEL 43 1 H CYS 1 HT1 CYS 1 13.771 20.418 -4.899 2 HA CYS 1 HA CYS 1 13.603 22.720 -5.804 3 1HB CYS 1 HB2 CYS 1 12.751 21.051 -8.173 4 2HB CYS 1 HB1 CYS 1 12.305 22.744 -7.990 5 HG CYS 1 HG CYS 1 14.563 22.253 -9.442 6 H GLY 2 HN GLY 2 12.148 23.103 -4.241 7 1HA GLY 2 HA2 GLY 2 9.631 23.403 -4.171 8 2HA GLY 2 HA1 GLY 2 9.578 21.658 -4.362 9 H GLY 3 HN GLY 3 8.666 23.525 -2.183 10 1HA GLY 3 HA2 GLY 3 10.343 23.001 0.080 11 2HA GLY 3 HA1 GLY 3 8.721 23.677 0.119 12 H ASP 4 HN ASP 4 7.344 22.484 1.237 13 HA ASP 4 HA ASP 4 7.874 19.644 1.621 14 1HB ASP 4 HB2 ASP 4 5.798 21.438 2.880 15 2HB ASP 4 HB1 ASP 4 6.118 19.766 3.333 16 H ASN 5 HN ASN 5 6.566 21.109 -0.823 17 HA ASN 5 HA ASN 5 3.931 20.333 -1.131 18 1HB ASN 5 HB2 ASN 5 5.673 21.609 -2.725 19 2HB ASN 5 HB1 ASN 5 5.710 20.026 -3.496 20 1HD2 ASN 5 HD21 ASN 5 3.269 19.107 -3.483 21 2HD2 ASN 5 HD22 ASN 5 2.158 20.175 -4.266 22 H ILE 6 HN ILE 6 6.841 18.469 -1.217 23 HA ILE 6 HA ILE 6 5.656 16.121 -2.385 24 HB ILE 6 HB ILE 6 8.243 16.305 -0.848 25 1HG1 ILE 6 HG12 ILE 6 7.939 16.601 -3.838 26 2HG1 ILE 6 HG11 ILE 6 8.018 17.984 -2.752 27 1HG2 ILE 6 HG21 ILE 6 7.300 14.056 -1.344 28 2HG2 ILE 6 HG22 ILE 6 8.886 14.351 -2.060 29 3HG2 ILE 6 HG23 ILE 6 7.437 14.431 -3.062 30 1HD1 ILE 6 HD11 ILE 6 10.231 17.730 -2.374 31 2HD1 ILE 6 HD12 ILE 6 10.153 16.968 -3.963 32 3HD1 ILE 6 HD13 ILE 6 10.167 15.973 -2.507 33 H GLU 7 HN GLU 7 6.671 17.187 0.826 34 HA GLU 7 HA GLU 7 6.106 14.867 2.263 35 1HB GLU 7 HB2 GLU 7 7.089 17.331 2.889 36 2HB GLU 7 HB1 GLU 7 5.502 17.402 3.643 37 1HG GLU 7 HG2 GLU 7 5.970 15.496 4.989 38 2HG GLU 7 HG1 GLU 7 7.460 15.167 4.105 39 H GLN 8 HN GLN 8 4.002 17.345 1.025 40 HA GLN 8 HA GLN 8 1.723 16.501 2.582 41 1HB GLN 8 HB2 GLN 8 2.015 18.854 1.856 42 2HB GLN 8 HB1 GLN 8 1.864 18.336 0.183 43 1HG GLN 8 HG2 GLN 8 -0.235 19.194 0.782 44 2HG GLN 8 HG1 GLN 8 -0.414 17.440 0.796 45 1HE2 GLN 8 HE21 GLN 8 -1.660 19.852 2.255 46 2HE2 GLN 8 HE22 GLN 8 -1.701 19.335 3.902 47 H LYS 9 HN LYS 9 2.918 16.151 -0.710 48 HA LYS 9 HA LYS 9 0.693 14.828 -1.796 49 1HB LYS 9 HB2 LYS 9 2.615 15.823 -3.080 50 2HB LYS 9 HB1 LYS 9 3.577 14.432 -2.601 51 1HG LYS 9 HG2 LYS 9 1.824 12.990 -3.695 52 2HG LYS 9 HG1 LYS 9 1.142 14.475 -4.360 53 1HD LYS 9 HD2 LYS 9 4.040 14.167 -4.740 54 2HD LYS 9 HD1 LYS 9 3.050 12.971 -5.577 55 1HE LYS 9 HE2 LYS 9 1.696 15.259 -6.129 56 2HE LYS 9 HE1 LYS 9 3.355 15.853 -6.062 57 1HZ LYS 9 HZ1 LYS 9 3.946 14.060 -7.647 58 2HZ LYS 9 HZ2 LYS 9 2.876 15.202 -8.287 59 3HZ LYS 9 HZ3 LYS 9 2.303 13.689 -7.798 60 H ILE 10 HN ILE 10 3.434 13.683 0.072 61 HA ILE 10 HA ILE 10 2.957 10.911 -0.405 62 HB ILE 10 HB ILE 10 4.387 10.556 1.623 63 1HG1 ILE 10 HG12 ILE 10 4.831 13.539 1.461 64 2HG1 ILE 10 HG11 ILE 10 3.846 12.754 2.690 65 1HG2 ILE 10 HG21 ILE 10 6.397 10.999 0.465 66 2HG2 ILE 10 HG22 ILE 10 5.678 12.350 -0.411 67 3HG2 ILE 10 HG23 ILE 10 5.175 10.699 -0.770 68 1HD1 ILE 10 HD11 ILE 10 5.773 11.554 3.511 69 2HD1 ILE 10 HD12 ILE 10 6.091 13.289 3.489 70 3HD1 ILE 10 HD13 ILE 10 6.773 12.251 2.236 71 H ASP 11 HN ASP 11 2.087 13.146 2.221 72 HA ASP 11 HA ASP 11 0.983 11.362 4.019 73 1HB ASP 11 HB2 ASP 11 1.181 14.031 3.983 74 2HB ASP 11 HB1 ASP 11 -0.514 13.892 3.528 75 H ASP 12 HN ASP 12 -0.287 12.609 1.022 76 HA ASP 12 HA ASP 12 -2.947 11.651 1.317 77 1HB ASP 12 HB2 ASP 12 -1.276 12.701 -0.903 78 2HB ASP 12 HB1 ASP 12 -2.638 11.688 -1.365 79 H ILE 13 HN ILE 13 -0.047 10.374 -0.252 80 HA ILE 13 HA ILE 13 -1.158 7.976 -1.190 81 HB ILE 13 HB ILE 13 1.696 8.400 -0.300 82 1HG1 ILE 13 HG12 ILE 13 0.369 8.992 -2.951 83 2HG1 ILE 13 HG11 ILE 13 1.082 10.162 -1.846 84 1HG2 ILE 13 HG21 ILE 13 1.228 6.709 -2.613 85 2HG2 ILE 13 HG22 ILE 13 0.427 6.102 -1.165 86 3HG2 ILE 13 HG23 ILE 13 2.166 6.394 -1.154 87 1HD1 ILE 13 HD11 ILE 13 2.785 9.983 -3.322 88 2HD1 ILE 13 HD12 ILE 13 2.379 8.323 -3.761 89 3HD1 ILE 13 HD13 ILE 13 3.226 8.654 -2.250 90 H ASP 14 HN ASP 14 0.526 8.749 1.845 91 HA ASP 14 HA ASP 14 0.663 6.278 3.024 92 1HB ASP 14 HB2 ASP 14 1.200 8.787 3.863 93 2HB ASP 14 HB1 ASP 14 -0.255 8.464 4.799 94 H HIS 15 HN HIS 15 -2.153 8.319 2.610 95 HA HIS 15 HA HIS 15 -3.835 6.766 4.338 96 1HB HIS 15 HB2 HIS 15 -4.127 9.234 3.633 97 2HB HIS 15 HB1 HIS 15 -4.822 8.583 2.151 98 HD1 HIS 15 HD1 HIS 15 -5.496 6.884 5.408 99 HD2 HIS 15 HD2 HIS 15 -7.370 9.545 2.826 100 HE1 HIS 15 HE1 HIS 15 -7.884 7.004 6.185 101 HE2 HIS 15 HE2 HIS 15 -8.977 8.688 4.662 102 H GLU 16 HN GLU 16 -2.929 6.718 0.981 103 HA GLU 16 HA GLU 16 -5.044 4.897 0.236 104 1HB GLU 16 HB2 GLU 16 -2.622 5.548 -1.425 105 2HB GLU 16 HB1 GLU 16 -4.217 5.046 -1.971 106 1HG GLU 16 HG2 GLU 16 -5.152 7.147 -1.534 107 2HG GLU 16 HG1 GLU 16 -3.789 7.639 -0.531 108 H ILE 17 HN ILE 17 -1.660 4.758 1.082 109 HA ILE 17 HA ILE 17 -1.110 2.133 0.213 110 HB ILE 17 HB ILE 17 0.168 3.548 2.557 111 1HG1 ILE 17 HG12 ILE 17 1.305 3.611 -0.204 112 2HG1 ILE 17 HG11 ILE 17 0.026 4.744 0.209 113 1HG2 ILE 17 HG21 ILE 17 1.207 1.564 2.693 114 2HG2 ILE 17 HG22 ILE 17 2.117 2.130 1.291 115 3HG2 ILE 17 HG23 ILE 17 0.714 1.083 1.069 116 1HD1 ILE 17 HD11 ILE 17 1.472 6.058 1.238 117 2HD1 ILE 17 HD12 ILE 17 2.766 5.000 0.678 118 3HD1 ILE 17 HD13 ILE 17 2.027 4.731 2.257 119 H ALA 18 HN ALA 18 -2.497 3.462 3.143 120 HA ALA 18 HA ALA 18 -2.443 0.988 4.601 121 1HB ALA 18 HB1 ALA 18 -2.464 2.620 6.151 122 2HB ALA 18 HB2 ALA 18 -4.215 2.504 5.963 123 3HB ALA 18 HB3 ALA 18 -3.317 3.753 5.100 124 H ASP 19 HN ASP 19 -4.805 2.762 2.678 125 HA ASP 19 HA ASP 19 -7.119 1.390 3.370 126 1HB ASP 19 HB2 ASP 19 -6.565 3.388 1.640 127 2HB ASP 19 HB1 ASP 19 -6.799 2.063 0.503 128 H LEU 20 HN LEU 20 -4.771 0.637 0.813 129 HA LEU 20 HA LEU 20 -6.056 -1.679 -0.132 130 1HB LEU 20 HB2 LEU 20 -3.080 -1.304 -0.177 131 2HB LEU 20 HB1 LEU 20 -4.094 -2.134 -1.342 132 HG LEU 20 HG LEU 20 -3.713 0.820 -0.966 133 1HD1 LEU 20 HD11 LEU 20 -3.251 -1.182 -3.132 134 2HD1 LEU 20 HD12 LEU 20 -2.163 0.044 -2.484 135 3HD1 LEU 20 HD13 LEU 20 -3.497 0.518 -3.534 136 1HD2 LEU 20 HD21 LEU 20 -6.089 -0.612 -1.982 137 2HD2 LEU 20 HD22 LEU 20 -5.500 0.729 -2.966 138 3HD2 LEU 20 HD23 LEU 20 -5.946 1.001 -1.282 139 H GLN 21 HN GLN 21 -3.326 -1.330 2.130 140 HA GLN 21 HA GLN 21 -2.856 -3.976 2.704 141 1HB GLN 21 HB2 GLN 21 -1.686 -1.832 3.570 142 2HB GLN 21 HB1 GLN 21 -2.845 -1.914 4.889 143 1HG GLN 21 HG2 GLN 21 -1.771 -3.594 5.887 144 2HG GLN 21 HG1 GLN 21 -1.482 -4.441 4.368 145 1HE2 GLN 21 HE21 GLN 21 0.560 -4.782 5.727 146 2HE2 GLN 21 HE22 GLN 21 1.845 -3.663 5.443 147 H ALA 22 HN ALA 22 -5.503 -1.973 3.774 148 HA ALA 22 HA ALA 22 -6.403 -3.721 5.846 149 1HB ALA 22 HB1 ALA 22 -6.943 -1.156 5.232 150 2HB ALA 22 HB2 ALA 22 -7.969 -2.151 6.264 151 3HB ALA 22 HB3 ALA 22 -8.371 -1.943 4.560 152 H LYS 23 HN LYS 23 -7.068 -3.370 2.418 153 HA LYS 23 HA LYS 23 -9.344 -5.049 2.327 154 1HB LYS 23 HB2 LYS 23 -7.393 -4.616 0.070 155 2HB LYS 23 HB1 LYS 23 -9.101 -5.012 -0.047 156 1HG LYS 23 HG2 LYS 23 -7.893 -2.413 0.869 157 2HG LYS 23 HG1 LYS 23 -8.811 -2.710 -0.609 158 1HD LYS 23 HD2 LYS 23 -10.822 -3.052 0.607 159 2HD LYS 23 HD1 LYS 23 -9.959 -3.113 2.145 160 1HE LYS 23 HE2 LYS 23 -9.216 -0.672 1.206 161 2HE LYS 23 HE1 LYS 23 -10.853 -0.805 0.565 162 1HZ LYS 23 HZ1 LYS 23 -10.748 0.229 2.783 163 2HZ LYS 23 HZ2 LYS 23 -10.132 -1.212 3.417 164 3HZ LYS 23 HZ3 LYS 23 -11.692 -1.175 2.763 165 H ARG 24 HN ARG 24 -5.894 -5.676 2.176 166 HA ARG 24 HA ARG 24 -6.121 -8.373 1.278 167 1HB ARG 24 HB2 ARG 24 -3.996 -6.558 2.098 168 2HB ARG 24 HB1 ARG 24 -3.716 -8.201 2.655 169 1HG ARG 24 HG2 ARG 24 -4.316 -8.817 0.183 170 2HG ARG 24 HG1 ARG 24 -3.867 -7.139 -0.117 171 1HD ARG 24 HD2 ARG 24 -1.726 -7.712 -0.091 172 2HD ARG 24 HD1 ARG 24 -1.896 -8.258 1.575 173 HE ARG 24 HE ARG 24 -2.713 -10.129 -0.491 174 1HH1 ARG 24 HH11 ARG 24 -0.198 -9.094 1.703 175 2HH1 ARG 24 HH12 ARG 24 0.629 -10.614 1.665 176 1HH2 ARG 24 HH21 ARG 24 -1.622 -12.124 -0.541 177 2HH2 ARG 24 HH22 ARG 24 -0.176 -12.332 0.391 178 H THR 25 HN THR 25 -5.629 -6.906 4.479 179 HA THR 25 HA THR 25 -5.408 -9.265 5.953 180 HB THR 25 HB THR 25 -6.829 -7.010 7.229 181 HG1 THR 25 HG1 THR 25 -4.188 -6.734 6.237 182 1HG2 THR 25 HG21 THR 25 -5.788 -8.900 8.483 183 2HG2 THR 25 HG22 THR 25 -5.261 -7.291 8.977 184 3HG2 THR 25 HG23 THR 25 -4.216 -8.289 7.965 185 H ARG 26 HN ARG 26 -8.290 -7.248 5.398 186 HA ARG 26 HA ARG 26 -10.148 -8.740 6.782 187 1HB ARG 26 HB2 ARG 26 -11.839 -7.782 5.256 188 2HB ARG 26 HB1 ARG 26 -10.690 -6.579 5.824 189 1HG ARG 26 HG2 ARG 26 -9.496 -6.693 3.711 190 2HG ARG 26 HG1 ARG 26 -10.605 -7.939 3.138 191 1HD ARG 26 HD2 ARG 26 -12.408 -6.110 3.761 192 2HD ARG 26 HD1 ARG 26 -11.045 -5.021 3.513 193 HE ARG 26 HE ARG 26 -10.995 -6.560 1.297 194 1HH1 ARG 26 HH11 ARG 26 -13.532 -4.739 2.856 195 2HH1 ARG 26 HH12 ARG 26 -14.379 -4.417 1.381 196 1HH2 ARG 26 HH21 ARG 26 -12.107 -6.137 -0.644 197 2HH2 ARG 26 HH22 ARG 26 -13.570 -5.211 -0.607 198 H LEU 27 HN LEU 27 -9.036 -9.165 3.451 199 HA LEU 27 HA LEU 27 -10.756 -11.322 2.833 200 1HB LEU 27 HB2 LEU 27 -8.373 -10.070 1.629 201 2HB LEU 27 HB1 LEU 27 -8.614 -11.758 1.223 202 HG LEU 27 HG LEU 27 -10.832 -11.262 0.340 203 1HD1 LEU 27 HD11 LEU 27 -11.721 -9.059 0.222 204 2HD1 LEU 27 HD12 LEU 27 -10.238 -8.360 0.871 205 3HD1 LEU 27 HD13 LEU 27 -11.269 -9.354 1.901 206 1HD2 LEU 27 HD21 LEU 27 -9.319 -11.162 -1.381 207 2HD2 LEU 27 HD22 LEU 27 -8.444 -9.801 -0.679 208 3HD2 LEU 27 HD23 LEU 27 -10.006 -9.539 -1.456 209 H VAL 28 HN VAL 28 -7.580 -11.115 4.336 210 HA VAL 28 HA VAL 28 -6.940 -13.862 4.228 211 HB VAL 28 HB VAL 28 -6.119 -11.908 6.370 212 1HG1 VAL 28 HG11 VAL 28 -5.297 -13.830 7.222 213 2HG1 VAL 28 HG12 VAL 28 -4.013 -13.549 6.045 214 3HG1 VAL 28 HG13 VAL 28 -5.331 -14.659 5.666 215 1HG2 VAL 28 HG21 VAL 28 -4.880 -10.824 4.877 216 2HG2 VAL 28 HG22 VAL 28 -5.568 -11.823 3.598 217 3HG2 VAL 28 HG23 VAL 28 -4.088 -12.328 4.411 218 H GLN 29 HN GLN 29 -8.536 -11.896 6.705 219 HA GLN 29 HA GLN 29 -8.908 -13.813 8.664 220 1HB GLN 29 HB2 GLN 29 -10.072 -11.246 7.979 221 2HB GLN 29 HB1 GLN 29 -11.289 -12.331 8.638 222 1HG GLN 29 HG2 GLN 29 -10.519 -12.068 10.696 223 2HG GLN 29 HG1 GLN 29 -8.871 -12.444 10.196 224 1HE2 GLN 29 HE21 GLN 29 -7.430 -10.876 10.325 225 2HE2 GLN 29 HE22 GLN 29 -7.775 -9.189 10.463 226 H GLN 30 HN GLN 30 -10.597 -13.302 5.651 227 HA GLN 30 HA GLN 30 -12.759 -15.076 6.146 228 1HB GLN 30 HB2 GLN 30 -12.230 -13.249 4.220 229 2HB GLN 30 HB1 GLN 30 -11.833 -14.729 3.358 230 1HG GLN 30 HG2 GLN 30 -14.459 -14.011 4.633 231 2HG GLN 30 HG1 GLN 30 -14.109 -14.168 2.913 232 1HE2 GLN 30 HE21 GLN 30 -14.396 -16.080 1.973 233 2HE2 GLN 30 HE22 GLN 30 -14.734 -17.560 2.799 234 H HIS 31 HN HIS 31 -9.486 -15.461 4.963 235 HA HIS 31 HA HIS 31 -9.822 -18.356 5.139 236 1HB HIS 31 HB2 HIS 31 -8.680 -18.758 3.012 237 2HB HIS 31 HB1 HIS 31 -10.172 -17.857 2.768 238 HD1 HIS 31 HD1 HIS 31 -9.818 -15.196 2.415 239 HD2 HIS 31 HD2 HIS 31 -6.472 -17.602 1.914 240 HE1 HIS 31 HE1 HIS 31 -8.192 -13.820 1.087 241 HE2 HIS 31 HE2 HIS 31 -6.107 -15.226 0.971 242 HA PRO 32 HA PRO 32 -5.914 -16.792 7.104 243 1HB PRO 32 HB2 PRO 32 -6.184 -18.217 9.395 244 2HB PRO 32 HB1 PRO 32 -6.927 -16.630 9.162 245 1HG PRO 32 HG2 PRO 32 -8.152 -19.351 8.912 246 2HG PRO 32 HG1 PRO 32 -8.811 -17.893 9.677 247 1HD PRO 32 HD2 PRO 32 -9.544 -18.696 7.195 248 2HD PRO 32 HD1 PRO 32 -9.477 -16.986 7.666 249 H ARG 33 HN ARG 33 -4.275 -18.335 8.368 250 HA ARG 33 HA ARG 33 -2.643 -19.876 7.937 251 1HB ARG 33 HB2 ARG 33 -3.320 -22.125 8.358 252 2HB ARG 33 HB1 ARG 33 -4.338 -21.078 9.334 253 1HG ARG 33 HG2 ARG 33 -5.428 -21.771 6.693 254 2HG ARG 33 HG1 ARG 33 -5.249 -23.115 7.819 255 1HD ARG 33 HD2 ARG 33 -6.347 -21.291 9.457 256 2HD ARG 33 HD1 ARG 33 -7.046 -20.773 7.923 257 HE ARG 33 HE ARG 33 -7.503 -23.426 7.911 258 1HH1 ARG 33 HH11 ARG 33 -8.113 -20.945 10.288 259 2HH1 ARG 33 HH12 ARG 33 -9.500 -21.743 10.948 260 1HH2 ARG 33 HH21 ARG 33 -9.329 -24.477 8.777 261 2HH2 ARG 33 HH22 ARG 33 -10.192 -23.748 10.090 262 H CYS 1 HN CYS 1 -4.867 -22.412 4.442 263 HA CYS 1 HA CYS 1 -3.440 -21.152 2.431 264 1HB CYS 1 HB2 CYS 1 -3.519 -24.153 2.156 265 2HB CYS 1 HB1 CYS 1 -3.352 -23.091 0.762 266 HG CYS 1 HG CYS 1 -1.105 -23.979 2.424 267 H GLY 2 HN GLY 2 -4.764 -20.509 0.755 268 1HA GLY 2 HA2 GLY 2 -7.444 -21.723 0.628 269 2HA GLY 2 HA1 GLY 2 -7.287 -19.986 0.845 270 H GLY 3 HN GLY 3 -4.943 -21.583 -1.139 271 1HA GLY 3 HA2 GLY 3 -5.183 -20.010 -3.353 272 2HA GLY 3 HA1 GLY 3 -4.651 -21.683 -3.427 273 H ASP 4 HN ASP 4 -7.241 -19.469 -3.998 274 HA ASP 4 HA ASP 4 -8.573 -21.405 -5.679 275 1HB ASP 4 HB2 ASP 4 -9.798 -20.328 -3.144 276 2HB ASP 4 HB1 ASP 4 -10.795 -20.896 -4.485 277 H ASN 5 HN ASN 5 -9.941 -18.601 -4.079 278 HA ASN 5 HA ASN 5 -9.655 -16.976 -6.492 279 1HB ASN 5 HB2 ASN 5 -12.187 -17.987 -5.335 280 2HB ASN 5 HB1 ASN 5 -12.170 -16.272 -5.732 281 1HD2 ASN 5 HD21 ASN 5 -10.969 -15.932 -7.963 282 2HD2 ASN 5 HD22 ASN 5 -11.596 -16.909 -9.243 283 H ILE 6 HN ILE 6 -10.651 -17.205 -3.118 284 HA ILE 6 HA ILE 6 -10.544 -14.442 -2.522 285 HB ILE 6 HB ILE 6 -9.889 -16.530 -0.473 286 1HG1 ILE 6 HG12 ILE 6 -12.565 -16.083 -1.795 287 2HG1 ILE 6 HG11 ILE 6 -11.711 -17.603 -1.549 288 1HG2 ILE 6 HG21 ILE 6 -9.905 -14.116 0.061 289 2HG2 ILE 6 HG22 ILE 6 -11.037 -15.071 1.018 290 3HG2 ILE 6 HG23 ILE 6 -11.626 -14.084 -0.319 291 1HD1 ILE 6 HD11 ILE 6 -13.604 -16.258 0.153 292 2HD1 ILE 6 HD12 ILE 6 -12.101 -16.603 1.009 293 3HD1 ILE 6 HD13 ILE 6 -12.991 -17.910 0.228 294 H GLU 7 HN GLU 7 -8.277 -17.103 -2.019 295 HA GLU 7 HA GLU 7 -6.169 -15.602 -0.938 296 1HB GLU 7 HB2 GLU 7 -6.596 -18.239 -1.363 297 2HB GLU 7 HB1 GLU 7 -5.434 -17.906 -2.639 298 1HG GLU 7 HG2 GLU 7 -4.174 -16.708 -0.627 299 2HG GLU 7 HG1 GLU 7 -5.094 -17.892 0.300 300 H GLN 8 HN GLN 8 -7.150 -16.173 -4.245 301 HA GLN 8 HA GLN 8 -4.746 -15.072 -5.384 302 1HB GLN 8 HB2 GLN 8 -6.431 -16.778 -6.425 303 2HB GLN 8 HB1 GLN 8 -7.330 -15.339 -6.883 304 1HG GLN 8 HG2 GLN 8 -5.925 -14.848 -8.539 305 2HG GLN 8 HG1 GLN 8 -4.502 -15.178 -7.551 306 1HE2 GLN 8 HE21 GLN 8 -4.810 -15.862 -10.278 307 2HE2 GLN 8 HE22 GLN 8 -4.759 -17.584 -10.402 308 H LYS 9 HN LYS 9 -7.949 -13.945 -4.541 309 HA LYS 9 HA LYS 9 -7.934 -11.503 -5.915 310 1HB LYS 9 HB2 LYS 9 -9.648 -12.834 -4.142 311 2HB LYS 9 HB1 LYS 9 -9.285 -11.300 -3.364 312 1HG LYS 9 HG2 LYS 9 -10.001 -10.113 -5.380 313 2HG LYS 9 HG1 LYS 9 -10.380 -11.657 -6.146 314 1HD LYS 9 HD2 LYS 9 -11.602 -11.214 -3.503 315 2HD LYS 9 HD1 LYS 9 -12.174 -10.154 -4.792 316 1HE LYS 9 HE2 LYS 9 -12.521 -12.233 -6.179 317 2HE LYS 9 HE1 LYS 9 -12.220 -13.162 -4.712 318 1HZ LYS 9 HZ1 LYS 9 -14.472 -12.978 -4.623 319 2HZ LYS 9 HZ2 LYS 9 -14.511 -11.481 -5.411 320 3HZ LYS 9 HZ3 LYS 9 -14.064 -11.567 -3.782 321 H ILE 10 HN ILE 10 -6.665 -12.414 -2.751 322 HA ILE 10 HA ILE 10 -5.992 -9.762 -1.964 323 HB ILE 10 HB ILE 10 -4.458 -10.901 -0.324 324 1HG1 ILE 10 HG12 ILE 10 -5.821 -13.419 -1.282 325 2HG1 ILE 10 HG11 ILE 10 -4.171 -12.976 -1.709 326 1HG2 ILE 10 HG21 ILE 10 -6.332 -11.764 1.043 327 2HG2 ILE 10 HG22 ILE 10 -7.374 -11.644 -0.375 328 3HG2 ILE 10 HG23 ILE 10 -6.658 -10.189 0.320 329 1HD1 ILE 10 HD11 ILE 10 -5.189 -13.448 1.080 330 2HD1 ILE 10 HD12 ILE 10 -3.532 -13.039 0.631 331 3HD1 ILE 10 HD13 ILE 10 -4.232 -14.576 0.120 332 H ASP 11 HN ASP 11 -4.159 -12.407 -3.474 333 HA ASP 11 HA ASP 11 -1.617 -11.351 -3.429 334 1HB ASP 11 HB2 ASP 11 -3.088 -13.140 -5.301 335 2HB ASP 11 HB1 ASP 11 -1.568 -12.458 -5.871 336 H ASP 12 HN ASP 12 -4.340 -10.494 -5.433 337 HA ASP 12 HA ASP 12 -2.937 -8.814 -7.249 338 1HB ASP 12 HB2 ASP 12 -5.751 -9.416 -6.611 339 2HB ASP 12 HB1 ASP 12 -5.474 -7.782 -7.205 340 H ILE 13 HN ILE 13 -4.785 -8.229 -4.292 341 HA ILE 13 HA ILE 13 -4.468 -5.446 -4.184 342 HB ILE 13 HB ILE 13 -4.643 -7.304 -1.811 343 1HG1 ILE 13 HG12 ILE 13 -6.832 -6.154 -3.551 344 2HG1 ILE 13 HG11 ILE 13 -6.439 -7.856 -3.328 345 1HG2 ILE 13 HG21 ILE 13 -6.016 -4.735 -1.695 346 2HG2 ILE 13 HG22 ILE 13 -4.269 -4.583 -1.890 347 3HG2 ILE 13 HG23 ILE 13 -4.928 -5.494 -0.531 348 1HD1 ILE 13 HD11 ILE 13 -7.820 -7.978 -1.610 349 2HD1 ILE 13 HD12 ILE 13 -8.285 -6.302 -1.900 350 3HD1 ILE 13 HD13 ILE 13 -6.968 -6.672 -0.787 351 H ASP 14 HN ASP 14 -2.536 -8.066 -2.743 352 HA ASP 14 HA ASP 14 -0.673 -6.620 -1.339 353 1HB ASP 14 HB2 ASP 14 -0.959 -9.229 -1.863 354 2HB ASP 14 HB1 ASP 14 0.371 -8.882 -2.962 355 H HIS 15 HN HIS 15 -0.924 -7.045 -4.803 356 HA HIS 15 HA HIS 15 1.662 -5.959 -5.391 357 1HB HIS 15 HB2 HIS 15 0.109 -7.490 -6.847 358 2HB HIS 15 HB1 HIS 15 -0.604 -5.962 -7.354 359 HD1 HIS 15 HD1 HIS 15 2.673 -4.953 -6.937 360 HD2 HIS 15 HD2 HIS 15 0.850 -7.447 -9.716 361 HE1 HIS 15 HE1 HIS 15 4.215 -4.987 -8.923 362 HE2 HIS 15 HE2 HIS 15 3.134 -6.573 -10.556 363 H GLU 16 HN GLU 16 -1.541 -4.715 -4.883 364 HA GLU 16 HA GLU 16 -0.910 -2.107 -5.958 365 1HB GLU 16 HB2 GLU 16 -3.337 -2.816 -4.325 366 2HB GLU 16 HB1 GLU 16 -3.164 -1.532 -5.517 367 1HG GLU 16 HG2 GLU 16 -3.223 -3.048 -7.311 368 2HG GLU 16 HG1 GLU 16 -2.957 -4.433 -6.252 369 H ILE 17 HN ILE 17 -1.202 -3.653 -2.828 370 HA ILE 17 HA ILE 17 -1.157 -1.349 -1.214 371 HB ILE 17 HB ILE 17 -0.013 -4.040 -0.467 372 1HG1 ILE 17 HG12 ILE 17 -2.835 -3.268 0.133 373 2HG1 ILE 17 HG11 ILE 17 -2.457 -3.884 -1.470 374 1HG2 ILE 17 HG21 ILE 17 -1.264 -3.041 1.730 375 2HG2 ILE 17 HG22 ILE 17 -0.657 -1.569 0.972 376 3HG2 ILE 17 HG23 ILE 17 0.458 -2.871 1.388 377 1HD1 ILE 17 HD11 ILE 17 -1.287 -5.550 0.557 378 2HD1 ILE 17 HD12 ILE 17 -2.428 -5.963 -0.723 379 3HD1 ILE 17 HD13 ILE 17 -3.020 -5.353 0.822 380 H ALA 18 HN ALA 18 1.355 -3.221 -2.768 381 HA ALA 18 HA ALA 18 3.513 -1.935 -1.356 382 1HB ALA 18 HB1 ALA 18 4.654 -3.698 -2.073 383 2HB ALA 18 HB2 ALA 18 4.395 -3.226 -3.751 384 3HB ALA 18 HB3 ALA 18 3.217 -4.252 -2.932 385 H ASP 19 HN ASP 19 1.955 -1.644 -4.507 386 HA ASP 19 HA ASP 19 3.755 0.009 -5.808 387 1HB ASP 19 HB2 ASP 19 1.355 -1.016 -6.466 388 2HB ASP 19 HB1 ASP 19 0.880 0.651 -6.159 389 H LEU 20 HN LEU 20 1.164 0.880 -3.557 390 HA LEU 20 HA LEU 20 1.570 3.686 -3.761 391 1HB LEU 20 HB2 LEU 20 0.371 2.290 -1.390 392 2HB LEU 20 HB1 LEU 20 0.030 3.903 -1.988 393 HG LEU 20 HG LEU 20 -0.838 1.277 -3.172 394 1HD1 LEU 20 HD11 LEU 20 -2.254 2.044 -1.409 395 2HD1 LEU 20 HD12 LEU 20 -3.077 2.342 -2.940 396 3HD1 LEU 20 HD13 LEU 20 -2.299 3.673 -2.082 397 1HD2 LEU 20 HD21 LEU 20 -0.028 2.854 -4.935 398 2HD2 LEU 20 HD22 LEU 20 -1.253 4.000 -4.391 399 3HD2 LEU 20 HD23 LEU 20 -1.738 2.438 -5.052 400 H GLN 21 HN GLN 21 2.486 1.306 -1.278 401 HA GLN 21 HA GLN 21 3.814 2.992 0.464 402 1HB GLN 21 HB2 GLN 21 3.285 0.523 0.757 403 2HB GLN 21 HB1 GLN 21 4.739 0.194 -0.176 404 1HG GLN 21 HG2 GLN 21 6.136 1.094 1.474 405 2HG GLN 21 HG1 GLN 21 4.796 1.895 2.291 406 1HE2 GLN 21 HE21 GLN 21 6.909 -0.426 2.743 407 2HE2 GLN 21 HE22 GLN 21 5.979 -1.569 3.646 408 H ALA 22 HN ALA 22 4.924 1.605 -2.559 409 HA ALA 22 HA ALA 22 7.665 2.330 -2.220 410 1HB ALA 22 HB1 ALA 22 6.001 1.207 -4.390 411 2HB ALA 22 HB2 ALA 22 7.568 0.684 -3.772 412 3HB ALA 22 HB3 ALA 22 7.468 2.057 -4.875 413 H LYS 23 HN LYS 23 4.824 3.913 -3.486 414 HA LYS 23 HA LYS 23 6.195 5.995 -4.865 415 1HB LYS 23 HB2 LYS 23 3.384 5.456 -4.049 416 2HB LYS 23 HB1 LYS 23 3.815 7.113 -4.451 417 1HG LYS 23 HG2 LYS 23 3.841 6.681 -6.633 418 2HG LYS 23 HG1 LYS 23 4.799 5.216 -6.414 419 1HD LYS 23 HD2 LYS 23 2.922 4.182 -7.113 420 2HD LYS 23 HD1 LYS 23 2.407 4.405 -5.439 421 1HE LYS 23 HE2 LYS 23 1.220 6.416 -6.020 422 2HE LYS 23 HE1 LYS 23 1.847 6.358 -7.667 423 1HZ LYS 23 HZ1 LYS 23 -0.519 5.487 -7.171 424 2HZ LYS 23 HZ2 LYS 23 0.276 4.099 -6.619 425 3HZ LYS 23 HZ3 LYS 23 0.480 4.609 -8.219 426 H ARG 24 HN ARG 24 5.025 5.567 -1.586 427 HA ARG 24 HA ARG 24 5.283 8.280 -0.783 428 1HB ARG 24 HB2 ARG 24 4.632 5.734 0.454 429 2HB ARG 24 HB1 ARG 24 5.641 6.721 1.504 430 1HG ARG 24 HG2 ARG 24 3.914 8.594 0.841 431 2HG ARG 24 HG1 ARG 24 2.882 7.199 0.522 432 1HD ARG 24 HD2 ARG 24 2.481 6.969 2.690 433 2HD ARG 24 HD1 ARG 24 4.206 6.800 3.010 434 HE ARG 24 HE ARG 24 3.182 9.506 2.708 435 1HH1 ARG 24 HH11 ARG 24 4.167 6.951 4.879 436 2HH1 ARG 24 HH12 ARG 24 4.406 8.018 6.221 437 1HH2 ARG 24 HH21 ARG 24 3.495 10.904 4.476 438 2HH2 ARG 24 HH22 ARG 24 4.024 10.259 5.994 439 H THR 25 HN THR 25 7.417 5.457 -0.461 440 HA THR 25 HA THR 25 9.461 6.722 0.983 441 HB THR 25 HB THR 25 10.263 4.638 -0.949 442 HG1 THR 25 HG1 THR 25 8.366 3.699 -0.590 443 1HG2 THR 25 HG21 THR 25 10.527 3.890 1.786 444 2HG2 THR 25 HG22 THR 25 11.120 5.537 1.569 445 3HG2 THR 25 HG23 THR 25 11.782 4.225 0.593 446 H ARG 26 HN ARG 26 9.280 6.033 -2.514 447 HA ARG 26 HA ARG 26 11.623 7.234 -3.316 448 1HB ARG 26 HB2 ARG 26 10.581 7.534 -5.514 449 2HB ARG 26 HB1 ARG 26 10.189 5.959 -4.836 450 1HG ARG 26 HG2 ARG 26 7.993 6.796 -4.163 451 2HG ARG 26 HG1 ARG 26 8.387 8.372 -4.853 452 1HD ARG 26 HD2 ARG 26 8.911 6.816 -6.972 453 2HD ARG 26 HD1 ARG 26 7.674 5.833 -6.190 454 HE ARG 26 HE ARG 26 6.105 7.400 -6.766 455 1HH1 ARG 26 HH11 ARG 26 9.288 8.765 -7.196 456 2HH1 ARG 26 HH12 ARG 26 8.708 10.185 -7.998 457 1HH2 ARG 26 HH21 ARG 26 5.339 9.269 -7.821 458 2HH2 ARG 26 HH22 ARG 26 6.466 10.472 -8.352 459 H LEU 27 HN LEU 27 8.465 8.732 -2.789 460 HA LEU 27 HA LEU 27 9.179 11.332 -3.599 461 1HB LEU 27 HB2 LEU 27 6.957 10.065 -2.179 462 2HB LEU 27 HB1 LEU 27 7.277 11.700 -1.634 463 HG LEU 27 HG LEU 27 7.027 12.527 -3.930 464 1HD1 LEU 27 HD11 LEU 27 7.595 10.934 -5.445 465 2HD1 LEU 27 HD12 LEU 27 5.847 10.701 -5.451 466 3HD1 LEU 27 HD13 LEU 27 6.876 9.625 -4.507 467 1HD2 LEU 27 HD21 LEU 27 5.086 12.254 -2.323 468 2HD2 LEU 27 HD22 LEU 27 4.655 10.813 -3.244 469 3HD2 LEU 27 HD23 LEU 27 4.677 12.390 -4.033 470 H VAL 28 HN VAL 28 9.450 9.623 -0.525 471 HA VAL 28 HA VAL 28 10.185 11.828 1.071 472 HB VAL 28 HB VAL 28 11.088 8.975 1.423 473 1HG1 VAL 28 HG11 VAL 28 12.292 9.986 3.039 474 2HG1 VAL 28 HG12 VAL 28 10.760 9.952 3.912 475 3HG1 VAL 28 HG13 VAL 28 11.258 11.415 3.063 476 1HG2 VAL 28 HG21 VAL 28 8.996 8.395 1.899 477 2HG2 VAL 28 HG22 VAL 28 8.456 10.015 1.457 478 3HG2 VAL 28 HG23 VAL 28 8.906 9.659 3.125 479 H GLN 29 HN GLN 29 12.123 9.458 -0.717 480 HA GLN 29 HA GLN 29 14.663 10.296 -0.029 481 1HB GLN 29 HB2 GLN 29 13.459 8.887 -2.323 482 2HB GLN 29 HB1 GLN 29 14.987 9.684 -2.674 483 1HG GLN 29 HG2 GLN 29 15.370 7.393 -2.037 484 2HG GLN 29 HG1 GLN 29 16.034 8.478 -0.816 485 1HE2 GLN 29 HE21 GLN 29 15.805 6.116 0.120 486 2HE2 GLN 29 HE22 GLN 29 14.398 5.884 1.096 487 H GLN 30 HN GLN 30 12.310 11.762 -2.120 488 HA GLN 30 HA GLN 30 14.069 13.615 -3.386 489 1HB GLN 30 HB2 GLN 30 11.277 12.938 -3.479 490 2HB GLN 30 HB1 GLN 30 11.450 14.682 -3.335 491 1HG GLN 30 HG2 GLN 30 13.044 13.165 -5.355 492 2HG GLN 30 HG1 GLN 30 11.366 13.601 -5.676 493 1HE2 GLN 30 HE21 GLN 30 10.813 15.888 -5.511 494 2HE2 GLN 30 HE22 GLN 30 11.997 17.066 -5.952 495 H HIS 31 HN HIS 31 12.131 13.605 -0.456 496 HA HIS 31 HA HIS 31 13.428 16.129 0.309 497 1HB HIS 31 HB2 HIS 31 11.382 16.963 1.328 498 2HB HIS 31 HB1 HIS 31 11.123 16.652 -0.384 499 HD1 HIS 31 HD1 HIS 31 10.140 14.009 -0.719 500 HD2 HIS 31 HD2 HIS 31 9.301 16.063 2.787 501 HE1 HIS 31 HE1 HIS 31 8.101 12.903 0.237 502 HE2 HIS 31 HE2 HIS 31 7.767 14.011 2.472 503 HA PRO 32 HA PRO 32 13.809 12.871 3.609 504 1HB PRO 32 HB2 PRO 32 16.492 12.815 3.761 505 2HB PRO 32 HB1 PRO 32 15.608 11.884 2.546 506 1HG PRO 32 HG2 PRO 32 17.028 14.504 2.262 507 2HG PRO 32 HG1 PRO 32 17.019 13.111 1.165 508 1HD PRO 32 HD2 PRO 32 15.474 15.338 0.799 509 2HD PRO 32 HD1 PRO 32 15.032 13.727 0.204 510 H ARG 33 HN ARG 33 13.908 13.364 5.732 511 HA ARG 33 HA ARG 33 13.863 14.720 7.570 512 1HB ARG 33 HB2 ARG 33 16.027 15.439 8.309 513 2HB ARG 33 HB1 ARG 33 16.220 13.912 7.461 514 1HG ARG 33 HG2 ARG 33 16.581 16.403 5.892 515 2HG ARG 33 HG1 ARG 33 17.831 15.975 7.060 516 1HD ARG 33 HD2 ARG 33 16.992 13.695 5.475 517 2HD ARG 33 HD1 ARG 33 17.587 15.017 4.471 518 HE ARG 33 HE ARG 33 19.329 14.510 6.660 519 1HH1 ARG 33 HH11 ARG 33 18.405 13.320 3.512 520 2HH1 ARG 33 HH12 ARG 33 19.939 12.578 3.205 521 1HH2 ARG 33 HH21 ARG 33 21.347 13.534 6.258 522 2HH2 ARG 33 HH22 ARG 33 21.609 12.698 4.764 Start of MODEL 44 1 H CYS 1 HT1 CYS 1 1.374 22.772 2.906 2 HA CYS 1 HA CYS 1 0.099 21.577 1.205 3 1HB CYS 1 HB2 CYS 1 -0.043 23.993 0.000 4 2HB CYS 1 HB1 CYS 1 1.326 23.306 -0.867 5 HG CYS 1 HG CYS 1 -1.165 21.527 -0.825 6 H GLY 2 HN GLY 2 2.217 20.977 2.644 7 1HA GLY 2 HA2 GLY 2 3.882 19.321 2.231 8 2HA GLY 2 HA1 GLY 2 4.150 20.027 0.643 9 H GLY 3 HN GLY 3 5.503 19.636 3.603 10 1HA GLY 3 HA2 GLY 3 6.569 22.071 4.362 11 2HA GLY 3 HA1 GLY 3 7.403 20.533 4.544 12 H ASP 4 HN ASP 4 7.329 20.143 1.582 13 HA ASP 4 HA ASP 4 9.220 22.199 0.715 14 1HB ASP 4 HB2 ASP 4 9.700 19.249 0.875 15 2HB ASP 4 HB1 ASP 4 10.513 20.207 -0.358 16 H ASN 5 HN ASN 5 6.380 21.080 0.125 17 HA ASN 5 HA ASN 5 4.995 21.085 -1.686 18 1HB ASN 5 HB2 ASN 5 7.238 22.565 -2.594 19 2HB ASN 5 HB1 ASN 5 6.836 21.426 -3.875 20 1HD2 ASN 5 HD21 ASN 5 4.064 21.287 -3.433 21 2HD2 ASN 5 HD22 ASN 5 3.373 22.805 -3.880 22 H ILE 6 HN ILE 6 6.703 18.873 -0.696 23 HA ILE 6 HA ILE 6 6.180 16.977 -2.863 24 HB ILE 6 HB ILE 6 8.680 16.782 -1.200 25 1HG1 ILE 6 HG12 ILE 6 8.631 17.888 -4.005 26 2HG1 ILE 6 HG11 ILE 6 8.555 18.934 -2.591 27 1HG2 ILE 6 HG21 ILE 6 7.893 14.757 -2.288 28 2HG2 ILE 6 HG22 ILE 6 9.415 15.303 -2.995 29 3HG2 ILE 6 HG23 ILE 6 7.896 15.578 -3.847 30 1HD1 ILE 6 HD11 ILE 6 10.714 18.466 -1.962 31 2HD1 ILE 6 HD12 ILE 6 10.830 18.452 -3.723 32 3HD1 ILE 6 HD13 ILE 6 10.748 16.931 -2.832 33 H GLU 7 HN GLU 7 7.217 17.446 0.469 34 HA GLU 7 HA GLU 7 6.611 15.013 1.594 35 1HB GLU 7 HB2 GLU 7 7.366 17.524 2.512 36 2HB GLU 7 HB1 GLU 7 5.812 17.253 3.291 37 1HG GLU 7 HG2 GLU 7 6.615 15.653 4.641 38 2HG GLU 7 HG1 GLU 7 7.650 14.970 3.388 39 H GLN 8 HN GLN 8 4.472 17.503 0.477 40 HA GLN 8 HA GLN 8 2.140 16.523 1.839 41 1HB GLN 8 HB2 GLN 8 1.996 18.798 1.368 42 2HB GLN 8 HB1 GLN 8 2.691 18.620 -0.237 43 1HG GLN 8 HG2 GLN 8 0.017 17.434 0.370 44 2HG GLN 8 HG1 GLN 8 0.166 19.161 0.053 45 1HE2 GLN 8 HE21 GLN 8 1.085 19.812 -1.985 46 2HE2 GLN 8 HE22 GLN 8 0.906 18.794 -3.369 47 H LYS 9 HN LYS 9 3.543 16.267 -1.381 48 HA LYS 9 HA LYS 9 1.442 14.919 -2.647 49 1HB LYS 9 HB2 LYS 9 4.268 15.451 -3.176 50 2HB LYS 9 HB1 LYS 9 3.726 13.916 -3.839 51 1HG LYS 9 HG2 LYS 9 1.776 15.911 -4.426 52 2HG LYS 9 HG1 LYS 9 3.370 16.504 -4.896 53 1HD LYS 9 HD2 LYS 9 3.501 13.984 -5.843 54 2HD LYS 9 HD1 LYS 9 1.768 14.281 -5.992 55 1HE LYS 9 HE2 LYS 9 2.798 16.597 -6.977 56 2HE LYS 9 HE1 LYS 9 4.022 15.432 -7.481 57 1HZ LYS 9 HZ1 LYS 9 1.806 14.137 -8.163 58 2HZ LYS 9 HZ2 LYS 9 2.628 15.180 -9.211 59 3HZ LYS 9 HZ3 LYS 9 1.272 15.730 -8.363 60 H ILE 10 HN ILE 10 4.144 13.734 -0.715 61 HA ILE 10 HA ILE 10 3.638 10.977 -1.194 62 HB ILE 10 HB ILE 10 5.007 10.608 0.877 63 1HG1 ILE 10 HG12 ILE 10 5.473 13.589 0.724 64 2HG1 ILE 10 HG11 ILE 10 4.452 12.808 1.928 65 1HG2 ILE 10 HG21 ILE 10 6.356 10.374 -0.913 66 2HG2 ILE 10 HG22 ILE 10 7.057 11.875 -0.310 67 3HG2 ILE 10 HG23 ILE 10 5.870 11.917 -1.614 68 1HD1 ILE 10 HD11 ILE 10 6.681 13.332 2.783 69 2HD1 ILE 10 HD12 ILE 10 7.387 12.287 1.550 70 3HD1 ILE 10 HD13 ILE 10 6.349 11.600 2.800 71 H ASP 11 HN ASP 11 2.701 13.212 1.406 72 HA ASP 11 HA ASP 11 1.544 11.454 3.184 73 1HB ASP 11 HB2 ASP 11 1.046 14.294 2.449 74 2HB ASP 11 HB1 ASP 11 -0.199 13.486 3.397 75 H ASP 12 HN ASP 12 0.354 12.620 0.123 76 HA ASP 12 HA ASP 12 -2.304 11.634 0.363 77 1HB ASP 12 HB2 ASP 12 -0.590 12.678 -1.827 78 2HB ASP 12 HB1 ASP 12 -1.929 11.640 -2.308 79 H ILE 13 HN ILE 13 0.650 10.387 -1.134 80 HA ILE 13 HA ILE 13 -0.392 7.956 -2.065 81 HB ILE 13 HB ILE 13 2.425 8.439 -1.085 82 1HG1 ILE 13 HG12 ILE 13 1.168 8.992 -3.779 83 2HG1 ILE 13 HG11 ILE 13 1.855 10.173 -2.669 84 1HG2 ILE 13 HG21 ILE 13 2.987 6.455 -1.961 85 2HG2 ILE 13 HG22 ILE 13 1.987 6.699 -3.393 86 3HG2 ILE 13 HG23 ILE 13 1.261 6.100 -1.902 87 1HD1 ILE 13 HD11 ILE 13 3.939 8.435 -3.102 88 2HD1 ILE 13 HD12 ILE 13 3.707 10.003 -3.877 89 3HD1 ILE 13 HD13 ILE 13 3.149 8.532 -4.675 90 H ASP 14 HN ASP 14 1.203 8.785 1.004 91 HA ASP 14 HA ASP 14 1.317 6.326 2.218 92 1HB ASP 14 HB2 ASP 14 1.850 8.843 3.031 93 2HB ASP 14 HB1 ASP 14 0.374 8.543 3.942 94 H HIS 15 HN HIS 15 -1.480 8.363 1.698 95 HA HIS 15 HA HIS 15 -3.215 6.871 3.426 96 1HB HIS 15 HB2 HIS 15 -3.433 9.329 2.526 97 2HB HIS 15 HB1 HIS 15 -4.216 8.550 1.155 98 HD1 HIS 15 HD1 HIS 15 -5.380 6.364 3.447 99 HD2 HIS 15 HD2 HIS 15 -6.056 10.441 3.022 100 HE1 HIS 15 HE1 HIS 15 -7.552 6.812 4.632 101 HE2 HIS 15 HE2 HIS 15 -7.894 9.301 4.438 102 H GLU 16 HN GLU 16 -2.204 6.704 0.107 103 HA GLU 16 HA GLU 16 -4.296 4.858 -0.643 104 1HB GLU 16 HB2 GLU 16 -1.832 5.489 -2.252 105 2HB GLU 16 HB1 GLU 16 -3.401 4.943 -2.831 106 1HG GLU 16 HG2 GLU 16 -4.387 7.042 -2.460 107 2HG GLU 16 HG1 GLU 16 -3.036 7.589 -1.466 108 H ILE 17 HN ILE 17 -0.922 4.761 0.270 109 HA ILE 17 HA ILE 17 -0.357 2.108 -0.502 110 HB ILE 17 HB ILE 17 0.894 3.586 1.814 111 1HG1 ILE 17 HG12 ILE 17 2.064 3.597 -0.934 112 2HG1 ILE 17 HG11 ILE 17 0.768 4.726 -0.569 113 1HG2 ILE 17 HG21 ILE 17 1.936 1.608 1.998 114 2HG2 ILE 17 HG22 ILE 17 2.857 2.150 0.595 115 3HG2 ILE 17 HG23 ILE 17 1.459 1.095 0.380 116 1HD1 ILE 17 HD11 ILE 17 2.175 6.079 0.463 117 2HD1 ILE 17 HD12 ILE 17 3.491 5.034 -0.072 118 3HD1 ILE 17 HD13 ILE 17 2.746 4.776 1.506 119 H ALA 18 HN ALA 18 -1.834 3.521 2.338 120 HA ALA 18 HA ALA 18 -1.784 1.082 3.870 121 1HB ALA 18 HB1 ALA 18 -2.318 3.841 4.374 122 2HB ALA 18 HB2 ALA 18 -2.038 2.536 5.527 123 3HB ALA 18 HB3 ALA 18 -3.673 2.875 4.960 124 H ASP 19 HN ASP 19 -4.116 2.830 1.887 125 HA ASP 19 HA ASP 19 -6.449 1.495 2.567 126 1HB ASP 19 HB2 ASP 19 -5.848 3.429 0.783 127 2HB ASP 19 HB1 ASP 19 -6.057 2.069 -0.316 128 H LEU 20 HN LEU 20 -3.996 0.605 0.164 129 HA LEU 20 HA LEU 20 -5.310 -1.743 -0.720 130 1HB LEU 20 HB2 LEU 20 -2.339 -1.350 -0.803 131 2HB LEU 20 HB1 LEU 20 -3.355 -2.231 -1.927 132 HG LEU 20 HG LEU 20 -2.973 0.734 -1.679 133 1HD1 LEU 20 HD11 LEU 20 -1.455 -0.115 -3.192 134 2HD1 LEU 20 HD12 LEU 20 -2.805 0.337 -4.233 135 3HD1 LEU 20 HD13 LEU 20 -2.567 -1.351 -3.779 136 1HD2 LEU 20 HD21 LEU 20 -5.143 1.053 -2.091 137 2HD2 LEU 20 HD22 LEU 20 -5.420 -0.662 -2.397 138 3HD2 LEU 20 HD23 LEU 20 -4.828 0.380 -3.691 139 H GLN 21 HN GLN 21 -2.618 -1.232 1.548 140 HA GLN 21 HA GLN 21 -2.104 -3.851 2.245 141 1HB GLN 21 HB2 GLN 21 -1.031 -1.560 3.006 142 2HB GLN 21 HB1 GLN 21 -2.095 -1.770 4.389 143 1HG GLN 21 HG2 GLN 21 -0.596 -4.175 3.741 144 2HG GLN 21 HG1 GLN 21 0.436 -2.795 4.116 145 1HE2 GLN 21 HE21 GLN 21 1.139 -3.258 6.104 146 2HE2 GLN 21 HE22 GLN 21 0.126 -3.548 7.473 147 H ALA 22 HN ALA 22 -4.713 -1.764 3.297 148 HA ALA 22 HA ALA 22 -5.607 -3.418 5.435 149 1HB ALA 22 HB1 ALA 22 -7.554 -2.014 5.491 150 2HB ALA 22 HB2 ALA 22 -7.212 -1.399 3.874 151 3HB ALA 22 HB3 ALA 22 -6.137 -1.000 5.215 152 H LYS 23 HN LYS 23 -6.324 -3.221 2.005 153 HA LYS 23 HA LYS 23 -8.598 -4.900 2.013 154 1HB LYS 23 HB2 LYS 23 -6.616 -4.220 -0.160 155 2HB LYS 23 HB1 LYS 23 -8.060 -5.184 -0.436 156 1HG LYS 23 HG2 LYS 23 -9.421 -3.399 -0.385 157 2HG LYS 23 HG1 LYS 23 -8.516 -2.612 0.909 158 1HD LYS 23 HD2 LYS 23 -7.265 -1.422 -0.530 159 2HD LYS 23 HD1 LYS 23 -7.072 -2.783 -1.636 160 1HE LYS 23 HE2 LYS 23 -9.692 -1.351 -1.421 161 2HE LYS 23 HE1 LYS 23 -8.392 -0.695 -2.414 162 1HZ LYS 23 HZ1 LYS 23 -9.788 -3.286 -2.728 163 2HZ LYS 23 HZ2 LYS 23 -8.328 -2.946 -3.510 164 3HZ LYS 23 HZ3 LYS 23 -9.698 -2.008 -3.833 165 H ARG 24 HN ARG 24 -5.152 -5.533 1.863 166 HA ARG 24 HA ARG 24 -5.379 -8.278 1.124 167 1HB ARG 24 HB2 ARG 24 -3.255 -6.407 1.797 168 2HB ARG 24 HB1 ARG 24 -2.960 -8.003 2.472 169 1HG ARG 24 HG2 ARG 24 -3.592 -8.787 0.044 170 2HG ARG 24 HG1 ARG 24 -3.111 -7.139 -0.364 171 1HD ARG 24 HD2 ARG 24 -0.974 -7.715 -0.263 172 2HD ARG 24 HD1 ARG 24 -1.175 -8.227 1.411 173 HE ARG 24 HE ARG 24 -1.975 -10.113 -0.656 174 1HH1 ARG 24 HH11 ARG 24 0.454 -9.117 1.652 175 2HH1 ARG 24 HH12 ARG 24 1.237 -10.661 1.675 176 1HH2 ARG 24 HH21 ARG 24 -0.941 -12.137 -0.623 177 2HH2 ARG 24 HH22 ARG 24 0.448 -12.373 0.384 178 H THR 25 HN THR 25 -4.935 -6.594 4.217 179 HA THR 25 HA THR 25 -4.666 -8.859 5.840 180 HB THR 25 HB THR 25 -6.097 -6.568 7.016 181 HG1 THR 25 HG1 THR 25 -4.950 -5.282 5.733 182 1HG2 THR 25 HG21 THR 25 -4.083 -6.615 8.531 183 2HG2 THR 25 HG22 THR 25 -3.590 -8.073 7.669 184 3HG2 THR 25 HG23 THR 25 -5.116 -8.044 8.553 185 H ARG 26 HN ARG 26 -7.568 -6.865 5.259 186 HA ARG 26 HA ARG 26 -9.389 -8.361 6.694 187 1HB ARG 26 HB2 ARG 26 -11.127 -7.420 5.256 188 2HB ARG 26 HB1 ARG 26 -9.936 -6.200 5.678 189 1HG ARG 26 HG2 ARG 26 -8.997 -6.216 3.523 190 2HG ARG 26 HG1 ARG 26 -9.824 -7.712 3.089 191 1HD ARG 26 HD2 ARG 26 -11.305 -6.354 2.094 192 2HD ARG 26 HD1 ARG 26 -11.924 -6.114 3.727 193 HE ARG 26 HE ARG 26 -10.446 -4.220 2.122 194 1HH1 ARG 26 HH11 ARG 26 -11.533 -5.081 5.328 195 2HH1 ARG 26 HH12 ARG 26 -11.382 -3.470 5.945 196 1HH2 ARG 26 HH21 ARG 26 -10.249 -2.104 2.936 197 2HH2 ARG 26 HH22 ARG 26 -10.655 -1.782 4.588 198 H LEU 27 HN LEU 27 -8.223 -8.865 3.404 199 HA LEU 27 HA LEU 27 -9.939 -11.015 2.767 200 1HB LEU 27 HB2 LEU 27 -7.309 -10.046 1.705 201 2HB LEU 27 HB1 LEU 27 -7.970 -11.573 1.150 202 HG LEU 27 HG LEU 27 -9.491 -8.976 0.976 203 1HD1 LEU 27 HD11 LEU 27 -8.557 -8.462 -1.011 204 2HD1 LEU 27 HD12 LEU 27 -8.306 -10.150 -1.456 205 3HD1 LEU 27 HD13 LEU 27 -7.187 -9.353 -0.350 206 1HD2 LEU 27 HD21 LEU 27 -9.832 -11.603 -0.465 207 2HD2 LEU 27 HD22 LEU 27 -10.856 -10.176 -0.619 208 3HD2 LEU 27 HD23 LEU 27 -10.802 -11.062 0.905 209 H VAL 28 HN VAL 28 -6.786 -10.801 4.331 210 HA VAL 28 HA VAL 28 -6.228 -13.570 4.402 211 HB VAL 28 HB VAL 28 -5.362 -11.521 6.436 212 1HG1 VAL 28 HG11 VAL 28 -4.644 -14.320 5.866 213 2HG1 VAL 28 HG12 VAL 28 -4.578 -13.413 7.378 214 3HG1 VAL 28 HG13 VAL 28 -3.295 -13.228 6.183 215 1HG2 VAL 28 HG21 VAL 28 -4.746 -11.686 3.640 216 2HG2 VAL 28 HG22 VAL 28 -3.293 -11.993 4.591 217 3HG2 VAL 28 HG23 VAL 28 -4.206 -10.504 4.831 218 H GLN 29 HN GLN 29 -7.810 -11.386 6.693 219 HA GLN 29 HA GLN 29 -8.255 -13.121 8.799 220 1HB GLN 29 HB2 GLN 29 -9.948 -10.868 7.719 221 2HB GLN 29 HB1 GLN 29 -10.357 -11.732 9.195 222 1HG GLN 29 HG2 GLN 29 -8.191 -11.072 10.154 223 2HG GLN 29 HG1 GLN 29 -7.845 -10.154 8.689 224 1HE2 GLN 29 HE21 GLN 29 -8.201 -8.074 8.883 225 2HE2 GLN 29 HE22 GLN 29 -9.399 -7.326 9.879 226 H GLN 30 HN GLN 30 -9.790 -12.922 5.687 227 HA GLN 30 HA GLN 30 -12.016 -14.600 6.309 228 1HB GLN 30 HB2 GLN 30 -11.263 -12.982 4.171 229 2HB GLN 30 HB1 GLN 30 -11.222 -14.610 3.510 230 1HG GLN 30 HG2 GLN 30 -13.553 -13.230 4.813 231 2HG GLN 30 HG1 GLN 30 -13.383 -13.683 3.118 232 1HE2 GLN 30 HE21 GLN 30 -13.741 -15.780 2.500 233 2HE2 GLN 30 HE22 GLN 30 -14.416 -16.973 3.551 234 H HIS 31 HN HIS 31 -8.744 -15.091 5.141 235 HA HIS 31 HA HIS 31 -9.119 -17.973 5.505 236 1HB HIS 31 HB2 HIS 31 -7.953 -18.526 3.455 237 2HB HIS 31 HB1 HIS 31 -9.342 -17.513 3.081 238 HD1 HIS 31 HD1 HIS 31 -8.494 -14.774 3.119 239 HD2 HIS 31 HD2 HIS 31 -5.830 -17.748 1.985 240 HE1 HIS 31 HE1 HIS 31 -6.734 -13.620 1.753 241 HE2 HIS 31 HE2 HIS 31 -5.021 -15.403 1.286 242 HA PRO 32 HA PRO 32 -5.193 -16.305 7.402 243 1HB PRO 32 HB2 PRO 32 -5.712 -16.937 9.965 244 2HB PRO 32 HB1 PRO 32 -6.305 -15.442 9.233 245 1HG PRO 32 HG2 PRO 32 -7.752 -18.017 9.716 246 2HG PRO 32 HG1 PRO 32 -8.313 -16.355 9.969 247 1HD PRO 32 HD2 PRO 32 -8.965 -17.850 7.777 248 2HD PRO 32 HD1 PRO 32 -8.874 -16.079 7.762 249 H ARG 33 HN ARG 33 -7.004 -19.281 7.886 250 HA ARG 33 HA ARG 33 -4.846 -20.952 7.238 251 1HB ARG 33 HB2 ARG 33 -4.332 -21.957 9.394 252 2HB ARG 33 HB1 ARG 33 -3.984 -20.234 9.432 253 1HG ARG 33 HG2 ARG 33 -6.679 -20.991 10.328 254 2HG ARG 33 HG1 ARG 33 -5.350 -21.554 11.344 255 1HD ARG 33 HD2 ARG 33 -4.498 -19.117 11.155 256 2HD ARG 33 HD1 ARG 33 -6.148 -18.752 10.651 257 HE ARG 33 HE ARG 33 -6.838 -19.044 12.814 258 1HH1 ARG 33 HH11 ARG 33 -3.640 -20.396 12.459 259 2HH1 ARG 33 HH12 ARG 33 -3.436 -20.679 14.154 260 1HH2 ARG 33 HH21 ARG 33 -6.570 -19.415 15.045 261 2HH2 ARG 33 HH22 ARG 33 -5.098 -20.121 15.623 262 H CYS 1 HN CYS 1 -15.733 -21.926 3.896 263 HA CYS 1 HA CYS 1 -13.554 -20.115 3.132 264 1HB CYS 1 HB2 CYS 1 -13.187 -23.010 3.931 265 2HB CYS 1 HB1 CYS 1 -11.930 -21.960 3.286 266 HG CYS 1 HG CYS 1 -12.275 -22.236 6.082 267 H GLY 2 HN GLY 2 -12.803 -20.346 1.039 268 1HA GLY 2 HA2 GLY 2 -14.131 -22.396 -0.613 269 2HA GLY 2 HA1 GLY 2 -14.143 -20.710 -1.108 270 H GLY 3 HN GLY 3 -11.629 -22.893 0.176 271 1HA GLY 3 HA2 GLY 3 -9.627 -23.563 -0.749 272 2HA GLY 3 HA1 GLY 3 -10.200 -22.962 -2.297 273 H ASP 4 HN ASP 4 -8.091 -22.147 -2.714 274 HA ASP 4 HA ASP 4 -7.152 -19.966 -1.016 275 1HB ASP 4 HB2 ASP 4 -5.902 -21.259 -3.439 276 2HB ASP 4 HB1 ASP 4 -5.145 -20.017 -2.446 277 H ASN 5 HN ASN 5 -9.491 -19.975 -3.060 278 HA ASN 5 HA ASN 5 -8.945 -18.313 -5.205 279 1HB ASN 5 HB2 ASN 5 -11.353 -18.983 -3.619 280 2HB ASN 5 HB1 ASN 5 -11.438 -17.478 -4.531 281 1HD2 ASN 5 HD21 ASN 5 -10.324 -17.858 -6.826 282 2HD2 ASN 5 HD22 ASN 5 -10.997 -19.191 -7.696 283 H ILE 6 HN ILE 6 -9.231 -17.609 -1.831 284 HA ILE 6 HA ILE 6 -9.399 -14.752 -2.150 285 HB ILE 6 HB ILE 6 -8.674 -16.274 0.346 286 1HG1 ILE 6 HG12 ILE 6 -11.407 -15.503 0.391 287 2HG1 ILE 6 HG11 ILE 6 -11.134 -16.343 -1.132 288 1HG2 ILE 6 HG21 ILE 6 -10.041 -13.613 0.012 289 2HG2 ILE 6 HG22 ILE 6 -8.315 -13.821 0.304 290 3HG2 ILE 6 HG23 ILE 6 -9.484 -14.348 1.516 291 1HD1 ILE 6 HD11 ILE 6 -11.705 -17.533 1.243 292 2HD1 ILE 6 HD12 ILE 6 -9.948 -17.671 1.180 293 3HD1 ILE 6 HD13 ILE 6 -10.931 -18.324 -0.130 294 H GLU 7 HN GLU 7 -6.956 -17.119 -1.200 295 HA GLU 7 HA GLU 7 -4.859 -15.400 -0.589 296 1HB GLU 7 HB2 GLU 7 -5.162 -18.085 -0.589 297 2HB GLU 7 HB1 GLU 7 -4.149 -17.895 -2.013 298 1HG GLU 7 HG2 GLU 7 -2.752 -16.371 -0.360 299 2HG GLU 7 HG1 GLU 7 -3.529 -17.402 0.842 300 H GLN 8 HN GLN 8 -6.156 -16.360 -3.665 301 HA GLN 8 HA GLN 8 -3.903 -15.445 -5.199 302 1HB GLN 8 HB2 GLN 8 -5.867 -17.168 -5.770 303 2HB GLN 8 HB1 GLN 8 -6.591 -15.714 -6.442 304 1HG GLN 8 HG2 GLN 8 -5.408 -16.014 -8.280 305 2HG GLN 8 HG1 GLN 8 -3.937 -15.752 -7.345 306 1HE2 GLN 8 HE21 GLN 8 -6.081 -18.116 -8.723 307 2HE2 GLN 8 HE22 GLN 8 -5.017 -19.468 -8.570 308 H LYS 9 HN LYS 9 -7.088 -14.215 -4.327 309 HA LYS 9 HA LYS 9 -7.028 -11.873 -5.876 310 1HB LYS 9 HB2 LYS 9 -8.570 -12.820 -3.516 311 2HB LYS 9 HB1 LYS 9 -8.598 -11.096 -3.862 312 1HG LYS 9 HG2 LYS 9 -9.265 -11.749 -6.231 313 2HG LYS 9 HG1 LYS 9 -9.562 -13.361 -5.576 314 1HD LYS 9 HD2 LYS 9 -10.783 -10.906 -4.349 315 2HD LYS 9 HD1 LYS 9 -11.543 -11.741 -5.706 316 1HE LYS 9 HE2 LYS 9 -12.556 -12.929 -4.085 317 2HE LYS 9 HE1 LYS 9 -11.038 -13.825 -4.062 318 1HZ LYS 9 HZ1 LYS 9 -12.087 -12.791 -1.890 319 2HZ LYS 9 HZ2 LYS 9 -11.211 -11.435 -2.393 320 3HZ LYS 9 HZ3 LYS 9 -10.412 -12.898 -2.108 321 H ILE 10 HN ILE 10 -5.794 -12.609 -2.664 322 HA ILE 10 HA ILE 10 -5.156 -9.911 -1.999 323 HB ILE 10 HB ILE 10 -3.661 -10.942 -0.269 324 1HG1 ILE 10 HG12 ILE 10 -4.938 -13.535 -1.143 325 2HG1 ILE 10 HG11 ILE 10 -3.283 -13.074 -1.528 326 1HG2 ILE 10 HG21 ILE 10 -5.769 -12.114 0.849 327 2HG2 ILE 10 HG22 ILE 10 -6.586 -11.308 -0.490 328 3HG2 ILE 10 HG23 ILE 10 -5.644 -10.365 0.664 329 1HD1 ILE 10 HD11 ILE 10 -3.312 -14.565 0.358 330 2HD1 ILE 10 HD12 ILE 10 -4.423 -13.499 1.219 331 3HD1 ILE 10 HD13 ILE 10 -2.779 -12.964 0.870 332 H ASP 11 HN ASP 11 -3.280 -12.623 -3.327 333 HA ASP 11 HA ASP 11 -0.749 -11.523 -3.293 334 1HB ASP 11 HB2 ASP 11 -2.141 -13.442 -5.114 335 2HB ASP 11 HB1 ASP 11 -0.570 -12.817 -5.606 336 H ASP 12 HN ASP 12 -3.445 -10.867 -5.404 337 HA ASP 12 HA ASP 12 -2.042 -9.311 -7.326 338 1HB ASP 12 HB2 ASP 12 -4.893 -9.766 -6.603 339 2HB ASP 12 HB1 ASP 12 -4.525 -8.293 -7.495 340 H ILE 13 HN ILE 13 -3.932 -8.509 -4.445 341 HA ILE 13 HA ILE 13 -3.614 -5.724 -4.552 342 HB ILE 13 HB ILE 13 -3.863 -7.407 -2.055 343 1HG1 ILE 13 HG12 ILE 13 -5.993 -6.341 -3.916 344 2HG1 ILE 13 HG11 ILE 13 -5.629 -8.030 -3.583 345 1HG2 ILE 13 HG21 ILE 13 -4.126 -5.509 -0.909 346 2HG2 ILE 13 HG22 ILE 13 -5.208 -4.829 -2.123 347 3HG2 ILE 13 HG23 ILE 13 -3.462 -4.691 -2.323 348 1HD1 ILE 13 HD11 ILE 13 -7.650 -7.245 -2.439 349 2HD1 ILE 13 HD12 ILE 13 -6.677 -6.062 -1.564 350 3HD1 ILE 13 HD13 ILE 13 -6.405 -7.786 -1.313 351 H ASP 14 HN ASP 14 -1.711 -8.233 -2.898 352 HA ASP 14 HA ASP 14 0.118 -6.704 -1.542 353 1HB ASP 14 HB2 ASP 14 -0.153 -9.352 -1.972 354 2HB ASP 14 HB1 ASP 14 1.243 -9.029 -2.996 355 H HIS 15 HN HIS 15 -0.050 -7.332 -4.981 356 HA HIS 15 HA HIS 15 2.545 -6.255 -5.561 357 1HB HIS 15 HB2 HIS 15 1.153 -7.915 -6.973 358 2HB HIS 15 HB1 HIS 15 0.294 -6.488 -7.545 359 HD1 HIS 15 HD1 HIS 15 3.478 -5.173 -7.195 360 HD2 HIS 15 HD2 HIS 15 1.855 -7.917 -9.860 361 HE1 HIS 15 HE1 HIS 15 5.001 -5.149 -9.194 362 HE2 HIS 15 HE2 HIS 15 4.049 -6.881 -10.757 363 H GLU 16 HN GLU 16 -0.693 -5.025 -5.247 364 HA GLU 16 HA GLU 16 -0.055 -2.487 -6.469 365 1HB GLU 16 HB2 GLU 16 -2.517 -3.101 -4.852 366 2HB GLU 16 HB1 GLU 16 -2.324 -1.909 -6.130 367 1HG GLU 16 HG2 GLU 16 -2.324 -3.554 -7.808 368 2HG GLU 16 HG1 GLU 16 -2.084 -4.855 -6.641 369 H ILE 17 HN ILE 17 -0.359 -3.838 -3.259 370 HA ILE 17 HA ILE 17 -0.399 -1.431 -1.794 371 HB ILE 17 HB ILE 17 0.765 -4.058 -0.867 372 1HG1 ILE 17 HG12 ILE 17 -2.069 -3.264 -0.352 373 2HG1 ILE 17 HG11 ILE 17 -1.664 -3.985 -1.903 374 1HG2 ILE 17 HG21 ILE 17 -0.519 -2.934 1.253 375 2HG2 ILE 17 HG22 ILE 17 0.093 -1.508 0.413 376 3HG2 ILE 17 HG23 ILE 17 1.207 -2.778 0.921 377 1HD1 ILE 17 HD11 ILE 17 -1.657 -6.006 -1.012 378 2HD1 ILE 17 HD12 ILE 17 -2.243 -5.293 0.489 379 3HD1 ILE 17 HD13 ILE 17 -0.512 -5.511 0.234 380 H ALA 18 HN ALA 18 2.183 -3.392 -3.124 381 HA ALA 18 HA ALA 18 4.291 -1.990 -1.768 382 1HB ALA 18 HB1 ALA 18 4.080 -4.234 -3.660 383 2HB ALA 18 HB2 ALA 18 5.108 -4.033 -2.242 384 3HB ALA 18 HB3 ALA 18 5.561 -3.280 -3.771 385 H ASP 19 HN ASP 19 2.801 -1.869 -4.968 386 HA ASP 19 HA ASP 19 4.625 -0.273 -6.306 387 1HB ASP 19 HB2 ASP 19 1.629 -0.493 -6.505 388 2HB ASP 19 HB1 ASP 19 2.542 0.588 -7.552 389 H LEU 20 HN LEU 20 1.959 0.707 -4.188 390 HA LEU 20 HA LEU 20 2.346 3.494 -4.516 391 1HB LEU 20 HB2 LEU 20 1.160 2.232 -2.069 392 2HB LEU 20 HB1 LEU 20 0.783 3.788 -2.785 393 HG LEU 20 HG LEU 20 -0.022 1.060 -3.763 394 1HD1 LEU 20 HD11 LEU 20 -1.508 3.506 -2.845 395 2HD1 LEU 20 HD12 LEU 20 -1.492 1.903 -2.111 396 3HD1 LEU 20 HD13 LEU 20 -2.281 2.151 -3.668 397 1HD2 LEU 20 HD21 LEU 20 0.776 2.479 -5.652 398 2HD2 LEU 20 HD22 LEU 20 -0.453 3.665 -5.212 399 3HD2 LEU 20 HD23 LEU 20 -0.933 2.052 -5.739 400 H GLN 21 HN GLN 21 3.307 1.253 -1.925 401 HA GLN 21 HA GLN 21 4.564 3.018 -0.230 402 1HB GLN 21 HB2 GLN 21 4.167 0.507 0.058 403 2HB GLN 21 HB1 GLN 21 5.677 0.281 -0.814 404 1HG GLN 21 HG2 GLN 21 6.929 0.865 0.944 405 2HG GLN 21 HG1 GLN 21 5.839 2.168 1.417 406 1HE2 GLN 21 HE21 GLN 21 5.927 1.623 3.584 407 2HE2 GLN 21 HE22 GLN 21 5.154 0.215 4.219 408 H ALA 22 HN ALA 22 5.790 1.592 -3.198 409 HA ALA 22 HA ALA 22 8.476 2.472 -2.883 410 1HB ALA 22 HB1 ALA 22 8.226 0.707 -4.379 411 2HB ALA 22 HB2 ALA 22 8.505 2.094 -5.432 412 3HB ALA 22 HB3 ALA 22 6.870 1.473 -5.206 413 H LYS 23 HN LYS 23 5.580 3.890 -4.250 414 HA LYS 23 HA LYS 23 6.839 6.030 -5.613 415 1HB LYS 23 HB2 LYS 23 4.069 5.367 -4.763 416 2HB LYS 23 HB1 LYS 23 4.411 7.051 -5.136 417 1HG LYS 23 HG2 LYS 23 4.461 6.669 -7.329 418 2HG LYS 23 HG1 LYS 23 5.449 5.219 -7.143 419 1HD LYS 23 HD2 LYS 23 3.605 4.126 -7.810 420 2HD LYS 23 HD1 LYS 23 3.047 4.383 -6.156 421 1HE LYS 23 HE2 LYS 23 1.558 5.982 -6.761 422 2HE LYS 23 HE1 LYS 23 2.572 6.585 -8.070 423 1HZ LYS 23 HZ1 LYS 23 0.665 5.572 -9.026 424 2HZ LYS 23 HZ2 LYS 23 0.852 4.169 -8.100 425 3HZ LYS 23 HZ3 LYS 23 1.970 4.533 -9.315 426 H ARG 24 HN ARG 24 5.738 5.592 -2.309 427 HA ARG 24 HA ARG 24 5.929 8.325 -1.544 428 1HB ARG 24 HB2 ARG 24 5.326 5.787 -0.276 429 2HB ARG 24 HB1 ARG 24 6.330 6.794 0.758 430 1HG ARG 24 HG2 ARG 24 4.588 8.644 0.118 431 2HG ARG 24 HG1 ARG 24 3.564 7.250 -0.226 432 1HD ARG 24 HD2 ARG 24 3.143 7.004 1.935 433 2HD ARG 24 HD1 ARG 24 4.864 6.811 2.262 434 HE ARG 24 HE ARG 24 3.873 9.533 1.999 435 1HH1 ARG 24 HH11 ARG 24 4.802 6.931 4.138 436 2HH1 ARG 24 HH12 ARG 24 5.041 7.973 5.499 437 1HH2 ARG 24 HH21 ARG 24 4.186 10.898 3.790 438 2HH2 ARG 24 HH22 ARG 24 4.691 10.221 5.303 439 H THR 25 HN THR 25 8.121 5.552 -1.188 440 HA THR 25 HA THR 25 10.142 6.862 0.237 441 HB THR 25 HB THR 25 10.983 4.809 -1.710 442 HG1 THR 25 HG1 THR 25 9.762 3.223 -0.907 443 1HG2 THR 25 HG21 THR 25 11.397 5.362 1.184 444 2HG2 THR 25 HG22 THR 25 12.581 5.101 -0.097 445 3HG2 THR 25 HG23 THR 25 11.671 3.737 0.554 446 H ARG 26 HN ARG 26 9.940 6.199 -3.259 447 HA ARG 26 HA ARG 26 12.252 7.434 -4.088 448 1HB ARG 26 HB2 ARG 26 11.148 7.764 -6.263 449 2HB ARG 26 HB1 ARG 26 10.832 6.164 -5.605 450 1HG ARG 26 HG2 ARG 26 8.623 6.866 -4.890 451 2HG ARG 26 HG1 ARG 26 8.937 8.500 -5.478 452 1HD ARG 26 HD2 ARG 26 9.391 7.353 -7.744 453 2HD ARG 26 HD1 ARG 26 8.547 5.973 -7.041 454 HE ARG 26 HE ARG 26 6.838 8.017 -6.601 455 1HH1 ARG 26 HH11 ARG 26 8.483 6.868 -9.457 456 2HH1 ARG 26 HH12 ARG 26 7.233 7.387 -10.537 457 1HH2 ARG 26 HH21 ARG 26 5.194 8.700 -8.020 458 2HH2 ARG 26 HH22 ARG 26 5.366 8.427 -9.722 459 H LEU 27 HN LEU 27 9.099 8.896 -3.465 460 HA LEU 27 HA LEU 27 9.794 11.516 -4.264 461 1HB LEU 27 HB2 LEU 27 7.595 10.241 -2.765 462 2HB LEU 27 HB1 LEU 27 7.878 11.928 -2.382 463 HG LEU 27 HG LEU 27 6.146 11.546 -4.136 464 1HD1 LEU 27 HD11 LEU 27 6.836 13.693 -4.306 465 2HD1 LEU 27 HD12 LEU 27 7.477 13.113 -5.843 466 3HD1 LEU 27 HD13 LEU 27 8.538 13.253 -4.442 467 1HD2 LEU 27 HD21 LEU 27 8.521 10.441 -5.606 468 2HD2 LEU 27 HD22 LEU 27 7.108 11.077 -6.447 469 3HD2 LEU 27 HD23 LEU 27 6.938 9.704 -5.354 470 H VAL 28 HN VAL 28 10.041 9.776 -1.200 471 HA VAL 28 HA VAL 28 10.747 11.970 0.418 472 HB VAL 28 HB VAL 28 11.701 9.133 0.768 473 1HG1 VAL 28 HG11 VAL 28 12.858 10.300 2.358 474 2HG1 VAL 28 HG12 VAL 28 11.370 9.971 3.245 475 3HG1 VAL 28 HG13 VAL 28 11.619 11.548 2.499 476 1HG2 VAL 28 HG21 VAL 28 9.450 9.742 2.407 477 2HG2 VAL 28 HG22 VAL 28 9.613 8.490 1.178 478 3HG2 VAL 28 HG23 VAL 28 9.039 10.095 0.729 479 H GLN 29 HN GLN 29 12.717 9.663 -1.408 480 HA GLN 29 HA GLN 29 15.246 10.507 -0.671 481 1HB GLN 29 HB2 GLN 29 14.238 9.477 -3.325 482 2HB GLN 29 HB1 GLN 29 15.942 9.741 -2.984 483 1HG GLN 29 HG2 GLN 29 14.715 8.165 -0.910 484 2HG GLN 29 HG1 GLN 29 14.451 7.441 -2.496 485 1HE2 GLN 29 HE21 GLN 29 16.191 6.772 -0.118 486 2HE2 GLN 29 HE22 GLN 29 17.760 6.525 -0.798 487 H GLN 30 HN GLN 30 12.941 11.937 -2.871 488 HA GLN 30 HA GLN 30 14.718 13.835 -4.031 489 1HB GLN 30 HB2 GLN 30 11.705 13.929 -3.776 490 2HB GLN 30 HB1 GLN 30 12.677 14.942 -4.835 491 1HG GLN 30 HG2 GLN 30 12.447 11.946 -5.007 492 2HG GLN 30 HG1 GLN 30 11.609 13.106 -6.038 493 1HE2 GLN 30 HE21 GLN 30 12.789 14.284 -7.561 494 2HE2 GLN 30 HE22 GLN 30 14.361 13.788 -8.077 495 H HIS 31 HN HIS 31 12.781 13.724 -1.121 496 HA HIS 31 HA HIS 31 13.994 16.262 -0.301 497 1HB HIS 31 HB2 HIS 31 11.905 17.100 0.624 498 2HB HIS 31 HB1 HIS 31 11.728 16.803 -1.102 499 HD1 HIS 31 HD1 HIS 31 10.501 14.439 -1.685 500 HD2 HIS 31 HD2 HIS 31 9.988 15.935 2.154 501 HE1 HIS 31 HE1 HIS 31 8.473 13.272 -0.773 502 HE2 HIS 31 HE2 HIS 31 8.303 14.056 1.613 503 HA PRO 32 HA PRO 32 14.306 12.935 2.936 504 1HB PRO 32 HB2 PRO 32 16.951 13.264 3.419 505 2HB PRO 32 HB1 PRO 32 16.339 12.222 2.129 506 1HG PRO 32 HG2 PRO 32 17.396 15.019 1.964 507 2HG PRO 32 HG1 PRO 32 17.709 13.640 0.894 508 1HD PRO 32 HD2 PRO 32 15.937 15.598 0.280 509 2HD PRO 32 HD1 PRO 32 15.730 13.917 -0.251 510 H ARG 33 HN ARG 33 15.163 13.175 5.196 511 HA ARG 33 HA ARG 33 14.876 14.255 7.186 512 1HB ARG 33 HB2 ARG 33 16.486 15.960 7.607 513 2HB ARG 33 HB1 ARG 33 17.209 14.835 6.468 514 1HG ARG 33 HG2 ARG 33 15.823 17.150 5.280 515 2HG ARG 33 HG1 ARG 33 17.287 17.504 6.197 516 1HD ARG 33 HD2 ARG 33 17.369 15.256 4.259 517 2HD ARG 33 HD1 ARG 33 17.352 16.897 3.615 518 HE ARG 33 HE ARG 33 19.554 15.586 4.781 519 1HH1 ARG 33 HH11 ARG 33 17.982 18.703 4.736 520 2HH1 ARG 33 HH12 ARG 33 19.434 19.580 5.086 521 1HH2 ARG 33 HH21 ARG 33 21.464 16.739 5.241 522 2HH2 ARG 33 HH22 ARG 33 21.411 18.464 5.371 Start of MODEL 45 1 H CYS 1 HT1 CYS 1 12.678 21.352 2.812 2 HA CYS 1 HA CYS 1 13.609 19.186 4.543 3 1HB CYS 1 HB2 CYS 1 11.744 21.536 4.696 4 2HB CYS 1 HB1 CYS 1 11.539 20.176 5.796 5 HG CYS 1 HG CYS 1 13.297 21.145 7.176 6 H GLY 2 HN GLY 2 10.614 20.369 2.989 7 1HA GLY 2 HA2 GLY 2 9.833 18.164 1.614 8 2HA GLY 2 HA1 GLY 2 9.362 17.784 3.265 9 H GLY 3 HN GLY 3 8.303 19.947 4.313 10 1HA GLY 3 HA2 GLY 3 5.754 20.158 3.306 11 2HA GLY 3 HA1 GLY 3 6.506 21.390 4.309 12 H ASP 4 HN ASP 4 5.654 20.435 1.082 13 HA ASP 4 HA ASP 4 5.811 23.170 0.193 14 1HB ASP 4 HB2 ASP 4 7.655 21.038 -0.880 15 2HB ASP 4 HB1 ASP 4 7.241 22.474 -1.818 16 H ASN 5 HN ASN 5 6.061 20.227 -1.706 17 HA ASN 5 HA ASN 5 3.228 20.279 -2.377 18 1HB ASN 5 HB2 ASN 5 4.897 21.634 -4.027 19 2HB ASN 5 HB1 ASN 5 5.030 20.020 -4.719 20 1HD2 ASN 5 HD21 ASN 5 2.455 19.097 -4.239 21 2HD2 ASN 5 HD22 ASN 5 1.351 19.996 -5.216 22 H ILE 6 HN ILE 6 6.398 18.801 -2.845 23 HA ILE 6 HA ILE 6 5.466 16.262 -3.684 24 HB ILE 6 HB ILE 6 8.021 16.562 -2.150 25 1HG1 ILE 6 HG12 ILE 6 7.446 17.673 -4.897 26 2HG1 ILE 6 HG11 ILE 6 8.183 18.490 -3.523 27 1HG2 ILE 6 HG21 ILE 6 8.813 14.930 -3.779 28 2HG2 ILE 6 HG22 ILE 6 7.251 14.986 -4.595 29 3HG2 ILE 6 HG23 ILE 6 7.361 14.374 -2.946 30 1HD1 ILE 6 HD11 ILE 6 10.124 18.074 -4.510 31 2HD1 ILE 6 HD12 ILE 6 9.403 16.909 -5.621 32 3HD1 ILE 6 HD13 ILE 6 9.901 16.397 -4.007 33 H GLU 7 HN GLU 7 6.629 17.490 -0.582 34 HA GLU 7 HA GLU 7 6.260 15.218 0.969 35 1HB GLU 7 HB2 GLU 7 7.438 17.189 1.782 36 2HB GLU 7 HB1 GLU 7 5.945 18.119 1.768 37 1HG GLU 7 HG2 GLU 7 5.319 15.947 3.339 38 2HG GLU 7 HG1 GLU 7 6.994 16.290 3.768 39 H GLN 8 HN GLN 8 3.922 17.584 -0.123 40 HA GLN 8 HA GLN 8 1.812 16.590 1.571 41 1HB GLN 8 HB2 GLN 8 2.076 18.975 0.603 42 2HB GLN 8 HB1 GLN 8 1.407 18.295 -0.874 43 1HG GLN 8 HG2 GLN 8 -0.572 18.837 -0.018 44 2HG GLN 8 HG1 GLN 8 -0.363 17.422 1.012 45 1HE2 GLN 8 HE21 GLN 8 -1.976 19.197 2.015 46 2HE2 GLN 8 HE22 GLN 8 -1.239 20.143 3.258 47 H LYS 9 HN LYS 9 2.882 16.193 -1.748 48 HA LYS 9 HA LYS 9 0.652 14.811 -2.745 49 1HB LYS 9 HB2 LYS 9 3.502 15.102 -3.539 50 2HB LYS 9 HB1 LYS 9 2.604 13.766 -4.245 51 1HG LYS 9 HG2 LYS 9 1.386 15.112 -5.563 52 2HG LYS 9 HG1 LYS 9 1.223 16.355 -4.319 53 1HD LYS 9 HD2 LYS 9 2.635 17.539 -5.600 54 2HD LYS 9 HD1 LYS 9 3.885 16.499 -4.913 55 1HE LYS 9 HE2 LYS 9 2.371 15.830 -7.428 56 2HE LYS 9 HE1 LYS 9 3.896 16.714 -7.425 57 1HZ LYS 9 HZ1 LYS 9 4.543 14.612 -5.932 58 2HZ LYS 9 HZ2 LYS 9 4.741 14.652 -7.612 59 3HZ LYS 9 HZ3 LYS 9 3.384 13.898 -6.939 60 H ILE 10 HN ILE 10 3.495 13.718 -0.977 61 HA ILE 10 HA ILE 10 2.979 10.940 -1.325 62 HB ILE 10 HB ILE 10 4.502 10.656 0.656 63 1HG1 ILE 10 HG12 ILE 10 4.965 13.622 0.321 64 2HG1 ILE 10 HG11 ILE 10 4.028 12.913 1.634 65 1HG2 ILE 10 HG21 ILE 10 5.382 10.431 -1.540 66 2HG2 ILE 10 HG22 ILE 10 6.520 11.416 -0.619 67 3HG2 ILE 10 HG23 ILE 10 5.421 12.180 -1.767 68 1HD1 ILE 10 HD11 ILE 10 5.989 11.710 2.404 69 2HD1 ILE 10 HD12 ILE 10 6.298 13.445 2.325 70 3HD1 ILE 10 HD13 ILE 10 6.932 12.378 1.072 71 H ASP 11 HN ASP 11 2.237 13.266 1.259 72 HA ASP 11 HA ASP 11 1.221 11.560 3.174 73 1HB ASP 11 HB2 ASP 11 1.416 14.212 3.047 74 2HB ASP 11 HB1 ASP 11 -0.289 14.076 2.626 75 H ASP 12 HN ASP 12 -0.194 12.671 0.189 76 HA ASP 12 HA ASP 12 -2.830 11.714 0.648 77 1HB ASP 12 HB2 ASP 12 -1.722 13.272 -1.269 78 2HB ASP 12 HB1 ASP 12 -1.802 11.741 -2.135 79 H ILE 13 HN ILE 13 0.017 10.391 -0.968 80 HA ILE 13 HA ILE 13 -1.106 7.945 -1.769 81 HB ILE 13 HB ILE 13 1.772 8.428 -0.991 82 1HG1 ILE 13 HG12 ILE 13 0.360 8.894 -3.625 83 2HG1 ILE 13 HG11 ILE 13 1.086 10.120 -2.591 84 1HG2 ILE 13 HG21 ILE 13 1.178 6.628 -3.212 85 2HG2 ILE 13 HG22 ILE 13 0.531 6.080 -1.666 86 3HG2 ILE 13 HG23 ILE 13 2.256 6.412 -1.833 87 1HD1 ILE 13 HD11 ILE 13 2.755 9.900 -4.096 88 2HD1 ILE 13 HD12 ILE 13 2.355 8.223 -4.464 89 3HD1 ILE 13 HD13 ILE 13 3.238 8.617 -2.988 90 H ASP 14 HN ASP 14 0.668 8.869 1.173 91 HA ASP 14 HA ASP 14 0.857 6.451 2.460 92 1HB ASP 14 HB2 ASP 14 1.406 9.002 3.163 93 2HB ASP 14 HB1 ASP 14 -0.011 8.709 4.166 94 H HIS 15 HN HIS 15 -1.975 8.460 2.030 95 HA HIS 15 HA HIS 15 -3.609 7.008 3.885 96 1HB HIS 15 HB2 HIS 15 -3.840 9.449 2.790 97 2HB HIS 15 HB1 HIS 15 -4.858 8.547 1.672 98 HD1 HIS 15 HD1 HIS 15 -5.521 6.704 4.477 99 HD2 HIS 15 HD2 HIS 15 -6.428 10.637 3.487 100 HE1 HIS 15 HE1 HIS 15 -7.475 7.329 5.931 101 HE2 HIS 15 HE2 HIS 15 -7.947 9.742 5.382 102 H GLU 16 HN GLU 16 -2.796 6.777 0.511 103 HA GLU 16 HA GLU 16 -4.920 4.912 -0.078 104 1HB GLU 16 HB2 GLU 16 -2.541 5.484 -1.829 105 2HB GLU 16 HB1 GLU 16 -4.142 4.940 -2.310 106 1HG GLU 16 HG2 GLU 16 -5.087 7.058 -1.947 107 2HG GLU 16 HG1 GLU 16 -3.686 7.615 -1.032 108 H ILE 17 HN ILE 17 -1.510 4.826 0.674 109 HA ILE 17 HA ILE 17 -0.980 2.157 -0.059 110 HB ILE 17 HB ILE 17 0.363 3.701 2.164 111 1HG1 ILE 17 HG12 ILE 17 1.417 3.609 -0.631 112 2HG1 ILE 17 HG11 ILE 17 0.147 4.763 -0.244 113 1HG2 ILE 17 HG21 ILE 17 0.873 1.159 0.797 114 2HG2 ILE 17 HG22 ILE 17 1.403 1.725 2.381 115 3HG2 ILE 17 HG23 ILE 17 2.278 2.217 0.930 116 1HD1 ILE 17 HD11 ILE 17 2.217 4.860 1.738 117 2HD1 ILE 17 HD12 ILE 17 1.613 6.133 0.678 118 3HD1 ILE 17 HD13 ILE 17 2.895 5.058 0.123 119 H ALA 18 HN ALA 18 -2.300 3.639 2.829 120 HA ALA 18 HA ALA 18 -2.192 1.242 4.411 121 1HB ALA 18 HB1 ALA 18 -2.190 2.937 5.888 122 2HB ALA 18 HB2 ALA 18 -3.943 2.834 5.730 123 3HB ALA 18 HB3 ALA 18 -3.042 4.029 4.795 124 H ASP 19 HN ASP 19 -4.610 2.912 2.467 125 HA ASP 19 HA ASP 19 -6.906 1.584 3.280 126 1HB ASP 19 HB2 ASP 19 -6.385 3.472 1.421 127 2HB ASP 19 HB1 ASP 19 -6.648 2.082 0.370 128 H LEU 20 HN LEU 20 -4.528 0.629 0.829 129 HA LEU 20 HA LEU 20 -5.879 -1.731 0.033 130 1HB LEU 20 HB2 LEU 20 -2.909 -1.348 -0.147 131 2HB LEU 20 HB1 LEU 20 -3.959 -2.257 -1.217 132 HG LEU 20 HG LEU 20 -3.653 0.729 -1.028 133 1HD1 LEU 20 HD11 LEU 20 -2.016 -0.215 -2.428 134 2HD1 LEU 20 HD12 LEU 20 -3.273 0.387 -3.508 135 3HD1 LEU 20 HD13 LEU 20 -3.167 -1.337 -3.153 136 1HD2 LEU 20 HD21 LEU 20 -5.472 1.014 -2.536 137 2HD2 LEU 20 HD22 LEU 20 -6.065 0.050 -1.183 138 3HD2 LEU 20 HD23 LEU 20 -5.676 -0.729 -2.716 139 H GLN 21 HN GLN 21 -3.069 -1.224 2.165 140 HA GLN 21 HA GLN 21 -2.584 -3.833 2.899 141 1HB GLN 21 HB2 GLN 21 -1.359 -1.637 3.548 142 2HB GLN 21 HB1 GLN 21 -2.445 -1.626 4.931 143 1HG GLN 21 HG2 GLN 21 -1.622 -3.877 5.540 144 2HG GLN 21 HG1 GLN 21 -0.467 -3.776 4.212 145 1HE2 GLN 21 HE21 GLN 21 1.476 -3.093 4.729 146 2HE2 GLN 21 HE22 GLN 21 1.887 -2.113 6.092 147 H ALA 22 HN ALA 22 -5.147 -1.713 3.954 148 HA ALA 22 HA ALA 22 -5.967 -3.339 6.167 149 1HB ALA 22 HB1 ALA 22 -6.736 -1.244 6.544 150 2HB ALA 22 HB2 ALA 22 -8.148 -1.859 5.684 151 3HB ALA 22 HB3 ALA 22 -6.945 -0.893 4.829 152 H LYS 23 HN LYS 23 -6.743 -3.145 2.765 153 HA LYS 23 HA LYS 23 -9.096 -4.752 2.895 154 1HB LYS 23 HB2 LYS 23 -7.559 -3.381 0.858 155 2HB LYS 23 HB1 LYS 23 -8.057 -4.975 0.308 156 1HG LYS 23 HG2 LYS 23 -9.876 -3.800 -0.345 157 2HG LYS 23 HG1 LYS 23 -10.381 -4.169 1.306 158 1HD LYS 23 HD2 LYS 23 -10.712 -1.951 1.467 159 2HD LYS 23 HD1 LYS 23 -8.961 -1.877 1.678 160 1HE LYS 23 HE2 LYS 23 -8.597 -1.174 -0.490 161 2HE LYS 23 HE1 LYS 23 -10.116 -1.852 -1.075 162 1HZ LYS 23 HZ1 LYS 23 -10.572 0.381 -1.045 163 2HZ LYS 23 HZ2 LYS 23 -9.634 0.685 0.329 164 3HZ LYS 23 HZ3 LYS 23 -11.140 -0.068 0.485 165 H ARG 24 HN ARG 24 -5.681 -5.390 2.359 166 HA ARG 24 HA ARG 24 -5.963 -8.084 1.528 167 1HB ARG 24 HB2 ARG 24 -3.923 -6.806 1.112 168 2HB ARG 24 HB1 ARG 24 -3.624 -6.685 2.841 169 1HG ARG 24 HG2 ARG 24 -2.679 -8.700 2.927 170 2HG ARG 24 HG1 ARG 24 -3.946 -9.433 1.942 171 1HD ARG 24 HD2 ARG 24 -2.721 -8.047 0.034 172 2HD ARG 24 HD1 ARG 24 -1.354 -8.237 1.132 173 HE ARG 24 HE ARG 24 -2.485 -10.236 -0.534 174 1HH1 ARG 24 HH11 ARG 24 -1.001 -9.761 2.588 175 2HH1 ARG 24 HH12 ARG 24 -0.396 -11.381 2.687 176 1HH2 ARG 24 HH21 ARG 24 -1.690 -12.367 -0.407 177 2HH2 ARG 24 HH22 ARG 24 -0.786 -12.860 0.985 178 H THR 25 HN THR 25 -5.389 -6.596 4.695 179 HA THR 25 HA THR 25 -5.078 -8.994 6.141 180 HB THR 25 HB THR 25 -6.331 -6.698 7.519 181 HG1 THR 25 HG1 THR 25 -5.106 -5.374 6.407 182 1HG2 THR 25 HG21 THR 25 -5.363 -7.703 9.228 183 2HG2 THR 25 HG22 THR 25 -3.797 -7.252 8.554 184 3HG2 THR 25 HG23 THR 25 -4.514 -8.814 8.154 185 H ARG 26 HN ARG 26 -7.927 -6.860 5.859 186 HA ARG 26 HA ARG 26 -9.735 -8.304 7.330 187 1HB ARG 26 HB2 ARG 26 -11.495 -7.309 5.908 188 2HB ARG 26 HB1 ARG 26 -10.285 -6.133 6.402 189 1HG ARG 26 HG2 ARG 26 -9.243 -6.231 4.229 190 2HG ARG 26 HG1 ARG 26 -10.352 -7.507 3.724 191 1HD ARG 26 HD2 ARG 26 -11.269 -5.573 2.798 192 2HD ARG 26 HD1 ARG 26 -12.215 -5.828 4.265 193 HE ARG 26 HE ARG 26 -9.982 -4.117 4.723 194 1HH1 ARG 26 HH11 ARG 26 -13.223 -4.195 3.431 195 2HH1 ARG 26 HH12 ARG 26 -13.515 -2.513 3.723 196 1HH2 ARG 26 HH21 ARG 26 -10.364 -1.905 5.109 197 2HH2 ARG 26 HH22 ARG 26 -11.891 -1.213 4.675 198 H LEU 27 HN LEU 27 -8.788 -8.796 3.968 199 HA LEU 27 HA LEU 27 -10.620 -10.874 3.412 200 1HB LEU 27 HB2 LEU 27 -8.190 -9.762 2.153 201 2HB LEU 27 HB1 LEU 27 -8.540 -11.436 1.764 202 HG LEU 27 HG LEU 27 -9.450 -9.786 0.128 203 1HD1 LEU 27 HD11 LEU 27 -11.070 -11.816 1.556 204 2HD1 LEU 27 HD12 LEU 27 -10.540 -11.764 -0.124 205 3HD1 LEU 27 HD13 LEU 27 -11.898 -10.769 0.403 206 1HD2 LEU 27 HD21 LEU 27 -11.614 -8.678 0.881 207 2HD2 LEU 27 HD22 LEU 27 -10.108 -7.957 1.446 208 3HD2 LEU 27 HD23 LEU 27 -11.060 -8.971 2.529 209 H VAL 28 HN VAL 28 -7.353 -10.817 4.745 210 HA VAL 28 HA VAL 28 -6.888 -13.596 4.720 211 HB VAL 28 HB VAL 28 -5.841 -11.632 6.752 212 1HG1 VAL 28 HG11 VAL 28 -5.585 -14.313 6.783 213 2HG1 VAL 28 HG12 VAL 28 -4.367 -13.204 7.416 214 3HG1 VAL 28 HG13 VAL 28 -4.191 -13.876 5.795 215 1HG2 VAL 28 HG21 VAL 28 -3.966 -12.201 4.671 216 2HG2 VAL 28 HG22 VAL 28 -4.630 -10.646 5.170 217 3HG2 VAL 28 HG23 VAL 28 -5.467 -11.611 3.954 218 H GLN 29 HN GLN 29 -8.228 -11.452 7.203 219 HA GLN 29 HA GLN 29 -8.604 -13.280 9.248 220 1HB GLN 29 HB2 GLN 29 -10.054 -10.794 8.417 221 2HB GLN 29 HB1 GLN 29 -10.720 -11.784 9.709 222 1HG GLN 29 HG2 GLN 29 -7.874 -10.855 9.772 223 2HG GLN 29 HG1 GLN 29 -9.193 -9.827 10.332 224 1HE2 GLN 29 HE21 GLN 29 -6.938 -12.026 11.272 225 2HE2 GLN 29 HE22 GLN 29 -7.657 -12.566 12.746 226 H GLN 30 HN GLN 30 -10.370 -12.819 6.285 227 HA GLN 30 HA GLN 30 -12.629 -14.412 6.992 228 1HB GLN 30 HB2 GLN 30 -11.593 -13.773 4.225 229 2HB GLN 30 HB1 GLN 30 -13.220 -14.291 4.648 230 1HG GLN 30 HG2 GLN 30 -13.015 -12.088 6.178 231 2HG GLN 30 HG1 GLN 30 -11.965 -11.637 4.835 232 1HE2 GLN 30 HE21 GLN 30 -14.995 -13.470 5.065 233 2HE2 GLN 30 HE22 GLN 30 -15.860 -12.515 3.915 234 H HIS 31 HN HIS 31 -9.457 -15.035 5.656 235 HA HIS 31 HA HIS 31 -10.024 -17.905 5.833 236 1HB HIS 31 HB2 HIS 31 -8.911 -18.377 3.725 237 2HB HIS 31 HB1 HIS 31 -10.261 -17.281 3.458 238 HD1 HIS 31 HD1 HIS 31 -9.551 -14.686 3.178 239 HD2 HIS 31 HD2 HIS 31 -6.529 -17.497 2.739 240 HE1 HIS 31 HE1 HIS 31 -7.702 -13.500 1.963 241 HE2 HIS 31 HE2 HIS 31 -5.814 -15.164 1.896 242 HA PRO 32 HA PRO 32 -6.006 -16.667 7.840 243 1HB PRO 32 HB2 PRO 32 -6.502 -17.783 10.250 244 2HB PRO 32 HB1 PRO 32 -7.046 -16.154 9.832 245 1HG PRO 32 HG2 PRO 32 -8.582 -18.725 9.829 246 2HG PRO 32 HG1 PRO 32 -9.077 -17.127 10.418 247 1HD PRO 32 HD2 PRO 32 -9.837 -18.114 8.002 248 2HD PRO 32 HD1 PRO 32 -9.619 -16.380 8.311 249 H ARG 33 HN ARG 33 -4.770 -18.392 9.467 250 HA ARG 33 HA ARG 33 -3.565 -20.320 9.526 251 1HB ARG 33 HB2 ARG 33 -6.067 -21.511 8.315 252 2HB ARG 33 HB1 ARG 33 -4.747 -22.425 9.031 253 1HG ARG 33 HG2 ARG 33 -5.560 -22.161 11.077 254 2HG ARG 33 HG1 ARG 33 -5.745 -20.421 10.855 255 1HD ARG 33 HD2 ARG 33 -7.926 -21.112 11.202 256 2HD ARG 33 HD1 ARG 33 -7.817 -21.070 9.443 257 HE ARG 33 HE ARG 33 -8.168 -23.323 9.419 258 1HH1 ARG 33 HH11 ARG 33 -7.102 -22.410 12.614 259 2HH1 ARG 33 HH12 ARG 33 -7.347 -23.988 13.283 260 1HH2 ARG 33 HH21 ARG 33 -8.491 -25.399 10.297 261 2HH2 ARG 33 HH22 ARG 33 -8.134 -25.686 11.967 262 H CYS 1 HN CYS 1 -1.667 -20.310 -3.736 263 HA CYS 1 HA CYS 1 -2.628 -18.120 -3.489 264 1HB CYS 1 HB2 CYS 1 -3.174 -16.867 -5.622 265 2HB CYS 1 HB1 CYS 1 -1.462 -17.012 -5.241 266 HG CYS 1 HG CYS 1 -1.501 -17.641 -7.664 267 H GLY 2 HN GLY 2 -4.841 -17.746 -3.447 268 1HA GLY 2 HA2 GLY 2 -7.084 -18.203 -3.704 269 2HA GLY 2 HA1 GLY 2 -6.679 -19.031 -5.201 270 H GLY 3 HN GLY 3 -5.159 -19.988 -2.224 271 1HA GLY 3 HA2 GLY 3 -5.850 -22.676 -2.448 272 2HA GLY 3 HA1 GLY 3 -5.335 -21.897 -0.958 273 H ASP 4 HN ASP 4 -7.699 -20.022 -1.241 274 HA ASP 4 HA ASP 4 -9.843 -21.885 -0.511 275 1HB ASP 4 HB2 ASP 4 -8.749 -19.589 1.056 276 2HB ASP 4 HB1 ASP 4 -10.454 -20.002 1.205 277 H ASN 5 HN ASN 5 -9.042 -19.915 -2.784 278 HA ASN 5 HA ASN 5 -10.174 -18.719 -4.358 279 1HB ASN 5 HB2 ASN 5 -12.059 -20.336 -3.855 280 2HB ASN 5 HB1 ASN 5 -12.680 -19.147 -2.714 281 1HD2 ASN 5 HD21 ASN 5 -11.265 -18.837 -5.953 282 2HD2 ASN 5 HD22 ASN 5 -12.613 -18.008 -6.646 283 H ILE 6 HN ILE 6 -9.150 -17.759 -1.718 284 HA ILE 6 HA ILE 6 -10.243 -15.041 -1.860 285 HB ILE 6 HB ILE 6 -9.476 -16.329 0.753 286 1HG1 ILE 6 HG12 ILE 6 -12.328 -15.945 -0.131 287 2HG1 ILE 6 HG11 ILE 6 -11.464 -17.444 -0.462 288 1HG2 ILE 6 HG21 ILE 6 -10.743 -14.471 1.710 289 2HG2 ILE 6 HG22 ILE 6 -11.092 -13.877 0.087 290 3HG2 ILE 6 HG23 ILE 6 -9.430 -13.906 0.676 291 1HD1 ILE 6 HD11 ILE 6 -12.938 -17.290 1.635 292 2HD1 ILE 6 HD12 ILE 6 -11.609 -16.352 2.315 293 3HD1 ILE 6 HD13 ILE 6 -11.334 -18.008 1.777 294 H GLU 7 HN GLU 7 -7.749 -17.184 -0.611 295 HA GLU 7 HA GLU 7 -5.727 -15.420 -0.016 296 1HB GLU 7 HB2 GLU 7 -6.009 -18.183 -0.227 297 2HB GLU 7 HB1 GLU 7 -4.737 -17.799 -1.382 298 1HG GLU 7 HG2 GLU 7 -3.456 -16.690 0.353 299 2HG GLU 7 HG1 GLU 7 -4.745 -16.990 1.518 300 H GLN 8 HN GLN 8 -6.971 -16.355 -3.107 301 HA GLN 8 HA GLN 8 -4.721 -15.426 -4.634 302 1HB GLN 8 HB2 GLN 8 -5.954 -17.111 -5.705 303 2HB GLN 8 HB1 GLN 8 -7.498 -16.380 -5.290 304 1HG GLN 8 HG2 GLN 8 -5.620 -14.966 -7.134 305 2HG GLN 8 HG1 GLN 8 -6.622 -16.289 -7.729 306 1HE2 GLN 8 HE21 GLN 8 -6.675 -13.460 -8.417 307 2HE2 GLN 8 HE22 GLN 8 -8.274 -12.909 -8.067 308 H LYS 9 HN LYS 9 -7.924 -14.229 -3.772 309 HA LYS 9 HA LYS 9 -7.923 -11.878 -5.273 310 1HB LYS 9 HB2 LYS 9 -9.787 -13.009 -3.816 311 2HB LYS 9 HB1 LYS 9 -9.165 -11.958 -2.550 312 1HG LYS 9 HG2 LYS 9 -9.462 -10.084 -4.325 313 2HG LYS 9 HG1 LYS 9 -10.550 -11.242 -5.093 314 1HD LYS 9 HD2 LYS 9 -12.042 -10.160 -3.744 315 2HD LYS 9 HD1 LYS 9 -11.506 -11.421 -2.631 316 1HE LYS 9 HE2 LYS 9 -11.214 -9.641 -1.259 317 2HE LYS 9 HE1 LYS 9 -9.659 -9.572 -2.088 318 1HZ LYS 9 HZ1 LYS 9 -11.096 -8.094 -3.729 319 2HZ LYS 9 HZ2 LYS 9 -10.311 -7.440 -2.380 320 3HZ LYS 9 HZ3 LYS 9 -11.963 -7.798 -2.306 321 H ILE 10 HN ILE 10 -6.603 -12.569 -2.073 322 HA ILE 10 HA ILE 10 -5.918 -9.877 -1.478 323 HB ILE 10 HB ILE 10 -4.330 -10.893 0.188 324 1HG1 ILE 10 HG12 ILE 10 -5.670 -13.486 -0.594 325 2HG1 ILE 10 HG11 ILE 10 -4.034 -13.043 -1.068 326 1HG2 ILE 10 HG21 ILE 10 -7.212 -11.761 0.301 327 2HG2 ILE 10 HG22 ILE 10 -6.582 -10.184 0.775 328 3HG2 ILE 10 HG23 ILE 10 -6.121 -11.625 1.680 329 1HD1 ILE 10 HD11 ILE 10 -3.353 -12.975 1.251 330 2HD1 ILE 10 HD12 ILE 10 -4.065 -14.540 0.856 331 3HD1 ILE 10 HD13 ILE 10 -5.000 -13.348 1.761 332 H ASP 11 HN ASP 11 -4.114 -12.591 -2.886 333 HA ASP 11 HA ASP 11 -1.576 -11.540 -2.983 334 1HB ASP 11 HB2 ASP 11 -3.111 -13.425 -4.686 335 2HB ASP 11 HB1 ASP 11 -1.657 -12.738 -5.404 336 H ASP 12 HN ASP 12 -4.367 -10.750 -4.917 337 HA ASP 12 HA ASP 12 -3.023 -9.143 -6.843 338 1HB ASP 12 HB2 ASP 12 -5.846 -9.613 -6.033 339 2HB ASP 12 HB1 ASP 12 -5.505 -8.103 -6.874 340 H ILE 13 HN ILE 13 -4.804 -8.423 -3.864 341 HA ILE 13 HA ILE 13 -4.465 -5.639 -3.892 342 HB ILE 13 HB ILE 13 -4.617 -7.396 -1.437 343 1HG1 ILE 13 HG12 ILE 13 -6.842 -6.201 -3.108 344 2HG1 ILE 13 HG11 ILE 13 -6.459 -7.913 -2.963 345 1HG2 ILE 13 HG21 ILE 13 -5.900 -4.766 -1.422 346 2HG2 ILE 13 HG22 ILE 13 -4.145 -4.713 -1.586 347 3HG2 ILE 13 HG23 ILE 13 -4.878 -5.539 -0.211 348 1HD1 ILE 13 HD11 ILE 13 -8.090 -6.247 -1.283 349 2HD1 ILE 13 HD12 ILE 13 -6.822 -7.042 -0.350 350 3HD1 ILE 13 HD13 ILE 13 -7.938 -8.002 -1.321 351 H ASP 14 HN ASP 14 -2.511 -8.199 -2.380 352 HA ASP 14 HA ASP 14 -0.609 -6.701 -1.085 353 1HB ASP 14 HB2 ASP 14 -0.936 -9.354 -1.581 354 2HB ASP 14 HB1 ASP 14 0.473 -9.007 -2.578 355 H HIS 15 HN HIS 15 -0.927 -7.315 -4.518 356 HA HIS 15 HA HIS 15 1.648 -6.273 -5.219 357 1HB HIS 15 HB2 HIS 15 0.217 -7.893 -6.589 358 2HB HIS 15 HB1 HIS 15 -0.744 -6.491 -7.045 359 HD1 HIS 15 HD1 HIS 15 2.785 -5.649 -6.758 360 HD2 HIS 15 HD2 HIS 15 0.286 -7.194 -9.696 361 HE1 HIS 15 HE1 HIS 15 4.033 -5.359 -8.922 362 HE2 HIS 15 HE2 HIS 15 2.539 -6.380 -10.674 363 H GLU 16 HN GLU 16 -1.525 -4.981 -4.680 364 HA GLU 16 HA GLU 16 -0.922 -2.443 -5.925 365 1HB GLU 16 HB2 GLU 16 -3.295 -3.048 -4.173 366 2HB GLU 16 HB1 GLU 16 -3.158 -1.830 -5.436 367 1HG GLU 16 HG2 GLU 16 -2.921 -4.734 -6.101 368 2HG GLU 16 HG1 GLU 16 -4.504 -3.987 -5.884 369 H ILE 17 HN ILE 17 -1.135 -3.811 -2.706 370 HA ILE 17 HA ILE 17 -1.019 -1.436 -1.212 371 HB ILE 17 HB ILE 17 0.158 -4.095 -0.397 372 1HG1 ILE 17 HG12 ILE 17 -2.629 -3.268 0.301 373 2HG1 ILE 17 HG11 ILE 17 -2.328 -3.973 -1.283 374 1HG2 ILE 17 HG21 ILE 17 0.383 -3.248 1.656 375 2HG2 ILE 17 HG22 ILE 17 -1.205 -2.484 1.609 376 3HG2 ILE 17 HG23 ILE 17 0.188 -1.668 0.897 377 1HD1 ILE 17 HD11 ILE 17 -2.653 -5.265 1.230 378 2HD1 ILE 17 HD12 ILE 17 -1.042 -5.617 0.605 379 3HD1 ILE 17 HD13 ILE 17 -2.465 -5.978 -0.371 380 H ALA 18 HN ALA 18 1.438 -3.388 -2.755 381 HA ALA 18 HA ALA 18 3.644 -2.009 -1.512 382 1HB ALA 18 HB1 ALA 18 3.298 -4.287 -3.337 383 2HB ALA 18 HB2 ALA 18 4.433 -4.057 -2.007 384 3HB ALA 18 HB3 ALA 18 4.767 -3.343 -3.584 385 H ASP 19 HN ASP 19 1.949 -1.927 -4.601 386 HA ASP 19 HA ASP 19 3.690 -0.361 -6.086 387 1HB ASP 19 HB2 ASP 19 1.223 -1.425 -6.522 388 2HB ASP 19 HB1 ASP 19 0.830 0.288 -6.417 389 H LEU 20 HN LEU 20 1.180 0.647 -3.799 390 HA LEU 20 HA LEU 20 1.555 3.433 -4.214 391 1HB LEU 20 HB2 LEU 20 0.458 2.201 -1.706 392 2HB LEU 20 HB1 LEU 20 0.083 3.766 -2.401 393 HG LEU 20 HG LEU 20 -0.838 1.057 -3.317 394 1HD1 LEU 20 HD11 LEU 20 -2.270 1.936 -1.687 395 2HD1 LEU 20 HD12 LEU 20 -3.048 2.316 -3.223 396 3HD1 LEU 20 HD13 LEU 20 -2.164 3.567 -2.348 397 1HD2 LEU 20 HD21 LEU 20 -0.431 3.500 -4.904 398 2HD2 LEU 20 HD22 LEU 20 -2.020 2.750 -5.061 399 3HD2 LEU 20 HD23 LEU 20 -0.567 1.818 -5.418 400 H GLN 21 HN GLN 21 2.599 1.229 -1.620 401 HA GLN 21 HA GLN 21 3.958 3.007 -0.021 402 1HB GLN 21 HB2 GLN 21 3.552 0.481 0.291 403 2HB GLN 21 HB1 GLN 21 5.055 0.266 -0.594 404 1HG GLN 21 HG2 GLN 21 6.327 1.257 1.082 405 2HG GLN 21 HG1 GLN 21 4.926 2.033 1.817 406 1HE2 GLN 21 HE21 GLN 21 5.597 1.147 3.823 407 2HE2 GLN 21 HE22 GLN 21 5.274 -0.505 4.211 408 H ALA 22 HN ALA 22 5.056 1.462 -2.986 409 HA ALA 22 HA ALA 22 7.743 2.387 -2.822 410 1HB ALA 22 HB1 ALA 22 8.080 1.236 -4.735 411 2HB ALA 22 HB2 ALA 22 6.617 1.861 -5.496 412 3HB ALA 22 HB3 ALA 22 6.510 0.534 -4.340 413 H LYS 23 HN LYS 23 4.763 3.712 -4.052 414 HA LYS 23 HA LYS 23 5.898 5.776 -5.635 415 1HB LYS 23 HB2 LYS 23 3.329 4.807 -5.093 416 2HB LYS 23 HB1 LYS 23 3.314 6.468 -4.521 417 1HG LYS 23 HG2 LYS 23 2.632 6.683 -6.712 418 2HG LYS 23 HG1 LYS 23 4.361 7.019 -6.820 419 1HD LYS 23 HD2 LYS 23 4.250 5.511 -8.505 420 2HD LYS 23 HD1 LYS 23 4.397 4.358 -7.176 421 1HE LYS 23 HE2 LYS 23 2.043 3.989 -7.135 422 2HE LYS 23 HE1 LYS 23 1.755 5.325 -8.249 423 1HZ LYS 23 HZ1 LYS 23 1.729 2.943 -9.156 424 2HZ LYS 23 HZ2 LYS 23 3.415 3.027 -9.060 425 3HZ LYS 23 HZ3 LYS 23 2.570 4.121 -10.032 426 H ARG 24 HN ARG 24 5.048 5.498 -2.247 427 HA ARG 24 HA ARG 24 5.270 8.278 -1.649 428 1HB ARG 24 HB2 ARG 24 4.740 5.811 -0.205 429 2HB ARG 24 HB1 ARG 24 5.775 6.892 0.715 430 1HG ARG 24 HG2 ARG 24 3.977 8.677 0.024 431 2HG ARG 24 HG1 ARG 24 2.961 7.246 -0.162 432 1HD ARG 24 HD2 ARG 24 2.660 7.147 2.033 433 2HD ARG 24 HD1 ARG 24 4.400 7.023 2.282 434 HE ARG 24 HE ARG 24 3.325 9.692 1.861 435 1HH1 ARG 24 HH11 ARG 24 4.416 7.285 4.147 436 2HH1 ARG 24 HH12 ARG 24 4.691 8.435 5.411 437 1HH2 ARG 24 HH21 ARG 24 3.686 11.198 3.526 438 2HH2 ARG 24 HH22 ARG 24 4.275 10.653 5.061 439 H THR 25 HN THR 25 7.482 5.523 -1.411 440 HA THR 25 HA THR 25 9.577 6.878 -0.105 441 HB THR 25 HB THR 25 10.326 4.734 -1.985 442 HG1 THR 25 HG1 THR 25 8.503 4.274 0.137 443 1HG2 THR 25 HG21 THR 25 10.613 4.807 0.999 444 2HG2 THR 25 HG22 THR 25 11.752 5.589 -0.098 445 3HG2 THR 25 HG23 THR 25 11.519 3.842 -0.165 446 H ARG 26 HN ARG 26 9.252 6.017 -3.559 447 HA ARG 26 HA ARG 26 11.518 7.239 -4.521 448 1HB ARG 26 HB2 ARG 26 10.428 7.363 -6.681 449 2HB ARG 26 HB1 ARG 26 9.986 5.859 -5.886 450 1HG ARG 26 HG2 ARG 26 7.956 6.511 -6.682 451 2HG ARG 26 HG1 ARG 26 7.918 7.264 -5.088 452 1HD ARG 26 HD2 ARG 26 7.772 9.296 -5.981 453 2HD ARG 26 HD1 ARG 26 9.183 9.007 -6.997 454 HE ARG 26 HE ARG 26 6.426 8.857 -7.778 455 1HH1 ARG 26 HH11 ARG 26 9.648 7.716 -8.479 456 2HH1 ARG 26 HH12 ARG 26 9.297 7.361 -10.136 457 1HH2 ARG 26 HH21 ARG 26 5.962 8.391 -9.958 458 2HH2 ARG 26 HH22 ARG 26 7.204 7.745 -10.977 459 H LEU 27 HN LEU 27 8.380 8.702 -3.835 460 HA LEU 27 HA LEU 27 8.985 11.278 -4.809 461 1HB LEU 27 HB2 LEU 27 6.915 10.066 -3.099 462 2HB LEU 27 HB1 LEU 27 7.222 11.763 -2.785 463 HG LEU 27 HG LEU 27 7.009 11.476 -5.596 464 1HD1 LEU 27 HD11 LEU 27 5.038 9.852 -4.054 465 2HD1 LEU 27 HD12 LEU 27 5.822 9.506 -5.595 466 3HD1 LEU 27 HD13 LEU 27 4.527 10.700 -5.512 467 1HD2 LEU 27 HD21 LEU 27 6.025 13.422 -5.195 468 2HD2 LEU 27 HD22 LEU 27 5.956 13.059 -3.470 469 3HD2 LEU 27 HD23 LEU 27 4.632 12.572 -4.527 470 H VAL 28 HN VAL 28 9.456 9.711 -1.682 471 HA VAL 28 HA VAL 28 10.318 11.990 -0.259 472 HB VAL 28 HB VAL 28 11.211 9.147 0.208 473 1HG1 VAL 28 HG11 VAL 28 10.781 11.011 2.450 474 2HG1 VAL 28 HG12 VAL 28 12.149 11.376 1.396 475 3HG1 VAL 28 HG13 VAL 28 12.047 9.808 2.197 476 1HG2 VAL 28 HG21 VAL 28 8.587 10.250 0.354 477 2HG2 VAL 28 HG22 VAL 28 9.137 9.886 1.988 478 3HG2 VAL 28 HG23 VAL 28 9.125 8.621 0.760 479 H GLN 29 HN GLN 29 12.064 9.519 -2.093 480 HA GLN 29 HA GLN 29 14.674 10.287 -1.602 481 1HB GLN 29 HB2 GLN 29 13.561 9.336 -4.250 482 2HB GLN 29 HB1 GLN 29 15.242 9.259 -3.743 483 1HG GLN 29 HG2 GLN 29 13.410 7.959 -1.886 484 2HG GLN 29 HG1 GLN 29 13.401 7.252 -3.501 485 1HE2 GLN 29 HE21 GLN 29 15.119 7.629 -0.571 486 2HE2 GLN 29 HE22 GLN 29 16.494 6.669 -0.988 487 H GLN 30 HN GLN 30 12.229 11.791 -3.557 488 HA GLN 30 HA GLN 30 14.018 13.559 -4.945 489 1HB GLN 30 HB2 GLN 30 11.564 12.739 -5.536 490 2HB GLN 30 HB1 GLN 30 11.116 14.179 -4.630 491 1HG GLN 30 HG2 GLN 30 11.931 15.598 -6.202 492 2HG GLN 30 HG1 GLN 30 13.188 14.476 -6.725 493 1HE2 GLN 30 HE21 GLN 30 9.728 15.115 -6.851 494 2HE2 GLN 30 HE22 GLN 30 9.450 14.319 -8.359 495 H HIS 31 HN HIS 31 12.173 13.617 -1.971 496 HA HIS 31 HA HIS 31 13.438 16.179 -1.312 497 1HB HIS 31 HB2 HIS 31 11.397 17.094 -0.386 498 2HB HIS 31 HB1 HIS 31 11.124 16.656 -2.068 499 HD1 HIS 31 HD1 HIS 31 9.900 14.225 -2.365 500 HD2 HIS 31 HD2 HIS 31 9.541 16.093 1.324 501 HE1 HIS 31 HE1 HIS 31 7.930 13.139 -1.252 502 HE2 HIS 31 HE2 HIS 31 7.864 14.149 1.054 503 HA PRO 32 HA PRO 32 13.650 12.837 2.017 504 1HB PRO 32 HB2 PRO 32 16.378 12.885 2.242 505 2HB PRO 32 HB1 PRO 32 15.496 11.779 1.185 506 1HG PRO 32 HG2 PRO 32 16.887 14.338 0.513 507 2HG PRO 32 HG1 PRO 32 16.836 12.816 -0.394 508 1HD PRO 32 HD2 PRO 32 15.320 14.955 -1.056 509 2HD PRO 32 HD1 PRO 32 14.776 13.285 -1.310 510 H ARG 33 HN ARG 33 16.501 14.881 2.301 511 HA ARG 33 HA ARG 33 17.182 16.273 3.968 512 1HB ARG 33 HB2 ARG 33 14.352 17.315 3.902 513 2HB ARG 33 HB1 ARG 33 15.811 18.194 4.336 514 1HG ARG 33 HG2 ARG 33 15.019 17.217 1.604 515 2HG ARG 33 HG1 ARG 33 15.129 18.888 2.159 516 1HD ARG 33 HD2 ARG 33 17.636 17.804 2.690 517 2HD ARG 33 HD1 ARG 33 17.191 17.142 1.118 518 HE ARG 33 HE ARG 33 17.393 19.238 0.209 519 1HH1 ARG 33 HH11 ARG 33 17.356 19.502 3.690 520 2HH1 ARG 33 HH12 ARG 33 17.792 21.177 3.691 521 1HH2 ARG 33 HH21 ARG 33 17.966 21.442 0.210 522 2HH2 ARG 33 HH22 ARG 33 18.137 22.279 1.717 Start of MODEL 46 1 H CYS 1 HT1 CYS 1 11.209 24.592 -5.431 2 HA CYS 1 HA CYS 1 8.885 26.274 -6.066 3 1HB CYS 1 HB2 CYS 1 10.140 23.978 -7.472 4 2HB CYS 1 HB1 CYS 1 8.388 23.936 -7.308 5 HG CYS 1 HG CYS 1 8.489 25.272 -9.374 6 H GLY 2 HN GLY 2 8.078 26.183 -3.981 7 1HA GLY 2 HA2 GLY 2 6.783 25.263 -2.315 8 2HA GLY 2 HA1 GLY 2 6.713 23.787 -3.264 9 H GLY 3 HN GLY 3 7.231 24.471 -0.324 10 1HA GLY 3 HA2 GLY 3 9.895 23.329 0.039 11 2HA GLY 3 HA1 GLY 3 8.866 23.990 1.302 12 H ASP 4 HN ASP 4 6.783 22.688 1.648 13 HA ASP 4 HA ASP 4 7.548 19.857 1.801 14 1HB ASP 4 HB2 ASP 4 5.461 21.405 3.338 15 2HB ASP 4 HB1 ASP 4 5.821 19.695 3.557 16 H ASN 5 HN ASN 5 6.121 21.500 -0.427 17 HA ASN 5 HA ASN 5 3.502 20.670 -0.749 18 1HB ASN 5 HB2 ASN 5 5.673 21.529 -2.577 19 2HB ASN 5 HB1 ASN 5 4.339 20.649 -3.317 20 1HD2 ASN 5 HD21 ASN 5 2.173 21.475 -2.005 21 2HD2 ASN 5 HD22 ASN 5 1.947 23.178 -2.184 22 H ILE 6 HN ILE 6 6.479 18.945 -1.159 23 HA ILE 6 HA ILE 6 5.331 16.692 -2.521 24 HB ILE 6 HB ILE 6 7.959 16.792 -1.050 25 1HG1 ILE 6 HG12 ILE 6 8.140 17.146 -3.929 26 2HG1 ILE 6 HG11 ILE 6 7.212 18.441 -3.183 27 1HG2 ILE 6 HG21 ILE 6 8.617 15.021 -2.539 28 2HG2 ILE 6 HG22 ILE 6 7.093 15.144 -3.418 29 3HG2 ILE 6 HG23 ILE 6 7.104 14.581 -1.747 30 1HD1 ILE 6 HD11 ILE 6 9.400 19.220 -3.188 31 2HD1 ILE 6 HD12 ILE 6 10.057 17.656 -2.703 32 3HD1 ILE 6 HD13 ILE 6 9.162 18.635 -1.542 33 H GLU 7 HN GLU 7 6.412 17.445 0.755 34 HA GLU 7 HA GLU 7 5.984 14.972 1.956 35 1HB GLU 7 HB2 GLU 7 7.134 16.909 3.017 36 2HB GLU 7 HB1 GLU 7 5.570 17.687 3.219 37 1HG GLU 7 HG2 GLU 7 4.871 16.140 4.815 38 2HG GLU 7 HG1 GLU 7 6.110 14.972 4.359 39 H GLN 8 HN GLN 8 3.732 17.405 0.945 40 HA GLN 8 HA GLN 8 1.525 16.408 2.489 41 1HB GLN 8 HB2 GLN 8 1.617 18.758 1.793 42 2HB GLN 8 HB1 GLN 8 1.594 18.269 0.104 43 1HG GLN 8 HG2 GLN 8 -0.639 17.217 0.540 44 2HG GLN 8 HG1 GLN 8 -0.609 17.983 2.128 45 1HE2 GLN 8 HE21 GLN 8 -1.157 20.075 2.313 46 2HE2 GLN 8 HE22 GLN 8 -1.592 21.096 0.989 47 H LYS 9 HN LYS 9 2.655 16.141 -0.840 48 HA LYS 9 HA LYS 9 0.508 14.671 -1.875 49 1HB LYS 9 HB2 LYS 9 3.161 15.441 -2.724 50 2HB LYS 9 HB1 LYS 9 2.811 13.790 -3.215 51 1HG LYS 9 HG2 LYS 9 0.514 15.304 -3.803 52 2HG LYS 9 HG1 LYS 9 1.901 16.245 -4.354 53 1HD LYS 9 HD2 LYS 9 2.585 13.777 -5.232 54 2HD LYS 9 HD1 LYS 9 0.826 13.690 -5.348 55 1HE LYS 9 HE2 LYS 9 0.844 15.787 -6.653 56 2HE LYS 9 HE1 LYS 9 2.606 15.785 -6.590 57 1HZ LYS 9 HZ1 LYS 9 1.099 13.494 -7.695 58 2HZ LYS 9 HZ2 LYS 9 2.722 13.904 -7.938 59 3HZ LYS 9 HZ3 LYS 9 1.500 14.830 -8.653 60 H ILE 10 HN ILE 10 3.465 13.648 -0.237 61 HA ILE 10 HA ILE 10 3.062 10.868 -0.631 62 HB ILE 10 HB ILE 10 4.617 10.598 1.317 63 1HG1 ILE 10 HG12 ILE 10 4.920 13.595 1.098 64 2HG1 ILE 10 HG11 ILE 10 4.035 12.785 2.388 65 1HG2 ILE 10 HG21 ILE 10 5.248 10.761 -1.129 66 2HG2 ILE 10 HG22 ILE 10 6.529 11.089 0.037 67 3HG2 ILE 10 HG23 ILE 10 5.727 12.424 -0.789 68 1HD1 ILE 10 HD11 ILE 10 6.094 11.621 3.038 69 2HD1 ILE 10 HD12 ILE 10 6.243 13.375 3.136 70 3HD1 ILE 10 HD13 ILE 10 6.966 12.503 1.784 71 H ASP 11 HN ASP 11 2.198 13.093 1.986 72 HA ASP 11 HA ASP 11 1.308 11.323 3.901 73 1HB ASP 11 HB2 ASP 11 0.349 14.055 3.088 74 2HB ASP 11 HB1 ASP 11 -0.469 13.168 4.370 75 H ASP 12 HN ASP 12 -0.193 12.344 0.924 76 HA ASP 12 HA ASP 12 -2.729 11.119 1.380 77 1HB ASP 12 HB2 ASP 12 -2.344 12.907 -0.318 78 2HB ASP 12 HB1 ASP 12 -1.391 11.766 -1.262 79 H ILE 13 HN ILE 13 0.297 10.153 -0.107 80 HA ILE 13 HA ILE 13 -0.518 7.670 -1.147 81 HB ILE 13 HB ILE 13 2.231 8.366 -0.095 82 1HG1 ILE 13 HG12 ILE 13 1.007 8.869 -2.820 83 2HG1 ILE 13 HG11 ILE 13 1.497 10.093 -1.654 84 1HG2 ILE 13 HG21 ILE 13 3.055 6.648 -1.477 85 2HG2 ILE 13 HG22 ILE 13 1.531 6.506 -2.352 86 3HG2 ILE 13 HG23 ILE 13 1.641 5.959 -0.680 87 1HD1 ILE 13 HD11 ILE 13 3.009 9.092 -3.734 88 2HD1 ILE 13 HD12 ILE 13 3.671 8.304 -2.302 89 3HD1 ILE 13 HD13 ILE 13 3.589 10.063 -2.381 90 H ASP 14 HN ASP 14 1.061 8.509 1.936 91 HA ASP 14 HA ASP 14 1.285 6.017 3.073 92 1HB ASP 14 HB2 ASP 14 1.736 8.540 3.947 93 2HB ASP 14 HB1 ASP 14 0.315 8.130 4.901 94 H HIS 15 HN HIS 15 -1.593 7.970 2.681 95 HA HIS 15 HA HIS 15 -3.233 6.380 4.413 96 1HB HIS 15 HB2 HIS 15 -3.562 8.842 3.583 97 2HB HIS 15 HB1 HIS 15 -4.330 8.074 2.197 98 HD1 HIS 15 HD1 HIS 15 -5.277 5.836 4.634 99 HD2 HIS 15 HD2 HIS 15 -6.336 9.791 3.931 100 HE1 HIS 15 HE1 HIS 15 -7.483 6.158 5.798 101 HE2 HIS 15 HE2 HIS 15 -8.058 8.583 5.436 102 H GLU 16 HN GLU 16 -2.270 6.298 1.087 103 HA GLU 16 HA GLU 16 -4.318 4.407 0.325 104 1HB GLU 16 HB2 GLU 16 -1.899 5.167 -1.299 105 2HB GLU 16 HB1 GLU 16 -3.452 4.574 -1.875 106 1HG GLU 16 HG2 GLU 16 -3.497 7.106 -0.361 107 2HG GLU 16 HG1 GLU 16 -2.726 7.148 -1.945 108 H ILE 17 HN ILE 17 -0.899 4.411 1.109 109 HA ILE 17 HA ILE 17 -0.261 1.801 0.295 110 HB ILE 17 HB ILE 17 0.951 3.243 2.656 111 1HG1 ILE 17 HG12 ILE 17 2.087 3.400 -0.106 112 2HG1 ILE 17 HG11 ILE 17 0.781 4.489 0.343 113 1HG2 ILE 17 HG21 ILE 17 2.106 1.331 2.767 114 2HG2 ILE 17 HG22 ILE 17 2.945 1.913 1.329 115 3HG2 ILE 17 HG23 ILE 17 1.576 0.812 1.167 116 1HD1 ILE 17 HD11 ILE 17 2.327 5.832 1.168 117 2HD1 ILE 17 HD12 ILE 17 3.579 4.603 0.992 118 3HD1 ILE 17 HD13 ILE 17 2.583 4.645 2.446 119 H ALA 18 HN ALA 18 -1.743 3.083 3.193 120 HA ALA 18 HA ALA 18 -1.619 0.600 4.646 121 1HB ALA 18 HB1 ALA 18 -3.429 2.089 6.006 122 2HB ALA 18 HB2 ALA 18 -2.515 3.346 5.172 123 3HB ALA 18 HB3 ALA 18 -1.682 2.201 6.222 124 H ASP 19 HN ASP 19 -4.020 2.365 2.763 125 HA ASP 19 HA ASP 19 -6.311 0.951 3.425 126 1HB ASP 19 HB2 ASP 19 -5.805 2.978 1.736 127 2HB ASP 19 HB1 ASP 19 -5.959 1.671 0.565 128 H LEU 20 HN LEU 20 -3.856 0.198 0.982 129 HA LEU 20 HA LEU 20 -5.154 -2.130 0.008 130 1HB LEU 20 HB2 LEU 20 -2.194 -1.648 -0.112 131 2HB LEU 20 HB1 LEU 20 -3.197 -2.539 -1.240 132 HG LEU 20 HG LEU 20 -2.979 0.440 -0.903 133 1HD1 LEU 20 HD11 LEU 20 -2.443 -1.524 -3.105 134 2HD1 LEU 20 HD12 LEU 20 -1.347 -0.350 -2.377 135 3HD1 LEU 20 HD13 LEU 20 -2.656 0.198 -3.423 136 1HD2 LEU 20 HD21 LEU 20 -5.207 0.486 -1.254 137 2HD2 LEU 20 HD22 LEU 20 -5.250 -1.157 -1.892 138 3HD2 LEU 20 HD23 LEU 20 -4.739 0.177 -2.926 139 H GLN 21 HN GLN 21 -2.421 -1.673 2.243 140 HA GLN 21 HA GLN 21 -1.827 -4.295 2.809 141 1HB GLN 21 HB2 GLN 21 -0.802 -2.050 3.688 142 2HB GLN 21 HB1 GLN 21 -1.893 -2.303 5.043 143 1HG GLN 21 HG2 GLN 21 -0.665 -4.753 4.735 144 2HG GLN 21 HG1 GLN 21 0.623 -3.595 4.410 145 1HE2 GLN 21 HE21 GLN 21 -2.124 -3.758 6.657 146 2HE2 GLN 21 HE22 GLN 21 -1.202 -3.417 8.076 147 H ALA 22 HN ALA 22 -4.374 -2.301 4.225 148 HA ALA 22 HA ALA 22 -5.235 -4.208 6.137 149 1HB ALA 22 HB1 ALA 22 -7.241 -2.326 5.074 150 2HB ALA 22 HB2 ALA 22 -5.776 -1.601 5.738 151 3HB ALA 22 HB3 ALA 22 -6.767 -2.662 6.739 152 H LYS 23 HN LYS 23 -5.952 -3.676 2.763 153 HA LYS 23 HA LYS 23 -8.294 -5.255 2.608 154 1HB LYS 23 HB2 LYS 23 -6.792 -3.669 0.863 155 2HB LYS 23 HB1 LYS 23 -6.733 -5.281 0.166 156 1HG LYS 23 HG2 LYS 23 -8.631 -4.542 -0.820 157 2HG LYS 23 HG1 LYS 23 -9.336 -5.181 0.666 158 1HD LYS 23 HD2 LYS 23 -10.266 -3.146 0.858 159 2HD LYS 23 HD1 LYS 23 -8.669 -2.645 1.415 160 1HE LYS 23 HE2 LYS 23 -8.756 -1.149 -0.247 161 2HE LYS 23 HE1 LYS 23 -8.401 -2.515 -1.304 162 1HZ LYS 23 HZ1 LYS 23 -10.275 -1.835 -2.312 163 2HZ LYS 23 HZ2 LYS 23 -10.877 -1.044 -0.944 164 3HZ LYS 23 HZ3 LYS 23 -11.045 -2.721 -1.094 165 H ARG 24 HN ARG 24 -4.873 -5.998 2.430 166 HA ARG 24 HA ARG 24 -5.213 -8.662 1.455 167 1HB ARG 24 HB2 ARG 24 -2.999 -6.943 2.284 168 2HB ARG 24 HB1 ARG 24 -2.764 -8.628 2.729 169 1HG ARG 24 HG2 ARG 24 -3.490 -9.051 0.241 170 2HG ARG 24 HG1 ARG 24 -2.947 -7.384 0.040 171 1HD ARG 24 HD2 ARG 24 -0.852 -8.098 -0.069 172 2HD ARG 24 HD1 ARG 24 -0.987 -8.706 1.578 173 HE ARG 24 HE ARG 24 -1.407 -10.257 -0.881 174 1HH1 ARG 24 HH11 ARG 24 -1.019 -10.158 2.594 175 2HH1 ARG 24 HH12 ARG 24 -0.759 -11.863 2.732 176 1HH2 ARG 24 HH21 ARG 24 -1.066 -12.493 -0.689 177 2HH2 ARG 24 HH22 ARG 24 -0.786 -13.187 0.873 178 H THR 25 HN THR 25 -4.583 -7.282 4.670 179 HA THR 25 HA THR 25 -4.412 -9.695 6.077 180 HB THR 25 HB THR 25 -5.663 -7.389 7.448 181 HG1 THR 25 HG1 THR 25 -3.145 -7.266 6.176 182 1HG2 THR 25 HG21 THR 25 -3.529 -9.369 8.021 183 2HG2 THR 25 HG22 THR 25 -4.901 -8.860 9.007 184 3HG2 THR 25 HG23 THR 25 -3.492 -7.812 8.850 185 H ARG 26 HN ARG 26 -7.207 -7.510 5.718 186 HA ARG 26 HA ARG 26 -9.081 -8.989 7.102 187 1HB ARG 26 HB2 ARG 26 -10.770 -7.926 5.537 188 2HB ARG 26 HB1 ARG 26 -9.695 -6.819 6.379 189 1HG ARG 26 HG2 ARG 26 -9.352 -5.908 4.377 190 2HG ARG 26 HG1 ARG 26 -8.322 -7.308 4.067 191 1HD ARG 26 HD2 ARG 26 -10.004 -6.850 2.280 192 2HD ARG 26 HD1 ARG 26 -10.106 -8.466 2.978 193 HE ARG 26 HE ARG 26 -11.856 -6.550 4.218 194 1HH1 ARG 26 HH11 ARG 26 -11.506 -8.843 1.610 195 2HH1 ARG 26 HH12 ARG 26 -13.211 -9.081 1.425 196 1HH2 ARG 26 HH21 ARG 26 -14.099 -6.863 3.975 197 2HH2 ARG 26 HH22 ARG 26 -14.683 -7.957 2.766 198 H LEU 27 HN LEU 27 -8.143 -9.254 3.699 199 HA LEU 27 HA LEU 27 -9.957 -11.270 2.980 200 1HB LEU 27 HB2 LEU 27 -7.403 -10.222 1.893 201 2HB LEU 27 HB1 LEU 27 -7.896 -11.814 1.349 202 HG LEU 27 HG LEU 27 -9.590 -9.327 1.116 203 1HD1 LEU 27 HD11 LEU 27 -8.840 -9.004 -1.006 204 2HD1 LEU 27 HD12 LEU 27 -8.438 -10.704 -1.243 205 3HD1 LEU 27 HD13 LEU 27 -7.373 -9.671 -0.290 206 1HD2 LEU 27 HD21 LEU 27 -10.129 -11.674 -0.560 207 2HD2 LEU 27 HD22 LEU 27 -11.243 -10.603 0.290 208 3HD2 LEU 27 HD23 LEU 27 -10.437 -11.908 1.161 209 H VAL 28 HN VAL 28 -6.801 -11.361 4.523 210 HA VAL 28 HA VAL 28 -6.398 -14.160 4.345 211 HB VAL 28 HB VAL 28 -5.367 -12.313 6.494 212 1HG1 VAL 28 HG11 VAL 28 -4.844 -15.113 5.743 213 2HG1 VAL 28 HG12 VAL 28 -4.694 -14.308 7.305 214 3HG1 VAL 28 HG13 VAL 28 -3.421 -14.132 6.097 215 1HG2 VAL 28 HG21 VAL 28 -3.419 -12.880 4.487 216 2HG2 VAL 28 HG22 VAL 28 -4.064 -11.320 4.993 217 3HG2 VAL 28 HG23 VAL 28 -4.864 -12.231 3.713 218 H GLN 29 HN GLN 29 -7.850 -12.072 6.801 219 HA GLN 29 HA GLN 29 -8.335 -13.919 8.802 220 1HB GLN 29 HB2 GLN 29 -9.671 -11.407 7.916 221 2HB GLN 29 HB1 GLN 29 -10.539 -12.430 9.052 222 1HG GLN 29 HG2 GLN 29 -9.294 -10.729 10.227 223 2HG GLN 29 HG1 GLN 29 -8.642 -12.326 10.592 224 1HE2 GLN 29 HE21 GLN 29 -6.685 -12.969 9.517 225 2HE2 GLN 29 HE22 GLN 29 -5.541 -11.772 9.025 226 H GLN 30 HN GLN 30 -9.881 -13.491 5.722 227 HA GLN 30 HA GLN 30 -12.150 -15.150 6.303 228 1HB GLN 30 HB2 GLN 30 -11.046 -13.792 3.892 229 2HB GLN 30 HB1 GLN 30 -12.157 -15.131 3.643 230 1HG GLN 30 HG2 GLN 30 -13.834 -13.992 5.007 231 2HG GLN 30 HG1 GLN 30 -12.719 -12.650 5.252 232 1HE2 GLN 30 HE21 GLN 30 -14.240 -14.529 2.661 233 2HE2 GLN 30 HE22 GLN 30 -14.471 -13.192 1.591 234 H HIS 31 HN HIS 31 -8.937 -15.596 4.965 235 HA HIS 31 HA HIS 31 -9.418 -18.493 4.999 236 1HB HIS 31 HB2 HIS 31 -8.273 -18.842 2.914 237 2HB HIS 31 HB1 HIS 31 -9.555 -17.667 2.648 238 HD1 HIS 31 HD1 HIS 31 -8.497 -15.044 3.031 239 HD2 HIS 31 HD2 HIS 31 -6.021 -18.073 1.646 240 HE1 HIS 31 HE1 HIS 31 -6.592 -13.885 1.880 241 HE2 HIS 31 HE2 HIS 31 -5.000 -15.735 1.268 242 HA PRO 32 HA PRO 32 -5.454 -17.178 7.138 243 1HB PRO 32 HB2 PRO 32 -6.086 -17.971 9.636 244 2HB PRO 32 HB1 PRO 32 -6.534 -16.379 9.014 245 1HG PRO 32 HG2 PRO 32 -8.199 -18.855 9.258 246 2HG PRO 32 HG1 PRO 32 -8.629 -17.176 9.633 247 1HD PRO 32 HD2 PRO 32 -9.352 -18.426 7.319 248 2HD PRO 32 HD1 PRO 32 -9.090 -16.676 7.439 249 H ARG 33 HN ARG 33 -7.471 -20.046 7.276 250 HA ARG 33 HA ARG 33 -5.044 -21.695 7.222 251 1HB ARG 33 HB2 ARG 33 -7.463 -22.151 8.975 252 2HB ARG 33 HB1 ARG 33 -6.218 -23.358 8.690 253 1HG ARG 33 HG2 ARG 33 -5.056 -22.523 10.374 254 2HG ARG 33 HG1 ARG 33 -4.892 -21.006 9.488 255 1HD ARG 33 HD2 ARG 33 -6.710 -20.037 10.563 256 2HD ARG 33 HD1 ARG 33 -7.384 -21.596 11.038 257 HE ARG 33 HE ARG 33 -5.045 -21.504 12.388 258 1HH1 ARG 33 HH11 ARG 33 -7.721 -19.282 12.114 259 2HH1 ARG 33 HH12 ARG 33 -7.501 -18.625 13.701 260 1HH2 ARG 33 HH21 ARG 33 -4.753 -20.643 14.475 261 2HH2 ARG 33 HH22 ARG 33 -5.816 -19.398 15.042 262 H CYS 1 HN CYS 1 -18.335 -23.018 -3.192 263 HA CYS 1 HA CYS 1 -16.325 -22.294 -4.036 264 1HB CYS 1 HB2 CYS 1 -18.328 -20.625 -4.720 265 2HB CYS 1 HB1 CYS 1 -17.260 -19.483 -3.913 266 HG CYS 1 HG CYS 1 -16.709 -20.870 -6.596 267 H GLY 2 HN GLY 2 -14.451 -22.214 -3.000 268 1HA GLY 2 HA2 GLY 2 -13.804 -19.949 -1.319 269 2HA GLY 2 HA1 GLY 2 -13.895 -21.482 -0.465 270 H GLY 3 HN GLY 3 -12.104 -22.680 -0.368 271 1HA GLY 3 HA2 GLY 3 -9.982 -23.443 -0.791 272 2HA GLY 3 HA1 GLY 3 -10.241 -22.973 -2.464 273 H ASP 4 HN ASP 4 -8.188 -22.160 -2.784 274 HA ASP 4 HA ASP 4 -7.234 -20.032 -1.033 275 1HB ASP 4 HB2 ASP 4 -5.938 -21.363 -3.413 276 2HB ASP 4 HB1 ASP 4 -5.171 -20.162 -2.380 277 H ASN 5 HN ASN 5 -9.466 -19.938 -3.220 278 HA ASN 5 HA ASN 5 -8.743 -18.265 -5.297 279 1HB ASN 5 HB2 ASN 5 -10.976 -19.300 -5.079 280 2HB ASN 5 HB1 ASN 5 -11.342 -18.214 -3.743 281 1HD2 ASN 5 HD21 ASN 5 -9.795 -17.695 -6.890 282 2HD2 ASN 5 HD22 ASN 5 -10.891 -16.468 -7.417 283 H ILE 6 HN ILE 6 -9.253 -17.583 -1.933 284 HA ILE 6 HA ILE 6 -9.301 -14.731 -2.192 285 HB ILE 6 HB ILE 6 -8.648 -16.332 0.278 286 1HG1 ILE 6 HG12 ILE 6 -11.363 -15.438 0.256 287 2HG1 ILE 6 HG11 ILE 6 -11.068 -16.333 -1.231 288 1HG2 ILE 6 HG21 ILE 6 -9.443 -14.400 1.480 289 2HG2 ILE 6 HG22 ILE 6 -9.889 -13.604 -0.029 290 3HG2 ILE 6 HG23 ILE 6 -8.192 -13.908 0.338 291 1HD1 ILE 6 HD11 ILE 6 -11.181 -17.267 1.551 292 2HD1 ILE 6 HD12 ILE 6 -9.929 -17.993 0.544 293 3HD1 ILE 6 HD13 ILE 6 -11.621 -18.086 0.053 294 H GLU 7 HN GLU 7 -6.913 -17.165 -1.270 295 HA GLU 7 HA GLU 7 -4.792 -15.514 -0.583 296 1HB GLU 7 HB2 GLU 7 -5.148 -18.200 -0.731 297 2HB GLU 7 HB1 GLU 7 -4.086 -17.943 -2.108 298 1HG GLU 7 HG2 GLU 7 -2.315 -17.366 -0.817 299 2HG GLU 7 HG1 GLU 7 -3.323 -16.656 0.444 300 H GLN 8 HN GLN 8 -6.015 -16.433 -3.717 301 HA GLN 8 HA GLN 8 -3.771 -15.433 -5.192 302 1HB GLN 8 HB2 GLN 8 -5.735 -17.140 -5.830 303 2HB GLN 8 HB1 GLN 8 -6.442 -15.666 -6.474 304 1HG GLN 8 HG2 GLN 8 -3.970 -15.468 -7.497 305 2HG GLN 8 HG1 GLN 8 -4.123 -17.222 -7.406 306 1HE2 GLN 8 HE21 GLN 8 -6.735 -17.634 -7.958 307 2HE2 GLN 8 HE22 GLN 8 -7.106 -17.102 -9.558 308 H LYS 9 HN LYS 9 -6.950 -14.240 -4.270 309 HA LYS 9 HA LYS 9 -6.897 -11.849 -5.754 310 1HB LYS 9 HB2 LYS 9 -8.777 -13.095 -4.274 311 2HB LYS 9 HB1 LYS 9 -8.300 -11.835 -3.146 312 1HG LYS 9 HG2 LYS 9 -8.710 -10.800 -5.822 313 2HG LYS 9 HG1 LYS 9 -10.144 -11.609 -5.188 314 1HD LYS 9 HD2 LYS 9 -8.794 -9.840 -3.275 315 2HD LYS 9 HD1 LYS 9 -9.463 -9.018 -4.687 316 1HE LYS 9 HE2 LYS 9 -11.216 -11.023 -3.425 317 2HE LYS 9 HE1 LYS 9 -10.873 -9.593 -2.452 318 1HZ LYS 9 HZ1 LYS 9 -12.850 -9.659 -4.165 319 2HZ LYS 9 HZ2 LYS 9 -11.637 -9.186 -5.245 320 3HZ LYS 9 HZ3 LYS 9 -11.973 -8.239 -3.884 321 H ILE 10 HN ILE 10 -5.724 -12.676 -2.534 322 HA ILE 10 HA ILE 10 -5.080 -9.998 -1.804 323 HB ILE 10 HB ILE 10 -3.623 -11.066 -0.064 324 1HG1 ILE 10 HG12 ILE 10 -4.891 -13.626 -1.054 325 2HG1 ILE 10 HG11 ILE 10 -3.205 -13.180 -1.300 326 1HG2 ILE 10 HG21 ILE 10 -5.751 -10.388 0.625 327 2HG2 ILE 10 HG22 ILE 10 -5.632 -12.065 1.160 328 3HG2 ILE 10 HG23 ILE 10 -6.552 -11.664 -0.290 329 1HD1 ILE 10 HD11 ILE 10 -4.592 -13.807 1.282 330 2HD1 ILE 10 HD12 ILE 10 -3.000 -13.055 1.204 331 3HD1 ILE 10 HD13 ILE 10 -3.249 -14.662 0.524 332 H ASP 11 HN ASP 11 -3.197 -12.700 -3.141 333 HA ASP 11 HA ASP 11 -0.658 -11.630 -3.040 334 1HB ASP 11 HB2 ASP 11 -2.047 -13.522 -4.867 335 2HB ASP 11 HB1 ASP 11 -0.522 -12.847 -5.433 336 H ASP 12 HN ASP 12 -3.304 -10.897 -5.190 337 HA ASP 12 HA ASP 12 -1.852 -9.290 -7.030 338 1HB ASP 12 HB2 ASP 12 -4.706 -9.802 -6.410 339 2HB ASP 12 HB1 ASP 12 -4.353 -8.255 -7.173 340 H ILE 13 HN ILE 13 -3.760 -8.595 -4.138 341 HA ILE 13 HA ILE 13 -3.453 -5.805 -4.151 342 HB ILE 13 HB ILE 13 -3.717 -7.579 -1.719 343 1HG1 ILE 13 HG12 ILE 13 -5.847 -6.379 -3.503 344 2HG1 ILE 13 HG11 ILE 13 -5.483 -8.092 -3.319 345 1HG2 ILE 13 HG21 ILE 13 -3.303 -4.846 -1.891 346 2HG2 ILE 13 HG22 ILE 13 -3.926 -5.728 -0.497 347 3HG2 ILE 13 HG23 ILE 13 -5.043 -5.001 -1.651 348 1HD1 ILE 13 HD11 ILE 13 -7.349 -6.587 -1.904 349 2HD1 ILE 13 HD12 ILE 13 -6.041 -6.906 -0.765 350 3HD1 ILE 13 HD13 ILE 13 -6.843 -8.246 -1.585 351 H ASP 14 HN ASP 14 -1.520 -8.384 -2.656 352 HA ASP 14 HA ASP 14 0.304 -6.921 -1.215 353 1HB ASP 14 HB2 ASP 14 0.066 -9.560 -1.952 354 2HB ASP 14 HB1 ASP 14 1.553 -9.081 -2.763 355 H HIS 15 HN HIS 15 0.130 -7.373 -4.685 356 HA HIS 15 HA HIS 15 2.688 -6.206 -5.229 357 1HB HIS 15 HB2 HIS 15 1.391 -7.817 -6.730 358 2HB HIS 15 HB1 HIS 15 0.384 -6.438 -7.162 359 HD1 HIS 15 HD1 HIS 15 3.938 -5.630 -6.683 360 HD2 HIS 15 HD2 HIS 15 1.461 -6.794 -9.810 361 HE1 HIS 15 HE1 HIS 15 5.231 -5.141 -8.784 362 HE2 HIS 15 HE2 HIS 15 3.680 -5.775 -10.664 363 H GLU 16 HN GLU 16 -0.562 -5.055 -4.792 364 HA GLU 16 HA GLU 16 0.014 -2.445 -5.895 365 1HB GLU 16 HB2 GLU 16 -2.420 -3.162 -4.281 366 2HB GLU 16 HB1 GLU 16 -2.256 -1.924 -5.518 367 1HG GLU 16 HG2 GLU 16 -1.948 -4.829 -6.179 368 2HG GLU 16 HG1 GLU 16 -3.537 -4.068 -6.088 369 H ILE 17 HN ILE 17 -0.217 -3.969 -2.759 370 HA ILE 17 HA ILE 17 -0.287 -1.653 -1.159 371 HB ILE 17 HB ILE 17 0.959 -4.305 -0.420 372 1HG1 ILE 17 HG12 ILE 17 -1.868 -3.589 0.227 373 2HG1 ILE 17 HG11 ILE 17 -1.500 -4.210 -1.376 374 1HG2 ILE 17 HG21 ILE 17 1.437 -3.138 1.434 375 2HG2 ILE 17 HG22 ILE 17 -0.279 -3.326 1.800 376 3HG2 ILE 17 HG23 ILE 17 0.303 -1.849 1.033 377 1HD1 ILE 17 HD11 ILE 17 -1.977 -5.661 0.963 378 2HD1 ILE 17 HD12 ILE 17 -0.258 -5.849 0.614 379 3HD1 ILE 17 HD13 ILE 17 -1.458 -6.279 -0.605 380 H ALA 18 HN ALA 18 2.311 -3.462 -2.654 381 HA ALA 18 HA ALA 18 4.414 -2.052 -1.289 382 1HB ALA 18 HB1 ALA 18 5.631 -3.239 -3.415 383 2HB ALA 18 HB2 ALA 18 4.206 -4.259 -3.209 384 3HB ALA 18 HB3 ALA 18 5.323 -4.023 -1.865 385 H ASP 19 HN ASP 19 2.797 -1.862 -4.411 386 HA ASP 19 HA ASP 19 4.515 -0.169 -5.774 387 1HB ASP 19 HB2 ASP 19 1.529 -0.515 -5.858 388 2HB ASP 19 HB1 ASP 19 2.335 0.665 -6.887 389 H LEU 20 HN LEU 20 1.971 0.636 -3.448 390 HA LEU 20 HA LEU 20 2.245 3.455 -3.737 391 1HB LEU 20 HB2 LEU 20 1.177 2.078 -1.294 392 2HB LEU 20 HB1 LEU 20 0.747 3.653 -1.929 393 HG LEU 20 HG LEU 20 -0.036 0.956 -3.009 394 1HD1 LEU 20 HD11 LEU 20 -1.517 3.292 -1.839 395 2HD1 LEU 20 HD12 LEU 20 -1.474 1.623 -1.271 396 3HD1 LEU 20 HD13 LEU 20 -2.319 2.024 -2.766 397 1HD2 LEU 20 HD21 LEU 20 -0.626 3.621 -4.283 398 2HD2 LEU 20 HD22 LEU 20 -1.047 2.019 -4.890 399 3HD2 LEU 20 HD23 LEU 20 0.641 2.528 -4.837 400 H GLN 21 HN GLN 21 3.277 1.205 -1.173 401 HA GLN 21 HA GLN 21 4.599 2.991 0.460 402 1HB GLN 21 HB2 GLN 21 4.163 0.449 0.741 403 2HB GLN 21 HB1 GLN 21 5.722 0.252 -0.049 404 1HG GLN 21 HG2 GLN 21 6.855 0.840 1.780 405 2HG GLN 21 HG1 GLN 21 5.762 2.175 2.143 406 1HE2 GLN 21 HE21 GLN 21 6.758 -0.922 2.996 407 2HE2 GLN 21 HE22 GLN 21 5.521 -1.278 4.149 408 H ALA 22 HN ALA 22 5.696 1.520 -2.529 409 HA ALA 22 HA ALA 22 8.410 2.397 -2.268 410 1HB ALA 22 HB1 ALA 22 8.623 1.684 -4.619 411 2HB ALA 22 HB2 ALA 22 6.882 1.405 -4.671 412 3HB ALA 22 HB3 ALA 22 7.898 0.443 -3.597 413 H LYS 23 HN LYS 23 5.471 3.758 -3.532 414 HA LYS 23 HA LYS 23 6.791 5.819 -5.052 415 1HB LYS 23 HB2 LYS 23 3.945 5.169 -4.379 416 2HB LYS 23 HB1 LYS 23 4.346 6.754 -5.025 417 1HG LYS 23 HG2 LYS 23 4.663 5.966 -7.095 418 2HG LYS 23 HG1 LYS 23 5.503 4.523 -6.524 419 1HD LYS 23 HD2 LYS 23 3.648 3.458 -7.226 420 2HD LYS 23 HD1 LYS 23 2.976 4.009 -5.689 421 1HE LYS 23 HE2 LYS 23 1.355 4.848 -7.015 422 2HE LYS 23 HE1 LYS 23 2.498 6.176 -7.208 423 1HZ LYS 23 HZ1 LYS 23 2.811 3.944 -9.042 424 2HZ LYS 23 HZ2 LYS 23 2.938 5.607 -9.327 425 3HZ LYS 23 HZ3 LYS 23 1.414 4.875 -9.249 426 H ARG 24 HN ARG 24 5.399 5.476 -1.856 427 HA ARG 24 HA ARG 24 5.351 8.255 -1.229 428 1HB ARG 24 HB2 ARG 24 4.313 6.028 -0.074 429 2HB ARG 24 HB1 ARG 24 5.675 6.338 0.993 430 1HG ARG 24 HG2 ARG 24 4.036 8.685 0.332 431 2HG ARG 24 HG1 ARG 24 3.234 7.440 1.291 432 1HD ARG 24 HD2 ARG 24 5.356 7.504 2.734 433 2HD ARG 24 HD1 ARG 24 5.671 9.039 1.932 434 HE ARG 24 HE ARG 24 3.146 9.340 2.820 435 1HH1 ARG 24 HH11 ARG 24 6.099 8.331 4.384 436 2HH1 ARG 24 HH12 ARG 24 5.641 8.956 5.932 437 1HH2 ARG 24 HH21 ARG 24 2.544 10.166 4.858 438 2HH2 ARG 24 HH22 ARG 24 3.624 9.997 6.201 439 H THR 25 HN THR 25 7.759 5.713 -0.903 440 HA THR 25 HA THR 25 9.527 7.226 0.756 441 HB THR 25 HB THR 25 10.653 5.100 -0.962 442 HG1 THR 25 HG1 THR 25 9.588 3.490 0.283 443 1HG2 THR 25 HG21 THR 25 10.663 4.902 1.975 444 2HG2 THR 25 HG22 THR 25 11.538 6.262 1.272 445 3HG2 THR 25 HG23 THR 25 11.952 4.612 0.807 446 H ARG 26 HN ARG 26 9.702 6.292 -2.694 447 HA ARG 26 HA ARG 26 11.972 7.658 -3.404 448 1HB ARG 26 HB2 ARG 26 11.148 7.685 -5.677 449 2HB ARG 26 HB1 ARG 26 10.693 6.168 -4.914 450 1HG ARG 26 HG2 ARG 26 8.607 6.533 -5.542 451 2HG ARG 26 HG1 ARG 26 8.558 7.922 -4.458 452 1HD ARG 26 HD2 ARG 26 8.667 9.391 -6.148 453 2HD ARG 26 HD1 ARG 26 9.903 8.461 -6.994 454 HE ARG 26 HE ARG 26 7.566 7.046 -7.309 455 1HH1 ARG 26 HH11 ARG 26 8.690 10.256 -8.096 456 2HH1 ARG 26 HH12 ARG 26 7.673 10.406 -9.488 457 1HH2 ARG 26 HH21 ARG 26 6.228 7.242 -9.142 458 2HH2 ARG 26 HH22 ARG 26 6.275 8.696 -10.083 459 H LEU 27 HN LEU 27 8.750 8.930 -2.872 460 HA LEU 27 HA LEU 27 9.271 11.536 -3.889 461 1HB LEU 27 HB2 LEU 27 7.116 10.200 -2.388 462 2HB LEU 27 HB1 LEU 27 7.296 11.910 -2.038 463 HG LEU 27 HG LEU 27 7.294 12.109 -4.677 464 1HD1 LEU 27 HD11 LEU 27 5.498 9.734 -4.310 465 2HD1 LEU 27 HD12 LEU 27 7.174 9.568 -4.831 466 3HD1 LEU 27 HD13 LEU 27 6.034 10.492 -5.809 467 1HD2 LEU 27 HD21 LEU 27 4.729 12.229 -4.490 468 2HD2 LEU 27 HD22 LEU 27 5.697 13.306 -3.482 469 3HD2 LEU 27 HD23 LEU 27 4.985 11.851 -2.786 470 H VAL 28 HN VAL 28 9.477 10.010 -0.712 471 HA VAL 28 HA VAL 28 10.077 12.310 0.791 472 HB VAL 28 HB VAL 28 11.088 9.519 1.313 473 1HG1 VAL 28 HG11 VAL 28 11.068 12.037 2.841 474 2HG1 VAL 28 HG12 VAL 28 12.166 10.659 2.935 475 3HG1 VAL 28 HG13 VAL 28 10.596 10.592 3.738 476 1HG2 VAL 28 HG21 VAL 28 8.780 10.218 2.864 477 2HG2 VAL 28 HG22 VAL 28 9.019 8.852 1.775 478 3HG2 VAL 28 HG23 VAL 28 8.419 10.384 1.145 479 H GLN 29 HN GLN 29 12.165 9.946 -0.819 480 HA GLN 29 HA GLN 29 14.645 10.943 -0.087 481 1HB GLN 29 HB2 GLN 29 13.592 9.249 -2.228 482 2HB GLN 29 HB1 GLN 29 15.016 10.158 -2.716 483 1HG GLN 29 HG2 GLN 29 16.390 9.050 -1.286 484 2HG GLN 29 HG1 GLN 29 15.112 8.753 -0.109 485 1HE2 GLN 29 HE21 GLN 29 13.431 7.183 -0.790 486 2HE2 GLN 29 HE22 GLN 29 13.939 5.804 -1.698 487 H GLN 30 HN GLN 30 12.322 12.112 -2.401 488 HA GLN 30 HA GLN 30 14.043 13.950 -3.730 489 1HB GLN 30 HB2 GLN 30 11.792 13.037 -4.544 490 2HB GLN 30 HB1 GLN 30 11.052 14.221 -3.475 491 1HG GLN 30 HG2 GLN 30 12.440 15.961 -4.702 492 2HG GLN 30 HG1 GLN 30 12.751 14.703 -5.897 493 1HE2 GLN 30 HE21 GLN 30 9.987 16.024 -4.097 494 2HE2 GLN 30 HE22 GLN 30 8.919 16.091 -5.453 495 H HIS 31 HN HIS 31 12.113 14.036 -0.810 496 HA HIS 31 HA HIS 31 13.230 16.691 -0.247 497 1HB HIS 31 HB2 HIS 31 11.126 17.488 0.682 498 2HB HIS 31 HB1 HIS 31 10.910 17.031 -1.004 499 HD1 HIS 31 HD1 HIS 31 9.897 14.484 -1.284 500 HD2 HIS 31 HD2 HIS 31 9.256 16.423 2.327 501 HE1 HIS 31 HE1 HIS 31 7.949 13.310 -0.226 502 HE2 HIS 31 HE2 HIS 31 7.750 14.347 2.059 503 HA PRO 32 HA PRO 32 13.758 13.755 3.308 504 1HB PRO 32 HB2 PRO 32 16.432 13.899 3.510 505 2HB PRO 32 HB1 PRO 32 15.644 12.826 2.346 506 1HG PRO 32 HG2 PRO 32 16.894 15.508 1.906 507 2HG PRO 32 HG1 PRO 32 16.994 14.048 0.905 508 1HD PRO 32 HD2 PRO 32 15.314 16.152 0.382 509 2HD PRO 32 HD1 PRO 32 15.003 14.484 -0.138 510 H ARG 33 HN ARG 33 15.097 16.925 2.606 511 HA ARG 33 HA ARG 33 14.752 17.637 5.438 512 1HB ARG 33 HB2 ARG 33 16.757 19.047 5.326 513 2HB ARG 33 HB1 ARG 33 17.144 17.359 5.024 514 1HG ARG 33 HG2 ARG 33 16.564 18.881 2.600 515 2HG ARG 33 HG1 ARG 33 17.961 19.471 3.503 516 1HD ARG 33 HD2 ARG 33 17.889 16.566 3.276 517 2HD ARG 33 HD1 ARG 33 17.951 17.377 1.712 518 HE ARG 33 HE ARG 33 19.860 18.387 3.606 519 1HH1 ARG 33 HH11 ARG 33 19.251 15.934 1.199 520 2HH1 ARG 33 HH12 ARG 33 20.929 15.663 0.869 521 1HH2 ARG 33 HH21 ARG 33 22.068 18.033 3.174 522 2HH2 ARG 33 HH22 ARG 33 22.529 16.854 1.991 Start of MODEL 47 1 H CYS 1 HT1 CYS 1 12.423 23.464 -7.749 2 HA CYS 1 HA CYS 1 9.893 24.945 -7.723 3 1HB CYS 1 HB2 CYS 1 11.263 24.547 -10.006 4 2HB CYS 1 HB1 CYS 1 10.478 22.977 -9.871 5 HG CYS 1 HG CYS 1 8.517 25.289 -9.640 6 H GLY 2 HN GLY 2 8.607 23.867 -6.379 7 1HA GLY 2 HA2 GLY 2 7.599 21.411 -6.535 8 2HA GLY 2 HA1 GLY 2 9.145 21.068 -5.772 9 H GLY 3 HN GLY 3 9.536 22.900 -3.930 10 1HA GLY 3 HA2 GLY 3 8.899 23.684 -1.865 11 2HA GLY 3 HA1 GLY 3 7.242 23.687 -2.450 12 H ASP 4 HN ASP 4 6.382 22.879 -0.542 13 HA ASP 4 HA ASP 4 7.325 20.305 0.437 14 1HB ASP 4 HB2 ASP 4 5.200 22.187 1.465 15 2HB ASP 4 HB1 ASP 4 5.656 20.674 2.244 16 H ASN 5 HN ASN 5 5.602 20.953 -2.113 17 HA ASN 5 HA ASN 5 3.082 19.848 -1.895 18 1HB ASN 5 HB2 ASN 5 3.924 20.899 -3.959 19 2HB ASN 5 HB1 ASN 5 5.011 19.537 -4.210 20 1HD2 ASN 5 HD21 ASN 5 1.628 19.619 -3.171 21 2HD2 ASN 5 HD22 ASN 5 1.024 18.665 -4.477 22 H ILE 6 HN ILE 6 6.203 18.318 -2.015 23 HA ILE 6 HA ILE 6 5.320 15.650 -2.395 24 HB ILE 6 HB ILE 6 7.847 16.889 -1.360 25 1HG1 ILE 6 HG12 ILE 6 7.482 15.042 -3.707 26 2HG1 ILE 6 HG11 ILE 6 7.207 16.776 -3.834 27 1HG2 ILE 6 HG21 ILE 6 8.176 15.037 -0.129 28 2HG2 ILE 6 HG22 ILE 6 8.581 14.306 -1.682 29 3HG2 ILE 6 HG23 ILE 6 6.962 14.112 -1.011 30 1HD1 ILE 6 HD11 ILE 6 9.790 15.649 -2.806 31 2HD1 ILE 6 HD12 ILE 6 9.450 17.274 -3.414 32 3HD1 ILE 6 HD13 ILE 6 9.483 15.904 -4.526 33 H GLU 7 HN GLU 7 6.181 17.570 0.453 34 HA GLU 7 HA GLU 7 5.865 15.645 2.427 35 1HB GLU 7 HB2 GLU 7 6.817 17.848 2.871 36 2HB GLU 7 HB1 GLU 7 5.266 18.608 2.547 37 1HG GLU 7 HG2 GLU 7 4.312 17.748 4.511 38 2HG GLU 7 HG1 GLU 7 5.619 16.585 4.734 39 H GLN 8 HN GLN 8 3.487 17.701 0.858 40 HA GLN 8 HA GLN 8 1.299 16.712 2.461 41 1HB GLN 8 HB2 GLN 8 1.648 19.032 1.188 42 2HB GLN 8 HB1 GLN 8 0.836 18.154 -0.100 43 1HG GLN 8 HG2 GLN 8 -0.869 17.575 1.811 44 2HG GLN 8 HG1 GLN 8 -0.198 19.032 2.543 45 1HE2 GLN 8 HE21 GLN 8 -1.676 17.787 -0.410 46 2HE2 GLN 8 HE22 GLN 8 -2.431 19.270 -0.872 47 H LYS 9 HN LYS 9 2.620 16.227 -0.756 48 HA LYS 9 HA LYS 9 0.546 14.651 -1.807 49 1HB LYS 9 HB2 LYS 9 3.401 15.135 -2.481 50 2HB LYS 9 HB1 LYS 9 2.642 13.708 -3.173 51 1HG LYS 9 HG2 LYS 9 0.810 15.246 -3.997 52 2HG LYS 9 HG1 LYS 9 1.868 16.584 -3.546 53 1HD LYS 9 HD2 LYS 9 2.154 16.085 -5.893 54 2HD LYS 9 HD1 LYS 9 3.620 15.642 -5.016 55 1HE LYS 9 HE2 LYS 9 3.385 13.456 -5.482 56 2HE LYS 9 HE1 LYS 9 1.640 13.492 -5.242 57 1HZ LYS 9 HZ1 LYS 9 1.259 13.877 -7.412 58 2HZ LYS 9 HZ2 LYS 9 2.782 13.170 -7.615 59 3HZ LYS 9 HZ3 LYS 9 2.627 14.854 -7.611 60 H ILE 10 HN ILE 10 3.235 13.886 0.303 61 HA ILE 10 HA ILE 10 2.981 11.051 -0.042 62 HB ILE 10 HB ILE 10 4.430 10.869 1.960 63 1HG1 ILE 10 HG12 ILE 10 4.475 13.888 1.809 64 2HG1 ILE 10 HG11 ILE 10 3.780 12.932 3.111 65 1HG2 ILE 10 HG21 ILE 10 5.481 12.705 -0.181 66 2HG2 ILE 10 HG22 ILE 10 5.317 10.955 -0.329 67 3HG2 ILE 10 HG23 ILE 10 6.434 11.640 0.851 68 1HD1 ILE 10 HD11 ILE 10 5.854 12.276 3.903 69 2HD1 ILE 10 HD12 ILE 10 6.109 13.956 3.432 70 3HD1 ILE 10 HD13 ILE 10 6.665 12.652 2.382 71 H ASP 11 HN ASP 11 1.998 13.361 2.488 72 HA ASP 11 HA ASP 11 0.965 11.600 4.344 73 1HB ASP 11 HB2 ASP 11 0.945 14.319 4.059 74 2HB ASP 11 HB1 ASP 11 -0.760 13.939 3.838 75 H ASP 12 HN ASP 12 -0.345 12.624 1.285 76 HA ASP 12 HA ASP 12 -2.942 11.496 1.627 77 1HB ASP 12 HB2 ASP 12 -1.366 12.482 -0.735 78 2HB ASP 12 HB1 ASP 12 -2.886 11.626 -0.977 79 H ILE 13 HN ILE 13 -0.007 10.435 -0.064 80 HA ILE 13 HA ILE 13 -0.980 7.975 -0.974 81 HB ILE 13 HB ILE 13 1.866 8.600 -0.171 82 1HG1 ILE 13 HG12 ILE 13 0.818 8.770 -2.976 83 2HG1 ILE 13 HG11 ILE 13 0.606 10.133 -1.883 84 1HG2 ILE 13 HG21 ILE 13 1.603 6.857 -2.426 85 2HG2 ILE 13 HG22 ILE 13 0.677 6.213 -1.070 86 3HG2 ILE 13 HG23 ILE 13 2.394 6.564 -0.877 87 1HD1 ILE 13 HD11 ILE 13 2.662 10.806 -2.317 88 2HD1 ILE 13 HD12 ILE 13 2.864 9.449 -3.427 89 3HD1 ILE 13 HD13 ILE 13 3.307 9.272 -1.729 90 H ASP 14 HN ASP 14 0.802 8.777 1.997 91 HA ASP 14 HA ASP 14 1.091 6.305 3.129 92 1HB ASP 14 HB2 ASP 14 1.432 8.910 3.979 93 2HB ASP 14 HB1 ASP 14 0.209 8.293 5.084 94 H HIS 15 HN HIS 15 -1.815 8.276 2.965 95 HA HIS 15 HA HIS 15 -3.339 6.627 4.739 96 1HB HIS 15 HB2 HIS 15 -3.770 9.083 4.103 97 2HB HIS 15 HB1 HIS 15 -4.492 8.440 2.630 98 HD1 HIS 15 HD1 HIS 15 -5.022 6.524 5.763 99 HD2 HIS 15 HD2 HIS 15 -7.012 9.399 3.518 100 HE1 HIS 15 HE1 HIS 15 -7.373 6.560 6.650 101 HE2 HIS 15 HE2 HIS 15 -8.535 8.371 5.339 102 H GLU 16 HN GLU 16 -2.593 6.618 1.353 103 HA GLU 16 HA GLU 16 -4.690 4.735 0.706 104 1HB GLU 16 HB2 GLU 16 -2.415 5.523 -1.097 105 2HB GLU 16 HB1 GLU 16 -4.019 4.960 -1.548 106 1HG GLU 16 HG2 GLU 16 -3.762 7.501 -0.018 107 2HG GLU 16 HG1 GLU 16 -3.361 7.488 -1.735 108 H ILE 17 HN ILE 17 -1.237 4.740 1.273 109 HA ILE 17 HA ILE 17 -0.633 2.159 0.340 110 HB ILE 17 HB ILE 17 0.723 3.585 2.632 111 1HG1 ILE 17 HG12 ILE 17 1.692 3.753 -0.190 112 2HG1 ILE 17 HG11 ILE 17 0.383 4.813 0.315 113 1HG2 ILE 17 HG21 ILE 17 1.853 1.649 2.661 114 2HG2 ILE 17 HG22 ILE 17 2.651 2.283 1.222 115 3HG2 ILE 17 HG23 ILE 17 1.286 1.177 1.060 116 1HD1 ILE 17 HD11 ILE 17 2.351 4.987 2.304 117 2HD1 ILE 17 HD12 ILE 17 1.897 6.207 1.114 118 3HD1 ILE 17 HD13 ILE 17 3.191 5.063 0.756 119 H ALA 18 HN ALA 18 -1.987 3.356 3.323 120 HA ALA 18 HA ALA 18 -1.718 0.860 4.739 121 1HB ALA 18 HB1 ALA 18 -2.654 3.578 5.347 122 2HB ALA 18 HB2 ALA 18 -1.739 2.441 6.339 123 3HB ALA 18 HB3 ALA 18 -3.492 2.287 6.210 124 H ASP 19 HN ASP 19 -4.292 2.629 3.082 125 HA ASP 19 HA ASP 19 -6.485 1.113 3.818 126 1HB ASP 19 HB2 ASP 19 -5.839 3.005 1.732 127 2HB ASP 19 HB1 ASP 19 -6.877 1.729 1.103 128 H LEU 20 HN LEU 20 -4.120 0.497 1.262 129 HA LEU 20 HA LEU 20 -5.437 -1.813 0.246 130 1HB LEU 20 HB2 LEU 20 -2.507 -1.191 -0.014 131 2HB LEU 20 HB1 LEU 20 -3.500 -2.155 -1.090 132 HG LEU 20 HG LEU 20 -3.442 0.832 -0.784 133 1HD1 LEU 20 HD11 LEU 20 -1.878 0.092 -2.363 134 2HD1 LEU 20 HD12 LEU 20 -3.277 0.591 -3.314 135 3HD1 LEU 20 HD13 LEU 20 -2.979 -1.121 -3.015 136 1HD2 LEU 20 HD21 LEU 20 -5.513 -0.731 -2.320 137 2HD2 LEU 20 HD22 LEU 20 -5.390 1.022 -2.171 138 3HD2 LEU 20 HD23 LEU 20 -5.804 0.044 -0.763 139 H GLN 21 HN GLN 21 -2.563 -1.392 2.309 140 HA GLN 21 HA GLN 21 -1.910 -4.027 2.739 141 1HB GLN 21 HB2 GLN 21 -0.805 -1.836 3.605 142 2HB GLN 21 HB1 GLN 21 -1.834 -2.068 5.011 143 1HG GLN 21 HG2 GLN 21 -0.435 -4.495 4.305 144 2HG GLN 21 HG1 GLN 21 0.675 -3.155 4.584 145 1HE2 GLN 21 HE21 GLN 21 1.488 -3.924 6.490 146 2HE2 GLN 21 HE22 GLN 21 0.562 -4.028 7.944 147 H ALA 22 HN ALA 22 -4.470 -2.148 4.239 148 HA ALA 22 HA ALA 22 -5.147 -4.075 6.221 149 1HB ALA 22 HB1 ALA 22 -7.266 -2.263 5.268 150 2HB ALA 22 HB2 ALA 22 -5.795 -1.488 5.855 151 3HB ALA 22 HB3 ALA 22 -6.695 -2.583 6.906 152 H LYS 23 HN LYS 23 -6.190 -3.465 2.924 153 HA LYS 23 HA LYS 23 -8.408 -5.220 2.923 154 1HB LYS 23 HB2 LYS 23 -6.711 -3.990 0.778 155 2HB LYS 23 HB1 LYS 23 -7.918 -5.200 0.366 156 1HG LYS 23 HG2 LYS 23 -9.674 -3.830 0.886 157 2HG LYS 23 HG1 LYS 23 -8.736 -2.884 2.043 158 1HD LYS 23 HD2 LYS 23 -7.411 -2.045 0.036 159 2HD LYS 23 HD1 LYS 23 -8.688 -2.743 -0.960 160 1HE LYS 23 HE2 LYS 23 -9.605 -1.039 1.257 161 2HE LYS 23 HE1 LYS 23 -8.703 -0.207 -0.009 162 1HZ LYS 23 HZ1 LYS 23 -11.328 -1.448 -0.113 163 2HZ LYS 23 HZ2 LYS 23 -10.357 -1.667 -1.480 164 3HZ LYS 23 HZ3 LYS 23 -10.730 -0.105 -0.951 165 H ARG 24 HN ARG 24 -4.981 -5.679 2.318 166 HA ARG 24 HA ARG 24 -5.212 -8.310 1.250 167 1HB ARG 24 HB2 ARG 24 -3.248 -6.943 0.804 168 2HB ARG 24 HB1 ARG 24 -2.863 -6.890 2.520 169 1HG ARG 24 HG2 ARG 24 -1.851 -8.879 2.470 170 2HG ARG 24 HG1 ARG 24 -3.114 -9.601 1.470 171 1HD ARG 24 HD2 ARG 24 -1.983 -8.010 -0.354 172 2HD ARG 24 HD1 ARG 24 -0.584 -8.275 0.686 173 HE ARG 24 HE ARG 24 -1.731 -10.136 -1.123 174 1HH1 ARG 24 HH11 ARG 24 -0.175 -9.918 1.993 175 2HH1 ARG 24 HH12 ARG 24 0.450 -11.532 1.933 176 1HH2 ARG 24 HH21 ARG 24 -0.910 -12.259 -1.203 177 2HH2 ARG 24 HH22 ARG 24 0.034 -12.861 0.118 178 H THR 25 HN THR 25 -4.602 -7.009 4.480 179 HA THR 25 HA THR 25 -4.075 -9.482 5.737 180 HB THR 25 HB THR 25 -5.355 -7.363 7.348 181 HG1 THR 25 HG1 THR 25 -4.094 -5.812 6.747 182 1HG2 THR 25 HG21 THR 25 -4.233 -8.463 8.900 183 2HG2 THR 25 HG22 THR 25 -2.751 -7.803 8.205 184 3HG2 THR 25 HG23 THR 25 -3.341 -9.384 7.689 185 H ARG 26 HN ARG 26 -7.042 -7.484 5.781 186 HA ARG 26 HA ARG 26 -8.661 -9.169 7.225 187 1HB ARG 26 HB2 ARG 26 -10.578 -8.148 6.030 188 2HB ARG 26 HB1 ARG 26 -9.412 -6.964 6.599 189 1HG ARG 26 HG2 ARG 26 -8.959 -6.245 4.535 190 2HG ARG 26 HG1 ARG 26 -8.921 -7.875 3.868 191 1HD ARG 26 HD2 ARG 26 -10.799 -7.193 2.820 192 2HD ARG 26 HD1 ARG 26 -11.553 -7.637 4.350 193 HE ARG 26 HE ARG 26 -10.636 -4.914 4.259 194 1HH1 ARG 26 HH11 ARG 26 -13.277 -7.070 3.515 195 2HH1 ARG 26 HH12 ARG 26 -14.475 -5.820 3.561 196 1HH2 ARG 26 HH21 ARG 26 -12.210 -3.269 4.320 197 2HH2 ARG 26 HH22 ARG 26 -13.869 -3.663 4.018 198 H LEU 27 HN LEU 27 -7.822 -9.352 3.811 199 HA LEU 27 HA LEU 27 -9.625 -11.439 3.155 200 1HB LEU 27 HB2 LEU 27 -7.286 -10.147 1.894 201 2HB LEU 27 HB1 LEU 27 -7.589 -11.802 1.399 202 HG LEU 27 HG LEU 27 -9.975 -11.066 0.890 203 1HD1 LEU 27 HD11 LEU 27 -9.448 -8.844 2.213 204 2HD1 LEU 27 HD12 LEU 27 -10.566 -8.865 0.849 205 3HD1 LEU 27 HD13 LEU 27 -8.908 -8.307 0.622 206 1HD2 LEU 27 HD21 LEU 27 -8.087 -9.580 -0.863 207 2HD2 LEU 27 HD22 LEU 27 -9.405 -10.672 -1.288 208 3HD2 LEU 27 HD23 LEU 27 -7.879 -11.324 -0.689 209 H VAL 28 HN VAL 28 -6.317 -11.329 4.365 210 HA VAL 28 HA VAL 28 -5.759 -14.089 4.164 211 HB VAL 28 HB VAL 28 -4.674 -12.191 6.242 212 1HG1 VAL 28 HG11 VAL 28 -3.193 -14.482 5.016 213 2HG1 VAL 28 HG12 VAL 28 -4.316 -14.757 6.349 214 3HG1 VAL 28 HG13 VAL 28 -2.933 -13.683 6.568 215 1HG2 VAL 28 HG21 VAL 28 -3.577 -11.079 4.660 216 2HG2 VAL 28 HG22 VAL 28 -4.448 -12.002 3.436 217 3HG2 VAL 28 HG23 VAL 28 -2.894 -12.581 4.037 218 H GLN 29 HN GLN 29 -7.136 -12.096 6.737 219 HA GLN 29 HA GLN 29 -7.339 -13.984 8.757 220 1HB GLN 29 HB2 GLN 29 -9.163 -11.691 8.023 221 2HB GLN 29 HB1 GLN 29 -9.378 -12.651 9.481 222 1HG GLN 29 HG2 GLN 29 -6.762 -11.328 8.904 223 2HG GLN 29 HG1 GLN 29 -8.095 -10.420 9.614 224 1HE2 GLN 29 HE21 GLN 29 -5.459 -11.201 10.693 225 2HE2 GLN 29 HE22 GLN 29 -5.796 -12.040 12.165 226 H GLN 30 HN GLN 30 -9.155 -13.596 5.825 227 HA GLN 30 HA GLN 30 -11.299 -15.354 6.550 228 1HB GLN 30 HB2 GLN 30 -11.068 -13.490 4.645 229 2HB GLN 30 HB1 GLN 30 -10.609 -14.895 3.693 230 1HG GLN 30 HG2 GLN 30 -12.689 -15.854 3.850 231 2HG GLN 30 HG1 GLN 30 -13.086 -15.005 5.344 232 1HE2 GLN 30 HE21 GLN 30 -13.404 -12.653 5.155 233 2HE2 GLN 30 HE22 GLN 30 -14.158 -12.042 3.726 234 H HIS 31 HN HIS 31 -8.151 -15.687 5.046 235 HA HIS 31 HA HIS 31 -8.500 -18.597 5.125 236 1HB HIS 31 HB2 HIS 31 -7.469 -18.907 2.955 237 2HB HIS 31 HB1 HIS 31 -8.881 -17.870 2.788 238 HD1 HIS 31 HD1 HIS 31 -8.086 -15.155 3.006 239 HD2 HIS 31 HD2 HIS 31 -5.395 -17.943 1.523 240 HE1 HIS 31 HE1 HIS 31 -6.416 -13.837 1.678 241 HE2 HIS 31 HE2 HIS 31 -4.672 -15.522 1.003 242 HA PRO 32 HA PRO 32 -4.399 -17.138 6.818 243 1HB PRO 32 HB2 PRO 32 -4.785 -17.565 9.431 244 2HB PRO 32 HB1 PRO 32 -5.360 -16.089 8.646 245 1HG PRO 32 HG2 PRO 32 -6.885 -18.539 9.422 246 2HG PRO 32 HG1 PRO 32 -7.358 -16.836 9.553 247 1HD PRO 32 HD2 PRO 32 -8.156 -18.542 7.530 248 2HD PRO 32 HD1 PRO 32 -8.128 -16.774 7.406 249 H ARG 33 HN ARG 33 -6.365 -19.850 7.985 250 HA ARG 33 HA ARG 33 -3.973 -21.506 8.242 251 1HB ARG 33 HB2 ARG 33 -6.847 -21.934 9.058 252 2HB ARG 33 HB1 ARG 33 -5.614 -23.179 9.199 253 1HG ARG 33 HG2 ARG 33 -4.991 -22.361 11.154 254 2HG ARG 33 HG1 ARG 33 -4.614 -20.810 10.403 255 1HD ARG 33 HD2 ARG 33 -6.808 -19.994 10.781 256 2HD ARG 33 HD1 ARG 33 -7.401 -21.594 11.222 257 HE ARG 33 HE ARG 33 -5.495 -21.120 13.075 258 1HH1 ARG 33 HH11 ARG 33 -8.246 -19.278 11.970 259 2HH1 ARG 33 HH12 ARG 33 -8.498 -18.503 13.498 260 1HH2 ARG 33 HH21 ARG 33 -5.825 -20.102 15.085 261 2HH2 ARG 33 HH22 ARG 33 -7.124 -18.969 15.266 262 H CYS 1 HN CYS 1 -17.362 -21.998 -2.019 263 HA CYS 1 HA CYS 1 -15.691 -23.357 -3.825 264 1HB CYS 1 HB2 CYS 1 -17.291 -22.035 -5.374 265 2HB CYS 1 HB1 CYS 1 -16.381 -20.619 -4.858 266 HG CYS 1 HG CYS 1 -14.493 -21.283 -6.297 267 H GLY 2 HN GLY 2 -14.226 -23.259 -2.151 268 1HA GLY 2 HA2 GLY 2 -13.289 -20.569 -1.383 269 2HA GLY 2 HA1 GLY 2 -13.128 -22.005 -0.384 270 H GLY 3 HN GLY 3 -11.223 -23.007 -0.395 271 1HA GLY 3 HA2 GLY 3 -9.186 -23.786 -1.154 272 2HA GLY 3 HA1 GLY 3 -9.606 -23.203 -2.757 273 H ASP 4 HN ASP 4 -8.144 -21.818 -3.475 274 HA ASP 4 HA ASP 4 -6.923 -19.943 -1.557 275 1HB ASP 4 HB2 ASP 4 -5.809 -21.006 -4.153 276 2HB ASP 4 HB1 ASP 4 -5.010 -19.838 -3.105 277 H ASN 5 HN ASN 5 -9.387 -19.835 -3.445 278 HA ASN 5 HA ASN 5 -9.005 -17.995 -5.477 279 1HB ASN 5 HB2 ASN 5 -11.198 -19.221 -4.291 280 2HB ASN 5 HB1 ASN 5 -11.478 -17.506 -4.001 281 1HD2 ASN 5 HD21 ASN 5 -10.267 -16.479 -6.300 282 2HD2 ASN 5 HD22 ASN 5 -11.223 -16.927 -7.668 283 H ILE 6 HN ILE 6 -9.096 -17.570 -2.044 284 HA ILE 6 HA ILE 6 -9.305 -14.699 -2.124 285 HB ILE 6 HB ILE 6 -8.427 -16.405 0.200 286 1HG1 ILE 6 HG12 ILE 6 -11.190 -15.609 0.350 287 2HG1 ILE 6 HG11 ILE 6 -10.918 -16.504 -1.141 288 1HG2 ILE 6 HG21 ILE 6 -8.085 -13.954 0.336 289 2HG2 ILE 6 HG22 ILE 6 -9.186 -14.585 1.562 290 3HG2 ILE 6 HG23 ILE 6 -9.825 -13.739 0.153 291 1HD1 ILE 6 HD11 ILE 6 -11.546 -18.096 0.455 292 2HD1 ILE 6 HD12 ILE 6 -10.477 -17.412 1.680 293 3HD1 ILE 6 HD13 ILE 6 -9.797 -18.264 0.293 294 H GLU 7 HN GLU 7 -6.798 -17.107 -1.496 295 HA GLU 7 HA GLU 7 -4.678 -15.418 -0.880 296 1HB GLU 7 HB2 GLU 7 -4.969 -18.101 -1.069 297 2HB GLU 7 HB1 GLU 7 -4.033 -17.791 -2.526 298 1HG GLU 7 HG2 GLU 7 -2.567 -16.381 -0.824 299 2HG GLU 7 HG1 GLU 7 -3.263 -17.527 0.320 300 H GLN 8 HN GLN 8 -6.158 -16.154 -3.932 301 HA GLN 8 HA GLN 8 -4.008 -15.084 -5.521 302 1HB GLN 8 HB2 GLN 8 -5.527 -16.856 -6.366 303 2HB GLN 8 HB1 GLN 8 -6.862 -15.714 -6.301 304 1HG GLN 8 HG2 GLN 8 -5.018 -14.362 -7.798 305 2HG GLN 8 HG1 GLN 8 -4.757 -16.035 -8.292 306 1HE2 GLN 8 HE21 GLN 8 -5.905 -13.724 -9.728 307 2HE2 GLN 8 HE22 GLN 8 -7.461 -14.245 -10.267 308 H LYS 9 HN LYS 9 -7.191 -14.036 -4.426 309 HA LYS 9 HA LYS 9 -7.293 -11.587 -5.782 310 1HB LYS 9 HB2 LYS 9 -9.104 -12.865 -4.386 311 2HB LYS 9 HB1 LYS 9 -8.483 -11.903 -3.052 312 1HG LYS 9 HG2 LYS 9 -9.106 -9.879 -4.091 313 2HG LYS 9 HG1 LYS 9 -9.406 -10.681 -5.634 314 1HD LYS 9 HD2 LYS 9 -11.544 -10.874 -5.043 315 2HD LYS 9 HD1 LYS 9 -11.040 -11.992 -3.773 316 1HE LYS 9 HE2 LYS 9 -10.497 -9.624 -2.591 317 2HE LYS 9 HE1 LYS 9 -11.867 -9.168 -3.603 318 1HZ LYS 9 HZ1 LYS 9 -13.277 -10.565 -2.485 319 2HZ LYS 9 HZ2 LYS 9 -12.257 -10.085 -1.224 320 3HZ LYS 9 HZ3 LYS 9 -12.043 -11.595 -1.956 321 H ILE 10 HN ILE 10 -5.820 -12.504 -2.717 322 HA ILE 10 HA ILE 10 -5.223 -9.844 -1.900 323 HB ILE 10 HB ILE 10 -3.541 -10.936 -0.383 324 1HG1 ILE 10 HG12 ILE 10 -4.815 -13.504 -1.341 325 2HG1 ILE 10 HG11 ILE 10 -3.211 -12.959 -1.825 326 1HG2 ILE 10 HG21 ILE 10 -6.139 -10.535 -0.060 327 2HG2 ILE 10 HG22 ILE 10 -5.151 -11.319 1.173 328 3HG2 ILE 10 HG23 ILE 10 -6.133 -12.293 0.079 329 1HD1 ILE 10 HD11 ILE 10 -3.055 -14.592 -0.058 330 2HD1 ILE 10 HD12 ILE 10 -4.098 -13.610 0.972 331 3HD1 ILE 10 HD13 ILE 10 -2.500 -13.018 0.516 332 H ASP 11 HN ASP 11 -3.372 -12.357 -3.593 333 HA ASP 11 HA ASP 11 -0.885 -11.182 -3.683 334 1HB ASP 11 HB2 ASP 11 -2.394 -12.956 -5.554 335 2HB ASP 11 HB1 ASP 11 -0.899 -12.226 -6.131 336 H ASP 12 HN ASP 12 -3.779 -10.406 -5.466 337 HA ASP 12 HA ASP 12 -2.591 -8.604 -7.320 338 1HB ASP 12 HB2 ASP 12 -5.417 -8.941 -6.308 339 2HB ASP 12 HB1 ASP 12 -4.981 -7.717 -7.497 340 H ILE 13 HN ILE 13 -4.233 -8.195 -4.212 341 HA ILE 13 HA ILE 13 -4.033 -5.398 -4.056 342 HB ILE 13 HB ILE 13 -3.997 -7.330 -1.733 343 1HG1 ILE 13 HG12 ILE 13 -6.346 -6.125 -3.213 344 2HG1 ILE 13 HG11 ILE 13 -5.879 -7.823 -3.220 345 1HG2 ILE 13 HG21 ILE 13 -5.401 -4.781 -1.463 346 2HG2 ILE 13 HG22 ILE 13 -3.663 -4.617 -1.715 347 3HG2 ILE 13 HG23 ILE 13 -4.271 -5.578 -0.367 348 1HD1 ILE 13 HD11 ILE 13 -6.533 -8.123 -0.994 349 2HD1 ILE 13 HD12 ILE 13 -7.810 -7.148 -1.722 350 3HD1 ILE 13 HD13 ILE 13 -6.599 -6.387 -0.691 351 H ASP 14 HN ASP 14 -1.903 -7.968 -2.825 352 HA ASP 14 HA ASP 14 -0.014 -6.486 -1.497 353 1HB ASP 14 HB2 ASP 14 -0.231 -9.093 -2.097 354 2HB ASP 14 HB1 ASP 14 1.024 -8.649 -3.250 355 H HIS 15 HN HIS 15 -0.472 -6.826 -4.950 356 HA HIS 15 HA HIS 15 2.025 -5.605 -5.661 357 1HB HIS 15 HB2 HIS 15 0.648 -7.194 -7.107 358 2HB HIS 15 HB1 HIS 15 -0.423 -5.830 -7.409 359 HD1 HIS 15 HD1 HIS 15 3.181 -5.042 -7.200 360 HD2 HIS 15 HD2 HIS 15 0.397 -5.974 -10.141 361 HE1 HIS 15 HE1 HIS 15 4.274 -4.427 -9.380 362 HE2 HIS 15 HE2 HIS 15 2.605 -5.082 -11.150 363 H GLU 16 HN GLU 16 -1.198 -4.532 -4.938 364 HA GLU 16 HA GLU 16 -0.769 -1.879 -5.998 365 1HB GLU 16 HB2 GLU 16 -3.032 -2.728 -4.202 366 2HB GLU 16 HB1 GLU 16 -3.009 -1.420 -5.379 367 1HG GLU 16 HG2 GLU 16 -2.652 -4.245 -6.276 368 2HG GLU 16 HG1 GLU 16 -4.262 -3.624 -5.915 369 H ILE 17 HN ILE 17 -0.713 -3.506 -2.904 370 HA ILE 17 HA ILE 17 -0.664 -1.237 -1.234 371 HB ILE 17 HB ILE 17 0.653 -3.894 -0.672 372 1HG1 ILE 17 HG12 ILE 17 -2.126 -3.235 0.206 373 2HG1 ILE 17 HG11 ILE 17 -1.873 -3.805 -1.439 374 1HG2 ILE 17 HG21 ILE 17 1.266 -2.748 1.159 375 2HG2 ILE 17 HG22 ILE 17 -0.403 -3.012 1.666 376 3HG2 ILE 17 HG23 ILE 17 0.055 -1.490 0.901 377 1HD1 ILE 17 HD11 ILE 17 -0.443 -5.541 0.243 378 2HD1 ILE 17 HD12 ILE 17 -1.909 -5.875 -0.677 379 3HD1 ILE 17 HD13 ILE 17 -2.023 -5.294 0.985 380 H ALA 18 HN ALA 18 1.813 -2.967 -3.004 381 HA ALA 18 HA ALA 18 4.012 -1.608 -1.748 382 1HB ALA 18 HB1 ALA 18 5.111 -2.670 -3.966 383 2HB ALA 18 HB2 ALA 18 3.674 -3.682 -3.813 384 3HB ALA 18 HB3 ALA 18 4.826 -3.579 -2.481 385 H ASP 19 HN ASP 19 2.166 -1.273 -4.734 386 HA ASP 19 HA ASP 19 3.782 0.503 -6.121 387 1HB ASP 19 HB2 ASP 19 1.374 -0.610 -6.607 388 2HB ASP 19 HB1 ASP 19 0.864 1.029 -6.211 389 H LEU 20 HN LEU 20 1.292 1.196 -3.691 390 HA LEU 20 HA LEU 20 1.555 4.011 -3.797 391 1HB LEU 20 HB2 LEU 20 0.689 2.490 -1.359 392 2HB LEU 20 HB1 LEU 20 0.183 4.083 -1.886 393 HG LEU 20 HG LEU 20 -0.619 1.422 -3.040 394 1HD1 LEU 20 HD11 LEU 20 -1.923 1.993 -1.153 395 2HD1 LEU 20 HD12 LEU 20 -2.898 2.382 -2.570 396 3HD1 LEU 20 HD13 LEU 20 -2.081 3.667 -1.681 397 1HD2 LEU 20 HD21 LEU 20 -1.786 2.550 -4.787 398 2HD2 LEU 20 HD22 LEU 20 -0.109 3.098 -4.829 399 3HD2 LEU 20 HD23 LEU 20 -1.358 4.130 -4.132 400 H GLN 21 HN GLN 21 2.891 1.588 -1.562 401 HA GLN 21 HA GLN 21 4.257 3.237 0.164 402 1HB GLN 21 HB2 GLN 21 4.055 0.563 -0.116 403 2HB GLN 21 HB1 GLN 21 5.704 0.797 -0.682 404 1HG GLN 21 HG2 GLN 21 6.409 1.659 1.373 405 2HG GLN 21 HG1 GLN 21 4.757 1.943 1.919 406 1HE2 GLN 21 HE21 GLN 21 3.403 -0.104 2.021 407 2HE2 GLN 21 HE22 GLN 21 4.163 -1.489 2.721 408 H ALA 22 HN ALA 22 5.299 2.055 -2.997 409 HA ALA 22 HA ALA 22 7.921 3.014 -2.962 410 1HB ALA 22 HB1 ALA 22 6.517 3.136 -5.548 411 2HB ALA 22 HB2 ALA 22 6.475 1.580 -4.720 412 3HB ALA 22 HB3 ALA 22 8.023 2.331 -5.108 413 H LYS 23 HN LYS 23 4.928 4.579 -4.013 414 HA LYS 23 HA LYS 23 6.052 6.945 -4.993 415 1HB LYS 23 HB2 LYS 23 3.351 6.285 -3.853 416 2HB LYS 23 HB1 LYS 23 3.745 7.920 -4.365 417 1HG LYS 23 HG2 LYS 23 3.695 7.394 -6.562 418 2HG LYS 23 HG1 LYS 23 4.309 5.761 -6.300 419 1HD LYS 23 HD2 LYS 23 2.085 5.155 -5.347 420 2HD LYS 23 HD1 LYS 23 1.502 6.753 -5.813 421 1HE LYS 23 HE2 LYS 23 2.826 5.108 -7.897 422 2HE LYS 23 HE1 LYS 23 1.214 4.620 -7.375 423 1HZ LYS 23 HZ1 LYS 23 0.599 6.082 -8.953 424 2HZ LYS 23 HZ2 LYS 23 2.046 6.954 -8.890 425 3HZ LYS 23 HZ3 LYS 23 0.846 7.227 -7.731 426 H ARG 24 HN ARG 24 4.951 6.097 -1.740 427 HA ARG 24 HA ARG 24 5.429 8.651 -0.600 428 1HB ARG 24 HB2 ARG 24 3.938 7.013 0.444 429 2HB ARG 24 HB1 ARG 24 5.298 5.931 0.716 430 1HG ARG 24 HG2 ARG 24 6.020 7.072 2.516 431 2HG ARG 24 HG1 ARG 24 5.592 8.639 1.828 432 1HD ARG 24 HD2 ARG 24 3.174 7.263 2.276 433 2HD ARG 24 HD1 ARG 24 4.158 7.038 3.722 434 HE ARG 24 HE ARG 24 2.954 9.479 2.802 435 1HH1 ARG 24 HH11 ARG 24 5.521 8.105 4.726 436 2HH1 ARG 24 HH12 ARG 24 5.692 9.507 5.726 437 1HH2 ARG 24 HH21 ARG 24 3.177 11.325 4.119 438 2HH2 ARG 24 HH22 ARG 24 4.361 11.336 5.383 439 H THR 25 HN THR 25 7.378 5.711 -0.867 440 HA THR 25 HA THR 25 9.510 6.511 0.767 441 HB THR 25 HB THR 25 9.886 4.801 -1.671 442 HG1 THR 25 HG1 THR 25 8.544 3.390 -0.930 443 1HG2 THR 25 HG21 THR 25 10.876 3.849 0.888 444 2HG2 THR 25 HG22 THR 25 11.574 5.394 0.400 445 3HG2 THR 25 HG23 THR 25 11.696 3.995 -0.667 446 H ARG 26 HN ARG 26 9.225 6.666 -2.790 447 HA ARG 26 HA ARG 26 11.629 7.877 -3.363 448 1HB ARG 26 HB2 ARG 26 10.505 8.825 -5.372 449 2HB ARG 26 HB1 ARG 26 10.194 7.111 -5.134 450 1HG ARG 26 HG2 ARG 26 7.991 7.477 -4.479 451 2HG ARG 26 HG1 ARG 26 8.278 9.183 -4.142 452 1HD ARG 26 HD2 ARG 26 8.361 7.926 -6.881 453 2HD ARG 26 HD1 ARG 26 6.984 8.799 -6.216 454 HE ARG 26 HE ARG 26 8.150 10.801 -6.452 455 1HH1 ARG 26 HH11 ARG 26 10.136 8.086 -7.405 456 2HH1 ARG 26 HH12 ARG 26 11.299 9.070 -8.223 457 1HH2 ARG 26 HH21 ARG 26 9.684 12.089 -7.528 458 2HH2 ARG 26 HH22 ARG 26 11.046 11.339 -8.293 459 H LEU 27 HN LEU 27 8.663 9.353 -2.193 460 HA LEU 27 HA LEU 27 9.670 12.053 -2.389 461 1HB LEU 27 HB2 LEU 27 7.191 10.737 -1.398 462 2HB LEU 27 HB1 LEU 27 7.576 12.327 -0.770 463 HG LEU 27 HG LEU 27 7.561 13.263 -3.012 464 1HD1 LEU 27 HD11 LEU 27 8.414 11.227 -4.147 465 2HD1 LEU 27 HD12 LEU 27 7.043 11.982 -4.960 466 3HD1 LEU 27 HD13 LEU 27 6.803 10.524 -3.998 467 1HD2 LEU 27 HD21 LEU 27 5.137 12.659 -3.616 468 2HD2 LEU 27 HD22 LEU 27 5.448 13.398 -2.046 469 3HD2 LEU 27 HD23 LEU 27 5.178 11.659 -2.164 470 H VAL 28 HN VAL 28 9.505 9.530 0.047 471 HA VAL 28 HA VAL 28 10.129 11.185 2.275 472 HB VAL 28 HB VAL 28 10.533 8.218 1.893 473 1HG1 VAL 28 HG11 VAL 28 10.703 9.872 4.411 474 2HG1 VAL 28 HG12 VAL 28 12.040 9.047 3.608 475 3HG1 VAL 28 HG13 VAL 28 10.738 8.110 4.341 476 1HG2 VAL 28 HG21 VAL 28 8.189 9.666 2.159 477 2HG2 VAL 28 HG22 VAL 28 8.508 9.072 3.788 478 3HG2 VAL 28 HG23 VAL 28 8.389 7.937 2.443 479 H GLN 29 HN GLN 29 12.124 8.897 0.413 480 HA GLN 29 HA GLN 29 14.580 9.457 1.567 481 1HB GLN 29 HB2 GLN 29 13.761 7.807 -0.416 482 2HB GLN 29 HB1 GLN 29 14.591 9.032 -1.366 483 1HG GLN 29 HG2 GLN 29 16.309 7.596 -0.982 484 2HG GLN 29 HG1 GLN 29 16.486 8.660 0.412 485 1HE2 GLN 29 HE21 GLN 29 16.752 7.672 2.272 486 2HE2 GLN 29 HE22 GLN 29 16.200 6.086 2.676 487 H GLN 30 HN GLN 30 12.791 11.157 -0.912 488 HA GLN 30 HA GLN 30 14.869 12.999 -1.586 489 1HB GLN 30 HB2 GLN 30 12.847 12.380 -3.010 490 2HB GLN 30 HB1 GLN 30 11.903 13.418 -1.948 491 1HG GLN 30 HG2 GLN 30 12.446 14.704 -3.846 492 2HG GLN 30 HG1 GLN 30 13.477 15.280 -2.537 493 1HE2 GLN 30 HE21 GLN 30 14.203 15.910 -5.024 494 2HE2 GLN 30 HE22 GLN 30 15.575 14.991 -5.528 495 H HIS 31 HN HIS 31 12.428 12.775 0.858 496 HA HIS 31 HA HIS 31 12.988 15.520 1.746 497 1HB HIS 31 HB2 HIS 31 10.638 13.695 2.082 498 2HB HIS 31 HB1 HIS 31 10.924 14.970 3.264 499 HD1 HIS 31 HD1 HIS 31 11.528 15.315 -0.430 500 HD2 HIS 31 HD2 HIS 31 8.890 16.653 2.485 501 HE1 HIS 31 HE1 HIS 31 10.146 17.082 -1.540 502 HE2 HIS 31 HE2 HIS 31 8.630 17.964 0.269 503 HA PRO 32 HA PRO 32 15.074 12.537 4.777 504 1HB PRO 32 HB2 PRO 32 17.490 13.807 4.778 505 2HB PRO 32 HB1 PRO 32 17.083 12.488 3.674 506 1HG PRO 32 HG2 PRO 32 17.043 15.443 3.193 507 2HG PRO 32 HG1 PRO 32 17.640 14.146 2.140 508 1HD PRO 32 HD2 PRO 32 15.236 15.297 1.759 509 2HD PRO 32 HD1 PRO 32 15.517 13.576 1.427 510 H ARG 33 HN ARG 33 15.067 16.036 4.412 511 HA ARG 33 HA ARG 33 14.080 16.526 6.986 512 1HB ARG 33 HB2 ARG 33 16.056 17.582 8.029 513 2HB ARG 33 HB1 ARG 33 16.268 15.853 7.785 514 1HG ARG 33 HG2 ARG 33 17.238 17.545 5.589 515 2HG ARG 33 HG1 ARG 33 18.092 17.733 7.121 516 1HD ARG 33 HD2 ARG 33 17.573 14.949 6.413 517 2HD ARG 33 HD1 ARG 33 18.580 15.795 5.238 518 HE ARG 33 HE ARG 33 19.423 16.206 7.946 519 1HH1 ARG 33 HH11 ARG 33 19.621 14.053 5.207 520 2HH1 ARG 33 HH12 ARG 33 21.134 13.368 5.696 521 1HH2 ARG 33 HH21 ARG 33 21.414 15.306 8.591 522 2HH2 ARG 33 HH22 ARG 33 22.151 14.078 7.617 Start of MODEL 48 1 H CYS 1 HT1 CYS 1 12.567 23.826 -4.496 2 HA CYS 1 HA CYS 1 12.425 21.938 -3.058 3 1HB CYS 1 HB2 CYS 1 13.343 23.998 -1.118 4 2HB CYS 1 HB1 CYS 1 12.195 22.803 -0.526 5 HG CYS 1 HG CYS 1 14.183 21.109 -1.648 6 H GLY 2 HN GLY 2 11.225 25.092 -1.876 7 1HA GLY 2 HA2 GLY 2 9.040 25.924 -2.270 8 2HA GLY 2 HA1 GLY 2 8.520 24.294 -2.671 9 H GLY 3 HN GLY 3 9.791 23.131 -0.291 10 1HA GLY 3 HA2 GLY 3 9.493 23.631 2.150 11 2HA GLY 3 HA1 GLY 3 7.862 24.119 1.717 12 H ASP 4 HN ASP 4 6.372 22.663 2.195 13 HA ASP 4 HA ASP 4 7.150 19.825 2.261 14 1HB ASP 4 HB2 ASP 4 4.888 21.243 3.668 15 2HB ASP 4 HB1 ASP 4 5.225 19.518 3.773 16 H ASN 5 HN ASN 5 6.022 21.657 0.026 17 HA ASN 5 HA ASN 5 3.456 20.900 -0.686 18 1HB ASN 5 HB2 ASN 5 5.848 21.856 -2.166 19 2HB ASN 5 HB1 ASN 5 4.584 21.090 -3.124 20 1HD2 ASN 5 HD21 ASN 5 2.297 21.872 -2.156 21 2HD2 ASN 5 HD22 ASN 5 2.137 23.592 -2.138 22 H ILE 6 HN ILE 6 6.442 19.159 -0.835 23 HA ILE 6 HA ILE 6 5.443 17.040 -2.514 24 HB ILE 6 HB ILE 6 7.912 16.994 -0.788 25 1HG1 ILE 6 HG12 ILE 6 7.757 17.915 -3.663 26 2HG1 ILE 6 HG11 ILE 6 7.792 19.021 -2.293 27 1HG2 ILE 6 HG21 ILE 6 8.716 15.354 -2.340 28 2HG2 ILE 6 HG22 ILE 6 7.309 15.583 -3.378 29 3HG2 ILE 6 HG23 ILE 6 7.116 14.866 -1.779 30 1HD1 ILE 6 HD11 ILE 6 9.963 17.902 -3.662 31 2HD1 ILE 6 HD12 ILE 6 9.941 17.151 -2.067 32 3HD1 ILE 6 HD13 ILE 6 9.996 18.907 -2.214 33 H GLU 7 HN GLU 7 6.212 17.517 0.901 34 HA GLU 7 HA GLU 7 5.662 14.965 1.856 35 1HB GLU 7 HB2 GLU 7 6.497 17.264 2.997 36 2HB GLU 7 HB1 GLU 7 4.835 17.232 3.571 37 1HG GLU 7 HG2 GLU 7 5.265 14.914 4.411 38 2HG GLU 7 HG1 GLU 7 6.964 15.157 4.010 39 H GLN 8 HN GLN 8 3.522 17.430 0.741 40 HA GLN 8 HA GLN 8 1.177 16.406 2.048 41 1HB GLN 8 HB2 GLN 8 1.522 18.803 1.287 42 2HB GLN 8 HB1 GLN 8 1.279 18.227 -0.356 43 1HG GLN 8 HG2 GLN 8 -0.809 17.417 1.527 44 2HG GLN 8 HG1 GLN 8 -0.677 19.158 1.280 45 1HE2 GLN 8 HE21 GLN 8 -0.319 19.688 -1.160 46 2HE2 GLN 8 HE22 GLN 8 -1.439 18.924 -2.232 47 H LYS 9 HN LYS 9 2.636 16.187 -1.152 48 HA LYS 9 HA LYS 9 0.577 14.781 -2.433 49 1HB LYS 9 HB2 LYS 9 2.913 15.841 -3.256 50 2HB LYS 9 HB1 LYS 9 3.368 14.143 -3.198 51 1HG LYS 9 HG2 LYS 9 2.308 13.723 -5.097 52 2HG LYS 9 HG1 LYS 9 0.820 14.455 -4.494 53 1HD LYS 9 HD2 LYS 9 1.185 15.955 -6.136 54 2HD LYS 9 HD1 LYS 9 2.311 16.663 -4.977 55 1HE LYS 9 HE2 LYS 9 3.101 14.575 -6.998 56 2HE LYS 9 HE1 LYS 9 3.217 16.308 -7.301 57 1HZ LYS 9 HZ1 LYS 9 5.221 14.927 -6.326 58 2HZ LYS 9 HZ2 LYS 9 4.452 15.280 -4.861 59 3HZ LYS 9 HZ3 LYS 9 4.950 16.536 -5.878 60 H ILE 10 HN ILE 10 3.317 13.681 -0.503 61 HA ILE 10 HA ILE 10 2.930 10.913 -1.005 62 HB ILE 10 HB ILE 10 4.271 10.585 1.094 63 1HG1 ILE 10 HG12 ILE 10 4.624 13.582 0.961 64 2HG1 ILE 10 HG11 ILE 10 3.609 12.757 2.142 65 1HG2 ILE 10 HG21 ILE 10 5.627 10.414 -0.712 66 2HG2 ILE 10 HG22 ILE 10 6.307 11.890 -0.026 67 3HG2 ILE 10 HG23 ILE 10 5.150 11.986 -1.354 68 1HD1 ILE 10 HD11 ILE 10 5.799 13.362 3.043 69 2HD1 ILE 10 HD12 ILE 10 6.569 12.349 1.821 70 3HD1 ILE 10 HD13 ILE 10 5.534 11.619 3.048 71 H ASP 11 HN ASP 11 1.852 13.084 1.591 72 HA ASP 11 HA ASP 11 0.732 11.265 3.332 73 1HB ASP 11 HB2 ASP 11 0.223 14.100 2.651 74 2HB ASP 11 HB1 ASP 11 -1.098 13.268 3.465 75 H ASP 12 HN ASP 12 -0.449 12.437 0.267 76 HA ASP 12 HA ASP 12 -3.071 11.354 0.446 77 1HB ASP 12 HB2 ASP 12 -2.234 13.114 -1.211 78 2HB ASP 12 HB1 ASP 12 -1.522 11.779 -2.112 79 H ILE 13 HN ILE 13 -0.040 10.217 -0.966 80 HA ILE 13 HA ILE 13 -0.981 7.762 -1.950 81 HB ILE 13 HB ILE 13 1.796 8.341 -0.911 82 1HG1 ILE 13 HG12 ILE 13 0.569 8.856 -3.625 83 2HG1 ILE 13 HG11 ILE 13 1.191 10.057 -2.499 84 1HG2 ILE 13 HG21 ILE 13 0.727 5.965 -1.770 85 2HG2 ILE 13 HG22 ILE 13 2.442 6.377 -1.766 86 3HG2 ILE 13 HG23 ILE 13 1.486 6.598 -3.231 87 1HD1 ILE 13 HD11 ILE 13 3.423 8.733 -2.788 88 2HD1 ILE 13 HD12 ILE 13 2.910 9.912 -3.996 89 3HD1 ILE 13 HD13 ILE 13 2.661 8.191 -4.283 90 H ASP 14 HN ASP 14 0.483 8.645 1.166 91 HA ASP 14 HA ASP 14 0.672 6.185 2.376 92 1HB ASP 14 HB2 ASP 14 1.077 8.712 3.215 93 2HB ASP 14 HB1 ASP 14 -0.424 8.363 4.065 94 H HIS 15 HN HIS 15 -2.194 8.097 1.767 95 HA HIS 15 HA HIS 15 -3.913 6.513 3.429 96 1HB HIS 15 HB2 HIS 15 -4.313 8.928 2.738 97 2HB HIS 15 HB1 HIS 15 -4.750 8.306 1.149 98 HD1 HIS 15 HD1 HIS 15 -6.035 5.809 3.193 99 HD2 HIS 15 HD2 HIS 15 -7.173 9.745 2.498 100 HE1 HIS 15 HE1 HIS 15 -8.450 5.941 3.877 101 HE2 HIS 15 HE2 HIS 15 -9.092 8.353 3.531 102 H GLU 16 HN GLU 16 -2.792 6.429 0.140 103 HA GLU 16 HA GLU 16 -4.781 4.506 -0.696 104 1HB GLU 16 HB2 GLU 16 -2.285 5.238 -2.210 105 2HB GLU 16 HB1 GLU 16 -3.812 4.642 -2.849 106 1HG GLU 16 HG2 GLU 16 -3.650 7.276 -1.436 107 2HG GLU 16 HG1 GLU 16 -3.235 7.123 -3.143 108 H ILE 17 HN ILE 17 -1.447 4.534 0.352 109 HA ILE 17 HA ILE 17 -0.749 1.911 -0.416 110 HB ILE 17 HB ILE 17 0.359 3.430 1.946 111 1HG1 ILE 17 HG12 ILE 17 1.627 3.486 -0.758 112 2HG1 ILE 17 HG11 ILE 17 0.276 4.566 -0.441 113 1HG2 ILE 17 HG21 ILE 17 1.472 1.497 2.172 114 2HG2 ILE 17 HG22 ILE 17 2.418 2.069 0.798 115 3HG2 ILE 17 HG23 ILE 17 1.070 0.961 0.541 116 1HD1 ILE 17 HD11 ILE 17 2.177 4.689 1.704 117 2HD1 ILE 17 HD12 ILE 17 1.591 5.970 0.644 118 3HD1 ILE 17 HD13 ILE 17 2.964 4.981 0.154 119 H ALA 18 HN ALA 18 -2.362 3.250 2.390 120 HA ALA 18 HA ALA 18 -2.275 0.810 3.909 121 1HB ALA 18 HB1 ALA 18 -2.509 2.391 5.472 122 2HB ALA 18 HB2 ALA 18 -4.227 2.344 5.075 123 3HB ALA 18 HB3 ALA 18 -3.181 3.552 4.327 124 H ASP 19 HN ASP 19 -4.596 2.452 1.826 125 HA ASP 19 HA ASP 19 -6.895 1.013 2.404 126 1HB ASP 19 HB2 ASP 19 -6.306 2.974 0.649 127 2HB ASP 19 HB1 ASP 19 -6.402 1.608 -0.459 128 H LEU 20 HN LEU 20 -4.307 0.240 0.103 129 HA LEU 20 HA LEU 20 -5.463 -2.157 -0.848 130 1HB LEU 20 HB2 LEU 20 -2.509 -1.645 -0.738 131 2HB LEU 20 HB1 LEU 20 -3.411 -2.574 -1.920 132 HG LEU 20 HG LEU 20 -3.285 0.418 -1.642 133 1HD1 LEU 20 HD11 LEU 20 -1.448 -0.424 -2.861 134 2HD1 LEU 20 HD12 LEU 20 -2.595 0.185 -4.054 135 3HD1 LEU 20 HD13 LEU 20 -2.466 -1.549 -3.759 136 1HD2 LEU 20 HD21 LEU 20 -5.619 -0.391 -2.076 137 2HD2 LEU 20 HD22 LEU 20 -5.019 -1.110 -3.570 138 3HD2 LEU 20 HD23 LEU 20 -4.940 0.636 -3.340 139 H GLN 21 HN GLN 21 -2.947 -1.549 1.588 140 HA GLN 21 HA GLN 21 -2.375 -4.146 2.313 141 1HB GLN 21 HB2 GLN 21 -1.565 -1.723 3.186 142 2HB GLN 21 HB1 GLN 21 -2.572 -2.209 4.542 143 1HG GLN 21 HG2 GLN 21 -1.193 -4.440 4.332 144 2HG GLN 21 HG1 GLN 21 -0.025 -3.372 3.553 145 1HE2 GLN 21 HE21 GLN 21 1.164 -4.210 5.523 146 2HE2 GLN 21 HE22 GLN 21 1.061 -3.245 6.952 147 H ALA 22 HN ALA 22 -5.002 -2.079 3.457 148 HA ALA 22 HA ALA 22 -6.011 -3.712 5.472 149 1HB ALA 22 HB1 ALA 22 -6.692 -1.297 4.500 150 2HB ALA 22 HB2 ALA 22 -7.713 -2.236 5.590 151 3HB ALA 22 HB3 ALA 22 -8.009 -2.276 3.851 152 H LYS 23 HN LYS 23 -6.773 -3.671 2.013 153 HA LYS 23 HA LYS 23 -8.775 -5.633 2.062 154 1HB LYS 23 HB2 LYS 23 -6.877 -4.738 -0.100 155 2HB LYS 23 HB1 LYS 23 -8.106 -5.965 -0.380 156 1HG LYS 23 HG2 LYS 23 -9.774 -4.467 -0.448 157 2HG LYS 23 HG1 LYS 23 -9.090 -3.492 0.855 158 1HD LYS 23 HD2 LYS 23 -9.071 -2.200 -1.174 159 2HD LYS 23 HD1 LYS 23 -7.410 -2.617 -0.749 160 1HE LYS 23 HE2 LYS 23 -7.473 -3.055 -3.022 161 2HE LYS 23 HE1 LYS 23 -7.773 -4.643 -2.317 162 1HZ LYS 23 HZ1 LYS 23 -9.459 -4.591 -3.801 163 2HZ LYS 23 HZ2 LYS 23 -9.570 -2.904 -3.814 164 3HZ LYS 23 HZ3 LYS 23 -10.255 -3.785 -2.543 165 H ARG 24 HN ARG 24 -5.272 -5.885 1.730 166 HA ARG 24 HA ARG 24 -5.241 -8.687 1.235 167 1HB ARG 24 HB2 ARG 24 -3.364 -7.271 0.595 168 2HB ARG 24 HB1 ARG 24 -3.080 -6.846 2.279 169 1HG ARG 24 HG2 ARG 24 -2.006 -8.771 2.725 170 2HG ARG 24 HG1 ARG 24 -3.055 -9.727 1.676 171 1HD ARG 24 HD2 ARG 24 -1.649 -8.058 -0.054 172 2HD ARG 24 HD1 ARG 24 -0.457 -8.572 1.139 173 HE ARG 24 HE ARG 24 -1.721 -10.198 -0.865 174 1HH1 ARG 24 HH11 ARG 24 -0.107 -10.208 2.230 175 2HH1 ARG 24 HH12 ARG 24 0.406 -11.856 2.098 176 1HH2 ARG 24 HH21 ARG 24 -1.047 -12.368 -1.040 177 2HH2 ARG 24 HH22 ARG 24 -0.128 -13.083 0.243 178 H THR 25 HN THR 25 -4.911 -6.706 4.146 179 HA THR 25 HA THR 25 -4.233 -8.756 5.932 180 HB THR 25 HB THR 25 -5.931 -6.434 6.764 181 HG1 THR 25 HG1 THR 25 -4.199 -5.082 6.599 182 1HG2 THR 25 HG21 THR 25 -3.446 -7.554 8.024 183 2HG2 THR 25 HG22 THR 25 -5.082 -8.060 8.450 184 3HG2 THR 25 HG23 THR 25 -4.579 -6.390 8.712 185 H ARG 26 HN ARG 26 -7.433 -7.323 5.251 186 HA ARG 26 HA ARG 26 -8.970 -8.863 6.936 187 1HB ARG 26 HB2 ARG 26 -10.834 -8.502 5.322 188 2HB ARG 26 HB1 ARG 26 -9.953 -7.034 5.722 189 1HG ARG 26 HG2 ARG 26 -8.812 -7.062 3.630 190 2HG ARG 26 HG1 ARG 26 -9.448 -8.661 3.245 191 1HD ARG 26 HD2 ARG 26 -11.295 -6.361 3.768 192 2HD ARG 26 HD1 ARG 26 -10.550 -6.573 2.185 193 HE ARG 26 HE ARG 26 -11.833 -8.479 1.845 194 1HH1 ARG 26 HH11 ARG 26 -12.339 -7.222 5.068 195 2HH1 ARG 26 HH12 ARG 26 -13.756 -8.174 5.346 196 1HH2 ARG 26 HH21 ARG 26 -13.695 -9.728 2.219 197 2HH2 ARG 26 HH22 ARG 26 -14.525 -9.597 3.734 198 H LEU 27 HN LEU 27 -7.764 -9.671 3.725 199 HA LEU 27 HA LEU 27 -9.113 -12.199 3.577 200 1HB LEU 27 HB2 LEU 27 -7.084 -10.734 1.981 201 2HB LEU 27 HB1 LEU 27 -7.128 -12.477 1.802 202 HG LEU 27 HG LEU 27 -9.459 -12.387 1.103 203 1HD1 LEU 27 HD11 LEU 27 -10.638 -10.310 0.811 204 2HD1 LEU 27 HD12 LEU 27 -9.235 -9.394 1.362 205 3HD1 LEU 27 HD13 LEU 27 -10.099 -10.445 2.486 206 1HD2 LEU 27 HD21 LEU 27 -7.676 -12.111 -0.583 207 2HD2 LEU 27 HD22 LEU 27 -7.813 -10.362 -0.407 208 3HD2 LEU 27 HD23 LEU 27 -9.173 -11.294 -1.031 209 H VAL 28 HN VAL 28 -6.000 -11.072 4.754 210 HA VAL 28 HA VAL 28 -4.800 -13.642 4.983 211 HB VAL 28 HB VAL 28 -4.177 -11.134 6.547 212 1HG1 VAL 28 HG11 VAL 28 -2.559 -12.248 7.600 213 2HG1 VAL 28 HG12 VAL 28 -1.981 -12.969 6.098 214 3HG1 VAL 28 HG13 VAL 28 -3.296 -13.732 6.995 215 1HG2 VAL 28 HG21 VAL 28 -3.137 -10.328 4.752 216 2HG2 VAL 28 HG22 VAL 28 -3.872 -11.627 3.813 217 3HG2 VAL 28 HG23 VAL 28 -2.266 -11.842 4.509 218 H GLN 29 HN GLN 29 -6.336 -11.494 7.369 219 HA GLN 29 HA GLN 29 -6.179 -13.148 9.591 220 1HB GLN 29 HB2 GLN 29 -7.221 -10.691 9.142 221 2HB GLN 29 HB1 GLN 29 -8.703 -11.629 9.268 222 1HG GLN 29 HG2 GLN 29 -8.423 -12.037 11.476 223 2HG GLN 29 HG1 GLN 29 -6.664 -12.072 11.361 224 1HE2 GLN 29 HE21 GLN 29 -5.518 -10.116 11.395 225 2HE2 GLN 29 HE22 GLN 29 -6.221 -8.667 12.020 226 H GLN 30 HN GLN 30 -8.288 -13.233 6.834 227 HA GLN 30 HA GLN 30 -10.177 -15.096 7.894 228 1HB GLN 30 HB2 GLN 30 -10.566 -13.510 5.961 229 2HB GLN 30 HB1 GLN 30 -9.542 -14.562 4.993 230 1HG GLN 30 HG2 GLN 30 -11.306 -15.798 4.510 231 2HG GLN 30 HG1 GLN 30 -11.468 -16.211 6.216 232 1HE2 GLN 30 HE21 GLN 30 -13.576 -15.934 4.315 233 2HE2 GLN 30 HE22 GLN 30 -14.595 -14.649 4.859 234 H HIS 31 HN HIS 31 -7.060 -15.281 6.418 235 HA HIS 31 HA HIS 31 -7.309 -18.189 6.077 236 1HB HIS 31 HB2 HIS 31 -5.430 -16.151 4.904 237 2HB HIS 31 HB1 HIS 31 -5.074 -17.874 4.842 238 HD1 HIS 31 HD1 HIS 31 -8.595 -16.765 4.452 239 HD2 HIS 31 HD2 HIS 31 -5.395 -17.857 2.043 240 HE1 HIS 31 HE1 HIS 31 -9.560 -17.092 2.169 241 HE2 HIS 31 HE2 HIS 31 -7.633 -17.870 0.747 242 HA PRO 32 HA PRO 32 -4.529 -17.413 9.846 243 1HB PRO 32 HB2 PRO 32 -5.918 -18.924 11.620 244 2HB PRO 32 HB1 PRO 32 -6.253 -17.209 11.356 245 1HG PRO 32 HG2 PRO 32 -7.658 -19.606 10.236 246 2HG PRO 32 HG1 PRO 32 -8.350 -18.119 10.911 247 1HD PRO 32 HD2 PRO 32 -8.134 -18.525 8.251 248 2HD PRO 32 HD1 PRO 32 -7.967 -16.914 8.980 249 H ARG 33 HN ARG 33 -6.205 -20.305 8.709 250 HA ARG 33 HA ARG 33 -3.810 -21.753 8.313 251 1HB ARG 33 HB2 ARG 33 -4.447 -23.582 10.035 252 2HB ARG 33 HB1 ARG 33 -3.587 -22.154 10.593 253 1HG ARG 33 HG2 ARG 33 -5.388 -22.773 12.113 254 2HG ARG 33 HG1 ARG 33 -5.666 -21.187 11.394 255 1HD ARG 33 HD2 ARG 33 -7.261 -22.102 9.851 256 2HD ARG 33 HD1 ARG 33 -6.886 -23.745 10.370 257 HE ARG 33 HE ARG 33 -8.614 -21.859 11.685 258 1HH1 ARG 33 HH11 ARG 33 -6.629 -24.700 12.102 259 2HH1 ARG 33 HH12 ARG 33 -7.484 -25.243 13.507 260 1HH2 ARG 33 HH21 ARG 33 -9.738 -22.571 13.533 261 2HH2 ARG 33 HH22 ARG 33 -9.248 -24.035 14.319 262 H CYS 1 HN CYS 1 -16.862 -23.650 -2.326 263 HA CYS 1 HA CYS 1 -17.770 -21.985 -0.959 264 1HB CYS 1 HB2 CYS 1 -17.125 -23.630 1.001 265 2HB CYS 1 HB1 CYS 1 -15.779 -22.514 1.209 266 HG CYS 1 HG CYS 1 -18.763 -21.736 1.593 267 H GLY 2 HN GLY 2 -15.556 -21.962 -2.855 268 1HA GLY 2 HA2 GLY 2 -14.781 -19.508 -3.196 269 2HA GLY 2 HA1 GLY 2 -13.827 -19.853 -1.761 270 H GLY 3 HN GLY 3 -12.425 -21.865 -1.941 271 1HA GLY 3 HA2 GLY 3 -11.040 -23.284 -3.208 272 2HA GLY 3 HA1 GLY 3 -11.558 -22.451 -4.666 273 H ASP 4 HN ASP 4 -10.175 -21.167 -1.656 274 HA ASP 4 HA ASP 4 -8.299 -19.954 -1.232 275 1HB ASP 4 HB2 ASP 4 -7.276 -21.107 -3.827 276 2HB ASP 4 HB1 ASP 4 -6.305 -20.346 -2.570 277 H ASN 5 HN ASN 5 -10.485 -19.117 -3.314 278 HA ASN 5 HA ASN 5 -9.488 -17.382 -5.197 279 1HB ASN 5 HB2 ASN 5 -11.920 -17.956 -4.772 280 2HB ASN 5 HB1 ASN 5 -11.895 -16.765 -3.476 281 1HD2 ASN 5 HD21 ASN 5 -10.603 -16.855 -6.781 282 2HD2 ASN 5 HD22 ASN 5 -11.338 -15.376 -7.289 283 H ILE 6 HN ILE 6 -9.785 -16.967 -1.744 284 HA ILE 6 HA ILE 6 -9.176 -14.195 -1.653 285 HB ILE 6 HB ILE 6 -9.085 -16.399 0.384 286 1HG1 ILE 6 HG12 ILE 6 -10.747 -13.898 0.469 287 2HG1 ILE 6 HG11 ILE 6 -11.251 -15.290 -0.488 288 1HG2 ILE 6 HG21 ILE 6 -7.880 -13.725 0.548 289 2HG2 ILE 6 HG22 ILE 6 -7.517 -15.190 1.458 290 3HG2 ILE 6 HG23 ILE 6 -8.890 -14.185 1.919 291 1HD1 ILE 6 HD11 ILE 6 -12.223 -15.120 1.826 292 2HD1 ILE 6 HD12 ILE 6 -10.607 -15.478 2.442 293 3HD1 ILE 6 HD13 ILE 6 -11.447 -16.652 1.425 294 H GLU 7 HN GLU 7 -7.245 -17.129 -1.142 295 HA GLU 7 HA GLU 7 -4.805 -15.980 -0.532 296 1HB GLU 7 HB2 GLU 7 -5.621 -18.504 -0.760 297 2HB GLU 7 HB1 GLU 7 -4.819 -18.363 -2.318 298 1HG GLU 7 HG2 GLU 7 -2.742 -17.778 -1.247 299 2HG GLU 7 HG1 GLU 7 -3.526 -17.770 0.332 300 H GLN 8 HN GLN 8 -6.296 -16.517 -3.664 301 HA GLN 8 HA GLN 8 -3.993 -15.594 -5.132 302 1HB GLN 8 HB2 GLN 8 -5.480 -17.280 -6.094 303 2HB GLN 8 HB1 GLN 8 -6.827 -16.154 -6.020 304 1HG GLN 8 HG2 GLN 8 -5.319 -14.657 -7.510 305 2HG GLN 8 HG1 GLN 8 -4.465 -16.162 -7.844 306 1HE2 GLN 8 HE21 GLN 8 -7.482 -14.446 -8.156 307 2HE2 GLN 8 HE22 GLN 8 -8.161 -15.458 -9.381 308 H LYS 9 HN LYS 9 -7.137 -14.333 -4.166 309 HA LYS 9 HA LYS 9 -7.070 -11.933 -5.605 310 1HB LYS 9 HB2 LYS 9 -9.006 -13.003 -4.270 311 2HB LYS 9 HB1 LYS 9 -8.326 -12.163 -2.883 312 1HG LYS 9 HG2 LYS 9 -8.841 -10.590 -5.344 313 2HG LYS 9 HG1 LYS 9 -10.224 -11.099 -4.375 314 1HD LYS 9 HD2 LYS 9 -8.347 -10.132 -2.541 315 2HD LYS 9 HD1 LYS 9 -8.316 -8.992 -3.887 316 1HE LYS 9 HE2 LYS 9 -10.839 -9.914 -2.521 317 2HE LYS 9 HE1 LYS 9 -9.965 -8.446 -2.083 318 1HZ LYS 9 HZ1 LYS 9 -10.608 -8.738 -4.898 319 2HZ LYS 9 HZ2 LYS 9 -10.687 -7.371 -3.906 320 3HZ LYS 9 HZ3 LYS 9 -11.933 -8.514 -3.871 321 H ILE 10 HN ILE 10 -5.579 -12.860 -2.569 322 HA ILE 10 HA ILE 10 -4.891 -10.183 -1.825 323 HB ILE 10 HB ILE 10 -3.325 -11.253 -0.209 324 1HG1 ILE 10 HG12 ILE 10 -4.549 -13.815 -1.246 325 2HG1 ILE 10 HG11 ILE 10 -2.868 -13.328 -1.431 326 1HG2 ILE 10 HG21 ILE 10 -5.931 -10.814 -0.006 327 2HG2 ILE 10 HG22 ILE 10 -4.994 -11.538 1.300 328 3HG2 ILE 10 HG23 ILE 10 -5.942 -12.562 0.224 329 1HD1 ILE 10 HD11 ILE 10 -4.159 -13.695 1.256 330 2HD1 ILE 10 HD12 ILE 10 -2.441 -13.578 0.870 331 3HD1 ILE 10 HD13 ILE 10 -3.358 -15.003 0.384 332 H ASP 11 HN ASP 11 -3.101 -12.887 -3.309 333 HA ASP 11 HA ASP 11 -0.576 -11.796 -3.401 334 1HB ASP 11 HB2 ASP 11 -2.087 -13.682 -5.129 335 2HB ASP 11 HB1 ASP 11 -0.628 -12.981 -5.821 336 H ASP 12 HN ASP 12 -3.376 -11.031 -5.331 337 HA ASP 12 HA ASP 12 -2.053 -9.404 -7.255 338 1HB ASP 12 HB2 ASP 12 -4.867 -9.928 -6.458 339 2HB ASP 12 HB1 ASP 12 -4.553 -8.411 -7.295 340 H ILE 13 HN ILE 13 -3.961 -8.638 -4.357 341 HA ILE 13 HA ILE 13 -3.610 -5.868 -4.413 342 HB ILE 13 HB ILE 13 -3.868 -7.583 -1.938 343 1HG1 ILE 13 HG12 ILE 13 -6.031 -6.357 -3.666 344 2HG1 ILE 13 HG11 ILE 13 -5.644 -8.072 -3.579 345 1HG2 ILE 13 HG21 ILE 13 -3.538 -4.800 -2.268 346 2HG2 ILE 13 HG22 ILE 13 -3.896 -5.688 -0.787 347 3HG2 ILE 13 HG23 ILE 13 -5.213 -5.070 -1.784 348 1HD1 ILE 13 HD11 ILE 13 -6.353 -6.630 -1.078 349 2HD1 ILE 13 HD12 ILE 13 -6.593 -8.322 -1.516 350 3HD1 ILE 13 HD13 ILE 13 -7.628 -7.074 -2.213 351 H ASP 14 HN ASP 14 -1.707 -8.378 -2.767 352 HA ASP 14 HA ASP 14 0.120 -6.875 -1.401 353 1HB ASP 14 HB2 ASP 14 -0.143 -9.523 -1.926 354 2HB ASP 14 HB1 ASP 14 1.290 -9.150 -2.879 355 H HIS 15 HN HIS 15 0.018 -7.519 -4.852 356 HA HIS 15 HA HIS 15 2.591 -6.398 -5.404 357 1HB HIS 15 HB2 HIS 15 0.998 -8.003 -6.820 358 2HB HIS 15 HB1 HIS 15 0.474 -6.465 -7.499 359 HD1 HIS 15 HD1 HIS 15 3.766 -5.676 -6.882 360 HD2 HIS 15 HD2 HIS 15 1.996 -8.292 -9.583 361 HE1 HIS 15 HE1 HIS 15 5.466 -6.014 -8.704 362 HE2 HIS 15 HE2 HIS 15 4.407 -7.670 -10.280 363 H GLU 16 HN GLU 16 -0.651 -5.183 -5.098 364 HA GLU 16 HA GLU 16 -0.001 -2.629 -6.280 365 1HB GLU 16 HB2 GLU 16 -2.507 -3.265 -4.745 366 2HB GLU 16 HB1 GLU 16 -2.280 -2.075 -6.020 367 1HG GLU 16 HG2 GLU 16 -2.219 -3.727 -7.692 368 2HG GLU 16 HG1 GLU 16 -2.011 -5.022 -6.513 369 H ILE 17 HN ILE 17 -0.408 -4.007 -3.089 370 HA ILE 17 HA ILE 17 -0.511 -1.628 -1.596 371 HB ILE 17 HB ILE 17 0.696 -4.238 -0.675 372 1HG1 ILE 17 HG12 ILE 17 -2.168 -3.529 -0.214 373 2HG1 ILE 17 HG11 ILE 17 -1.711 -4.219 -1.764 374 1HG2 ILE 17 HG21 ILE 17 -0.672 -3.169 1.424 375 2HG2 ILE 17 HG22 ILE 17 -0.061 -1.723 0.618 376 3HG2 ILE 17 HG23 ILE 17 1.060 -2.980 1.144 377 1HD1 ILE 17 HD11 ILE 17 -1.886 -6.221 -0.847 378 2HD1 ILE 17 HD12 ILE 17 -2.148 -5.514 0.747 379 3HD1 ILE 17 HD13 ILE 17 -0.507 -5.829 0.182 380 H ALA 18 HN ALA 18 2.115 -3.467 -2.972 381 HA ALA 18 HA ALA 18 4.185 -2.066 -1.540 382 1HB ALA 18 HB1 ALA 18 4.028 -4.299 -3.440 383 2HB ALA 18 HB2 ALA 18 5.078 -4.066 -2.043 384 3HB ALA 18 HB3 ALA 18 5.478 -3.303 -3.582 385 H ASP 19 HN ASP 19 2.790 -1.977 -4.794 386 HA ASP 19 HA ASP 19 4.585 -0.286 -6.049 387 1HB ASP 19 HB2 ASP 19 2.275 -1.452 -6.801 388 2HB ASP 19 HB1 ASP 19 1.713 0.206 -6.607 389 H LEU 20 HN LEU 20 1.811 0.551 -4.011 390 HA LEU 20 HA LEU 20 2.079 3.358 -4.315 391 1HB LEU 20 HB2 LEU 20 0.845 1.966 -1.954 392 2HB LEU 20 HB1 LEU 20 0.475 3.562 -2.577 393 HG LEU 20 HG LEU 20 -0.302 0.891 -3.705 394 1HD1 LEU 20 HD11 LEU 20 -1.898 1.679 -2.192 395 2HD1 LEU 20 HD12 LEU 20 -2.528 2.141 -3.773 396 3HD1 LEU 20 HD13 LEU 20 -1.741 3.343 -2.750 397 1HD2 LEU 20 HD21 LEU 20 -0.512 3.539 -5.133 398 2HD2 LEU 20 HD22 LEU 20 -1.105 1.980 -5.706 399 3HD2 LEU 20 HD23 LEU 20 0.628 2.257 -5.541 400 H GLN 21 HN GLN 21 2.989 1.173 -1.652 401 HA GLN 21 HA GLN 21 4.128 2.997 0.062 402 1HB GLN 21 HB2 GLN 21 3.794 0.583 0.542 403 2HB GLN 21 HB1 GLN 21 5.168 0.212 -0.490 404 1HG GLN 21 HG2 GLN 21 5.806 2.183 1.543 405 2HG GLN 21 HG1 GLN 21 5.231 0.662 2.225 406 1HE2 GLN 21 HE21 GLN 21 7.808 2.295 0.708 407 2HE2 GLN 21 HE22 GLN 21 8.910 0.967 0.624 408 H ALA 22 HN ALA 22 5.451 1.675 -2.893 409 HA ALA 22 HA ALA 22 8.123 2.593 -2.459 410 1HB ALA 22 HB1 ALA 22 6.624 1.341 -4.679 411 2HB ALA 22 HB2 ALA 22 8.200 0.935 -4.001 412 3HB ALA 22 HB3 ALA 22 8.043 2.291 -5.117 413 H LYS 23 HN LYS 23 5.237 3.916 -3.937 414 HA LYS 23 HA LYS 23 6.485 6.094 -5.253 415 1HB LYS 23 HB2 LYS 23 3.666 5.501 -4.406 416 2HB LYS 23 HB1 LYS 23 4.088 7.067 -5.087 417 1HG LYS 23 HG2 LYS 23 4.533 6.197 -7.170 418 2HG LYS 23 HG1 LYS 23 4.860 4.581 -6.540 419 1HD LYS 23 HD2 LYS 23 2.381 4.535 -5.896 420 2HD LYS 23 HD1 LYS 23 2.210 5.931 -6.960 421 1HE LYS 23 HE2 LYS 23 3.199 4.594 -8.797 422 2HE LYS 23 HE1 LYS 23 3.231 3.198 -7.721 423 1HZ LYS 23 HZ1 LYS 23 0.974 4.459 -9.061 424 2HZ LYS 23 HZ2 LYS 23 0.691 3.883 -7.497 425 3HZ LYS 23 HZ3 LYS 23 1.245 2.829 -8.697 426 H ARG 24 HN ARG 24 5.313 5.597 -1.991 427 HA ARG 24 HA ARG 24 5.355 8.348 -1.231 428 1HB ARG 24 HB2 ARG 24 4.783 5.791 0.021 429 2HB ARG 24 HB1 ARG 24 5.701 6.840 1.093 430 1HG ARG 24 HG2 ARG 24 3.919 8.621 0.350 431 2HG ARG 24 HG1 ARG 24 2.966 7.181 -0.012 432 1HD ARG 24 HD2 ARG 24 2.468 6.950 2.135 433 2HD ARG 24 HD1 ARG 24 4.181 6.831 2.533 434 HE ARG 24 HE ARG 24 3.099 9.507 2.184 435 1HH1 ARG 24 HH11 ARG 24 4.028 6.974 4.403 436 2HH1 ARG 24 HH12 ARG 24 4.172 8.045 5.756 437 1HH2 ARG 24 HH21 ARG 24 3.286 10.910 3.964 438 2HH2 ARG 24 HH22 ARG 24 3.750 10.277 5.507 439 H THR 25 HN THR 25 7.634 5.656 -0.879 440 HA THR 25 HA THR 25 9.553 7.002 0.668 441 HB THR 25 HB THR 25 10.566 5.023 -1.264 442 HG1 THR 25 HG1 THR 25 8.933 3.740 -1.029 443 1HG2 THR 25 HG21 THR 25 10.867 5.645 1.595 444 2HG2 THR 25 HG22 THR 25 12.062 5.127 0.406 445 3HG2 THR 25 HG23 THR 25 10.986 3.943 1.147 446 H ARG 26 HN ARG 26 9.523 6.381 -2.846 447 HA ARG 26 HA ARG 26 11.815 7.718 -3.554 448 1HB ARG 26 HB2 ARG 26 10.888 7.940 -5.773 449 2HB ARG 26 HB1 ARG 26 10.397 6.391 -5.100 450 1HG ARG 26 HG2 ARG 26 8.195 7.254 -4.619 451 2HG ARG 26 HG1 ARG 26 8.674 8.860 -5.171 452 1HD ARG 26 HD2 ARG 26 9.118 6.671 -7.089 453 2HD ARG 26 HD1 ARG 26 7.430 7.028 -6.723 454 HE ARG 26 HE ARG 26 8.686 9.450 -7.237 455 1HH1 ARG 26 HH11 ARG 26 7.946 6.503 -8.953 456 2HH1 ARG 26 HH12 ARG 26 7.830 7.283 -10.495 457 1HH2 ARG 26 HH21 ARG 26 8.532 10.478 -9.264 458 2HH2 ARG 26 HH22 ARG 26 8.163 9.539 -10.672 459 H LEU 27 HN LEU 27 8.590 9.049 -3.024 460 HA LEU 27 HA LEU 27 9.200 11.703 -3.767 461 1HB LEU 27 HB2 LEU 27 7.044 10.373 -2.204 462 2HB LEU 27 HB1 LEU 27 7.224 12.109 -2.030 463 HG LEU 27 HG LEU 27 7.123 11.055 -4.800 464 1HD1 LEU 27 HD11 LEU 27 4.989 10.643 -2.824 465 2HD1 LEU 27 HD12 LEU 27 5.285 9.839 -4.365 466 3HD1 LEU 27 HD13 LEU 27 4.482 11.409 -4.330 467 1HD2 LEU 27 HD21 LEU 27 6.457 13.152 -5.302 468 2HD2 LEU 27 HD22 LEU 27 7.198 13.525 -3.745 469 3HD2 LEU 27 HD23 LEU 27 5.453 13.296 -3.858 470 H VAL 28 HN VAL 28 9.433 9.931 -0.724 471 HA VAL 28 HA VAL 28 10.038 12.129 0.936 472 HB VAL 28 HB VAL 28 11.043 9.308 1.280 473 1HG1 VAL 28 HG11 VAL 28 11.610 9.840 3.404 474 2HG1 VAL 28 HG12 VAL 28 10.293 10.998 3.582 475 3HG1 VAL 28 HG13 VAL 28 11.758 11.454 2.712 476 1HG2 VAL 28 HG21 VAL 28 8.937 8.644 1.540 477 2HG2 VAL 28 HG22 VAL 28 8.353 10.284 1.268 478 3HG2 VAL 28 HG23 VAL 28 8.779 9.760 2.896 479 H GLN 29 HN GLN 29 12.061 9.949 -0.970 480 HA GLN 29 HA GLN 29 14.575 10.785 -0.148 481 1HB GLN 29 HB2 GLN 29 13.452 9.405 -2.466 482 2HB GLN 29 HB1 GLN 29 14.871 10.360 -2.874 483 1HG GLN 29 HG2 GLN 29 15.424 8.041 -2.312 484 2HG GLN 29 HG1 GLN 29 16.183 9.199 -1.221 485 1HE2 GLN 29 HE21 GLN 29 15.145 6.284 -1.111 486 2HE2 GLN 29 HE22 GLN 29 14.318 6.227 0.404 487 H GLN 30 HN GLN 30 12.268 12.270 -2.307 488 HA GLN 30 HA GLN 30 14.019 14.258 -3.351 489 1HB GLN 30 HB2 GLN 30 11.000 14.260 -3.143 490 2HB GLN 30 HB1 GLN 30 11.958 15.361 -4.124 491 1HG GLN 30 HG2 GLN 30 12.571 13.686 -5.623 492 2HG GLN 30 HG1 GLN 30 12.130 12.397 -4.504 493 1HE2 GLN 30 HE21 GLN 30 10.276 15.267 -5.372 494 2HE2 GLN 30 HE22 GLN 30 8.948 14.418 -6.079 495 H HIS 31 HN HIS 31 12.024 13.975 -0.488 496 HA HIS 31 HA HIS 31 13.194 16.475 0.487 497 1HB HIS 31 HB2 HIS 31 11.067 17.255 1.397 498 2HB HIS 31 HB1 HIS 31 10.967 17.080 -0.351 499 HD1 HIS 31 HD1 HIS 31 9.897 14.619 -1.072 500 HD2 HIS 31 HD2 HIS 31 8.966 16.132 2.678 501 HE1 HIS 31 HE1 HIS 31 7.797 13.438 -0.373 502 HE2 HIS 31 HE2 HIS 31 7.395 14.204 1.992 503 HA PRO 32 HA PRO 32 13.305 13.056 3.624 504 1HB PRO 32 HB2 PRO 32 15.959 13.013 4.028 505 2HB PRO 32 HB1 PRO 32 15.212 12.161 2.671 506 1HG PRO 32 HG2 PRO 32 16.617 14.803 2.708 507 2HG PRO 32 HG1 PRO 32 16.728 13.493 1.519 508 1HD PRO 32 HD2 PRO 32 15.192 15.739 1.181 509 2HD PRO 32 HD1 PRO 32 14.845 14.179 0.411 510 H ARG 33 HN ARG 33 14.835 16.211 3.469 511 HA ARG 33 HA ARG 33 15.224 16.420 6.309 512 1HB ARG 33 HB2 ARG 33 15.823 18.032 3.934 513 2HB ARG 33 HB1 ARG 33 15.375 18.990 5.338 514 1HG ARG 33 HG2 ARG 33 17.801 18.644 5.143 515 2HG ARG 33 HG1 ARG 33 17.135 17.993 6.642 516 1HD ARG 33 HD2 ARG 33 17.579 15.851 6.067 517 2HD ARG 33 HD1 ARG 33 17.256 16.131 4.356 518 HE ARG 33 HE ARG 33 19.567 17.462 4.753 519 1HH1 ARG 33 HH11 ARG 33 18.553 14.207 5.507 520 2HH1 ARG 33 HH12 ARG 33 20.145 13.543 5.355 521 1HH2 ARG 33 HH21 ARG 33 21.661 16.589 4.552 522 2HH2 ARG 33 HH22 ARG 33 21.909 14.895 4.812 Start of MODEL 49 1 H CYS 1 HT1 CYS 1 11.770 20.177 6.674 2 HA CYS 1 HA CYS 1 12.294 20.233 4.454 3 1HB CYS 1 HB2 CYS 1 12.939 17.360 4.950 4 2HB CYS 1 HB1 CYS 1 12.439 17.826 3.328 5 HG CYS 1 HG CYS 1 15.056 17.962 3.569 6 H GLY 2 HN GLY 2 10.909 19.565 2.560 7 1HA GLY 2 HA2 GLY 2 8.893 18.776 1.660 8 2HA GLY 2 HA1 GLY 2 8.406 18.254 3.267 9 H GLY 3 HN GLY 3 6.426 19.200 3.406 10 1HA GLY 3 HA2 GLY 3 4.833 20.858 3.528 11 2HA GLY 3 HA1 GLY 3 6.120 21.785 4.284 12 H ASP 4 HN ASP 4 5.839 20.622 0.947 13 HA ASP 4 HA ASP 4 5.675 23.412 0.047 14 1HB ASP 4 HB2 ASP 4 7.601 21.279 -0.866 15 2HB ASP 4 HB1 ASP 4 7.242 22.701 -1.845 16 H ASN 5 HN ASN 5 6.096 20.494 -1.857 17 HA ASN 5 HA ASN 5 3.295 20.482 -2.656 18 1HB ASN 5 HB2 ASN 5 4.645 21.994 -4.222 19 2HB ASN 5 HB1 ASN 5 5.465 20.530 -4.755 20 1HD2 ASN 5 HD21 ASN 5 2.100 21.393 -4.021 21 2HD2 ASN 5 HD22 ASN 5 1.449 20.817 -5.514 22 H ILE 6 HN ILE 6 6.517 19.078 -3.022 23 HA ILE 6 HA ILE 6 5.701 16.540 -3.946 24 HB ILE 6 HB ILE 6 8.135 16.918 -2.228 25 1HG1 ILE 6 HG12 ILE 6 7.741 17.870 -5.071 26 2HG1 ILE 6 HG11 ILE 6 8.278 18.812 -3.684 27 1HG2 ILE 6 HG21 ILE 6 9.076 15.217 -3.615 28 2HG2 ILE 6 HG22 ILE 6 7.693 15.279 -4.709 29 3HG2 ILE 6 HG23 ILE 6 7.488 14.686 -3.061 30 1HD1 ILE 6 HD11 ILE 6 10.093 18.292 -5.248 31 2HD1 ILE 6 HD12 ILE 6 9.835 16.573 -4.951 32 3HD1 ILE 6 HD13 ILE 6 10.374 17.622 -3.640 33 H GLU 7 HN GLU 7 6.531 17.757 -0.736 34 HA GLU 7 HA GLU 7 6.157 15.456 0.756 35 1HB GLU 7 HB2 GLU 7 7.104 17.507 1.690 36 2HB GLU 7 HB1 GLU 7 5.545 18.310 1.550 37 1HG GLU 7 HG2 GLU 7 5.181 17.685 3.648 38 2HG GLU 7 HG1 GLU 7 4.972 16.050 3.022 39 H GLN 8 HN GLN 8 3.768 17.729 -0.456 40 HA GLN 8 HA GLN 8 1.585 16.586 1.006 41 1HB GLN 8 HB2 GLN 8 1.542 18.921 0.251 42 2HB GLN 8 HB1 GLN 8 1.581 18.385 -1.423 43 1HG GLN 8 HG2 GLN 8 -0.620 18.213 -1.458 44 2HG GLN 8 HG1 GLN 8 -0.585 17.098 -0.093 45 1HE2 GLN 8 HE21 GLN 8 -2.020 17.745 1.340 46 2HE2 GLN 8 HE22 GLN 8 -2.249 19.366 1.892 47 H LYS 9 HN LYS 9 2.998 16.158 -2.173 48 HA LYS 9 HA LYS 9 0.964 14.677 -3.383 49 1HB LYS 9 HB2 LYS 9 3.862 15.062 -3.815 50 2HB LYS 9 HB1 LYS 9 3.180 13.597 -4.506 51 1HG LYS 9 HG2 LYS 9 1.564 14.903 -5.752 52 2HG LYS 9 HG1 LYS 9 2.172 16.387 -5.017 53 1HD LYS 9 HD2 LYS 9 3.356 16.447 -6.962 54 2HD LYS 9 HD1 LYS 9 4.466 15.471 -5.999 55 1HE LYS 9 HE2 LYS 9 4.241 14.367 -8.080 56 2HE LYS 9 HE1 LYS 9 3.293 13.440 -6.918 57 1HZ LYS 9 HZ1 LYS 9 2.110 13.751 -9.007 58 2HZ LYS 9 HZ2 LYS 9 2.195 15.430 -8.830 59 3HZ LYS 9 HZ3 LYS 9 1.294 14.511 -7.734 60 H ILE 10 HN ILE 10 3.637 13.650 -1.309 61 HA ILE 10 HA ILE 10 3.093 10.870 -1.578 62 HB ILE 10 HB ILE 10 4.463 10.643 0.525 63 1HG1 ILE 10 HG12 ILE 10 5.021 13.580 0.080 64 2HG1 ILE 10 HG11 ILE 10 3.975 12.960 1.353 65 1HG2 ILE 10 HG21 ILE 10 5.720 10.204 -1.316 66 2HG2 ILE 10 HG22 ILE 10 6.556 11.651 -0.753 67 3HG2 ILE 10 HG23 ILE 10 5.377 11.765 -2.060 68 1HD1 ILE 10 HD11 ILE 10 6.918 12.450 1.028 69 2HD1 ILE 10 HD12 ILE 10 5.895 11.687 2.245 70 3HD1 ILE 10 HD13 ILE 10 6.134 13.435 2.263 71 H ASP 11 HN ASP 11 2.198 13.313 0.842 72 HA ASP 11 HA ASP 11 1.050 11.740 2.778 73 1HB ASP 11 HB2 ASP 11 0.496 14.480 1.749 74 2HB ASP 11 HB1 ASP 11 -0.716 13.755 2.802 75 H ASP 12 HN ASP 12 -0.177 12.584 -0.377 76 HA ASP 12 HA ASP 12 -2.811 11.569 -0.012 77 1HB ASP 12 HB2 ASP 12 -1.153 12.466 -2.310 78 2HB ASP 12 HB1 ASP 12 -2.489 11.380 -2.678 79 H ILE 13 HN ILE 13 0.117 10.266 -1.538 80 HA ILE 13 HA ILE 13 -0.907 7.755 -2.225 81 HB ILE 13 HB ILE 13 1.939 8.349 -1.407 82 1HG1 ILE 13 HG12 ILE 13 0.606 8.611 -4.112 83 2HG1 ILE 13 HG11 ILE 13 1.199 9.936 -3.117 84 1HG2 ILE 13 HG21 ILE 13 0.752 5.941 -2.028 85 2HG2 ILE 13 HG22 ILE 13 2.477 6.297 -2.096 86 3HG2 ILE 13 HG23 ILE 13 1.491 6.437 -3.550 87 1HD1 ILE 13 HD11 ILE 13 3.222 7.921 -3.696 88 2HD1 ILE 13 HD12 ILE 13 3.292 9.678 -3.832 89 3HD1 ILE 13 HD13 ILE 13 2.576 8.720 -5.129 90 H ASP 14 HN ASP 14 0.830 8.797 0.699 91 HA ASP 14 HA ASP 14 1.020 6.434 2.069 92 1HB ASP 14 HB2 ASP 14 1.541 9.028 2.674 93 2HB ASP 14 HB1 ASP 14 0.154 8.729 3.715 94 H HIS 15 HN HIS 15 -1.819 8.437 1.599 95 HA HIS 15 HA HIS 15 -3.441 7.050 3.509 96 1HB HIS 15 HB2 HIS 15 -3.721 9.440 2.435 97 2HB HIS 15 HB1 HIS 15 -4.602 8.554 1.196 98 HD1 HIS 15 HD1 HIS 15 -5.414 6.659 3.976 99 HD2 HIS 15 HD2 HIS 15 -6.470 10.502 2.799 100 HE1 HIS 15 HE1 HIS 15 -7.536 7.184 5.220 101 HE2 HIS 15 HE2 HIS 15 -8.106 9.548 4.560 102 H GLU 16 HN GLU 16 -2.614 6.659 0.161 103 HA GLU 16 HA GLU 16 -4.733 4.760 -0.340 104 1HB GLU 16 HB2 GLU 16 -2.378 5.311 -2.133 105 2HB GLU 16 HB1 GLU 16 -3.970 4.712 -2.581 106 1HG GLU 16 HG2 GLU 16 -4.960 6.812 -2.321 107 2HG GLU 16 HG1 GLU 16 -3.599 7.435 -1.389 108 H ILE 17 HN ILE 17 -1.305 4.748 0.356 109 HA ILE 17 HA ILE 17 -0.749 2.061 -0.268 110 HB ILE 17 HB ILE 17 0.591 3.709 1.880 111 1HG1 ILE 17 HG12 ILE 17 1.632 3.514 -0.915 112 2HG1 ILE 17 HG11 ILE 17 0.346 4.665 -0.571 113 1HG2 ILE 17 HG21 ILE 17 2.530 2.215 0.743 114 2HG2 ILE 17 HG22 ILE 17 1.148 1.132 0.572 115 3HG2 ILE 17 HG23 ILE 17 1.614 1.723 2.167 116 1HD1 ILE 17 HD11 ILE 17 1.889 6.097 0.096 117 2HD1 ILE 17 HD12 ILE 17 3.152 4.879 -0.087 118 3HD1 ILE 17 HD13 ILE 17 2.271 5.016 1.435 119 H ALA 18 HN ALA 18 -2.136 3.624 2.530 120 HA ALA 18 HA ALA 18 -1.956 1.302 4.225 121 1HB ALA 18 HB1 ALA 18 -2.861 4.085 4.494 122 2HB ALA 18 HB2 ALA 18 -1.985 3.058 5.629 123 3HB ALA 18 HB3 ALA 18 -3.736 2.913 5.480 124 H ASP 19 HN ASP 19 -4.452 2.896 2.294 125 HA ASP 19 HA ASP 19 -6.692 1.513 3.151 126 1HB ASP 19 HB2 ASP 19 -6.495 3.443 1.449 127 2HB ASP 19 HB1 ASP 19 -6.252 2.177 0.249 128 H LEU 20 HN LEU 20 -4.313 0.580 0.699 129 HA LEU 20 HA LEU 20 -5.630 -1.823 -0.051 130 1HB LEU 20 HB2 LEU 20 -2.681 -1.307 -0.311 131 2HB LEU 20 HB1 LEU 20 -3.691 -2.332 -1.311 132 HG LEU 20 HG LEU 20 -3.557 0.670 -1.276 133 1HD1 LEU 20 HD11 LEU 20 -1.930 -0.264 -2.695 134 2HD1 LEU 20 HD12 LEU 20 -3.256 0.228 -3.749 135 3HD1 LEU 20 HD13 LEU 20 -3.053 -1.471 -3.319 136 1HD2 LEU 20 HD21 LEU 20 -5.435 0.754 -2.771 137 2HD2 LEU 20 HD22 LEU 20 -5.929 -0.072 -1.294 138 3HD2 LEU 20 HD23 LEU 20 -5.584 -1.003 -2.752 139 H GLN 21 HN GLN 21 -2.741 -1.241 1.954 140 HA GLN 21 HA GLN 21 -2.214 -3.834 2.719 141 1HB GLN 21 HB2 GLN 21 -0.810 -1.825 3.220 142 2HB GLN 21 HB1 GLN 21 -1.939 -1.412 4.503 143 1HG GLN 21 HG2 GLN 21 -1.397 -3.897 5.256 144 2HG GLN 21 HG1 GLN 21 0.093 -3.560 4.376 145 1HE2 GLN 21 HE21 GLN 21 1.606 -3.121 5.811 146 2HE2 GLN 21 HE22 GLN 21 1.453 -2.043 7.153 147 H ALA 22 HN ALA 22 -4.640 -1.630 3.969 148 HA ALA 22 HA ALA 22 -5.342 -3.213 6.235 149 1HB ALA 22 HB1 ALA 22 -7.540 -1.732 5.881 150 2HB ALA 22 HB2 ALA 22 -6.409 -0.800 4.898 151 3HB ALA 22 HB3 ALA 22 -6.061 -1.095 6.602 152 H LYS 23 HN LYS 23 -6.327 -3.131 2.887 153 HA LYS 23 HA LYS 23 -8.699 -4.673 3.209 154 1HB LYS 23 HB2 LYS 23 -7.358 -3.334 1.092 155 2HB LYS 23 HB1 LYS 23 -7.612 -4.999 0.586 156 1HG LYS 23 HG2 LYS 23 -9.540 -4.004 -0.146 157 2HG LYS 23 HG1 LYS 23 -10.041 -4.591 1.441 158 1HD LYS 23 HD2 LYS 23 -10.760 -2.478 1.733 159 2HD LYS 23 HD1 LYS 23 -9.062 -2.142 2.079 160 1HE LYS 23 HE2 LYS 23 -8.763 -1.009 0.154 161 2HE LYS 23 HE1 LYS 23 -9.792 -2.104 -0.769 162 1HZ LYS 23 HZ1 LYS 23 -10.941 -0.182 1.156 163 2HZ LYS 23 HZ2 LYS 23 -11.699 -0.960 -0.139 164 3HZ LYS 23 HZ3 LYS 23 -10.585 0.279 -0.432 165 H ARG 24 HN ARG 24 -5.330 -5.444 2.562 166 HA ARG 24 HA ARG 24 -5.743 -8.171 1.890 167 1HB ARG 24 HB2 ARG 24 -3.485 -6.391 2.329 168 2HB ARG 24 HB1 ARG 24 -3.181 -8.001 2.965 169 1HG ARG 24 HG2 ARG 24 -4.123 -8.730 0.611 170 2HG ARG 24 HG1 ARG 24 -3.586 -7.110 0.168 171 1HD ARG 24 HD2 ARG 24 -1.473 -7.784 0.085 172 2HD ARG 24 HD1 ARG 24 -1.567 -8.387 1.738 173 HE ARG 24 HE ARG 24 -2.652 -10.084 -0.366 174 1HH1 ARG 24 HH11 ARG 24 -0.003 -9.400 1.810 175 2HH1 ARG 24 HH12 ARG 24 0.669 -10.990 1.683 176 1HH2 ARG 24 HH21 ARG 24 -1.762 -12.170 -0.530 177 2HH2 ARG 24 HH22 ARG 24 -0.325 -12.560 0.355 178 H THR 25 HN THR 25 -4.858 -6.549 4.924 179 HA THR 25 HA THR 25 -4.514 -8.844 6.486 180 HB THR 25 HB THR 25 -5.688 -6.491 7.822 181 HG1 THR 25 HG1 THR 25 -3.275 -6.335 6.347 182 1HG2 THR 25 HG21 THR 25 -3.615 -6.673 9.179 183 2HG2 THR 25 HG22 THR 25 -3.169 -8.079 8.211 184 3HG2 THR 25 HG23 THR 25 -4.630 -8.114 9.198 185 H ARG 26 HN ARG 26 -7.364 -6.717 6.255 186 HA ARG 26 HA ARG 26 -9.083 -8.092 7.903 187 1HB ARG 26 HB2 ARG 26 -10.923 -7.118 6.593 188 2HB ARG 26 HB1 ARG 26 -9.658 -5.941 6.917 189 1HG ARG 26 HG2 ARG 26 -8.815 -6.168 4.668 190 2HG ARG 26 HG1 ARG 26 -9.980 -7.449 4.331 191 1HD ARG 26 HD2 ARG 26 -10.747 -4.646 5.120 192 2HD ARG 26 HD1 ARG 26 -10.608 -5.189 3.448 193 HE ARG 26 HE ARG 26 -12.306 -6.988 4.529 194 1HH1 ARG 26 HH11 ARG 26 -12.254 -3.498 4.499 195 2HH1 ARG 26 HH12 ARG 26 -13.978 -3.348 4.562 196 1HH2 ARG 26 HH21 ARG 26 -14.572 -6.792 4.612 197 2HH2 ARG 26 HH22 ARG 26 -15.294 -5.218 4.627 198 H LEU 27 HN LEU 27 -8.367 -8.698 4.501 199 HA LEU 27 HA LEU 27 -10.229 -10.794 4.146 200 1HB LEU 27 HB2 LEU 27 -7.931 -9.688 2.673 201 2HB LEU 27 HB1 LEU 27 -8.237 -11.390 2.380 202 HG LEU 27 HG LEU 27 -10.737 -10.422 2.078 203 1HD1 LEU 27 HD11 LEU 27 -10.638 -8.346 0.806 204 2HD1 LEU 27 HD12 LEU 27 -8.904 -8.232 1.110 205 3HD1 LEU 27 HD13 LEU 27 -10.045 -8.110 2.449 206 1HD2 LEU 27 HD21 LEU 27 -9.168 -11.790 0.543 207 2HD2 LEU 27 HD22 LEU 27 -8.818 -10.235 -0.211 208 3HD2 LEU 27 HD23 LEU 27 -10.470 -10.850 -0.186 209 H VAL 28 HN VAL 28 -6.863 -10.699 5.225 210 HA VAL 28 HA VAL 28 -6.400 -13.475 5.240 211 HB VAL 28 HB VAL 28 -5.209 -11.476 7.154 212 1HG1 VAL 28 HG11 VAL 28 -3.247 -13.238 6.601 213 2HG1 VAL 28 HG12 VAL 28 -4.659 -14.286 6.464 214 3HG1 VAL 28 HG13 VAL 28 -4.358 -13.403 7.960 215 1HG2 VAL 28 HG21 VAL 28 -4.991 -11.611 4.300 216 2HG2 VAL 28 HG22 VAL 28 -3.431 -11.987 5.032 217 3HG2 VAL 28 HG23 VAL 28 -4.245 -10.472 5.419 218 H GLN 29 HN GLN 29 -7.549 -11.286 7.782 219 HA GLN 29 HA GLN 29 -7.754 -13.060 9.887 220 1HB GLN 29 HB2 GLN 29 -8.917 -10.490 9.179 221 2HB GLN 29 HB1 GLN 29 -10.040 -11.474 10.107 222 1HG GLN 29 HG2 GLN 29 -8.946 -11.077 11.988 223 2HG GLN 29 HG1 GLN 29 -7.415 -11.576 11.272 224 1HE2 GLN 29 HE21 GLN 29 -6.021 -10.044 10.479 225 2HE2 GLN 29 HE22 GLN 29 -6.232 -8.349 10.742 226 H GLN 30 HN GLN 30 -9.809 -12.652 7.094 227 HA GLN 30 HA GLN 30 -11.948 -14.296 8.006 228 1HB GLN 30 HB2 GLN 30 -11.713 -12.561 5.975 229 2HB GLN 30 HB1 GLN 30 -11.401 -14.051 5.096 230 1HG GLN 30 HG2 GLN 30 -13.719 -14.209 6.855 231 2HG GLN 30 HG1 GLN 30 -13.862 -12.975 5.603 232 1HE2 GLN 30 HE21 GLN 30 -13.583 -16.367 6.273 233 2HE2 GLN 30 HE22 GLN 30 -13.988 -16.925 4.689 234 H HIS 31 HN HIS 31 -8.902 -14.877 6.390 235 HA HIS 31 HA HIS 31 -9.359 -17.752 6.682 236 1HB HIS 31 HB2 HIS 31 -8.518 -18.248 4.452 237 2HB HIS 31 HB1 HIS 31 -9.929 -17.202 4.342 238 HD1 HIS 31 HD1 HIS 31 -9.310 -14.568 3.974 239 HD2 HIS 31 HD2 HIS 31 -6.356 -17.344 3.077 240 HE1 HIS 31 HE1 HIS 31 -7.665 -13.352 2.514 241 HE2 HIS 31 HE2 HIS 31 -5.812 -15.009 2.121 242 HA PRO 32 HA PRO 32 -5.195 -16.306 8.214 243 1HB PRO 32 HB2 PRO 32 -5.296 -17.765 10.517 244 2HB PRO 32 HB1 PRO 32 -5.923 -16.118 10.379 245 1HG PRO 32 HG2 PRO 32 -7.394 -18.722 10.257 246 2HG PRO 32 HG1 PRO 32 -7.842 -17.222 11.091 247 1HD PRO 32 HD2 PRO 32 -8.924 -17.924 8.722 248 2HD PRO 32 HD1 PRO 32 -8.615 -16.228 9.152 249 H ARG 33 HN ARG 33 -6.755 -19.426 7.907 250 HA ARG 33 HA ARG 33 -4.376 -20.985 8.143 251 1HB ARG 33 HB2 ARG 33 -7.142 -21.566 7.104 252 2HB ARG 33 HB1 ARG 33 -5.856 -22.763 7.035 253 1HG ARG 33 HG2 ARG 33 -6.700 -23.377 9.024 254 2HG ARG 33 HG1 ARG 33 -5.687 -22.061 9.622 255 1HD ARG 33 HD2 ARG 33 -7.728 -20.565 9.230 256 2HD ARG 33 HD1 ARG 33 -8.643 -22.066 9.100 257 HE ARG 33 HE ARG 33 -7.323 -22.360 11.437 258 1HH1 ARG 33 HH11 ARG 33 -9.335 -19.817 10.148 259 2HH1 ARG 33 HH12 ARG 33 -9.914 -19.316 11.702 260 1HH2 ARG 33 HH21 ARG 33 -8.082 -21.704 13.481 261 2HH2 ARG 33 HH22 ARG 33 -9.202 -20.387 13.595 262 H CYS 1 HN CYS 1 -4.018 -17.555 -8.541 263 HA CYS 1 HA CYS 1 -5.484 -18.890 -7.394 264 1HB CYS 1 HB2 CYS 1 -3.521 -20.382 -8.054 265 2HB CYS 1 HB1 CYS 1 -2.990 -20.250 -6.381 266 HG CYS 1 HG CYS 1 -5.284 -21.974 -7.396 267 H GLY 2 HN GLY 2 -6.427 -19.407 -5.378 268 1HA GLY 2 HA2 GLY 2 -5.277 -17.876 -3.126 269 2HA GLY 2 HA1 GLY 2 -7.003 -18.081 -3.395 270 H GLY 3 HN GLY 3 -7.112 -20.797 -3.948 271 1HA GLY 3 HA2 GLY 3 -6.768 -22.917 -2.987 272 2HA GLY 3 HA1 GLY 3 -5.861 -22.156 -1.686 273 H ASP 4 HN ASP 4 -7.979 -20.124 -1.298 274 HA ASP 4 HA ASP 4 -10.040 -21.814 -0.080 275 1HB ASP 4 HB2 ASP 4 -8.514 -19.524 1.117 276 2HB ASP 4 HB1 ASP 4 -10.103 -19.971 1.728 277 H ASN 5 HN ASN 5 -9.511 -19.605 -2.401 278 HA ASN 5 HA ASN 5 -10.888 -18.305 -3.667 279 1HB ASN 5 HB2 ASN 5 -12.724 -19.935 -2.184 280 2HB ASN 5 HB1 ASN 5 -13.358 -18.292 -2.240 281 1HD2 ASN 5 HD21 ASN 5 -12.338 -17.513 -4.719 282 2HD2 ASN 5 HD22 ASN 5 -13.143 -18.417 -5.951 283 H ILE 6 HN ILE 6 -9.326 -17.441 -1.471 284 HA ILE 6 HA ILE 6 -10.461 -14.797 -1.038 285 HB ILE 6 HB ILE 6 -9.271 -16.194 1.324 286 1HG1 ILE 6 HG12 ILE 6 -12.211 -16.297 0.634 287 2HG1 ILE 6 HG11 ILE 6 -11.095 -17.650 0.475 288 1HG2 ILE 6 HG21 ILE 6 -9.577 -13.802 1.433 289 2HG2 ILE 6 HG22 ILE 6 -10.675 -14.601 2.558 290 3HG2 ILE 6 HG23 ILE 6 -11.284 -13.974 1.026 291 1HD1 ILE 6 HD11 ILE 6 -12.631 -17.303 2.606 292 2HD1 ILE 6 HD12 ILE 6 -11.249 -16.334 3.117 293 3HD1 ILE 6 HD13 ILE 6 -11.029 -18.034 2.699 294 H GLU 7 HN GLU 7 -7.882 -17.021 -0.167 295 HA GLU 7 HA GLU 7 -5.769 -15.297 0.193 296 1HB GLU 7 HB2 GLU 7 -6.158 -18.085 -0.083 297 2HB GLU 7 HB1 GLU 7 -4.888 -17.648 -1.222 298 1HG GLU 7 HG2 GLU 7 -3.660 -16.542 0.609 299 2HG GLU 7 HG1 GLU 7 -4.904 -17.087 1.734 300 H GLN 8 HN GLN 8 -7.381 -16.208 -2.725 301 HA GLN 8 HA GLN 8 -5.322 -15.410 -4.543 302 1HB GLN 8 HB2 GLN 8 -6.996 -17.028 -5.228 303 2HB GLN 8 HB1 GLN 8 -8.286 -15.878 -4.918 304 1HG GLN 8 HG2 GLN 8 -6.149 -15.247 -6.908 305 2HG GLN 8 HG1 GLN 8 -7.496 -16.299 -7.342 306 1HE2 GLN 8 HE21 GLN 8 -6.432 -13.207 -7.405 307 2HE2 GLN 8 HE22 GLN 8 -7.943 -12.374 -7.496 308 H LYS 9 HN LYS 9 -8.352 -13.979 -3.403 309 HA LYS 9 HA LYS 9 -8.277 -11.621 -4.878 310 1HB LYS 9 HB2 LYS 9 -9.638 -12.543 -2.422 311 2HB LYS 9 HB1 LYS 9 -9.519 -10.800 -2.621 312 1HG LYS 9 HG2 LYS 9 -10.572 -11.013 -4.841 313 2HG LYS 9 HG1 LYS 9 -10.760 -12.744 -4.556 314 1HD LYS 9 HD2 LYS 9 -11.789 -11.036 -2.403 315 2HD LYS 9 HD1 LYS 9 -12.623 -10.851 -3.948 316 1HE LYS 9 HE2 LYS 9 -13.289 -13.084 -3.993 317 2HE LYS 9 HE1 LYS 9 -12.070 -13.568 -2.815 318 1HZ LYS 9 HZ1 LYS 9 -13.288 -12.582 -1.074 319 2HZ LYS 9 HZ2 LYS 9 -14.421 -13.450 -1.981 320 3HZ LYS 9 HZ3 LYS 9 -14.325 -11.769 -2.136 321 H ILE 10 HN ILE 10 -6.734 -12.437 -1.815 322 HA ILE 10 HA ILE 10 -5.875 -9.782 -1.248 323 HB ILE 10 HB ILE 10 -4.258 -10.875 0.312 324 1HG1 ILE 10 HG12 ILE 10 -5.718 -13.418 -0.407 325 2HG1 ILE 10 HG11 ILE 10 -4.099 -13.018 -0.975 326 1HG2 ILE 10 HG21 ILE 10 -7.176 -11.577 0.540 327 2HG2 ILE 10 HG22 ILE 10 -6.389 -10.102 1.104 328 3HG2 ILE 10 HG23 ILE 10 -6.023 -11.647 1.872 329 1HD1 ILE 10 HD11 ILE 10 -4.107 -14.536 0.959 330 2HD1 ILE 10 HD12 ILE 10 -4.880 -13.271 1.916 331 3HD1 ILE 10 HD13 ILE 10 -3.256 -13.023 1.272 332 H ASP 11 HN ASP 11 -4.301 -12.587 -2.770 333 HA ASP 11 HA ASP 11 -1.727 -11.628 -3.016 334 1HB ASP 11 HB2 ASP 11 -2.920 -13.854 -3.874 335 2HB ASP 11 HB1 ASP 11 -2.914 -12.974 -5.400 336 H ASP 12 HN ASP 12 -4.591 -10.792 -4.819 337 HA ASP 12 HA ASP 12 -3.306 -9.288 -6.863 338 1HB ASP 12 HB2 ASP 12 -5.834 -10.173 -6.533 339 2HB ASP 12 HB1 ASP 12 -6.041 -8.503 -6.013 340 H ILE 13 HN ILE 13 -4.871 -8.427 -3.809 341 HA ILE 13 HA ILE 13 -4.447 -5.662 -3.936 342 HB ILE 13 HB ILE 13 -4.503 -7.341 -1.428 343 1HG1 ILE 13 HG12 ILE 13 -6.773 -6.196 -3.065 344 2HG1 ILE 13 HG11 ILE 13 -6.438 -7.898 -2.766 345 1HG2 ILE 13 HG21 ILE 13 -5.756 -4.717 -1.361 346 2HG2 ILE 13 HG22 ILE 13 -4.037 -4.641 -1.745 347 3HG2 ILE 13 HG23 ILE 13 -4.575 -5.436 -0.266 348 1HD1 ILE 13 HD11 ILE 13 -7.802 -7.806 -1.034 349 2HD1 ILE 13 HD12 ILE 13 -7.996 -6.064 -1.232 350 3HD1 ILE 13 HD13 ILE 13 -6.678 -6.697 -0.245 351 H ASP 14 HN ASP 14 -2.484 -8.250 -2.490 352 HA ASP 14 HA ASP 14 -0.474 -6.806 -1.316 353 1HB ASP 14 HB2 ASP 14 -0.888 -9.446 -1.783 354 2HB ASP 14 HB1 ASP 14 0.455 -9.136 -2.878 355 H HIS 15 HN HIS 15 -0.968 -7.438 -4.730 356 HA HIS 15 HA HIS 15 1.584 -6.430 -5.550 357 1HB HIS 15 HB2 HIS 15 -0.168 -7.992 -6.791 358 2HB HIS 15 HB1 HIS 15 -0.755 -6.449 -7.402 359 HD1 HIS 15 HD1 HIS 15 2.624 -5.744 -7.141 360 HD2 HIS 15 HD2 HIS 15 0.466 -8.223 -9.683 361 HE1 HIS 15 HE1 HIS 15 4.088 -6.076 -9.158 362 HE2 HIS 15 HE2 HIS 15 2.800 -7.653 -10.642 363 H GLU 16 HN GLU 16 -1.563 -5.093 -4.927 364 HA GLU 16 HA GLU 16 -0.958 -2.574 -6.201 365 1HB GLU 16 HB2 GLU 16 -3.279 -3.110 -4.364 366 2HB GLU 16 HB1 GLU 16 -3.166 -1.924 -5.658 367 1HG GLU 16 HG2 GLU 16 -3.391 -3.557 -7.323 368 2HG GLU 16 HG1 GLU 16 -3.054 -4.871 -6.196 369 H ILE 17 HN ILE 17 -1.000 -3.922 -2.977 370 HA ILE 17 HA ILE 17 -0.826 -1.522 -1.511 371 HB ILE 17 HB ILE 17 0.343 -4.189 -0.711 372 1HG1 ILE 17 HG12 ILE 17 -2.393 -3.302 0.092 373 2HG1 ILE 17 HG11 ILE 17 -2.174 -4.028 -1.494 374 1HG2 ILE 17 HG21 ILE 17 -0.672 -3.040 1.533 375 2HG2 ILE 17 HG22 ILE 17 -0.109 -1.626 0.639 376 3HG2 ILE 17 HG23 ILE 17 1.013 -2.933 1.023 377 1HD1 ILE 17 HD11 ILE 17 -2.152 -6.051 -0.611 378 2HD1 ILE 17 HD12 ILE 17 -2.546 -5.324 0.947 379 3HD1 ILE 17 HD13 ILE 17 -0.862 -5.606 0.506 380 H ALA 18 HN ALA 18 1.540 -3.515 -3.140 381 HA ALA 18 HA ALA 18 3.821 -2.205 -1.979 382 1HB ALA 18 HB1 ALA 18 4.805 -3.494 -4.159 383 2HB ALA 18 HB2 ALA 18 3.339 -4.422 -3.838 384 3HB ALA 18 HB3 ALA 18 4.561 -4.238 -2.579 385 H ASP 19 HN ASP 19 2.038 -2.012 -5.026 386 HA ASP 19 HA ASP 19 3.761 -0.410 -6.491 387 1HB ASP 19 HB2 ASP 19 1.317 -1.459 -6.955 388 2HB ASP 19 HB1 ASP 19 0.878 0.231 -6.721 389 H LEU 20 HN LEU 20 1.280 0.559 -4.152 390 HA LEU 20 HA LEU 20 1.641 3.347 -4.499 391 1HB LEU 20 HB2 LEU 20 0.654 2.042 -1.980 392 2HB LEU 20 HB1 LEU 20 0.254 3.630 -2.604 393 HG LEU 20 HG LEU 20 -0.698 0.958 -3.600 394 1HD1 LEU 20 HD11 LEU 20 -2.016 1.772 -1.819 395 2HD1 LEU 20 HD12 LEU 20 -2.911 2.124 -3.298 396 3HD1 LEU 20 HD13 LEU 20 -2.024 3.407 -2.477 397 1HD2 LEU 20 HD21 LEU 20 -0.018 2.411 -5.508 398 2HD2 LEU 20 HD22 LEU 20 -1.167 3.618 -4.934 399 3HD2 LEU 20 HD23 LEU 20 -1.741 2.038 -5.466 400 H GLN 21 HN GLN 21 2.768 1.134 -1.944 401 HA GLN 21 HA GLN 21 4.187 2.911 -0.398 402 1HB GLN 21 HB2 GLN 21 3.811 0.243 -0.324 403 2HB GLN 21 HB1 GLN 21 5.488 0.289 -0.851 404 1HG GLN 21 HG2 GLN 21 5.959 1.787 1.103 405 2HG GLN 21 HG1 GLN 21 4.322 1.449 1.663 406 1HE2 GLN 21 HE21 GLN 21 4.017 -0.275 2.895 407 2HE2 GLN 21 HE22 GLN 21 5.153 -1.554 3.139 408 H ALA 22 HN ALA 22 5.088 1.505 -3.473 409 HA ALA 22 HA ALA 22 7.831 2.285 -3.373 410 1HB ALA 22 HB1 ALA 22 7.927 1.637 -5.686 411 2HB ALA 22 HB2 ALA 22 6.168 1.667 -5.810 412 3HB ALA 22 HB3 ALA 22 6.960 0.454 -4.804 413 H LYS 23 HN LYS 23 4.871 3.770 -4.533 414 HA LYS 23 HA LYS 23 6.110 5.891 -5.959 415 1HB LYS 23 HB2 LYS 23 3.360 5.274 -5.003 416 2HB LYS 23 HB1 LYS 23 3.719 6.943 -5.421 417 1HG LYS 23 HG2 LYS 23 3.674 6.519 -7.606 418 2HG LYS 23 HG1 LYS 23 4.650 5.059 -7.430 419 1HD LYS 23 HD2 LYS 23 2.558 4.350 -8.277 420 2HD LYS 23 HD1 LYS 23 2.559 3.925 -6.564 421 1HE LYS 23 HE2 LYS 23 1.133 5.719 -6.014 422 2HE LYS 23 HE1 LYS 23 1.385 6.500 -7.575 423 1HZ LYS 23 HZ1 LYS 23 -0.746 5.027 -7.006 424 2HZ LYS 23 HZ2 LYS 23 0.253 3.825 -7.654 425 3HZ LYS 23 HZ3 LYS 23 -0.130 5.191 -8.574 426 H ARG 24 HN ARG 24 5.063 5.475 -2.631 427 HA ARG 24 HA ARG 24 5.336 8.198 -1.863 428 1HB ARG 24 HB2 ARG 24 3.981 6.624 -0.577 429 2HB ARG 24 HB1 ARG 24 5.411 5.678 -0.194 430 1HG ARG 24 HG2 ARG 24 6.024 7.047 1.464 431 2HG ARG 24 HG1 ARG 24 5.609 8.500 0.553 432 1HD ARG 24 HD2 ARG 24 3.152 7.407 1.050 433 2HD ARG 24 HD1 ARG 24 4.044 6.990 2.512 434 HE ARG 24 HE ARG 24 3.199 9.610 1.679 435 1HH1 ARG 24 HH11 ARG 24 5.465 7.816 3.634 436 2HH1 ARG 24 HH12 ARG 24 5.764 9.133 4.719 437 1HH2 ARG 24 HH21 ARG 24 3.590 11.342 3.104 438 2HH2 ARG 24 HH22 ARG 24 4.699 11.135 4.418 439 H THR 25 HN THR 25 7.489 5.387 -1.627 440 HA THR 25 HA THR 25 9.567 6.649 -0.224 441 HB THR 25 HB THR 25 10.288 4.580 -2.215 442 HG1 THR 25 HG1 THR 25 9.248 2.977 -0.937 443 1HG2 THR 25 HG21 THR 25 11.847 5.268 -0.445 444 2HG2 THR 25 HG22 THR 25 11.430 3.556 -0.367 445 3HG2 THR 25 HG23 THR 25 10.694 4.694 0.761 446 H ARG 26 HN ARG 26 9.239 6.038 -3.724 447 HA ARG 26 HA ARG 26 11.559 7.228 -4.604 448 1HB ARG 26 HB2 ARG 26 10.378 7.631 -6.740 449 2HB ARG 26 HB1 ARG 26 10.102 6.013 -6.109 450 1HG ARG 26 HG2 ARG 26 7.912 6.649 -5.321 451 2HG ARG 26 HG1 ARG 26 8.187 8.318 -5.821 452 1HD ARG 26 HD2 ARG 26 6.915 7.430 -7.557 453 2HD ARG 26 HD1 ARG 26 8.567 7.339 -8.164 454 HE ARG 26 HE ARG 26 8.054 4.922 -6.926 455 1HH1 ARG 26 HH11 ARG 26 6.770 6.743 -9.611 456 2HH1 ARG 26 HH12 ARG 26 6.276 5.335 -10.491 457 1HH2 ARG 26 HH21 ARG 26 7.405 3.069 -8.082 458 2HH2 ARG 26 HH22 ARG 26 6.635 3.250 -9.622 459 H LEU 27 HN LEU 27 8.455 8.757 -3.884 460 HA LEU 27 HA LEU 27 9.192 11.363 -4.683 461 1HB LEU 27 HB2 LEU 27 7.008 10.146 -3.103 462 2HB LEU 27 HB1 LEU 27 7.337 11.838 -2.774 463 HG LEU 27 HG LEU 27 5.544 11.441 -4.466 464 1HD1 LEU 27 HD11 LEU 27 6.262 13.572 -4.701 465 2HD1 LEU 27 HD12 LEU 27 6.848 12.950 -6.244 466 3HD1 LEU 27 HD13 LEU 27 7.953 13.103 -4.878 467 1HD2 LEU 27 HD21 LEU 27 6.280 9.558 -5.663 468 2HD2 LEU 27 HD22 LEU 27 7.858 10.276 -5.984 469 3HD2 LEU 27 HD23 LEU 27 6.424 10.905 -6.792 470 H VAL 28 HN VAL 28 9.553 9.568 -1.679 471 HA VAL 28 HA VAL 28 10.326 11.736 -0.043 472 HB VAL 28 HB VAL 28 11.221 8.869 0.222 473 1HG1 VAL 28 HG11 VAL 28 12.381 10.664 1.582 474 2HG1 VAL 28 HG12 VAL 28 11.657 9.339 2.493 475 3HG1 VAL 28 HG13 VAL 28 10.839 10.899 2.406 476 1HG2 VAL 28 HG21 VAL 28 9.144 8.288 0.757 477 2HG2 VAL 28 HG22 VAL 28 8.599 9.907 0.325 478 3HG2 VAL 28 HG23 VAL 28 9.078 9.552 1.985 479 H GLN 29 HN GLN 29 12.189 9.430 -1.981 480 HA GLN 29 HA GLN 29 14.758 10.231 -1.326 481 1HB GLN 29 HB2 GLN 29 13.485 8.820 -3.553 482 2HB GLN 29 HB1 GLN 29 14.930 9.699 -4.036 483 1HG GLN 29 HG2 GLN 29 15.751 7.617 -3.477 484 2HG GLN 29 HG1 GLN 29 16.035 8.555 -2.012 485 1HE2 GLN 29 HE21 GLN 29 13.510 6.545 -3.490 486 2HE2 GLN 29 HE22 GLN 29 13.069 5.727 -2.034 487 H GLN 30 HN GLN 30 12.380 11.718 -3.400 488 HA GLN 30 HA GLN 30 14.131 13.616 -4.609 489 1HB GLN 30 HB2 GLN 30 11.132 13.760 -4.242 490 2HB GLN 30 HB1 GLN 30 12.087 14.722 -5.361 491 1HG GLN 30 HG2 GLN 30 12.806 12.321 -6.220 492 2HG GLN 30 HG1 GLN 30 11.243 11.889 -5.530 493 1HE2 GLN 30 HE21 GLN 30 10.289 11.452 -7.487 494 2HE2 GLN 30 HE22 GLN 30 9.909 12.678 -8.643 495 H HIS 31 HN HIS 31 12.300 13.470 -1.636 496 HA HIS 31 HA HIS 31 13.618 15.913 -0.756 497 1HB HIS 31 HB2 HIS 31 11.587 16.954 0.065 498 2HB HIS 31 HB1 HIS 31 11.447 16.666 -1.664 499 HD1 HIS 31 HD1 HIS 31 10.044 14.394 -2.270 500 HD2 HIS 31 HD2 HIS 31 9.489 16.021 1.509 501 HE1 HIS 31 HE1 HIS 31 7.866 13.455 -1.447 502 HE2 HIS 31 HE2 HIS 31 7.667 14.288 0.921 503 HA PRO 32 HA PRO 32 13.400 12.469 2.402 504 1HB PRO 32 HB2 PRO 32 16.053 12.510 3.002 505 2HB PRO 32 HB1 PRO 32 15.372 11.523 1.704 506 1HG PRO 32 HG2 PRO 32 16.744 14.180 1.544 507 2HG PRO 32 HG1 PRO 32 16.931 12.759 0.499 508 1HD PRO 32 HD2 PRO 32 15.427 14.887 -0.214 509 2HD PRO 32 HD1 PRO 32 15.014 13.230 -0.698 510 H ARG 33 HN ARG 33 14.390 12.584 4.696 511 HA ARG 33 HA ARG 33 14.490 13.646 6.704 512 1HB ARG 33 HB2 ARG 33 15.421 16.041 5.112 513 2HB ARG 33 HB1 ARG 33 15.664 15.761 6.831 514 1HG ARG 33 HG2 ARG 33 17.447 14.458 6.490 515 2HG ARG 33 HG1 ARG 33 16.695 13.621 5.129 516 1HD ARG 33 HD2 ARG 33 18.489 14.741 4.156 517 2HD ARG 33 HD1 ARG 33 17.115 15.795 3.827 518 HE ARG 33 HE ARG 33 18.145 16.736 6.170 519 1HH1 ARG 33 HH11 ARG 33 19.445 16.147 2.985 520 2HH1 ARG 33 HH12 ARG 33 20.622 17.412 3.095 521 1HH2 ARG 33 HH21 ARG 33 19.690 18.402 6.316 522 2HH2 ARG 33 HH22 ARG 33 20.761 18.692 4.986 Start of MODEL 50 1 H CYS 1 HT1 CYS 1 1.387 20.981 -4.232 2 HA CYS 1 HA CYS 1 1.515 22.733 -2.652 3 1HB CYS 1 HB2 CYS 1 -0.583 21.054 -1.358 4 2HB CYS 1 HB1 CYS 1 0.524 21.933 -0.307 5 HG CYS 1 HG CYS 1 -1.594 23.217 -2.150 6 H GLY 2 HN GLY 2 2.563 22.381 -0.297 7 1HA GLY 2 HA2 GLY 2 3.752 20.545 0.958 8 2HA GLY 2 HA1 GLY 2 4.396 20.081 -0.612 9 H GLY 3 HN GLY 3 5.145 21.639 2.176 10 1HA GLY 3 HA2 GLY 3 6.439 23.987 1.507 11 2HA GLY 3 HA1 GLY 3 6.995 22.886 2.762 12 H ASP 4 HN ASP 4 7.332 20.712 0.797 13 HA ASP 4 HA ASP 4 9.848 21.631 -0.409 14 1HB ASP 4 HB2 ASP 4 9.060 19.142 0.985 15 2HB ASP 4 HB1 ASP 4 10.112 18.947 -0.413 16 H ASN 5 HN ASN 5 6.731 20.421 -1.047 17 HA ASN 5 HA ASN 5 5.608 20.065 -3.001 18 1HB ASN 5 HB2 ASN 5 7.898 21.486 -3.872 19 2HB ASN 5 HB1 ASN 5 7.748 20.096 -4.942 20 1HD2 ASN 5 HD21 ASN 5 4.966 19.833 -4.913 21 2HD2 ASN 5 HD22 ASN 5 4.281 21.187 -5.741 22 H ILE 6 HN ILE 6 6.942 18.148 -1.363 23 HA ILE 6 HA ILE 6 6.841 15.842 -3.121 24 HB ILE 6 HB ILE 6 9.165 15.982 -1.253 25 1HG1 ILE 6 HG12 ILE 6 9.269 17.074 -4.070 26 2HG1 ILE 6 HG11 ILE 6 9.252 18.069 -2.616 27 1HG2 ILE 6 HG21 ILE 6 10.161 14.463 -2.887 28 2HG2 ILE 6 HG22 ILE 6 8.735 14.632 -3.911 29 3HG2 ILE 6 HG23 ILE 6 8.597 13.879 -2.323 30 1HD1 ILE 6 HD11 ILE 6 11.422 17.754 -2.249 31 2HD1 ILE 6 HD12 ILE 6 11.481 17.187 -3.918 32 3HD1 ILE 6 HD13 ILE 6 11.330 16.027 -2.597 33 H GLU 7 HN GLU 7 7.796 16.910 0.101 34 HA GLU 7 HA GLU 7 7.039 14.725 1.603 35 1HB GLU 7 HB2 GLU 7 8.034 17.241 2.122 36 2HB GLU 7 HB1 GLU 7 6.443 17.305 2.872 37 1HG GLU 7 HG2 GLU 7 7.000 15.224 4.105 38 2HG GLU 7 HG1 GLU 7 8.630 15.321 3.442 39 H GLN 8 HN GLN 8 5.088 17.159 0.098 40 HA GLN 8 HA GLN 8 2.698 16.553 1.590 41 1HB GLN 8 HB2 GLN 8 2.983 18.800 0.763 42 2HB GLN 8 HB1 GLN 8 3.206 18.221 -0.882 43 1HG GLN 8 HG2 GLN 8 1.024 19.080 -0.788 44 2HG GLN 8 HG1 GLN 8 0.845 17.327 -0.745 45 1HE2 GLN 8 HE21 GLN 8 0.709 16.383 1.482 46 2HE2 GLN 8 HE22 GLN 8 -0.231 17.245 2.647 47 H LYS 9 HN LYS 9 3.995 15.897 -1.624 48 HA LYS 9 HA LYS 9 1.792 14.557 -2.697 49 1HB LYS 9 HB2 LYS 9 3.701 15.302 -4.047 50 2HB LYS 9 HB1 LYS 9 4.730 14.114 -3.258 51 1HG LYS 9 HG2 LYS 9 3.194 12.340 -4.162 52 2HG LYS 9 HG1 LYS 9 2.428 13.608 -5.123 53 1HD LYS 9 HD2 LYS 9 5.357 13.540 -5.300 54 2HD LYS 9 HD1 LYS 9 4.549 12.104 -5.933 55 1HE LYS 9 HE2 LYS 9 3.710 14.887 -6.695 56 2HE LYS 9 HE1 LYS 9 4.974 14.017 -7.563 57 1HZ LYS 9 HZ1 LYS 9 2.399 12.683 -7.138 58 2HZ LYS 9 HZ2 LYS 9 3.493 12.528 -8.418 59 3HZ LYS 9 HZ3 LYS 9 2.493 13.889 -8.322 60 H ILE 10 HN ILE 10 4.365 13.452 -0.578 61 HA ILE 10 HA ILE 10 3.746 10.679 -0.841 62 HB ILE 10 HB ILE 10 5.067 10.424 1.277 63 1HG1 ILE 10 HG12 ILE 10 5.721 13.345 0.867 64 2HG1 ILE 10 HG11 ILE 10 4.612 12.753 2.100 65 1HG2 ILE 10 HG21 ILE 10 6.314 11.820 -1.080 66 2HG2 ILE 10 HG22 ILE 10 6.111 10.083 -0.850 67 3HG2 ILE 10 HG23 ILE 10 7.226 10.984 0.177 68 1HD1 ILE 10 HD11 ILE 10 6.905 13.227 2.916 69 2HD1 ILE 10 HD12 ILE 10 7.487 11.913 1.893 70 3HD1 ILE 10 HD13 ILE 10 6.359 11.575 3.206 71 H ASP 11 HN ASP 11 2.906 13.176 1.553 72 HA ASP 11 HA ASP 11 1.636 11.635 3.448 73 1HB ASP 11 HB2 ASP 11 1.155 14.413 2.429 74 2HB ASP 11 HB1 ASP 11 0.030 13.715 3.591 75 H ASP 12 HN ASP 12 0.539 12.616 0.289 76 HA ASP 12 HA ASP 12 -2.161 11.763 0.568 77 1HB ASP 12 HB2 ASP 12 -0.868 13.224 -1.299 78 2HB ASP 12 HB1 ASP 12 -0.899 11.664 -2.118 79 H ILE 13 HN ILE 13 0.756 10.286 -0.788 80 HA ILE 13 HA ILE 13 -0.407 7.860 -1.587 81 HB ILE 13 HB ILE 13 2.434 8.268 -0.641 82 1HG1 ILE 13 HG12 ILE 13 1.238 8.614 -3.401 83 2HG1 ILE 13 HG11 ILE 13 1.856 9.902 -2.374 84 1HG2 ILE 13 HG21 ILE 13 1.073 5.953 -1.433 85 2HG2 ILE 13 HG22 ILE 13 2.811 6.157 -1.218 86 3HG2 ILE 13 HG23 ILE 13 2.085 6.407 -2.805 87 1HD1 ILE 13 HD11 ILE 13 3.860 9.633 -3.254 88 2HD1 ILE 13 HD12 ILE 13 3.244 8.327 -4.265 89 3HD1 ILE 13 HD13 ILE 13 3.904 7.970 -2.668 90 H ASP 14 HN ASP 14 1.245 8.765 1.434 91 HA ASP 14 HA ASP 14 1.247 6.380 2.776 92 1HB ASP 14 HB2 ASP 14 1.873 8.916 3.457 93 2HB ASP 14 HB1 ASP 14 0.389 8.714 4.385 94 H HIS 15 HN HIS 15 -1.471 8.532 2.224 95 HA HIS 15 HA HIS 15 -3.247 7.151 3.999 96 1HB HIS 15 HB2 HIS 15 -3.354 9.597 3.004 97 2HB HIS 15 HB1 HIS 15 -4.242 8.799 1.711 98 HD1 HIS 15 HD1 HIS 15 -5.195 6.888 4.462 99 HD2 HIS 15 HD2 HIS 15 -6.096 10.763 3.263 100 HE1 HIS 15 HE1 HIS 15 -7.334 7.478 5.645 101 HE2 HIS 15 HE2 HIS 15 -7.811 9.859 4.976 102 H GLU 16 HN GLU 16 -2.296 6.867 0.671 103 HA GLU 16 HA GLU 16 -4.482 5.110 -0.011 104 1HB GLU 16 HB2 GLU 16 -2.012 5.576 -1.663 105 2HB GLU 16 HB1 GLU 16 -3.616 5.108 -2.210 106 1HG GLU 16 HG2 GLU 16 -3.309 7.720 -0.829 107 2HG GLU 16 HG1 GLU 16 -2.711 7.568 -2.481 108 H ILE 17 HN ILE 17 -1.121 4.865 0.899 109 HA ILE 17 HA ILE 17 -0.670 2.182 0.172 110 HB ILE 17 HB ILE 17 0.618 3.661 2.469 111 1HG1 ILE 17 HG12 ILE 17 1.818 3.508 -0.264 112 2HG1 ILE 17 HG11 ILE 17 0.593 4.727 0.060 113 1HG2 ILE 17 HG21 ILE 17 2.171 1.771 0.850 114 2HG2 ILE 17 HG22 ILE 17 0.869 1.046 1.795 115 3HG2 ILE 17 HG23 ILE 17 2.120 1.997 2.598 116 1HD1 ILE 17 HD11 ILE 17 2.192 6.021 0.865 117 2HD1 ILE 17 HD12 ILE 17 3.375 4.721 0.719 118 3HD1 ILE 17 HD13 ILE 17 2.407 4.872 2.186 119 H ALA 18 HN ALA 18 -2.099 3.705 2.977 120 HA ALA 18 HA ALA 18 -2.156 1.317 4.572 121 1HB ALA 18 HB1 ALA 18 -2.884 4.129 4.897 122 2HB ALA 18 HB2 ALA 18 -2.232 2.982 6.067 123 3HB ALA 18 HB3 ALA 18 -3.963 3.010 5.732 124 H ASP 19 HN ASP 19 -4.470 3.093 2.567 125 HA ASP 19 HA ASP 19 -6.807 1.770 3.244 126 1HB ASP 19 HB2 ASP 19 -6.179 3.703 1.459 127 2HB ASP 19 HB1 ASP 19 -6.446 2.350 0.365 128 H LEU 20 HN LEU 20 -4.349 0.841 0.867 129 HA LEU 20 HA LEU 20 -5.715 -1.454 -0.074 130 1HB LEU 20 HB2 LEU 20 -2.732 -1.091 -0.092 131 2HB LEU 20 HB1 LEU 20 -3.715 -2.015 -1.211 132 HG LEU 20 HG LEU 20 -3.425 0.970 -1.027 133 1HD1 LEU 20 HD11 LEU 20 -2.994 0.605 -3.500 134 2HD1 LEU 20 HD12 LEU 20 -2.891 -1.113 -3.117 135 3HD1 LEU 20 HD13 LEU 20 -1.760 0.022 -2.382 136 1HD2 LEU 20 HD21 LEU 20 -5.826 0.382 -1.234 137 2HD2 LEU 20 HD22 LEU 20 -5.441 -0.521 -2.699 138 3HD2 LEU 20 HD23 LEU 20 -5.186 1.222 -2.646 139 H GLN 21 HN GLN 21 -2.976 -1.124 2.184 140 HA GLN 21 HA GLN 21 -2.618 -3.772 2.838 141 1HB GLN 21 HB2 GLN 21 -1.325 -1.661 3.601 142 2HB GLN 21 HB1 GLN 21 -2.461 -1.632 4.942 143 1HG GLN 21 HG2 GLN 21 -1.751 -3.836 5.636 144 2HG GLN 21 HG1 GLN 21 -0.673 -3.950 4.246 145 1HE2 GLN 21 HE21 GLN 21 0.834 -4.391 6.088 146 2HE2 GLN 21 HE22 GLN 21 1.641 -3.033 6.790 147 H ALA 22 HN ALA 22 -5.138 -1.598 3.897 148 HA ALA 22 HA ALA 22 -6.074 -3.251 6.035 149 1HB ALA 22 HB1 ALA 22 -7.612 -1.621 6.435 150 2HB ALA 22 HB2 ALA 22 -7.900 -1.315 4.723 151 3HB ALA 22 HB3 ALA 22 -6.449 -0.682 5.500 152 H LYS 23 HN LYS 23 -6.797 -2.940 2.619 153 HA LYS 23 HA LYS 23 -9.174 -4.509 2.667 154 1HB LYS 23 HB2 LYS 23 -7.314 -3.621 0.476 155 2HB LYS 23 HB1 LYS 23 -8.674 -4.689 0.151 156 1HG LYS 23 HG2 LYS 23 -10.216 -3.053 0.469 157 2HG LYS 23 HG1 LYS 23 -9.227 -2.196 1.653 158 1HD LYS 23 HD2 LYS 23 -7.680 -1.694 -0.360 159 2HD LYS 23 HD1 LYS 23 -9.085 -2.123 -1.339 160 1HE LYS 23 HE2 LYS 23 -9.217 -0.092 0.874 161 2HE LYS 23 HE1 LYS 23 -8.776 0.339 -0.777 162 1HZ LYS 23 HZ1 LYS 23 -11.326 -0.926 0.075 163 2HZ LYS 23 HZ2 LYS 23 -10.903 -0.570 -1.524 164 3HZ LYS 23 HZ3 LYS 23 -11.124 0.683 -0.409 165 H ARG 24 HN ARG 24 -5.765 -5.234 2.299 166 HA ARG 24 HA ARG 24 -6.123 -7.910 1.372 167 1HB ARG 24 HB2 ARG 24 -4.051 -6.691 0.958 168 2HB ARG 24 HB1 ARG 24 -3.746 -6.578 2.686 169 1HG ARG 24 HG2 ARG 24 -2.901 -8.645 2.795 170 2HG ARG 24 HG1 ARG 24 -4.134 -9.312 1.724 171 1HD ARG 24 HD2 ARG 24 -2.684 -7.779 0.002 172 2HD ARG 24 HD1 ARG 24 -1.437 -8.325 1.122 173 HE ARG 24 HE ARG 24 -2.844 -9.912 -0.808 174 1HH1 ARG 24 HH11 ARG 24 -1.125 -9.987 2.228 175 2HH1 ARG 24 HH12 ARG 24 -0.684 -11.654 2.080 176 1HH2 ARG 24 HH21 ARG 24 -2.265 -12.105 -1.004 177 2HH2 ARG 24 HH22 ARG 24 -1.331 -12.857 0.245 178 H THR 25 HN THR 25 -5.498 -6.475 4.558 179 HA THR 25 HA THR 25 -5.220 -8.880 5.978 180 HB THR 25 HB THR 25 -6.483 -6.598 7.371 181 HG1 THR 25 HG1 THR 25 -5.023 -5.177 6.863 182 1HG2 THR 25 HG21 THR 25 -4.103 -8.350 7.878 183 2HG2 THR 25 HG22 THR 25 -5.614 -8.258 8.784 184 3HG2 THR 25 HG23 THR 25 -4.465 -6.922 8.848 185 H ARG 26 HN ARG 26 -8.072 -6.761 5.652 186 HA ARG 26 HA ARG 26 -9.886 -8.216 7.119 187 1HB ARG 26 HB2 ARG 26 -11.640 -7.199 5.729 188 2HB ARG 26 HB1 ARG 26 -10.408 -6.028 6.181 189 1HG ARG 26 HG2 ARG 26 -9.392 -6.231 3.976 190 2HG ARG 26 HG1 ARG 26 -10.611 -7.422 3.520 191 1HD ARG 26 HD2 ARG 26 -11.136 -5.176 2.667 192 2HD ARG 26 HD1 ARG 26 -12.365 -5.774 3.781 193 HE ARG 26 HE ARG 26 -10.350 -4.150 5.035 194 1HH1 ARG 26 HH11 ARG 26 -13.402 -4.131 3.340 195 2HH1 ARG 26 HH12 ARG 26 -13.898 -2.607 3.998 196 1HH2 ARG 26 HH21 ARG 26 -11.003 -2.147 5.898 197 2HH2 ARG 26 HH22 ARG 26 -12.537 -1.480 5.449 198 H LEU 27 HN LEU 27 -8.960 -8.662 3.737 199 HA LEU 27 HA LEU 27 -10.774 -10.755 3.185 200 1HB LEU 27 HB2 LEU 27 -8.374 -9.607 1.903 201 2HB LEU 27 HB1 LEU 27 -8.711 -11.282 1.505 202 HG LEU 27 HG LEU 27 -11.166 -10.198 1.137 203 1HD1 LEU 27 HD11 LEU 27 -10.327 -7.934 1.616 204 2HD1 LEU 27 HD12 LEU 27 -10.944 -8.092 -0.029 205 3HD1 LEU 27 HD13 LEU 27 -9.205 -8.083 0.264 206 1HD2 LEU 27 HD21 LEU 27 -10.818 -10.572 -1.126 207 2HD2 LEU 27 HD22 LEU 27 -9.605 -11.603 -0.367 208 3HD2 LEU 27 HD23 LEU 27 -9.136 -10.049 -1.056 209 H VAL 28 HN VAL 28 -7.523 -10.677 4.543 210 HA VAL 28 HA VAL 28 -7.015 -13.451 4.447 211 HB VAL 28 HB VAL 28 -6.006 -11.515 6.526 212 1HG1 VAL 28 HG11 VAL 28 -4.770 -14.057 5.481 213 2HG1 VAL 28 HG12 VAL 28 -5.661 -13.922 6.997 214 3HG1 VAL 28 HG13 VAL 28 -4.154 -13.034 6.777 215 1HG2 VAL 28 HG21 VAL 28 -4.106 -12.040 4.455 216 2HG2 VAL 28 HG22 VAL 28 -4.784 -10.497 4.972 217 3HG2 VAL 28 HG23 VAL 28 -5.602 -11.450 3.734 218 H GLN 29 HN GLN 29 -8.469 -11.380 6.919 219 HA GLN 29 HA GLN 29 -8.815 -13.233 8.950 220 1HB GLN 29 HB2 GLN 29 -9.613 -10.621 8.495 221 2HB GLN 29 HB1 GLN 29 -11.138 -11.487 8.599 222 1HG GLN 29 HG2 GLN 29 -10.927 -11.855 10.799 223 2HG GLN 29 HG1 GLN 29 -9.196 -12.164 10.687 224 1HE2 GLN 29 HE21 GLN 29 -7.814 -10.247 10.367 225 2HE2 GLN 29 HE22 GLN 29 -8.259 -8.779 11.161 226 H GLN 30 HN GLN 30 -10.588 -12.756 5.979 227 HA GLN 30 HA GLN 30 -12.773 -14.467 6.600 228 1HB GLN 30 HB2 GLN 30 -12.543 -12.673 4.729 229 2HB GLN 30 HB1 GLN 30 -11.797 -13.968 3.805 230 1HG GLN 30 HG2 GLN 30 -13.744 -15.039 3.477 231 2HG GLN 30 HG1 GLN 30 -14.357 -14.642 5.082 232 1HE2 GLN 30 HE21 GLN 30 -14.066 -13.607 1.781 233 2HE2 GLN 30 HE22 GLN 30 -15.215 -12.319 1.867 234 H HIS 31 HN HIS 31 -9.553 -14.947 5.319 235 HA HIS 31 HA HIS 31 -9.939 -17.826 5.565 236 1HB HIS 31 HB2 HIS 31 -8.961 -18.321 3.389 237 2HB HIS 31 HB1 HIS 31 -10.419 -17.355 3.201 238 HD1 HIS 31 HD1 HIS 31 -9.841 -14.649 2.952 239 HD2 HIS 31 HD2 HIS 31 -6.881 -17.380 1.945 240 HE1 HIS 31 HE1 HIS 31 -8.253 -13.402 1.460 241 HE2 HIS 31 HE2 HIS 31 -6.374 -15.021 1.029 242 HA PRO 32 HA PRO 32 -5.904 -16.412 7.294 243 1HB PRO 32 HB2 PRO 32 -6.019 -17.923 9.532 244 2HB PRO 32 HB1 PRO 32 -6.822 -16.353 9.408 245 1HG PRO 32 HG2 PRO 32 -7.977 -19.100 9.110 246 2HG PRO 32 HG1 PRO 32 -8.634 -17.698 9.975 247 1HD PRO 32 HD2 PRO 32 -9.469 -18.427 7.494 248 2HD PRO 32 HD1 PRO 32 -9.460 -16.742 8.052 249 H ARG 33 HN ARG 33 -5.667 -17.948 5.200 250 HA ARG 33 HA ARG 33 -3.756 -19.939 5.990 251 1HB ARG 33 HB2 ARG 33 -6.453 -20.711 5.006 252 2HB ARG 33 HB1 ARG 33 -5.079 -21.610 4.377 253 1HG ARG 33 HG2 ARG 33 -5.039 -22.844 6.209 254 2HG ARG 33 HG1 ARG 33 -4.760 -21.401 7.185 255 1HD ARG 33 HD2 ARG 33 -6.703 -22.251 8.108 256 2HD ARG 33 HD1 ARG 33 -7.322 -21.063 6.962 257 HE ARG 33 HE ARG 33 -8.329 -22.764 5.832 258 1HH1 ARG 33 HH11 ARG 33 -5.756 -24.112 7.766 259 2HH1 ARG 33 HH12 ARG 33 -6.152 -25.751 7.376 260 1HH2 ARG 33 HH21 ARG 33 -8.851 -24.920 5.317 261 2HH2 ARG 33 HH22 ARG 33 -7.908 -26.211 5.984 262 H CYS 1 HN CYS 1 -5.188 -24.072 2.801 263 HA CYS 1 HA CYS 1 -3.860 -21.628 2.788 264 1HB CYS 1 HB2 CYS 1 -2.820 -23.625 0.795 265 2HB CYS 1 HB1 CYS 1 -2.767 -21.898 0.462 266 HG CYS 1 HG CYS 1 -1.260 -21.711 2.682 267 H GLY 2 HN GLY 2 -4.798 -20.135 1.366 268 1HA GLY 2 HA2 GLY 2 -7.442 -20.644 0.597 269 2HA GLY 2 HA1 GLY 2 -6.485 -19.266 0.074 270 H GLY 3 HN GLY 3 -5.169 -19.488 -1.839 271 1HA GLY 3 HA2 GLY 3 -5.063 -19.976 -4.092 272 2HA GLY 3 HA1 GLY 3 -4.899 -21.627 -3.513 273 H ASP 4 HN ASP 4 -7.716 -19.508 -3.267 274 HA ASP 4 HA ASP 4 -9.176 -21.366 -5.022 275 1HB ASP 4 HB2 ASP 4 -9.863 -21.730 -2.727 276 2HB ASP 4 HB1 ASP 4 -10.116 -20.002 -2.488 277 H ASN 5 HN ASN 5 -10.326 -18.434 -3.475 278 HA ASN 5 HA ASN 5 -10.290 -16.983 -6.010 279 1HB ASN 5 HB2 ASN 5 -12.566 -18.240 -5.382 280 2HB ASN 5 HB1 ASN 5 -12.790 -16.800 -4.391 281 1HD2 ASN 5 HD21 ASN 5 -11.413 -17.373 -7.611 282 2HD2 ASN 5 HD22 ASN 5 -12.409 -16.222 -8.428 283 H ILE 6 HN ILE 6 -11.015 -16.957 -2.553 284 HA ILE 6 HA ILE 6 -10.880 -14.165 -2.172 285 HB ILE 6 HB ILE 6 -10.009 -16.103 -0.053 286 1HG1 ILE 6 HG12 ILE 6 -12.809 -15.710 -1.115 287 2HG1 ILE 6 HG11 ILE 6 -11.936 -17.222 -0.883 288 1HG2 ILE 6 HG21 ILE 6 -11.007 -14.534 1.442 289 2HG2 ILE 6 HG22 ILE 6 -11.712 -13.631 0.102 290 3HG2 ILE 6 HG23 ILE 6 -9.963 -13.661 0.321 291 1HD1 ILE 6 HD11 ILE 6 -12.038 -16.097 1.646 292 2HD1 ILE 6 HD12 ILE 6 -13.027 -17.423 1.032 293 3HD1 ILE 6 HD13 ILE 6 -13.622 -15.765 0.947 294 H GLU 7 HN GLU 7 -8.526 -16.754 -1.714 295 HA GLU 7 HA GLU 7 -6.351 -15.225 -0.891 296 1HB GLU 7 HB2 GLU 7 -6.772 -17.869 -1.301 297 2HB GLU 7 HB1 GLU 7 -5.738 -17.500 -2.675 298 1HG GLU 7 HG2 GLU 7 -4.705 -16.314 -0.263 299 2HG GLU 7 HG1 GLU 7 -4.950 -18.047 -0.062 300 H GLN 8 HN GLN 8 -7.600 -15.837 -4.108 301 HA GLN 8 HA GLN 8 -5.352 -14.722 -5.483 302 1HB GLN 8 HB2 GLN 8 -6.971 -16.358 -6.482 303 2HB GLN 8 HB1 GLN 8 -8.173 -15.075 -6.507 304 1HG GLN 8 HG2 GLN 8 -6.072 -13.897 -7.781 305 2HG GLN 8 HG1 GLN 8 -5.917 -15.578 -8.291 306 1HE2 GLN 8 HE21 GLN 8 -7.394 -12.663 -8.905 307 2HE2 GLN 8 HE22 GLN 8 -8.657 -13.212 -9.947 308 H LYS 9 HN LYS 9 -8.426 -13.526 -4.292 309 HA LYS 9 HA LYS 9 -8.452 -11.042 -5.587 310 1HB LYS 9 HB2 LYS 9 -9.965 -12.366 -3.558 311 2HB LYS 9 HB1 LYS 9 -9.599 -10.739 -3.003 312 1HG LYS 9 HG2 LYS 9 -10.382 -10.299 -5.582 313 2HG LYS 9 HG1 LYS 9 -11.414 -11.647 -5.099 314 1HD LYS 9 HD2 LYS 9 -11.556 -10.025 -2.910 315 2HD LYS 9 HD1 LYS 9 -11.427 -8.849 -4.220 316 1HE LYS 9 HE2 LYS 9 -13.325 -9.868 -5.346 317 2HE LYS 9 HE1 LYS 9 -13.431 -11.101 -4.091 318 1HZ LYS 9 HZ1 LYS 9 -14.930 -9.680 -3.240 319 2HZ LYS 9 HZ2 LYS 9 -14.301 -8.333 -4.046 320 3HZ LYS 9 HZ3 LYS 9 -13.568 -8.885 -2.626 321 H ILE 10 HN ILE 10 -7.021 -12.057 -2.517 322 HA ILE 10 HA ILE 10 -6.146 -9.450 -1.787 323 HB ILE 10 HB ILE 10 -4.598 -10.661 -0.220 324 1HG1 ILE 10 HG12 ILE 10 -6.133 -13.109 -1.111 325 2HG1 ILE 10 HG11 ILE 10 -4.473 -12.757 -1.586 326 1HG2 ILE 10 HG21 ILE 10 -6.438 -11.413 1.250 327 2HG2 ILE 10 HG22 ILE 10 -7.546 -11.262 -0.114 328 3HG2 ILE 10 HG23 ILE 10 -6.729 -9.834 0.522 329 1HD1 ILE 10 HD11 ILE 10 -3.823 -12.793 0.787 330 2HD1 ILE 10 HD12 ILE 10 -4.485 -14.329 0.225 331 3HD1 ILE 10 HD13 ILE 10 -5.476 -13.246 1.203 332 H ASP 11 HN ASP 11 -4.565 -12.203 -3.383 333 HA ASP 11 HA ASP 11 -1.963 -11.329 -3.479 334 1HB ASP 11 HB2 ASP 11 -2.989 -13.477 -4.455 335 2HB ASP 11 HB1 ASP 11 -3.307 -12.522 -5.900 336 H ASP 12 HN ASP 12 -4.719 -10.231 -5.311 337 HA ASP 12 HA ASP 12 -3.286 -8.619 -7.170 338 1HB ASP 12 HB2 ASP 12 -6.123 -8.965 -6.363 339 2HB ASP 12 HB1 ASP 12 -5.703 -7.419 -7.095 340 H ILE 13 HN ILE 13 -5.033 -7.914 -4.164 341 HA ILE 13 HA ILE 13 -4.487 -5.171 -4.052 342 HB ILE 13 HB ILE 13 -4.772 -7.024 -1.682 343 1HG1 ILE 13 HG12 ILE 13 -6.902 -5.600 -3.295 344 2HG1 ILE 13 HG11 ILE 13 -6.639 -7.341 -3.233 345 1HG2 ILE 13 HG21 ILE 13 -5.905 -4.357 -1.477 346 2HG2 ILE 13 HG22 ILE 13 -4.165 -4.332 -1.763 347 3HG2 ILE 13 HG23 ILE 13 -4.818 -5.213 -0.383 348 1HD1 ILE 13 HD11 ILE 13 -8.532 -6.356 -1.836 349 2HD1 ILE 13 HD12 ILE 13 -7.261 -5.771 -0.762 350 3HD1 ILE 13 HD13 ILE 13 -7.441 -7.501 -1.054 351 H ASP 14 HN ASP 14 -2.727 -7.923 -2.644 352 HA ASP 14 HA ASP 14 -0.737 -6.629 -1.277 353 1HB ASP 14 HB2 ASP 14 -1.243 -9.225 -1.887 354 2HB ASP 14 HB1 ASP 14 0.184 -8.936 -2.876 355 H HIS 15 HN HIS 15 -1.049 -7.072 -4.741 356 HA HIS 15 HA HIS 15 1.601 -6.174 -5.357 357 1HB HIS 15 HB2 HIS 15 0.089 -7.628 -6.823 358 2HB HIS 15 HB1 HIS 15 -0.765 -6.141 -7.228 359 HD1 HIS 15 HD1 HIS 15 2.413 -4.856 -7.024 360 HD2 HIS 15 HD2 HIS 15 0.662 -7.499 -9.710 361 HE1 HIS 15 HE1 HIS 15 3.822 -4.732 -9.103 362 HE2 HIS 15 HE2 HIS 15 2.796 -6.405 -10.682 363 H GLU 16 HN GLU 16 -1.489 -4.694 -4.811 364 HA GLU 16 HA GLU 16 -0.681 -2.149 -5.920 365 1HB GLU 16 HB2 GLU 16 -3.137 -2.671 -4.259 366 2HB GLU 16 HB1 GLU 16 -2.884 -1.408 -5.457 367 1HG GLU 16 HG2 GLU 16 -3.089 -2.909 -7.244 368 2HG GLU 16 HG1 GLU 16 -2.881 -4.313 -6.196 369 H ILE 17 HN ILE 17 -1.040 -3.660 -2.784 370 HA ILE 17 HA ILE 17 -0.813 -1.370 -1.170 371 HB ILE 17 HB ILE 17 0.155 -4.145 -0.473 372 1HG1 ILE 17 HG12 ILE 17 -2.570 -3.143 0.238 373 2HG1 ILE 17 HG11 ILE 17 -2.301 -3.779 -1.380 374 1HG2 ILE 17 HG21 ILE 17 -0.242 -1.645 1.013 375 2HG2 ILE 17 HG22 ILE 17 0.802 -3.023 1.362 376 3HG2 ILE 17 HG23 ILE 17 -0.910 -3.083 1.784 377 1HD1 ILE 17 HD11 ILE 17 -2.627 -5.810 -0.580 378 2HD1 ILE 17 HD12 ILE 17 -2.744 -5.180 1.063 379 3HD1 ILE 17 HD13 ILE 17 -1.173 -5.631 0.401 380 H ALA 18 HN ALA 18 1.537 -3.383 -2.789 381 HA ALA 18 HA ALA 18 3.805 -2.238 -1.426 382 1HB ALA 18 HB1 ALA 18 3.316 -4.460 -3.195 383 2HB ALA 18 HB2 ALA 18 4.661 -4.180 -2.090 384 3HB ALA 18 HB3 ALA 18 4.717 -3.530 -3.729 385 H ASP 19 HN ASP 19 2.191 -1.857 -4.540 386 HA ASP 19 HA ASP 19 4.054 -0.304 -5.880 387 1HB ASP 19 HB2 ASP 19 1.874 -1.228 -6.783 388 2HB ASP 19 HB1 ASP 19 1.071 0.141 -6.020 389 H LEU 20 HN LEU 20 1.551 0.705 -3.585 390 HA LEU 20 HA LEU 20 2.113 3.488 -3.809 391 1HB LEU 20 HB2 LEU 20 0.841 2.183 -1.426 392 2HB LEU 20 HB1 LEU 20 0.588 3.805 -2.043 393 HG LEU 20 HG LEU 20 -0.429 1.218 -3.192 394 1HD1 LEU 20 HD11 LEU 20 -1.824 2.030 -1.466 395 2HD1 LEU 20 HD12 LEU 20 -2.601 2.469 -2.986 396 3HD1 LEU 20 HD13 LEU 20 -1.719 3.685 -2.064 397 1HD2 LEU 20 HD21 LEU 20 0.048 3.819 -4.505 398 2HD2 LEU 20 HD22 LEU 20 -1.520 3.067 -4.798 399 3HD2 LEU 20 HD23 LEU 20 -0.037 2.196 -5.192 400 H GLN 21 HN GLN 21 2.861 1.084 -1.290 401 HA GLN 21 HA GLN 21 4.299 2.695 0.430 402 1HB GLN 21 HB2 GLN 21 3.635 0.107 0.458 403 2HB GLN 21 HB1 GLN 21 5.319 -0.062 -0.020 404 1HG GLN 21 HG2 GLN 21 4.754 1.711 2.276 405 2HG GLN 21 HG1 GLN 21 4.519 -0.020 2.520 406 1HE2 GLN 21 HE21 GLN 21 6.446 1.529 3.850 407 2HE2 GLN 21 HE22 GLN 21 8.010 0.970 3.375 408 H ALA 22 HN ALA 22 5.343 1.164 -2.552 409 HA ALA 22 HA ALA 22 8.117 1.727 -2.213 410 1HB ALA 22 HB1 ALA 22 8.384 0.983 -4.469 411 2HB ALA 22 HB2 ALA 22 6.666 1.207 -4.802 412 3HB ALA 22 HB3 ALA 22 7.192 -0.059 -3.692 413 H LYS 23 HN LYS 23 5.399 3.462 -3.557 414 HA LYS 23 HA LYS 23 6.965 5.436 -4.915 415 1HB LYS 23 HB2 LYS 23 4.133 4.856 -4.493 416 2HB LYS 23 HB1 LYS 23 4.485 6.578 -4.482 417 1HG LYS 23 HG2 LYS 23 4.777 6.632 -6.685 418 2HG LYS 23 HG1 LYS 23 5.817 5.206 -6.662 419 1HD LYS 23 HD2 LYS 23 4.110 4.261 -7.793 420 2HD LYS 23 HD1 LYS 23 3.411 4.069 -6.185 421 1HE LYS 23 HE2 LYS 23 1.842 5.040 -7.847 422 2HE LYS 23 HE1 LYS 23 2.117 6.071 -6.444 423 1HZ LYS 23 HZ1 LYS 23 2.247 6.945 -8.944 424 2HZ LYS 23 HZ2 LYS 23 3.868 6.519 -8.719 425 3HZ LYS 23 HZ3 LYS 23 3.135 7.633 -7.680 426 H ARG 24 HN ARG 24 5.492 5.151 -1.743 427 HA ARG 24 HA ARG 24 5.836 7.858 -0.970 428 1HB ARG 24 HB2 ARG 24 4.249 6.421 0.175 429 2HB ARG 24 HB1 ARG 24 5.545 5.354 0.695 430 1HG ARG 24 HG2 ARG 24 5.998 6.612 2.470 431 2HG ARG 24 HG1 ARG 24 6.011 8.094 1.513 432 1HD ARG 24 HD2 ARG 24 3.369 7.588 1.554 433 2HD ARG 24 HD1 ARG 24 3.839 6.867 3.092 434 HE ARG 24 HE ARG 24 3.648 9.635 2.508 435 1HH1 ARG 24 HH11 ARG 24 5.537 7.326 4.320 436 2HH1 ARG 24 HH12 ARG 24 6.024 8.476 5.518 437 1HH2 ARG 24 HH21 ARG 24 4.289 11.150 4.082 438 2HH2 ARG 24 HH22 ARG 24 5.316 10.648 5.383 439 H THR 25 HN THR 25 7.796 4.941 -0.472 440 HA THR 25 HA THR 25 9.771 6.191 1.125 441 HB THR 25 HB THR 25 10.617 3.914 -0.547 442 HG1 THR 25 HG1 THR 25 9.256 2.475 0.590 443 1HG2 THR 25 HG21 THR 25 11.613 4.895 1.686 444 2HG2 THR 25 HG22 THR 25 11.675 3.173 1.315 445 3HG2 THR 25 HG23 THR 25 10.437 3.796 2.406 446 H ARG 26 HN ARG 26 9.926 5.155 -2.296 447 HA ARG 26 HA ARG 26 12.376 6.189 -2.958 448 1HB ARG 26 HB2 ARG 26 11.613 6.299 -5.263 449 2HB ARG 26 HB1 ARG 26 10.993 4.849 -4.491 450 1HG ARG 26 HG2 ARG 26 8.950 5.411 -5.110 451 2HG ARG 26 HG1 ARG 26 9.058 6.864 -4.118 452 1HD ARG 26 HD2 ARG 26 8.498 7.510 -6.358 453 2HD ARG 26 HD1 ARG 26 10.151 8.019 -6.027 454 HE ARG 26 HE ARG 26 9.320 5.832 -7.792 455 1HH1 ARG 26 HH11 ARG 26 11.875 7.836 -6.493 456 2HH1 ARG 26 HH12 ARG 26 13.025 7.353 -7.692 457 1HH2 ARG 26 HH21 ARG 26 10.837 5.202 -9.361 458 2HH2 ARG 26 HH22 ARG 26 12.438 5.861 -9.318 459 H LEU 27 HN LEU 27 9.352 7.894 -2.540 460 HA LEU 27 HA LEU 27 10.255 10.382 -3.601 461 1HB LEU 27 HB2 LEU 27 7.871 9.366 -2.225 462 2HB LEU 27 HB1 LEU 27 8.259 11.029 -1.826 463 HG LEU 27 HG LEU 27 8.258 11.566 -4.259 464 1HD1 LEU 27 HD11 LEU 27 8.606 9.017 -4.777 465 2HD1 LEU 27 HD12 LEU 27 7.717 10.055 -5.890 466 3HD1 LEU 27 HD13 LEU 27 6.843 9.000 -4.780 467 1HD2 LEU 27 HD21 LEU 27 6.290 12.227 -3.297 468 2HD2 LEU 27 HD22 LEU 27 5.867 10.596 -2.778 469 3HD2 LEU 27 HD23 LEU 27 5.684 11.056 -4.470 470 H VAL 28 HN VAL 28 10.079 8.945 -0.375 471 HA VAL 28 HA VAL 28 10.894 11.178 1.108 472 HB VAL 28 HB VAL 28 11.546 8.303 1.732 473 1HG1 VAL 28 HG11 VAL 28 11.169 10.671 3.560 474 2HG1 VAL 28 HG12 VAL 28 12.723 9.975 3.098 475 3HG1 VAL 28 HG13 VAL 28 11.579 9.026 4.047 476 1HG2 VAL 28 HG21 VAL 28 9.383 7.899 2.041 477 2HG2 VAL 28 HG22 VAL 28 9.003 9.513 1.442 478 3HG2 VAL 28 HG23 VAL 28 9.272 9.253 3.165 479 H GLN 29 HN GLN 29 12.799 8.525 -0.282 480 HA GLN 29 HA GLN 29 15.322 9.279 0.565 481 1HB GLN 29 HB2 GLN 29 14.230 7.671 -1.645 482 2HB GLN 29 HB1 GLN 29 15.824 8.343 -1.964 483 1HG GLN 29 HG2 GLN 29 16.835 6.997 -0.483 484 2HG GLN 29 HG1 GLN 29 15.505 7.090 0.671 485 1HE2 GLN 29 HE21 GLN 29 14.770 5.138 1.073 486 2HE2 GLN 29 HE22 GLN 29 14.495 3.890 -0.090 487 H GLN 30 HN GLN 30 13.342 10.529 -2.034 488 HA GLN 30 HA GLN 30 15.330 12.138 -3.262 489 1HB GLN 30 HB2 GLN 30 12.995 11.408 -4.142 490 2HB GLN 30 HB1 GLN 30 12.405 12.818 -3.275 491 1HG GLN 30 HG2 GLN 30 14.218 14.099 -4.589 492 2HG GLN 30 HG1 GLN 30 14.223 12.685 -5.642 493 1HE2 GLN 30 HE21 GLN 30 13.155 15.649 -5.590 494 2HE2 GLN 30 HE22 GLN 30 11.623 15.489 -6.371 495 H HIS 31 HN HIS 31 13.223 12.553 -0.507 496 HA HIS 31 HA HIS 31 14.585 15.075 0.084 497 1HB HIS 31 HB2 HIS 31 12.511 16.196 0.703 498 2HB HIS 31 HB1 HIS 31 12.456 15.698 -0.983 499 HD1 HIS 31 HD1 HIS 31 11.012 13.465 -1.447 500 HD2 HIS 31 HD2 HIS 31 10.425 15.317 2.223 501 HE1 HIS 31 HE1 HIS 31 8.840 12.554 -0.573 502 HE2 HIS 31 HE2 HIS 31 8.600 13.563 1.722 503 HA PRO 32 HA PRO 32 14.432 12.194 3.719 504 1HB PRO 32 HB2 PRO 32 16.975 12.745 4.532 505 2HB PRO 32 HB1 PRO 32 16.583 11.488 3.354 506 1HG PRO 32 HG2 PRO 32 17.570 14.275 2.893 507 2HG PRO 32 HG1 PRO 32 18.062 12.769 2.099 508 1HD PRO 32 HD2 PRO 32 16.357 14.514 0.945 509 2HD PRO 32 HD1 PRO 32 16.228 12.760 0.697 510 H ARG 33 HN ARG 33 15.412 15.531 3.305 511 HA ARG 33 HA ARG 33 14.899 16.075 6.141 512 1HB ARG 33 HB2 ARG 33 16.307 17.618 3.974 513 2HB ARG 33 HB1 ARG 33 15.814 18.386 5.477 514 1HG ARG 33 HG2 ARG 33 17.743 17.730 6.346 515 2HG ARG 33 HG1 ARG 33 17.141 16.073 6.269 516 1HD ARG 33 HD2 ARG 33 19.374 16.442 5.190 517 2HD ARG 33 HD1 ARG 33 18.152 15.717 4.146 518 HE ARG 33 HE ARG 33 18.313 17.539 2.788 519 1HH1 ARG 33 HH11 ARG 33 19.579 18.396 5.925 520 2HH1 ARG 33 HH12 ARG 33 20.119 19.962 5.418 521 1HH2 ARG 33 HH21 ARG 33 19.021 19.597 2.119 522 2HH2 ARG 33 HH22 ARG 33 19.801 20.644 3.258 Start of MODEL 51 1 H CYS 1 HT1 CYS 1 5.039 27.756 -6.186 2 HA CYS 1 HA CYS 1 6.546 27.659 -4.237 3 1HB CYS 1 HB2 CYS 1 3.888 28.056 -4.495 4 2HB CYS 1 HB1 CYS 1 3.875 26.688 -3.388 5 HG CYS 1 HG CYS 1 4.711 29.537 -2.702 6 H GLY 2 HN GLY 2 7.637 26.413 -2.837 7 1HA GLY 2 HA2 GLY 2 7.141 23.515 -2.943 8 2HA GLY 2 HA1 GLY 2 8.650 24.275 -2.459 9 H GLY 3 HN GLY 3 9.065 24.065 -0.370 10 1HA GLY 3 HA2 GLY 3 8.775 23.994 1.908 11 2HA GLY 3 HA1 GLY 3 7.265 24.857 1.660 12 H ASP 4 HN ASP 4 8.746 21.651 1.651 13 HA ASP 4 HA ASP 4 7.929 19.594 2.182 14 1HB ASP 4 HB2 ASP 4 5.685 21.185 3.421 15 2HB ASP 4 HB1 ASP 4 5.987 19.472 3.689 16 H ASN 5 HN ASN 5 6.927 21.221 -0.237 17 HA ASN 5 HA ASN 5 4.336 20.506 -0.922 18 1HB ASN 5 HB2 ASN 5 6.151 21.969 -2.169 19 2HB ASN 5 HB1 ASN 5 6.468 20.462 -3.022 20 1HD2 ASN 5 HD21 ASN 5 3.527 22.076 -1.860 21 2HD2 ASN 5 HD22 ASN 5 2.707 22.045 -3.381 22 H ILE 6 HN ILE 6 7.269 18.657 -0.890 23 HA ILE 6 HA ILE 6 6.275 16.447 -2.414 24 HB ILE 6 HB ILE 6 8.574 16.412 -0.467 25 1HG1 ILE 6 HG12 ILE 6 9.375 16.757 -3.222 26 2HG1 ILE 6 HG11 ILE 6 8.322 18.077 -2.725 27 1HG2 ILE 6 HG21 ILE 6 8.113 14.825 -2.984 28 2HG2 ILE 6 HG22 ILE 6 7.751 14.254 -1.355 29 3HG2 ILE 6 HG23 ILE 6 9.416 14.613 -1.814 30 1HD1 ILE 6 HD11 ILE 6 10.464 18.829 -2.238 31 2HD1 ILE 6 HD12 ILE 6 10.970 17.266 -1.599 32 3HD1 ILE 6 HD13 ILE 6 9.847 18.270 -0.683 33 H GLU 7 HN GLU 7 6.778 17.135 1.018 34 HA GLU 7 HA GLU 7 5.986 14.696 2.090 35 1HB GLU 7 HB2 GLU 7 6.884 16.989 3.157 36 2HB GLU 7 HB1 GLU 7 5.177 17.154 3.544 37 1HG GLU 7 HG2 GLU 7 5.517 14.668 4.396 38 2HG GLU 7 HG1 GLU 7 7.179 15.229 4.567 39 H GLN 8 HN GLN 8 4.106 17.242 0.688 40 HA GLN 8 HA GLN 8 1.599 16.396 1.806 41 1HB GLN 8 HB2 GLN 8 2.199 18.746 0.981 42 2HB GLN 8 HB1 GLN 8 1.968 18.113 -0.643 43 1HG GLN 8 HG2 GLN 8 -0.270 17.447 1.043 44 2HG GLN 8 HG1 GLN 8 0.033 19.184 1.046 45 1HE2 GLN 8 HE21 GLN 8 -0.649 20.351 -0.624 46 2HE2 GLN 8 HE22 GLN 8 -1.279 19.711 -2.100 47 H LYS 9 HN LYS 9 3.274 16.058 -1.280 48 HA LYS 9 HA LYS 9 1.266 14.698 -2.676 49 1HB LYS 9 HB2 LYS 9 3.707 15.647 -3.336 50 2HB LYS 9 HB1 LYS 9 4.069 13.930 -3.238 51 1HG LYS 9 HG2 LYS 9 2.398 13.427 -4.889 52 2HG LYS 9 HG1 LYS 9 1.861 15.108 -4.910 53 1HD LYS 9 HD2 LYS 9 3.606 15.790 -6.182 54 2HD LYS 9 HD1 LYS 9 4.730 14.648 -5.440 55 1HE LYS 9 HE2 LYS 9 4.575 13.611 -7.436 56 2HE LYS 9 HE1 LYS 9 3.102 12.938 -6.737 57 1HZ LYS 9 HZ1 LYS 9 1.987 14.995 -7.739 58 2HZ LYS 9 HZ2 LYS 9 2.428 13.743 -8.787 59 3HZ LYS 9 HZ3 LYS 9 3.382 15.135 -8.687 60 H ILE 10 HN ILE 10 3.849 13.514 -0.572 61 HA ILE 10 HA ILE 10 3.346 10.764 -1.053 62 HB ILE 10 HB ILE 10 4.548 10.406 1.136 63 1HG1 ILE 10 HG12 ILE 10 5.146 13.359 0.919 64 2HG1 ILE 10 HG11 ILE 10 3.978 12.680 2.050 65 1HG2 ILE 10 HG21 ILE 10 6.735 11.025 0.185 66 2HG2 ILE 10 HG22 ILE 10 5.906 11.992 -1.035 67 3HG2 ILE 10 HG23 ILE 10 5.678 10.244 -0.990 68 1HD1 ILE 10 HD11 ILE 10 5.831 11.293 2.988 69 2HD1 ILE 10 HD12 ILE 10 5.997 13.033 3.230 70 3HD1 ILE 10 HD13 ILE 10 6.942 12.220 1.982 71 H ASP 11 HN ASP 11 2.242 13.026 1.454 72 HA ASP 11 HA ASP 11 0.958 11.314 3.176 73 1HB ASP 11 HB2 ASP 11 1.119 13.965 3.078 74 2HB ASP 11 HB1 ASP 11 -0.489 13.805 2.379 75 H ASP 12 HN ASP 12 -0.026 12.414 0.013 76 HA ASP 12 HA ASP 12 -2.675 11.390 0.070 77 1HB ASP 12 HB2 ASP 12 -0.807 12.399 -2.009 78 2HB ASP 12 HB1 ASP 12 -2.098 11.337 -2.564 79 H ILE 13 HN ILE 13 0.384 10.138 -1.211 80 HA ILE 13 HA ILE 13 -0.589 7.673 -2.127 81 HB ILE 13 HB ILE 13 2.178 8.216 -1.039 82 1HG1 ILE 13 HG12 ILE 13 1.084 8.598 -3.837 83 2HG1 ILE 13 HG11 ILE 13 1.580 9.880 -2.736 84 1HG2 ILE 13 HG21 ILE 13 2.033 6.422 -3.283 85 2HG2 ILE 13 HG22 ILE 13 0.998 5.856 -1.972 86 3HG2 ILE 13 HG23 ILE 13 2.710 6.155 -1.677 87 1HD1 ILE 13 HD11 ILE 13 3.649 7.882 -3.238 88 2HD1 ILE 13 HD12 ILE 13 3.735 9.644 -3.256 89 3HD1 ILE 13 HD13 ILE 13 3.137 8.776 -4.670 90 H ASP 14 HN ASP 14 0.854 8.587 0.993 91 HA ASP 14 HA ASP 14 0.946 6.166 2.267 92 1HB ASP 14 HB2 ASP 14 1.440 8.667 3.063 93 2HB ASP 14 HB1 ASP 14 -0.122 8.451 3.846 94 H HIS 15 HN HIS 15 -1.865 8.124 1.553 95 HA HIS 15 HA HIS 15 -3.648 6.623 3.229 96 1HB HIS 15 HB2 HIS 15 -4.008 9.017 2.516 97 2HB HIS 15 HB1 HIS 15 -4.368 8.413 0.902 98 HD1 HIS 15 HD1 HIS 15 -5.617 6.450 3.799 99 HD2 HIS 15 HD2 HIS 15 -7.022 9.356 1.182 100 HE1 HIS 15 HE1 HIS 15 -8.111 6.487 4.112 101 HE2 HIS 15 HE2 HIS 15 -8.949 8.190 2.455 102 H GLU 16 HN GLU 16 -2.495 6.444 -0.047 103 HA GLU 16 HA GLU 16 -4.510 4.540 -0.858 104 1HB GLU 16 HB2 GLU 16 -1.986 5.189 -2.362 105 2HB GLU 16 HB1 GLU 16 -3.518 4.609 -3.004 106 1HG GLU 16 HG2 GLU 16 -4.552 6.699 -2.709 107 2HG GLU 16 HG1 GLU 16 -3.252 7.283 -1.669 108 H ILE 17 HN ILE 17 -1.179 4.528 0.203 109 HA ILE 17 HA ILE 17 -0.535 1.873 -0.491 110 HB ILE 17 HB ILE 17 0.603 3.418 1.839 111 1HG1 ILE 17 HG12 ILE 17 1.877 3.421 -0.862 112 2HG1 ILE 17 HG11 ILE 17 0.536 4.520 -0.570 113 1HG2 ILE 17 HG21 ILE 17 2.454 1.810 0.331 114 2HG2 ILE 17 HG22 ILE 17 1.091 0.837 0.887 115 3HG2 ILE 17 HG23 ILE 17 2.054 1.750 2.048 116 1HD1 ILE 17 HD11 ILE 17 1.984 5.942 0.301 117 2HD1 ILE 17 HD12 ILE 17 3.282 4.754 0.194 118 3HD1 ILE 17 HD13 ILE 17 2.249 4.804 1.622 119 H ALA 18 HN ALA 18 -2.142 3.319 2.260 120 HA ALA 18 HA ALA 18 -2.088 0.937 3.869 121 1HB ALA 18 HB1 ALA 18 -4.098 2.936 4.569 122 2HB ALA 18 HB2 ALA 18 -2.472 3.596 4.401 123 3HB ALA 18 HB3 ALA 18 -2.774 2.272 5.526 124 H ASP 19 HN ASP 19 -4.406 2.527 1.734 125 HA ASP 19 HA ASP 19 -6.701 1.098 2.352 126 1HB ASP 19 HB2 ASP 19 -6.129 3.025 0.560 127 2HB ASP 19 HB1 ASP 19 -6.206 1.639 -0.524 128 H LEU 20 HN LEU 20 -4.129 0.281 0.048 129 HA LEU 20 HA LEU 20 -5.284 -2.130 -0.855 130 1HB LEU 20 HB2 LEU 20 -2.332 -1.606 -0.760 131 2HB LEU 20 HB1 LEU 20 -3.228 -2.572 -1.916 132 HG LEU 20 HG LEU 20 -3.125 0.428 -1.714 133 1HD1 LEU 20 HD11 LEU 20 -2.421 0.158 -4.105 134 2HD1 LEU 20 HD12 LEU 20 -2.314 -1.575 -3.801 135 3HD1 LEU 20 HD13 LEU 20 -1.282 -0.460 -2.909 136 1HD2 LEU 20 HD21 LEU 20 -4.854 -1.171 -3.591 137 2HD2 LEU 20 HD22 LEU 20 -4.780 0.583 -3.421 138 3HD2 LEU 20 HD23 LEU 20 -5.453 -0.401 -2.122 139 H GLN 21 HN GLN 21 -2.756 -1.502 1.565 140 HA GLN 21 HA GLN 21 -2.214 -4.105 2.313 141 1HB GLN 21 HB2 GLN 21 -1.274 -1.733 3.103 142 2HB GLN 21 HB1 GLN 21 -2.328 -2.063 4.471 143 1HG GLN 21 HG2 GLN 21 -1.163 -4.091 4.964 144 2HG GLN 21 HG1 GLN 21 -0.210 -3.958 3.487 145 1HE2 GLN 21 HE21 GLN 21 -1.031 -1.841 6.220 146 2HE2 GLN 21 HE22 GLN 21 0.590 -1.330 6.530 147 H ALA 22 HN ALA 22 -4.768 -1.963 3.482 148 HA ALA 22 HA ALA 22 -5.758 -3.562 5.543 149 1HB ALA 22 HB1 ALA 22 -6.715 -1.512 5.651 150 2HB ALA 22 HB2 ALA 22 -7.999 -2.338 4.767 151 3HB ALA 22 HB3 ALA 22 -6.824 -1.349 3.898 152 H LYS 23 HN LYS 23 -6.472 -3.585 2.089 153 HA LYS 23 HA LYS 23 -8.608 -5.425 2.200 154 1HB LYS 23 HB2 LYS 23 -6.714 -4.617 0.005 155 2HB LYS 23 HB1 LYS 23 -7.969 -5.822 -0.249 156 1HG LYS 23 HG2 LYS 23 -9.607 -4.294 -0.321 157 2HG LYS 23 HG1 LYS 23 -8.898 -3.322 0.970 158 1HD LYS 23 HD2 LYS 23 -8.884 -2.060 -1.089 159 2HD LYS 23 HD1 LYS 23 -7.228 -2.468 -0.640 160 1HE LYS 23 HE2 LYS 23 -7.716 -4.565 -2.178 161 2HE LYS 23 HE1 LYS 23 -8.893 -3.464 -2.893 162 1HZ LYS 23 HZ1 LYS 23 -7.130 -2.861 -4.127 163 2HZ LYS 23 HZ2 LYS 23 -5.993 -3.395 -2.995 164 3HZ LYS 23 HZ3 LYS 23 -6.748 -1.896 -2.792 165 H ARG 24 HN ARG 24 -5.123 -5.841 1.945 166 HA ARG 24 HA ARG 24 -5.222 -8.644 1.415 167 1HB ARG 24 HB2 ARG 24 -3.171 -6.612 1.862 168 2HB ARG 24 HB1 ARG 24 -2.749 -8.167 2.564 169 1HG ARG 24 HG2 ARG 24 -3.548 -9.016 0.173 170 2HG ARG 24 HG1 ARG 24 -3.052 -7.382 -0.266 171 1HD ARG 24 HD2 ARG 24 -0.914 -7.964 -0.201 172 2HD ARG 24 HD1 ARG 24 -1.085 -8.545 1.453 173 HE ARG 24 HE ARG 24 -1.947 -10.312 -0.702 174 1HH1 ARG 24 HH11 ARG 24 0.478 -9.508 1.684 175 2HH1 ARG 24 HH12 ARG 24 1.209 -11.077 1.645 176 1HH2 ARG 24 HH21 ARG 24 -0.981 -12.369 -0.751 177 2HH2 ARG 24 HH22 ARG 24 0.384 -12.698 0.263 178 H THR 25 HN THR 25 -4.648 -6.706 4.337 179 HA THR 25 HA THR 25 -4.122 -8.767 6.122 180 HB THR 25 HB THR 25 -5.740 -6.482 7.100 181 HG1 THR 25 HG1 THR 25 -3.154 -6.171 5.981 182 1HG2 THR 25 HG21 THR 25 -3.972 -6.311 8.761 183 2HG2 THR 25 HG22 THR 25 -3.079 -7.596 7.948 184 3HG2 THR 25 HG23 THR 25 -4.639 -7.941 8.695 185 H ARG 26 HN ARG 26 -7.248 -7.237 5.370 186 HA ARG 26 HA ARG 26 -8.840 -8.715 7.096 187 1HB ARG 26 HB2 ARG 26 -10.701 -8.237 5.494 188 2HB ARG 26 HB1 ARG 26 -9.762 -6.824 5.956 189 1HG ARG 26 HG2 ARG 26 -8.514 -6.994 3.843 190 2HG ARG 26 HG1 ARG 26 -9.537 -8.352 3.376 191 1HD ARG 26 HD2 ARG 26 -11.440 -6.576 3.977 192 2HD ARG 26 HD1 ARG 26 -10.156 -5.460 3.516 193 HE ARG 26 HE ARG 26 -10.220 -7.297 1.499 194 1HH1 ARG 26 HH11 ARG 26 -12.566 -5.166 2.959 195 2HH1 ARG 26 HH12 ARG 26 -13.487 -4.979 1.505 196 1HH2 ARG 26 HH21 ARG 26 -11.430 -7.052 -0.416 197 2HH2 ARG 26 HH22 ARG 26 -12.843 -6.050 -0.411 198 H LEU 27 HN LEU 27 -7.762 -9.496 3.821 199 HA LEU 27 HA LEU 27 -9.197 -11.976 3.674 200 1HB LEU 27 HB2 LEU 27 -7.172 -10.548 2.038 201 2HB LEU 27 HB1 LEU 27 -7.298 -12.281 1.820 202 HG LEU 27 HG LEU 27 -9.602 -12.102 1.146 203 1HD1 LEU 27 HD11 LEU 27 -10.844 -10.087 1.122 204 2HD1 LEU 27 HD12 LEU 27 -9.425 -9.127 1.537 205 3HD1 LEU 27 HD13 LEU 27 -10.128 -10.222 2.727 206 1HD2 LEU 27 HD21 LEU 27 -9.293 -10.361 -0.769 207 2HD2 LEU 27 HD22 LEU 27 -8.307 -11.823 -0.737 208 3HD2 LEU 27 HD23 LEU 27 -7.634 -10.292 -0.178 209 H VAL 28 HN VAL 28 -6.031 -10.965 4.788 210 HA VAL 28 HA VAL 28 -4.873 -13.561 4.889 211 HB VAL 28 HB VAL 28 -4.164 -11.107 6.499 212 1HG1 VAL 28 HG11 VAL 28 -2.644 -12.320 7.573 213 2HG1 VAL 28 HG12 VAL 28 -1.974 -12.900 6.048 214 3HG1 VAL 28 HG13 VAL 28 -3.304 -13.769 6.814 215 1HG2 VAL 28 HG21 VAL 28 -2.310 -11.862 4.413 216 2HG2 VAL 28 HG22 VAL 28 -3.097 -10.313 4.711 217 3HG2 VAL 28 HG23 VAL 28 -3.917 -11.550 3.761 218 H GLN 29 HN GLN 29 -6.380 -11.498 7.360 219 HA GLN 29 HA GLN 29 -6.151 -13.194 9.543 220 1HB GLN 29 HB2 GLN 29 -7.277 -10.755 9.143 221 2HB GLN 29 HB1 GLN 29 -8.720 -11.744 9.313 222 1HG GLN 29 HG2 GLN 29 -8.225 -10.929 11.460 223 2HG GLN 29 HG1 GLN 29 -7.727 -12.621 11.454 224 1HE2 GLN 29 HE21 GLN 29 -6.255 -9.554 10.426 225 2HE2 GLN 29 HE22 GLN 29 -4.774 -9.781 11.285 226 H GLN 30 HN GLN 30 -8.423 -13.172 6.889 227 HA GLN 30 HA GLN 30 -10.186 -15.156 7.923 228 1HB GLN 30 HB2 GLN 30 -10.685 -13.486 6.077 229 2HB GLN 30 HB1 GLN 30 -9.699 -14.491 5.021 230 1HG GLN 30 HG2 GLN 30 -12.076 -14.952 4.750 231 2HG GLN 30 HG1 GLN 30 -11.204 -16.361 5.352 232 1HE2 GLN 30 HE21 GLN 30 -12.830 -13.496 6.683 233 2HE2 GLN 30 HE22 GLN 30 -13.686 -14.347 7.920 234 H HIS 31 HN HIS 31 -7.133 -15.183 6.317 235 HA HIS 31 HA HIS 31 -7.315 -18.074 5.844 236 1HB HIS 31 HB2 HIS 31 -5.569 -15.920 4.681 237 2HB HIS 31 HB1 HIS 31 -5.128 -17.621 4.548 238 HD1 HIS 31 HD1 HIS 31 -8.665 -16.422 4.286 239 HD2 HIS 31 HD2 HIS 31 -5.619 -17.804 1.827 240 HE1 HIS 31 HE1 HIS 31 -9.730 -16.810 2.058 241 HE2 HIS 31 HE2 HIS 31 -7.862 -17.582 0.558 242 HA PRO 32 HA PRO 32 -4.500 -17.393 9.604 243 1HB PRO 32 HB2 PRO 32 -5.690 -19.306 11.156 244 2HB PRO 32 HB1 PRO 32 -6.156 -17.601 11.169 245 1HG PRO 32 HG2 PRO 32 -7.424 -19.901 9.736 246 2HG PRO 32 HG1 PRO 32 -8.194 -18.567 10.613 247 1HD PRO 32 HD2 PRO 32 -8.029 -18.595 7.927 248 2HD PRO 32 HD1 PRO 32 -7.920 -17.086 8.857 249 H ARG 33 HN ARG 33 -5.711 -20.180 7.864 250 HA ARG 33 HA ARG 33 -3.057 -21.380 7.987 251 1HB ARG 33 HB2 ARG 33 -4.184 -23.646 8.382 252 2HB ARG 33 HB1 ARG 33 -4.014 -22.576 9.765 253 1HG ARG 33 HG2 ARG 33 -6.513 -22.092 8.431 254 2HG ARG 33 HG1 ARG 33 -6.344 -23.802 8.831 255 1HD ARG 33 HD2 ARG 33 -5.771 -21.646 10.840 256 2HD ARG 33 HD1 ARG 33 -7.404 -22.259 10.581 257 HE ARG 33 HE ARG 33 -5.967 -24.509 10.985 258 1HH1 ARG 33 HH11 ARG 33 -6.258 -21.526 12.772 259 2HH1 ARG 33 HH12 ARG 33 -5.961 -22.271 14.307 260 1HH2 ARG 33 HH21 ARG 33 -5.577 -25.491 13.003 261 2HH2 ARG 33 HH22 ARG 33 -5.573 -24.522 14.438 262 H CYS 1 HN CYS 1 -17.988 -23.458 0.120 263 HA CYS 1 HA CYS 1 -17.680 -21.310 0.975 264 1HB CYS 1 HB2 CYS 1 -16.719 -23.321 2.502 265 2HB CYS 1 HB1 CYS 1 -15.267 -22.340 2.348 266 HG CYS 1 HG CYS 1 -17.066 -21.775 4.408 267 H GLY 2 HN GLY 2 -16.305 -21.613 -1.575 268 1HA GLY 2 HA2 GLY 2 -15.120 -19.841 -2.655 269 2HA GLY 2 HA1 GLY 2 -14.264 -19.541 -1.150 270 H GLY 3 HN GLY 3 -13.458 -20.192 -4.034 271 1HA GLY 3 HA2 GLY 3 -11.824 -22.581 -3.495 272 2HA GLY 3 HA1 GLY 3 -12.181 -21.930 -5.088 273 H ASP 4 HN ASP 4 -10.746 -20.699 -2.061 274 HA ASP 4 HA ASP 4 -8.799 -19.604 -1.639 275 1HB ASP 4 HB2 ASP 4 -7.931 -20.615 -4.348 276 2HB ASP 4 HB1 ASP 4 -6.879 -19.995 -3.078 277 H ASN 5 HN ASN 5 -11.026 -18.536 -3.569 278 HA ASN 5 HA ASN 5 -10.023 -16.720 -5.372 279 1HB ASN 5 HB2 ASN 5 -12.503 -17.284 -4.492 280 2HB ASN 5 HB1 ASN 5 -12.250 -15.751 -3.662 281 1HD2 ASN 5 HD21 ASN 5 -11.485 -17.071 -6.870 282 2HD2 ASN 5 HD22 ASN 5 -12.138 -15.741 -7.757 283 H ILE 6 HN ILE 6 -10.029 -16.601 -1.904 284 HA ILE 6 HA ILE 6 -9.318 -13.835 -1.681 285 HB ILE 6 HB ILE 6 -9.266 -16.125 0.269 286 1HG1 ILE 6 HG12 ILE 6 -10.957 -13.637 0.379 287 2HG1 ILE 6 HG11 ILE 6 -11.456 -15.057 -0.535 288 1HG2 ILE 6 HG21 ILE 6 -8.107 -13.428 0.498 289 2HG2 ILE 6 HG22 ILE 6 -7.687 -14.921 1.339 290 3HG2 ILE 6 HG23 ILE 6 -9.074 -13.969 1.870 291 1HD1 ILE 6 HD11 ILE 6 -11.621 -16.373 1.403 292 2HD1 ILE 6 HD12 ILE 6 -12.371 -14.829 1.809 293 3HD1 ILE 6 HD13 ILE 6 -10.739 -15.194 2.379 294 H GLU 7 HN GLU 7 -7.580 -16.908 -1.294 295 HA GLU 7 HA GLU 7 -5.064 -15.936 -0.687 296 1HB GLU 7 HB2 GLU 7 -6.013 -18.386 -0.905 297 2HB GLU 7 HB1 GLU 7 -5.312 -18.288 -2.514 298 1HG GLU 7 HG2 GLU 7 -3.216 -18.452 -1.751 299 2HG GLU 7 HG1 GLU 7 -3.531 -17.414 -0.361 300 H GLN 8 HN GLN 8 -6.589 -16.338 -3.829 301 HA GLN 8 HA GLN 8 -4.233 -15.516 -5.273 302 1HB GLN 8 HB2 GLN 8 -5.796 -17.119 -6.257 303 2HB GLN 8 HB1 GLN 8 -7.082 -15.923 -6.187 304 1HG GLN 8 HG2 GLN 8 -6.390 -14.882 -8.044 305 2HG GLN 8 HG1 GLN 8 -4.686 -15.049 -7.625 306 1HE2 GLN 8 HE21 GLN 8 -4.775 -15.424 -10.057 307 2HE2 GLN 8 HE22 GLN 8 -4.913 -17.069 -10.567 308 H LYS 9 HN LYS 9 -7.306 -14.110 -4.295 309 HA LYS 9 HA LYS 9 -7.115 -11.703 -5.718 310 1HB LYS 9 HB2 LYS 9 -9.196 -12.435 -4.678 311 2HB LYS 9 HB1 LYS 9 -8.479 -12.273 -3.081 312 1HG LYS 9 HG2 LYS 9 -8.238 -9.853 -3.462 313 2HG LYS 9 HG1 LYS 9 -9.030 -10.042 -5.029 314 1HD LYS 9 HD2 LYS 9 -10.282 -10.833 -2.403 315 2HD LYS 9 HD1 LYS 9 -10.536 -9.271 -3.182 316 1HE LYS 9 HE2 LYS 9 -10.967 -11.564 -4.948 317 2HE LYS 9 HE1 LYS 9 -12.063 -11.511 -3.568 318 1HZ LYS 9 HZ1 LYS 9 -12.889 -10.324 -5.558 319 2HZ LYS 9 HZ2 LYS 9 -11.608 -9.231 -5.413 320 3HZ LYS 9 HZ3 LYS 9 -12.771 -9.334 -4.190 321 H ILE 10 HN ILE 10 -5.849 -12.673 -2.576 322 HA ILE 10 HA ILE 10 -4.979 -10.082 -1.804 323 HB ILE 10 HB ILE 10 -3.515 -11.254 -0.187 324 1HG1 ILE 10 HG12 ILE 10 -4.697 -13.731 -1.445 325 2HG1 ILE 10 HG11 ILE 10 -2.999 -13.279 -1.403 326 1HG2 ILE 10 HG21 ILE 10 -5.345 -12.133 1.178 327 2HG2 ILE 10 HG22 ILE 10 -6.389 -12.144 -0.244 328 3HG2 ILE 10 HG23 ILE 10 -5.782 -10.616 0.393 329 1HD1 ILE 10 HD11 ILE 10 -4.675 -14.535 0.654 330 2HD1 ILE 10 HD12 ILE 10 -3.552 -13.305 1.232 331 3HD1 ILE 10 HD13 ILE 10 -2.949 -14.698 0.333 332 H ASP 11 HN ASP 11 -3.287 -12.840 -3.310 333 HA ASP 11 HA ASP 11 -0.718 -11.828 -3.354 334 1HB ASP 11 HB2 ASP 11 -1.888 -14.037 -4.397 335 2HB ASP 11 HB1 ASP 11 -1.606 -13.116 -5.871 336 H ASP 12 HN ASP 12 -3.464 -10.992 -5.327 337 HA ASP 12 HA ASP 12 -2.061 -9.435 -7.254 338 1HB ASP 12 HB2 ASP 12 -4.888 -9.917 -6.522 339 2HB ASP 12 HB1 ASP 12 -4.558 -8.364 -7.283 340 H ILE 13 HN ILE 13 -3.937 -8.611 -4.360 341 HA ILE 13 HA ILE 13 -3.540 -5.846 -4.430 342 HB ILE 13 HB ILE 13 -3.787 -7.545 -1.946 343 1HG1 ILE 13 HG12 ILE 13 -5.957 -6.329 -3.666 344 2HG1 ILE 13 HG11 ILE 13 -5.586 -8.044 -3.538 345 1HG2 ILE 13 HG21 ILE 13 -3.431 -4.772 -2.293 346 2HG2 ILE 13 HG22 ILE 13 -3.803 -5.640 -0.805 347 3HG2 ILE 13 HG23 ILE 13 -5.109 -5.013 -1.810 348 1HD1 ILE 13 HD11 ILE 13 -6.023 -7.012 -0.925 349 2HD1 ILE 13 HD12 ILE 13 -6.945 -8.226 -1.811 350 3HD1 ILE 13 HD13 ILE 13 -7.354 -6.519 -1.973 351 H ASP 14 HN ASP 14 -1.668 -8.394 -2.809 352 HA ASP 14 HA ASP 14 0.203 -6.928 -1.459 353 1HB ASP 14 HB2 ASP 14 -0.118 -9.569 -1.976 354 2HB ASP 14 HB1 ASP 14 1.307 -9.230 -2.952 355 H HIS 15 HN HIS 15 0.064 -7.582 -4.909 356 HA HIS 15 HA HIS 15 2.650 -6.503 -5.482 357 1HB HIS 15 HB2 HIS 15 1.178 -8.121 -6.900 358 2HB HIS 15 HB1 HIS 15 0.418 -6.645 -7.487 359 HD1 HIS 15 HD1 HIS 15 3.806 -5.763 -6.958 360 HD2 HIS 15 HD2 HIS 15 1.799 -7.927 -9.884 361 HE1 HIS 15 HE1 HIS 15 5.335 -5.772 -8.955 362 HE2 HIS 15 HE2 HIS 15 4.063 -7.013 -10.740 363 H GLU 16 HN GLU 16 -0.563 -5.229 -5.139 364 HA GLU 16 HA GLU 16 0.124 -2.689 -6.336 365 1HB GLU 16 HB2 GLU 16 -2.384 -3.272 -4.784 366 2HB GLU 16 HB1 GLU 16 -2.141 -2.091 -6.066 367 1HG GLU 16 HG2 GLU 16 -1.883 -5.027 -6.596 368 2HG GLU 16 HG1 GLU 16 -3.457 -4.232 -6.589 369 H ILE 17 HN ILE 17 -0.280 -4.053 -3.140 370 HA ILE 17 HA ILE 17 -0.332 -1.668 -1.652 371 HB ILE 17 HB ILE 17 0.827 -4.302 -0.739 372 1HG1 ILE 17 HG12 ILE 17 -2.014 -3.516 -0.255 373 2HG1 ILE 17 HG11 ILE 17 -1.587 -4.229 -1.804 374 1HG2 ILE 17 HG21 ILE 17 0.143 -1.769 0.561 375 2HG2 ILE 17 HG22 ILE 17 1.238 -3.052 1.075 376 3HG2 ILE 17 HG23 ILE 17 -0.494 -3.200 1.373 377 1HD1 ILE 17 HD11 ILE 17 -0.466 -5.759 0.347 378 2HD1 ILE 17 HD12 ILE 17 -1.582 -6.254 -0.924 379 3HD1 ILE 17 HD13 ILE 17 -2.202 -5.549 0.568 380 H ALA 18 HN ALA 18 2.246 -3.557 -3.046 381 HA ALA 18 HA ALA 18 4.353 -2.196 -1.630 382 1HB ALA 18 HB1 ALA 18 5.205 -4.213 -2.132 383 2HB ALA 18 HB2 ALA 18 5.607 -3.464 -3.678 384 3HB ALA 18 HB3 ALA 18 4.139 -4.430 -3.522 385 H ASP 19 HN ASP 19 2.943 -2.093 -4.877 386 HA ASP 19 HA ASP 19 4.762 -0.429 -6.138 387 1HB ASP 19 HB2 ASP 19 1.806 -0.838 -6.456 388 2HB ASP 19 HB1 ASP 19 2.631 0.395 -7.404 389 H LEU 20 HN LEU 20 1.994 0.449 -4.109 390 HA LEU 20 HA LEU 20 2.295 3.251 -4.419 391 1HB LEU 20 HB2 LEU 20 1.053 1.875 -2.052 392 2HB LEU 20 HB1 LEU 20 0.703 3.478 -2.668 393 HG LEU 20 HG LEU 20 -0.128 0.822 -3.785 394 1HD1 LEU 20 HD11 LEU 20 -2.323 2.130 -3.871 395 2HD1 LEU 20 HD12 LEU 20 -1.506 3.312 -2.847 396 3HD1 LEU 20 HD13 LEU 20 -1.711 1.652 -2.288 397 1HD2 LEU 20 HD21 LEU 20 0.292 1.615 -5.841 398 2HD2 LEU 20 HD22 LEU 20 0.489 3.271 -5.269 399 3HD2 LEU 20 HD23 LEU 20 -1.126 2.626 -5.566 400 H GLN 21 HN GLN 21 3.178 1.070 -1.747 401 HA GLN 21 HA GLN 21 4.349 2.882 -0.043 402 1HB GLN 21 HB2 GLN 21 3.962 0.451 0.407 403 2HB GLN 21 HB1 GLN 21 5.383 0.092 -0.566 404 1HG GLN 21 HG2 GLN 21 6.309 1.957 1.230 405 2HG GLN 21 HG1 GLN 21 5.181 0.997 2.186 406 1HE2 GLN 21 HE21 GLN 21 8.173 1.228 2.120 407 2HE2 GLN 21 HE22 GLN 21 8.732 -0.401 1.991 408 H ALA 22 HN ALA 22 5.669 1.486 -2.972 409 HA ALA 22 HA ALA 22 8.355 2.313 -2.553 410 1HB ALA 22 HB1 ALA 22 8.332 0.691 -4.137 411 2HB ALA 22 HB2 ALA 22 8.267 2.089 -5.211 412 3HB ALA 22 HB3 ALA 22 6.788 1.215 -4.811 413 H LYS 23 HN LYS 23 5.566 3.775 -4.131 414 HA LYS 23 HA LYS 23 6.944 5.949 -5.302 415 1HB LYS 23 HB2 LYS 23 4.056 5.525 -4.558 416 2HB LYS 23 HB1 LYS 23 4.621 7.004 -5.321 417 1HG LYS 23 HG2 LYS 23 4.784 6.050 -7.337 418 2HG LYS 23 HG1 LYS 23 5.463 4.557 -6.685 419 1HD LYS 23 HD2 LYS 23 3.254 3.809 -6.021 420 2HD LYS 23 HD1 LYS 23 2.548 5.332 -6.566 421 1HE LYS 23 HE2 LYS 23 4.108 3.598 -8.446 422 2HE LYS 23 HE1 LYS 23 2.412 3.260 -8.106 423 1HZ LYS 23 HZ1 LYS 23 3.278 5.954 -8.943 424 2HZ LYS 23 HZ2 LYS 23 1.743 5.252 -9.054 425 3HZ LYS 23 HZ3 LYS 23 2.980 4.745 -10.090 426 H ARG 24 HN ARG 24 5.561 5.424 -2.124 427 HA ARG 24 HA ARG 24 5.684 8.152 -1.296 428 1HB ARG 24 HB2 ARG 24 4.165 6.586 -0.217 429 2HB ARG 24 HB1 ARG 24 5.519 5.599 0.315 430 1HG ARG 24 HG2 ARG 24 5.970 6.929 2.063 431 2HG ARG 24 HG1 ARG 24 5.638 8.407 1.156 432 1HD ARG 24 HD2 ARG 24 3.153 7.351 1.334 433 2HD ARG 24 HD1 ARG 24 3.862 6.773 2.841 434 HE ARG 24 HE ARG 24 3.114 9.458 2.210 435 1HH1 ARG 24 HH11 ARG 24 5.323 7.518 4.088 436 2HH1 ARG 24 HH12 ARG 24 5.571 8.739 5.290 437 1HH2 ARG 24 HH21 ARG 24 3.438 11.066 3.789 438 2HH2 ARG 24 HH22 ARG 24 4.501 10.754 5.121 439 H THR 25 HN THR 25 7.792 5.337 -0.815 440 HA THR 25 HA THR 25 9.655 6.565 0.883 441 HB THR 25 HB THR 25 10.666 4.564 -1.042 442 HG1 THR 25 HG1 THR 25 8.519 4.054 0.728 443 1HG2 THR 25 HG21 THR 25 11.215 3.412 1.172 444 2HG2 THR 25 HG22 THR 25 10.765 4.944 1.921 445 3HG2 THR 25 HG23 THR 25 12.092 4.885 0.759 446 H ARG 26 HN ARG 26 9.822 6.042 -2.641 447 HA ARG 26 HA ARG 26 12.230 7.259 -3.168 448 1HB ARG 26 HB2 ARG 26 11.358 7.715 -5.430 449 2HB ARG 26 HB1 ARG 26 10.967 6.088 -4.884 450 1HG ARG 26 HG2 ARG 26 8.703 6.839 -4.310 451 2HG ARG 26 HG1 ARG 26 9.100 8.450 -4.909 452 1HD ARG 26 HD2 ARG 26 8.930 5.883 -6.471 453 2HD ARG 26 HD1 ARG 26 7.933 7.326 -6.648 454 HE ARG 26 HE ARG 26 10.468 8.194 -7.147 455 1HH1 ARG 26 HH11 ARG 26 8.443 5.673 -8.460 456 2HH1 ARG 26 HH12 ARG 26 9.156 5.749 -10.036 457 1HH2 ARG 26 HH21 ARG 26 11.408 8.294 -9.219 458 2HH2 ARG 26 HH22 ARG 26 10.841 7.236 -10.467 459 H LEU 27 HN LEU 27 9.049 8.768 -2.854 460 HA LEU 27 HA LEU 27 9.874 11.397 -3.455 461 1HB LEU 27 HB2 LEU 27 7.497 10.106 -2.309 462 2HB LEU 27 HB1 LEU 27 7.771 11.742 -1.739 463 HG LEU 27 HG LEU 27 7.819 12.528 -4.088 464 1HD1 LEU 27 HD11 LEU 27 7.160 11.097 -5.886 465 2HD1 LEU 27 HD12 LEU 27 6.892 9.749 -4.781 466 3HD1 LEU 27 HD13 LEU 27 8.526 10.349 -5.059 467 1HD2 LEU 27 HD21 LEU 27 5.431 11.164 -2.925 468 2HD2 LEU 27 HD22 LEU 27 5.327 11.908 -4.521 469 3HD2 LEU 27 HD23 LEU 27 5.759 12.887 -3.119 470 H VAL 28 HN VAL 28 9.775 9.533 -0.460 471 HA VAL 28 HA VAL 28 10.331 11.646 1.317 472 HB VAL 28 HB VAL 28 11.204 8.780 1.633 473 1HG1 VAL 28 HG11 VAL 28 11.141 11.138 3.397 474 2HG1 VAL 28 HG12 VAL 28 12.187 9.718 3.433 475 3HG1 VAL 28 HG13 VAL 28 10.559 9.632 4.106 476 1HG2 VAL 28 HG21 VAL 28 9.076 8.166 1.829 477 2HG2 VAL 28 HG22 VAL 28 8.577 9.796 1.380 478 3HG2 VAL 28 HG23 VAL 28 8.815 9.382 3.077 479 H GLN 29 HN GLN 29 12.453 9.394 -0.404 480 HA GLN 29 HA GLN 29 14.903 10.169 0.623 481 1HB GLN 29 HB2 GLN 29 14.014 8.559 -1.488 482 2HB GLN 29 HB1 GLN 29 15.061 9.751 -2.248 483 1HG GLN 29 HG2 GLN 29 16.914 8.864 -1.369 484 2HG GLN 29 HG1 GLN 29 16.158 8.589 0.199 485 1HE2 GLN 29 HE21 GLN 29 15.619 6.580 0.738 486 2HE2 GLN 29 HE22 GLN 29 15.627 5.222 -0.328 487 H GLN 30 HN GLN 30 12.832 11.727 -1.711 488 HA GLN 30 HA GLN 30 14.705 13.657 -2.626 489 1HB GLN 30 HB2 GLN 30 12.270 12.895 -3.482 490 2HB GLN 30 HB1 GLN 30 11.816 14.340 -2.589 491 1HG GLN 30 HG2 GLN 30 13.425 15.640 -3.918 492 2HG GLN 30 HG1 GLN 30 13.810 14.186 -4.840 493 1HE2 GLN 30 HE21 GLN 30 11.333 16.543 -4.109 494 2HE2 GLN 30 HE22 GLN 30 10.362 16.242 -5.506 495 H HIS 31 HN HIS 31 12.511 13.455 0.102 496 HA HIS 31 HA HIS 31 13.729 15.899 1.163 497 1HB HIS 31 HB2 HIS 31 11.601 16.788 1.921 498 2HB HIS 31 HB1 HIS 31 11.564 16.561 0.177 499 HD1 HIS 31 HD1 HIS 31 10.536 13.955 -0.387 500 HD2 HIS 31 HD2 HIS 31 9.284 15.966 3.021 501 HE1 HIS 31 HE1 HIS 31 8.338 12.918 0.239 502 HE2 HIS 31 HE2 HIS 31 7.722 14.001 2.426 503 HA PRO 32 HA PRO 32 13.577 12.520 4.315 504 1HB PRO 32 HB2 PRO 32 16.185 12.492 4.938 505 2HB PRO 32 HB1 PRO 32 15.566 11.655 3.509 506 1HG PRO 32 HG2 PRO 32 16.939 14.307 3.706 507 2HG PRO 32 HG1 PRO 32 17.165 13.016 2.512 508 1HD PRO 32 HD2 PRO 32 15.638 15.258 2.084 509 2HD PRO 32 HD1 PRO 32 15.386 13.712 1.251 510 H ARG 33 HN ARG 33 12.565 14.932 4.934 511 HA ARG 33 HA ARG 33 13.926 15.582 7.449 512 1HB ARG 33 HB2 ARG 33 13.372 17.390 5.196 513 2HB ARG 33 HB1 ARG 33 12.841 17.998 6.758 514 1HG ARG 33 HG2 ARG 33 14.974 18.828 6.642 515 2HG ARG 33 HG1 ARG 33 15.236 17.324 7.527 516 1HD ARG 33 HD2 ARG 33 16.876 17.747 5.691 517 2HD ARG 33 HD1 ARG 33 16.010 16.217 5.561 518 HE ARG 33 HE ARG 33 15.041 16.964 3.623 519 1HH1 ARG 33 HH11 ARG 33 16.508 19.665 5.275 520 2HH1 ARG 33 HH12 ARG 33 16.283 20.758 3.952 521 1HH2 ARG 33 HH21 ARG 33 14.745 18.400 1.881 522 2HH2 ARG 33 HH22 ARG 33 15.281 20.041 2.025
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