NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637718 | 6dmz | 30475 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 1HT ARG 1 -8.448 -12.764 -7.149 2 H2 ARG 1 2HT ARG 1 -10.061 -13.197 -7.080 3 H3 ARG 1 3HT ARG 1 -9.193 -12.973 -5.648 4 HA ARG 1 HA ARG 1 -9.853 -10.881 -7.652 5 HB2 ARG 1 2HB ARG 1 -10.815 -11.354 -4.827 6 HB3 ARG 1 1HB ARG 1 -11.065 -9.851 -5.695 7 HG2 ARG 1 2HG ARG 1 -12.425 -11.031 -7.341 8 HG3 ARG 1 1HG ARG 1 -12.142 -12.549 -6.485 9 HD2 ARG 1 2HD ARG 1 -13.460 -10.116 -5.293 10 HD3 ARG 1 1HD ARG 1 -14.321 -11.519 -5.923 11 HE ARG 1 HE ARG 1 -12.978 -12.801 -4.206 12 HH11 ARG 1 1HH1 ARG 1 -13.920 -9.416 -3.630 13 HH12 ARG 1 2HH1 ARG 1 -14.023 -9.610 -1.949 14 HH21 ARG 1 1HH2 ARG 1 -13.103 -13.018 -1.933 15 HH22 ARG 1 2HH2 ARG 1 -13.550 -11.703 -0.936 16 H THR 2 HN THR 2 -9.023 -8.794 -7.155 17 HA THR 2 HA THR 2 -6.662 -8.866 -5.490 18 HB THR 2 HB THR 2 -6.489 -6.477 -6.590 19 HG1 THR 2 1HG THR 2 -8.024 -6.107 -7.984 20 HG21 THR 2 1HG2 THR 2 -4.922 -8.330 -6.983 21 HG22 THR 2 2HG2 THR 2 -5.267 -7.470 -8.480 22 HG23 THR 2 3HG2 THR 2 -6.033 -9.028 -8.162 23 H CYS 3 HN CYS 3 -6.699 -8.005 -3.531 24 HA CYS 3 HA CYS 3 -8.843 -6.113 -2.900 25 HB2 CYS 3 2HB CYS 3 -7.599 -8.245 -1.169 26 HB3 CYS 3 1HB CYS 3 -8.825 -7.100 -0.615 27 H GLN 4 HN GLN 4 -8.131 -4.254 -2.145 28 HA GLN 4 HA GLN 4 -5.299 -4.055 -1.403 29 HB2 GLN 4 2HB GLN 4 -7.092 -2.006 -2.692 30 HB3 GLN 4 1HB GLN 4 -5.530 -1.609 -2.010 31 HG2 GLN 4 2HG GLN 4 -4.471 -3.191 -3.569 32 HG3 GLN 4 1HG GLN 4 -6.054 -3.515 -4.275 33 HE21 GLN 4 1HE2 GLN 4 -3.605 -2.388 -5.439 34 HE22 GLN 4 2HE2 GLN 4 -4.088 -0.861 -6.105 35 H SER 5 HN SER 5 -4.843 -3.718 0.549 36 HA SER 5 HA SER 5 -6.777 -2.384 2.315 37 HB2 SER 5 2HB SER 5 -4.671 -4.462 2.996 38 HB3 SER 5 1HB SER 5 -5.874 -3.781 4.094 39 HG SER 5 HG SER 5 -7.098 -4.769 1.927 40 H GLN 6 HN GLN 6 -5.892 -0.628 3.498 41 HA GLN 6 HA GLN 6 -3.512 0.409 2.351 42 HB2 GLN 6 2HB GLN 6 -3.763 2.342 3.819 43 HB3 GLN 6 1HB GLN 6 -5.225 1.985 2.924 44 HG2 GLN 6 2HG GLN 6 -6.269 1.106 4.860 45 HG3 GLN 6 1HG GLN 6 -4.761 1.178 5.774 46 HE21 GLN 6 1HE2 GLN 6 -5.636 2.464 7.319 47 HE22 GLN 6 2HE2 GLN 6 -6.039 4.128 7.074 48 H SER 7 HN SER 7 -1.581 0.823 3.184 49 HA SER 7 HA SER 7 -0.605 -0.983 5.123 50 HB2 SER 7 2HB SER 7 0.745 1.442 3.976 51 HB3 SER 7 1HB SER 7 1.499 -0.082 4.484 52 HG SER 7 HG SER 7 0.974 -0.941 2.568 53 H HIS 8 HN HIS 8 -1.095 -0.628 7.195 54 HA HIS 8 HA HIS 8 -1.925 1.905 8.188 55 HB2 HIS 8 2HB HIS 8 -2.896 -0.211 8.985 56 HB3 HIS 8 1HB HIS 8 -1.346 -0.656 9.689 57 HD1 HIS 8 1HD HIS 8 -0.978 0.085 12.091 58 HD2 HIS 8 2HD HIS 8 -4.093 2.103 10.226 59 HE1 HIS 8 1HE HIS 8 -2.031 1.513 13.860 60 H ARG 9 HN ARG 9 0.976 -0.055 8.539 61 HA ARG 9 HA ARG 9 2.108 1.868 10.406 62 HB2 ARG 9 2HB ARG 9 4.020 0.356 10.596 63 HB3 ARG 9 1HB ARG 9 2.513 -0.518 10.798 64 HG2 ARG 9 2HG ARG 9 2.717 -1.276 8.434 65 HG3 ARG 9 1HG ARG 9 4.288 -0.491 8.369 66 HD2 ARG 9 2HD ARG 9 3.497 -2.681 10.281 67 HD3 ARG 9 1HD ARG 9 4.448 -2.919 8.830 68 HE ARG 9 HE ARG 9 5.568 -0.969 10.604 69 HH11 ARG 9 1HH1 ARG 9 5.488 -4.474 9.898 70 HH12 ARG 9 2HH1 ARG 9 6.880 -4.809 10.802 71 HH21 ARG 9 1HH2 ARG 9 7.508 -1.477 11.826 72 HH22 ARG 9 2HH2 ARG 9 8.069 -3.079 11.902 73 H PHE 10 HN PHE 10 1.649 2.173 7.370 74 HA PHE 10 HA PHE 10 4.243 2.817 6.295 75 HB2 PHE 10 2HB PHE 10 2.381 2.052 4.891 76 HB3 PHE 10 1HB PHE 10 1.457 3.491 5.301 77 HD1 PHE 10 1HD PHE 10 1.755 5.498 4.031 78 HD2 PHE 10 2HD PHE 10 4.499 2.264 3.604 79 HE1 PHE 10 1HE PHE 10 2.772 6.607 2.124 80 HE2 PHE 10 2HE PHE 10 5.512 3.376 1.707 81 HZ PHE 10 HZ PHE 10 4.661 5.556 0.945 82 H ARG 11 HN ARG 11 4.984 4.938 5.822 83 HA ARG 11 HA ARG 11 3.690 7.075 7.301 84 HB2 ARG 11 2HB ARG 11 5.854 7.863 8.124 85 HB3 ARG 11 1HB ARG 11 5.488 6.252 8.712 86 HG2 ARG 11 2HG ARG 11 7.013 5.296 7.080 87 HG3 ARG 11 1HG ARG 11 7.369 6.913 6.462 88 HD2 ARG 11 2HD ARG 11 8.160 7.562 8.684 89 HD3 ARG 11 1HD ARG 11 7.848 5.928 9.259 90 HE ARG 11 HE ARG 11 9.500 5.709 7.046 91 HH11 ARG 11 1HH1 ARG 11 9.692 7.024 10.299 92 HH12 ARG 11 2HH1 ARG 11 11.379 6.804 10.446 93 HH21 ARG 11 1HH2 ARG 11 11.794 5.427 7.225 94 HH22 ARG 11 2HH2 ARG 11 12.599 5.869 8.656 95 H GLY 12 HN GLY 12 3.928 9.091 6.410 96 HA2 GLY 12 2HA GLY 12 4.396 10.660 4.808 97 HA3 GLY 12 1HA GLY 12 5.517 9.524 4.062 98 HA PRO 13 HA PRO 13 1.763 9.351 1.451 99 HB2 PRO 13 2HB PRO 13 2.631 10.637 -0.740 100 HB3 PRO 13 1HB PRO 13 1.955 11.515 0.633 101 HG2 PRO 13 2HG PRO 13 4.780 11.246 -0.225 102 HG3 PRO 13 1HG PRO 13 3.984 12.583 0.616 103 HD2 PRO 13 2HD PRO 13 5.584 10.559 1.787 104 HD3 PRO 13 1HD PRO 13 4.588 11.749 2.642 105 H CYS 14 HN CYS 14 1.617 8.188 -0.644 106 HA CYS 14 HA CYS 14 3.565 6.102 -0.707 107 HB2 CYS 14 2HB CYS 14 2.083 5.002 -2.349 108 HB3 CYS 14 1HB CYS 14 1.223 5.511 -0.903 109 H LEU 15 HN LEU 15 4.023 8.968 -1.857 110 HA LEU 15 HA LEU 15 4.414 8.917 -4.622 111 HB2 LEU 15 2HB LEU 15 6.020 10.401 -2.549 112 HB3 LEU 15 1HB LEU 15 6.080 10.709 -4.268 113 HG LEU 15 HG LEU 15 3.693 11.128 -2.477 114 HD11 LEU 15 1HD1 LEU 15 4.086 13.487 -2.918 115 HD12 LEU 15 2HD1 LEU 15 5.533 13.078 -3.843 116 HD13 LEU 15 3HD1 LEU 15 5.466 12.744 -2.110 117 HD21 LEU 15 1HD2 LEU 15 2.690 12.200 -4.444 118 HD22 LEU 15 2HD2 LEU 15 2.987 10.486 -4.712 119 HD23 LEU 15 3HD2 LEU 15 4.068 11.689 -5.421 120 H ARG 16 HN ARG 16 6.768 8.191 -2.047 121 HA ARG 16 HA ARG 16 8.521 7.108 -4.049 122 HB2 ARG 16 2HB ARG 16 9.439 8.255 -1.996 123 HB3 ARG 16 1HB ARG 16 8.794 6.936 -1.028 124 HG2 ARG 16 2HG ARG 16 11.163 6.617 -1.413 125 HG3 ARG 16 1HG ARG 16 10.242 5.357 -2.245 126 HD2 ARG 16 2HD ARG 16 10.416 6.695 -4.327 127 HD3 ARG 16 1HD ARG 16 11.455 7.835 -3.469 128 HE ARG 16 HE ARG 16 12.606 5.392 -3.132 129 HH11 ARG 16 1HH1 ARG 16 11.693 7.385 -5.912 130 HH12 ARG 16 2HH1 ARG 16 12.872 6.739 -6.958 131 HH21 ARG 16 1HH2 ARG 16 14.182 4.442 -4.600 132 HH22 ARG 16 2HH2 ARG 16 14.315 5.019 -6.198 133 H ARG 17 HN ARG 17 7.687 5.377 -4.956 134 HA ARG 17 HA ARG 17 5.860 3.672 -3.667 135 HB2 ARG 17 2HB ARG 17 7.363 3.130 -6.223 136 HB3 ARG 17 1HB ARG 17 5.913 2.315 -5.669 137 HG2 ARG 17 2HG ARG 17 4.702 4.468 -5.815 138 HG3 ARG 17 1HG ARG 17 6.161 5.199 -6.479 139 HD2 ARG 17 2HD ARG 17 4.596 2.919 -7.685 140 HD3 ARG 17 1HD ARG 17 4.658 4.577 -8.267 141 HE ARG 17 HE ARG 17 6.995 4.240 -8.758 142 HH11 ARG 17 1HH1 ARG 17 5.006 1.332 -8.363 143 HH12 ARG 17 2HH1 ARG 17 6.067 0.328 -9.256 144 HH21 ARG 17 1HH2 ARG 17 8.439 2.814 -9.972 145 HH22 ARG 17 2HH2 ARG 17 8.017 1.182 -10.185 146 H SER 18 HN SER 18 9.305 3.590 -3.907 147 HA SER 18 HA SER 18 9.922 0.958 -3.382 148 HB2 SER 18 2HB SER 18 11.255 3.313 -2.083 149 HB3 SER 18 1HB SER 18 11.993 1.812 -2.647 150 HG SER 18 HG SER 18 11.370 2.471 -4.791 151 H ASN 19 HN ASN 19 9.032 3.597 -1.168 152 HA ASN 19 HA ASN 19 9.403 2.121 1.233 153 HB2 ASN 19 2HB ASN 19 9.491 4.594 1.127 154 HB3 ASN 19 1HB ASN 19 7.788 4.631 0.701 155 HD21 ASN 19 1HD2 ASN 19 7.343 5.918 2.492 156 HD22 ASN 19 2HD2 ASN 19 7.294 5.303 4.086 157 H CYS 20 HN CYS 20 6.776 2.721 -0.932 158 HA CYS 20 HA CYS 20 4.649 1.673 0.623 159 HB2 CYS 20 2HB CYS 20 4.378 3.171 -1.350 160 HB3 CYS 20 1HB CYS 20 4.972 1.892 -2.389 161 H ALA 21 HN ALA 21 6.653 0.279 -1.983 162 HA ALA 21 HA ALA 21 5.597 -2.314 -1.932 163 HB1 ALA 21 1HB ALA 21 6.923 -1.388 -3.786 164 HB2 ALA 21 2HB ALA 21 7.568 -2.927 -3.214 165 HB3 ALA 21 3HB ALA 21 8.356 -1.417 -2.759 166 H ASN 22 HN ASN 22 8.443 -0.922 -0.320 167 HA ASN 22 HA ASN 22 9.370 -3.256 0.862 168 HB2 ASN 22 2HB ASN 22 9.678 -0.377 1.652 169 HB3 ASN 22 1HB ASN 22 10.316 -1.651 2.679 170 HD21 ASN 22 1HD2 ASN 22 12.402 -0.937 2.354 171 HD22 ASN 22 2HD2 ASN 22 13.269 -1.198 0.883 172 H VAL 23 HN VAL 23 7.095 -0.879 2.260 173 HA VAL 23 HA VAL 23 6.764 -2.305 4.666 174 HB VAL 23 HB VAL 23 4.848 -0.356 3.315 175 HG11 VAL 23 1HG1 VAL 23 4.787 -1.407 6.151 176 HG12 VAL 23 2HG1 VAL 23 3.619 -1.781 4.885 177 HG13 VAL 23 3HG1 VAL 23 3.752 -0.135 5.504 178 HG21 VAL 23 1HG2 VAL 23 5.689 1.231 5.014 179 HG22 VAL 23 2HG2 VAL 23 6.948 0.671 3.916 180 HG23 VAL 23 3HG2 VAL 23 6.843 0.010 5.551 181 H CYS 24 HN CYS 24 4.882 -2.338 1.672 182 HA CYS 24 HA CYS 24 3.016 -4.188 2.592 183 HB2 CYS 24 2HB CYS 24 3.843 -3.382 -0.164 184 HB3 CYS 24 1HB CYS 24 2.590 -4.586 0.087 185 H ARG 25 HN ARG 25 6.105 -4.778 0.922 186 HA ARG 25 HA ARG 25 5.499 -7.543 0.718 187 HB2 ARG 25 2HB ARG 25 7.165 -6.331 -0.783 188 HB3 ARG 25 1HB ARG 25 8.293 -6.383 0.564 189 HG2 ARG 25 2HG ARG 25 8.747 -8.202 -1.014 190 HG3 ARG 25 1HG ARG 25 8.211 -8.849 0.540 191 HD2 ARG 25 2HD ARG 25 5.945 -9.121 -0.343 192 HD3 ARG 25 1HD ARG 25 6.448 -8.437 -1.878 193 HE ARG 25 HE ARG 25 8.052 -10.578 -1.603 194 HH11 ARG 25 1HH1 ARG 25 4.563 -10.184 -1.229 195 HH12 ARG 25 2HH1 ARG 25 4.138 -11.720 -1.854 196 HH21 ARG 25 1HH2 ARG 25 7.492 -12.736 -2.481 197 HH22 ARG 25 2HH2 ARG 25 5.864 -13.210 -2.553 198 H THR 26 HN THR 26 7.177 -5.586 3.131 199 HA THR 26 HA THR 26 8.125 -7.832 4.565 200 HB THR 26 HB THR 26 8.353 -6.179 6.506 201 HG1 THR 26 1HG THR 26 7.933 -4.206 4.544 202 HG21 THR 26 1HG2 THR 26 10.218 -6.723 5.022 203 HG22 THR 26 2HG2 THR 26 10.240 -5.017 5.480 204 HG23 THR 26 3HG2 THR 26 9.666 -5.494 3.883 205 H GLU 27 HN GLU 27 5.117 -6.020 4.672 206 HA GLU 27 HA GLU 27 4.199 -7.453 6.962 207 HB2 GLU 27 2HB GLU 27 2.662 -5.717 5.020 208 HB3 GLU 27 1HB GLU 27 1.969 -6.439 6.468 209 HG2 GLU 27 2HG GLU 27 4.180 -4.422 6.343 210 HG3 GLU 27 1HG GLU 27 2.520 -4.141 6.850 211 H GLY 28 HN GLY 28 4.677 -8.471 3.889 212 HA2 GLY 28 2HA GLY 28 4.373 -10.742 3.305 213 HA3 GLY 28 1HA GLY 28 3.020 -10.822 4.414 214 H PHE 29 HN PHE 29 3.353 -8.317 1.986 215 HA PHE 29 HA PHE 29 1.076 -9.508 0.589 216 HB2 PHE 29 2HB PHE 29 1.852 -6.613 0.916 217 HB3 PHE 29 1HB PHE 29 0.530 -7.180 -0.099 218 HD1 PHE 29 1HD PHE 29 1.459 -6.091 3.132 219 HD2 PHE 29 2HD PHE 29 -1.224 -8.596 1.037 220 HE1 PHE 29 1HE PHE 29 -0.068 -6.034 5.051 221 HE2 PHE 29 2HE PHE 29 -2.777 -8.553 2.921 222 HZ PHE 29 HZ PHE 29 -2.204 -7.261 4.956 223 HA PRO 30 HA PRO 30 3.436 -9.773 -3.163 224 HB2 PRO 30 2HB PRO 30 1.190 -8.531 -4.615 225 HB3 PRO 30 1HB PRO 30 1.931 -10.112 -4.851 226 HG2 PRO 30 2HG PRO 30 -0.496 -9.808 -3.725 227 HG3 PRO 30 1HG PRO 30 0.605 -11.119 -3.271 228 HD2 PRO 30 2HD PRO 30 -0.094 -8.629 -1.804 229 HD3 PRO 30 1HD PRO 30 0.351 -10.223 -1.180 230 H GLY 31 HN GLY 31 1.484 -6.749 -3.114 231 HA2 GLY 31 2HA GLY 31 3.888 -5.205 -3.504 232 HA3 GLY 31 1HA GLY 31 2.795 -5.238 -4.884 233 H GLY 32 HN GLY 32 3.426 -2.897 -3.675 234 HA2 GLY 32 2HA GLY 32 0.921 -2.219 -2.292 235 HA3 GLY 32 1HA GLY 32 2.468 -1.457 -1.915 236 H ARG 33 HN ARG 33 -0.201 -0.549 -3.118 237 HA ARG 33 HA ARG 33 0.977 0.941 -5.373 238 HB2 ARG 33 2HB ARG 33 -1.852 -0.151 -5.355 239 HB3 ARG 33 1HB ARG 33 -1.039 0.669 -6.676 240 HG2 ARG 33 2HG ARG 33 -0.360 -2.067 -5.603 241 HG3 ARG 33 1HG ARG 33 -1.250 -1.729 -7.085 242 HD2 ARG 33 2HD ARG 33 0.683 -0.730 -8.086 243 HD3 ARG 33 1HD ARG 33 1.561 -0.793 -6.557 244 HE ARG 33 HE ARG 33 0.639 -3.317 -7.606 245 HH11 ARG 33 1HH1 ARG 33 3.313 -1.018 -7.495 246 HH12 ARG 33 2HH1 ARG 33 4.524 -2.210 -7.720 247 HH21 ARG 33 1HH2 ARG 33 2.338 -4.963 -7.875 248 HH22 ARG 33 2HH2 ARG 33 3.967 -4.449 -7.925 249 H CYS 34 HN CYS 34 -0.558 2.872 -5.863 250 HA CYS 34 HA CYS 34 -1.365 4.045 -3.338 251 HB2 CYS 34 2HB CYS 34 -1.109 5.183 -6.126 252 HB3 CYS 34 1HB CYS 34 -1.702 6.124 -4.769 253 H ARG 35 HN ARG 35 -3.404 4.395 -2.743 254 HA ARG 35 HA ARG 35 -5.587 4.237 -4.665 255 HB2 ARG 35 2HB ARG 35 -5.189 1.894 -4.123 256 HB3 ARG 35 1HB ARG 35 -5.324 2.241 -2.416 257 HG2 ARG 35 2HG ARG 35 -7.298 1.108 -3.199 258 HG3 ARG 35 1HG ARG 35 -7.706 2.749 -2.717 259 HD2 ARG 35 2HD ARG 35 -7.169 1.992 -5.589 260 HD3 ARG 35 1HD ARG 35 -8.769 1.870 -4.860 261 HE ARG 35 HE ARG 35 -7.954 4.396 -4.318 262 HH11 ARG 35 1HH1 ARG 35 -8.395 2.565 -7.315 263 HH12 ARG 35 2HH1 ARG 35 -8.800 3.920 -8.259 264 HH21 ARG 35 1HH2 ARG 35 -8.565 6.259 -5.607 265 HH22 ARG 35 2HH2 ARG 35 -8.931 6.074 -7.244 266 H GLY 36 HN GLY 36 -4.339 5.560 -1.825 267 HA2 GLY 36 2HA GLY 36 -6.956 6.173 -0.682 268 HA3 GLY 36 1HA GLY 36 -5.394 6.489 0.061 269 H PHE 37 HN PHE 37 -7.460 8.386 -0.097 270 HA PHE 37 HA PHE 37 -7.114 10.191 -2.299 271 HB2 PHE 37 2HB PHE 37 -8.068 11.018 0.440 272 HB3 PHE 37 1HB PHE 37 -8.550 11.657 -1.120 273 HD1 PHE 37 1HD PHE 37 -9.399 9.568 1.540 274 HD2 PHE 37 2HD PHE 37 -9.864 9.983 -2.656 275 HE1 PHE 37 1HE PHE 37 -11.329 8.106 1.640 276 HE2 PHE 37 2HE PHE 37 -11.831 8.504 -2.586 277 HZ PHE 37 HZ PHE 37 -12.575 7.553 -0.434 278 H ARG 38 HN ARG 38 -5.887 9.782 0.909 279 HA ARG 38 HA ARG 38 -4.326 12.220 0.921 280 HB2 ARG 38 2HB ARG 38 -4.593 10.000 2.952 281 HB3 ARG 38 1HB ARG 38 -3.722 11.506 3.210 282 HG2 ARG 38 2HG ARG 38 -5.795 12.763 2.890 283 HG3 ARG 38 1HG ARG 38 -6.665 11.251 2.640 284 HD2 ARG 38 2HD ARG 38 -5.164 11.964 5.146 285 HD3 ARG 38 1HD ARG 38 -6.890 12.218 4.912 286 HE ARG 38 HE ARG 38 -6.246 9.536 4.370 287 HH11 ARG 38 1HH1 ARG 38 -6.517 11.786 7.099 288 HH12 ARG 38 2HH1 ARG 38 -6.908 10.572 8.225 289 HH21 ARG 38 1HH2 ARG 38 -6.855 7.862 5.973 290 HH22 ARG 38 2HH2 ARG 38 -7.131 8.358 7.578 291 H ARG 39 HN ARG 39 -3.812 9.946 -0.889 292 HA ARG 39 HA ARG 39 -2.180 8.776 -1.827 293 HB2 ARG 39 2HB ARG 39 -0.383 10.850 -0.545 294 HB3 ARG 39 1HB ARG 39 0.095 9.765 -1.844 295 HG2 ARG 39 2HG ARG 39 -1.681 10.736 -3.267 296 HG3 ARG 39 1HG ARG 39 -2.043 11.882 -1.983 297 HD2 ARG 39 2HD ARG 39 0.596 11.616 -3.414 298 HD3 ARG 39 1HD ARG 39 -0.626 12.835 -3.745 299 HE ARG 39 HE ARG 39 0.090 12.963 -1.033 300 HH11 ARG 39 1HH1 ARG 39 1.314 13.774 -4.261 301 HH12 ARG 39 2HH1 ARG 39 2.425 14.926 -3.716 302 HH21 ARG 39 1HH2 ARG 39 1.633 14.608 -0.270 303 HH22 ARG 39 2HH2 ARG 39 2.633 15.383 -1.401 304 H ARG 40 HN ARG 40 -2.964 7.273 -0.175 305 HA ARG 40 HA ARG 40 -0.964 6.457 1.811 306 HB2 ARG 40 2HB ARG 40 -3.208 6.788 2.717 307 HB3 ARG 40 1HB ARG 40 -3.885 5.792 1.458 308 HG2 ARG 40 2HG ARG 40 -3.870 4.586 3.551 309 HG3 ARG 40 1HG ARG 40 -2.785 3.820 2.398 310 HD2 ARG 40 2HD ARG 40 -1.787 3.849 4.607 311 HD3 ARG 40 1HD ARG 40 -0.872 4.888 3.521 312 HE ARG 40 HE ARG 40 -2.582 6.596 4.674 313 HH11 ARG 40 1HH1 ARG 40 -0.564 4.101 6.213 314 HH12 ARG 40 2HH1 ARG 40 -0.123 5.077 7.534 315 HH21 ARG 40 1HH2 ARG 40 -2.023 7.905 6.503 316 HH22 ARG 40 2HH2 ARG 40 -1.015 7.308 7.730 317 H CYS 41 HN CYS 41 0.101 4.596 1.593 318 HA CYS 41 HA CYS 41 0.040 3.143 -0.833 319 HB2 CYS 41 2HB CYS 41 2.077 3.383 0.537 320 HB3 CYS 41 1HB CYS 41 1.305 2.502 1.845 321 H PHE 42 HN PHE 42 -1.092 1.388 -1.329 322 HA PHE 42 HA PHE 42 -2.583 -0.004 0.760 323 HB2 PHE 42 2HB PHE 42 -3.435 0.836 -1.980 324 HB3 PHE 42 1HB PHE 42 -4.108 -0.603 -1.241 325 HD1 PHE 42 1HD PHE 42 -6.158 -0.350 -0.265 326 HD2 PHE 42 2HD PHE 42 -3.487 2.958 -0.240 327 HE1 PHE 42 1HE PHE 42 -7.860 1.001 0.862 328 HE2 PHE 42 2HE PHE 42 -5.193 4.319 0.900 329 HZ PHE 42 HZ PHE 42 -7.381 3.342 1.449 330 H CYS 43 HN CYS 43 -1.990 -1.906 0.988 331 HA CYS 43 HA CYS 43 -0.213 -3.211 -0.833 332 HB2 CYS 43 2HB CYS 43 -1.562 -4.199 1.679 333 HB3 CYS 43 1HB CYS 43 -0.262 -5.018 0.824 334 H THR 44 HN THR 44 -0.847 -4.409 -2.448 335 HA THR 44 HA THR 44 -3.668 -5.049 -2.712 336 HB THR 44 HB THR 44 -1.433 -5.422 -4.720 337 HG1 THR 44 1HG THR 44 -2.079 -3.186 -3.738 338 HG21 THR 44 1HG2 THR 44 -3.275 -5.341 -6.353 339 HG22 THR 44 2HG2 THR 44 -4.435 -5.123 -5.046 340 HG23 THR 44 3HG2 THR 44 -3.545 -6.637 -5.189 341 H THR 45 HN THR 45 -4.212 -6.913 -1.806 342 HA THR 45 HA THR 45 -2.322 -9.134 -1.916 343 HB THR 45 HB THR 45 -2.966 -8.364 0.365 344 HG1 THR 45 1HG THR 45 -4.141 -10.786 0.554 345 HG21 THR 45 1HG2 THR 45 -5.739 -9.302 -0.384 346 HG22 THR 45 2HG2 THR 45 -5.266 -7.638 -0.042 347 HG23 THR 45 3HG2 THR 45 -5.225 -8.848 1.242 348 H HIS 46 HN HIS 46 -3.360 -11.188 -2.217 349 HA HIS 46 HA HIS 46 -5.526 -10.870 -4.145 350 HB2 HIS 46 2HB HIS 46 -3.451 -11.980 -4.960 351 HB3 HIS 46 1HB HIS 46 -3.689 -13.248 -3.766 352 HD1 HIS 46 1HD HIS 46 -4.919 -15.257 -4.636 353 HD2 HIS 46 2HD HIS 46 -5.762 -11.820 -6.804 354 HE1 HIS 46 1HE HIS 46 -6.399 -15.989 -6.538 355 H CYS 47 HN CYS 47 -7.450 -11.457 -3.629 356 HA CYS 47 HA CYS 47 -7.855 -12.992 -1.267 357 HB2 CYS 47 2HB CYS 47 -9.760 -11.427 -3.004 358 HB3 CYS 47 1HB CYS 47 -10.305 -12.431 -1.662 Start of MODEL 2 1 H1 ARG 1 1HT ARG 1 -10.101 -12.147 -6.335 2 H2 ARG 1 2HT ARG 1 -9.002 -12.655 -7.485 3 H3 ARG 1 3HT ARG 1 -10.604 -12.405 -7.933 4 HA ARG 1 HA ARG 1 -9.149 -10.655 -8.705 5 HB2 ARG 1 2HB ARG 1 -10.350 -8.703 -7.779 6 HB3 ARG 1 1HB ARG 1 -11.460 -9.999 -8.186 7 HG2 ARG 1 2HG ARG 1 -11.802 -10.543 -5.896 8 HG3 ARG 1 1HG ARG 1 -10.421 -9.556 -5.409 9 HD2 ARG 1 2HD ARG 1 -12.916 -8.442 -6.687 10 HD3 ARG 1 1HD ARG 1 -12.643 -8.506 -4.944 11 HE ARG 1 HE ARG 1 -10.429 -7.252 -5.970 12 HH11 ARG 1 1HH1 ARG 1 -13.915 -6.520 -5.971 13 HH12 ARG 1 2HH1 ARG 1 -13.642 -4.836 -6.095 14 HH21 ARG 1 1HH2 ARG 1 -10.147 -4.940 -6.135 15 HH22 ARG 1 2HH2 ARG 1 -11.525 -3.954 -6.193 16 H THR 2 HN THR 2 -8.100 -8.548 -7.866 17 HA THR 2 HA THR 2 -6.475 -9.168 -5.566 18 HB THR 2 HB THR 2 -5.308 -6.993 -6.398 19 HG1 THR 2 1HG THR 2 -6.058 -7.561 -8.949 20 HG21 THR 2 1HG2 THR 2 -3.997 -8.282 -8.044 21 HG22 THR 2 2HG2 THR 2 -5.254 -9.518 -8.071 22 HG23 THR 2 3HG2 THR 2 -4.326 -9.237 -6.598 23 H CYS 3 HN CYS 3 -6.277 -7.651 -3.870 24 HA CYS 3 HA CYS 3 -8.386 -5.656 -3.605 25 HB2 CYS 3 2HB CYS 3 -7.752 -7.941 -1.721 26 HB3 CYS 3 1HB CYS 3 -8.692 -6.519 -1.227 27 H GLN 4 HN GLN 4 -7.847 -4.344 -1.579 28 HA GLN 4 HA GLN 4 -4.986 -4.337 -1.014 29 HB2 GLN 4 2HB GLN 4 -6.642 -1.924 -1.743 30 HB3 GLN 4 1HB GLN 4 -5.033 -1.890 -1.033 31 HG2 GLN 4 2HG GLN 4 -4.107 -2.959 -2.979 32 HG3 GLN 4 1HG GLN 4 -5.715 -3.115 -3.694 33 HE21 GLN 4 1HE2 GLN 4 -3.107 -0.976 -2.944 34 HE22 GLN 4 2HE2 GLN 4 -3.686 0.359 -3.874 35 H SER 5 HN SER 5 -4.429 -3.454 0.929 36 HA SER 5 HA SER 5 -6.575 -2.734 2.751 37 HB2 SER 5 2HB SER 5 -5.284 -4.094 4.505 38 HB3 SER 5 1HB SER 5 -6.197 -5.007 3.300 39 HG SER 5 HG SER 5 -3.408 -4.549 3.423 40 H GLN 6 HN GLN 6 -5.931 -1.175 4.289 41 HA GLN 6 HA GLN 6 -3.861 0.520 3.392 42 HB2 GLN 6 2HB GLN 6 -4.331 1.862 5.432 43 HB3 GLN 6 1HB GLN 6 -5.779 1.485 4.515 44 HG2 GLN 6 2HG GLN 6 -6.316 -0.294 6.114 45 HG3 GLN 6 1HG GLN 6 -4.873 0.113 7.044 46 HE21 GLN 6 1HE2 GLN 6 -8.048 1.081 6.135 47 HE22 GLN 6 2HE2 GLN 6 -8.237 2.316 7.331 48 H SER 7 HN SER 7 -1.798 0.661 3.910 49 HA SER 7 HA SER 7 -0.480 -1.423 5.261 50 HB2 SER 7 2HB SER 7 1.506 0.142 5.053 51 HB3 SER 7 1HB SER 7 0.674 -0.229 3.538 52 HG SER 7 HG SER 7 -0.319 1.700 3.590 53 H HIS 8 HN HIS 8 0.613 -1.398 7.310 54 HA HIS 8 HA HIS 8 -0.697 0.483 9.117 55 HB2 HIS 8 2HB HIS 8 -1.126 -1.945 9.479 56 HB3 HIS 8 1HB HIS 8 0.594 -2.165 9.786 57 HD1 HIS 8 1HD HIS 8 1.472 -1.434 12.142 58 HD2 HIS 8 2HD HIS 8 -2.536 -0.576 11.448 59 HE1 HIS 8 1HE HIS 8 0.515 -0.791 14.363 60 H ARG 9 HN ARG 9 2.397 -1.060 8.411 61 HA ARG 9 HA ARG 9 3.669 0.739 10.341 62 HB2 ARG 9 2HB ARG 9 5.676 -0.620 10.116 63 HB3 ARG 9 1HB ARG 9 4.284 -1.642 10.423 64 HG2 ARG 9 2HG ARG 9 4.194 -2.145 7.992 65 HG3 ARG 9 1HG ARG 9 5.674 -1.198 7.815 66 HD2 ARG 9 2HD ARG 9 6.133 -3.590 7.922 67 HD3 ARG 9 1HD ARG 9 6.861 -2.743 9.299 68 HE ARG 9 HE ARG 9 4.354 -3.619 10.074 69 HH11 ARG 9 1HH1 ARG 9 7.419 -5.129 9.095 70 HH12 ARG 9 2HH1 ARG 9 7.097 -6.572 9.930 71 HH21 ARG 9 1HH2 ARG 9 3.951 -5.558 11.179 72 HH22 ARG 9 2HH2 ARG 9 5.072 -6.839 11.165 73 H PHE 10 HN PHE 10 2.647 1.568 7.638 74 HA PHE 10 HA PHE 10 5.119 2.533 6.374 75 HB2 PHE 10 2HB PHE 10 3.250 1.593 4.957 76 HB3 PHE 10 1HB PHE 10 2.246 2.931 5.493 77 HD1 PHE 10 1HD PHE 10 2.598 5.187 4.604 78 HD2 PHE 10 2HD PHE 10 5.098 1.955 3.450 79 HE1 PHE 10 1HE PHE 10 3.494 6.534 2.791 80 HE2 PHE 10 2HE PHE 10 6.004 3.304 1.635 81 HZ PHE 10 HZ PHE 10 5.201 5.612 1.291 82 H ARG 11 HN ARG 11 5.708 4.658 6.454 83 HA ARG 11 HA ARG 11 3.866 6.462 7.814 84 HB2 ARG 11 2HB ARG 11 5.853 7.616 8.788 85 HB3 ARG 11 1HB ARG 11 5.581 5.996 9.404 86 HG2 ARG 11 2HG ARG 11 7.347 5.156 7.926 87 HG3 ARG 11 1HG ARG 11 7.628 6.798 7.350 88 HD2 ARG 11 2HD ARG 11 8.193 7.515 9.588 89 HD3 ARG 11 1HD ARG 11 7.847 5.902 10.208 90 HE ARG 11 HE ARG 11 9.710 5.425 8.328 91 HH11 ARG 11 1HH1 ARG 11 9.677 7.598 11.131 92 HH12 ARG 11 2HH1 ARG 11 11.363 7.602 11.330 93 HH21 ARG 11 1HH2 ARG 11 11.984 5.389 8.635 94 HH22 ARG 11 2HH2 ARG 11 12.730 6.268 9.885 95 H GLY 12 HN GLY 12 3.389 8.257 6.756 96 HA2 GLY 12 2HA GLY 12 4.007 10.177 5.529 97 HA3 GLY 12 1HA GLY 12 5.263 9.234 4.730 98 HA PRO 13 HA PRO 13 1.623 9.139 1.969 99 HB2 PRO 13 2HB PRO 13 2.521 10.575 -0.062 100 HB3 PRO 13 1HB PRO 13 1.949 11.356 1.414 101 HG2 PRO 13 2HG PRO 13 4.745 10.946 0.469 102 HG3 PRO 13 1HG PRO 13 4.060 12.294 1.390 103 HD2 PRO 13 2HD PRO 13 5.496 10.087 2.438 104 HD3 PRO 13 1HD PRO 13 4.579 11.289 3.365 105 H CYS 14 HN CYS 14 1.351 7.973 0.013 106 HA CYS 14 HA CYS 14 3.286 5.910 -0.379 107 HB2 CYS 14 2HB CYS 14 1.675 4.956 -1.950 108 HB3 CYS 14 1HB CYS 14 0.887 5.441 -0.453 109 H LEU 15 HN LEU 15 3.581 8.893 -1.389 110 HA LEU 15 HA LEU 15 3.804 9.031 -4.159 111 HB2 LEU 15 2HB LEU 15 5.570 10.340 -2.090 112 HB3 LEU 15 1HB LEU 15 5.528 10.784 -3.783 113 HG LEU 15 HG LEU 15 3.223 11.046 -1.855 114 HD11 LEU 15 1HD1 LEU 15 5.057 13.130 -3.026 115 HD12 LEU 15 2HD1 LEU 15 5.002 12.608 -1.342 116 HD13 LEU 15 3HD1 LEU 15 3.624 13.449 -2.050 117 HD21 LEU 15 1HD2 LEU 15 3.520 11.940 -4.723 118 HD22 LEU 15 2HD2 LEU 15 2.177 12.343 -3.658 119 HD23 LEU 15 3HD2 LEU 15 2.448 10.669 -4.132 120 H ARG 16 HN ARG 16 6.125 7.870 -1.798 121 HA ARG 16 HA ARG 16 7.824 6.932 -3.949 122 HB2 ARG 16 2HB ARG 16 8.145 6.608 -0.948 123 HB3 ARG 16 1HB ARG 16 9.323 6.125 -2.153 124 HG2 ARG 16 2HG ARG 16 8.445 8.944 -1.552 125 HG3 ARG 16 1HG ARG 16 9.976 8.203 -1.091 126 HD2 ARG 16 2HD ARG 16 10.560 7.940 -3.457 127 HD3 ARG 16 1HD ARG 16 9.017 8.659 -3.919 128 HE ARG 16 HE ARG 16 10.684 10.246 -2.192 129 HH11 ARG 16 1HH1 ARG 16 9.816 9.555 -5.571 130 HH12 ARG 16 2HH1 ARG 16 10.307 11.072 -6.144 131 HH21 ARG 16 1HH2 ARG 16 11.351 12.338 -3.005 132 HH22 ARG 16 2HH2 ARG 16 11.199 12.666 -4.673 133 H ARG 17 HN ARG 17 6.661 5.463 -4.919 134 HA ARG 17 HA ARG 17 4.974 3.632 -3.557 135 HB2 ARG 17 2HB ARG 17 5.838 3.658 -6.453 136 HB3 ARG 17 1HB ARG 17 4.552 2.655 -5.787 137 HG2 ARG 17 2HG ARG 17 3.308 4.652 -5.144 138 HG3 ARG 17 1HG ARG 17 4.597 5.666 -5.781 139 HD2 ARG 17 2HD ARG 17 4.198 4.731 -8.008 140 HD3 ARG 17 1HD ARG 17 2.877 3.759 -7.355 141 HE ARG 17 HE ARG 17 2.521 6.467 -6.710 142 HH11 ARG 17 1HH1 ARG 17 2.325 4.334 -9.522 143 HH12 ARG 17 2HH1 ARG 17 1.097 5.240 -10.298 144 HH21 ARG 17 1HH2 ARG 17 0.812 7.702 -7.796 145 HH22 ARG 17 2HH2 ARG 17 0.226 7.150 -9.296 146 H SER 18 HN SER 18 8.249 3.580 -4.533 147 HA SER 18 HA SER 18 8.685 0.816 -4.435 148 HB2 SER 18 2HB SER 18 11.076 1.666 -3.921 149 HB3 SER 18 1HB SER 18 10.349 2.104 -5.469 150 HG SER 18 HG SER 18 11.350 3.830 -4.348 151 H ASN 19 HN ASN 19 8.814 3.389 -2.039 152 HA ASN 19 HA ASN 19 9.541 1.858 0.230 153 HB2 ASN 19 2HB ASN 19 7.829 4.356 0.054 154 HB3 ASN 19 1HB ASN 19 8.376 3.647 1.559 155 HD21 ASN 19 1HD2 ASN 19 9.375 5.544 2.094 156 HD22 ASN 19 2HD2 ASN 19 10.856 6.051 1.384 157 H CYS 20 HN CYS 20 6.472 2.850 -1.109 158 HA CYS 20 HA CYS 20 4.715 1.741 0.724 159 HB2 CYS 20 2HB CYS 20 4.149 3.339 -1.108 160 HB3 CYS 20 1HB CYS 20 4.336 2.031 -2.263 161 H ALA 21 HN ALA 21 5.922 0.274 -2.310 162 HA ALA 21 HA ALA 21 4.673 -2.205 -1.903 163 HB1 ALA 21 1HB ALA 21 6.102 -3.010 -3.702 164 HB2 ALA 21 2HB ALA 21 7.108 -1.564 -3.561 165 HB3 ALA 21 3HB ALA 21 5.436 -1.425 -4.095 166 H ASN 22 HN ASN 22 7.833 -0.983 -0.971 167 HA ASN 22 HA ASN 22 8.972 -3.432 -0.125 168 HB2 ASN 22 2HB ASN 22 10.290 -1.358 -0.468 169 HB3 ASN 22 1HB ASN 22 9.513 -0.649 0.940 170 HD21 ASN 22 1HD2 ASN 22 11.389 -0.375 2.091 171 HD22 ASN 22 2HD2 ASN 22 12.320 -1.677 2.705 172 H VAL 23 HN VAL 23 7.297 -0.886 1.695 173 HA VAL 23 HA VAL 23 7.392 -2.158 4.186 174 HB VAL 23 HB VAL 23 5.489 -0.055 3.121 175 HG11 VAL 23 1HG1 VAL 23 4.404 -1.208 4.967 176 HG12 VAL 23 2HG1 VAL 23 4.957 0.384 5.517 177 HG13 VAL 23 3HG1 VAL 23 5.877 -1.069 5.917 178 HG21 VAL 23 1HG2 VAL 23 7.807 0.655 3.253 179 HG22 VAL 23 2HG2 VAL 23 7.901 0.108 4.925 180 HG23 VAL 23 3HG2 VAL 23 6.861 1.463 4.502 181 H CYS 24 HN CYS 24 4.831 -2.120 1.731 182 HA CYS 24 HA CYS 24 3.122 -3.811 3.134 183 HB2 CYS 24 2HB CYS 24 3.415 -3.239 0.202 184 HB3 CYS 24 1HB CYS 24 2.149 -4.289 0.826 185 H ARG 25 HN ARG 25 5.854 -4.516 1.053 186 HA ARG 25 HA ARG 25 5.371 -7.285 0.953 187 HB2 ARG 25 2HB ARG 25 6.842 -6.110 -0.641 188 HB3 ARG 25 1HB ARG 25 7.981 -5.796 0.656 189 HG2 ARG 25 2HG ARG 25 8.561 -8.084 0.820 190 HG3 ARG 25 1HG ARG 25 7.200 -8.570 -0.195 191 HD2 ARG 25 2HD ARG 25 9.524 -6.869 -1.091 192 HD3 ARG 25 1HD ARG 25 9.324 -8.586 -1.446 193 HE ARG 25 HE ARG 25 7.018 -7.504 -2.331 194 HH11 ARG 25 1HH1 ARG 25 10.406 -6.805 -3.087 195 HH12 ARG 25 2HH1 ARG 25 10.075 -6.190 -4.636 196 HH21 ARG 25 1HH2 ARG 25 6.568 -6.662 -4.391 197 HH22 ARG 25 2HH2 ARG 25 7.812 -6.096 -5.410 198 H THR 26 HN THR 26 7.229 -5.249 3.182 199 HA THR 26 HA THR 26 8.101 -7.431 4.729 200 HB THR 26 HB THR 26 8.566 -5.770 6.563 201 HG1 THR 26 1HG THR 26 6.889 -4.208 5.097 202 HG21 THR 26 1HG2 THR 26 9.563 -5.014 3.815 203 HG22 THR 26 2HG2 THR 26 10.254 -6.248 4.867 204 HG23 THR 26 3HG2 THR 26 10.318 -4.550 5.340 205 H GLU 27 HN GLU 27 5.047 -5.724 4.700 206 HA GLU 27 HA GLU 27 4.220 -7.075 7.100 207 HB2 GLU 27 2HB GLU 27 2.752 -5.216 5.251 208 HB3 GLU 27 1HB GLU 27 1.879 -6.121 6.489 209 HG2 GLU 27 2HG GLU 27 3.575 -5.098 8.116 210 HG3 GLU 27 1HG GLU 27 3.973 -4.007 6.796 211 H GLY 28 HN GLY 28 4.758 -8.306 4.211 212 HA2 GLY 28 2HA GLY 28 4.382 -10.610 3.820 213 HA3 GLY 28 1HA GLY 28 2.959 -10.526 4.841 214 H PHE 29 HN PHE 29 3.443 -8.155 2.367 215 HA PHE 29 HA PHE 29 1.363 -9.461 0.773 216 HB2 PHE 29 2HB PHE 29 2.007 -6.523 1.116 217 HB3 PHE 29 1HB PHE 29 0.817 -7.143 -0.023 218 HD1 PHE 29 1HD PHE 29 -1.085 -8.483 0.891 219 HD2 PHE 29 2HD PHE 29 1.424 -6.096 3.334 220 HE1 PHE 29 1HE PHE 29 -2.792 -8.496 2.619 221 HE2 PHE 29 2HE PHE 29 -0.288 -6.082 5.099 222 HZ PHE 29 HZ PHE 29 -2.407 -7.283 4.756 223 HA PRO 30 HA PRO 30 4.242 -9.577 -2.609 224 HB2 PRO 30 2HB PRO 30 2.655 -8.770 -4.732 225 HB3 PRO 30 1HB PRO 30 2.690 -10.410 -4.081 226 HG2 PRO 30 2HG PRO 30 0.741 -8.206 -3.567 227 HG3 PRO 30 1HG PRO 30 0.439 -9.940 -3.766 228 HD2 PRO 30 2HD PRO 30 0.445 -8.774 -1.338 229 HD3 PRO 30 1HD PRO 30 1.041 -10.421 -1.587 230 H GLY 31 HN GLY 31 2.121 -6.705 -2.671 231 HA2 GLY 31 2HA GLY 31 4.402 -4.975 -2.789 232 HA3 GLY 31 1HA GLY 31 3.428 -4.994 -4.257 233 H GLY 32 HN GLY 32 3.377 -2.654 -3.376 234 HA2 GLY 32 2HA GLY 32 0.816 -2.300 -2.139 235 HA3 GLY 32 1HA GLY 32 2.197 -1.637 -1.251 236 H ARG 33 HN ARG 33 -0.041 -0.336 -2.675 237 HA ARG 33 HA ARG 33 1.559 1.473 -4.286 238 HB2 ARG 33 2HB ARG 33 -0.049 1.379 -6.150 239 HB3 ARG 33 1HB ARG 33 0.786 -0.148 -5.918 240 HG2 ARG 33 2HG ARG 33 -1.117 -1.129 -4.900 241 HG3 ARG 33 1HG ARG 33 -1.940 0.426 -4.809 242 HD2 ARG 33 2HD ARG 33 -1.152 -0.969 -7.348 243 HD3 ARG 33 1HD ARG 33 -2.765 -1.011 -6.634 244 HE ARG 33 HE ARG 33 -1.956 1.657 -6.965 245 HH11 ARG 33 1HH1 ARG 33 -2.985 -1.133 -8.829 246 HH12 ARG 33 2HH1 ARG 33 -3.565 -0.257 -10.163 247 HH21 ARG 33 1HH2 ARG 33 -2.759 2.942 -8.811 248 HH22 ARG 33 2HH2 ARG 33 -3.434 2.134 -10.142 249 H CYS 34 HN CYS 34 -0.148 3.214 -5.149 250 HA CYS 34 HA CYS 34 -1.443 4.243 -2.802 251 HB2 CYS 34 2HB CYS 34 -1.300 5.274 -5.644 252 HB3 CYS 34 1HB CYS 34 -1.988 6.154 -4.283 253 H ARG 35 HN ARG 35 -3.686 4.618 -2.624 254 HA ARG 35 HA ARG 35 -5.284 3.131 -4.578 255 HB2 ARG 35 2HB ARG 35 -5.398 2.063 -2.392 256 HB3 ARG 35 1HB ARG 35 -5.842 3.578 -1.640 257 HG2 ARG 35 2HG ARG 35 -7.754 2.093 -1.824 258 HG3 ARG 35 1HG ARG 35 -7.997 3.536 -2.797 259 HD2 ARG 35 2HD ARG 35 -6.981 0.940 -3.953 260 HD3 ARG 35 1HD ARG 35 -8.698 1.309 -3.831 261 HE ARG 35 HE ARG 35 -7.982 3.400 -5.171 262 HH11 ARG 35 1HH1 ARG 35 -6.541 0.185 -5.657 263 HH12 ARG 35 2HH1 ARG 35 -6.388 0.364 -7.327 264 HH21 ARG 35 1HH2 ARG 35 -7.683 3.677 -7.419 265 HH22 ARG 35 2HH2 ARG 35 -6.996 2.427 -8.373 266 H GLY 36 HN GLY 36 -6.110 5.542 -2.095 267 HA2 GLY 36 2HA GLY 36 -7.703 6.869 -4.082 268 HA3 GLY 36 1HA GLY 36 -7.665 7.237 -2.368 269 H PHE 37 HN PHE 37 -7.666 9.393 -3.612 270 HA PHE 37 HA PHE 37 -5.134 10.188 -4.714 271 HB2 PHE 37 2HB PHE 37 -7.279 11.009 -5.655 272 HB3 PHE 37 1HB PHE 37 -7.614 11.841 -4.147 273 HD1 PHE 37 1HD PHE 37 -6.982 14.075 -3.918 274 HD2 PHE 37 2HD PHE 37 -5.090 11.680 -6.883 275 HE1 PHE 37 1HE PHE 37 -5.810 16.057 -4.769 276 HE2 PHE 37 2HE PHE 37 -3.917 13.666 -7.741 277 HZ PHE 37 HZ PHE 37 -4.276 15.857 -6.679 278 H ARG 38 HN ARG 38 -6.124 9.782 -1.580 279 HA ARG 38 HA ARG 38 -4.741 12.147 -0.680 280 HB2 ARG 38 2HB ARG 38 -6.293 10.130 0.945 281 HB3 ARG 38 1HB ARG 38 -5.506 11.561 1.605 282 HG2 ARG 38 2HG ARG 38 -6.875 12.920 -0.016 283 HG3 ARG 38 1HG ARG 38 -7.794 11.460 -0.341 284 HD2 ARG 38 2HD ARG 38 -7.485 12.805 2.341 285 HD3 ARG 38 1HD ARG 38 -8.879 12.916 1.278 286 HE ARG 38 HE ARG 38 -8.421 10.227 1.843 287 HH11 ARG 38 1HH1 ARG 38 -9.529 13.203 3.411 288 HH12 ARG 38 2HH1 ARG 38 -10.362 12.416 4.673 289 HH21 ARG 38 1HH2 ARG 38 -9.614 9.133 3.590 290 HH22 ARG 38 2HH2 ARG 38 -10.431 10.043 4.765 291 H ARG 39 HN ARG 39 -3.643 9.550 -1.785 292 HA ARG 39 HA ARG 39 -1.638 8.545 -1.842 293 HB2 ARG 39 2HB ARG 39 -0.706 10.924 -0.235 294 HB3 ARG 39 1HB ARG 39 0.363 9.722 -0.917 295 HG2 ARG 39 2HG ARG 39 0.491 11.469 -2.426 296 HG3 ARG 39 1HG ARG 39 -0.697 10.409 -3.182 297 HD2 ARG 39 2HD ARG 39 -1.405 12.745 -3.262 298 HD3 ARG 39 1HD ARG 39 -2.499 11.789 -2.254 299 HE ARG 39 HE ARG 39 -0.317 13.110 -0.923 300 HH11 ARG 39 1HH1 ARG 39 -3.732 13.331 -1.822 301 HH12 ARG 39 2HH1 ARG 39 -4.135 14.369 -0.521 302 HH21 ARG 39 1HH2 ARG 39 -0.876 14.548 0.823 303 HH22 ARG 39 2HH2 ARG 39 -2.480 15.075 0.998 304 H ARG 40 HN ARG 40 -3.253 7.433 0.162 305 HA ARG 40 HA ARG 40 -1.223 6.823 2.153 306 HB2 ARG 40 2HB ARG 40 -3.479 7.266 3.055 307 HB3 ARG 40 1HB ARG 40 -4.137 5.967 2.082 308 HG2 ARG 40 2HG ARG 40 -3.094 4.315 3.381 309 HG3 ARG 40 1HG ARG 40 -1.976 5.483 4.080 310 HD2 ARG 40 2HD ARG 40 -3.649 4.789 5.698 311 HD3 ARG 40 1HD ARG 40 -3.780 6.503 5.336 312 HE ARG 40 HE ARG 40 -5.615 5.413 3.699 313 HH11 ARG 40 1HH1 ARG 40 -4.994 5.119 7.168 314 HH12 ARG 40 2HH1 ARG 40 -6.598 4.787 7.589 315 HH21 ARG 40 1HH2 ARG 40 -7.834 5.019 4.263 316 HH22 ARG 40 2HH2 ARG 40 -8.287 4.729 5.884 317 H CYS 41 HN CYS 41 -0.333 4.805 2.387 318 HA CYS 41 HA CYS 41 -0.098 3.414 -0.097 319 HB2 CYS 41 2HB CYS 41 1.870 3.834 1.310 320 HB3 CYS 41 1HB CYS 41 1.151 2.902 2.612 321 H PHE 42 HN PHE 42 -1.200 1.721 -0.710 322 HA PHE 42 HA PHE 42 -2.611 0.162 1.299 323 HB2 PHE 42 2HB PHE 42 -3.524 1.252 -1.311 324 HB3 PHE 42 1HB PHE 42 -4.191 -0.268 -0.755 325 HD1 PHE 42 1HD PHE 42 -5.958 -0.296 0.718 326 HD2 PHE 42 2HD PHE 42 -3.710 3.279 0.270 327 HE1 PHE 42 1HE PHE 42 -7.598 0.902 2.105 328 HE2 PHE 42 2HE PHE 42 -5.349 4.485 1.651 329 HZ PHE 42 HZ PHE 42 -7.287 3.297 2.574 330 H CYS 43 HN CYS 43 -2.120 -1.802 1.353 331 HA CYS 43 HA CYS 43 -0.102 -2.878 -0.378 332 HB2 CYS 43 2HB CYS 43 -1.565 -4.090 1.958 333 HB3 CYS 43 1HB CYS 43 -0.073 -4.685 1.233 334 H THR 44 HN THR 44 -0.465 -4.253 -1.997 335 HA THR 44 HA THR 44 -3.165 -4.901 -2.695 336 HB THR 44 HB THR 44 -0.568 -5.630 -4.077 337 HG1 THR 44 1HG THR 44 -0.789 -3.684 -5.156 338 HG21 THR 44 1HG2 THR 44 -1.989 -5.756 -6.087 339 HG22 THR 44 2HG2 THR 44 -3.405 -5.355 -5.116 340 HG23 THR 44 3HG2 THR 44 -2.560 -6.880 -4.852 341 H THR 45 HN THR 45 -4.092 -6.782 -2.326 342 HA THR 45 HA THR 45 -2.485 -9.110 -1.714 343 HB THR 45 HB THR 45 -3.216 -8.055 0.447 344 HG1 THR 45 1HG THR 45 -4.425 -10.104 1.128 345 HG21 THR 45 1HG2 THR 45 -5.363 -7.105 -0.297 346 HG22 THR 45 2HG2 THR 45 -5.590 -8.161 1.096 347 HG23 THR 45 3HG2 THR 45 -6.004 -8.733 -0.520 348 H HIS 46 HN HIS 46 -4.270 -11.029 -1.565 349 HA HIS 46 HA HIS 46 -5.726 -10.758 -4.117 350 HB2 HIS 46 2HB HIS 46 -3.761 -12.301 -4.057 351 HB3 HIS 46 1HB HIS 46 -4.601 -13.259 -2.850 352 HD1 HIS 46 1HD HIS 46 -4.222 -12.800 -6.459 353 HD2 HIS 46 2HD HIS 46 -6.903 -14.631 -3.885 354 HE1 HIS 46 1HE HIS 46 -5.534 -14.412 -7.863 355 H CYS 47 HN CYS 47 -7.878 -11.289 -4.200 356 HA CYS 47 HA CYS 47 -9.018 -12.527 -1.849 357 HB2 CYS 47 2HB CYS 47 -10.325 -10.474 -3.625 358 HB3 CYS 47 1HB CYS 47 -11.143 -11.355 -2.346 Start of MODEL 3 1 H1 ARG 1 1HT ARG 1 -10.048 -12.108 -7.307 2 H2 ARG 1 2HT ARG 1 -9.395 -11.880 -5.777 3 H3 ARG 1 3HT ARG 1 -8.383 -11.918 -7.126 4 HA ARG 1 HA ARG 1 -9.400 -9.882 -7.973 5 HB2 ARG 1 2HB ARG 1 -10.691 -9.878 -5.233 6 HB3 ARG 1 1HB ARG 1 -10.742 -8.561 -6.387 7 HG2 ARG 1 2HG ARG 1 -11.959 -11.279 -6.800 8 HG3 ARG 1 1HG ARG 1 -12.831 -9.842 -6.271 9 HD2 ARG 1 2HD ARG 1 -12.195 -8.727 -8.387 10 HD3 ARG 1 1HD ARG 1 -11.410 -10.223 -8.902 11 HE ARG 1 HE ARG 1 -13.882 -11.023 -8.259 12 HH11 ARG 1 1HH1 ARG 1 -12.677 -8.540 -10.484 13 HH12 ARG 1 2HH1 ARG 1 -14.062 -8.598 -11.481 14 HH21 ARG 1 1HH2 ARG 1 -15.743 -11.070 -9.633 15 HH22 ARG 1 2HH2 ARG 1 -15.818 -10.049 -11.001 16 H THR 2 HN THR 2 -7.976 -8.192 -7.669 17 HA THR 2 HA THR 2 -6.129 -8.531 -5.492 18 HB THR 2 HB THR 2 -4.970 -6.520 -6.521 19 HG1 THR 2 1HG THR 2 -7.228 -6.364 -7.874 20 HG21 THR 2 1HG2 THR 2 -4.227 -8.801 -6.984 21 HG22 THR 2 2HG2 THR 2 -4.059 -7.792 -8.422 22 HG23 THR 2 3HG2 THR 2 -5.401 -8.929 -8.294 23 H CYS 3 HN CYS 3 -6.467 -7.697 -3.639 24 HA CYS 3 HA CYS 3 -8.292 -5.458 -3.337 25 HB2 CYS 3 2HB CYS 3 -7.495 -7.753 -1.532 26 HB3 CYS 3 1HB CYS 3 -8.438 -6.368 -0.961 27 H GLN 4 HN GLN 4 -7.589 -3.752 -2.153 28 HA GLN 4 HA GLN 4 -4.711 -3.753 -1.537 29 HB2 GLN 4 2HB GLN 4 -6.400 -1.338 -2.302 30 HB3 GLN 4 1HB GLN 4 -4.679 -1.357 -1.994 31 HG2 GLN 4 2HG GLN 4 -4.904 -1.153 -4.266 32 HG3 GLN 4 1HG GLN 4 -4.420 -2.827 -3.996 33 HE21 GLN 4 1HE2 GLN 4 -5.284 -3.498 -6.024 34 HE22 GLN 4 2HE2 GLN 4 -6.988 -3.593 -6.258 35 H SER 5 HN SER 5 -4.291 -3.711 0.485 36 HA SER 5 HA SER 5 -6.294 -2.712 2.365 37 HB2 SER 5 2HB SER 5 -4.018 -4.665 2.760 38 HB3 SER 5 1HB SER 5 -5.214 -4.200 3.969 39 HG SER 5 HG SER 5 -6.076 -5.945 3.201 40 H GLN 6 HN GLN 6 -5.817 -0.846 3.278 41 HA GLN 6 HA GLN 6 -3.565 0.699 2.804 42 HB2 GLN 6 2HB GLN 6 -5.675 1.641 3.430 43 HB3 GLN 6 1HB GLN 6 -5.610 0.851 4.998 44 HG2 GLN 6 2HG GLN 6 -3.816 2.284 5.694 45 HG3 GLN 6 1HG GLN 6 -3.694 2.975 4.079 46 HE21 GLN 6 1HE2 GLN 6 -6.807 2.263 5.455 47 HE22 GLN 6 2HE2 GLN 6 -7.296 3.889 5.696 48 H SER 7 HN SER 7 -1.579 0.772 3.602 49 HA SER 7 HA SER 7 -0.891 -1.049 5.682 50 HB2 SER 7 2HB SER 7 1.472 -0.163 5.145 51 HB3 SER 7 1HB SER 7 0.636 -1.093 3.903 52 HG SER 7 HG SER 7 1.151 0.562 2.763 53 H HIS 8 HN HIS 8 -0.767 -0.596 7.709 54 HA HIS 8 HA HIS 8 -1.293 2.064 8.615 55 HB2 HIS 8 2HB HIS 8 -2.357 0.091 9.653 56 HB3 HIS 8 1HB HIS 8 -0.773 -0.460 10.186 57 HD1 HIS 8 1HD HIS 8 -0.342 0.097 12.591 58 HD2 HIS 8 2HD HIS 8 -2.836 2.864 10.747 59 HE1 HIS 8 1HE HIS 8 -0.980 1.729 14.368 60 H ARG 9 HN ARG 9 1.435 -0.175 8.724 61 HA ARG 9 HA ARG 9 2.987 1.610 10.398 62 HB2 ARG 9 2HB ARG 9 4.767 -0.022 10.283 63 HB3 ARG 9 1HB ARG 9 3.250 -0.845 10.599 64 HG2 ARG 9 2HG ARG 9 3.137 -1.597 8.310 65 HG3 ARG 9 1HG ARG 9 4.553 -0.633 7.903 66 HD2 ARG 9 2HD ARG 9 4.517 -2.920 9.862 67 HD3 ARG 9 1HD ARG 9 5.046 -3.044 8.193 68 HE ARG 9 HE ARG 9 6.432 -1.008 9.681 69 HH11 ARG 9 1HH1 ARG 9 6.431 -4.496 8.897 70 HH12 ARG 9 2HH1 ARG 9 8.072 -4.710 9.270 71 HH21 ARG 9 1HH2 ARG 9 8.729 -1.335 10.158 72 HH22 ARG 9 2HH2 ARG 9 9.398 -2.884 9.996 73 H PHE 10 HN PHE 10 2.133 2.174 7.484 74 HA PHE 10 HA PHE 10 4.673 2.615 6.178 75 HB2 PHE 10 2HB PHE 10 2.745 1.845 4.869 76 HB3 PHE 10 1HB PHE 10 1.836 3.269 5.349 77 HD1 PHE 10 1HD PHE 10 4.918 2.231 3.576 78 HD2 PHE 10 2HD PHE 10 1.878 5.156 4.026 79 HE1 PHE 10 1HE PHE 10 5.785 3.421 1.637 80 HE2 PHE 10 2HE PHE 10 2.742 6.358 2.075 81 HZ PHE 10 HZ PHE 10 4.701 5.495 0.872 82 H ARG 11 HN ARG 11 5.295 4.795 5.443 83 HA ARG 11 HA ARG 11 4.300 6.876 7.244 84 HB2 ARG 11 2HB ARG 11 6.511 7.742 7.432 85 HB3 ARG 11 1HB ARG 11 6.503 6.051 7.899 86 HG2 ARG 11 2HG ARG 11 7.337 5.530 5.590 87 HG3 ARG 11 1HG ARG 11 7.570 7.268 5.375 88 HD2 ARG 11 2HD ARG 11 9.637 6.491 6.141 89 HD3 ARG 11 1HD ARG 11 8.769 7.198 7.528 90 HE ARG 11 HE ARG 11 8.221 4.464 7.343 91 HH11 ARG 11 1HH1 ARG 11 10.696 6.703 8.466 92 HH12 ARG 11 2HH1 ARG 11 11.454 5.577 9.501 93 HH21 ARG 11 1HH2 ARG 11 9.229 2.926 8.753 94 HH22 ARG 11 2HH2 ARG 11 10.592 3.350 9.673 95 H GLY 12 HN GLY 12 3.609 8.670 6.289 96 HA2 GLY 12 2HA GLY 12 3.460 10.400 4.822 97 HA3 GLY 12 1HA GLY 12 4.836 9.736 3.963 98 HA PRO 13 HA PRO 13 1.249 9.114 1.192 99 HB2 PRO 13 2HB PRO 13 2.274 10.232 -0.974 100 HB3 PRO 13 1HB PRO 13 1.611 11.232 0.325 101 HG2 PRO 13 2HG PRO 13 4.464 10.574 -0.293 102 HG3 PRO 13 1HG PRO 13 3.760 12.133 0.171 103 HD2 PRO 13 2HD PRO 13 5.042 10.461 1.920 104 HD3 PRO 13 1HD PRO 13 3.787 11.617 2.399 105 H CYS 14 HN CYS 14 1.074 7.812 -0.682 106 HA CYS 14 HA CYS 14 2.903 5.618 -0.758 107 HB2 CYS 14 2HB CYS 14 1.392 4.713 -2.517 108 HB3 CYS 14 1HB CYS 14 0.569 5.167 -1.029 109 H LEU 15 HN LEU 15 3.188 8.553 -2.123 110 HA LEU 15 HA LEU 15 4.066 8.004 -4.729 111 HB2 LEU 15 2HB LEU 15 4.632 10.285 -2.853 112 HB3 LEU 15 1HB LEU 15 5.436 10.180 -4.399 113 HG LEU 15 HG LEU 15 3.197 10.255 -5.518 114 HD11 LEU 15 1HD1 LEU 15 1.242 10.932 -4.312 115 HD12 LEU 15 2HD1 LEU 15 2.138 10.954 -2.805 116 HD13 LEU 15 3HD1 LEU 15 1.848 9.417 -3.632 117 HD21 LEU 15 1HD2 LEU 15 3.854 12.552 -3.698 118 HD22 LEU 15 2HD2 LEU 15 2.798 12.635 -5.107 119 HD23 LEU 15 3HD2 LEU 15 4.510 12.266 -5.308 120 H ARG 16 HN ARG 16 5.634 7.764 -1.641 121 HA ARG 16 HA ARG 16 8.176 7.095 -2.840 122 HB2 ARG 16 2HB ARG 16 8.046 8.227 -0.611 123 HB3 ARG 16 1HB ARG 16 7.216 6.812 0.013 124 HG2 ARG 16 2HG ARG 16 9.212 5.466 -0.343 125 HG3 ARG 16 1HG ARG 16 10.048 6.878 -1.000 126 HD2 ARG 16 2HD ARG 16 9.900 8.032 1.083 127 HD3 ARG 16 1HD ARG 16 8.838 6.798 1.755 128 HE ARG 16 HE ARG 16 11.270 5.637 0.976 129 HH11 ARG 16 1HH1 ARG 16 10.091 7.928 3.386 130 HH12 ARG 16 2HH1 ARG 16 11.152 7.423 4.609 131 HH21 ARG 16 1HH2 ARG 16 12.703 4.899 2.704 132 HH22 ARG 16 2HH2 ARG 16 12.645 5.659 4.233 133 H ARG 17 HN ARG 17 7.400 5.588 -4.167 134 HA ARG 17 HA ARG 17 5.751 3.421 -3.540 135 HB2 ARG 17 2HB ARG 17 7.593 3.908 -5.858 136 HB3 ARG 17 1HB ARG 17 6.413 2.601 -5.789 137 HG2 ARG 17 2HG ARG 17 4.594 4.081 -5.832 138 HG3 ARG 17 1HG ARG 17 5.602 5.462 -5.397 139 HD2 ARG 17 2HD ARG 17 5.766 3.929 -7.979 140 HD3 ARG 17 1HD ARG 17 4.948 5.483 -7.769 141 HE ARG 17 HE ARG 17 7.404 5.978 -6.834 142 HH11 ARG 17 1HH1 ARG 17 6.294 4.672 -9.940 143 HH12 ARG 17 2HH1 ARG 17 7.695 5.158 -10.781 144 HH21 ARG 17 1HH2 ARG 17 9.264 6.649 -7.977 145 HH22 ARG 17 2HH2 ARG 17 9.418 6.325 -9.650 146 H SER 18 HN SER 18 9.232 3.729 -3.479 147 HA SER 18 HA SER 18 9.771 0.960 -3.387 148 HB2 SER 18 2HB SER 18 11.488 2.654 -3.951 149 HB3 SER 18 1HB SER 18 11.419 3.261 -2.299 150 HG SER 18 HG SER 18 11.856 0.665 -2.108 151 H ASN 19 HN ASN 19 9.103 3.393 -0.925 152 HA ASN 19 HA ASN 19 9.620 1.642 1.282 153 HB2 ASN 19 2HB ASN 19 9.707 4.105 1.508 154 HB3 ASN 19 1HB ASN 19 7.985 4.186 1.184 155 HD21 ASN 19 1HD2 ASN 19 9.545 1.756 3.286 156 HD22 ASN 19 2HD2 ASN 19 8.806 2.342 4.716 157 H CYS 20 HN CYS 20 6.780 2.672 -0.506 158 HA CYS 20 HA CYS 20 4.789 1.391 0.978 159 HB2 CYS 20 2HB CYS 20 4.324 3.059 -0.773 160 HB3 CYS 20 1HB CYS 20 4.935 1.965 -1.998 161 H ALA 21 HN ALA 21 6.587 0.215 -1.880 162 HA ALA 21 HA ALA 21 5.435 -2.346 -1.848 163 HB1 ALA 21 1HB ALA 21 7.162 -2.919 -3.457 164 HB2 ALA 21 2HB ALA 21 8.061 -1.461 -3.036 165 HB3 ALA 21 3HB ALA 21 6.492 -1.331 -3.824 166 H ASN 22 HN ASN 22 8.272 -0.995 -0.250 167 HA ASN 22 HA ASN 22 9.438 -3.434 0.604 168 HB2 ASN 22 2HB ASN 22 10.612 -1.250 0.649 169 HB3 ASN 22 1HB ASN 22 9.557 -0.729 1.951 170 HD21 ASN 22 1HD2 ASN 22 11.198 -0.440 3.404 171 HD22 ASN 22 2HD2 ASN 22 12.060 -1.742 4.120 172 H VAL 23 HN VAL 23 7.294 -1.141 2.264 173 HA VAL 23 HA VAL 23 7.008 -2.522 4.671 174 HB VAL 23 HB VAL 23 5.153 -0.562 3.272 175 HG11 VAL 23 1HG1 VAL 23 3.972 -0.316 5.416 176 HG12 VAL 23 2HG1 VAL 23 4.910 -1.658 6.079 177 HG13 VAL 23 3HG1 VAL 23 3.783 -1.938 4.753 178 HG21 VAL 23 1HG2 VAL 23 7.277 0.357 4.005 179 HG22 VAL 23 2HG2 VAL 23 7.014 -0.284 5.626 180 HG23 VAL 23 3HG2 VAL 23 5.964 0.985 5.003 181 H CYS 24 HN CYS 24 4.956 -2.530 1.801 182 HA CYS 24 HA CYS 24 3.167 -4.432 2.735 183 HB2 CYS 24 2HB CYS 24 3.959 -3.656 -0.059 184 HB3 CYS 24 1HB CYS 24 2.589 -4.701 0.291 185 H ARG 25 HN ARG 25 6.219 -4.822 1.013 186 HA ARG 25 HA ARG 25 5.994 -7.573 0.516 187 HB2 ARG 25 2HB ARG 25 7.615 -6.139 -0.598 188 HB3 ARG 25 1HB ARG 25 8.456 -5.888 0.919 189 HG2 ARG 25 2HG ARG 25 9.047 -8.263 0.981 190 HG3 ARG 25 1HG ARG 25 8.209 -8.511 -0.546 191 HD2 ARG 25 2HD ARG 25 10.613 -8.239 -0.884 192 HD3 ARG 25 1HD ARG 25 9.696 -6.953 -1.655 193 HE ARG 25 HE ARG 25 10.485 -6.257 0.975 194 HH11 ARG 25 1HH1 ARG 25 11.683 -6.511 -2.311 195 HH12 ARG 25 2HH1 ARG 25 12.905 -5.349 -2.154 196 HH21 ARG 25 1HH2 ARG 25 12.135 -4.568 1.243 197 HH22 ARG 25 2HH2 ARG 25 13.176 -4.224 -0.061 198 H THR 26 HN THR 26 7.470 -5.820 3.264 199 HA THR 26 HA THR 26 8.231 -8.266 4.480 200 HB THR 26 HB THR 26 9.537 -6.276 5.045 201 HG1 THR 26 1HG THR 26 8.144 -7.564 7.133 202 HG21 THR 26 1HG2 THR 26 8.634 -4.518 6.521 203 HG22 THR 26 2HG2 THR 26 7.048 -5.284 6.452 204 HG23 THR 26 3HG2 THR 26 7.753 -4.587 4.993 205 H GLU 27 HN GLU 27 5.309 -6.369 4.601 206 HA GLU 27 HA GLU 27 4.357 -7.844 6.859 207 HB2 GLU 27 2HB GLU 27 2.859 -6.017 4.964 208 HB3 GLU 27 1HB GLU 27 2.173 -6.726 6.422 209 HG2 GLU 27 2HG GLU 27 4.438 -4.753 6.258 210 HG3 GLU 27 1HG GLU 27 2.803 -4.443 6.829 211 H GLY 28 HN GLY 28 4.792 -8.672 3.701 212 HA2 GLY 28 2HA GLY 28 4.503 -10.938 3.050 213 HA3 GLY 28 1HA GLY 28 3.105 -11.036 4.106 214 H PHE 29 HN PHE 29 3.547 -8.386 1.868 215 HA PHE 29 HA PHE 29 1.399 -9.522 0.251 216 HB2 PHE 29 2HB PHE 29 1.922 -6.623 0.925 217 HB3 PHE 29 1HB PHE 29 0.657 -7.195 -0.164 218 HD1 PHE 29 1HD PHE 29 -0.945 -8.932 0.810 219 HD2 PHE 29 2HD PHE 29 1.442 -6.341 3.164 220 HE1 PHE 29 1HE PHE 29 -2.445 -9.290 2.677 221 HE2 PHE 29 2HE PHE 29 -0.056 -6.680 5.076 222 HZ PHE 29 HZ PHE 29 -2.010 -8.162 4.854 223 HA PRO 30 HA PRO 30 4.160 -9.586 -3.148 224 HB2 PRO 30 2HB PRO 30 2.342 -9.099 -5.169 225 HB3 PRO 30 1HB PRO 30 2.630 -10.674 -4.423 226 HG2 PRO 30 2HG PRO 30 0.486 -8.669 -3.853 227 HG3 PRO 30 1HG PRO 30 0.371 -10.434 -3.963 228 HD2 PRO 30 2HD PRO 30 0.412 -9.213 -1.588 229 HD3 PRO 30 1HD PRO 30 1.265 -10.745 -1.833 230 H GLY 31 HN GLY 31 2.085 -6.769 -2.757 231 HA2 GLY 31 2HA GLY 31 4.197 -5.027 -3.438 232 HA3 GLY 31 1HA GLY 31 3.043 -5.141 -4.762 233 H GLY 32 HN GLY 32 3.095 -2.765 -3.980 234 HA2 GLY 32 2HA GLY 32 0.683 -2.419 -2.404 235 HA3 GLY 32 1HA GLY 32 2.140 -1.575 -1.872 236 H ARG 33 HN ARG 33 -0.414 -0.556 -2.919 237 HA ARG 33 HA ARG 33 0.703 1.208 -4.921 238 HB2 ARG 33 2HB ARG 33 -1.268 0.984 -6.407 239 HB3 ARG 33 1HB ARG 33 -0.309 -0.485 -6.328 240 HG2 ARG 33 2HG ARG 33 -1.936 -1.594 -5.054 241 HG3 ARG 33 1HG ARG 33 -2.759 -0.084 -4.651 242 HD2 ARG 33 2HD ARG 33 -2.518 -1.157 -7.454 243 HD3 ARG 33 1HD ARG 33 -3.900 -1.476 -6.404 244 HE ARG 33 HE ARG 33 -3.893 1.149 -6.299 245 HH11 ARG 33 1HH1 ARG 33 -3.265 -0.801 -9.208 246 HH12 ARG 33 2HH1 ARG 33 -4.023 0.286 -10.251 247 HH21 ARG 33 1HH2 ARG 33 -4.974 2.618 -7.767 248 HH22 ARG 33 2HH2 ARG 33 -5.017 2.252 -9.423 249 H CYS 34 HN CYS 34 -1.260 2.779 -5.527 250 HA CYS 34 HA CYS 34 -2.086 3.863 -2.973 251 HB2 CYS 34 2HB CYS 34 -2.227 5.022 -5.762 252 HB3 CYS 34 1HB CYS 34 -2.566 5.882 -4.266 253 H ARG 35 HN ARG 35 -4.215 4.372 -2.521 254 HA ARG 35 HA ARG 35 -6.320 3.818 -4.461 255 HB2 ARG 35 2HB ARG 35 -6.407 1.769 -3.113 256 HB3 ARG 35 1HB ARG 35 -6.360 2.705 -1.622 257 HG2 ARG 35 2HG ARG 35 -8.556 3.716 -2.250 258 HG3 ARG 35 1HG ARG 35 -8.613 2.638 -3.637 259 HD2 ARG 35 2HD ARG 35 -8.386 1.659 -0.797 260 HD3 ARG 35 1HD ARG 35 -9.934 1.938 -1.580 261 HE ARG 35 HE ARG 35 -8.357 0.241 -3.172 262 HH11 ARG 35 1HH1 ARG 35 -10.246 0.211 -0.165 263 HH12 ARG 35 2HH1 ARG 35 -10.592 -1.444 -0.212 264 HH21 ARG 35 1HH2 ARG 35 -8.855 -2.055 -3.254 265 HH22 ARG 35 2HH2 ARG 35 -9.800 -2.761 -2.007 266 H GLY 36 HN GLY 36 -5.594 4.972 -1.202 267 HA2 GLY 36 2HA GLY 36 -7.728 6.745 -0.924 268 HA3 GLY 36 1HA GLY 36 -6.203 6.842 -0.057 269 H PHE 37 HN PHE 37 -8.043 8.805 -1.379 270 HA PHE 37 HA PHE 37 -6.892 9.980 -3.648 271 HB2 PHE 37 2HB PHE 37 -9.204 10.375 -2.869 272 HB3 PHE 37 1HB PHE 37 -8.580 11.241 -1.475 273 HD1 PHE 37 1HD PHE 37 -9.084 11.328 -5.092 274 HD2 PHE 37 2HD PHE 37 -7.779 13.511 -1.680 275 HE1 PHE 37 1HE PHE 37 -9.141 13.401 -6.391 276 HE2 PHE 37 2HE PHE 37 -7.838 15.588 -2.986 277 HZ PHE 37 HZ PHE 37 -8.516 15.532 -5.339 278 H ARG 38 HN ARG 38 -6.276 10.384 -0.235 279 HA ARG 38 HA ARG 38 -4.549 12.678 -0.610 280 HB2 ARG 38 2HB ARG 38 -4.963 10.973 1.860 281 HB3 ARG 38 1HB ARG 38 -4.165 12.533 1.799 282 HG2 ARG 38 2HG ARG 38 -6.195 13.639 1.218 283 HG3 ARG 38 1HG ARG 38 -7.039 12.103 1.037 284 HD2 ARG 38 2HD ARG 38 -6.637 11.654 3.424 285 HD3 ARG 38 1HD ARG 38 -5.907 13.254 3.579 286 HE ARG 38 HE ARG 38 -8.244 13.908 2.572 287 HH11 ARG 38 1HH1 ARG 38 -7.505 11.665 5.187 288 HH12 ARG 38 2HH1 ARG 38 -9.006 11.844 5.967 289 HH21 ARG 38 1HH2 ARG 38 -10.317 14.167 3.634 290 HH22 ARG 38 2HH2 ARG 38 -10.634 13.293 5.058 291 H ARG 39 HN ARG 39 -4.232 9.689 -1.448 292 HA ARG 39 HA ARG 39 -2.650 8.360 -2.141 293 HB2 ARG 39 2HB ARG 39 -0.824 10.724 -1.749 294 HB3 ARG 39 1HB ARG 39 -0.391 9.254 -2.610 295 HG2 ARG 39 2HG ARG 39 -2.632 11.123 -3.372 296 HG3 ARG 39 1HG ARG 39 -1.043 11.066 -4.136 297 HD2 ARG 39 2HD ARG 39 -1.442 8.832 -4.928 298 HD3 ARG 39 1HD ARG 39 -2.938 8.714 -4.012 299 HE ARG 39 HE ARG 39 -3.017 10.896 -5.781 300 HH11 ARG 39 1HH1 ARG 39 -3.114 7.372 -5.823 301 HH12 ARG 39 2HH1 ARG 39 -4.235 7.262 -7.089 302 HH21 ARG 39 1HH2 ARG 39 -4.589 10.756 -7.559 303 HH22 ARG 39 2HH2 ARG 39 -5.065 9.207 -8.097 304 H ARG 40 HN ARG 40 -3.217 7.259 -0.222 305 HA ARG 40 HA ARG 40 -0.916 6.938 1.567 306 HB2 ARG 40 2HB ARG 40 -3.160 7.343 2.611 307 HB3 ARG 40 1HB ARG 40 -3.749 5.896 1.832 308 HG2 ARG 40 2HG ARG 40 -3.285 5.424 4.139 309 HG3 ARG 40 1HG ARG 40 -2.128 4.563 3.126 310 HD2 ARG 40 2HD ARG 40 -0.457 6.309 3.568 311 HD3 ARG 40 1HD ARG 40 -1.629 7.156 4.582 312 HE ARG 40 HE ARG 40 -1.497 4.652 5.626 313 HH11 ARG 40 1HH1 ARG 40 0.938 7.199 5.032 314 HH12 ARG 40 2HH1 ARG 40 1.872 6.731 6.370 315 HH21 ARG 40 1HH2 ARG 40 -0.164 4.062 7.397 316 HH22 ARG 40 2HH2 ARG 40 1.283 4.928 7.706 317 H CYS 41 HN CYS 41 -0.068 4.793 1.841 318 HA CYS 41 HA CYS 41 -0.137 3.211 -0.544 319 HB2 CYS 41 2HB CYS 41 1.981 3.542 0.590 320 HB3 CYS 41 1HB CYS 41 1.327 2.886 2.080 321 H PHE 42 HN PHE 42 -1.190 1.425 -0.914 322 HA PHE 42 HA PHE 42 -2.500 0.015 1.274 323 HB2 PHE 42 2HB PHE 42 -3.594 0.601 -1.502 324 HB3 PHE 42 1HB PHE 42 -4.198 -0.613 -0.372 325 HD1 PHE 42 1HD PHE 42 -6.171 -0.105 0.475 326 HD2 PHE 42 2HD PHE 42 -3.366 3.028 -0.044 327 HE1 PHE 42 1HE PHE 42 -7.759 1.472 1.498 328 HE2 PHE 42 2HE PHE 42 -4.959 4.626 0.979 329 HZ PHE 42 HZ PHE 42 -7.154 3.840 1.744 330 H CYS 43 HN CYS 43 -1.716 -1.901 1.413 331 HA CYS 43 HA CYS 43 0.077 -3.034 -0.468 332 HB2 CYS 43 2HB CYS 43 -1.224 -4.162 2.005 333 HB3 CYS 43 1HB CYS 43 0.092 -4.926 1.114 334 H THR 44 HN THR 44 -0.307 -4.514 -1.981 335 HA THR 44 HA THR 44 -3.081 -5.057 -2.566 336 HB THR 44 HB THR 44 -0.603 -5.715 -4.166 337 HG1 THR 44 1HG THR 44 -1.534 -3.402 -3.497 338 HG21 THR 44 1HG2 THR 44 -3.518 -5.420 -4.962 339 HG22 THR 44 2HG2 THR 44 -2.654 -6.950 -4.825 340 HG23 THR 44 3HG2 THR 44 -2.186 -5.782 -6.059 341 H THR 45 HN THR 45 -3.975 -6.882 -2.083 342 HA THR 45 HA THR 45 -2.383 -9.280 -1.678 343 HB THR 45 HB THR 45 -2.874 -8.330 0.530 344 HG1 THR 45 1HG THR 45 -4.725 -10.168 0.881 345 HG21 THR 45 1HG2 THR 45 -4.812 -6.964 -0.067 346 HG22 THR 45 2HG2 THR 45 -5.146 -7.985 1.328 347 HG23 THR 45 3HG2 THR 45 -5.784 -8.426 -0.259 348 H HIS 46 HN HIS 46 -3.959 -11.172 -1.748 349 HA HIS 46 HA HIS 46 -5.835 -10.583 -3.909 350 HB2 HIS 46 2HB HIS 46 -4.042 -12.093 -4.572 351 HB3 HIS 46 1HB HIS 46 -4.442 -13.187 -3.251 352 HD1 HIS 46 1HD HIS 46 -6.195 -14.926 -3.724 353 HD2 HIS 46 2HD HIS 46 -6.028 -11.966 -6.619 354 HE1 HIS 46 1HE HIS 46 -7.778 -15.665 -5.539 355 H CYS 47 HN CYS 47 -7.886 -10.807 -3.628 356 HA CYS 47 HA CYS 47 -8.858 -12.276 -1.348 357 HB2 CYS 47 2HB CYS 47 -10.302 -10.367 -3.203 358 HB3 CYS 47 1HB CYS 47 -11.066 -11.218 -1.869 Start of MODEL 4 1 H1 ARG 1 1HT ARG 1 -8.005 -12.704 -7.300 2 H2 ARG 1 2HT ARG 1 -7.611 -11.736 -8.593 3 H3 ARG 1 3HT ARG 1 -8.980 -12.688 -8.684 4 HA ARG 1 HA ARG 1 -9.584 -10.401 -8.292 5 HB2 ARG 1 2HB ARG 1 -9.859 -12.063 -5.774 6 HB3 ARG 1 1HB ARG 1 -10.807 -10.635 -6.155 7 HG2 ARG 1 2HG ARG 1 -10.808 -13.172 -7.771 8 HG3 ARG 1 1HG ARG 1 -12.010 -12.753 -6.555 9 HD2 ARG 1 2HD ARG 1 -12.667 -10.812 -7.827 10 HD3 ARG 1 1HD ARG 1 -11.402 -11.116 -9.014 11 HE ARG 1 HE ARG 1 -13.238 -13.287 -8.628 12 HH11 ARG 1 1HH1 ARG 1 -12.639 -10.297 -10.456 13 HH12 ARG 1 2HH1 ARG 1 -13.597 -10.791 -11.772 14 HH21 ARG 1 1HH2 ARG 1 -14.568 -13.897 -10.461 15 HH22 ARG 1 2HH2 ARG 1 -14.706 -12.807 -11.761 16 H THR 2 HN THR 2 -8.396 -8.602 -7.997 17 HA THR 2 HA THR 2 -6.289 -8.626 -5.999 18 HB THR 2 HB THR 2 -7.024 -6.274 -7.675 19 HG1 THR 2 1HG THR 2 -6.535 -8.590 -8.709 20 HG21 THR 2 1HG2 THR 2 -4.393 -7.325 -6.639 21 HG22 THR 2 2HG2 THR 2 -5.307 -5.967 -5.985 22 HG23 THR 2 3HG2 THR 2 -4.591 -5.856 -7.594 23 H CYS 3 HN CYS 3 -6.282 -7.333 -4.306 24 HA CYS 3 HA CYS 3 -8.502 -5.556 -3.735 25 HB2 CYS 3 2HB CYS 3 -7.523 -7.785 -1.929 26 HB3 CYS 3 1HB CYS 3 -8.638 -6.519 -1.427 27 H GLN 4 HN GLN 4 -7.877 -4.192 -1.849 28 HA GLN 4 HA GLN 4 -5.002 -4.035 -1.490 29 HB2 GLN 4 2HB GLN 4 -6.792 -1.904 -2.532 30 HB3 GLN 4 1HB GLN 4 -5.397 -1.433 -1.600 31 HG2 GLN 4 2HG GLN 4 -4.003 -2.753 -3.213 32 HG3 GLN 4 1HG GLN 4 -5.461 -2.966 -4.187 33 HE21 GLN 4 1HE2 GLN 4 -3.091 -0.731 -3.028 34 HE22 GLN 4 2HE2 GLN 4 -3.475 0.552 -4.104 35 H SER 5 HN SER 5 -4.458 -3.890 0.520 36 HA SER 5 HA SER 5 -6.461 -3.008 2.491 37 HB2 SER 5 2HB SER 5 -5.764 -5.423 2.653 38 HB3 SER 5 1HB SER 5 -4.103 -4.890 2.886 39 HG SER 5 HG SER 5 -5.948 -5.234 4.707 40 H GLN 6 HN GLN 6 -5.857 -1.273 3.722 41 HA GLN 6 HA GLN 6 -3.712 0.300 2.853 42 HB2 GLN 6 2HB GLN 6 -4.248 1.784 4.736 43 HB3 GLN 6 1HB GLN 6 -5.672 1.305 3.828 44 HG2 GLN 6 2HG GLN 6 -6.213 -0.340 5.569 45 HG3 GLN 6 1HG GLN 6 -4.794 0.171 6.477 46 HE21 GLN 6 1HE2 GLN 6 -6.891 2.358 4.716 47 HE22 GLN 6 2HE2 GLN 6 -7.536 3.142 6.100 48 H SER 7 HN SER 7 -1.629 0.522 3.458 49 HA SER 7 HA SER 7 -0.361 -1.404 5.038 50 HB2 SER 7 2HB SER 7 0.659 1.356 4.422 51 HB3 SER 7 1HB SER 7 1.572 -0.154 4.530 52 HG SER 7 HG SER 7 0.792 -0.786 2.593 53 H HIS 8 HN HIS 8 0.244 -1.276 7.213 54 HA HIS 8 HA HIS 8 -1.166 0.831 8.669 55 HB2 HIS 8 2HB HIS 8 -1.744 -1.547 9.173 56 HB3 HIS 8 1HB HIS 8 -0.098 -1.784 9.750 57 HD1 HIS 8 1HD HIS 8 0.176 -1.439 12.246 58 HD2 HIS 8 2HD HIS 8 -3.117 0.559 10.685 59 HE1 HIS 8 1HE HIS 8 -0.979 -0.373 14.204 60 H ARG 9 HN ARG 9 1.999 -0.537 8.151 61 HA ARG 9 HA ARG 9 3.032 1.235 10.262 62 HB2 ARG 9 2HB ARG 9 5.063 -0.104 10.252 63 HB3 ARG 9 1HB ARG 9 3.651 -1.116 10.496 64 HG2 ARG 9 2HG ARG 9 3.762 -1.603 8.009 65 HG3 ARG 9 1HG ARG 9 5.360 -0.851 8.057 66 HD2 ARG 9 2HD ARG 9 5.475 -3.264 8.265 67 HD3 ARG 9 1HD ARG 9 6.077 -2.485 9.749 68 HE ARG 9 HE ARG 9 3.407 -3.700 9.401 69 HH11 ARG 9 1HH1 ARG 9 6.047 -2.810 11.559 70 HH12 ARG 9 2HH1 ARG 9 5.552 -3.842 12.811 71 HH21 ARG 9 1HH2 ARG 9 2.704 -5.075 11.130 72 HH22 ARG 9 2HH2 ARG 9 3.605 -5.150 12.571 73 H PHE 10 HN PHE 10 2.365 1.568 7.278 74 HA PHE 10 HA PHE 10 4.793 2.632 6.175 75 HB2 PHE 10 2HB PHE 10 2.970 1.645 4.792 76 HB3 PHE 10 1HB PHE 10 1.932 2.981 5.266 77 HD1 PHE 10 1HD PHE 10 2.065 5.070 4.165 78 HD2 PHE 10 2HD PHE 10 4.975 2.068 3.422 79 HE1 PHE 10 1HE PHE 10 2.912 6.362 2.274 80 HE2 PHE 10 2HE PHE 10 5.832 3.353 1.533 81 HZ PHE 10 HZ PHE 10 4.798 5.509 0.943 82 H ARG 11 HN ARG 11 5.453 4.702 6.203 83 HA ARG 11 HA ARG 11 3.738 6.666 7.547 84 HB2 ARG 11 2HB ARG 11 5.781 7.786 8.302 85 HB3 ARG 11 1HB ARG 11 5.697 6.134 8.892 86 HG2 ARG 11 2HG ARG 11 7.252 5.441 7.144 87 HG3 ARG 11 1HG ARG 11 7.353 7.107 6.575 88 HD2 ARG 11 2HD ARG 11 8.219 7.777 8.738 89 HD3 ARG 11 1HD ARG 11 8.102 6.107 9.299 90 HE ARG 11 HE ARG 11 9.732 6.716 6.949 91 HH11 ARG 11 1HH1 ARG 11 9.608 5.617 10.346 92 HH12 ARG 11 2HH1 ARG 11 11.207 5.049 10.341 93 HH21 ARG 11 1HH2 ARG 11 11.946 5.923 7.006 94 HH22 ARG 11 2HH2 ARG 11 12.550 5.243 8.437 95 H GLY 12 HN GLY 12 3.298 8.482 6.449 96 HA2 GLY 12 2HA GLY 12 3.783 10.276 5.027 97 HA3 GLY 12 1HA GLY 12 5.073 9.327 4.299 98 HA PRO 13 HA PRO 13 1.470 9.020 1.496 99 HB2 PRO 13 2HB PRO 13 2.353 10.397 -0.584 100 HB3 PRO 13 1HB PRO 13 1.726 11.231 0.839 101 HG2 PRO 13 2HG PRO 13 4.565 10.820 0.001 102 HG3 PRO 13 1HG PRO 13 3.817 12.237 0.756 103 HD2 PRO 13 2HD PRO 13 5.272 10.252 2.089 104 HD3 PRO 13 1HD PRO 13 4.181 11.424 2.853 105 H CYS 14 HN CYS 14 1.326 7.822 -0.466 106 HA CYS 14 HA CYS 14 3.305 5.743 -0.694 107 HB2 CYS 14 2HB CYS 14 1.736 4.765 -2.336 108 HB3 CYS 14 1HB CYS 14 0.979 5.161 -0.795 109 H LEU 15 HN LEU 15 3.586 8.653 -1.805 110 HA LEU 15 HA LEU 15 3.872 8.532 -4.604 111 HB2 LEU 15 2HB LEU 15 5.302 10.315 -2.640 112 HB3 LEU 15 1HB LEU 15 5.173 10.589 -4.366 113 HG LEU 15 HG LEU 15 2.862 10.567 -2.434 114 HD11 LEU 15 1HD1 LEU 15 4.266 12.855 -3.781 115 HD12 LEU 15 2HD1 LEU 15 4.277 12.478 -2.058 116 HD13 LEU 15 3HD1 LEU 15 2.779 12.978 -2.844 117 HD21 LEU 15 1HD2 LEU 15 2.177 9.860 -4.659 118 HD22 LEU 15 2HD2 LEU 15 2.974 11.266 -5.364 119 HD23 LEU 15 3HD2 LEU 15 1.574 11.482 -4.317 120 H ARG 16 HN ARG 16 5.900 7.491 -2.045 121 HA ARG 16 HA ARG 16 8.127 6.952 -3.861 122 HB2 ARG 16 2HB ARG 16 7.878 6.444 -0.876 123 HB3 ARG 16 1HB ARG 16 9.341 6.247 -1.824 124 HG2 ARG 16 2HG ARG 16 7.911 8.854 -1.317 125 HG3 ARG 16 1HG ARG 16 9.370 8.303 -0.499 126 HD2 ARG 16 2HD ARG 16 9.120 8.827 -3.466 127 HD3 ARG 16 1HD ARG 16 9.832 9.933 -2.299 128 HE ARG 16 HE ARG 16 11.221 7.627 -1.956 129 HH11 ARG 16 1HH1 ARG 16 10.557 9.633 -4.783 130 HH12 ARG 16 2HH1 ARG 16 12.051 9.343 -5.544 131 HH21 ARG 16 1HH2 ARG 16 13.259 7.204 -2.986 132 HH22 ARG 16 2HH2 ARG 16 13.647 7.917 -4.480 133 H ARG 17 HN ARG 17 7.577 5.284 -5.094 134 HA ARG 17 HA ARG 17 5.690 3.327 -4.383 135 HB2 ARG 17 2HB ARG 17 7.639 3.369 -6.671 136 HB3 ARG 17 1HB ARG 17 6.369 2.170 -6.483 137 HG2 ARG 17 2HG ARG 17 4.704 3.971 -6.538 138 HG3 ARG 17 1HG ARG 17 5.996 5.138 -6.837 139 HD2 ARG 17 2HD ARG 17 6.579 3.950 -8.895 140 HD3 ARG 17 1HD ARG 17 5.303 2.776 -8.577 141 HE ARG 17 HE ARG 17 4.308 5.432 -8.642 142 HH11 ARG 17 1HH1 ARG 17 5.293 2.756 -10.737 143 HH12 ARG 17 2HH1 ARG 17 4.350 3.246 -12.073 144 HH21 ARG 17 1HH2 ARG 17 3.002 6.103 -10.472 145 HH22 ARG 17 2HH2 ARG 17 3.007 5.187 -11.914 146 H SER 18 HN SER 18 9.229 3.188 -4.405 147 HA SER 18 HA SER 18 9.329 0.413 -3.949 148 HB2 SER 18 2HB SER 18 11.372 2.542 -3.278 149 HB3 SER 18 1HB SER 18 11.669 0.803 -3.354 150 HG SER 18 HG SER 18 11.777 0.905 -5.424 151 H ASN 19 HN ASN 19 9.130 3.193 -1.835 152 HA ASN 19 HA ASN 19 9.517 1.850 0.633 153 HB2 ASN 19 2HB ASN 19 7.965 4.376 -0.004 154 HB3 ASN 19 1HB ASN 19 8.199 3.775 1.627 155 HD21 ASN 19 1HD2 ASN 19 9.234 5.711 2.167 156 HD22 ASN 19 2HD2 ASN 19 10.849 6.049 1.649 157 H CYS 20 HN CYS 20 6.647 2.742 -1.185 158 HA CYS 20 HA CYS 20 4.665 1.711 0.463 159 HB2 CYS 20 2HB CYS 20 4.320 3.216 -1.491 160 HB3 CYS 20 1HB CYS 20 4.738 1.900 -2.568 161 H ALA 21 HN ALA 21 6.305 0.150 -2.297 162 HA ALA 21 HA ALA 21 4.985 -2.320 -2.070 163 HB1 ALA 21 1HB ALA 21 7.665 -1.720 -3.304 164 HB2 ALA 21 2HB ALA 21 6.104 -1.578 -4.113 165 HB3 ALA 21 3HB ALA 21 6.687 -3.158 -3.585 166 H ASN 22 HN ASN 22 8.158 -1.277 -0.820 167 HA ASN 22 HA ASN 22 8.731 -3.872 0.177 168 HB2 ASN 22 2HB ASN 22 10.116 -1.236 0.673 169 HB3 ASN 22 1HB ASN 22 10.663 -2.750 1.389 170 HD21 ASN 22 1HD2 ASN 22 12.002 -1.011 -0.558 171 HD22 ASN 22 2HD2 ASN 22 12.320 -1.992 -1.941 172 H VAL 23 HN VAL 23 7.291 -1.049 1.687 173 HA VAL 23 HA VAL 23 7.331 -2.169 4.294 174 HB VAL 23 HB VAL 23 5.515 -0.040 3.096 175 HG11 VAL 23 1HG1 VAL 23 5.785 -0.894 5.983 176 HG12 VAL 23 2HG1 VAL 23 4.364 -1.144 4.969 177 HG13 VAL 23 3HG1 VAL 23 4.858 0.491 5.411 178 HG21 VAL 23 1HG2 VAL 23 6.855 1.490 4.419 179 HG22 VAL 23 2HG2 VAL 23 7.870 0.574 3.303 180 HG23 VAL 23 3HG2 VAL 23 7.830 0.149 5.015 181 H CYS 24 HN CYS 24 4.957 -2.203 1.677 182 HA CYS 24 HA CYS 24 3.122 -3.812 3.012 183 HB2 CYS 24 2HB CYS 24 3.688 -3.320 0.123 184 HB3 CYS 24 1HB CYS 24 2.404 -4.418 0.611 185 H ARG 25 HN ARG 25 5.986 -4.645 1.183 186 HA ARG 25 HA ARG 25 5.671 -7.426 1.093 187 HB2 ARG 25 2HB ARG 25 7.467 -6.072 -0.044 188 HB3 ARG 25 1HB ARG 25 8.259 -5.922 1.515 189 HG2 ARG 25 2HG ARG 25 8.314 -8.453 1.568 190 HG3 ARG 25 1HG ARG 25 7.867 -8.394 -0.141 191 HD2 ARG 25 2HD ARG 25 10.252 -8.545 -0.001 192 HD3 ARG 25 1HD ARG 25 9.841 -6.905 -0.513 193 HE ARG 25 HE ARG 25 10.202 -7.353 2.331 194 HH11 ARG 25 1HH1 ARG 25 11.656 -6.094 -0.651 195 HH12 ARG 25 2HH1 ARG 25 12.870 -5.240 0.183 196 HH21 ARG 25 1HH2 ARG 25 11.892 -6.111 3.429 197 HH22 ARG 25 2HH2 ARG 25 12.988 -5.241 2.471 198 H THR 26 HN THR 26 7.062 -5.276 3.607 199 HA THR 26 HA THR 26 7.867 -7.196 5.397 200 HB THR 26 HB THR 26 6.936 -4.358 5.846 201 HG1 THR 26 1HG THR 26 8.624 -4.579 4.162 202 HG21 THR 26 1HG2 THR 26 7.264 -5.691 7.813 203 HG22 THR 26 2HG2 THR 26 8.499 -4.416 7.662 204 HG23 THR 26 3HG2 THR 26 8.890 -6.109 7.248 205 H GLU 27 HN GLU 27 4.770 -5.519 4.878 206 HA GLU 27 HA GLU 27 3.607 -6.688 7.214 207 HB2 GLU 27 2HB GLU 27 2.387 -4.962 5.049 208 HB3 GLU 27 1HB GLU 27 1.468 -5.573 6.433 209 HG2 GLU 27 2HG GLU 27 3.176 -4.447 7.879 210 HG3 GLU 27 1HG GLU 27 3.792 -3.680 6.424 211 H GLY 28 HN GLY 28 4.373 -8.107 4.434 212 HA2 GLY 28 2HA GLY 28 3.951 -10.436 4.176 213 HA3 GLY 28 1HA GLY 28 2.396 -10.212 4.952 214 H PHE 29 HN PHE 29 3.148 -7.928 2.529 215 HA PHE 29 HA PHE 29 1.311 -9.325 0.727 216 HB2 PHE 29 2HB PHE 29 1.770 -6.374 1.156 217 HB3 PHE 29 1HB PHE 29 0.682 -7.043 -0.058 218 HD1 PHE 29 1HD PHE 29 -1.170 -8.544 0.751 219 HD2 PHE 29 2HD PHE 29 1.014 -5.987 3.338 220 HE1 PHE 29 1HE PHE 29 -2.964 -8.688 2.368 221 HE2 PHE 29 2HE PHE 29 -0.789 -6.109 4.998 222 HZ PHE 29 HZ PHE 29 -2.796 -7.462 4.532 223 HA PRO 30 HA PRO 30 4.461 -9.329 -2.402 224 HB2 PRO 30 2HB PRO 30 3.015 -8.835 -4.674 225 HB3 PRO 30 1HB PRO 30 3.022 -10.394 -3.843 226 HG2 PRO 30 2HG PRO 30 1.014 -8.176 -3.690 227 HG3 PRO 30 1HG PRO 30 0.742 -9.923 -3.814 228 HD2 PRO 30 2HD PRO 30 0.519 -8.633 -1.461 229 HD3 PRO 30 1HD PRO 30 1.164 -10.274 -1.561 230 H GLY 31 HN GLY 31 2.356 -6.520 -2.218 231 HA2 GLY 31 2HA GLY 31 4.451 -4.697 -2.455 232 HA3 GLY 31 1HA GLY 31 3.692 -4.881 -4.034 233 H GLY 32 HN GLY 32 3.293 -2.542 -3.553 234 HA2 GLY 32 2HA GLY 32 0.646 -2.325 -2.386 235 HA3 GLY 32 1HA GLY 32 1.913 -1.251 -1.787 236 H ARG 33 HN ARG 33 -0.398 -0.386 -2.970 237 HA ARG 33 HA ARG 33 0.640 1.079 -5.269 238 HB2 ARG 33 2HB ARG 33 -0.592 -0.791 -6.266 239 HB3 ARG 33 1HB ARG 33 -1.953 -0.487 -5.189 240 HG2 ARG 33 2HG ARG 33 -2.246 1.712 -6.326 241 HG3 ARG 33 1HG ARG 33 -1.006 1.212 -7.473 242 HD2 ARG 33 2HD ARG 33 -2.358 -0.563 -8.288 243 HD3 ARG 33 1HD ARG 33 -3.517 -0.369 -6.968 244 HE ARG 33 HE ARG 33 -3.308 2.042 -8.347 245 HH11 ARG 33 1HH1 ARG 33 -4.595 -1.198 -8.928 246 HH12 ARG 33 2HH1 ARG 33 -5.829 -0.673 -9.966 247 HH21 ARG 33 1HH2 ARG 33 -5.017 2.776 -9.741 248 HH22 ARG 33 2HH2 ARG 33 -6.088 1.653 -10.431 249 H CYS 34 HN CYS 34 -0.682 3.020 -5.587 250 HA CYS 34 HA CYS 34 -1.576 4.123 -3.099 251 HB2 CYS 34 2HB CYS 34 -1.516 5.265 -5.893 252 HB3 CYS 34 1HB CYS 34 -2.082 6.157 -4.488 253 H ARG 35 HN ARG 35 -3.518 3.983 -2.324 254 HA ARG 35 HA ARG 35 -5.769 3.924 -4.205 255 HB2 ARG 35 2HB ARG 35 -5.479 1.643 -3.339 256 HB3 ARG 35 1HB ARG 35 -5.560 2.245 -1.695 257 HG2 ARG 35 2HG ARG 35 -7.650 1.182 -2.321 258 HG3 ARG 35 1HG ARG 35 -7.895 2.905 -2.050 259 HD2 ARG 35 2HD ARG 35 -9.117 2.167 -4.019 260 HD3 ARG 35 1HD ARG 35 -7.838 3.286 -4.479 261 HE ARG 35 HE ARG 35 -6.760 0.750 -4.714 262 HH11 ARG 35 1HH1 ARG 35 -9.442 2.502 -6.232 263 HH12 ARG 35 2HH1 ARG 35 -9.376 1.580 -7.658 264 HH21 ARG 35 1HH2 ARG 35 -6.691 -0.452 -6.662 265 HH22 ARG 35 2HH2 ARG 35 -7.803 -0.094 -7.923 266 H GLY 36 HN GLY 36 -4.411 5.082 -1.245 267 HA2 GLY 36 2HA GLY 36 -6.797 6.286 -0.272 268 HA3 GLY 36 1HA GLY 36 -5.150 6.662 0.231 269 H PHE 37 HN PHE 37 -7.497 8.360 -0.512 270 HA PHE 37 HA PHE 37 -6.834 9.630 -2.973 271 HB2 PHE 37 2HB PHE 37 -9.143 9.623 -2.094 272 HB3 PHE 37 1HB PHE 37 -8.625 10.594 -0.722 273 HD1 PHE 37 1HD PHE 37 -8.878 12.888 -0.836 274 HD2 PHE 37 2HD PHE 37 -8.628 10.658 -4.452 275 HE1 PHE 37 1HE PHE 37 -9.297 14.937 -2.128 276 HE2 PHE 37 2HE PHE 37 -9.047 12.705 -5.746 277 HZ PHE 37 HZ PHE 37 -9.380 14.846 -4.579 278 H ARG 38 HN ARG 38 -5.885 10.020 0.323 279 HA ARG 38 HA ARG 38 -4.536 12.545 -0.232 280 HB2 ARG 38 2HB ARG 38 -4.644 10.884 2.306 281 HB3 ARG 38 1HB ARG 38 -3.880 12.450 2.153 282 HG2 ARG 38 2HG ARG 38 -5.993 13.511 1.728 283 HG3 ARG 38 1HG ARG 38 -6.808 11.946 1.700 284 HD2 ARG 38 2HD ARG 38 -5.339 13.089 4.069 285 HD3 ARG 38 1HD ARG 38 -7.086 13.155 3.837 286 HE ARG 38 HE ARG 38 -6.778 10.582 3.682 287 HH11 ARG 38 1HH1 ARG 38 -4.978 12.696 5.897 288 HH12 ARG 38 2HH1 ARG 38 -4.931 11.562 7.162 289 HH21 ARG 38 1HH2 ARG 38 -6.708 9.035 5.399 290 HH22 ARG 38 2HH2 ARG 38 -5.950 9.417 6.876 291 H ARG 39 HN ARG 39 -4.043 9.703 -1.151 292 HA ARG 39 HA ARG 39 -2.426 8.477 -1.977 293 HB2 ARG 39 2HB ARG 39 -0.540 10.738 -1.272 294 HB3 ARG 39 1HB ARG 39 -0.118 9.348 -2.264 295 HG2 ARG 39 2HG ARG 39 -2.193 11.439 -2.909 296 HG3 ARG 39 1HG ARG 39 -0.613 11.257 -3.674 297 HD2 ARG 39 2HD ARG 39 -1.251 9.114 -4.587 298 HD3 ARG 39 1HD ARG 39 -2.773 9.148 -3.707 299 HE ARG 39 HE ARG 39 -2.162 11.168 -5.727 300 HH11 ARG 39 1HH1 ARG 39 -4.299 8.618 -4.442 301 HH12 ARG 39 2HH1 ARG 39 -5.454 8.765 -5.658 302 HH21 ARG 39 1HH2 ARG 39 -3.831 11.444 -7.367 303 HH22 ARG 39 2HH2 ARG 39 -5.211 10.454 -7.336 304 H ARG 40 HN ARG 40 -3.198 7.307 -0.191 305 HA ARG 40 HA ARG 40 -1.099 6.706 1.747 306 HB2 ARG 40 2HB ARG 40 -3.407 7.025 2.594 307 HB3 ARG 40 1HB ARG 40 -3.946 5.723 1.551 308 HG2 ARG 40 2HG ARG 40 -3.750 4.912 3.813 309 HG3 ARG 40 1HG ARG 40 -2.517 4.152 2.808 310 HD2 ARG 40 2HD ARG 40 -0.877 5.800 3.624 311 HD3 ARG 40 1HD ARG 40 -2.125 6.487 4.666 312 HE ARG 40 HE ARG 40 -1.891 3.743 5.168 313 HH11 ARG 40 1HH1 ARG 40 -0.180 6.792 5.697 314 HH12 ARG 40 2HH1 ARG 40 0.668 6.261 7.071 315 HH21 ARG 40 1HH2 ARG 40 -0.703 2.985 7.042 316 HH22 ARG 40 2HH2 ARG 40 0.370 4.049 7.858 317 H CYS 41 HN CYS 41 -0.056 4.779 1.685 318 HA CYS 41 HA CYS 41 -0.164 3.231 -0.696 319 HB2 CYS 41 2HB CYS 41 1.950 3.594 0.561 320 HB3 CYS 41 1HB CYS 41 1.278 2.716 1.925 321 H PHE 42 HN PHE 42 -1.372 1.535 -1.068 322 HA PHE 42 HA PHE 42 -2.522 0.101 1.185 323 HB2 PHE 42 2HB PHE 42 -3.777 0.832 -1.457 324 HB3 PHE 42 1HB PHE 42 -4.214 -0.594 -0.522 325 HD1 PHE 42 1HD PHE 42 -6.248 -0.371 0.403 326 HD2 PHE 42 2HD PHE 42 -3.638 2.983 0.431 327 HE1 PHE 42 1HE PHE 42 -7.919 0.910 1.668 328 HE2 PHE 42 2HE PHE 42 -5.326 4.267 1.709 329 HZ PHE 42 HZ PHE 42 -7.453 3.227 2.315 330 H CYS 43 HN CYS 43 -1.850 -1.815 1.255 331 HA CYS 43 HA CYS 43 -0.009 -2.880 -0.559 332 HB2 CYS 43 2HB CYS 43 -1.490 -4.133 1.731 333 HB3 CYS 43 1HB CYS 43 -0.044 -4.772 0.951 334 H THR 44 HN THR 44 -0.360 -4.055 -2.255 335 HA THR 44 HA THR 44 -2.914 -4.769 -3.195 336 HB THR 44 HB THR 44 -0.169 -5.673 -4.092 337 HG1 THR 44 1HG THR 44 -0.006 -3.785 -5.158 338 HG21 THR 44 1HG2 THR 44 -2.060 -6.864 -5.138 339 HG22 THR 44 2HG2 THR 44 -1.240 -5.826 -6.306 340 HG23 THR 44 3HG2 THR 44 -2.773 -5.320 -5.600 341 H THR 45 HN THR 45 -3.956 -6.609 -2.720 342 HA THR 45 HA THR 45 -2.471 -8.919 -1.835 343 HB THR 45 HB THR 45 -3.086 -7.746 0.234 344 HG1 THR 45 1HG THR 45 -4.718 -9.429 0.991 345 HG21 THR 45 1HG2 THR 45 -5.413 -7.356 0.872 346 HG22 THR 45 2HG2 THR 45 -5.945 -7.962 -0.691 347 HG23 THR 45 3HG2 THR 45 -5.013 -6.466 -0.600 348 H HIS 46 HN HIS 46 -3.968 -10.793 -1.824 349 HA HIS 46 HA HIS 46 -5.871 -10.505 -4.029 350 HB2 HIS 46 2HB HIS 46 -3.921 -11.946 -4.509 351 HB3 HIS 46 1HB HIS 46 -4.325 -12.944 -3.119 352 HD1 HIS 46 1HD HIS 46 -6.251 -14.618 -3.394 353 HD2 HIS 46 2HD HIS 46 -5.561 -12.259 -6.727 354 HE1 HIS 46 1HE HIS 46 -7.683 -15.569 -5.188 355 H CYS 47 HN CYS 47 -7.934 -11.209 -3.757 356 HA CYS 47 HA CYS 47 -8.650 -12.242 -1.126 357 HB2 CYS 47 2HB CYS 47 -10.349 -10.826 -3.184 358 HB3 CYS 47 1HB CYS 47 -10.976 -11.517 -1.692 Start of MODEL 5 1 H1 ARG 1 1HT ARG 1 -9.691 -13.282 -6.871 2 H2 ARG 1 2HT ARG 1 -8.949 -12.847 -5.421 3 H3 ARG 1 3HT ARG 1 -8.053 -12.947 -6.820 4 HA ARG 1 HA ARG 1 -9.211 -11.092 -7.843 5 HB2 ARG 1 2HB ARG 1 -10.495 -10.752 -5.122 6 HB3 ARG 1 1HB ARG 1 -10.715 -9.716 -6.515 7 HG2 ARG 1 2HG ARG 1 -11.838 -11.585 -7.679 8 HG3 ARG 1 1HG ARG 1 -11.631 -12.544 -6.208 9 HD2 ARG 1 2HD ARG 1 -13.848 -11.656 -6.191 10 HD3 ARG 1 1HD ARG 1 -12.895 -10.845 -4.960 11 HE ARG 1 HE ARG 1 -12.790 -9.361 -7.334 12 HH11 ARG 1 1HH1 ARG 1 -15.068 -10.175 -4.744 13 HH12 ARG 1 2HH1 ARG 1 -16.009 -8.779 -4.907 14 HH21 ARG 1 1HH2 ARG 1 -14.090 -7.434 -7.588 15 HH22 ARG 1 2HH2 ARG 1 -15.446 -7.169 -6.592 16 H THR 2 HN THR 2 -8.001 -9.126 -7.709 17 HA THR 2 HA THR 2 -6.117 -8.980 -5.563 18 HB THR 2 HB THR 2 -5.479 -6.810 -6.811 19 HG1 THR 2 1HG THR 2 -6.273 -6.579 -8.840 20 HG21 THR 2 1HG2 THR 2 -5.269 -9.499 -8.173 21 HG22 THR 2 2HG2 THR 2 -4.159 -8.847 -6.967 22 HG23 THR 2 3HG2 THR 2 -4.274 -8.095 -8.557 23 H CYS 3 HN CYS 3 -6.464 -7.969 -3.723 24 HA CYS 3 HA CYS 3 -8.630 -6.010 -3.579 25 HB2 CYS 3 2HB CYS 3 -7.651 -7.993 -1.501 26 HB3 CYS 3 1HB CYS 3 -8.933 -6.797 -1.246 27 H GLN 4 HN GLN 4 -8.165 -4.121 -2.610 28 HA GLN 4 HA GLN 4 -5.370 -3.692 -1.829 29 HB2 GLN 4 2HB GLN 4 -7.435 -1.746 -2.855 30 HB3 GLN 4 1HB GLN 4 -5.925 -1.215 -2.164 31 HG2 GLN 4 2HG GLN 4 -5.605 -1.102 -4.473 32 HG3 GLN 4 1HG GLN 4 -4.802 -2.594 -4.004 33 HE21 GLN 4 1HE2 GLN 4 -5.640 -4.529 -4.738 34 HE22 GLN 4 2HE2 GLN 4 -6.883 -4.623 -5.936 35 H SER 5 HN SER 5 -4.931 -3.515 0.168 36 HA SER 5 HA SER 5 -6.953 -2.499 2.040 37 HB2 SER 5 2HB SER 5 -4.782 -4.554 2.557 38 HB3 SER 5 1HB SER 5 -6.080 -4.073 3.651 39 HG SER 5 HG SER 5 -6.638 -5.994 2.655 40 H GLN 6 HN GLN 6 -6.188 -0.716 3.191 41 HA GLN 6 HA GLN 6 -3.759 0.464 2.413 42 HB2 GLN 6 2HB GLN 6 -4.121 2.186 4.072 43 HB3 GLN 6 1HB GLN 6 -5.623 1.830 3.246 44 HG2 GLN 6 2HG GLN 6 -6.405 0.572 5.172 45 HG3 GLN 6 1HG GLN 6 -4.864 0.842 5.988 46 HE21 GLN 6 1HE2 GLN 6 -4.375 2.924 6.748 47 HE22 GLN 6 2HE2 GLN 6 -5.608 4.115 6.942 48 H SER 7 HN SER 7 -1.776 0.556 3.204 49 HA SER 7 HA SER 7 -0.735 -1.492 4.758 50 HB2 SER 7 2HB SER 7 0.389 1.256 4.363 51 HB3 SER 7 1HB SER 7 1.291 -0.261 4.542 52 HG SER 7 HG SER 7 0.659 -0.857 2.503 53 H HIS 8 HN HIS 8 0.117 -1.396 6.945 54 HA HIS 8 HA HIS 8 -1.493 0.397 8.603 55 HB2 HIS 8 2HB HIS 8 -0.064 -2.156 9.357 56 HB3 HIS 8 1HB HIS 8 -1.124 -1.216 10.399 57 HD1 HIS 8 1HD HIS 8 -1.136 -3.713 7.671 58 HD2 HIS 8 2HD HIS 8 -3.866 -1.446 9.807 59 HE1 HIS 8 1HE HIS 8 -3.418 -4.699 7.150 60 H ARG 9 HN ARG 9 1.755 -0.914 8.217 61 HA ARG 9 HA ARG 9 2.730 1.084 10.128 62 HB2 ARG 9 2HB ARG 9 4.844 -0.184 10.144 63 HB3 ARG 9 1HB ARG 9 3.476 -1.191 10.555 64 HG2 ARG 9 2HG ARG 9 3.499 -2.103 8.257 65 HG3 ARG 9 1HG ARG 9 4.914 -1.103 7.922 66 HD2 ARG 9 2HD ARG 9 4.766 -3.232 10.054 67 HD3 ARG 9 1HD ARG 9 5.496 -3.443 8.468 68 HE ARG 9 HE ARG 9 6.606 -1.203 9.793 69 HH11 ARG 9 1HH1 ARG 9 6.738 -4.753 9.876 70 HH12 ARG 9 2HH1 ARG 9 8.335 -4.814 10.463 71 HH21 ARG 9 1HH2 ARG 9 8.802 -1.311 10.629 72 HH22 ARG 9 2HH2 ARG 9 9.535 -2.808 10.921 73 H PHE 10 HN PHE 10 1.874 1.755 7.436 74 HA PHE 10 HA PHE 10 4.237 2.385 5.940 75 HB2 PHE 10 2HB PHE 10 2.170 1.964 4.740 76 HB3 PHE 10 1HB PHE 10 1.371 3.312 5.545 77 HD1 PHE 10 1HD PHE 10 4.050 2.388 3.133 78 HD2 PHE 10 2HD PHE 10 1.609 5.509 4.714 79 HE1 PHE 10 1HE PHE 10 4.818 3.859 1.399 80 HE2 PHE 10 2HE PHE 10 2.394 6.989 2.951 81 HZ PHE 10 HZ PHE 10 4.004 6.174 1.290 82 H ARG 11 HN ARG 11 5.359 4.192 5.853 83 HA ARG 11 HA ARG 11 4.538 6.429 7.522 84 HB2 ARG 11 2HB ARG 11 6.946 6.604 8.263 85 HB3 ARG 11 1HB ARG 11 6.023 5.273 8.944 86 HG2 ARG 11 2HG ARG 11 7.049 3.739 7.348 87 HG3 ARG 11 1HG ARG 11 7.968 5.076 6.655 88 HD2 ARG 11 2HD ARG 11 9.126 5.415 8.714 89 HD3 ARG 11 1HD ARG 11 8.113 4.218 9.524 90 HE ARG 11 HE ARG 11 9.095 2.655 7.739 91 HH11 ARG 11 1HH1 ARG 11 10.925 5.241 9.305 92 HH12 ARG 11 2HH1 ARG 11 12.418 4.442 9.189 93 HH21 ARG 11 1HH2 ARG 11 11.145 1.558 7.601 94 HH22 ARG 11 2HH2 ARG 11 12.552 2.298 8.218 95 H GLY 12 HN GLY 12 4.532 8.221 6.392 96 HA2 GLY 12 2HA GLY 12 5.830 9.881 5.265 97 HA3 GLY 12 1HA GLY 12 6.630 8.586 4.385 98 HA PRO 13 HA PRO 13 3.274 9.900 1.621 99 HB2 PRO 13 2HB PRO 13 4.766 10.678 -0.463 100 HB3 PRO 13 1HB PRO 13 4.514 11.726 0.936 101 HG2 PRO 13 2HG PRO 13 6.934 10.227 0.124 102 HG3 PRO 13 1HG PRO 13 6.798 11.694 1.102 103 HD2 PRO 13 2HD PRO 13 7.137 8.995 2.026 104 HD3 PRO 13 1HD PRO 13 6.932 10.461 3.002 105 H CYS 14 HN CYS 14 2.286 8.629 0.130 106 HA CYS 14 HA CYS 14 3.395 6.068 -0.536 107 HB2 CYS 14 2HB CYS 14 0.974 6.414 -0.183 108 HB3 CYS 14 1HB CYS 14 0.917 7.445 -1.601 109 H LEU 15 HN LEU 15 3.723 9.123 -1.821 110 HA LEU 15 HA LEU 15 3.844 8.703 -4.598 111 HB2 LEU 15 2HB LEU 15 5.241 10.762 -2.900 112 HB3 LEU 15 1HB LEU 15 5.081 10.828 -4.643 113 HG LEU 15 HG LEU 15 2.775 10.918 -2.691 114 HD11 LEU 15 1HD1 LEU 15 4.145 12.925 -2.573 115 HD12 LEU 15 2HD1 LEU 15 2.582 13.251 -3.316 116 HD13 LEU 15 3HD1 LEU 15 4.024 13.118 -4.324 117 HD21 LEU 15 1HD2 LEU 15 2.126 9.940 -4.829 118 HD22 LEU 15 2HD2 LEU 15 2.861 11.293 -5.686 119 HD23 LEU 15 3HD2 LEU 15 1.452 11.561 -4.664 120 H ARG 16 HN ARG 16 5.873 7.581 -2.198 121 HA ARG 16 HA ARG 16 7.957 7.047 -4.178 122 HB2 ARG 16 2HB ARG 16 8.153 6.799 -1.156 123 HB3 ARG 16 1HB ARG 16 9.462 6.584 -2.308 124 HG2 ARG 16 2HG ARG 16 8.043 9.153 -1.635 125 HG3 ARG 16 1HG ARG 16 9.705 8.714 -1.236 126 HD2 ARG 16 2HD ARG 16 8.594 9.105 -4.019 127 HD3 ARG 16 1HD ARG 16 9.602 10.250 -3.144 128 HE ARG 16 HE ARG 16 11.087 8.017 -3.137 129 HH11 ARG 16 1HH1 ARG 16 9.440 9.676 -5.824 130 HH12 ARG 16 2HH1 ARG 16 10.705 9.382 -6.922 131 HH21 ARG 16 1HH2 ARG 16 12.788 7.636 -4.677 132 HH22 ARG 16 2HH2 ARG 16 12.614 8.218 -6.277 133 H ARG 17 HN ARG 17 7.066 5.305 -5.137 134 HA ARG 17 HA ARG 17 5.488 3.470 -3.692 135 HB2 ARG 17 2HB ARG 17 5.364 2.101 -5.711 136 HB3 ARG 17 1HB ARG 17 5.014 3.787 -6.031 137 HG2 ARG 17 2HG ARG 17 7.291 4.056 -6.920 138 HG3 ARG 17 1HG ARG 17 7.579 2.339 -6.639 139 HD2 ARG 17 2HD ARG 17 6.954 2.670 -8.946 140 HD3 ARG 17 1HD ARG 17 5.668 1.820 -8.099 141 HE ARG 17 HE ARG 17 5.138 4.547 -7.980 142 HH11 ARG 17 1HH1 ARG 17 5.195 1.941 -10.395 143 HH12 ARG 17 2HH1 ARG 17 4.083 2.688 -11.437 144 HH21 ARG 17 1HH2 ARG 17 3.562 5.552 -9.406 145 HH22 ARG 17 2HH2 ARG 17 3.119 4.773 -10.855 146 H SER 18 HN SER 18 8.851 3.643 -4.068 147 HA SER 18 HA SER 18 9.541 0.960 -3.704 148 HB2 SER 18 2HB SER 18 11.638 2.100 -2.733 149 HB3 SER 18 1HB SER 18 11.209 2.508 -4.395 150 HG SER 18 HG SER 18 11.557 4.178 -2.432 151 H ASN 19 HN ASN 19 8.750 3.602 -1.563 152 HA ASN 19 HA ASN 19 9.152 2.328 0.948 153 HB2 ASN 19 2HB ASN 19 9.100 4.801 0.623 154 HB3 ASN 19 1HB ASN 19 7.407 4.673 0.171 155 HD21 ASN 19 1HD2 ASN 19 6.854 6.117 1.763 156 HD22 ASN 19 2HD2 ASN 19 6.810 5.679 3.431 157 H CYS 20 HN CYS 20 6.337 3.001 -1.060 158 HA CYS 20 HA CYS 20 4.298 1.859 0.474 159 HB2 CYS 20 2HB CYS 20 3.901 3.273 -1.508 160 HB3 CYS 20 1HB CYS 20 4.607 2.040 -2.534 161 H ALA 21 HN ALA 21 6.145 0.337 -2.195 162 HA ALA 21 HA ALA 21 5.064 -2.226 -1.895 163 HB1 ALA 21 1HB ALA 21 6.904 -2.976 -3.292 164 HB2 ALA 21 2HB ALA 21 7.752 -1.454 -3.017 165 HB3 ALA 21 3HB ALA 21 6.234 -1.466 -3.913 166 H ASN 22 HN ASN 22 7.874 -0.683 -0.413 167 HA ASN 22 HA ASN 22 9.048 -2.954 0.763 168 HB2 ASN 22 2HB ASN 22 10.119 -0.696 0.666 169 HB3 ASN 22 1HB ASN 22 8.994 -0.164 1.904 170 HD21 ASN 22 1HD2 ASN 22 10.482 0.228 3.464 171 HD22 ASN 22 2HD2 ASN 22 11.399 -1.004 4.227 172 H VAL 23 HN VAL 23 6.760 -0.597 2.100 173 HA VAL 23 HA VAL 23 6.489 -1.772 4.608 174 HB VAL 23 HB VAL 23 4.564 -0.004 3.072 175 HG11 VAL 23 1HG1 VAL 23 4.529 -0.797 5.985 176 HG12 VAL 23 2HG1 VAL 23 3.348 -1.288 4.775 177 HG13 VAL 23 3HG1 VAL 23 3.477 0.408 5.246 178 HG21 VAL 23 1HG2 VAL 23 5.458 1.757 4.523 179 HG22 VAL 23 2HG2 VAL 23 6.747 0.980 3.609 180 HG23 VAL 23 3HG2 VAL 23 6.507 0.578 5.306 181 H CYS 24 HN CYS 24 4.518 -2.127 1.696 182 HA CYS 24 HA CYS 24 2.761 -3.985 2.774 183 HB2 CYS 24 2HB CYS 24 3.642 -3.488 -0.057 184 HB3 CYS 24 1HB CYS 24 2.353 -4.616 0.347 185 H ARG 25 HN ARG 25 5.847 -4.484 1.110 186 HA ARG 25 HA ARG 25 5.813 -7.275 1.082 187 HB2 ARG 25 2HB ARG 25 7.411 -5.983 -0.222 188 HB3 ARG 25 1HB ARG 25 8.161 -5.385 1.246 189 HG2 ARG 25 2HG ARG 25 8.885 -7.659 1.803 190 HG3 ARG 25 1HG ARG 25 8.139 -8.253 0.317 191 HD2 ARG 25 2HD ARG 25 10.545 -7.924 0.037 192 HD3 ARG 25 1HD ARG 25 9.623 -6.840 -1.004 193 HE ARG 25 HE ARG 25 10.273 -5.642 1.493 194 HH11 ARG 25 1HH1 ARG 25 11.688 -6.442 -1.652 195 HH12 ARG 25 2HH1 ARG 25 12.794 -5.149 -1.645 196 HH21 ARG 25 1HH2 ARG 25 11.792 -3.847 1.499 197 HH22 ARG 25 2HH2 ARG 25 12.874 -3.666 0.197 198 H THR 26 HN THR 26 7.097 -5.038 3.566 199 HA THR 26 HA THR 26 8.002 -7.182 5.181 200 HB THR 26 HB THR 26 9.055 -4.927 5.355 201 HG1 THR 26 1HG THR 26 8.703 -6.543 7.301 202 HG21 THR 26 1HG2 THR 26 7.061 -3.560 5.169 203 HG22 THR 26 2HG2 THR 26 7.967 -3.139 6.629 204 HG23 THR 26 3HG2 THR 26 6.504 -4.124 6.741 205 H GLU 27 HN GLU 27 4.902 -5.590 4.898 206 HA GLU 27 HA GLU 27 3.951 -6.949 7.242 207 HB2 GLU 27 2HB GLU 27 2.504 -5.320 5.157 208 HB3 GLU 27 1HB GLU 27 1.655 -6.174 6.443 209 HG2 GLU 27 2HG GLU 27 3.078 -4.865 8.064 210 HG3 GLU 27 1HG GLU 27 3.596 -3.898 6.685 211 H GLY 28 HN GLY 28 4.703 -7.993 4.227 212 HA2 GLY 28 2HA GLY 28 4.648 -10.330 3.793 213 HA3 GLY 28 1HA GLY 28 3.176 -10.441 4.739 214 H PHE 29 HN PHE 29 3.083 -7.826 2.626 215 HA PHE 29 HA PHE 29 1.207 -9.275 0.948 216 HB2 PHE 29 2HB PHE 29 1.781 -6.338 1.267 217 HB3 PHE 29 1HB PHE 29 0.606 -6.985 0.123 218 HD1 PHE 29 1HD PHE 29 -1.260 -8.391 1.069 219 HD2 PHE 29 2HD PHE 29 1.179 -5.877 3.458 220 HE1 PHE 29 1HE PHE 29 -2.987 -8.382 2.792 221 HE2 PHE 29 2HE PHE 29 -0.540 -5.853 5.208 222 HZ PHE 29 HZ PHE 29 -2.641 -7.106 4.883 223 HA PRO 30 HA PRO 30 4.048 -9.582 -2.431 224 HB2 PRO 30 2HB PRO 30 2.260 -9.433 -4.531 225 HB3 PRO 30 1HB PRO 30 2.602 -10.895 -3.603 226 HG2 PRO 30 2HG PRO 30 0.325 -8.987 -3.374 227 HG3 PRO 30 1HG PRO 30 0.333 -10.749 -3.194 228 HD2 PRO 30 2HD PRO 30 0.232 -9.063 -1.078 229 HD3 PRO 30 1HD PRO 30 1.037 -10.640 -0.998 230 H GLY 31 HN GLY 31 1.652 -6.946 -2.655 231 HA2 GLY 31 2HA GLY 31 3.757 -5.177 -3.552 232 HA3 GLY 31 1HA GLY 31 2.491 -5.481 -4.735 233 H GLY 32 HN GLY 32 2.577 -2.975 -4.246 234 HA2 GLY 32 2HA GLY 32 0.239 -2.432 -2.680 235 HA3 GLY 32 1HA GLY 32 1.725 -1.678 -2.091 236 H ARG 33 HN ARG 33 -0.507 -0.242 -3.058 237 HA ARG 33 HA ARG 33 0.774 1.253 -5.190 238 HB2 ARG 33 2HB ARG 33 -0.654 -0.540 -6.248 239 HB3 ARG 33 1HB ARG 33 -2.051 0.235 -5.507 240 HG2 ARG 33 2HG ARG 33 -1.901 0.908 -7.803 241 HG3 ARG 33 1HG ARG 33 -1.485 2.289 -6.780 242 HD2 ARG 33 2HD ARG 33 0.886 1.860 -7.130 243 HD3 ARG 33 1HD ARG 33 0.480 0.438 -8.094 244 HE ARG 33 HE ARG 33 -0.597 2.947 -9.001 245 HH11 ARG 33 1HH1 ARG 33 1.995 0.548 -9.277 246 HH12 ARG 33 2HH1 ARG 33 2.521 1.073 -10.805 247 HH21 ARG 33 1HH2 ARG 33 0.145 3.698 -11.109 248 HH22 ARG 33 2HH2 ARG 33 1.447 2.939 -11.869 249 H CYS 34 HN CYS 34 -0.258 3.340 -5.397 250 HA CYS 34 HA CYS 34 -1.375 4.299 -2.930 251 HB2 CYS 34 2HB CYS 34 -0.956 5.723 -5.566 252 HB3 CYS 34 1HB CYS 34 -1.419 6.488 -4.049 253 H ARG 35 HN ARG 35 -3.425 4.380 -2.472 254 HA ARG 35 HA ARG 35 -5.362 4.265 -4.703 255 HB2 ARG 35 2HB ARG 35 -5.093 2.041 -3.585 256 HB3 ARG 35 1HB ARG 35 -5.650 2.773 -2.093 257 HG2 ARG 35 2HG ARG 35 -7.528 1.675 -2.947 258 HG3 ARG 35 1HG ARG 35 -7.780 3.365 -3.378 259 HD2 ARG 35 2HD ARG 35 -6.672 1.232 -5.199 260 HD3 ARG 35 1HD ARG 35 -8.331 1.815 -5.212 261 HE ARG 35 HE ARG 35 -7.124 4.078 -5.683 262 HH11 ARG 35 1HH1 ARG 35 -6.349 0.904 -7.109 263 HH12 ARG 35 2HH1 ARG 35 -5.613 1.571 -8.484 264 HH21 ARG 35 1HH2 ARG 35 -6.116 4.958 -7.651 265 HH22 ARG 35 2HH2 ARG 35 -5.489 3.860 -8.797 266 H GLY 36 HN GLY 36 -4.831 4.946 -1.296 267 HA2 GLY 36 2HA GLY 36 -7.205 6.412 -0.896 268 HA3 GLY 36 1HA GLY 36 -5.762 6.461 0.116 269 H PHE 37 HN PHE 37 -7.662 8.500 -1.151 270 HA PHE 37 HA PHE 37 -6.359 10.057 -3.109 271 HB2 PHE 37 2HB PHE 37 -8.164 11.212 -1.004 272 HB3 PHE 37 1HB PHE 37 -7.985 11.689 -2.688 273 HD1 PHE 37 1HD PHE 37 -8.790 10.031 -4.467 274 HD2 PHE 37 2HD PHE 37 -9.795 9.773 -0.354 275 HE1 PHE 37 1HE PHE 37 -10.717 8.603 -5.030 276 HE2 PHE 37 2HE PHE 37 -11.678 8.376 -0.867 277 HZ PHE 37 HZ PHE 37 -12.179 7.761 -3.232 278 H ARG 38 HN ARG 38 -6.041 9.816 0.271 279 HA ARG 38 HA ARG 38 -4.620 12.291 0.704 280 HB2 ARG 38 2HB ARG 38 -4.976 9.882 2.500 281 HB3 ARG 38 1HB ARG 38 -4.467 11.488 2.998 282 HG2 ARG 38 2HG ARG 38 -6.652 12.399 2.461 283 HG3 ARG 38 1HG ARG 38 -7.177 10.852 1.807 284 HD2 ARG 38 2HD ARG 38 -8.054 11.167 4.042 285 HD3 ARG 38 1HD ARG 38 -6.911 9.827 4.011 286 HE ARG 38 HE ARG 38 -6.058 12.486 4.869 287 HH11 ARG 38 1HH1 ARG 38 -6.525 9.064 5.644 288 HH12 ARG 38 2HH1 ARG 38 -5.873 9.156 7.211 289 HH21 ARG 38 1HH2 ARG 38 -5.173 12.647 7.023 290 HH22 ARG 38 2HH2 ARG 38 -5.063 11.267 8.011 291 H ARG 39 HN ARG 39 -3.734 9.990 -1.100 292 HA ARG 39 HA ARG 39 -1.911 8.951 -1.854 293 HB2 ARG 39 2HB ARG 39 -0.326 10.887 -0.136 294 HB3 ARG 39 1HB ARG 39 0.291 9.955 -1.490 295 HG2 ARG 39 2HG ARG 39 -1.711 12.199 -1.603 296 HG3 ARG 39 1HG ARG 39 -0.042 12.237 -2.169 297 HD2 ARG 39 2HD ARG 39 -0.579 10.536 -3.854 298 HD3 ARG 39 1HD ARG 39 -2.240 10.490 -3.258 299 HE ARG 39 HE ARG 39 -1.290 13.071 -4.084 300 HH11 ARG 39 1HH1 ARG 39 -3.059 10.160 -5.033 301 HH12 ARG 39 2HH1 ARG 39 -3.859 10.895 -6.341 302 HH21 ARG 39 1HH2 ARG 39 -2.369 14.061 -5.895 303 HH22 ARG 39 2HH2 ARG 39 -3.450 13.158 -6.849 304 H ARG 40 HN ARG 40 -2.984 7.400 -0.443 305 HA ARG 40 HA ARG 40 -0.986 6.451 1.444 306 HB2 ARG 40 2HB ARG 40 -3.979 6.243 1.703 307 HB3 ARG 40 1HB ARG 40 -2.876 5.277 2.673 308 HG2 ARG 40 2HG ARG 40 -3.012 8.292 2.616 309 HG3 ARG 40 1HG ARG 40 -3.610 7.246 3.909 310 HD2 ARG 40 2HD ARG 40 -1.364 6.474 4.383 311 HD3 ARG 40 1HD ARG 40 -0.711 7.349 3.014 312 HE ARG 40 HE ARG 40 -1.792 8.560 5.436 313 HH11 ARG 40 1HH1 ARG 40 0.176 8.827 2.487 314 HH12 ARG 40 2HH1 ARG 40 1.129 10.106 3.082 315 HH21 ARG 40 1HH2 ARG 40 -0.473 10.379 6.202 316 HH22 ARG 40 2HH2 ARG 40 0.724 11.016 5.186 317 H CYS 41 HN CYS 41 -0.372 4.490 1.531 318 HA CYS 41 HA CYS 41 -0.470 3.104 -0.960 319 HB2 CYS 41 2HB CYS 41 1.650 3.413 0.222 320 HB3 CYS 41 1HB CYS 41 1.010 2.577 1.627 321 H PHE 42 HN PHE 42 -1.652 1.446 -1.374 322 HA PHE 42 HA PHE 42 -2.898 -0.022 0.807 323 HB2 PHE 42 2HB PHE 42 -3.984 0.662 -1.921 324 HB3 PHE 42 1HB PHE 42 -4.573 -0.683 -0.957 325 HD1 PHE 42 1HD PHE 42 -6.715 -0.166 -0.304 326 HD2 PHE 42 2HD PHE 42 -3.706 2.820 0.048 327 HE1 PHE 42 1HE PHE 42 -8.317 1.304 0.812 328 HE2 PHE 42 2HE PHE 42 -5.313 4.300 1.179 329 HZ PHE 42 HZ PHE 42 -7.614 3.549 1.565 330 H CYS 43 HN CYS 43 -2.138 -1.839 1.014 331 HA CYS 43 HA CYS 43 -0.342 -3.048 -0.772 332 HB2 CYS 43 2HB CYS 43 -1.742 -4.083 1.683 333 HB3 CYS 43 1HB CYS 43 -0.399 -4.880 0.865 334 H THR 44 HN THR 44 -0.722 -4.444 -2.280 335 HA THR 44 HA THR 44 -3.469 -5.090 -2.900 336 HB THR 44 HB THR 44 -0.953 -5.594 -4.505 337 HG1 THR 44 1HG THR 44 -2.057 -3.312 -3.776 338 HG21 THR 44 1HG2 THR 44 -2.972 -6.856 -5.216 339 HG22 THR 44 2HG2 THR 44 -2.526 -5.631 -6.404 340 HG23 THR 44 3HG2 THR 44 -3.873 -5.343 -5.304 341 H THR 45 HN THR 45 -4.156 -6.838 -1.943 342 HA THR 45 HA THR 45 -2.335 -9.089 -1.606 343 HB THR 45 HB THR 45 -3.220 -8.175 0.520 344 HG1 THR 45 1HG THR 45 -4.408 -10.254 1.120 345 HG21 THR 45 1HG2 THR 45 -5.372 -7.291 -0.274 346 HG22 THR 45 2HG2 THR 45 -5.603 -8.385 1.091 347 HG23 THR 45 3HG2 THR 45 -5.943 -8.938 -0.548 348 H HIS 46 HN HIS 46 -3.402 -11.172 -1.833 349 HA HIS 46 HA HIS 46 -5.271 -11.083 -4.082 350 HB2 HIS 46 2HB HIS 46 -3.505 -13.356 -3.145 351 HB3 HIS 46 1HB HIS 46 -4.580 -13.402 -4.535 352 HD1 HIS 46 1HD HIS 46 -1.163 -13.114 -3.846 353 HD2 HIS 46 2HD HIS 46 -3.759 -11.080 -6.369 354 HE1 HIS 46 1HE HIS 46 0.287 -12.082 -5.652 355 H CYS 47 HN CYS 47 -7.277 -11.329 -3.507 356 HA CYS 47 HA CYS 47 -7.978 -12.679 -1.103 357 HB2 CYS 47 2HB CYS 47 -9.625 -11.349 -3.244 358 HB3 CYS 47 1HB CYS 47 -10.348 -12.193 -1.881 Start of MODEL 6 1 H1 ARG 1 1HT ARG 1 -11.671 -9.763 -5.698 2 H2 ARG 1 2HT ARG 1 -12.403 -10.383 -7.055 3 H3 ARG 1 3HT ARG 1 -11.540 -8.933 -7.146 4 HA ARG 1 HA ARG 1 -10.434 -11.601 -6.498 5 HB2 ARG 1 2HB ARG 1 -10.110 -9.917 -9.006 6 HB3 ARG 1 1HB ARG 1 -9.211 -11.385 -8.661 7 HG2 ARG 1 2HG ARG 1 -11.212 -12.699 -8.704 8 HG3 ARG 1 1HG ARG 1 -12.210 -11.262 -8.874 9 HD2 ARG 1 2HD ARG 1 -11.953 -12.422 -10.991 10 HD3 ARG 1 1HD ARG 1 -11.202 -10.828 -11.052 11 HE ARG 1 HE ARG 1 -9.202 -12.539 -10.339 12 HH11 ARG 1 1HH1 ARG 1 -11.468 -12.464 -13.082 13 HH12 ARG 1 2HH1 ARG 1 -10.300 -12.990 -14.202 14 HH21 ARG 1 1HH2 ARG 1 -7.658 -13.282 -11.881 15 HH22 ARG 1 2HH2 ARG 1 -8.114 -13.474 -13.519 16 H THR 2 HN THR 2 -9.298 -8.345 -7.597 17 HA THR 2 HA THR 2 -6.981 -8.680 -5.906 18 HB THR 2 HB THR 2 -6.401 -6.379 -6.848 19 HG1 THR 2 1HG THR 2 -8.712 -6.012 -7.423 20 HG21 THR 2 1HG2 THR 2 -6.895 -8.601 -8.831 21 HG22 THR 2 2HG2 THR 2 -5.472 -8.439 -7.802 22 HG23 THR 2 3HG2 THR 2 -5.789 -7.249 -9.066 23 H CYS 3 HN CYS 3 -6.659 -7.531 -4.016 24 HA CYS 3 HA CYS 3 -8.882 -5.846 -3.160 25 HB2 CYS 3 2HB CYS 3 -7.464 -7.966 -1.522 26 HB3 CYS 3 1HB CYS 3 -8.761 -6.911 -0.963 27 H GLN 4 HN GLN 4 -8.241 -4.126 -1.858 28 HA GLN 4 HA GLN 4 -5.329 -3.716 -1.709 29 HB2 GLN 4 2HB GLN 4 -7.504 -1.618 -1.817 30 HB3 GLN 4 1HB GLN 4 -5.776 -1.325 -1.809 31 HG2 GLN 4 2HG GLN 4 -7.315 -2.699 -3.990 32 HG3 GLN 4 1HG GLN 4 -6.758 -1.033 -4.019 33 HE21 GLN 4 1HE2 GLN 4 -4.120 -1.685 -2.830 34 HE22 GLN 4 2HE2 GLN 4 -3.269 -2.503 -4.085 35 H SER 5 HN SER 5 -4.551 -3.823 0.188 36 HA SER 5 HA SER 5 -6.268 -3.171 2.474 37 HB2 SER 5 2HB SER 5 -3.828 -4.956 2.339 38 HB3 SER 5 1HB SER 5 -4.868 -4.677 3.740 39 HG SER 5 HG SER 5 -5.753 -6.435 2.961 40 H GLN 6 HN GLN 6 -5.645 -1.376 3.567 41 HA GLN 6 HA GLN 6 -3.510 0.122 2.523 42 HB2 GLN 6 2HB GLN 6 -3.972 1.787 4.321 43 HB3 GLN 6 1HB GLN 6 -5.346 1.375 3.317 44 HG2 GLN 6 2HG GLN 6 -6.195 -0.068 5.104 45 HG3 GLN 6 1HG GLN 6 -4.813 0.384 6.110 46 HE21 GLN 6 1HE2 GLN 6 -6.139 1.297 7.672 47 HE22 GLN 6 2HE2 GLN 6 -6.954 2.798 7.416 48 H SER 7 HN SER 7 -1.486 0.353 2.975 49 HA SER 7 HA SER 7 -0.095 -1.379 4.645 50 HB2 SER 7 2HB SER 7 0.815 1.329 3.684 51 HB3 SER 7 1HB SER 7 1.768 -0.152 3.848 52 HG SER 7 HG SER 7 0.862 -0.958 2.030 53 H HIS 8 HN HIS 8 0.019 -1.219 6.889 54 HA HIS 8 HA HIS 8 -1.079 1.238 8.001 55 HB2 HIS 8 2HB HIS 8 -2.027 -1.018 8.657 56 HB3 HIS 8 1HB HIS 8 -0.513 -1.321 9.507 57 HD1 HIS 8 1HD HIS 8 -0.477 -0.539 11.927 58 HD2 HIS 8 2HD HIS 8 -3.394 1.347 9.648 59 HE1 HIS 8 1HE HIS 8 -1.755 0.911 13.527 60 H ARG 9 HN ARG 9 1.793 -0.609 7.790 61 HA ARG 9 HA ARG 9 3.133 0.954 9.842 62 HB2 ARG 9 2HB ARG 9 4.108 -1.213 8.006 63 HB3 ARG 9 1HB ARG 9 5.118 -0.410 9.201 64 HG2 ARG 9 2HG ARG 9 3.626 -1.205 10.941 65 HG3 ARG 9 1HG ARG 9 2.680 -2.096 9.733 66 HD2 ARG 9 2HD ARG 9 4.321 -3.544 10.840 67 HD3 ARG 9 1HD ARG 9 4.670 -3.350 9.119 68 HE ARG 9 HE ARG 9 6.024 -1.658 11.099 69 HH11 ARG 9 1HH1 ARG 9 6.254 -4.178 8.645 70 HH12 ARG 9 2HH1 ARG 9 7.917 -3.968 8.375 71 HH21 ARG 9 1HH2 ARG 9 8.282 -1.372 10.761 72 HH22 ARG 9 2HH2 ARG 9 9.130 -2.336 9.640 73 H PHE 10 HN PHE 10 2.166 1.888 7.065 74 HA PHE 10 HA PHE 10 4.648 2.745 5.833 75 HB2 PHE 10 2HB PHE 10 2.760 1.856 4.484 76 HB3 PHE 10 1HB PHE 10 1.792 3.236 4.984 77 HD1 PHE 10 1HD PHE 10 2.100 5.369 3.976 78 HD2 PHE 10 2HD PHE 10 4.689 2.148 3.018 79 HE1 PHE 10 1HE PHE 10 2.987 6.649 2.092 80 HE2 PHE 10 2HE PHE 10 5.578 3.418 1.142 81 HZ PHE 10 HZ PHE 10 4.733 5.679 0.665 82 H ARG 11 HN ARG 11 5.251 4.825 5.571 83 HA ARG 11 HA ARG 11 3.710 6.944 6.788 84 HB2 ARG 11 2HB ARG 11 5.731 7.861 7.881 85 HB3 ARG 11 1HB ARG 11 5.259 6.312 8.556 86 HG2 ARG 11 2HG ARG 11 6.993 5.215 7.258 87 HG3 ARG 11 1HG ARG 11 7.469 6.763 6.567 88 HD2 ARG 11 2HD ARG 11 8.019 7.590 8.747 89 HD3 ARG 11 1HD ARG 11 7.482 6.078 9.487 90 HE ARG 11 HE ARG 11 9.413 5.461 7.577 91 HH11 ARG 11 1HH1 ARG 11 9.281 7.192 10.647 92 HH12 ARG 11 2HH1 ARG 11 10.874 6.815 11.097 93 HH21 ARG 11 1HH2 ARG 11 11.596 4.981 8.153 94 HH22 ARG 11 2HH2 ARG 11 12.242 5.541 9.634 95 H GLY 12 HN GLY 12 3.912 8.828 5.653 96 HA2 GLY 12 2HA GLY 12 5.090 10.305 4.179 97 HA3 GLY 12 1HA GLY 12 5.927 8.908 3.516 98 HA PRO 13 HA PRO 13 2.308 9.678 0.762 99 HB2 PRO 13 2HB PRO 13 3.577 10.465 -1.459 100 HB3 PRO 13 1HB PRO 13 3.236 11.602 -0.147 101 HG2 PRO 13 2HG PRO 13 5.796 10.294 -0.909 102 HG3 PRO 13 1HG PRO 13 5.512 11.899 -0.221 103 HD2 PRO 13 2HD PRO 13 6.330 9.607 1.196 104 HD3 PRO 13 1HD PRO 13 5.719 11.116 1.900 105 H CYS 14 HN CYS 14 1.563 8.272 -0.873 106 HA CYS 14 HA CYS 14 2.797 5.723 -1.032 107 HB2 CYS 14 2HB CYS 14 0.929 5.234 -2.584 108 HB3 CYS 14 1HB CYS 14 0.408 5.960 -1.064 109 H LEU 15 HN LEU 15 3.489 8.511 -2.661 110 HA LEU 15 HA LEU 15 4.083 7.594 -5.276 111 HB2 LEU 15 2HB LEU 15 5.104 9.959 -3.690 112 HB3 LEU 15 1HB LEU 15 5.609 9.647 -5.330 113 HG LEU 15 HG LEU 15 3.244 9.956 -6.082 114 HD11 LEU 15 1HD1 LEU 15 1.608 10.978 -4.623 115 HD12 LEU 15 2HD1 LEU 15 2.723 10.892 -3.268 116 HD13 LEU 15 3HD1 LEU 15 2.089 9.405 -3.981 117 HD21 LEU 15 1HD2 LEU 15 4.843 11.784 -6.187 118 HD22 LEU 15 2HD2 LEU 15 4.419 12.260 -4.543 119 HD23 LEU 15 3HD2 LEU 15 3.223 12.378 -5.831 120 H ARG 16 HN ARG 16 5.535 7.174 -2.266 121 HA ARG 16 HA ARG 16 8.175 6.568 -3.245 122 HB2 ARG 16 2HB ARG 16 6.881 6.267 -0.532 123 HB3 ARG 16 1HB ARG 16 8.570 5.923 -0.879 124 HG2 ARG 16 2HG ARG 16 7.298 8.616 -1.276 125 HG3 ARG 16 1HG ARG 16 8.138 8.128 0.196 126 HD2 ARG 16 2HD ARG 16 9.371 8.151 -2.561 127 HD3 ARG 16 1HD ARG 16 9.559 9.434 -1.371 128 HE ARG 16 HE ARG 16 10.302 6.804 -0.441 129 HH11 ARG 16 1HH1 ARG 16 11.428 9.736 -2.023 130 HH12 ARG 16 2HH1 ARG 16 13.055 9.557 -1.539 131 HH21 ARG 16 1HH2 ARG 16 12.531 6.507 0.174 132 HH22 ARG 16 2HH2 ARG 16 13.691 7.680 -0.259 133 H ARG 17 HN ARG 17 7.905 4.907 -4.625 134 HA ARG 17 HA ARG 17 6.216 2.666 -4.262 135 HB2 ARG 17 2HB ARG 17 8.656 2.877 -6.032 136 HB3 ARG 17 1HB ARG 17 7.369 1.692 -6.176 137 HG2 ARG 17 2HG ARG 17 5.789 3.550 -6.639 138 HG3 ARG 17 1HG ARG 17 7.159 4.657 -6.627 139 HD2 ARG 17 2HD ARG 17 6.768 2.320 -8.491 140 HD3 ARG 17 1HD ARG 17 6.564 4.018 -8.898 141 HE ARG 17 HE ARG 17 9.172 3.633 -7.932 142 HH11 ARG 17 1HH1 ARG 17 7.185 2.830 -10.743 143 HH12 ARG 17 2HH1 ARG 17 8.514 2.720 -11.816 144 HH21 ARG 17 1HH2 ARG 17 11.009 3.427 -9.429 145 HH22 ARG 17 2HH2 ARG 17 10.683 3.061 -11.056 146 H SER 18 HN SER 18 9.685 3.159 -3.782 147 HA SER 18 HA SER 18 10.386 0.570 -3.047 148 HB2 SER 18 2HB SER 18 11.581 3.169 -2.067 149 HB3 SER 18 1HB SER 18 12.390 1.601 -2.167 150 HG SER 18 HG SER 18 12.128 1.654 -4.380 151 H ASN 19 HN ASN 19 9.143 3.266 -1.174 152 HA ASN 19 HA ASN 19 9.372 2.057 1.385 153 HB2 ASN 19 2HB ASN 19 7.723 4.364 0.360 154 HB3 ASN 19 1HB ASN 19 7.697 3.857 2.038 155 HD21 ASN 19 1HD2 ASN 19 9.355 4.453 3.351 156 HD22 ASN 19 2HD2 ASN 19 10.685 5.424 2.848 157 H CYS 20 HN CYS 20 6.683 2.478 -0.895 158 HA CYS 20 HA CYS 20 4.716 1.154 0.535 159 HB2 CYS 20 2HB CYS 20 5.155 1.600 -2.389 160 HB3 CYS 20 1HB CYS 20 3.845 0.561 -1.855 161 H ALA 21 HN ALA 21 6.945 -0.199 -1.869 162 HA ALA 21 HA ALA 21 5.973 -2.807 -1.640 163 HB1 ALA 21 1HB ALA 21 8.710 -1.886 -2.497 164 HB2 ALA 21 2HB ALA 21 7.304 -2.057 -3.548 165 HB3 ALA 21 3HB ALA 21 8.021 -3.481 -2.793 166 H ASN 22 HN ASN 22 8.662 -1.151 0.005 167 HA ASN 22 HA ASN 22 9.601 -3.377 1.426 168 HB2 ASN 22 2HB ASN 22 10.956 -1.361 1.328 169 HB3 ASN 22 1HB ASN 22 9.721 -0.442 2.179 170 HD21 ASN 22 1HD2 ASN 22 9.683 -0.480 4.381 171 HD22 ASN 22 2HD2 ASN 22 10.769 -1.381 5.364 172 H VAL 23 HN VAL 23 7.237 -0.931 2.453 173 HA VAL 23 HA VAL 23 6.742 -2.123 4.948 174 HB VAL 23 HB VAL 23 5.056 -0.222 3.292 175 HG11 VAL 23 1HG1 VAL 23 4.565 -1.222 6.097 176 HG12 VAL 23 2HG1 VAL 23 3.532 -1.524 4.701 177 HG13 VAL 23 3HG1 VAL 23 3.699 0.113 5.342 178 HG21 VAL 23 1HG2 VAL 23 6.608 0.145 5.842 179 HG22 VAL 23 2HG2 VAL 23 5.755 1.399 4.935 180 HG23 VAL 23 3HG2 VAL 23 7.165 0.604 4.233 181 H CYS 24 HN CYS 24 4.952 -2.370 1.892 182 HA CYS 24 HA CYS 24 3.027 -4.117 2.871 183 HB2 CYS 24 2HB CYS 24 4.074 -3.621 0.108 184 HB3 CYS 24 1HB CYS 24 2.742 -4.725 0.387 185 H ARG 25 HN ARG 25 6.184 -4.805 1.439 186 HA ARG 25 HA ARG 25 5.755 -7.589 1.330 187 HB2 ARG 25 2HB ARG 25 7.364 -6.294 -0.048 188 HB3 ARG 25 1HB ARG 25 8.354 -6.085 1.379 189 HG2 ARG 25 2HG ARG 25 8.966 -8.339 1.418 190 HG3 ARG 25 1HG ARG 25 7.641 -8.802 0.335 191 HD2 ARG 25 2HD ARG 25 9.991 -7.062 -0.388 192 HD3 ARG 25 1HD ARG 25 9.740 -8.739 -0.901 193 HE ARG 25 HE ARG 25 7.515 -7.701 -1.774 194 HH11 ARG 25 1HH1 ARG 25 10.782 -6.440 -2.194 195 HH12 ARG 25 2HH1 ARG 25 10.402 -5.458 -3.520 196 HH21 ARG 25 1HH2 ARG 25 6.952 -6.326 -3.513 197 HH22 ARG 25 2HH2 ARG 25 8.140 -5.384 -4.309 198 H THR 26 HN THR 26 7.100 -5.440 3.780 199 HA THR 26 HA THR 26 7.862 -7.664 5.390 200 HB THR 26 HB THR 26 8.223 -5.931 7.209 201 HG1 THR 26 1HG THR 26 7.848 -4.029 5.147 202 HG21 THR 26 1HG2 THR 26 10.049 -6.637 5.730 203 HG22 THR 26 2HG2 THR 26 10.177 -4.918 6.133 204 HG23 THR 26 3HG2 THR 26 9.557 -5.406 4.560 205 H GLU 27 HN GLU 27 4.939 -5.891 4.905 206 HA GLU 27 HA GLU 27 3.776 -6.974 7.299 207 HB2 GLU 27 2HB GLU 27 2.500 -5.354 5.081 208 HB3 GLU 27 1HB GLU 27 1.612 -5.970 6.465 209 HG2 GLU 27 2HG GLU 27 3.528 -4.636 7.766 210 HG3 GLU 27 1HG GLU 27 3.519 -3.715 6.265 211 H GLY 28 HN GLY 28 4.429 -8.246 4.320 212 HA2 GLY 28 2HA GLY 28 4.060 -10.618 4.038 213 HA3 GLY 28 1HA GLY 28 2.517 -10.437 4.854 214 H PHE 29 HN PHE 29 3.234 -8.033 2.571 215 HA PHE 29 HA PHE 29 1.338 -9.226 0.690 216 HB2 PHE 29 2HB PHE 29 2.024 -6.358 1.304 217 HB3 PHE 29 1HB PHE 29 0.941 -6.853 0.004 218 HD1 PHE 29 1HD PHE 29 -1.064 -8.216 0.660 219 HD2 PHE 29 2HD PHE 29 1.229 -5.999 3.442 220 HE1 PHE 29 1HE PHE 29 -2.949 -8.218 2.177 221 HE2 PHE 29 2HE PHE 29 -0.658 -5.993 5.016 222 HZ PHE 29 HZ PHE 29 -2.770 -7.105 4.395 223 HA PRO 30 HA PRO 30 4.477 -9.013 -2.509 224 HB2 PRO 30 2HB PRO 30 2.600 -7.840 -4.436 225 HB3 PRO 30 1HB PRO 30 3.360 -9.430 -4.457 226 HG2 PRO 30 2HG PRO 30 0.739 -9.115 -3.961 227 HG3 PRO 30 1HG PRO 30 1.690 -10.387 -3.171 228 HD2 PRO 30 2HD PRO 30 0.815 -7.726 -2.102 229 HD3 PRO 30 1HD PRO 30 0.802 -9.306 -1.302 230 H GLY 31 HN GLY 31 2.333 -6.161 -2.976 231 HA2 GLY 31 2HA GLY 31 4.529 -4.362 -2.537 232 HA3 GLY 31 1HA GLY 31 3.966 -4.430 -4.205 233 H GLY 32 HN GLY 32 3.698 -2.046 -3.167 234 HA2 GLY 32 2HA GLY 32 0.852 -1.859 -2.571 235 HA3 GLY 32 1HA GLY 32 2.019 -1.032 -1.529 236 H ARG 33 HN ARG 33 -0.025 0.240 -2.993 237 HA ARG 33 HA ARG 33 1.575 2.061 -4.550 238 HB2 ARG 33 2HB ARG 33 0.921 0.149 -6.093 239 HB3 ARG 33 1HB ARG 33 -0.747 0.640 -5.876 240 HG2 ARG 33 2HG ARG 33 0.181 1.451 -7.973 241 HG3 ARG 33 1HG ARG 33 -0.266 2.788 -6.909 242 HD2 ARG 33 2HD ARG 33 2.056 3.063 -6.238 243 HD3 ARG 33 1HD ARG 33 2.526 1.674 -7.220 244 HE ARG 33 HE ARG 33 1.480 3.141 -9.063 245 HH11 ARG 33 1HH1 ARG 33 3.450 4.380 -6.352 246 HH12 ARG 33 2HH1 ARG 33 4.182 5.586 -7.309 247 HH21 ARG 33 1HH2 ARG 33 2.523 4.811 -10.318 248 HH22 ARG 33 2HH2 ARG 33 3.652 5.842 -9.593 249 H CYS 34 HN CYS 34 0.139 3.943 -5.321 250 HA CYS 34 HA CYS 34 -1.389 5.038 -3.276 251 HB2 CYS 34 2HB CYS 34 -1.264 5.726 -6.210 252 HB3 CYS 34 1HB CYS 34 -2.071 6.709 -4.992 253 H ARG 35 HN ARG 35 -3.345 4.716 -2.690 254 HA ARG 35 HA ARG 35 -5.411 4.104 -4.624 255 HB2 ARG 35 2HB ARG 35 -4.677 1.859 -4.013 256 HB3 ARG 35 1HB ARG 35 -4.823 2.268 -2.308 257 HG2 ARG 35 2HG ARG 35 -6.684 0.885 -3.024 258 HG3 ARG 35 1HG ARG 35 -7.231 2.488 -2.545 259 HD2 ARG 35 2HD ARG 35 -8.411 1.940 -4.499 260 HD3 ARG 35 1HD ARG 35 -7.198 3.115 -4.979 261 HE ARG 35 HE ARG 35 -6.986 0.212 -5.430 262 HH11 ARG 35 1HH1 ARG 35 -6.258 3.525 -6.524 263 HH12 ARG 35 2HH1 ARG 35 -5.659 3.040 -8.037 264 HH21 ARG 35 1HH2 ARG 35 -6.174 -0.432 -7.540 265 HH22 ARG 35 2HH2 ARG 35 -5.630 0.749 -8.636 266 H GLY 36 HN GLY 36 -4.462 4.880 -1.337 267 HA2 GLY 36 2HA GLY 36 -7.009 5.377 -0.312 268 HA3 GLY 36 1HA GLY 36 -5.490 6.020 0.298 269 H PHE 37 HN PHE 37 -8.168 7.176 -0.081 270 HA PHE 37 HA PHE 37 -8.217 9.073 -2.171 271 HB2 PHE 37 2HB PHE 37 -9.475 9.477 0.537 272 HB3 PHE 37 1HB PHE 37 -10.062 10.021 -1.030 273 HD1 PHE 37 1HD PHE 37 -10.068 7.418 1.415 274 HD2 PHE 37 2HD PHE 37 -10.955 8.303 -2.647 275 HE1 PHE 37 1HE PHE 37 -11.409 5.422 1.304 276 HE2 PHE 37 2HE PHE 37 -12.332 6.274 -2.785 277 HZ PHE 37 HZ PHE 37 -12.570 4.817 -0.808 278 H ARG 38 HN ARG 38 -6.759 8.910 0.918 279 HA ARG 38 HA ARG 38 -6.033 11.738 1.050 280 HB2 ARG 38 2HB ARG 38 -5.368 9.456 2.927 281 HB3 ARG 38 1HB ARG 38 -5.208 11.171 3.267 282 HG2 ARG 38 2HG ARG 38 -7.815 9.740 2.760 283 HG3 ARG 38 1HG ARG 38 -7.168 10.118 4.351 284 HD2 ARG 38 2HD ARG 38 -7.295 12.482 3.885 285 HD3 ARG 38 1HD ARG 38 -7.798 12.164 2.224 286 HE ARG 38 HE ARG 38 -9.660 10.885 3.599 287 HH11 ARG 38 1HH1 ARG 38 -8.376 14.127 4.134 288 HH12 ARG 38 2HH1 ARG 38 -9.862 14.806 4.602 289 HH21 ARG 38 1HH2 ARG 38 -11.713 11.794 4.246 290 HH22 ARG 38 2HH2 ARG 38 -11.826 13.426 4.683 291 H ARG 39 HN ARG 39 -4.990 9.635 -0.949 292 HA ARG 39 HA ARG 39 -3.133 8.989 -1.993 293 HB2 ARG 39 2HB ARG 39 -1.998 11.416 -0.591 294 HB3 ARG 39 1HB ARG 39 -1.104 10.497 -1.797 295 HG2 ARG 39 2HG ARG 39 -2.763 11.007 -3.477 296 HG3 ARG 39 1HG ARG 39 -3.756 11.829 -2.273 297 HD2 ARG 39 2HD ARG 39 -0.984 12.661 -3.108 298 HD3 ARG 39 1HD ARG 39 -2.487 13.384 -3.682 299 HE ARG 39 HE ARG 39 -1.936 13.329 -0.821 300 HH11 ARG 39 1HH1 ARG 39 -2.307 15.224 -3.770 301 HH12 ARG 39 2HH1 ARG 39 -2.390 16.719 -2.980 302 HH21 ARG 39 1HH2 ARG 39 -2.054 15.353 0.280 303 HH22 ARG 39 2HH2 ARG 39 -2.235 16.804 -0.581 304 H ARG 40 HN ARG 40 -3.769 7.572 0.055 305 HA ARG 40 HA ARG 40 -1.345 7.043 1.571 306 HB2 ARG 40 2HB ARG 40 -4.166 6.046 1.934 307 HB3 ARG 40 1HB ARG 40 -2.803 5.383 2.817 308 HG2 ARG 40 2HG ARG 40 -2.361 7.647 3.724 309 HG3 ARG 40 1HG ARG 40 -3.827 8.206 2.920 310 HD2 ARG 40 2HD ARG 40 -4.244 7.670 5.281 311 HD3 ARG 40 1HD ARG 40 -5.153 6.608 4.208 312 HE ARG 40 HE ARG 40 -2.729 5.361 4.802 313 HH11 ARG 40 1HH1 ARG 40 -5.700 6.284 6.503 314 HH12 ARG 40 2HH1 ARG 40 -5.600 5.044 7.637 315 HH21 ARG 40 1HH2 ARG 40 -2.570 3.685 6.404 316 HH22 ARG 40 2HH2 ARG 40 -3.773 3.576 7.626 317 H CYS 41 HN CYS 41 -0.541 4.935 1.700 318 HA CYS 41 HA CYS 41 -0.639 3.673 -0.895 319 HB2 CYS 41 2HB CYS 41 1.528 4.221 0.237 320 HB3 CYS 41 1HB CYS 41 1.130 3.027 1.467 321 H PHE 42 HN PHE 42 -1.486 1.732 -1.299 322 HA PHE 42 HA PHE 42 -2.434 0.115 0.946 323 HB2 PHE 42 2HB PHE 42 -3.804 0.694 -1.680 324 HB3 PHE 42 1HB PHE 42 -4.156 -0.734 -0.733 325 HD1 PHE 42 1HD PHE 42 -3.749 2.873 0.207 326 HD2 PHE 42 2HD PHE 42 -6.244 -0.571 0.189 327 HE1 PHE 42 1HE PHE 42 -5.486 4.110 1.433 328 HE2 PHE 42 2HE PHE 42 -7.967 0.655 1.396 329 HZ PHE 42 HZ PHE 42 -7.599 2.999 2.037 330 H CYS 43 HN CYS 43 -1.988 -1.955 0.821 331 HA CYS 43 HA CYS 43 -0.048 -2.821 -1.096 332 HB2 CYS 43 2HB CYS 43 -1.421 -4.280 1.159 333 HB3 CYS 43 1HB CYS 43 0.006 -4.822 0.280 334 H THR 44 HN THR 44 -0.499 -4.015 -2.821 335 HA THR 44 HA THR 44 -3.257 -4.587 -3.437 336 HB THR 44 HB THR 44 -0.789 -5.159 -5.101 337 HG1 THR 44 1HG THR 44 -0.595 -3.065 -5.229 338 HG21 THR 44 1HG2 THR 44 -3.672 -4.597 -5.836 339 HG22 THR 44 2HG2 THR 44 -2.917 -6.188 -5.836 340 HG23 THR 44 3HG2 THR 44 -2.363 -4.945 -6.965 341 H THR 45 HN THR 45 -4.076 -6.468 -2.741 342 HA THR 45 HA THR 45 -2.290 -8.762 -2.632 343 HB THR 45 HB THR 45 -2.714 -7.837 -0.352 344 HG1 THR 45 1HG THR 45 -3.653 -9.903 0.506 345 HG21 THR 45 1HG2 THR 45 -5.586 -8.619 -0.856 346 HG22 THR 45 2HG2 THR 45 -4.988 -6.967 -0.732 347 HG23 THR 45 3HG2 THR 45 -4.935 -8.029 0.674 348 H HIS 46 HN HIS 46 -3.686 -10.820 -2.464 349 HA HIS 46 HA HIS 46 -5.941 -10.546 -4.312 350 HB2 HIS 46 2HB HIS 46 -5.506 -12.867 -5.042 351 HB3 HIS 46 1HB HIS 46 -4.090 -11.862 -5.298 352 HD1 HIS 46 1HD HIS 46 -5.275 -14.896 -3.468 353 HD2 HIS 46 2HD HIS 46 -1.881 -12.511 -3.647 354 HE1 HIS 46 1HE HIS 46 -3.461 -16.167 -2.265 355 H CYS 47 HN CYS 47 -7.855 -11.598 -3.784 356 HA CYS 47 HA CYS 47 -7.905 -12.586 -1.066 357 HB2 CYS 47 2HB CYS 47 -10.085 -11.446 -2.809 358 HB3 CYS 47 1HB CYS 47 -10.424 -12.257 -1.280 Start of MODEL 7 1 H1 ARG 1 1HT ARG 1 -8.081 -12.858 -6.754 2 H2 ARG 1 2HT ARG 1 -9.683 -13.102 -7.179 3 H3 ARG 1 3HT ARG 1 -9.296 -12.578 -5.630 4 HA ARG 1 HA ARG 1 -8.825 -11.107 -8.184 5 HB2 ARG 1 2HB ARG 1 -10.500 -9.511 -7.393 6 HB3 ARG 1 1HB ARG 1 -11.209 -11.115 -7.484 7 HG2 ARG 1 2HG ARG 1 -11.046 -11.370 -5.105 8 HG3 ARG 1 1HG ARG 1 -10.151 -9.863 -4.966 9 HD2 ARG 1 2HD ARG 1 -12.453 -9.523 -4.320 10 HD3 ARG 1 1HD ARG 1 -12.082 -8.634 -5.792 11 HE ARG 1 HE ARG 1 -13.211 -11.198 -6.317 12 HH11 ARG 1 1HH1 ARG 1 -14.035 -7.892 -5.374 13 HH12 ARG 1 2HH1 ARG 1 -15.602 -7.932 -6.040 14 HH21 ARG 1 1HH2 ARG 1 -15.414 -11.245 -7.222 15 HH22 ARG 1 2HH2 ARG 1 -16.385 -9.841 -7.120 16 H THR 2 HN THR 2 -8.223 -8.781 -7.698 17 HA THR 2 HA THR 2 -6.208 -8.750 -5.675 18 HB THR 2 HB THR 2 -5.899 -6.405 -6.733 19 HG1 THR 2 1HG THR 2 -6.857 -6.180 -8.744 20 HG21 THR 2 1HG2 THR 2 -4.391 -8.308 -7.118 21 HG22 THR 2 2HG2 THR 2 -4.641 -7.392 -8.604 22 HG23 THR 2 3HG2 THR 2 -5.484 -8.923 -8.357 23 H CYS 3 HN CYS 3 -6.468 -7.881 -3.768 24 HA CYS 3 HA CYS 3 -8.691 -6.031 -3.314 25 HB2 CYS 3 2HB CYS 3 -7.537 -8.146 -1.484 26 HB3 CYS 3 1HB CYS 3 -8.755 -6.964 -0.993 27 H GLN 4 HN GLN 4 -8.104 -4.178 -2.391 28 HA GLN 4 HA GLN 4 -5.294 -3.966 -1.662 29 HB2 GLN 4 2HB GLN 4 -7.171 -1.836 -2.699 30 HB3 GLN 4 1HB GLN 4 -5.537 -1.510 -2.130 31 HG2 GLN 4 2HG GLN 4 -4.659 -3.001 -3.820 32 HG3 GLN 4 1HG GLN 4 -6.290 -3.306 -4.424 33 HE21 GLN 4 1HE2 GLN 4 -5.919 -2.516 -6.450 34 HE22 GLN 4 2HE2 GLN 4 -5.597 -0.863 -6.804 35 H SER 5 HN SER 5 -4.770 -3.510 0.289 36 HA SER 5 HA SER 5 -6.788 -2.498 2.153 37 HB2 SER 5 2HB SER 5 -6.281 -5.041 2.277 38 HB3 SER 5 1HB SER 5 -4.662 -4.579 2.778 39 HG SER 5 HG SER 5 -7.016 -4.587 4.139 40 H GLN 6 HN GLN 6 -5.800 -0.928 3.563 41 HA GLN 6 HA GLN 6 -3.522 0.351 2.440 42 HB2 GLN 6 2HB GLN 6 -3.597 1.923 4.245 43 HB3 GLN 6 1HB GLN 6 -5.254 1.565 3.775 44 HG2 GLN 6 2HG GLN 6 -5.663 0.329 5.694 45 HG3 GLN 6 1HG GLN 6 -3.948 0.081 6.010 46 HE21 GLN 6 1HE2 GLN 6 -2.737 1.810 6.873 47 HE22 GLN 6 2HE2 GLN 6 -3.515 3.087 7.721 48 H SER 7 HN SER 7 -1.452 0.674 3.360 49 HA SER 7 HA SER 7 -0.436 -1.537 4.860 50 HB2 SER 7 2HB SER 7 0.911 -0.388 3.101 51 HB3 SER 7 1HB SER 7 0.883 1.083 4.073 52 HG SER 7 HG SER 7 1.863 -1.407 4.964 53 H HIS 8 HN HIS 8 0.076 -1.477 7.079 54 HA HIS 8 HA HIS 8 -1.286 0.725 8.432 55 HB2 HIS 8 2HB HIS 8 -2.072 -1.557 8.966 56 HB3 HIS 8 1HB HIS 8 -0.466 -1.965 9.557 57 HD1 HIS 8 1HD HIS 8 -0.182 -1.676 12.041 58 HD2 HIS 8 2HD HIS 8 -3.213 0.696 10.502 59 HE1 HIS 8 1HE HIS 8 -1.240 -0.567 14.022 60 H ARG 9 HN ARG 9 1.775 -0.972 8.353 61 HA ARG 9 HA ARG 9 2.833 0.861 10.369 62 HB2 ARG 9 2HB ARG 9 4.817 -0.502 10.414 63 HB3 ARG 9 1HB ARG 9 3.416 -1.558 10.460 64 HG2 ARG 9 2HG ARG 9 3.705 -1.930 8.027 65 HG3 ARG 9 1HG ARG 9 5.196 -0.992 8.121 66 HD2 ARG 9 2HD ARG 9 5.699 -3.345 8.225 67 HD3 ARG 9 1HD ARG 9 6.059 -2.595 9.789 68 HE ARG 9 HE ARG 9 3.456 -3.546 9.850 69 HH11 ARG 9 1HH1 ARG 9 6.744 -4.850 9.705 70 HH12 ARG 9 2HH1 ARG 9 6.299 -6.357 10.360 71 HH21 ARG 9 1HH2 ARG 9 2.866 -5.631 10.706 72 HH22 ARG 9 2HH2 ARG 9 4.059 -6.824 10.920 73 H PHE 10 HN PHE 10 2.108 1.523 7.490 74 HA PHE 10 HA PHE 10 4.615 2.322 6.339 75 HB2 PHE 10 2HB PHE 10 2.691 1.608 4.933 76 HB3 PHE 10 1HB PHE 10 1.815 3.047 5.448 77 HD1 PHE 10 1HD PHE 10 2.106 5.071 4.281 78 HD2 PHE 10 2HD PHE 10 4.878 1.913 3.728 79 HE1 PHE 10 1HE PHE 10 3.176 6.324 2.463 80 HE2 PHE 10 2HE PHE 10 5.955 3.158 1.911 81 HZ PHE 10 HZ PHE 10 5.097 5.374 1.272 82 H ARG 11 HN ARG 11 5.232 4.379 5.924 83 HA ARG 11 HA ARG 11 4.024 6.495 7.430 84 HB2 ARG 11 2HB ARG 11 6.376 7.123 8.198 85 HB3 ARG 11 1HB ARG 11 5.579 5.789 9.022 86 HG2 ARG 11 2HG ARG 11 6.840 4.255 7.454 87 HG3 ARG 11 1HG ARG 11 7.786 5.673 6.995 88 HD2 ARG 11 2HD ARG 11 7.378 4.766 9.792 89 HD3 ARG 11 1HD ARG 11 8.764 4.243 8.821 90 HE ARG 11 HE ARG 11 8.974 6.866 8.647 91 HH11 ARG 11 1HH1 ARG 11 8.322 4.902 11.535 92 HH12 ARG 11 2HH1 ARG 11 9.097 5.979 12.594 93 HH21 ARG 11 1HH2 ARG 11 10.061 8.307 10.103 94 HH22 ARG 11 2HH2 ARG 11 10.122 7.938 11.766 95 H GLY 12 HN GLY 12 4.004 8.290 6.234 96 HA2 GLY 12 2HA GLY 12 5.039 9.883 4.811 97 HA3 GLY 12 1HA GLY 12 5.911 8.569 4.033 98 HA PRO 13 HA PRO 13 2.193 9.228 1.426 99 HB2 PRO 13 2HB PRO 13 3.363 10.226 -0.771 100 HB3 PRO 13 1HB PRO 13 2.951 11.259 0.602 101 HG2 PRO 13 2HG PRO 13 5.600 10.254 -0.282 102 HG3 PRO 13 1HG PRO 13 5.194 11.747 0.576 103 HD2 PRO 13 2HD PRO 13 6.202 9.340 1.710 104 HD3 PRO 13 1HD PRO 13 5.607 10.762 2.583 105 H CYS 14 HN CYS 14 1.497 7.790 -0.196 106 HA CYS 14 HA CYS 14 2.945 5.387 -0.518 107 HB2 CYS 14 2HB CYS 14 1.132 4.748 -2.029 108 HB3 CYS 14 1HB CYS 14 0.507 5.491 -0.557 109 H LEU 15 HN LEU 15 3.079 8.319 -2.144 110 HA LEU 15 HA LEU 15 3.633 7.607 -4.789 111 HB2 LEU 15 2HB LEU 15 4.528 10.024 -3.220 112 HB3 LEU 15 1HB LEU 15 4.878 9.817 -4.918 113 HG LEU 15 HG LEU 15 3.053 11.319 -4.727 114 HD11 LEU 15 1HD1 LEU 15 1.296 10.228 -5.981 115 HD12 LEU 15 2HD1 LEU 15 1.979 8.655 -5.589 116 HD13 LEU 15 3HD1 LEU 15 2.898 9.794 -6.576 117 HD21 LEU 15 1HD2 LEU 15 2.256 10.786 -2.494 118 HD22 LEU 15 2HD2 LEU 15 1.623 9.243 -3.066 119 HD23 LEU 15 3HD2 LEU 15 0.920 10.753 -3.644 120 H ARG 16 HN ARG 16 5.558 7.359 -1.989 121 HA ARG 16 HA ARG 16 7.989 6.928 -3.472 122 HB2 ARG 16 2HB ARG 16 7.711 7.812 -1.017 123 HB3 ARG 16 1HB ARG 16 7.470 6.120 -0.608 124 HG2 ARG 16 2HG ARG 16 9.742 6.668 -0.190 125 HG3 ARG 16 1HG ARG 16 9.691 5.639 -1.623 126 HD2 ARG 16 2HD ARG 16 11.227 7.498 -1.947 127 HD3 ARG 16 1HD ARG 16 9.860 7.638 -3.051 128 HE ARG 16 HE ARG 16 9.556 9.033 -0.557 129 HH11 ARG 16 1HH1 ARG 16 10.646 9.316 -3.898 130 HH12 ARG 16 2HH1 ARG 16 10.604 11.017 -3.922 131 HH21 ARG 16 1HH2 ARG 16 9.467 11.358 -0.576 132 HH22 ARG 16 2HH2 ARG 16 9.962 12.210 -1.969 133 H ARG 17 HN ARG 17 7.012 5.387 -4.862 134 HA ARG 17 HA ARG 17 5.375 3.265 -4.176 135 HB2 ARG 17 2HB ARG 17 7.111 3.596 -6.597 136 HB3 ARG 17 1HB ARG 17 5.928 2.313 -6.406 137 HG2 ARG 17 2HG ARG 17 4.129 3.890 -6.304 138 HG3 ARG 17 1HG ARG 17 5.262 5.244 -6.288 139 HD2 ARG 17 2HD ARG 17 4.316 4.950 -8.517 140 HD3 ARG 17 1HD ARG 17 6.042 4.623 -8.499 141 HE ARG 17 HE ARG 17 4.491 2.251 -8.178 142 HH11 ARG 17 1HH1 ARG 17 5.811 4.490 -10.606 143 HH12 ARG 17 2HH1 ARG 17 5.756 3.356 -11.868 144 HH21 ARG 17 1HH2 ARG 17 4.459 0.713 -9.897 145 HH22 ARG 17 2HH2 ARG 17 4.971 1.114 -11.465 146 H SER 18 HN SER 18 8.906 3.085 -4.696 147 HA SER 18 HA SER 18 8.996 0.307 -4.335 148 HB2 SER 18 2HB SER 18 10.869 1.638 -5.345 149 HB3 SER 18 1HB SER 18 11.215 2.288 -3.744 150 HG SER 18 HG SER 18 11.071 -0.454 -3.885 151 H ASN 19 HN ASN 19 9.018 2.967 -2.064 152 HA ASN 19 HA ASN 19 9.651 1.289 0.162 153 HB2 ASN 19 2HB ASN 19 8.751 4.158 -0.010 154 HB3 ASN 19 1HB ASN 19 8.960 3.330 1.532 155 HD21 ASN 19 1HD2 ASN 19 10.987 2.892 2.260 156 HD22 ASN 19 2HD2 ASN 19 12.423 3.486 1.524 157 H CYS 20 HN CYS 20 6.741 2.600 -1.246 158 HA CYS 20 HA CYS 20 4.884 1.735 0.673 159 HB2 CYS 20 2HB CYS 20 4.343 3.285 -1.195 160 HB3 CYS 20 1HB CYS 20 4.594 1.989 -2.346 161 H ALA 21 HN ALA 21 6.211 0.107 -2.198 162 HA ALA 21 HA ALA 21 4.871 -2.354 -1.826 163 HB1 ALA 21 1HB ALA 21 7.497 -1.827 -3.220 164 HB2 ALA 21 2HB ALA 21 5.904 -1.672 -3.955 165 HB3 ALA 21 3HB ALA 21 6.477 -3.254 -3.421 166 H ASN 22 HN ASN 22 8.045 -1.170 -0.852 167 HA ASN 22 HA ASN 22 9.082 -3.438 0.355 168 HB2 ASN 22 2HB ASN 22 10.499 -1.512 0.001 169 HB3 ASN 22 1HB ASN 22 9.465 -0.527 1.021 170 HD21 ASN 22 1HD2 ASN 22 11.827 -3.101 1.015 171 HD22 ASN 22 2HD2 ASN 22 12.280 -2.926 2.672 172 H VAL 23 HN VAL 23 7.181 -0.845 1.877 173 HA VAL 23 HA VAL 23 7.224 -2.078 4.397 174 HB VAL 23 HB VAL 23 5.316 0.011 3.324 175 HG11 VAL 23 1HG1 VAL 23 4.333 -1.200 5.221 176 HG12 VAL 23 2HG1 VAL 23 4.777 0.440 5.695 177 HG13 VAL 23 3HG1 VAL 23 5.802 -0.923 6.153 178 HG21 VAL 23 1HG2 VAL 23 6.706 1.555 4.674 179 HG22 VAL 23 2HG2 VAL 23 7.619 0.757 3.396 180 HG23 VAL 23 3HG2 VAL 23 7.776 0.207 5.063 181 H CYS 24 HN CYS 24 4.723 -2.083 1.855 182 HA CYS 24 HA CYS 24 2.953 -3.766 3.169 183 HB2 CYS 24 2HB CYS 24 3.556 -3.415 0.239 184 HB3 CYS 24 1HB CYS 24 2.266 -4.465 0.797 185 H ARG 25 HN ARG 25 5.844 -4.548 1.317 186 HA ARG 25 HA ARG 25 5.434 -7.337 1.402 187 HB2 ARG 25 2HB ARG 25 6.840 -6.185 -0.275 188 HB3 ARG 25 1HB ARG 25 7.996 -5.800 0.987 189 HG2 ARG 25 2HG ARG 25 8.576 -8.094 1.256 190 HG3 ARG 25 1HG ARG 25 7.244 -8.606 0.215 191 HD2 ARG 25 2HD ARG 25 9.584 -6.916 -0.642 192 HD3 ARG 25 1HD ARG 25 9.392 -8.642 -0.964 193 HE ARG 25 HE ARG 25 7.224 -7.878 -2.086 194 HH11 ARG 25 1HH1 ARG 25 10.214 -5.988 -2.146 195 HH12 ARG 25 2HH1 ARG 25 9.892 -5.275 -3.650 196 HH21 ARG 25 1HH2 ARG 25 6.756 -6.859 -4.086 197 HH22 ARG 25 2HH2 ARG 25 7.871 -5.775 -4.794 198 H THR 26 HN THR 26 7.067 -5.071 3.548 199 HA THR 26 HA THR 26 8.089 -7.140 5.188 200 HB THR 26 HB THR 26 8.476 -5.376 6.936 201 HG1 THR 26 1HG THR 26 6.726 -3.946 5.404 202 HG21 THR 26 1HG2 THR 26 9.430 -4.652 4.167 203 HG22 THR 26 2HG2 THR 26 10.165 -5.850 5.226 204 HG23 THR 26 3HG2 THR 26 10.181 -4.145 5.680 205 H GLU 27 HN GLU 27 4.985 -5.558 5.046 206 HA GLU 27 HA GLU 27 4.114 -6.620 7.573 207 HB2 GLU 27 2HB GLU 27 2.436 -5.554 5.286 208 HB3 GLU 27 1HB GLU 27 1.876 -5.859 6.928 209 HG2 GLU 27 2HG GLU 27 3.502 -4.166 7.711 210 HG3 GLU 27 1HG GLU 27 3.849 -3.795 6.026 211 H GLY 28 HN GLY 28 4.378 -7.759 4.396 212 HA2 GLY 28 2HA GLY 28 4.428 -10.199 4.157 213 HA3 GLY 28 1HA GLY 28 3.032 -10.255 5.222 214 H PHE 29 HN PHE 29 3.361 -7.923 2.639 215 HA PHE 29 HA PHE 29 1.337 -9.378 1.121 216 HB2 PHE 29 2HB PHE 29 1.694 -6.401 1.517 217 HB3 PHE 29 1HB PHE 29 0.589 -7.099 0.335 218 HD1 PHE 29 1HD PHE 29 -1.170 -8.705 1.206 219 HD2 PHE 29 2HD PHE 29 0.999 -6.046 3.706 220 HE1 PHE 29 1HE PHE 29 -2.905 -8.912 2.913 221 HE2 PHE 29 2HE PHE 29 -0.729 -6.253 5.428 222 HZ PHE 29 HZ PHE 29 -2.690 -7.687 5.036 223 HA PRO 30 HA PRO 30 4.041 -9.305 -2.372 224 HB2 PRO 30 2HB PRO 30 1.955 -8.152 -4.115 225 HB3 PRO 30 1HB PRO 30 2.774 -9.711 -4.233 226 HG2 PRO 30 2HG PRO 30 0.220 -9.518 -3.456 227 HG3 PRO 30 1HG PRO 30 1.311 -10.739 -2.766 228 HD2 PRO 30 2HD PRO 30 0.380 -8.139 -1.622 229 HD3 PRO 30 1HD PRO 30 0.605 -9.707 -0.818 230 H GLY 31 HN GLY 31 1.969 -6.364 -2.668 231 HA2 GLY 31 2HA GLY 31 4.270 -4.670 -2.500 232 HA3 GLY 31 1HA GLY 31 3.587 -4.772 -4.119 233 H GLY 32 HN GLY 32 3.459 -2.351 -3.330 234 HA2 GLY 32 2HA GLY 32 0.722 -1.978 -2.391 235 HA3 GLY 32 1HA GLY 32 2.038 -1.070 -1.649 236 H ARG 33 HN ARG 33 -0.089 0.166 -2.900 237 HA ARG 33 HA ARG 33 1.302 1.726 -4.868 238 HB2 ARG 33 2HB ARG 33 -0.462 1.473 -6.597 239 HB3 ARG 33 1HB ARG 33 0.454 0.002 -6.322 240 HG2 ARG 33 2HG ARG 33 -1.387 -0.876 -4.957 241 HG3 ARG 33 1HG ARG 33 -2.307 0.598 -5.272 242 HD2 ARG 33 2HD ARG 33 -3.002 -1.182 -6.779 243 HD3 ARG 33 1HD ARG 33 -2.224 0.132 -7.660 244 HE ARG 33 HE ARG 33 -0.722 -2.272 -6.906 245 HH11 ARG 33 1HH1 ARG 33 -1.887 -0.063 -9.444 246 HH12 ARG 33 2HH1 ARG 33 -1.011 -0.793 -10.692 247 HH21 ARG 33 1HH2 ARG 33 0.473 -3.283 -8.628 248 HH22 ARG 33 2HH2 ARG 33 0.368 -2.703 -10.218 249 H CYS 34 HN CYS 34 -0.388 3.437 -5.765 250 HA CYS 34 HA CYS 34 -1.593 4.674 -3.412 251 HB2 CYS 34 2HB CYS 34 -0.813 5.690 -6.131 252 HB3 CYS 34 1HB CYS 34 -1.666 6.673 -4.961 253 H ARG 35 HN ARG 35 -3.768 4.982 -3.230 254 HA ARG 35 HA ARG 35 -5.381 5.295 -5.631 255 HB2 ARG 35 2HB ARG 35 -6.962 3.549 -5.301 256 HB3 ARG 35 1HB ARG 35 -5.383 2.802 -5.073 257 HG2 ARG 35 2HG ARG 35 -5.632 2.739 -2.733 258 HG3 ARG 35 1HG ARG 35 -7.069 3.758 -2.794 259 HD2 ARG 35 2HD ARG 35 -6.823 0.976 -3.924 260 HD3 ARG 35 1HD ARG 35 -7.627 1.409 -2.417 261 HE ARG 35 HE ARG 35 -8.744 2.908 -4.510 262 HH11 ARG 35 1HH1 ARG 35 -8.696 -0.380 -3.250 263 HH12 ARG 35 2HH1 ARG 35 -10.126 -0.871 -4.029 264 HH21 ARG 35 1HH2 ARG 35 -10.753 2.303 -5.492 265 HH22 ARG 35 2HH2 ARG 35 -11.367 0.718 -5.304 266 H GLY 36 HN GLY 36 -4.601 6.474 -2.765 267 HA2 GLY 36 2HA GLY 36 -7.371 6.934 -1.908 268 HA3 GLY 36 1HA GLY 36 -6.015 6.820 -0.795 269 H PHE 37 HN PHE 37 -8.011 8.929 -1.388 270 HA PHE 37 HA PHE 37 -6.901 11.160 -2.624 271 HB2 PHE 37 2HB PHE 37 -9.252 11.009 -1.876 272 HB3 PHE 37 1HB PHE 37 -8.725 11.036 -0.203 273 HD1 PHE 37 1HD PHE 37 -8.908 13.033 -3.305 274 HD2 PHE 37 2HD PHE 37 -8.351 13.093 0.912 275 HE1 PHE 37 1HE PHE 37 -9.116 15.472 -3.318 276 HE2 PHE 37 2HE PHE 37 -8.556 15.546 0.907 277 HZ PHE 37 HZ PHE 37 -8.942 16.741 -1.207 278 H ARG 38 HN ARG 38 -6.457 9.862 0.567 279 HA ARG 38 HA ARG 38 -4.812 12.040 1.512 280 HB2 ARG 38 2HB ARG 38 -5.582 9.393 2.728 281 HB3 ARG 38 1HB ARG 38 -4.533 10.554 3.525 282 HG2 ARG 38 2HG ARG 38 -7.379 11.080 2.682 283 HG3 ARG 38 1HG ARG 38 -6.860 10.651 4.314 284 HD2 ARG 38 2HD ARG 38 -6.048 13.104 2.759 285 HD3 ARG 38 1HD ARG 38 -7.152 13.048 4.124 286 HE ARG 38 HE ARG 38 -5.091 12.053 5.313 287 HH11 ARG 38 1HH1 ARG 38 -5.054 14.702 2.967 288 HH12 ARG 38 2HH1 ARG 38 -3.643 15.405 3.575 289 HH21 ARG 38 1HH2 ARG 38 -3.145 13.043 6.164 290 HH22 ARG 38 2HH2 ARG 38 -2.525 14.436 5.419 291 H ARG 39 HN ARG 39 -4.035 9.971 -0.772 292 HA ARG 39 HA ARG 39 -2.113 9.081 -1.616 293 HB2 ARG 39 2HB ARG 39 -0.835 10.849 0.493 294 HB3 ARG 39 1HB ARG 39 0.048 10.049 -0.798 295 HG2 ARG 39 2HG ARG 39 -1.120 11.355 -2.457 296 HG3 ARG 39 1HG ARG 39 -2.130 12.091 -1.208 297 HD2 ARG 39 2HD ARG 39 0.873 12.334 -1.372 298 HD3 ARG 39 1HD ARG 39 -0.268 13.547 -1.947 299 HE ARG 39 HE ARG 39 -1.087 13.394 0.486 300 HH11 ARG 39 1HH1 ARG 39 2.315 13.386 -0.588 301 HH12 ARG 39 2HH1 ARG 39 2.880 14.121 0.840 302 HH21 ARG 39 1HH2 ARG 39 -0.227 14.444 2.432 303 HH22 ARG 39 2HH2 ARG 39 1.446 14.727 2.554 304 H ARG 40 HN ARG 40 -3.372 7.410 -0.102 305 HA ARG 40 HA ARG 40 -1.762 6.431 2.111 306 HB2 ARG 40 2HB ARG 40 -4.439 5.556 1.054 307 HB3 ARG 40 1HB ARG 40 -3.673 4.912 2.502 308 HG2 ARG 40 2HG ARG 40 -3.857 7.019 3.610 309 HG3 ARG 40 1HG ARG 40 -4.374 7.806 2.119 310 HD2 ARG 40 2HD ARG 40 -6.294 7.444 3.532 311 HD3 ARG 40 1HD ARG 40 -6.399 6.405 2.117 312 HE ARG 40 HE ARG 40 -5.280 5.239 4.524 313 HH11 ARG 40 1HH1 ARG 40 -8.094 5.590 2.408 314 HH12 ARG 40 2HH1 ARG 40 -8.989 4.363 3.160 315 HH21 ARG 40 1HH2 ARG 40 -6.537 3.472 5.518 316 HH22 ARG 40 2HH2 ARG 40 -8.073 3.114 4.884 317 H CYS 41 HN CYS 41 -0.498 4.704 1.983 318 HA CYS 41 HA CYS 41 -0.033 3.348 -0.488 319 HB2 CYS 41 2HB CYS 41 1.781 3.771 1.122 320 HB3 CYS 41 1HB CYS 41 0.960 2.792 2.322 321 H PHE 42 HN PHE 42 -1.253 1.787 -1.253 322 HA PHE 42 HA PHE 42 -2.727 0.110 0.624 323 HB2 PHE 42 2HB PHE 42 -3.388 1.078 -2.103 324 HB3 PHE 42 1HB PHE 42 -4.074 -0.428 -1.511 325 HD1 PHE 42 1HD PHE 42 -4.029 3.202 -1.111 326 HD2 PHE 42 2HD PHE 42 -5.625 -0.466 0.254 327 HE1 PHE 42 1HE PHE 42 -5.788 4.432 0.128 328 HE2 PHE 42 2HE PHE 42 -7.369 0.738 1.510 329 HZ PHE 42 HZ PHE 42 -7.452 3.195 1.436 330 H CYS 43 HN CYS 43 -2.091 -1.753 0.863 331 HA CYS 43 HA CYS 43 -0.144 -3.016 -0.806 332 HB2 CYS 43 2HB CYS 43 -1.721 -4.103 1.531 333 HB3 CYS 43 1HB CYS 43 -0.231 -4.764 0.864 334 H THR 44 HN THR 44 -0.662 -4.218 -2.490 335 HA THR 44 HA THR 44 -3.452 -4.867 -2.935 336 HB THR 44 HB THR 44 -1.094 -5.308 -4.777 337 HG1 THR 44 1HG THR 44 -1.970 -3.031 -3.893 338 HG21 THR 44 1HG2 THR 44 -3.156 -6.539 -5.361 339 HG22 THR 44 2HG2 THR 44 -2.827 -5.263 -6.535 340 HG23 THR 44 3HG2 THR 44 -4.069 -5.030 -5.306 341 H THR 45 HN THR 45 -4.079 -6.671 -1.992 342 HA THR 45 HA THR 45 -2.248 -8.939 -1.927 343 HB THR 45 HB THR 45 -2.897 -8.094 0.321 344 HG1 THR 45 1HG THR 45 -4.288 -10.340 0.606 345 HG21 THR 45 1HG2 THR 45 -5.210 -8.326 1.131 346 HG22 THR 45 2HG2 THR 45 -5.720 -8.816 -0.485 347 HG23 THR 45 3HG2 THR 45 -5.115 -7.184 -0.212 348 H HIS 46 HN HIS 46 -3.591 -11.051 -1.928 349 HA HIS 46 HA HIS 46 -5.486 -10.767 -4.138 350 HB2 HIS 46 2HB HIS 46 -3.666 -13.095 -3.471 351 HB3 HIS 46 1HB HIS 46 -4.826 -13.062 -4.791 352 HD1 HIS 46 1HD HIS 46 -4.102 -11.844 -6.950 353 HD2 HIS 46 2HD HIS 46 -1.379 -11.497 -3.830 354 HE1 HIS 46 1HE HIS 46 -2.012 -10.854 -7.963 355 H CYS 47 HN CYS 47 -7.499 -11.166 -3.599 356 HA CYS 47 HA CYS 47 -8.029 -12.867 -1.343 357 HB2 CYS 47 2HB CYS 47 -9.955 -11.289 -3.073 358 HB3 CYS 47 1HB CYS 47 -10.420 -12.237 -1.669 Start of MODEL 8 1 H1 ARG 1 1HT ARG 1 -8.634 -12.921 -7.480 2 H2 ARG 1 2HT ARG 1 -10.297 -12.831 -7.770 3 H3 ARG 1 3HT ARG 1 -9.678 -12.578 -6.218 4 HA ARG 1 HA ARG 1 -8.994 -10.915 -8.577 5 HB2 ARG 1 2HB ARG 1 -10.446 -9.165 -7.642 6 HB3 ARG 1 1HB ARG 1 -11.382 -10.605 -8.009 7 HG2 ARG 1 2HG ARG 1 -11.427 -11.203 -5.652 8 HG3 ARG 1 1HG ARG 1 -10.378 -9.840 -5.281 9 HD2 ARG 1 2HD ARG 1 -12.074 -8.282 -6.000 10 HD3 ARG 1 1HD ARG 1 -13.116 -9.614 -6.502 11 HE ARG 1 HE ARG 1 -13.286 -10.266 -4.208 12 HH11 ARG 1 1HH1 ARG 1 -12.114 -6.923 -4.742 13 HH12 ARG 1 2HH1 ARG 1 -12.512 -6.414 -3.187 14 HH21 ARG 1 1HH2 ARG 1 -13.858 -9.505 -2.107 15 HH22 ARG 1 2HH2 ARG 1 -13.546 -7.886 -1.651 16 H THR 2 HN THR 2 -8.152 -8.709 -7.690 17 HA THR 2 HA THR 2 -6.429 -9.306 -5.438 18 HB THR 2 HB THR 2 -5.334 -7.098 -6.149 19 HG1 THR 2 1HG THR 2 -6.975 -6.264 -7.442 20 HG21 THR 2 1HG2 THR 2 -4.111 -8.162 -8.004 21 HG22 THR 2 2HG2 THR 2 -5.356 -9.407 -8.104 22 HG23 THR 2 3HG2 THR 2 -4.348 -9.281 -6.663 23 H CYS 3 HN CYS 3 -6.335 -7.918 -3.625 24 HA CYS 3 HA CYS 3 -8.607 -6.102 -3.333 25 HB2 CYS 3 2HB CYS 3 -7.564 -8.214 -1.444 26 HB3 CYS 3 1HB CYS 3 -8.628 -6.898 -0.892 27 H GLN 4 HN GLN 4 -8.164 -4.329 -1.999 28 HA GLN 4 HA GLN 4 -5.320 -3.957 -1.469 29 HB2 GLN 4 2HB GLN 4 -7.401 -1.983 -2.318 30 HB3 GLN 4 1HB GLN 4 -5.892 -1.462 -1.605 31 HG2 GLN 4 2HG GLN 4 -4.701 -2.692 -3.403 32 HG3 GLN 4 1HG GLN 4 -6.267 -3.027 -4.142 33 HE21 GLN 4 1HE2 GLN 4 -4.003 -1.535 -5.158 34 HE22 GLN 4 2HE2 GLN 4 -4.604 0.037 -5.531 35 H SER 5 HN SER 5 -4.740 -3.909 0.455 36 HA SER 5 HA SER 5 -6.613 -3.059 2.512 37 HB2 SER 5 2HB SER 5 -4.477 -5.205 2.654 38 HB3 SER 5 1HB SER 5 -5.510 -4.702 3.994 39 HG SER 5 HG SER 5 -7.263 -5.174 2.420 40 H GLN 6 HN GLN 6 -5.906 -1.415 3.690 41 HA GLN 6 HA GLN 6 -3.712 0.115 2.880 42 HB2 GLN 6 2HB GLN 6 -5.733 1.012 3.910 43 HB3 GLN 6 1HB GLN 6 -5.291 0.263 5.434 44 HG2 GLN 6 2HG GLN 6 -3.332 1.677 5.587 45 HG3 GLN 6 1HG GLN 6 -3.703 2.387 4.015 46 HE21 GLN 6 1HE2 GLN 6 -4.615 2.201 7.346 47 HE22 GLN 6 2HE2 GLN 6 -5.677 3.557 7.326 48 H SER 7 HN SER 7 -1.672 0.343 3.579 49 HA SER 7 HA SER 7 -0.529 -1.694 5.153 50 HB2 SER 7 2HB SER 7 0.687 -0.505 3.326 51 HB3 SER 7 1HB SER 7 0.680 0.955 4.318 52 HG SER 7 HG SER 7 1.708 -1.526 5.152 53 H HIS 8 HN HIS 8 -0.054 -1.709 7.249 54 HA HIS 8 HA HIS 8 -1.501 0.231 8.857 55 HB2 HIS 8 2HB HIS 8 -1.685 -2.266 9.190 56 HB3 HIS 8 1HB HIS 8 -0.022 -2.247 9.740 57 HD1 HIS 8 1HD HIS 8 0.349 -1.745 12.227 58 HD2 HIS 8 2HD HIS 8 -3.485 -0.819 10.902 59 HE1 HIS 8 1HE HIS 8 -0.997 -1.215 14.289 60 H ARG 9 HN ARG 9 1.739 -0.800 8.203 61 HA ARG 9 HA ARG 9 2.744 1.012 10.295 62 HB2 ARG 9 2HB ARG 9 4.715 -0.358 10.415 63 HB3 ARG 9 1HB ARG 9 3.289 -1.374 10.543 64 HG2 ARG 9 2HG ARG 9 3.614 -1.783 8.031 65 HG3 ARG 9 1HG ARG 9 5.234 -1.131 8.291 66 HD2 ARG 9 2HD ARG 9 5.350 -3.510 8.492 67 HD3 ARG 9 1HD ARG 9 5.523 -2.826 10.118 68 HE ARG 9 HE ARG 9 2.838 -3.501 9.339 69 HH11 ARG 9 1HH1 ARG 9 5.784 -4.700 10.910 70 HH12 ARG 9 2HH1 ARG 9 5.007 -5.975 11.729 71 HH21 ARG 9 1HH2 ARG 9 1.769 -5.301 10.457 72 HH22 ARG 9 2HH2 ARG 9 2.674 -6.323 11.463 73 H PHE 10 HN PHE 10 2.051 1.538 7.353 74 HA PHE 10 HA PHE 10 4.548 2.223 6.118 75 HB2 PHE 10 2HB PHE 10 2.583 1.709 4.754 76 HB3 PHE 10 1HB PHE 10 1.728 3.093 5.431 77 HD1 PHE 10 1HD PHE 10 1.974 5.214 4.481 78 HD2 PHE 10 2HD PHE 10 4.665 2.118 3.383 79 HE1 PHE 10 1HE PHE 10 2.900 6.641 2.718 80 HE2 PHE 10 2HE PHE 10 5.589 3.530 1.637 81 HZ PHE 10 HZ PHE 10 4.714 5.802 1.290 82 H ARG 11 HN ARG 11 5.470 4.215 5.795 83 HA ARG 11 HA ARG 11 4.455 6.419 7.393 84 HB2 ARG 11 2HB ARG 11 6.683 6.906 8.233 85 HB3 ARG 11 1HB ARG 11 6.181 5.301 8.748 86 HG2 ARG 11 2HG ARG 11 7.588 4.261 7.145 87 HG3 ARG 11 1HG ARG 11 7.930 5.802 6.362 88 HD2 ARG 11 2HD ARG 11 8.979 6.569 8.434 89 HD3 ARG 11 1HD ARG 11 8.731 4.964 9.131 90 HE ARG 11 HE ARG 11 10.014 4.382 6.881 91 HH11 ARG 11 1HH1 ARG 11 10.780 6.742 9.392 92 HH12 ARG 11 2HH1 ARG 11 12.460 6.643 9.164 93 HH21 ARG 11 1HH2 ARG 11 12.330 4.266 6.536 94 HH22 ARG 11 2HH2 ARG 11 13.368 5.219 7.490 95 H GLY 12 HN GLY 12 5.040 8.435 6.512 96 HA2 GLY 12 2HA GLY 12 6.120 9.874 5.059 97 HA3 GLY 12 1HA GLY 12 6.782 8.483 4.209 98 HA PRO 13 HA PRO 13 3.278 9.881 1.669 99 HB2 PRO 13 2HB PRO 13 4.672 10.530 -0.555 100 HB3 PRO 13 1HB PRO 13 4.423 11.661 0.775 101 HG2 PRO 13 2HG PRO 13 6.870 10.252 -0.040 102 HG3 PRO 13 1HG PRO 13 6.686 11.706 0.948 103 HD2 PRO 13 2HD PRO 13 7.152 8.998 1.843 104 HD3 PRO 13 1HD PRO 13 6.988 10.466 2.821 105 H CYS 14 HN CYS 14 2.120 8.462 0.465 106 HA CYS 14 HA CYS 14 3.132 5.924 -0.152 107 HB2 CYS 14 2HB CYS 14 0.779 6.255 0.266 108 HB3 CYS 14 1HB CYS 14 0.650 7.365 -1.086 109 H LEU 15 HN LEU 15 3.309 8.862 -1.788 110 HA LEU 15 HA LEU 15 3.409 8.250 -4.497 111 HB2 LEU 15 2HB LEU 15 5.127 10.213 -3.005 112 HB3 LEU 15 1HB LEU 15 4.966 10.151 -4.744 113 HG LEU 15 HG LEU 15 2.817 10.871 -2.759 114 HD11 LEU 15 1HD1 LEU 15 4.491 12.595 -3.073 115 HD12 LEU 15 2HD1 LEU 15 2.979 13.078 -3.841 116 HD13 LEU 15 3HD1 LEU 15 4.314 12.480 -4.820 117 HD21 LEU 15 1HD2 LEU 15 1.445 11.374 -4.742 118 HD22 LEU 15 2HD2 LEU 15 1.847 9.665 -4.646 119 HD23 LEU 15 3HD2 LEU 15 2.712 10.712 -5.774 120 H ARG 16 HN ARG 16 5.808 7.674 -2.027 121 HA ARG 16 HA ARG 16 7.767 6.873 -3.969 122 HB2 ARG 16 2HB ARG 16 7.768 6.397 -0.982 123 HB3 ARG 16 1HB ARG 16 9.138 6.210 -2.064 124 HG2 ARG 16 2HG ARG 16 9.005 8.653 -2.532 125 HG3 ARG 16 1HG ARG 16 7.761 8.766 -1.283 126 HD2 ARG 16 2HD ARG 16 9.858 9.337 -0.282 127 HD3 ARG 16 1HD ARG 16 9.384 7.740 0.301 128 HE ARG 16 HE ARG 16 11.064 7.740 -2.024 129 HH11 ARG 16 1HH1 ARG 16 11.077 7.652 1.520 130 HH12 ARG 16 2HH1 ARG 16 12.600 6.874 1.609 131 HH21 ARG 16 1HH2 ARG 16 13.160 6.717 -1.856 132 HH22 ARG 16 2HH2 ARG 16 13.793 6.369 -0.309 133 H ARG 17 HN ARG 17 6.783 5.316 -5.110 134 HA ARG 17 HA ARG 17 5.253 3.232 -4.042 135 HB2 ARG 17 2HB ARG 17 5.424 2.139 -6.248 136 HB3 ARG 17 1HB ARG 17 4.962 3.826 -6.356 137 HG2 ARG 17 2HG ARG 17 7.242 4.404 -7.022 138 HG3 ARG 17 1HG ARG 17 7.707 2.705 -6.891 139 HD2 ARG 17 2HD ARG 17 6.054 2.131 -8.614 140 HD3 ARG 17 1HD ARG 17 5.604 3.830 -8.736 141 HE ARG 17 HE ARG 17 8.370 3.494 -9.138 142 HH11 ARG 17 1HH1 ARG 17 5.261 3.115 -10.808 143 HH12 ARG 17 2HH1 ARG 17 5.920 3.182 -12.372 144 HH21 ARG 17 1HH2 ARG 17 9.285 3.599 -11.293 145 HH22 ARG 17 2HH2 ARG 17 8.293 3.471 -12.657 146 H SER 18 HN SER 18 8.694 3.511 -4.449 147 HA SER 18 HA SER 18 9.332 0.799 -4.098 148 HB2 SER 18 2HB SER 18 10.904 3.251 -3.241 149 HB3 SER 18 1HB SER 18 11.557 1.627 -3.465 150 HG SER 18 HG SER 18 11.028 1.758 -5.643 151 H ASN 19 HN ASN 19 8.810 3.448 -1.853 152 HA ASN 19 HA ASN 19 9.451 2.057 0.535 153 HB2 ASN 19 2HB ASN 19 9.443 4.564 0.270 154 HB3 ASN 19 1HB ASN 19 7.689 4.485 0.165 155 HD21 ASN 19 1HD2 ASN 19 7.475 5.837 1.933 156 HD22 ASN 19 2HD2 ASN 19 7.728 5.309 3.535 157 H CYS 20 HN CYS 20 6.384 2.957 -1.008 158 HA CYS 20 HA CYS 20 4.612 1.796 0.803 159 HB2 CYS 20 2HB CYS 20 3.865 3.349 -0.931 160 HB3 CYS 20 1HB CYS 20 4.316 2.210 -2.186 161 H ALA 21 HN ALA 21 5.939 0.329 -2.187 162 HA ALA 21 HA ALA 21 4.637 -2.129 -1.822 163 HB1 ALA 21 1HB ALA 21 7.167 -1.580 -3.362 164 HB2 ALA 21 2HB ALA 21 5.528 -1.409 -3.991 165 HB3 ALA 21 3HB ALA 21 6.136 -3.000 -3.528 166 H ASN 22 HN ASN 22 7.836 -0.990 -0.784 167 HA ASN 22 HA ASN 22 8.594 -3.551 0.155 168 HB2 ASN 22 2HB ASN 22 9.778 -0.842 0.630 169 HB3 ASN 22 1HB ASN 22 10.384 -2.265 1.468 170 HD21 ASN 22 1HD2 ASN 22 11.628 -0.520 -0.470 171 HD22 ASN 22 2HD2 ASN 22 12.163 -1.505 -1.772 172 H VAL 23 HN VAL 23 6.999 -0.843 1.749 173 HA VAL 23 HA VAL 23 7.205 -2.027 4.309 174 HB VAL 23 HB VAL 23 5.131 -0.038 3.300 175 HG11 VAL 23 1HG1 VAL 23 4.331 -1.341 5.243 176 HG12 VAL 23 2HG1 VAL 23 4.589 0.348 5.645 177 HG13 VAL 23 3HG1 VAL 23 5.775 -0.867 6.136 178 HG21 VAL 23 1HG2 VAL 23 7.416 0.832 3.303 179 HG22 VAL 23 2HG2 VAL 23 7.614 0.332 4.981 180 HG23 VAL 23 3HG2 VAL 23 6.461 1.600 4.572 181 H CYS 24 HN CYS 24 4.669 -2.134 1.832 182 HA CYS 24 HA CYS 24 2.962 -3.908 3.124 183 HB2 CYS 24 2HB CYS 24 3.552 -3.485 0.202 184 HB3 CYS 24 1HB CYS 24 2.260 -4.539 0.755 185 H ARG 25 HN ARG 25 5.764 -4.518 1.122 186 HA ARG 25 HA ARG 25 5.847 -7.284 0.988 187 HB2 ARG 25 2HB ARG 25 7.315 -5.848 -0.251 188 HB3 ARG 25 1HB ARG 25 7.958 -5.174 1.227 189 HG2 ARG 25 2HG ARG 25 9.053 -7.303 1.705 190 HG3 ARG 25 1HG ARG 25 8.442 -7.952 0.175 191 HD2 ARG 25 2HD ARG 25 9.582 -6.211 -1.059 192 HD3 ARG 25 1HD ARG 25 10.117 -5.465 0.440 193 HE ARG 25 HE ARG 25 10.951 -8.179 0.108 194 HH11 ARG 25 1HH1 ARG 25 11.736 -4.805 -0.634 195 HH12 ARG 25 2HH1 ARG 25 13.416 -5.061 -0.738 196 HH21 ARG 25 1HH2 ARG 25 13.259 -8.549 -0.069 197 HH22 ARG 25 2HH2 ARG 25 14.303 -7.262 -0.432 198 H THR 26 HN THR 26 7.116 -5.094 3.542 199 HA THR 26 HA THR 26 8.174 -7.026 5.184 200 HB THR 26 HB THR 26 7.198 -4.218 5.719 201 HG1 THR 26 1HG THR 26 8.693 -4.016 4.128 202 HG21 THR 26 1HG2 THR 26 8.932 -4.240 7.413 203 HG22 THR 26 2HG2 THR 26 9.236 -5.954 7.016 204 HG23 THR 26 3HG2 THR 26 7.663 -5.450 7.680 205 H GLU 27 HN GLU 27 4.921 -5.641 4.831 206 HA GLU 27 HA GLU 27 3.990 -6.872 7.274 207 HB2 GLU 27 2HB GLU 27 2.322 -5.596 5.097 208 HB3 GLU 27 1HB GLU 27 1.785 -6.010 6.722 209 HG2 GLU 27 2HG GLU 27 3.583 -4.404 7.517 210 HG3 GLU 27 1HG GLU 27 3.641 -3.840 5.849 211 H GLY 28 HN GLY 28 4.747 -8.141 4.375 212 HA2 GLY 28 2HA GLY 28 4.536 -10.455 3.949 213 HA3 GLY 28 1HA GLY 28 3.074 -10.476 4.919 214 H PHE 29 HN PHE 29 3.360 -7.974 2.589 215 HA PHE 29 HA PHE 29 1.437 -9.391 0.903 216 HB2 PHE 29 2HB PHE 29 1.860 -6.437 1.370 217 HB3 PHE 29 1HB PHE 29 0.762 -7.078 0.150 218 HD1 PHE 29 1HD PHE 29 -1.061 -8.665 0.989 219 HD2 PHE 29 2HD PHE 29 1.111 -6.041 3.518 220 HE1 PHE 29 1HE PHE 29 -2.837 -8.818 2.641 221 HE2 PHE 29 2HE PHE 29 -0.667 -6.182 5.204 222 HZ PHE 29 HZ PHE 29 -2.660 -7.570 4.776 223 HA PRO 30 HA PRO 30 4.288 -9.197 -2.547 224 HB2 PRO 30 2HB PRO 30 2.149 -8.134 -4.286 225 HB3 PRO 30 1HB PRO 30 3.055 -9.643 -4.421 226 HG2 PRO 30 2HG PRO 30 0.488 -9.626 -3.671 227 HG3 PRO 30 1HG PRO 30 1.653 -10.769 -2.984 228 HD2 PRO 30 2HD PRO 30 0.544 -8.253 -1.800 229 HD3 PRO 30 1HD PRO 30 0.854 -9.814 -1.024 230 H GLY 31 HN GLY 31 2.077 -6.384 -2.450 231 HA2 GLY 31 2HA GLY 31 4.170 -4.508 -2.359 232 HA3 GLY 31 1HA GLY 31 3.557 -4.636 -4.005 233 H GLY 32 HN GLY 32 2.998 -2.290 -3.466 234 HA2 GLY 32 2HA GLY 32 0.277 -2.242 -2.516 235 HA3 GLY 32 1HA GLY 32 1.443 -1.257 -1.633 236 H ARG 33 HN ARG 33 -0.687 -0.125 -2.834 237 HA ARG 33 HA ARG 33 0.600 1.575 -4.788 238 HB2 ARG 33 2HB ARG 33 -0.604 -0.232 -6.073 239 HB3 ARG 33 1HB ARG 33 -2.100 0.305 -5.313 240 HG2 ARG 33 2HG ARG 33 -1.932 1.180 -7.569 241 HG3 ARG 33 1HG ARG 33 -1.839 2.495 -6.391 242 HD2 ARG 33 2HD ARG 33 0.627 2.420 -6.573 243 HD3 ARG 33 1HD ARG 33 0.461 1.196 -7.831 244 HE ARG 33 HE ARG 33 -1.029 3.364 -8.642 245 HH11 ARG 33 1HH1 ARG 33 2.371 2.711 -7.839 246 HH12 ARG 33 2HH1 ARG 33 2.971 3.893 -8.909 247 HH21 ARG 33 1HH2 ARG 33 -0.169 4.991 -10.086 248 HH22 ARG 33 2HH2 ARG 33 1.513 5.217 -10.208 249 H CYS 34 HN CYS 34 -0.606 3.584 -5.003 250 HA CYS 34 HA CYS 34 -1.851 4.406 -2.533 251 HB2 CYS 34 2HB CYS 34 -1.375 5.957 -5.077 252 HB3 CYS 34 1HB CYS 34 -1.772 6.627 -3.497 253 H ARG 35 HN ARG 35 -3.967 4.309 -2.241 254 HA ARG 35 HA ARG 35 -5.689 3.877 -4.539 255 HB2 ARG 35 2HB ARG 35 -5.972 2.481 -2.528 256 HB3 ARG 35 1HB ARG 35 -6.376 3.910 -1.597 257 HG2 ARG 35 2HG ARG 35 -8.378 2.692 -2.156 258 HG3 ARG 35 1HG ARG 35 -8.363 4.240 -3.003 259 HD2 ARG 35 2HD ARG 35 -7.633 3.158 -5.039 260 HD3 ARG 35 1HD ARG 35 -7.509 1.613 -4.200 261 HE ARG 35 HE ARG 35 -10.044 3.054 -4.560 262 HH11 ARG 35 1HH1 ARG 35 -8.162 0.046 -4.652 263 HH12 ARG 35 2HH1 ARG 35 -9.475 -0.933 -5.094 264 HH21 ARG 35 1HH2 ARG 35 -11.853 1.704 -5.178 265 HH22 ARG 35 2HH2 ARG 35 -11.631 0.033 -5.421 266 H GLY 36 HN GLY 36 -6.208 5.901 -1.642 267 HA2 GLY 36 2HA GLY 36 -7.839 7.706 -3.138 268 HA3 GLY 36 1HA GLY 36 -7.415 7.833 -1.442 269 H PHE 37 HN PHE 37 -7.594 10.005 -2.975 270 HA PHE 37 HA PHE 37 -5.225 10.904 -4.243 271 HB2 PHE 37 2HB PHE 37 -7.528 11.783 -4.632 272 HB3 PHE 37 1HB PHE 37 -7.483 12.526 -3.042 273 HD1 PHE 37 1HD PHE 37 -6.067 12.561 -6.433 274 HD2 PHE 37 2HD PHE 37 -6.380 14.612 -2.718 275 HE1 PHE 37 1HE PHE 37 -5.133 14.576 -7.470 276 HE2 PHE 37 2HE PHE 37 -5.444 16.625 -3.748 277 HZ PHE 37 HZ PHE 37 -4.818 16.611 -6.133 278 H ARG 38 HN ARG 38 -6.191 10.699 -0.969 279 HA ARG 38 HA ARG 38 -4.305 12.620 0.045 280 HB2 ARG 38 2HB ARG 38 -6.066 10.585 1.405 281 HB3 ARG 38 1HB ARG 38 -4.919 11.582 2.290 282 HG2 ARG 38 2HG ARG 38 -6.021 13.592 1.549 283 HG3 ARG 38 1HG ARG 38 -7.115 12.651 0.542 284 HD2 ARG 38 2HD ARG 38 -6.929 12.374 3.530 285 HD3 ARG 38 1HD ARG 38 -8.049 13.460 2.729 286 HE ARG 38 HE ARG 38 -8.392 10.966 1.609 287 HH11 ARG 38 1HH1 ARG 38 -8.770 12.440 4.812 288 HH12 ARG 38 2HH1 ARG 38 -10.121 11.514 5.258 289 HH21 ARG 38 1HH2 ARG 38 -10.331 9.680 2.218 290 HH22 ARG 38 2HH2 ARG 38 -11.047 9.967 3.722 291 H ARG 39 HN ARG 39 -3.856 9.866 -1.393 292 HA ARG 39 HA ARG 39 -2.165 8.450 -1.732 293 HB2 ARG 39 2HB ARG 39 -0.421 10.375 -0.232 294 HB3 ARG 39 1HB ARG 39 0.068 9.250 -1.484 295 HG2 ARG 39 2HG ARG 39 -1.619 11.709 -1.827 296 HG3 ARG 39 1HG ARG 39 0.060 11.484 -2.313 297 HD2 ARG 39 2HD ARG 39 -0.612 9.820 -3.945 298 HD3 ARG 39 1HD ARG 39 -2.293 9.947 -3.409 299 HE ARG 39 HE ARG 39 -1.221 12.452 -4.098 300 HH11 ARG 39 1HH1 ARG 39 -2.511 9.502 -5.650 301 HH12 ARG 39 2HH1 ARG 39 -3.126 10.355 -6.988 302 HH21 ARG 39 1HH2 ARG 39 -2.108 13.562 -5.951 303 HH22 ARG 39 2HH2 ARG 39 -2.903 12.660 -7.160 304 H ARG 40 HN ARG 40 -3.156 6.976 -0.300 305 HA ARG 40 HA ARG 40 -1.449 6.511 2.003 306 HB2 ARG 40 2HB ARG 40 -4.332 5.611 1.740 307 HB3 ARG 40 1HB ARG 40 -3.291 5.307 3.124 308 HG2 ARG 40 2HG ARG 40 -3.143 7.858 3.320 309 HG3 ARG 40 1HG ARG 40 -4.509 7.892 2.210 310 HD2 ARG 40 2HD ARG 40 -4.385 6.616 4.934 311 HD3 ARG 40 1HD ARG 40 -5.326 8.024 4.488 312 HE ARG 40 HE ARG 40 -5.851 5.237 3.926 313 HH11 ARG 40 1HH1 ARG 40 -6.979 8.588 3.479 314 HH12 ARG 40 2HH1 ARG 40 -8.607 8.118 3.232 315 HH21 ARG 40 1HH2 ARG 40 -8.102 4.672 3.642 316 HH22 ARG 40 2HH2 ARG 40 -9.246 5.883 3.310 317 H CYS 41 HN CYS 41 -0.604 4.532 2.198 318 HA CYS 41 HA CYS 41 -0.313 3.122 -0.269 319 HB2 CYS 41 2HB CYS 41 1.617 3.573 1.162 320 HB3 CYS 41 1HB CYS 41 0.886 2.645 2.462 321 H PHE 42 HN PHE 42 -1.699 1.664 -0.887 322 HA PHE 42 HA PHE 42 -2.903 -0.076 1.119 323 HB2 PHE 42 2HB PHE 42 -3.899 0.837 -1.552 324 HB3 PHE 42 1HB PHE 42 -4.490 -0.618 -0.763 325 HD1 PHE 42 1HD PHE 42 -6.301 -0.494 0.629 326 HD2 PHE 42 2HD PHE 42 -4.037 3.027 -0.096 327 HE1 PHE 42 1HE PHE 42 -7.945 0.821 1.900 328 HE2 PHE 42 2HE PHE 42 -5.703 4.346 1.173 329 HZ PHE 42 HZ PHE 42 -7.642 3.235 2.164 330 H CYS 43 HN CYS 43 -2.091 -1.901 1.222 331 HA CYS 43 HA CYS 43 -0.268 -2.983 -0.653 332 HB2 CYS 43 2HB CYS 43 -1.625 -4.257 1.717 333 HB3 CYS 43 1HB CYS 43 -0.159 -4.819 0.916 334 H THR 44 HN THR 44 -0.689 -4.385 -2.227 335 HA THR 44 HA THR 44 -3.468 -5.067 -2.695 336 HB THR 44 HB THR 44 -1.052 -5.464 -4.486 337 HG1 THR 44 1HG THR 44 -2.054 -3.256 -3.712 338 HG21 THR 44 1HG2 THR 44 -2.740 -5.665 -6.270 339 HG22 THR 44 2HG2 THR 44 -4.026 -5.455 -5.085 340 HG23 THR 44 3HG2 THR 44 -3.008 -6.894 -5.033 341 H THR 45 HN THR 45 -4.151 -6.893 -1.931 342 HA THR 45 HA THR 45 -2.273 -9.091 -1.550 343 HB THR 45 HB THR 45 -3.222 -8.220 0.553 344 HG1 THR 45 1HG THR 45 -2.809 -10.405 0.492 345 HG21 THR 45 1HG2 THR 45 -5.356 -7.354 -0.288 346 HG22 THR 45 2HG2 THR 45 -5.599 -8.440 1.081 347 HG23 THR 45 3HG2 THR 45 -5.908 -9.010 -0.560 348 H HIS 46 HN HIS 46 -3.314 -11.222 -1.800 349 HA HIS 46 HA HIS 46 -4.876 -11.203 -4.269 350 HB2 HIS 46 2HB HIS 46 -3.464 -13.510 -2.903 351 HB3 HIS 46 1HB HIS 46 -4.291 -13.591 -4.447 352 HD1 HIS 46 1HD HIS 46 -0.993 -13.523 -3.239 353 HD2 HIS 46 2HD HIS 46 -2.993 -11.460 -6.246 354 HE1 HIS 46 1HE HIS 46 0.785 -12.715 -4.798 355 H CYS 47 HN CYS 47 -7.000 -11.484 -4.159 356 HA CYS 47 HA CYS 47 -8.014 -12.932 -1.895 357 HB2 CYS 47 2HB CYS 47 -9.293 -10.887 -3.675 358 HB3 CYS 47 1HB CYS 47 -10.250 -11.916 -2.622 Start of MODEL 9 1 H1 ARG 1 1HT ARG 1 -11.534 -10.694 -8.221 2 H2 ARG 1 2HT ARG 1 -10.869 -9.167 -8.007 3 H3 ARG 1 3HT ARG 1 -10.806 -10.298 -6.758 4 HA ARG 1 HA ARG 1 -9.402 -11.725 -7.980 5 HB2 ARG 1 2HB ARG 1 -10.225 -11.121 -10.221 6 HB3 ARG 1 1HB ARG 1 -9.466 -9.546 -10.077 7 HG2 ARG 1 2HG ARG 1 -7.272 -10.577 -10.051 8 HG3 ARG 1 1HG ARG 1 -8.006 -12.181 -10.102 9 HD2 ARG 1 2HD ARG 1 -7.232 -11.496 -12.311 10 HD3 ARG 1 1HD ARG 1 -8.986 -11.671 -12.279 11 HE ARG 1 HE ARG 1 -8.240 -8.999 -11.740 12 HH11 ARG 1 1HH1 ARG 1 -8.538 -11.276 -14.443 13 HH12 ARG 1 2HH1 ARG 1 -8.724 -10.037 -15.613 14 HH21 ARG 1 1HH2 ARG 1 -8.498 -7.346 -13.345 15 HH22 ARG 1 2HH2 ARG 1 -8.703 -7.781 -14.978 16 H THR 2 HN THR 2 -9.303 -8.180 -7.616 17 HA THR 2 HA THR 2 -6.629 -8.495 -6.481 18 HB THR 2 HB THR 2 -7.754 -5.983 -7.607 19 HG1 THR 2 1HG THR 2 -6.034 -7.773 -9.012 20 HG21 THR 2 1HG2 THR 2 -4.925 -6.978 -7.234 21 HG22 THR 2 2HG2 THR 2 -5.760 -5.788 -6.239 22 HG23 THR 2 3HG2 THR 2 -5.360 -5.411 -7.915 23 H CYS 3 HN CYS 3 -6.361 -7.393 -4.580 24 HA CYS 3 HA CYS 3 -8.619 -5.954 -3.429 25 HB2 CYS 3 2HB CYS 3 -7.043 -8.121 -2.014 26 HB3 CYS 3 1HB CYS 3 -8.296 -7.126 -1.284 27 H GLN 4 HN GLN 4 -7.929 -4.316 -2.019 28 HA GLN 4 HA GLN 4 -5.080 -4.106 -1.576 29 HB2 GLN 4 2HB GLN 4 -6.788 -1.981 -2.867 30 HB3 GLN 4 1HB GLN 4 -5.254 -1.631 -2.087 31 HG2 GLN 4 2HG GLN 4 -4.107 -3.117 -3.623 32 HG3 GLN 4 1HG GLN 4 -5.636 -3.513 -4.402 33 HE21 GLN 4 1HE2 GLN 4 -3.180 -2.349 -5.436 34 HE22 GLN 4 2HE2 GLN 4 -3.675 -0.881 -6.199 35 H SER 5 HN SER 5 -4.559 -3.479 0.338 36 HA SER 5 HA SER 5 -6.582 -2.270 2.094 37 HB2 SER 5 2HB SER 5 -6.226 -4.751 2.513 38 HB3 SER 5 1HB SER 5 -4.543 -4.390 2.856 39 HG SER 5 HG SER 5 -5.119 -3.918 4.792 40 H GLN 6 HN GLN 6 -5.652 -0.592 3.347 41 HA GLN 6 HA GLN 6 -3.103 0.253 2.351 42 HB2 GLN 6 2HB GLN 6 -3.343 2.253 3.662 43 HB3 GLN 6 1HB GLN 6 -4.824 1.935 2.782 44 HG2 GLN 6 2HG GLN 6 -5.902 1.176 4.787 45 HG3 GLN 6 1HG GLN 6 -4.388 1.317 5.690 46 HE21 GLN 6 1HE2 GLN 6 -7.019 3.050 4.234 47 HE22 GLN 6 2HE2 GLN 6 -6.614 4.573 4.919 48 H SER 7 HN SER 7 -1.266 0.525 3.388 49 HA SER 7 HA SER 7 -0.571 -1.386 5.323 50 HB2 SER 7 2HB SER 7 1.026 -0.562 3.681 51 HB3 SER 7 1HB SER 7 0.853 1.078 4.301 52 HG SER 7 HG SER 7 1.735 -1.103 5.880 53 H HIS 8 HN HIS 8 -0.017 -1.057 7.475 54 HA HIS 8 HA HIS 8 -1.574 1.097 8.738 55 HB2 HIS 8 2HB HIS 8 -2.088 -1.215 9.410 56 HB3 HIS 8 1HB HIS 8 -0.422 -1.450 9.906 57 HD1 HIS 8 1HD HIS 8 -3.604 0.334 10.973 58 HD2 HIS 8 2HD HIS 8 0.189 -0.559 12.433 59 HE1 HIS 8 1HE HIS 8 -3.649 0.899 13.410 60 H ARG 9 HN ARG 9 1.610 0.106 8.163 61 HA ARG 9 HA ARG 9 2.598 1.983 10.197 62 HB2 ARG 9 2HB ARG 9 4.429 0.403 10.661 63 HB3 ARG 9 1HB ARG 9 2.852 -0.287 11.008 64 HG2 ARG 9 2HG ARG 9 3.057 -1.277 8.610 65 HG3 ARG 9 1HG ARG 9 4.780 -0.970 8.836 66 HD2 ARG 9 2HD ARG 9 4.337 -3.204 9.510 67 HD3 ARG 9 1HD ARG 9 4.624 -2.272 10.995 68 HE ARG 9 HE ARG 9 1.967 -3.027 9.946 69 HH11 ARG 9 1HH1 ARG 9 4.073 -2.472 12.762 70 HH12 ARG 9 2HH1 ARG 9 2.958 -3.105 13.874 71 HH21 ARG 9 1HH2 ARG 9 0.454 -3.903 11.517 72 HH22 ARG 9 2HH2 ARG 9 0.877 -3.943 13.164 73 H PHE 10 HN PHE 10 2.089 2.428 7.450 74 HA PHE 10 HA PHE 10 4.563 2.280 6.019 75 HB2 PHE 10 2HB PHE 10 2.472 2.026 4.836 76 HB3 PHE 10 1HB PHE 10 1.964 3.650 5.308 77 HD1 PHE 10 1HD PHE 10 4.841 1.959 3.707 78 HD2 PHE 10 2HD PHE 10 2.244 5.272 3.757 79 HE1 PHE 10 1HE PHE 10 5.985 2.849 1.767 80 HE2 PHE 10 2HE PHE 10 3.367 6.187 1.779 81 HZ PHE 10 HZ PHE 10 5.252 4.977 0.772 82 H ARG 11 HN ARG 11 5.752 3.976 5.216 83 HA ARG 11 HA ARG 11 5.947 6.250 7.053 84 HB2 ARG 11 2HB ARG 11 7.978 4.883 5.288 85 HB3 ARG 11 1HB ARG 11 8.293 6.324 6.242 86 HG2 ARG 11 2HG ARG 11 8.000 5.123 8.284 87 HG3 ARG 11 1HG ARG 11 7.394 3.713 7.406 88 HD2 ARG 11 2HD ARG 11 10.145 4.807 6.910 89 HD3 ARG 11 1HD ARG 11 9.843 3.661 8.209 90 HE ARG 11 HE ARG 11 9.160 2.056 6.593 91 HH11 ARG 11 1HH1 ARG 11 10.759 4.881 5.137 92 HH12 ARG 11 2HH1 ARG 11 11.301 4.057 3.768 93 HH21 ARG 11 1HH2 ARG 11 9.943 0.895 4.698 94 HH22 ARG 11 2HH2 ARG 11 10.836 1.723 3.524 95 H GLY 12 HN GLY 12 5.057 8.046 6.135 96 HA2 GLY 12 2HA GLY 12 5.060 9.857 4.698 97 HA3 GLY 12 1HA GLY 12 6.085 8.952 3.599 98 HA PRO 13 HA PRO 13 1.938 8.791 1.668 99 HB2 PRO 13 2HB PRO 13 2.454 10.134 -0.577 100 HB3 PRO 13 1HB PRO 13 2.098 10.985 0.928 101 HG2 PRO 13 2HG PRO 13 4.708 10.584 -0.447 102 HG3 PRO 13 1HG PRO 13 4.152 11.953 0.526 103 HD2 PRO 13 2HD PRO 13 5.823 9.850 1.393 104 HD3 PRO 13 1HD PRO 13 5.021 11.048 2.424 105 H CYS 14 HN CYS 14 1.320 7.619 -0.269 106 HA CYS 14 HA CYS 14 2.866 5.311 -0.769 107 HB2 CYS 14 2HB CYS 14 1.126 4.748 -2.392 108 HB3 CYS 14 1HB CYS 14 0.446 5.337 -0.873 109 H LEU 15 HN LEU 15 3.235 8.331 -2.120 110 HA LEU 15 HA LEU 15 3.680 7.727 -4.835 111 HB2 LEU 15 2HB LEU 15 4.544 10.091 -3.189 112 HB3 LEU 15 1HB LEU 15 4.908 9.948 -4.893 113 HG LEU 15 HG LEU 15 3.037 11.386 -4.646 114 HD11 LEU 15 1HD1 LEU 15 1.351 10.295 -5.990 115 HD12 LEU 15 2HD1 LEU 15 2.049 8.725 -5.623 116 HD13 LEU 15 3HD1 LEU 15 2.975 9.904 -6.556 117 HD21 LEU 15 1HD2 LEU 15 2.222 10.781 -2.474 118 HD22 LEU 15 2HD2 LEU 15 1.742 9.185 -3.045 119 HD23 LEU 15 3HD2 LEU 15 0.890 10.615 -3.618 120 H ARG 16 HN ARG 16 5.626 7.140 -2.146 121 HA ARG 16 HA ARG 16 7.912 6.767 -3.909 122 HB2 ARG 16 2HB ARG 16 7.751 6.488 -0.901 123 HB3 ARG 16 1HB ARG 16 9.216 6.349 -1.853 124 HG2 ARG 16 2HG ARG 16 7.554 8.855 -1.555 125 HG3 ARG 16 1HG ARG 16 9.049 8.514 -0.698 126 HD2 ARG 16 2HD ARG 16 9.541 10.012 -2.499 127 HD3 ARG 16 1HD ARG 16 10.219 8.444 -2.923 128 HE ARG 16 HE ARG 16 7.766 8.452 -4.119 129 HH11 ARG 16 1HH1 ARG 16 10.420 10.768 -4.261 130 HH12 ARG 16 2HH1 ARG 16 10.135 11.168 -5.894 131 HH21 ARG 16 1HH2 ARG 16 7.359 9.040 -6.328 132 HH22 ARG 16 2HH2 ARG 16 8.393 10.188 -7.066 133 H ARG 17 HN ARG 17 7.496 5.076 -5.037 134 HA ARG 17 HA ARG 17 5.760 3.037 -4.205 135 HB2 ARG 17 2HB ARG 17 6.264 1.901 -6.297 136 HB3 ARG 17 1HB ARG 17 5.913 3.600 -6.529 137 HG2 ARG 17 2HG ARG 17 8.313 4.055 -6.774 138 HG3 ARG 17 1HG ARG 17 8.649 2.334 -6.567 139 HD2 ARG 17 2HD ARG 17 8.607 2.933 -8.932 140 HD3 ARG 17 1HD ARG 17 7.281 1.839 -8.526 141 HE ARG 17 HE ARG 17 6.739 4.684 -8.482 142 HH11 ARG 17 1HH1 ARG 17 6.359 1.616 -10.228 143 HH12 ARG 17 2HH1 ARG 17 5.105 2.191 -11.221 144 HH21 ARG 17 1HH2 ARG 17 4.995 5.449 -9.839 145 HH22 ARG 17 2HH2 ARG 17 4.322 4.410 -10.999 146 H SER 18 HN SER 18 9.280 3.135 -4.172 147 HA SER 18 HA SER 18 9.419 0.351 -3.624 148 HB2 SER 18 2HB SER 18 11.535 2.494 -3.340 149 HB3 SER 18 1HB SER 18 11.809 0.750 -3.298 150 HG SER 18 HG SER 18 10.518 0.959 -5.415 151 H ASN 19 HN ASN 19 9.102 3.247 -1.739 152 HA ASN 19 HA ASN 19 9.613 1.984 0.791 153 HB2 ASN 19 2HB ASN 19 8.156 4.536 0.057 154 HB3 ASN 19 1HB ASN 19 8.182 3.940 1.707 155 HD21 ASN 19 1HD2 ASN 19 9.255 5.831 2.387 156 HD22 ASN 19 2HD2 ASN 19 10.918 6.079 2.045 157 H CYS 20 HN CYS 20 6.820 2.682 -1.174 158 HA CYS 20 HA CYS 20 4.812 1.718 0.528 159 HB2 CYS 20 2HB CYS 20 4.543 3.140 -1.566 160 HB3 CYS 20 1HB CYS 20 4.806 1.684 -2.506 161 H ALA 21 HN ALA 21 6.561 0.088 -2.126 162 HA ALA 21 HA ALA 21 5.414 -2.428 -1.749 163 HB1 ALA 21 1HB ALA 21 8.148 -1.767 -2.841 164 HB2 ALA 21 2HB ALA 21 6.652 -1.788 -3.773 165 HB3 ALA 21 3HB ALA 21 7.276 -3.282 -3.072 166 H ASN 22 HN ASN 22 8.335 -0.965 -0.362 167 HA ASN 22 HA ASN 22 9.332 -3.197 0.973 168 HB2 ASN 22 2HB ASN 22 10.692 -1.244 0.672 169 HB3 ASN 22 1HB ASN 22 9.586 -0.265 1.619 170 HD21 ASN 22 1HD2 ASN 22 12.030 -2.758 1.741 171 HD22 ASN 22 2HD2 ASN 22 12.424 -2.523 3.405 172 H VAL 23 HN VAL 23 7.075 -0.736 2.222 173 HA VAL 23 HA VAL 23 7.032 -2.061 4.747 174 HB VAL 23 HB VAL 23 5.061 0.008 3.758 175 HG11 VAL 23 1HG1 VAL 23 4.272 -1.305 5.678 176 HG12 VAL 23 2HG1 VAL 23 4.598 0.353 6.160 177 HG13 VAL 23 3HG1 VAL 23 5.750 -0.922 6.554 178 HG21 VAL 23 1HG2 VAL 23 7.602 0.333 5.355 179 HG22 VAL 23 2HG2 VAL 23 6.442 1.619 5.052 180 HG23 VAL 23 3HG2 VAL 23 7.329 0.897 3.709 181 H CYS 24 HN CYS 24 4.864 -2.026 1.938 182 HA CYS 24 HA CYS 24 2.965 -3.741 3.021 183 HB2 CYS 24 2HB CYS 24 3.906 -3.369 0.176 184 HB3 CYS 24 1HB CYS 24 2.563 -4.428 0.579 185 H ARG 25 HN ARG 25 6.047 -4.422 1.466 186 HA ARG 25 HA ARG 25 5.967 -7.199 1.479 187 HB2 ARG 25 2HB ARG 25 7.695 -5.915 0.305 188 HB3 ARG 25 1HB ARG 25 8.303 -5.315 1.829 189 HG2 ARG 25 2HG ARG 25 9.753 -7.032 0.944 190 HG3 ARG 25 1HG ARG 25 9.004 -7.558 2.451 191 HD2 ARG 25 2HD ARG 25 7.381 -8.869 1.169 192 HD3 ARG 25 1HD ARG 25 8.152 -8.340 -0.329 193 HE ARG 25 HE ARG 25 10.203 -9.375 0.972 194 HH11 ARG 25 1HH1 ARG 25 6.959 -10.698 0.352 195 HH12 ARG 25 2HH1 ARG 25 7.445 -12.316 0.414 196 HH21 ARG 25 1HH2 ARG 25 10.870 -11.611 1.045 197 HH22 ARG 25 2HH2 ARG 25 9.729 -12.853 0.793 198 H THR 26 HN THR 26 7.068 -4.931 4.011 199 HA THR 26 HA THR 26 7.742 -6.997 5.800 200 HB THR 26 HB THR 26 7.752 -5.215 7.577 201 HG1 THR 26 1HG THR 26 6.281 -3.853 5.840 202 HG21 THR 26 1HG2 THR 26 9.781 -5.729 6.356 203 HG22 THR 26 2HG2 THR 26 9.686 -3.990 6.630 204 HG23 THR 26 3HG2 THR 26 9.294 -4.656 5.045 205 H GLU 27 HN GLU 27 4.655 -5.493 5.120 206 HA GLU 27 HA GLU 27 3.582 -6.808 7.456 207 HB2 GLU 27 2HB GLU 27 2.127 -5.058 5.446 208 HB3 GLU 27 1HB GLU 27 1.384 -5.791 6.866 209 HG2 GLU 27 2HG GLU 27 3.143 -4.556 8.211 210 HG3 GLU 27 1HG GLU 27 3.450 -3.635 6.744 211 H GLY 28 HN GLY 28 4.388 -7.862 4.524 212 HA2 GLY 28 2HA GLY 28 4.143 -10.183 4.027 213 HA3 GLY 28 1HA GLY 28 2.608 -10.166 4.871 214 H PHE 29 HN PHE 29 3.315 -7.702 2.520 215 HA PHE 29 HA PHE 29 1.373 -8.991 0.762 216 HB2 PHE 29 2HB PHE 29 1.839 -6.080 1.324 217 HB3 PHE 29 1HB PHE 29 0.768 -6.666 0.049 218 HD1 PHE 29 1HD PHE 29 0.969 -5.629 3.417 219 HD2 PHE 29 2HD PHE 29 -1.025 -8.351 0.851 220 HE1 PHE 29 1HE PHE 29 -0.872 -5.793 5.039 221 HE2 PHE 29 2HE PHE 29 -2.878 -8.519 2.426 222 HZ PHE 29 HZ PHE 29 -2.811 -7.238 4.553 223 HA PRO 30 HA PRO 30 4.394 -9.159 -2.416 224 HB2 PRO 30 2HB PRO 30 2.806 -9.291 -4.600 225 HB3 PRO 30 1HB PRO 30 2.977 -10.625 -3.455 226 HG2 PRO 30 2HG PRO 30 0.820 -8.556 -3.637 227 HG3 PRO 30 1HG PRO 30 0.660 -10.306 -3.410 228 HD2 PRO 30 2HD PRO 30 0.478 -8.575 -1.357 229 HD3 PRO 30 1HD PRO 30 1.194 -10.187 -1.162 230 H GLY 31 HN GLY 31 2.245 -6.415 -2.309 231 HA2 GLY 31 2HA GLY 31 4.230 -4.718 -3.402 232 HA3 GLY 31 1HA GLY 31 3.008 -5.063 -4.618 233 H GLY 32 HN GLY 32 3.369 -2.482 -3.848 234 HA2 GLY 32 2HA GLY 32 0.855 -1.942 -2.485 235 HA3 GLY 32 1HA GLY 32 2.326 -1.160 -1.899 236 H ARG 33 HN ARG 33 -0.140 -0.087 -3.182 237 HA ARG 33 HA ARG 33 1.171 1.518 -5.271 238 HB2 ARG 33 2HB ARG 33 -1.600 0.333 -5.560 239 HB3 ARG 33 1HB ARG 33 -0.764 1.327 -6.733 240 HG2 ARG 33 2HG ARG 33 0.870 -0.472 -7.071 241 HG3 ARG 33 1HG ARG 33 -0.004 -1.464 -5.901 242 HD2 ARG 33 2HD ARG 33 -2.033 -1.206 -7.336 243 HD3 ARG 33 1HD ARG 33 -1.001 -0.427 -8.536 244 HE ARG 33 HE ARG 33 -0.211 -3.045 -7.603 245 HH11 ARG 33 1HH1 ARG 33 -1.674 -1.135 -10.202 246 HH12 ARG 33 2HH1 ARG 33 -1.632 -2.404 -11.346 247 HH21 ARG 33 1HH2 ARG 33 -0.179 -4.770 -9.150 248 HH22 ARG 33 2HH2 ARG 33 -0.694 -4.509 -10.749 249 H CYS 34 HN CYS 34 -0.474 3.368 -5.844 250 HA CYS 34 HA CYS 34 -1.525 4.469 -3.379 251 HB2 CYS 34 2HB CYS 34 -1.280 5.603 -6.178 252 HB3 CYS 34 1HB CYS 34 -2.034 6.465 -4.844 253 H ARG 35 HN ARG 35 -3.644 4.640 -2.916 254 HA ARG 35 HA ARG 35 -5.633 4.135 -4.969 255 HB2 ARG 35 2HB ARG 35 -5.077 1.860 -4.265 256 HB3 ARG 35 1HB ARG 35 -5.341 2.293 -2.587 257 HG2 ARG 35 2HG ARG 35 -7.200 0.992 -3.462 258 HG3 ARG 35 1HG ARG 35 -7.723 2.622 -3.041 259 HD2 ARG 35 2HD ARG 35 -8.685 1.895 -5.161 260 HD3 ARG 35 1HD ARG 35 -7.606 3.276 -5.373 261 HE ARG 35 HE ARG 35 -6.442 0.665 -5.765 262 HH11 ARG 35 1HH1 ARG 35 -7.953 3.480 -7.325 263 HH12 ARG 35 2HH1 ARG 35 -7.318 3.142 -8.874 264 HH21 ARG 35 1HH2 ARG 35 -5.582 0.217 -7.960 265 HH22 ARG 35 2HH2 ARG 35 -5.980 1.265 -9.235 266 H GLY 36 HN GLY 36 -4.972 4.616 -1.547 267 HA2 GLY 36 2HA GLY 36 -7.566 5.579 -0.948 268 HA3 GLY 36 1HA GLY 36 -6.132 5.712 0.063 269 H PHE 37 HN PHE 37 -8.290 7.579 -0.613 270 HA PHE 37 HA PHE 37 -7.535 9.675 -2.288 271 HB2 PHE 37 2HB PHE 37 -9.790 9.453 -1.445 272 HB3 PHE 37 1HB PHE 37 -9.220 9.590 0.208 273 HD1 PHE 37 1HD PHE 37 -9.419 11.510 -2.962 274 HD2 PHE 37 2HD PHE 37 -9.310 11.640 1.285 275 HE1 PHE 37 1HE PHE 37 -9.890 13.927 -3.025 276 HE2 PHE 37 2HE PHE 37 -9.771 14.051 1.228 277 HZ PHE 37 HZ PHE 37 -10.062 15.195 -0.931 278 H ARG 38 HN ARG 38 -6.581 8.862 0.942 279 HA ARG 38 HA ARG 38 -5.380 11.425 1.543 280 HB2 ARG 38 2HB ARG 38 -5.294 8.801 3.048 281 HB3 ARG 38 1HB ARG 38 -4.710 10.344 3.651 282 HG2 ARG 38 2HG ARG 38 -7.562 9.717 2.926 283 HG3 ARG 38 1HG ARG 38 -6.896 9.704 4.560 284 HD2 ARG 38 2HD ARG 38 -6.360 12.036 4.385 285 HD3 ARG 38 1HD ARG 38 -6.945 12.086 2.719 286 HE ARG 38 HE ARG 38 -9.047 11.164 4.138 287 HH11 ARG 38 1HH1 ARG 38 -6.991 14.002 4.480 288 HH12 ARG 38 2HH1 ARG 38 -8.225 15.018 5.058 289 HH21 ARG 38 1HH2 ARG 38 -10.724 12.491 4.914 290 HH22 ARG 38 2HH2 ARG 38 -10.430 14.128 5.321 291 H ARG 39 HN ARG 39 -4.455 9.352 -0.642 292 HA ARG 39 HA ARG 39 -2.521 8.811 -1.702 293 HB2 ARG 39 2HB ARG 39 -1.228 10.767 0.243 294 HB3 ARG 39 1HB ARG 39 -0.501 10.175 -1.245 295 HG2 ARG 39 2HG ARG 39 -2.098 11.341 -2.583 296 HG3 ARG 39 1HG ARG 39 -3.070 11.743 -1.168 297 HD2 ARG 39 2HD ARG 39 -1.872 13.696 -1.778 298 HD3 ARG 39 1HD ARG 39 -1.125 13.058 -0.317 299 HE ARG 39 HE ARG 39 -0.000 12.481 -2.953 300 HH11 ARG 39 1HH1 ARG 39 0.428 13.835 0.308 301 HH12 ARG 39 2HH1 ARG 39 2.019 14.374 0.052 302 HH21 ARG 39 1HH2 ARG 39 2.201 13.273 -3.317 303 HH22 ARG 39 2HH2 ARG 39 3.035 14.081 -2.077 304 H ARG 40 HN ARG 40 -3.450 7.148 0.165 305 HA ARG 40 HA ARG 40 -1.337 6.368 2.009 306 HB2 ARG 40 2HB ARG 40 -4.115 5.311 1.576 307 HB3 ARG 40 1HB ARG 40 -2.995 4.646 2.757 308 HG2 ARG 40 2HG ARG 40 -3.943 7.480 2.715 309 HG3 ARG 40 1HG ARG 40 -4.708 6.207 3.678 310 HD2 ARG 40 2HD ARG 40 -1.836 7.132 3.904 311 HD3 ARG 40 1HD ARG 40 -3.160 7.584 4.977 312 HE ARG 40 HE ARG 40 -3.216 4.914 5.126 313 HH11 ARG 40 1HH1 ARG 40 -0.544 7.207 5.548 314 HH12 ARG 40 2HH1 ARG 40 0.242 6.244 6.725 315 HH21 ARG 40 1HH2 ARG 40 -2.058 3.597 6.689 316 HH22 ARG 40 2HH2 ARG 40 -0.641 4.209 7.382 317 H CYS 41 HN CYS 41 -0.202 4.558 1.892 318 HA CYS 41 HA CYS 41 0.114 3.238 -0.615 319 HB2 CYS 41 2HB CYS 41 2.009 3.585 0.913 320 HB3 CYS 41 1HB CYS 41 1.224 2.591 2.127 321 H PHE 42 HN PHE 42 -1.266 1.851 -1.333 322 HA PHE 42 HA PHE 42 -2.679 0.144 0.539 323 HB2 PHE 42 2HB PHE 42 -3.374 1.304 -2.064 324 HB3 PHE 42 1HB PHE 42 -4.008 -0.290 -1.712 325 HD1 PHE 42 1HD PHE 42 -3.703 3.046 -0.022 326 HD2 PHE 42 2HD PHE 42 -6.101 -0.395 -0.738 327 HE1 PHE 42 1HE PHE 42 -5.574 4.044 1.274 328 HE2 PHE 42 2HE PHE 42 -7.929 0.598 0.535 329 HZ PHE 42 HZ PHE 42 -7.667 2.817 1.546 330 H CYS 43 HN CYS 43 -2.002 -1.647 0.775 331 HA CYS 43 HA CYS 43 -0.045 -2.860 -0.884 332 HB2 CYS 43 2HB CYS 43 -1.536 -3.874 1.531 333 HB3 CYS 43 1HB CYS 43 -0.115 -4.621 0.808 334 H THR 44 HN THR 44 -0.447 -4.122 -2.472 335 HA THR 44 HA THR 44 -3.172 -4.829 -3.114 336 HB THR 44 HB THR 44 -0.605 -5.202 -4.677 337 HG1 THR 44 1HG THR 44 -1.556 -2.994 -3.946 338 HG21 THR 44 1HG2 THR 44 -2.120 -5.313 -6.620 339 HG22 THR 44 2HG2 THR 44 -3.509 -5.141 -5.549 340 HG23 THR 44 3HG2 THR 44 -2.503 -6.588 -5.462 341 H THR 45 HN THR 45 -3.958 -6.786 -2.791 342 HA THR 45 HA THR 45 -2.196 -9.047 -2.399 343 HB THR 45 HB THR 45 -2.553 -7.972 -0.194 344 HG1 THR 45 1HG THR 45 -3.845 -10.009 0.623 345 HG21 THR 45 1HG2 THR 45 -4.769 -6.999 -0.571 346 HG22 THR 45 2HG2 THR 45 -4.762 -8.012 0.869 347 HG23 THR 45 3HG2 THR 45 -5.474 -8.618 -0.627 348 H HIS 46 HN HIS 46 -3.693 -11.008 -2.169 349 HA HIS 46 HA HIS 46 -6.057 -10.608 -3.853 350 HB2 HIS 46 2HB HIS 46 -4.345 -13.092 -3.586 351 HB3 HIS 46 1HB HIS 46 -5.844 -12.995 -4.504 352 HD1 HIS 46 1HD HIS 46 -5.757 -11.568 -6.743 353 HD2 HIS 46 2HD HIS 46 -2.126 -12.048 -4.784 354 HE1 HIS 46 1HE HIS 46 -4.002 -10.953 -8.400 355 H CYS 47 HN CYS 47 -7.979 -11.517 -3.235 356 HA CYS 47 HA CYS 47 -8.100 -12.368 -0.466 357 HB2 CYS 47 2HB CYS 47 -10.282 -11.557 -2.402 358 HB3 CYS 47 1HB CYS 47 -10.549 -11.995 -0.719 Start of MODEL 10 1 H1 ARG 1 1HT ARG 1 -10.582 -11.957 -5.904 2 H2 ARG 1 2HT ARG 1 -11.463 -11.608 -7.311 3 H3 ARG 1 3HT ARG 1 -11.057 -10.366 -6.230 4 HA ARG 1 HA ARG 1 -9.199 -12.013 -7.838 5 HB2 ARG 1 2HB ARG 1 -10.414 -10.211 -9.084 6 HB3 ARG 1 1HB ARG 1 -9.799 -9.044 -7.940 7 HG2 ARG 1 2HG ARG 1 -7.479 -9.698 -8.640 8 HG3 ARG 1 1HG ARG 1 -8.210 -10.649 -9.934 9 HD2 ARG 1 2HD ARG 1 -8.440 -7.683 -9.482 10 HD3 ARG 1 1HD ARG 1 -7.608 -8.497 -10.807 11 HE ARG 1 HE ARG 1 -10.039 -9.415 -11.157 12 HH11 ARG 1 1HH1 ARG 1 -9.041 -6.068 -10.397 13 HH12 ARG 1 2HH1 ARG 1 -10.320 -5.355 -11.238 14 HH21 ARG 1 1HH2 ARG 1 -11.847 -8.385 -12.252 15 HH22 ARG 1 2HH2 ARG 1 -11.944 -6.683 -12.302 16 H THR 2 HN THR 2 -9.041 -8.779 -6.358 17 HA THR 2 HA THR 2 -6.925 -9.678 -4.616 18 HB THR 2 HB THR 2 -5.881 -7.399 -5.238 19 HG1 THR 2 1HG THR 2 -6.404 -7.051 -7.591 20 HG21 THR 2 1HG2 THR 2 -4.651 -8.367 -7.156 21 HG22 THR 2 2HG2 THR 2 -5.852 -9.657 -7.263 22 HG23 THR 2 3HG2 THR 2 -4.821 -9.529 -5.840 23 H CYS 3 HN CYS 3 -6.510 -7.868 -3.061 24 HA CYS 3 HA CYS 3 -8.809 -6.180 -2.564 25 HB2 CYS 3 2HB CYS 3 -7.701 -8.318 -0.803 26 HB3 CYS 3 1HB CYS 3 -8.506 -6.910 -0.047 27 H GLN 4 HN GLN 4 -8.247 -4.322 -1.468 28 HA GLN 4 HA GLN 4 -5.361 -3.892 -1.267 29 HB2 GLN 4 2HB GLN 4 -7.623 -1.986 -1.799 30 HB3 GLN 4 1HB GLN 4 -6.051 -1.400 -1.298 31 HG2 GLN 4 2HG GLN 4 -5.060 -2.533 -3.267 32 HG3 GLN 4 1HG GLN 4 -6.686 -2.986 -3.778 33 HE21 GLN 4 1HE2 GLN 4 -8.037 -1.411 -4.549 34 HE22 GLN 4 2HE2 GLN 4 -7.498 0.144 -5.050 35 H SER 5 HN SER 5 -4.539 -3.838 0.610 36 HA SER 5 HA SER 5 -6.272 -3.338 2.905 37 HB2 SER 5 2HB SER 5 -3.668 -4.859 2.746 38 HB3 SER 5 1HB SER 5 -4.739 -4.740 4.146 39 HG SER 5 HG SER 5 -6.367 -5.584 2.558 40 H GLN 6 HN GLN 6 -5.675 -1.774 4.327 41 HA GLN 6 HA GLN 6 -3.937 0.272 3.501 42 HB2 GLN 6 2HB GLN 6 -5.777 0.773 4.955 43 HB3 GLN 6 1HB GLN 6 -5.173 -0.339 6.179 44 HG2 GLN 6 2HG GLN 6 -4.724 1.913 6.886 45 HG3 GLN 6 1HG GLN 6 -3.205 1.122 6.480 46 HE21 GLN 6 1HE2 GLN 6 -2.095 2.992 6.096 47 HE22 GLN 6 2HE2 GLN 6 -2.426 4.023 4.768 48 H SER 7 HN SER 7 -1.812 0.472 3.692 49 HA SER 7 HA SER 7 -0.228 -1.369 5.161 50 HB2 SER 7 2HB SER 7 0.545 1.309 3.985 51 HB3 SER 7 1HB SER 7 1.590 -0.095 4.247 52 HG SER 7 HG SER 7 0.832 -0.994 2.434 53 H HIS 8 HN HIS 8 -0.509 -1.233 7.344 54 HA HIS 8 HA HIS 8 -1.421 1.175 8.586 55 HB2 HIS 8 2HB HIS 8 -0.636 -1.450 9.830 56 HB3 HIS 8 1HB HIS 8 -1.441 -0.132 10.671 57 HD1 HIS 8 1HD HIS 8 -2.167 -3.193 8.852 58 HD2 HIS 8 2HD HIS 8 -4.059 0.463 9.457 59 HE1 HIS 8 1HE HIS 8 -4.589 -3.567 8.292 60 H ARG 9 HN ARG 9 1.638 -0.358 8.301 61 HA ARG 9 HA ARG 9 2.787 1.429 10.332 62 HB2 ARG 9 2HB ARG 9 4.748 0.024 10.227 63 HB3 ARG 9 1HB ARG 9 3.325 -0.992 10.383 64 HG2 ARG 9 2HG ARG 9 3.403 -1.341 7.909 65 HG3 ARG 9 1HG ARG 9 4.934 -0.484 7.895 66 HD2 ARG 9 2HD ARG 9 4.292 -3.046 9.332 67 HD3 ARG 9 1HD ARG 9 5.354 -2.851 7.952 68 HE ARG 9 HE ARG 9 6.384 -1.207 9.865 69 HH11 ARG 9 1HH1 ARG 9 5.741 -4.701 9.587 70 HH12 ARG 9 2HH1 ARG 9 6.871 -5.119 10.781 71 HH21 ARG 9 1HH2 ARG 9 7.941 -1.812 11.464 72 HH22 ARG 9 2HH2 ARG 9 8.158 -3.464 11.871 73 H PHE 10 HN PHE 10 1.894 2.122 7.496 74 HA PHE 10 HA PHE 10 4.355 2.724 6.131 75 HB2 PHE 10 2HB PHE 10 2.409 1.953 4.866 76 HB3 PHE 10 1HB PHE 10 1.485 3.347 5.410 77 HD1 PHE 10 1HD PHE 10 4.409 2.305 3.429 78 HD2 PHE 10 2HD PHE 10 1.615 5.406 4.234 79 HE1 PHE 10 1HE PHE 10 5.235 3.539 1.524 80 HE2 PHE 10 2HE PHE 10 2.451 6.653 2.317 81 HZ PHE 10 HZ PHE 10 4.276 5.729 0.950 82 H ARG 11 HN ARG 11 5.438 4.539 6.374 83 HA ARG 11 HA ARG 11 4.018 6.841 7.467 84 HB2 ARG 11 2HB ARG 11 6.198 7.686 8.231 85 HB3 ARG 11 1HB ARG 11 5.712 6.181 8.988 86 HG2 ARG 11 2HG ARG 11 7.262 4.949 7.697 87 HG3 ARG 11 1HG ARG 11 7.641 6.364 6.699 88 HD2 ARG 11 2HD ARG 11 7.915 6.325 9.626 89 HD3 ARG 11 1HD ARG 11 9.264 5.781 8.595 90 HE ARG 11 HE ARG 11 8.425 8.297 7.737 91 HH11 ARG 11 1HH1 ARG 11 9.853 6.960 10.680 92 HH12 ARG 11 2HH1 ARG 11 10.723 8.378 11.071 93 HH21 ARG 11 1HH2 ARG 11 9.660 10.246 8.268 94 HH22 ARG 11 2HH2 ARG 11 10.598 10.274 9.684 95 H GLY 12 HN GLY 12 4.181 8.772 6.486 96 HA2 GLY 12 2HA GLY 12 4.978 10.335 4.953 97 HA3 GLY 12 1HA GLY 12 5.883 9.056 4.149 98 HA PRO 13 HA PRO 13 1.999 9.538 1.740 99 HB2 PRO 13 2HB PRO 13 2.912 10.803 -0.425 100 HB3 PRO 13 1HB PRO 13 2.485 11.703 1.029 101 HG2 PRO 13 2HG PRO 13 5.163 11.020 -0.050 102 HG3 PRO 13 1HG PRO 13 4.659 12.430 0.892 103 HD2 PRO 13 2HD PRO 13 5.979 10.121 1.871 104 HD3 PRO 13 1HD PRO 13 5.245 11.414 2.839 105 H CYS 14 HN CYS 14 1.468 8.340 -0.188 106 HA CYS 14 HA CYS 14 3.099 6.096 -0.645 107 HB2 CYS 14 2HB CYS 14 0.626 6.077 -0.851 108 HB3 CYS 14 1HB CYS 14 0.756 7.057 -2.304 109 H LEU 15 HN LEU 15 3.438 9.195 -1.813 110 HA LEU 15 HA LEU 15 4.197 9.015 -4.489 111 HB2 LEU 15 2HB LEU 15 5.494 10.683 -2.331 112 HB3 LEU 15 1HB LEU 15 5.648 10.953 -4.052 113 HG LEU 15 HG LEU 15 3.113 11.237 -2.440 114 HD11 LEU 15 1HD1 LEU 15 4.734 12.993 -1.990 115 HD12 LEU 15 2HD1 LEU 15 3.359 13.612 -2.903 116 HD13 LEU 15 3HD1 LEU 15 4.890 13.300 -3.720 117 HD21 LEU 15 1HD2 LEU 15 2.179 12.188 -4.508 118 HD22 LEU 15 2HD2 LEU 15 2.624 10.496 -4.701 119 HD23 LEU 15 3HD2 LEU 15 3.661 11.760 -5.361 120 H ARG 16 HN ARG 16 5.924 8.238 -1.562 121 HA ARG 16 HA ARG 16 8.274 7.379 -3.027 122 HB2 ARG 16 2HB ARG 16 7.654 7.102 -0.069 123 HB3 ARG 16 1HB ARG 16 9.216 6.867 -0.833 124 HG2 ARG 16 2HG ARG 16 9.287 9.243 -1.410 125 HG3 ARG 16 1HG ARG 16 7.719 9.472 -0.641 126 HD2 ARG 16 2HD ARG 16 8.708 8.685 1.498 127 HD3 ARG 16 1HD ARG 16 10.277 8.598 0.699 128 HE ARG 16 HE ARG 16 9.066 11.151 0.411 129 HH11 ARG 16 1HH1 ARG 16 10.977 9.198 2.686 130 HH12 ARG 16 2HH1 ARG 16 11.555 10.528 3.563 131 HH21 ARG 16 1HH2 ARG 16 9.882 12.987 1.639 132 HH22 ARG 16 2HH2 ARG 16 10.920 12.715 2.971 133 H ARG 17 HN ARG 17 7.192 5.769 -4.273 134 HA ARG 17 HA ARG 17 5.677 3.753 -3.013 135 HB2 ARG 17 2HB ARG 17 6.757 3.925 -5.807 136 HB3 ARG 17 1HB ARG 17 5.880 2.520 -5.224 137 HG2 ARG 17 2HG ARG 17 3.939 3.886 -4.745 138 HG3 ARG 17 1HG ARG 17 4.812 5.332 -5.257 139 HD2 ARG 17 2HD ARG 17 4.261 2.951 -7.015 140 HD3 ARG 17 1HD ARG 17 3.283 4.416 -6.978 141 HE ARG 17 HE ARG 17 5.224 5.636 -7.697 142 HH11 ARG 17 1HH1 ARG 17 5.402 2.109 -8.179 143 HH12 ARG 17 2HH1 ARG 17 6.393 2.225 -9.557 144 HH21 ARG 17 1HH2 ARG 17 6.628 5.744 -9.556 145 HH22 ARG 17 2HH2 ARG 17 7.130 4.313 -10.337 146 H SER 18 HN SER 18 9.018 4.128 -3.293 147 HA SER 18 HA SER 18 9.770 1.434 -3.126 148 HB2 SER 18 2HB SER 18 11.825 2.452 -1.990 149 HB3 SER 18 1HB SER 18 11.461 3.039 -3.612 150 HG SER 18 HG SER 18 11.831 4.498 -1.563 151 H ASN 19 HN ASN 19 8.748 3.829 -0.769 152 HA ASN 19 HA ASN 19 9.090 2.292 1.599 153 HB2 ASN 19 2HB ASN 19 7.150 4.545 0.989 154 HB3 ASN 19 1HB ASN 19 7.358 3.835 2.578 155 HD21 ASN 19 1HD2 ASN 19 7.887 5.835 3.411 156 HD22 ASN 19 2HD2 ASN 19 9.412 6.572 3.140 157 H CYS 20 HN CYS 20 6.380 2.970 -0.504 158 HA CYS 20 HA CYS 20 4.360 1.554 0.754 159 HB2 CYS 20 2HB CYS 20 4.028 3.148 -1.115 160 HB3 CYS 20 1HB CYS 20 4.773 1.999 -2.215 161 H ALA 21 HN ALA 21 6.447 0.432 -1.914 162 HA ALA 21 HA ALA 21 5.503 -2.214 -1.917 163 HB1 ALA 21 1HB ALA 21 8.147 -1.104 -2.856 164 HB2 ALA 21 2HB ALA 21 6.672 -1.239 -3.821 165 HB3 ALA 21 3HB ALA 21 7.500 -2.692 -3.256 166 H ASN 22 HN ASN 22 8.202 -0.656 -0.208 167 HA ASN 22 HA ASN 22 9.425 -2.968 0.809 168 HB2 ASN 22 2HB ASN 22 10.466 -0.736 0.921 169 HB3 ASN 22 1HB ASN 22 9.240 -0.219 2.066 170 HD21 ASN 22 1HD2 ASN 22 9.415 -0.851 4.221 171 HD22 ASN 22 2HD2 ASN 22 10.824 -1.624 4.826 172 H VAL 23 HN VAL 23 6.971 -0.876 2.250 173 HA VAL 23 HA VAL 23 6.634 -2.274 4.641 174 HB VAL 23 HB VAL 23 4.713 -0.493 3.106 175 HG11 VAL 23 1HG1 VAL 23 4.441 -1.580 5.911 176 HG12 VAL 23 2HG1 VAL 23 3.383 -1.945 4.544 177 HG13 VAL 23 3HG1 VAL 23 3.444 -0.309 5.208 178 HG21 VAL 23 1HG2 VAL 23 5.299 1.129 4.858 179 HG22 VAL 23 2HG2 VAL 23 6.694 0.623 3.903 180 HG23 VAL 23 3HG2 VAL 23 6.448 -0.032 5.521 181 H CYS 24 HN CYS 24 4.709 -2.416 1.674 182 HA CYS 24 HA CYS 24 3.031 -4.445 2.526 183 HB2 CYS 24 2HB CYS 24 3.875 -3.537 -0.197 184 HB3 CYS 24 1HB CYS 24 2.599 -4.720 0.020 185 H ARG 25 HN ARG 25 6.126 -4.671 0.837 186 HA ARG 25 HA ARG 25 6.045 -7.432 0.324 187 HB2 ARG 25 2HB ARG 25 7.530 -5.748 -0.743 188 HB3 ARG 25 1HB ARG 25 8.436 -5.661 0.753 189 HG2 ARG 25 2HG ARG 25 9.117 -7.970 0.503 190 HG3 ARG 25 1HG ARG 25 8.137 -8.110 -0.964 191 HD2 ARG 25 2HD ARG 25 10.504 -6.286 -0.541 192 HD3 ARG 25 1HD ARG 25 10.421 -7.706 -1.591 193 HE ARG 25 HE ARG 25 8.425 -6.227 -2.531 194 HH11 ARG 25 1HH1 ARG 25 11.833 -5.385 -1.937 195 HH12 ARG 25 2HH1 ARG 25 11.864 -4.131 -3.077 196 HH21 ARG 25 1HH2 ARG 25 8.490 -4.494 -4.124 197 HH22 ARG 25 2HH2 ARG 25 9.930 -3.606 -4.327 198 H THR 26 HN THR 26 7.377 -5.555 3.056 199 HA THR 26 HA THR 26 8.426 -7.910 4.248 200 HB THR 26 HB THR 26 9.434 -5.627 4.631 201 HG1 THR 26 1HG THR 26 8.679 -7.135 6.930 202 HG21 THR 26 1HG2 THR 26 7.084 -5.257 6.505 203 HG22 THR 26 2HG2 THR 26 7.367 -4.353 5.022 204 HG23 THR 26 3HG2 THR 26 8.476 -4.179 6.381 205 H GLU 27 HN GLU 27 5.378 -6.241 4.424 206 HA GLU 27 HA GLU 27 4.505 -7.635 6.763 207 HB2 GLU 27 2HB GLU 27 2.984 -5.997 4.731 208 HB3 GLU 27 1HB GLU 27 2.255 -6.691 6.176 209 HG2 GLU 27 2HG GLU 27 4.519 -4.718 6.159 210 HG3 GLU 27 1HG GLU 27 2.823 -4.306 6.378 211 H GLY 28 HN GLY 28 4.934 -8.588 3.593 212 HA2 GLY 28 2HA GLY 28 4.755 -10.936 3.117 213 HA3 GLY 28 1HA GLY 28 3.353 -11.003 4.167 214 H PHE 29 HN PHE 29 3.418 -8.343 2.044 215 HA PHE 29 HA PHE 29 1.351 -9.632 0.457 216 HB2 PHE 29 2HB PHE 29 1.985 -6.709 0.899 217 HB3 PHE 29 1HB PHE 29 0.694 -7.302 -0.142 218 HD1 PHE 29 1HD PHE 29 -0.981 -8.907 0.977 219 HD2 PHE 29 2HD PHE 29 1.508 -6.223 3.113 220 HE1 PHE 29 1HE PHE 29 -2.518 -9.017 2.863 221 HE2 PHE 29 2HE PHE 29 -0.025 -6.318 5.039 222 HZ PHE 29 HZ PHE 29 -2.051 -7.716 4.923 223 HA PRO 30 HA PRO 30 3.949 -9.803 -3.059 224 HB2 PRO 30 2HB PRO 30 2.145 -9.478 -5.089 225 HB3 PRO 30 1HB PRO 30 2.331 -10.968 -4.163 226 HG2 PRO 30 2HG PRO 30 0.290 -8.815 -3.890 227 HG3 PRO 30 1HG PRO 30 0.095 -10.569 -3.746 228 HD2 PRO 30 2HD PRO 30 0.238 -8.912 -1.588 229 HD3 PRO 30 1HD PRO 30 0.797 -10.585 -1.548 230 H GLY 31 HN GLY 31 1.931 -6.959 -2.716 231 HA2 GLY 31 2HA GLY 31 4.019 -5.249 -3.499 232 HA3 GLY 31 1HA GLY 31 2.866 -5.419 -4.817 233 H GLY 32 HN GLY 32 3.095 -2.975 -3.932 234 HA2 GLY 32 2HA GLY 32 0.609 -2.555 -2.479 235 HA3 GLY 32 1HA GLY 32 2.075 -1.718 -1.948 236 H ARG 33 HN ARG 33 -0.426 -0.655 -3.080 237 HA ARG 33 HA ARG 33 0.748 0.801 -5.354 238 HB2 ARG 33 2HB ARG 33 -2.107 -0.191 -5.199 239 HB3 ARG 33 1HB ARG 33 -1.414 0.766 -6.493 240 HG2 ARG 33 2HG ARG 33 0.034 -1.102 -7.103 241 HG3 ARG 33 1HG ARG 33 -0.634 -2.054 -5.776 242 HD2 ARG 33 2HD ARG 33 -2.885 -1.799 -6.805 243 HD3 ARG 33 1HD ARG 33 -2.124 -0.993 -8.175 244 HE ARG 33 HE ARG 33 -1.038 -3.572 -7.548 245 HH11 ARG 33 1HH1 ARG 33 -3.491 -1.853 -9.431 246 HH12 ARG 33 2HH1 ARG 33 -3.727 -3.100 -10.555 247 HH21 ARG 33 1HH2 ARG 33 -1.377 -5.314 -9.065 248 HH22 ARG 33 2HH2 ARG 33 -2.513 -5.148 -10.327 249 H CYS 34 HN CYS 34 -0.224 2.917 -5.626 250 HA CYS 34 HA CYS 34 -1.162 4.111 -3.172 251 HB2 CYS 34 2HB CYS 34 -0.833 5.275 -5.956 252 HB3 CYS 34 1HB CYS 34 -1.124 6.197 -4.484 253 H ARG 35 HN ARG 35 -3.289 5.092 -2.990 254 HA ARG 35 HA ARG 35 -5.112 4.028 -5.014 255 HB2 ARG 35 2HB ARG 35 -5.094 2.548 -3.093 256 HB3 ARG 35 1HB ARG 35 -5.548 3.882 -2.051 257 HG2 ARG 35 2HG ARG 35 -7.684 4.064 -3.211 258 HG3 ARG 35 1HG ARG 35 -7.207 2.730 -4.268 259 HD2 ARG 35 2HD ARG 35 -7.027 1.245 -2.367 260 HD3 ARG 35 1HD ARG 35 -7.425 2.568 -1.274 261 HE ARG 35 HE ARG 35 -9.390 2.038 -3.304 262 HH11 ARG 35 1HH1 ARG 35 -8.299 1.171 -0.060 263 HH12 ARG 35 2HH1 ARG 35 -9.861 0.739 0.478 264 HH21 ARG 35 1HH2 ARG 35 -11.462 1.473 -2.574 265 HH22 ARG 35 2HH2 ARG 35 -11.710 0.922 -0.958 266 H GLY 36 HN GLY 36 -5.721 5.986 -2.058 267 HA2 GLY 36 2HA GLY 36 -7.608 7.490 -3.642 268 HA3 GLY 36 1HA GLY 36 -7.425 7.550 -1.904 269 H PHE 37 HN PHE 37 -7.852 9.794 -2.777 270 HA PHE 37 HA PHE 37 -5.911 11.389 -4.014 271 HB2 PHE 37 2HB PHE 37 -8.340 11.926 -3.788 272 HB3 PHE 37 1HB PHE 37 -8.087 12.224 -2.078 273 HD1 PHE 37 1HD PHE 37 -7.636 13.495 -5.459 274 HD2 PHE 37 2HD PHE 37 -6.906 14.252 -1.333 275 HE1 PHE 37 1HE PHE 37 -7.135 15.848 -5.980 276 HE2 PHE 37 2HE PHE 37 -6.401 16.598 -1.852 277 HZ PHE 37 HZ PHE 37 -6.513 17.401 -4.172 278 H ARG 38 HN ARG 38 -6.366 10.452 -0.646 279 HA ARG 38 HA ARG 38 -4.506 12.401 0.321 280 HB2 ARG 38 2HB ARG 38 -5.782 10.044 1.683 281 HB3 ARG 38 1HB ARG 38 -4.594 11.057 2.482 282 HG2 ARG 38 2HG ARG 38 -6.025 13.015 2.122 283 HG3 ARG 38 1HG ARG 38 -7.231 11.982 1.360 284 HD2 ARG 38 2HD ARG 38 -7.612 10.809 3.409 285 HD3 ARG 38 1HD ARG 38 -6.254 11.611 4.195 286 HE ARG 38 HE ARG 38 -8.063 13.510 3.222 287 HH11 ARG 38 1HH1 ARG 38 -7.786 11.171 5.890 288 HH12 ARG 38 2HH1 ARG 38 -8.825 12.038 6.917 289 HH21 ARG 38 1HH2 ARG 38 -9.442 14.706 4.708 290 HH22 ARG 38 2HH2 ARG 38 -9.760 14.057 6.258 291 H ARG 39 HN ARG 39 -4.040 9.759 -1.440 292 HA ARG 39 HA ARG 39 -2.192 8.720 -2.208 293 HB2 ARG 39 2HB ARG 39 -0.655 10.735 -0.569 294 HB3 ARG 39 1HB ARG 39 -0.008 9.751 -1.869 295 HG2 ARG 39 2HG ARG 39 -1.391 10.904 -3.475 296 HG3 ARG 39 1HG ARG 39 -2.158 11.834 -2.186 297 HD2 ARG 39 2HD ARG 39 0.747 11.910 -2.982 298 HD3 ARG 39 1HD ARG 39 -0.451 13.173 -3.274 299 HE ARG 39 HE ARG 39 -0.220 12.520 -0.509 300 HH11 ARG 39 1HH1 ARG 39 1.229 14.483 -3.081 301 HH12 ARG 39 2HH1 ARG 39 1.996 15.548 -2.022 302 HH21 ARG 39 1HH2 ARG 39 0.837 14.006 0.956 303 HH22 ARG 39 2HH2 ARG 39 1.804 15.249 0.323 304 H ARG 40 HN ARG 40 -3.379 7.414 -0.186 305 HA ARG 40 HA ARG 40 -1.304 6.574 1.658 306 HB2 ARG 40 2HB ARG 40 -4.140 5.668 1.215 307 HB3 ARG 40 1HB ARG 40 -3.041 4.834 2.290 308 HG2 ARG 40 2HG ARG 40 -2.872 6.863 3.658 309 HG3 ARG 40 1HG ARG 40 -4.023 7.667 2.580 310 HD2 ARG 40 2HD ARG 40 -5.747 6.140 3.125 311 HD3 ARG 40 1HD ARG 40 -4.621 5.048 3.921 312 HE ARG 40 HE ARG 40 -4.883 7.677 5.081 313 HH11 ARG 40 1HH1 ARG 40 -5.888 4.261 5.156 314 HH12 ARG 40 2HH1 ARG 40 -6.512 4.336 6.737 315 HH21 ARG 40 1HH2 ARG 40 -5.731 7.741 7.305 316 HH22 ARG 40 2HH2 ARG 40 -6.400 6.323 7.975 317 H CYS 41 HN CYS 41 -0.596 4.407 1.741 318 HA CYS 41 HA CYS 41 -0.412 3.125 -0.856 319 HB2 CYS 41 2HB CYS 41 1.715 3.474 0.257 320 HB3 CYS 41 1HB CYS 41 1.104 2.767 1.745 321 H PHE 42 HN PHE 42 -1.388 1.267 -1.233 322 HA PHE 42 HA PHE 42 -2.563 -0.147 1.013 323 HB2 PHE 42 2HB PHE 42 -3.832 0.492 -1.633 324 HB3 PHE 42 1HB PHE 42 -4.336 -0.871 -0.643 325 HD1 PHE 42 1HD PHE 42 -4.040 2.808 -0.689 326 HD2 PHE 42 2HD PHE 42 -5.771 -0.579 1.178 327 HE1 PHE 42 1HE PHE 42 -5.561 4.284 0.566 328 HE2 PHE 42 2HE PHE 42 -7.285 0.883 2.451 329 HZ PHE 42 HZ PHE 42 -7.183 3.320 2.143 330 H CYS 43 HN CYS 43 -1.807 -1.979 1.197 331 HA CYS 43 HA CYS 43 -0.130 -3.255 -0.678 332 HB2 CYS 43 2HB CYS 43 -1.455 -4.280 1.830 333 HB3 CYS 43 1HB CYS 43 -0.185 -5.117 0.941 334 H THR 44 HN THR 44 -0.730 -4.400 -2.333 335 HA THR 44 HA THR 44 -3.524 -5.015 -2.690 336 HB THR 44 HB THR 44 -1.204 -5.458 -4.585 337 HG1 THR 44 1HG THR 44 -2.154 -3.183 -3.588 338 HG21 THR 44 1HG2 THR 44 -3.342 -6.579 -5.173 339 HG22 THR 44 2HG2 THR 44 -2.964 -5.280 -6.304 340 HG23 THR 44 3HG2 THR 44 -4.175 -5.030 -5.048 341 H THR 45 HN THR 45 -4.118 -6.812 -1.734 342 HA THR 45 HA THR 45 -2.310 -9.099 -1.789 343 HB THR 45 HB THR 45 -2.861 -8.267 0.499 344 HG1 THR 45 1HG THR 45 -3.975 -10.504 1.058 345 HG21 THR 45 1HG2 THR 45 -5.128 -8.613 1.408 346 HG22 THR 45 2HG2 THR 45 -5.687 -9.089 -0.198 347 HG23 THR 45 3HG2 THR 45 -5.132 -7.442 0.088 348 H HIS 46 HN HIS 46 -3.794 -11.151 -1.505 349 HA HIS 46 HA HIS 46 -5.355 -11.180 -3.962 350 HB2 HIS 46 2HB HIS 46 -5.079 -13.662 -3.805 351 HB3 HIS 46 1HB HIS 46 -3.561 -12.780 -3.878 352 HD1 HIS 46 1HD HIS 46 -1.868 -13.298 -2.009 353 HD2 HIS 46 2HD HIS 46 -5.707 -14.622 -1.172 354 HE1 HIS 46 1HE HIS 46 -1.683 -14.608 0.106 355 H CYS 47 HN CYS 47 -7.466 -11.844 -4.079 356 HA CYS 47 HA CYS 47 -8.690 -12.855 -1.701 357 HB2 CYS 47 2HB CYS 47 -9.632 -10.435 -3.175 358 HB3 CYS 47 1HB CYS 47 -10.793 -11.459 -2.336 Start of MODEL 11 1 H1 ARG 1 1HT ARG 1 -9.139 -12.018 -7.005 2 H2 ARG 1 2HT ARG 1 -7.931 -12.104 -8.131 3 H3 ARG 1 3HT ARG 1 -9.521 -12.228 -8.645 4 HA ARG 1 HA ARG 1 -8.454 -10.104 -9.164 5 HB2 ARG 1 2HB ARG 1 -10.228 -8.586 -8.370 6 HB3 ARG 1 1HB ARG 1 -10.923 -10.097 -8.904 7 HG2 ARG 1 2HG ARG 1 -10.411 -9.480 -5.997 8 HG3 ARG 1 1HG ARG 1 -11.902 -9.032 -6.817 9 HD2 ARG 1 2HD ARG 1 -12.348 -11.374 -7.308 10 HD3 ARG 1 1HD ARG 1 -10.824 -11.842 -6.561 11 HE ARG 1 HE ARG 1 -12.480 -10.363 -4.789 12 HH11 ARG 1 1HH1 ARG 1 -11.897 -13.624 -6.059 13 HH12 ARG 1 2HH1 ARG 1 -12.732 -14.409 -4.812 14 HH21 ARG 1 1HH2 ARG 1 -13.531 -11.437 -3.050 15 HH22 ARG 1 2HH2 ARG 1 -13.673 -13.141 -3.026 16 H THR 2 HN THR 2 -7.924 -7.888 -8.162 17 HA THR 2 HA THR 2 -6.187 -8.535 -5.951 18 HB THR 2 HB THR 2 -5.182 -7.384 -7.835 19 HG1 THR 2 1HG THR 2 -4.969 -5.375 -5.947 20 HG21 THR 2 1HG2 THR 2 -7.049 -5.995 -8.596 21 HG22 THR 2 2HG2 THR 2 -5.628 -4.998 -8.286 22 HG23 THR 2 3HG2 THR 2 -6.944 -5.045 -7.115 23 H CYS 3 HN CYS 3 -6.006 -7.224 -4.258 24 HA CYS 3 HA CYS 3 -8.353 -5.684 -3.415 25 HB2 CYS 3 2HB CYS 3 -7.279 -8.109 -1.951 26 HB3 CYS 3 1HB CYS 3 -8.385 -6.948 -1.208 27 H GLN 4 HN GLN 4 -7.858 -4.055 -2.039 28 HA GLN 4 HA GLN 4 -5.037 -3.802 -1.293 29 HB2 GLN 4 2HB GLN 4 -6.916 -1.746 -2.418 30 HB3 GLN 4 1HB GLN 4 -5.438 -1.292 -1.606 31 HG2 GLN 4 2HG GLN 4 -5.010 -1.219 -3.902 32 HG3 GLN 4 1HG GLN 4 -4.192 -2.656 -3.307 33 HE21 GLN 4 1HE2 GLN 4 -7.655 -2.433 -3.993 34 HE22 GLN 4 2HE2 GLN 4 -7.617 -3.486 -5.349 35 H SER 5 HN SER 5 -4.679 -3.538 0.776 36 HA SER 5 HA SER 5 -6.855 -2.520 2.479 37 HB2 SER 5 2HB SER 5 -6.423 -4.963 2.788 38 HB3 SER 5 1HB SER 5 -4.751 -4.598 3.189 39 HG SER 5 HG SER 5 -6.809 -3.360 4.645 40 H GLN 6 HN GLN 6 -6.337 -0.853 3.794 41 HA GLN 6 HA GLN 6 -4.251 0.890 3.331 42 HB2 GLN 6 2HB GLN 6 -6.270 1.574 4.405 43 HB3 GLN 6 1HB GLN 6 -5.986 0.489 5.755 44 HG2 GLN 6 2HG GLN 6 -5.602 2.772 6.443 45 HG3 GLN 6 1HG GLN 6 -4.073 1.903 6.435 46 HE21 GLN 6 1HE2 GLN 6 -2.493 2.557 5.060 47 HE22 GLN 6 2HE2 GLN 6 -2.577 3.979 4.104 48 H SER 7 HN SER 7 -2.183 0.845 3.781 49 HA SER 7 HA SER 7 -1.069 -1.085 5.606 50 HB2 SER 7 2HB SER 7 0.028 -0.383 3.425 51 HB3 SER 7 1HB SER 7 0.323 1.193 4.154 52 HG SER 7 HG SER 7 1.818 -0.899 4.265 53 H HIS 8 HN HIS 8 -0.870 -0.705 7.709 54 HA HIS 8 HA HIS 8 -1.697 1.816 8.805 55 HB2 HIS 8 2HB HIS 8 -0.592 -0.599 10.234 56 HB3 HIS 8 1HB HIS 8 -1.426 0.751 10.979 57 HD1 HIS 8 1HD HIS 8 -4.110 0.934 10.204 58 HD2 HIS 8 2HD HIS 8 -2.130 -2.665 9.564 59 HE1 HIS 8 1HE HIS 8 -5.901 -0.791 9.928 60 H ARG 9 HN ARG 9 1.260 -0.054 8.672 61 HA ARG 9 HA ARG 9 2.618 1.947 10.264 62 HB2 ARG 9 2HB ARG 9 4.539 0.403 10.266 63 HB3 ARG 9 1HB ARG 9 3.062 -0.316 10.872 64 HG2 ARG 9 2HG ARG 9 2.755 -1.493 8.765 65 HG3 ARG 9 1HG ARG 9 4.224 -0.745 8.133 66 HD2 ARG 9 2HD ARG 9 4.637 -3.021 8.945 67 HD3 ARG 9 1HD ARG 9 5.546 -1.822 9.869 68 HE ARG 9 HE ARG 9 2.979 -2.586 10.958 69 HH11 ARG 9 1HH1 ARG 9 6.472 -3.247 10.996 70 HH12 ARG 9 2HH1 ARG 9 6.446 -3.979 12.529 71 HH21 ARG 9 1HH2 ARG 9 2.984 -3.579 13.089 72 HH22 ARG 9 2HH2 ARG 9 4.448 -4.178 13.722 73 H PHE 10 HN PHE 10 1.822 2.357 7.355 74 HA PHE 10 HA PHE 10 4.455 2.916 6.258 75 HB2 PHE 10 2HB PHE 10 2.789 1.931 4.721 76 HB3 PHE 10 1HB PHE 10 1.725 3.307 5.001 77 HD1 PHE 10 1HD PHE 10 4.968 2.287 3.576 78 HD2 PHE 10 2HD PHE 10 2.035 5.354 3.830 79 HE1 PHE 10 1HE PHE 10 6.095 3.511 1.783 80 HE2 PHE 10 2HE PHE 10 3.153 6.579 2.034 81 HZ PHE 10 HZ PHE 10 5.188 5.669 1.001 82 H ARG 11 HN ARG 11 5.214 4.929 5.918 83 HA ARG 11 HA ARG 11 3.698 7.145 7.056 84 HB2 ARG 11 2HB ARG 11 5.903 7.996 7.914 85 HB3 ARG 11 1HB ARG 11 5.273 6.571 8.727 86 HG2 ARG 11 2HG ARG 11 6.805 5.158 7.456 87 HG3 ARG 11 1HG ARG 11 7.422 6.581 6.614 88 HD2 ARG 11 2HD ARG 11 8.206 7.504 8.693 89 HD3 ARG 11 1HD ARG 11 7.493 6.148 9.572 90 HE ARG 11 HE ARG 11 9.081 4.763 8.119 91 HH11 ARG 11 1HH1 ARG 11 9.899 8.011 9.347 92 HH12 ARG 11 2HH1 ARG 11 11.550 7.676 9.462 93 HH21 ARG 11 1HH2 ARG 11 11.383 4.345 8.311 94 HH22 ARG 11 2HH2 ARG 11 12.405 5.591 8.877 95 H GLY 12 HN GLY 12 3.434 8.721 5.615 96 HA2 GLY 12 2HA GLY 12 4.499 10.423 4.287 97 HA3 GLY 12 1HA GLY 12 5.589 9.184 3.676 98 HA PRO 13 HA PRO 13 2.163 9.471 0.661 99 HB2 PRO 13 2HB PRO 13 3.575 10.255 -1.496 100 HB3 PRO 13 1HB PRO 13 2.978 11.403 -0.295 101 HG2 PRO 13 2HG PRO 13 5.732 10.422 -0.758 102 HG3 PRO 13 1HG PRO 13 5.188 11.957 -0.068 103 HD2 PRO 13 2HD PRO 13 6.115 9.666 1.341 104 HD3 PRO 13 1HD PRO 13 5.406 11.135 2.036 105 H CYS 14 HN CYS 14 1.546 7.757 -0.461 106 HA CYS 14 HA CYS 14 3.088 5.397 -0.710 107 HB2 CYS 14 2HB CYS 14 1.184 4.528 -1.976 108 HB3 CYS 14 1HB CYS 14 0.666 5.365 -0.514 109 H LEU 15 HN LEU 15 3.160 8.156 -2.554 110 HA LEU 15 HA LEU 15 3.359 7.212 -5.185 111 HB2 LEU 15 2HB LEU 15 4.508 9.666 -3.895 112 HB3 LEU 15 1HB LEU 15 4.561 9.359 -5.621 113 HG LEU 15 HG LEU 15 2.045 9.675 -3.984 114 HD11 LEU 15 1HD1 LEU 15 3.273 11.767 -4.180 115 HD12 LEU 15 2HD1 LEU 15 1.806 11.803 -5.158 116 HD13 LEU 15 3HD1 LEU 15 3.372 11.559 -5.928 117 HD21 LEU 15 1HD2 LEU 15 2.472 9.376 -6.958 118 HD22 LEU 15 2HD2 LEU 15 0.942 9.775 -6.187 119 HD23 LEU 15 3HD2 LEU 15 1.688 8.208 -5.890 120 H ARG 16 HN ARG 16 5.608 7.173 -2.574 121 HA ARG 16 HA ARG 16 7.751 6.423 -4.357 122 HB2 ARG 16 2HB ARG 16 7.663 6.225 -1.328 123 HB3 ARG 16 1HB ARG 16 9.088 6.028 -2.334 124 HG2 ARG 16 2HG ARG 16 7.566 8.547 -1.720 125 HG3 ARG 16 1HG ARG 16 9.255 8.174 -1.383 126 HD2 ARG 16 2HD ARG 16 7.990 8.690 -4.071 127 HD3 ARG 16 1HD ARG 16 9.150 9.713 -3.234 128 HE ARG 16 HE ARG 16 10.640 7.618 -3.498 129 HH11 ARG 16 1HH1 ARG 16 8.367 8.938 -5.886 130 HH12 ARG 16 2HH1 ARG 16 9.159 8.292 -7.231 131 HH21 ARG 16 1HH2 ARG 16 11.763 6.734 -5.384 132 HH22 ARG 16 2HH2 ARG 16 11.151 7.030 -6.943 133 H ARG 17 HN ARG 17 7.075 4.737 -5.404 134 HA ARG 17 HA ARG 17 5.325 2.781 -4.547 135 HB2 ARG 17 2HB ARG 17 5.838 3.384 -6.904 136 HB3 ARG 17 1HB ARG 17 7.356 2.517 -6.757 137 HG2 ARG 17 2HG ARG 17 5.621 1.200 -7.903 138 HG3 ARG 17 1HG ARG 17 6.170 0.431 -6.412 139 HD2 ARG 17 2HD ARG 17 3.678 0.406 -6.754 140 HD3 ARG 17 1HD ARG 17 4.212 1.114 -5.234 141 HE ARG 17 HE ARG 17 3.673 2.859 -7.518 142 HH11 ARG 17 1HH1 ARG 17 2.634 1.657 -4.346 143 HH12 ARG 17 2HH1 ARG 17 1.711 3.041 -3.973 144 HH21 ARG 17 1HH2 ARG 17 2.387 4.707 -7.020 145 HH22 ARG 17 2HH2 ARG 17 1.516 4.835 -5.564 146 H SER 18 HN SER 18 8.824 2.742 -4.638 147 HA SER 18 HA SER 18 9.109 0.040 -3.933 148 HB2 SER 18 2HB SER 18 11.068 2.300 -3.529 149 HB3 SER 18 1HB SER 18 11.445 0.575 -3.626 150 HG SER 18 HG SER 18 10.738 2.378 -5.624 151 H ASN 19 HN ASN 19 8.862 2.999 -2.018 152 HA ASN 19 HA ASN 19 9.529 1.759 0.472 153 HB2 ASN 19 2HB ASN 19 8.107 4.358 -0.140 154 HB3 ASN 19 1HB ASN 19 8.487 3.827 1.492 155 HD21 ASN 19 1HD2 ASN 19 10.584 3.892 2.193 156 HD22 ASN 19 2HD2 ASN 19 11.842 4.715 1.364 157 H CYS 20 HN CYS 20 6.543 2.640 -1.113 158 HA CYS 20 HA CYS 20 4.701 1.796 0.827 159 HB2 CYS 20 2HB CYS 20 4.141 3.222 -1.103 160 HB3 CYS 20 1HB CYS 20 4.505 1.913 -2.202 161 H ALA 21 HN ALA 21 6.063 0.088 -1.994 162 HA ALA 21 HA ALA 21 4.793 -2.369 -1.480 163 HB1 ALA 21 1HB ALA 21 7.324 -1.853 -3.039 164 HB2 ALA 21 2HB ALA 21 5.688 -1.762 -3.689 165 HB3 ALA 21 3HB ALA 21 6.326 -3.305 -3.119 166 H ASN 22 HN ASN 22 7.964 -1.072 -0.546 167 HA ASN 22 HA ASN 22 9.021 -3.413 0.521 168 HB2 ASN 22 2HB ASN 22 10.475 -1.530 0.190 169 HB3 ASN 22 1HB ASN 22 9.541 -0.544 1.303 170 HD21 ASN 22 1HD2 ASN 22 10.024 -0.601 3.445 171 HD22 ASN 22 2HD2 ASN 22 11.237 -1.615 4.131 172 H VAL 23 HN VAL 23 7.130 -0.917 2.174 173 HA VAL 23 HA VAL 23 7.205 -2.179 4.694 174 HB VAL 23 HB VAL 23 5.139 -0.244 3.569 175 HG11 VAL 23 1HG1 VAL 23 4.192 -1.496 5.456 176 HG12 VAL 23 2HG1 VAL 23 4.491 0.179 5.909 177 HG13 VAL 23 3HG1 VAL 23 5.599 -1.088 6.435 178 HG21 VAL 23 1HG2 VAL 23 7.367 0.714 3.677 179 HG22 VAL 23 2HG2 VAL 23 7.534 0.190 5.350 180 HG23 VAL 23 3HG2 VAL 23 6.353 1.428 4.935 181 H CYS 24 HN CYS 24 4.759 -2.228 2.104 182 HA CYS 24 HA CYS 24 3.115 -4.037 3.454 183 HB2 CYS 24 2HB CYS 24 3.335 -3.291 0.560 184 HB3 CYS 24 1HB CYS 24 2.117 -4.424 1.132 185 H ARG 25 HN ARG 25 5.825 -4.611 1.301 186 HA ARG 25 HA ARG 25 5.346 -7.378 1.056 187 HB2 ARG 25 2HB ARG 25 6.673 -6.106 -0.568 188 HB3 ARG 25 1HB ARG 25 7.912 -5.850 0.647 189 HG2 ARG 25 2HG ARG 25 8.472 -8.165 0.668 190 HG3 ARG 25 1HG ARG 25 7.067 -8.556 -0.330 191 HD2 ARG 25 2HD ARG 25 9.368 -6.814 -1.189 192 HD3 ARG 25 1HD ARG 25 9.161 -8.511 -1.632 193 HE ARG 25 HE ARG 25 6.926 -7.654 -2.572 194 HH11 ARG 25 1HH1 ARG 25 9.893 -5.729 -2.605 195 HH12 ARG 25 2HH1 ARG 25 9.537 -4.947 -4.065 196 HH21 ARG 25 1HH2 ARG 25 6.443 -6.607 -4.527 197 HH22 ARG 25 2HH2 ARG 25 7.501 -5.454 -5.219 198 H THR 26 HN THR 26 7.348 -5.492 3.327 199 HA THR 26 HA THR 26 8.373 -7.853 4.532 200 HB THR 26 HB THR 26 9.471 -5.531 4.783 201 HG1 THR 26 1HG THR 26 8.957 -6.950 7.196 202 HG21 THR 26 1HG2 THR 26 8.705 -4.100 6.628 203 HG22 THR 26 2HG2 THR 26 7.328 -5.172 6.882 204 HG23 THR 26 3HG2 THR 26 7.462 -4.253 5.385 205 H GLU 27 HN GLU 27 5.436 -6.047 4.820 206 HA GLU 27 HA GLU 27 4.529 -7.492 7.114 207 HB2 GLU 27 2HB GLU 27 3.203 -5.578 5.226 208 HB3 GLU 27 1HB GLU 27 2.299 -6.428 6.475 209 HG2 GLU 27 2HG GLU 27 4.661 -4.628 6.948 210 HG3 GLU 27 1HG GLU 27 2.967 -4.188 7.182 211 H GLY 28 HN GLY 28 5.069 -8.638 4.118 212 HA2 GLY 28 2HA GLY 28 4.605 -10.907 3.660 213 HA3 GLY 28 1HA GLY 28 3.144 -10.786 4.624 214 H PHE 29 HN PHE 29 3.415 -8.192 2.519 215 HA PHE 29 HA PHE 29 1.412 -9.424 0.808 216 HB2 PHE 29 2HB PHE 29 2.179 -6.555 1.278 217 HB3 PHE 29 1HB PHE 29 1.036 -7.045 0.029 218 HD1 PHE 29 1HD PHE 29 1.634 -6.811 3.636 219 HD2 PHE 29 2HD PHE 29 -1.113 -7.794 0.573 220 HE1 PHE 29 1HE PHE 29 -0.170 -6.845 5.291 221 HE2 PHE 29 2HE PHE 29 -2.941 -7.839 2.209 222 HZ PHE 29 HZ PHE 29 -2.481 -7.359 4.580 223 HA PRO 30 HA PRO 30 4.088 -9.576 -2.824 224 HB2 PRO 30 2HB PRO 30 1.826 -8.243 -4.240 225 HB3 PRO 30 1HB PRO 30 2.694 -9.720 -4.670 226 HG2 PRO 30 2HG PRO 30 0.242 -9.828 -3.642 227 HG3 PRO 30 1HG PRO 30 1.476 -11.023 -3.195 228 HD2 PRO 30 2HD PRO 30 0.428 -8.704 -1.641 229 HD3 PRO 30 1HD PRO 30 0.955 -10.303 -1.078 230 H GLY 31 HN GLY 31 2.071 -6.635 -2.451 231 HA2 GLY 31 2HA GLY 31 4.343 -4.924 -2.440 232 HA3 GLY 31 1HA GLY 31 3.492 -4.866 -3.979 233 H GLY 32 HN GLY 32 3.185 -2.600 -3.334 234 HA2 GLY 32 2HA GLY 32 0.656 -2.313 -1.932 235 HA3 GLY 32 1HA GLY 32 2.029 -1.397 -1.312 236 H ARG 33 HN ARG 33 -0.535 -0.613 -2.664 237 HA ARG 33 HA ARG 33 0.686 1.083 -4.713 238 HB2 ARG 33 2HB ARG 33 -1.198 0.810 -6.210 239 HB3 ARG 33 1HB ARG 33 -0.537 -0.771 -5.843 240 HG2 ARG 33 2HG ARG 33 -2.356 -1.183 -4.285 241 HG3 ARG 33 1HG ARG 33 -2.999 0.430 -4.597 242 HD2 ARG 33 2HD ARG 33 -4.242 -1.173 -5.910 243 HD3 ARG 33 1HD ARG 33 -3.258 -0.183 -6.984 244 HE ARG 33 HE ARG 33 -1.832 -2.471 -6.283 245 HH11 ARG 33 1HH1 ARG 33 -4.695 -1.593 -8.223 246 HH12 ARG 33 2HH1 ARG 33 -4.512 -2.882 -9.311 247 HH21 ARG 33 1HH2 ARG 33 -1.597 -4.229 -7.833 248 HH22 ARG 33 2HH2 ARG 33 -2.715 -4.393 -9.091 249 H CYS 34 HN CYS 34 -1.132 2.807 -5.328 250 HA CYS 34 HA CYS 34 -1.860 4.019 -2.794 251 HB2 CYS 34 2HB CYS 34 -1.895 5.085 -5.620 252 HB3 CYS 34 1HB CYS 34 -2.349 6.011 -4.193 253 H ARG 35 HN ARG 35 -3.932 4.585 -2.267 254 HA ARG 35 HA ARG 35 -6.098 4.057 -4.095 255 HB2 ARG 35 2HB ARG 35 -5.748 1.847 -2.963 256 HB3 ARG 35 1HB ARG 35 -6.017 2.633 -1.416 257 HG2 ARG 35 2HG ARG 35 -8.298 3.193 -2.087 258 HG3 ARG 35 1HG ARG 35 -8.034 2.422 -3.648 259 HD2 ARG 35 2HD ARG 35 -7.579 0.293 -2.470 260 HD3 ARG 35 1HD ARG 35 -7.974 1.085 -0.946 261 HE ARG 35 HE ARG 35 -10.003 1.217 -2.998 262 HH11 ARG 35 1HH1 ARG 35 -8.869 -0.563 -0.140 263 HH12 ARG 35 2HH1 ARG 35 -10.372 -1.285 0.163 264 HH21 ARG 35 1HH2 ARG 35 -12.035 0.189 -2.585 265 HH22 ARG 35 2HH2 ARG 35 -12.228 -0.866 -1.256 266 H GLY 36 HN GLY 36 -5.112 4.843 -0.804 267 HA2 GLY 36 2HA GLY 36 -7.273 6.533 -0.216 268 HA3 GLY 36 1HA GLY 36 -5.698 6.546 0.574 269 H PHE 37 HN PHE 37 -7.690 8.532 -0.780 270 HA PHE 37 HA PHE 37 -6.412 9.730 -2.963 271 HB2 PHE 37 2HB PHE 37 -8.784 10.042 -2.464 272 HB3 PHE 37 1HB PHE 37 -8.375 10.932 -1.004 273 HD1 PHE 37 1HD PHE 37 -8.059 13.243 -1.085 274 HD2 PHE 37 2HD PHE 37 -8.019 10.987 -4.689 275 HE1 PHE 37 1HE PHE 37 -7.995 15.321 -2.380 276 HE2 PHE 37 2HE PHE 37 -7.962 13.060 -5.988 277 HZ PHE 37 HZ PHE 37 -7.948 15.239 -4.831 278 H ARG 38 HN ARG 38 -5.815 10.027 0.412 279 HA ARG 38 HA ARG 38 -4.346 12.507 0.188 280 HB2 ARG 38 2HB ARG 38 -4.504 10.563 2.503 281 HB3 ARG 38 1HB ARG 38 -3.831 12.182 2.562 282 HG2 ARG 38 2HG ARG 38 -6.016 13.133 2.077 283 HG3 ARG 38 1HG ARG 38 -6.713 11.517 1.980 284 HD2 ARG 38 2HD ARG 38 -7.214 12.428 4.132 285 HD3 ARG 38 1HD ARG 38 -6.017 11.157 4.345 286 HE ARG 38 HE ARG 38 -4.565 13.450 4.105 287 HH11 ARG 38 1HH1 ARG 38 -7.115 12.373 6.315 288 HH12 ARG 38 2HH1 ARG 38 -6.607 13.353 7.607 289 HH21 ARG 38 1HH2 ARG 38 -3.859 14.795 5.902 290 HH22 ARG 38 2HH2 ARG 38 -4.715 14.749 7.365 291 H ARG 39 HN ARG 39 -3.657 9.853 -1.188 292 HA ARG 39 HA ARG 39 -1.848 8.818 -2.004 293 HB2 ARG 39 2HB ARG 39 -0.264 11.000 -0.616 294 HB3 ARG 39 1HB ARG 39 0.421 9.823 -1.718 295 HG2 ARG 39 2HG ARG 39 -1.628 11.923 -2.421 296 HG3 ARG 39 1HG ARG 39 0.096 11.987 -2.778 297 HD2 ARG 39 2HD ARG 39 -0.198 9.885 -4.119 298 HD3 ARG 39 1HD ARG 39 -1.937 10.061 -3.874 299 HE ARG 39 HE ARG 39 -0.949 12.470 -4.854 300 HH11 ARG 39 1HH1 ARG 39 -1.550 9.194 -6.086 301 HH12 ARG 39 2HH1 ARG 39 -1.616 9.723 -7.713 302 HH21 ARG 39 1HH2 ARG 39 -1.080 13.116 -7.048 303 HH22 ARG 39 2HH2 ARG 39 -1.366 11.950 -8.263 304 H ARG 40 HN ARG 40 -2.954 7.658 0.043 305 HA ARG 40 HA ARG 40 -0.757 6.930 1.817 306 HB2 ARG 40 2HB ARG 40 -3.732 6.626 2.180 307 HB3 ARG 40 1HB ARG 40 -2.563 5.849 3.244 308 HG2 ARG 40 2HG ARG 40 -1.627 8.042 3.814 309 HG3 ARG 40 1HG ARG 40 -2.811 8.815 2.763 310 HD2 ARG 40 2HD ARG 40 -4.612 7.999 4.150 311 HD3 ARG 40 1HD ARG 40 -3.469 7.117 5.166 312 HE ARG 40 HE ARG 40 -2.594 9.668 5.271 313 HH11 ARG 40 1HH1 ARG 40 -5.760 8.201 5.843 314 HH12 ARG 40 2HH1 ARG 40 -6.216 9.273 7.079 315 HH21 ARG 40 1HH2 ARG 40 -3.219 11.169 7.030 316 HH22 ARG 40 2HH2 ARG 40 -4.731 10.979 7.787 317 H CYS 41 HN CYS 41 -0.266 4.783 2.249 318 HA CYS 41 HA CYS 41 -0.259 3.283 -0.215 319 HB2 CYS 41 2HB CYS 41 1.821 3.656 1.014 320 HB3 CYS 41 1HB CYS 41 1.160 2.828 2.410 321 H PHE 42 HN PHE 42 -1.368 1.546 -0.634 322 HA PHE 42 HA PHE 42 -2.684 0.141 1.556 323 HB2 PHE 42 2HB PHE 42 -3.709 0.795 -1.202 324 HB3 PHE 42 1HB PHE 42 -4.314 -0.561 -0.260 325 HD1 PHE 42 1HD PHE 42 -3.573 3.042 0.488 326 HD2 PHE 42 2HD PHE 42 -6.349 -0.173 0.647 327 HE1 PHE 42 1HE PHE 42 -5.213 4.503 1.590 328 HE2 PHE 42 2HE PHE 42 -7.983 1.287 1.744 329 HZ PHE 42 HZ PHE 42 -7.416 3.622 2.222 330 H CYS 43 HN CYS 43 -2.043 -1.794 1.757 331 HA CYS 43 HA CYS 43 -0.093 -2.954 0.093 332 HB2 CYS 43 2HB CYS 43 -1.757 -4.145 2.310 333 HB3 CYS 43 1HB CYS 43 -0.323 -4.882 1.600 334 H THR 44 HN THR 44 -0.306 -4.293 -1.537 335 HA THR 44 HA THR 44 -2.960 -4.795 -2.555 336 HB THR 44 HB THR 44 -0.226 -5.237 -3.769 337 HG1 THR 44 1HG THR 44 -1.502 -3.025 -3.182 338 HG21 THR 44 1HG2 THR 44 -1.456 -5.216 -5.895 339 HG22 THR 44 2HG2 THR 44 -2.973 -5.048 -5.013 340 HG23 THR 44 3HG2 THR 44 -2.016 -6.520 -4.850 341 H THR 45 HN THR 45 -3.856 -6.738 -2.276 342 HA THR 45 HA THR 45 -2.146 -9.066 -2.023 343 HB THR 45 HB THR 45 -2.971 -8.446 0.240 344 HG1 THR 45 1HG THR 45 -2.870 -10.743 -0.593 345 HG21 THR 45 1HG2 THR 45 -5.348 -8.592 0.814 346 HG22 THR 45 2HG2 THR 45 -5.732 -8.897 -0.876 347 HG23 THR 45 3HG2 THR 45 -5.072 -7.331 -0.394 348 H HIS 46 HN HIS 46 -3.462 -11.014 -2.557 349 HA HIS 46 HA HIS 46 -5.237 -10.291 -4.769 350 HB2 HIS 46 2HB HIS 46 -3.392 -12.666 -4.501 351 HB3 HIS 46 1HB HIS 46 -4.534 -12.449 -5.818 352 HD1 HIS 46 1HD HIS 46 -1.071 -11.949 -5.097 353 HD2 HIS 46 2HD HIS 46 -3.970 -9.842 -7.199 354 HE1 HIS 46 1HE HIS 46 0.180 -10.375 -6.591 355 H CYS 47 HN CYS 47 -7.233 -10.870 -4.618 356 HA CYS 47 HA CYS 47 -7.979 -12.736 -2.580 357 HB2 CYS 47 2HB CYS 47 -9.605 -10.770 -4.176 358 HB3 CYS 47 1HB CYS 47 -10.308 -11.912 -3.037 Start of MODEL 12 1 H1 ARG 1 1HT ARG 1 -11.768 -10.399 -8.142 2 H2 ARG 1 2HT ARG 1 -10.899 -10.697 -6.718 3 H3 ARG 1 3HT ARG 1 -10.114 -10.718 -8.190 4 HA ARG 1 HA ARG 1 -10.523 -8.358 -8.492 5 HB2 ARG 1 2HB ARG 1 -11.437 -8.513 -5.604 6 HB3 ARG 1 1HB ARG 1 -11.329 -7.066 -6.589 7 HG2 ARG 1 2HG ARG 1 -13.157 -7.913 -7.997 8 HG3 ARG 1 1HG ARG 1 -13.263 -9.344 -6.969 9 HD2 ARG 1 2HD ARG 1 -13.682 -7.830 -5.027 10 HD3 ARG 1 1HD ARG 1 -13.758 -6.483 -6.159 11 HE ARG 1 HE ARG 1 -15.509 -8.516 -6.971 12 HH11 ARG 1 1HH1 ARG 1 -15.251 -5.927 -4.589 13 HH12 ARG 1 2HH1 ARG 1 -16.914 -5.901 -4.224 14 HH21 ARG 1 1HH2 ARG 1 -17.770 -8.460 -6.513 15 HH22 ARG 1 2HH2 ARG 1 -18.396 -7.351 -5.386 16 H THR 2 HN THR 2 -8.923 -6.844 -7.381 17 HA THR 2 HA THR 2 -7.007 -8.435 -5.896 18 HB THR 2 HB THR 2 -5.491 -6.476 -6.361 19 HG1 THR 2 1HG THR 2 -6.175 -5.262 -8.265 20 HG21 THR 2 1HG2 THR 2 -4.997 -7.224 -8.668 21 HG22 THR 2 2HG2 THR 2 -6.564 -8.033 -8.718 22 HG23 THR 2 3HG2 THR 2 -5.332 -8.578 -7.587 23 H CYS 3 HN CYS 3 -7.221 -8.275 -3.846 24 HA CYS 3 HA CYS 3 -8.748 -6.228 -2.588 25 HB2 CYS 3 2HB CYS 3 -7.055 -8.367 -1.340 26 HB3 CYS 3 1HB CYS 3 -8.350 -7.471 -0.558 27 H GLN 4 HN GLN 4 -7.977 -4.411 -2.011 28 HA GLN 4 HA GLN 4 -5.107 -4.154 -1.443 29 HB2 GLN 4 2HB GLN 4 -6.961 -2.100 -2.655 30 HB3 GLN 4 1HB GLN 4 -5.261 -1.850 -2.296 31 HG2 GLN 4 2HG GLN 4 -4.647 -3.574 -3.836 32 HG3 GLN 4 1HG GLN 4 -6.350 -3.868 -4.211 33 HE21 GLN 4 1HE2 GLN 4 -6.151 -3.384 -6.348 34 HE22 GLN 4 2HE2 GLN 4 -5.861 -1.790 -6.940 35 H SER 5 HN SER 5 -4.658 -3.733 0.513 36 HA SER 5 HA SER 5 -6.627 -2.389 2.224 37 HB2 SER 5 2HB SER 5 -4.544 -4.441 3.006 38 HB3 SER 5 1HB SER 5 -5.825 -3.774 4.020 39 HG SER 5 HG SER 5 -6.019 -5.935 2.820 40 H GLN 6 HN GLN 6 -5.841 -0.589 3.232 41 HA GLN 6 HA GLN 6 -3.338 0.445 2.374 42 HB2 GLN 6 2HB GLN 6 -3.859 2.395 3.741 43 HB3 GLN 6 1HB GLN 6 -5.217 1.929 2.733 44 HG2 GLN 6 2HG GLN 6 -6.218 0.813 4.710 45 HG3 GLN 6 1HG GLN 6 -4.900 1.463 5.685 46 HE21 GLN 6 1HE2 GLN 6 -7.759 2.162 3.922 47 HE22 GLN 6 2HE2 GLN 6 -7.978 3.778 4.494 48 H SER 7 HN SER 7 -1.437 0.533 3.292 49 HA SER 7 HA SER 7 -0.964 -1.088 5.573 50 HB2 SER 7 2HB SER 7 0.713 -1.012 3.806 51 HB3 SER 7 1HB SER 7 0.896 0.729 4.020 52 HG SER 7 HG SER 7 1.615 -1.370 5.787 53 H HIS 8 HN HIS 8 -1.220 -0.487 7.500 54 HA HIS 8 HA HIS 8 -1.772 2.172 8.359 55 HB2 HIS 8 2HB HIS 8 -2.761 0.110 9.339 56 HB3 HIS 8 1HB HIS 8 -1.148 -0.316 9.898 57 HD1 HIS 8 1HD HIS 8 -4.157 1.603 10.921 58 HD2 HIS 8 2HD HIS 8 -0.153 1.340 12.021 59 HE1 HIS 8 1HE HIS 8 -3.980 2.695 13.178 60 H ARG 9 HN ARG 9 1.013 0.081 8.289 61 HA ARG 9 HA ARG 9 2.453 1.798 10.141 62 HB2 ARG 9 2HB ARG 9 4.198 0.098 10.152 63 HB3 ARG 9 1HB ARG 9 2.628 -0.605 10.501 64 HG2 ARG 9 2HG ARG 9 2.488 -1.425 8.208 65 HG3 ARG 9 1HG ARG 9 4.064 -0.710 7.865 66 HD2 ARG 9 2HD ARG 9 4.404 -3.023 8.300 67 HD3 ARG 9 1HD ARG 9 5.009 -2.119 9.686 68 HE ARG 9 HE ARG 9 2.293 -3.139 9.872 69 HH11 ARG 9 1HH1 ARG 9 5.694 -3.563 10.780 70 HH12 ARG 9 2HH1 ARG 9 5.346 -4.713 11.988 71 HH21 ARG 9 1HH2 ARG 9 1.860 -4.718 11.502 72 HH22 ARG 9 2HH2 ARG 9 3.132 -5.385 12.411 73 H PHE 10 HN PHE 10 1.872 1.914 6.967 74 HA PHE 10 HA PHE 10 4.426 2.495 5.896 75 HB2 PHE 10 2HB PHE 10 2.543 1.905 4.453 76 HB3 PHE 10 1HB PHE 10 1.667 3.330 4.985 77 HD1 PHE 10 1HD PHE 10 1.619 5.074 3.502 78 HD2 PHE 10 2HD PHE 10 5.029 2.547 3.586 79 HE1 PHE 10 1HE PHE 10 2.633 6.379 1.703 80 HE2 PHE 10 2HE PHE 10 6.043 3.831 1.809 81 HZ PHE 10 HZ PHE 10 4.852 5.760 0.834 82 H ARG 11 HN ARG 11 5.461 4.453 5.632 83 HA ARG 11 HA ARG 11 4.524 6.571 7.453 84 HB2 ARG 11 2HB ARG 11 7.317 6.125 6.446 85 HB3 ARG 11 1HB ARG 11 6.802 7.124 7.794 86 HG2 ARG 11 2HG ARG 11 6.143 5.110 9.022 87 HG3 ARG 11 1HG ARG 11 6.675 4.147 7.637 88 HD2 ARG 11 2HD ARG 11 8.944 5.019 7.895 89 HD3 ARG 11 1HD ARG 11 8.420 5.960 9.292 90 HE ARG 11 HE ARG 11 7.715 3.369 9.793 91 HH11 ARG 11 1HH1 ARG 11 10.738 5.103 9.217 92 HH12 ARG 11 2HH1 ARG 11 11.677 4.062 10.188 93 HH21 ARG 11 1HH2 ARG 11 8.970 1.966 11.118 94 HH22 ARG 11 2HH2 ARG 11 10.642 2.227 11.321 95 H GLY 12 HN GLY 12 3.909 8.419 6.446 96 HA2 GLY 12 2HA GLY 12 4.240 10.266 5.116 97 HA3 GLY 12 1HA GLY 12 5.519 9.410 4.270 98 HA PRO 13 HA PRO 13 1.903 9.376 1.499 99 HB2 PRO 13 2HB PRO 13 2.872 10.773 -0.515 100 HB3 PRO 13 1HB PRO 13 2.306 11.569 0.960 101 HG2 PRO 13 2HG PRO 13 5.096 11.062 0.040 102 HG3 PRO 13 1HG PRO 13 4.449 12.439 0.945 103 HD2 PRO 13 2HD PRO 13 5.802 10.212 2.023 104 HD3 PRO 13 1HD PRO 13 4.888 11.428 2.934 105 H CYS 14 HN CYS 14 1.570 8.282 -0.422 106 HA CYS 14 HA CYS 14 3.235 6.049 -0.916 107 HB2 CYS 14 2HB CYS 14 0.762 6.016 -1.013 108 HB3 CYS 14 1HB CYS 14 0.810 7.042 -2.432 109 H LEU 15 HN LEU 15 3.914 9.066 -1.883 110 HA LEU 15 HA LEU 15 4.500 8.675 -4.657 111 HB2 LEU 15 2HB LEU 15 5.416 10.779 -2.696 112 HB3 LEU 15 1HB LEU 15 6.011 10.730 -4.338 113 HG LEU 15 HG LEU 15 3.630 11.023 -5.120 114 HD11 LEU 15 1HD1 LEU 15 2.488 10.267 -3.084 115 HD12 LEU 15 2HD1 LEU 15 1.971 11.869 -3.604 116 HD13 LEU 15 3HD1 LEU 15 3.083 11.707 -2.248 117 HD21 LEU 15 1HD2 LEU 15 4.805 13.192 -3.394 118 HD22 LEU 15 2HD2 LEU 15 3.578 13.421 -4.640 119 HD23 LEU 15 3HD2 LEU 15 5.193 12.870 -5.085 120 H ARG 16 HN ARG 16 5.935 7.724 -1.815 121 HA ARG 16 HA ARG 16 8.475 7.082 -3.071 122 HB2 ARG 16 2HB ARG 16 7.418 6.796 -0.263 123 HB3 ARG 16 1HB ARG 16 8.955 6.115 -0.769 124 HG2 ARG 16 2HG ARG 16 8.307 9.046 -0.994 125 HG3 ARG 16 1HG ARG 16 9.084 8.324 0.418 126 HD2 ARG 16 2HD ARG 16 10.142 8.219 -2.413 127 HD3 ARG 16 1HD ARG 16 10.739 9.271 -1.128 128 HE ARG 16 HE ARG 16 10.796 6.674 -0.162 129 HH11 ARG 16 1HH1 ARG 16 12.421 8.426 -2.754 130 HH12 ARG 16 2HH1 ARG 16 13.877 7.554 -2.631 131 HH21 ARG 16 1HH2 ARG 16 12.728 5.465 0.002 132 HH22 ARG 16 2HH2 ARG 16 14.065 5.814 -0.993 133 H ARG 17 HN ARG 17 7.933 5.566 -4.520 134 HA ARG 17 HA ARG 17 5.989 3.543 -4.138 135 HB2 ARG 17 2HB ARG 17 6.731 4.399 -6.367 136 HB3 ARG 17 1HB ARG 17 8.261 3.571 -6.130 137 HG2 ARG 17 2HG ARG 17 7.085 1.429 -6.017 138 HG3 ARG 17 1HG ARG 17 5.558 2.266 -6.283 139 HD2 ARG 17 2HD ARG 17 6.281 1.330 -8.341 140 HD3 ARG 17 1HD ARG 17 6.448 3.082 -8.450 141 HE ARG 17 HE ARG 17 8.895 2.552 -7.837 142 HH11 ARG 17 1HH1 ARG 17 6.804 0.531 -9.890 143 HH12 ARG 17 2HH1 ARG 17 8.082 -0.153 -10.767 144 HH21 ARG 17 1HH2 ARG 17 10.674 1.606 -9.093 145 HH22 ARG 17 2HH2 ARG 17 10.315 0.517 -10.355 146 H SER 18 HN SER 18 9.456 3.685 -3.716 147 HA SER 18 HA SER 18 10.005 0.978 -3.427 148 HB2 SER 18 2HB SER 18 11.975 1.943 -2.148 149 HB3 SER 18 1HB SER 18 11.760 2.507 -3.810 150 HG SER 18 HG SER 18 12.120 4.250 -2.472 151 H ASN 19 HN ASN 19 9.276 3.485 -1.087 152 HA ASN 19 HA ASN 19 9.363 1.848 1.200 153 HB2 ASN 19 2HB ASN 19 7.964 4.493 0.758 154 HB3 ASN 19 1HB ASN 19 8.080 3.690 2.321 155 HD21 ASN 19 1HD2 ASN 19 10.032 3.657 3.379 156 HD22 ASN 19 2HD2 ASN 19 11.361 4.649 2.915 157 H CYS 20 HN CYS 20 6.735 2.765 -0.930 158 HA CYS 20 HA CYS 20 4.624 1.631 0.535 159 HB2 CYS 20 2HB CYS 20 4.248 3.207 -1.290 160 HB3 CYS 20 1HB CYS 20 4.947 2.087 -2.442 161 H ALA 21 HN ALA 21 6.419 0.239 -2.247 162 HA ALA 21 HA ALA 21 5.153 -2.274 -2.089 163 HB1 ALA 21 1HB ALA 21 6.294 -1.446 -4.106 164 HB2 ALA 21 2HB ALA 21 6.869 -3.040 -3.618 165 HB3 ALA 21 3HB ALA 21 7.842 -1.609 -3.278 166 H ASN 22 HN ASN 22 8.057 -0.990 -0.560 167 HA ASN 22 HA ASN 22 8.841 -3.559 0.365 168 HB2 ASN 22 2HB ASN 22 10.504 -1.757 0.016 169 HB3 ASN 22 1HB ASN 22 9.808 -0.884 1.375 170 HD21 ASN 22 1HD2 ASN 22 10.342 -1.525 3.484 171 HD22 ASN 22 2HD2 ASN 22 11.501 -2.771 3.775 172 H VAL 23 HN VAL 23 6.913 -0.922 1.813 173 HA VAL 23 HA VAL 23 6.919 -2.188 4.342 174 HB VAL 23 HB VAL 23 6.243 0.246 4.032 175 HG11 VAL 23 1HG1 VAL 23 3.918 0.788 3.517 176 HG12 VAL 23 2HG1 VAL 23 3.627 -0.898 3.105 177 HG13 VAL 23 3HG1 VAL 23 4.755 0.059 2.143 178 HG21 VAL 23 1HG2 VAL 23 4.316 -1.494 5.564 179 HG22 VAL 23 2HG2 VAL 23 4.506 0.234 5.787 180 HG23 VAL 23 3HG2 VAL 23 5.849 -0.850 6.151 181 H CYS 24 HN CYS 24 4.753 -2.356 1.573 182 HA CYS 24 HA CYS 24 2.975 -4.203 2.653 183 HB2 CYS 24 2HB CYS 24 3.885 -3.721 -0.175 184 HB3 CYS 24 1HB CYS 24 2.538 -4.776 0.205 185 H ARG 25 HN ARG 25 6.055 -4.647 1.003 186 HA ARG 25 HA ARG 25 6.090 -7.439 0.917 187 HB2 ARG 25 2HB ARG 25 7.630 -5.914 -0.303 188 HB3 ARG 25 1HB ARG 25 8.418 -5.549 1.220 189 HG2 ARG 25 2HG ARG 25 9.129 -7.876 1.412 190 HG3 ARG 25 1HG ARG 25 8.337 -8.247 -0.121 191 HD2 ARG 25 2HD ARG 25 10.608 -6.307 0.308 192 HD3 ARG 25 1HD ARG 25 10.705 -7.879 -0.487 193 HE ARG 25 HE ARG 25 9.081 -6.880 -2.121 194 HH11 ARG 25 1HH1 ARG 25 11.600 -4.947 -0.484 195 HH12 ARG 25 2HH1 ARG 25 11.576 -3.723 -1.676 196 HH21 ARG 25 1HH2 ARG 25 9.148 -5.181 -3.749 197 HH22 ARG 25 2HH2 ARG 25 10.199 -3.858 -3.540 198 H THR 26 HN THR 26 7.256 -5.168 3.425 199 HA THR 26 HA THR 26 8.218 -7.224 5.105 200 HB THR 26 HB THR 26 8.304 -5.505 6.914 201 HG1 THR 26 1HG THR 26 6.561 -4.163 5.285 202 HG21 THR 26 1HG2 THR 26 9.979 -4.067 5.853 203 HG22 THR 26 2HG2 THR 26 9.412 -4.580 4.265 204 HG23 THR 26 3HG2 THR 26 10.174 -5.745 5.344 205 H GLU 27 HN GLU 27 5.032 -5.849 4.692 206 HA GLU 27 HA GLU 27 4.117 -7.069 7.099 207 HB2 GLU 27 2HB GLU 27 2.614 -5.712 4.882 208 HB3 GLU 27 1HB GLU 27 1.809 -6.453 6.256 209 HG2 GLU 27 2HG GLU 27 3.361 -4.947 7.668 210 HG3 GLU 27 1HG GLU 27 3.571 -4.044 6.167 211 H GLY 28 HN GLY 28 4.608 -8.145 3.942 212 HA2 GLY 28 2HA GLY 28 4.633 -10.542 3.632 213 HA3 GLY 28 1HA GLY 28 3.237 -10.641 4.693 214 H PHE 29 HN PHE 29 3.253 -8.106 2.394 215 HA PHE 29 HA PHE 29 1.208 -9.524 0.892 216 HB2 PHE 29 2HB PHE 29 1.748 -6.565 1.175 217 HB3 PHE 29 1HB PHE 29 0.485 -7.260 0.162 218 HD1 PHE 29 1HD PHE 29 -1.036 -8.990 1.464 219 HD2 PHE 29 2HD PHE 29 1.119 -5.807 3.255 220 HE1 PHE 29 1HE PHE 29 -2.588 -9.023 3.339 221 HE2 PHE 29 2HE PHE 29 -0.429 -5.824 5.162 222 HZ PHE 29 HZ PHE 29 -2.294 -7.430 5.216 223 HA PRO 30 HA PRO 30 3.907 -9.826 -2.537 224 HB2 PRO 30 2HB PRO 30 2.042 -9.880 -4.555 225 HB3 PRO 30 1HB PRO 30 2.458 -11.263 -3.539 226 HG2 PRO 30 2HG PRO 30 0.140 -9.392 -3.337 227 HG3 PRO 30 1HG PRO 30 0.195 -11.142 -3.070 228 HD2 PRO 30 2HD PRO 30 0.145 -9.361 -1.033 229 HD3 PRO 30 1HD PRO 30 0.989 -10.912 -0.921 230 H GLY 31 HN GLY 31 1.494 -7.195 -2.612 231 HA2 GLY 31 2HA GLY 31 3.496 -5.546 -3.933 232 HA3 GLY 31 1HA GLY 31 2.008 -5.801 -4.833 233 H GLY 32 HN GLY 32 2.648 -3.247 -4.301 234 HA2 GLY 32 2HA GLY 32 0.507 -2.471 -2.538 235 HA3 GLY 32 1HA GLY 32 2.118 -1.908 -2.088 236 H ARG 33 HN ARG 33 -0.448 -0.655 -3.258 237 HA ARG 33 HA ARG 33 0.955 1.009 -5.187 238 HB2 ARG 33 2HB ARG 33 -0.981 0.913 -6.752 239 HB3 ARG 33 1HB ARG 33 -0.072 -0.585 -6.635 240 HG2 ARG 33 2HG ARG 33 -1.786 -1.522 -5.171 241 HG3 ARG 33 1HG ARG 33 -2.693 -0.010 -5.263 242 HD2 ARG 33 2HD ARG 33 -1.983 -1.730 -7.632 243 HD3 ARG 33 1HD ARG 33 -3.529 -1.780 -6.792 244 HE ARG 33 HE ARG 33 -3.799 0.578 -7.416 245 HH11 ARG 33 1HH1 ARG 33 -1.612 -1.425 -9.354 246 HH12 ARG 33 2HH1 ARG 33 -1.818 -0.544 -10.778 247 HH21 ARG 33 1HH2 ARG 33 -4.112 1.781 -9.372 248 HH22 ARG 33 2HH2 ARG 33 -3.293 1.352 -10.801 249 H CYS 34 HN CYS 34 -0.225 2.995 -5.666 250 HA CYS 34 HA CYS 34 -1.337 4.100 -3.271 251 HB2 CYS 34 2HB CYS 34 -1.109 5.329 -6.020 252 HB3 CYS 34 1HB CYS 34 -1.333 6.185 -4.500 253 H ARG 35 HN ARG 35 -3.450 4.604 -2.892 254 HA ARG 35 HA ARG 35 -5.376 4.419 -5.067 255 HB2 ARG 35 2HB ARG 35 -5.548 2.165 -4.321 256 HB3 ARG 35 1HB ARG 35 -5.490 2.641 -2.628 257 HG2 ARG 35 2HG ARG 35 -7.693 3.706 -2.863 258 HG3 ARG 35 1HG ARG 35 -7.751 3.190 -4.543 259 HD2 ARG 35 2HD ARG 35 -7.413 1.241 -2.291 260 HD3 ARG 35 1HD ARG 35 -9.000 1.798 -2.799 261 HE ARG 35 HE ARG 35 -7.476 0.835 -4.993 262 HH11 ARG 35 1HH1 ARG 35 -9.212 -0.339 -2.155 263 HH12 ARG 35 2HH1 ARG 35 -9.839 -1.703 -2.946 264 HH21 ARG 35 1HH2 ARG 35 -8.348 -1.015 -6.068 265 HH22 ARG 35 2HH2 ARG 35 -9.349 -2.105 -5.245 266 H GLY 36 HN GLY 36 -5.314 4.680 -1.541 267 HA2 GLY 36 2HA GLY 36 -7.605 6.188 -1.240 268 HA3 GLY 36 1HA GLY 36 -6.292 6.127 -0.081 269 H PHE 37 HN PHE 37 -8.106 8.248 -1.109 270 HA PHE 37 HA PHE 37 -6.863 10.158 -2.675 271 HB2 PHE 37 2HB PHE 37 -9.232 10.244 -2.020 272 HB3 PHE 37 1HB PHE 37 -8.765 10.615 -0.366 273 HD1 PHE 37 1HD PHE 37 -8.529 11.890 -3.844 274 HD2 PHE 37 2HD PHE 37 -8.510 12.840 0.306 275 HE1 PHE 37 1HE PHE 37 -8.580 14.284 -4.392 276 HE2 PHE 37 2HE PHE 37 -8.559 15.236 -0.247 277 HZ PHE 37 HZ PHE 37 -8.593 15.955 -2.592 278 H ARG 38 HN ARG 38 -6.433 9.487 0.722 279 HA ARG 38 HA ARG 38 -4.871 11.812 1.350 280 HB2 ARG 38 2HB ARG 38 -5.254 9.187 2.790 281 HB3 ARG 38 1HB ARG 38 -4.274 10.496 3.424 282 HG2 ARG 38 2HG ARG 38 -6.220 11.944 3.518 283 HG3 ARG 38 1HG ARG 38 -7.219 10.676 2.803 284 HD2 ARG 38 2HD ARG 38 -6.863 9.250 4.712 285 HD3 ARG 38 1HD ARG 38 -5.704 10.392 5.386 286 HE ARG 38 HE ARG 38 -7.845 11.914 5.251 287 HH11 ARG 38 1HH1 ARG 38 -7.581 8.573 6.460 288 HH12 ARG 38 2HH1 ARG 38 -8.800 8.776 7.631 289 HH21 ARG 38 1HH2 ARG 38 -9.467 12.162 6.912 290 HH22 ARG 38 2HH2 ARG 38 -9.876 10.839 7.910 291 H ARG 39 HN ARG 39 -4.127 9.629 -0.758 292 HA ARG 39 HA ARG 39 -2.293 8.976 -1.862 293 HB2 ARG 39 2HB ARG 39 -0.831 10.929 -0.059 294 HB3 ARG 39 1HB ARG 39 -0.139 10.165 -1.474 295 HG2 ARG 39 2HG ARG 39 -2.452 12.119 -1.465 296 HG3 ARG 39 1HG ARG 39 -0.793 12.488 -1.918 297 HD2 ARG 39 2HD ARG 39 -1.996 12.216 -3.952 298 HD3 ARG 39 1HD ARG 39 -1.042 10.748 -3.753 299 HE ARG 39 HE ARG 39 -3.783 10.728 -2.801 300 HH11 ARG 39 1HH1 ARG 39 -1.612 9.816 -5.483 301 HH12 ARG 39 2HH1 ARG 39 -2.641 8.588 -6.062 302 HH21 ARG 39 1HH2 ARG 39 -5.163 8.971 -3.668 303 HH22 ARG 39 2HH2 ARG 39 -4.644 8.118 -5.031 304 H ARG 40 HN ARG 40 -3.187 7.337 -0.018 305 HA ARG 40 HA ARG 40 -0.915 6.455 1.558 306 HB2 ARG 40 2HB ARG 40 -3.828 5.813 1.699 307 HB3 ARG 40 1HB ARG 40 -2.647 4.787 2.496 308 HG2 ARG 40 2HG ARG 40 -1.811 6.822 3.675 309 HG3 ARG 40 1HG ARG 40 -3.177 7.703 2.990 310 HD2 ARG 40 2HD ARG 40 -4.735 6.325 4.145 311 HD3 ARG 40 1HD ARG 40 -3.464 5.207 4.646 312 HE ARG 40 HE ARG 40 -3.187 7.953 5.499 313 HH11 ARG 40 1HH1 ARG 40 -4.417 4.747 6.393 314 HH12 ARG 40 2HH1 ARG 40 -4.198 4.991 8.060 315 HH21 ARG 40 1HH2 ARG 40 -2.910 8.277 7.775 316 HH22 ARG 40 2HH2 ARG 40 -3.305 7.048 8.879 317 H CYS 41 HN CYS 41 -0.405 4.219 1.720 318 HA CYS 41 HA CYS 41 -0.201 3.057 -0.934 319 HB2 CYS 41 2HB CYS 41 1.894 3.381 0.252 320 HB3 CYS 41 1HB CYS 41 1.273 2.529 1.657 321 H PHE 42 HN PHE 42 -1.400 1.403 -1.470 322 HA PHE 42 HA PHE 42 -2.738 -0.086 0.636 323 HB2 PHE 42 2HB PHE 42 -3.593 0.604 -2.151 324 HB3 PHE 42 1HB PHE 42 -4.272 -0.741 -1.238 325 HD1 PHE 42 1HD PHE 42 -3.479 2.836 -0.481 326 HD2 PHE 42 2HD PHE 42 -6.288 -0.340 -0.366 327 HE1 PHE 42 1HE PHE 42 -5.104 4.325 0.633 328 HE2 PHE 42 2HE PHE 42 -7.919 1.142 0.752 329 HZ PHE 42 HZ PHE 42 -7.325 3.470 1.249 330 H CYS 43 HN CYS 43 -1.986 -1.871 0.980 331 HA CYS 43 HA CYS 43 -0.195 -3.213 -0.764 332 HB2 CYS 43 2HB CYS 43 -1.428 -4.004 1.869 333 HB3 CYS 43 1HB CYS 43 -0.148 -4.890 1.043 334 H THR 44 HN THR 44 -0.744 -4.520 -2.248 335 HA THR 44 HA THR 44 -3.486 -5.380 -2.537 336 HB THR 44 HB THR 44 -1.128 -5.867 -4.365 337 HG1 THR 44 1HG THR 44 -2.311 -3.560 -3.661 338 HG21 THR 44 1HG2 THR 44 -4.112 -5.699 -4.857 339 HG22 THR 44 2HG2 THR 44 -3.170 -7.189 -4.816 340 HG23 THR 44 3HG2 THR 44 -2.889 -6.001 -6.090 341 H THR 45 HN THR 45 -4.019 -7.228 -1.669 342 HA THR 45 HA THR 45 -1.958 -9.248 -1.202 343 HB THR 45 HB THR 45 -2.930 -8.362 0.866 344 HG1 THR 45 1HG THR 45 -4.186 -10.581 1.314 345 HG21 THR 45 1HG2 THR 45 -5.587 -9.310 -0.187 346 HG22 THR 45 2HG2 THR 45 -5.094 -7.626 0.000 347 HG23 THR 45 3HG2 THR 45 -5.293 -8.651 1.423 348 H HIS 46 HN HIS 46 -2.842 -11.492 -1.292 349 HA HIS 46 HA HIS 46 -4.298 -11.781 -3.765 350 HB2 HIS 46 2HB HIS 46 -2.316 -13.212 -3.276 351 HB3 HIS 46 1HB HIS 46 -3.192 -13.921 -1.925 352 HD1 HIS 46 1HD HIS 46 -4.425 -16.049 -2.478 353 HD2 HIS 46 2HD HIS 46 -3.687 -13.712 -5.830 354 HE1 HIS 46 1HE HIS 46 -5.219 -17.405 -4.448 355 H CYS 47 HN CYS 47 -6.347 -12.361 -3.944 356 HA CYS 47 HA CYS 47 -7.892 -12.533 -1.500 357 HB2 CYS 47 2HB CYS 47 -8.872 -12.318 -4.338 358 HB3 CYS 47 1HB CYS 47 -9.747 -11.937 -2.856 Start of MODEL 13 1 H1 ARG 1 1HT ARG 1 -9.232 -11.042 -10.110 2 H2 ARG 1 2HT ARG 1 -7.592 -10.710 -9.903 3 H3 ARG 1 3HT ARG 1 -8.730 -9.491 -9.671 4 HA ARG 1 HA ARG 1 -9.609 -10.594 -7.774 5 HB2 ARG 1 2HB ARG 1 -7.353 -12.551 -8.285 6 HB3 ARG 1 1HB ARG 1 -8.287 -12.473 -6.804 7 HG2 ARG 1 2HG ARG 1 -9.473 -13.035 -9.507 8 HG3 ARG 1 1HG ARG 1 -8.959 -14.276 -8.362 9 HD2 ARG 1 2HD ARG 1 -10.528 -13.450 -6.725 10 HD3 ARG 1 1HD ARG 1 -11.028 -12.151 -7.807 11 HE ARG 1 HE ARG 1 -11.572 -14.171 -9.324 12 HH11 ARG 1 1HH1 ARG 1 -12.120 -13.928 -5.829 13 HH12 ARG 1 2HH1 ARG 1 -13.503 -14.902 -5.817 14 HH21 ARG 1 1HH2 ARG 1 -13.510 -15.533 -9.319 15 HH22 ARG 1 2HH2 ARG 1 -14.276 -15.862 -7.830 16 H THR 2 HN THR 2 -9.033 -8.595 -7.070 17 HA THR 2 HA THR 2 -6.395 -8.465 -5.853 18 HB THR 2 HB THR 2 -7.753 -6.157 -7.168 19 HG1 THR 2 1HG THR 2 -5.668 -7.891 -8.110 20 HG21 THR 2 1HG2 THR 2 -6.136 -5.567 -5.449 21 HG22 THR 2 2HG2 THR 2 -5.523 -5.099 -7.035 22 HG23 THR 2 3HG2 THR 2 -4.904 -6.549 -6.244 23 H CYS 3 HN CYS 3 -6.387 -7.342 -4.009 24 HA CYS 3 HA CYS 3 -8.832 -6.226 -2.874 25 HB2 CYS 3 2HB CYS 3 -7.053 -8.308 -1.558 26 HB3 CYS 3 1HB CYS 3 -8.380 -7.482 -0.742 27 H GLN 4 HN GLN 4 -8.269 -4.407 -1.615 28 HA GLN 4 HA GLN 4 -5.391 -4.020 -1.215 29 HB2 GLN 4 2HB GLN 4 -7.329 -1.942 -2.265 30 HB3 GLN 4 1HB GLN 4 -5.671 -1.613 -1.789 31 HG2 GLN 4 2HG GLN 4 -4.846 -3.068 -3.550 32 HG3 GLN 4 1HG GLN 4 -6.495 -3.488 -3.998 33 HE21 GLN 4 1HE2 GLN 4 -4.030 -1.072 -4.109 34 HE22 GLN 4 2HE2 GLN 4 -4.810 -0.053 -5.276 35 H SER 5 HN SER 5 -4.934 -3.791 0.785 36 HA SER 5 HA SER 5 -6.917 -2.646 2.592 37 HB2 SER 5 2HB SER 5 -5.625 -4.021 4.302 38 HB3 SER 5 1HB SER 5 -6.503 -4.971 3.103 39 HG SER 5 HG SER 5 -3.826 -4.706 3.561 40 H GLN 6 HN GLN 6 -6.203 -0.882 3.779 41 HA GLN 6 HA GLN 6 -3.928 0.452 2.747 42 HB2 GLN 6 2HB GLN 6 -4.349 2.195 4.461 43 HB3 GLN 6 1HB GLN 6 -5.780 1.789 3.530 44 HG2 GLN 6 2HG GLN 6 -6.519 0.358 5.397 45 HG3 GLN 6 1HG GLN 6 -5.130 0.906 6.322 46 HE21 GLN 6 1HE2 GLN 6 -5.369 3.659 5.229 47 HE22 GLN 6 2HE2 GLN 6 -6.729 4.358 6.010 48 H SER 7 HN SER 7 -1.882 0.701 3.449 49 HA SER 7 HA SER 7 -0.730 -1.291 5.026 50 HB2 SER 7 2HB SER 7 0.586 -0.112 3.355 51 HB3 SER 7 1HB SER 7 0.331 1.423 4.183 52 HG SER 7 HG SER 7 1.799 -0.832 5.108 53 H HIS 8 HN HIS 8 0.085 -1.252 7.127 54 HA HIS 8 HA HIS 8 -1.286 0.694 8.814 55 HB2 HIS 8 2HB HIS 8 -0.309 -2.087 9.356 56 HB3 HIS 8 1HB HIS 8 -0.648 -0.970 10.671 57 HD1 HIS 8 1HD HIS 8 -3.074 -0.785 11.390 58 HD2 HIS 8 2HD HIS 8 -2.604 -2.701 7.735 59 HE1 HIS 8 1HE HIS 8 -5.345 -1.635 10.773 60 H ARG 9 HN ARG 9 1.816 0.026 7.660 61 HA ARG 9 HA ARG 9 2.839 1.667 9.856 62 HB2 ARG 9 2HB ARG 9 4.748 0.254 10.234 63 HB3 ARG 9 1HB ARG 9 3.279 -0.691 10.391 64 HG2 ARG 9 2HG ARG 9 3.754 -1.305 7.900 65 HG3 ARG 9 1HG ARG 9 5.398 -0.810 8.301 66 HD2 ARG 9 2HD ARG 9 5.249 -3.156 8.680 67 HD3 ARG 9 1HD ARG 9 5.253 -2.394 10.286 68 HE ARG 9 HE ARG 9 2.670 -2.875 9.093 69 HH11 ARG 9 1HH1 ARG 9 5.119 -4.237 11.283 70 HH12 ARG 9 2HH1 ARG 9 4.015 -5.356 11.960 71 HH21 ARG 9 1HH2 ARG 9 1.261 -4.411 10.011 72 HH22 ARG 9 2HH2 ARG 9 1.820 -5.459 11.249 73 H PHE 10 HN PHE 10 2.401 1.756 6.711 74 HA PHE 10 HA PHE 10 4.968 2.418 5.732 75 HB2 PHE 10 2HB PHE 10 3.129 1.849 4.203 76 HB3 PHE 10 1HB PHE 10 2.259 3.296 4.705 77 HD1 PHE 10 1HD PHE 10 5.422 2.181 3.139 78 HD2 PHE 10 2HD PHE 10 2.591 5.292 3.592 79 HE1 PHE 10 1HE PHE 10 6.578 3.477 1.416 80 HE2 PHE 10 2HE PHE 10 3.740 6.593 1.858 81 HZ PHE 10 HZ PHE 10 5.737 5.686 0.768 82 H ARG 11 HN ARG 11 6.024 4.294 5.574 83 HA ARG 11 HA ARG 11 5.166 6.358 7.439 84 HB2 ARG 11 2HB ARG 11 7.526 7.054 7.421 85 HB3 ARG 11 1HB ARG 11 7.306 5.384 7.922 86 HG2 ARG 11 2HG ARG 11 7.969 4.655 5.666 87 HG3 ARG 11 1HG ARG 11 8.240 6.344 5.230 88 HD2 ARG 11 2HD ARG 11 9.891 6.518 7.023 89 HD3 ARG 11 1HD ARG 11 9.605 4.821 7.408 90 HE ARG 11 HE ARG 11 10.358 5.303 4.684 91 HH11 ARG 11 1HH1 ARG 11 11.579 4.689 7.943 92 HH12 ARG 11 2HH1 ARG 11 13.035 3.976 7.420 93 HH21 ARG 11 1HH2 ARG 11 12.371 4.378 3.947 94 HH22 ARG 11 2HH2 ARG 11 13.494 3.811 5.093 95 H GLY 12 HN GLY 12 4.507 8.264 6.767 96 HA2 GLY 12 2HA GLY 12 4.367 10.200 5.527 97 HA3 GLY 12 1HA GLY 12 5.648 9.580 4.501 98 HA PRO 13 HA PRO 13 1.717 9.373 2.070 99 HB2 PRO 13 2HB PRO 13 2.506 10.917 -0.002 100 HB3 PRO 13 1HB PRO 13 1.798 11.607 1.461 101 HG2 PRO 13 2HG PRO 13 4.667 11.429 0.650 102 HG3 PRO 13 1HG PRO 13 3.804 12.769 1.426 103 HD2 PRO 13 2HD PRO 13 5.399 11.010 2.786 104 HD3 PRO 13 1HD PRO 13 4.029 11.857 3.520 105 H CYS 14 HN CYS 14 1.438 8.313 0.080 106 HA CYS 14 HA CYS 14 3.247 6.221 -0.478 107 HB2 CYS 14 2HB CYS 14 0.794 6.044 -0.642 108 HB3 CYS 14 1HB CYS 14 0.802 7.149 -2.000 109 H LEU 15 HN LEU 15 3.913 9.218 -1.241 110 HA LEU 15 HA LEU 15 4.362 9.384 -3.995 111 HB2 LEU 15 2HB LEU 15 5.833 10.654 -1.699 112 HB3 LEU 15 1HB LEU 15 6.145 11.047 -3.378 113 HG LEU 15 HG LEU 15 3.489 11.436 -1.994 114 HD11 LEU 15 1HD1 LEU 15 4.022 13.813 -2.093 115 HD12 LEU 15 2HD1 LEU 15 5.615 13.431 -2.748 116 HD13 LEU 15 3HD1 LEU 15 5.192 12.938 -1.108 117 HD21 LEU 15 1HD2 LEU 15 2.968 12.758 -4.002 118 HD22 LEU 15 2HD2 LEU 15 3.241 11.062 -4.371 119 HD23 LEU 15 3HD2 LEU 15 4.500 12.253 -4.710 120 H ARG 16 HN ARG 16 6.116 7.736 -1.531 121 HA ARG 16 HA ARG 16 8.194 7.000 -3.446 122 HB2 ARG 16 2HB ARG 16 8.035 6.497 -0.463 123 HB3 ARG 16 1HB ARG 16 9.418 6.135 -1.484 124 HG2 ARG 16 2HG ARG 16 9.644 8.536 -1.987 125 HG3 ARG 16 1HG ARG 16 8.301 8.869 -0.903 126 HD2 ARG 16 2HD ARG 16 9.591 7.873 0.946 127 HD3 ARG 16 1HD ARG 16 10.946 7.630 -0.155 128 HE ARG 16 HE ARG 16 9.861 10.207 0.724 129 HH11 ARG 16 1HH1 ARG 16 12.527 8.347 -0.698 130 HH12 ARG 16 2HH1 ARG 16 13.631 9.624 -0.645 131 HH21 ARG 16 1HH2 ARG 16 11.406 11.969 0.796 132 HH22 ARG 16 2HH2 ARG 16 12.994 11.723 0.219 133 H ARG 17 HN ARG 17 6.949 5.627 -4.694 134 HA ARG 17 HA ARG 17 5.127 3.746 -3.629 135 HB2 ARG 17 2HB ARG 17 6.329 3.766 -6.395 136 HB3 ARG 17 1HB ARG 17 4.880 2.909 -5.898 137 HG2 ARG 17 2HG ARG 17 3.818 5.096 -5.393 138 HG3 ARG 17 1HG ARG 17 5.251 5.899 -6.033 139 HD2 ARG 17 2HD ARG 17 3.308 4.132 -7.527 140 HD3 ARG 17 1HD ARG 17 3.599 5.847 -7.755 141 HE ARG 17 HE ARG 17 5.997 4.451 -8.164 142 HH11 ARG 17 1HH1 ARG 17 2.899 4.963 -9.754 143 HH12 ARG 17 2HH1 ARG 17 3.473 4.644 -11.329 144 HH21 ARG 17 1HH2 ARG 17 6.788 4.015 -10.245 145 HH22 ARG 17 2HH2 ARG 17 5.789 4.126 -11.636 146 H SER 18 HN SER 18 8.499 3.472 -4.614 147 HA SER 18 HA SER 18 8.672 0.673 -4.627 148 HB2 SER 18 2HB SER 18 10.869 2.568 -3.762 149 HB3 SER 18 1HB SER 18 11.039 0.988 -4.525 150 HG SER 18 HG SER 18 10.330 1.794 -6.425 151 H ASN 19 HN ASN 19 9.041 3.086 -2.062 152 HA ASN 19 HA ASN 19 9.713 1.230 -0.028 153 HB2 ASN 19 2HB ASN 19 10.173 3.680 0.170 154 HB3 ASN 19 1HB ASN 19 8.443 3.965 0.320 155 HD21 ASN 19 1HD2 ASN 19 10.383 1.363 1.748 156 HD22 ASN 19 2HD2 ASN 19 10.051 1.768 3.392 157 H CYS 20 HN CYS 20 6.687 2.624 -1.187 158 HA CYS 20 HA CYS 20 4.914 1.678 0.741 159 HB2 CYS 20 2HB CYS 20 4.198 3.262 -0.966 160 HB3 CYS 20 1HB CYS 20 4.518 2.094 -2.237 161 H ALA 21 HN ALA 21 5.897 0.121 -2.291 162 HA ALA 21 HA ALA 21 4.540 -2.305 -1.843 163 HB1 ALA 21 1HB ALA 21 5.399 -1.625 -4.052 164 HB2 ALA 21 2HB ALA 21 5.982 -3.225 -3.588 165 HB3 ALA 21 3HB ALA 21 7.049 -1.825 -3.461 166 H ASN 22 HN ASN 22 7.846 -1.297 -1.071 167 HA ASN 22 HA ASN 22 8.744 -3.726 -0.028 168 HB2 ASN 22 2HB ASN 22 10.355 -2.024 -0.509 169 HB3 ASN 22 1HB ASN 22 9.582 -0.898 0.598 170 HD21 ASN 22 1HD2 ASN 22 10.066 -0.994 2.773 171 HD22 ASN 22 2HD2 ASN 22 11.266 -2.043 3.415 172 H VAL 23 HN VAL 23 7.118 -1.048 1.637 173 HA VAL 23 HA VAL 23 7.291 -2.211 4.199 174 HB VAL 23 HB VAL 23 5.351 -0.119 3.143 175 HG11 VAL 23 1HG1 VAL 23 5.800 -1.010 5.999 176 HG12 VAL 23 2HG1 VAL 23 4.350 -1.320 5.046 177 HG13 VAL 23 3HG1 VAL 23 4.776 0.332 5.487 178 HG21 VAL 23 1HG2 VAL 23 7.669 0.609 3.229 179 HG22 VAL 23 2HG2 VAL 23 7.797 0.052 4.895 180 HG23 VAL 23 3HG2 VAL 23 6.748 1.410 4.507 181 H CYS 24 HN CYS 24 4.644 -2.185 1.834 182 HA CYS 24 HA CYS 24 2.983 -3.894 3.261 183 HB2 CYS 24 2HB CYS 24 3.245 -3.314 0.327 184 HB3 CYS 24 1HB CYS 24 2.017 -4.414 0.912 185 H ARG 25 HN ARG 25 5.574 -4.617 1.028 186 HA ARG 25 HA ARG 25 5.326 -7.383 0.981 187 HB2 ARG 25 2HB ARG 25 6.688 -6.331 -0.653 188 HB3 ARG 25 1HB ARG 25 7.616 -5.480 0.552 189 HG2 ARG 25 2HG ARG 25 7.794 -8.449 0.401 190 HG3 ARG 25 1HG ARG 25 8.641 -7.466 -0.798 191 HD2 ARG 25 2HD ARG 25 9.723 -6.230 1.062 192 HD3 ARG 25 1HD ARG 25 8.943 -7.323 2.197 193 HE ARG 25 HE ARG 25 10.207 -9.056 0.701 194 HH11 ARG 25 1HH1 ARG 25 11.398 -5.927 1.886 195 HH12 ARG 25 2HH1 ARG 25 12.985 -6.459 2.157 196 HH21 ARG 25 1HH2 ARG 25 12.424 -9.784 1.011 197 HH22 ARG 25 2HH2 ARG 25 13.601 -8.698 1.601 198 H THR 26 HN THR 26 7.036 -5.301 3.308 199 HA THR 26 HA THR 26 7.907 -7.562 4.797 200 HB THR 26 HB THR 26 8.472 -5.825 6.609 201 HG1 THR 26 1HG THR 26 6.925 -4.245 5.272 202 HG21 THR 26 1HG2 THR 26 10.122 -6.708 5.022 203 HG22 THR 26 2HG2 THR 26 10.417 -5.009 5.377 204 HG23 THR 26 3HG2 THR 26 9.659 -5.470 3.853 205 H GLU 27 HN GLU 27 4.983 -5.733 4.752 206 HA GLU 27 HA GLU 27 4.092 -6.764 7.279 207 HB2 GLU 27 2HB GLU 27 2.460 -5.432 5.079 208 HB3 GLU 27 1HB GLU 27 1.896 -5.786 6.712 209 HG2 GLU 27 2HG GLU 27 3.683 -4.293 7.575 210 HG3 GLU 27 1HG GLU 27 4.032 -3.837 5.911 211 H GLY 28 HN GLY 28 4.419 -7.961 4.191 212 HA2 GLY 28 2HA GLY 28 4.339 -10.316 3.890 213 HA3 GLY 28 1HA GLY 28 2.955 -10.380 4.966 214 H PHE 29 HN PHE 29 2.889 -7.848 2.683 215 HA PHE 29 HA PHE 29 0.905 -9.365 1.202 216 HB2 PHE 29 2HB PHE 29 1.278 -6.404 1.576 217 HB3 PHE 29 1HB PHE 29 0.124 -7.099 0.440 218 HD1 PHE 29 1HD PHE 29 0.543 -5.903 3.718 219 HD2 PHE 29 2HD PHE 29 -1.451 -8.894 1.464 220 HE1 PHE 29 1HE PHE 29 -1.144 -6.130 5.501 221 HE2 PHE 29 2HE PHE 29 -3.137 -9.112 3.204 222 HZ PHE 29 HZ PHE 29 -2.991 -7.732 5.250 223 HA PRO 30 HA PRO 30 3.450 -9.682 -2.319 224 HB2 PRO 30 2HB PRO 30 1.503 -9.495 -4.280 225 HB3 PRO 30 1HB PRO 30 1.939 -10.968 -3.415 226 HG2 PRO 30 2HG PRO 30 -0.325 -9.091 -2.950 227 HG3 PRO 30 1HG PRO 30 -0.291 -10.856 -2.814 228 HD2 PRO 30 2HD PRO 30 -0.230 -9.256 -0.654 229 HD3 PRO 30 1HD PRO 30 0.654 -10.794 -0.700 230 H GLY 31 HN GLY 31 0.967 -7.100 -2.607 231 HA2 GLY 31 2HA GLY 31 3.055 -5.535 -3.967 232 HA3 GLY 31 1HA GLY 31 1.395 -5.555 -4.544 233 H GLY 32 HN GLY 32 2.401 -3.175 -4.070 234 HA2 GLY 32 2HA GLY 32 0.763 -2.191 -1.948 235 HA3 GLY 32 1HA GLY 32 2.491 -1.969 -1.664 236 H ARG 33 HN ARG 33 -0.072 -0.384 -2.733 237 HA ARG 33 HA ARG 33 1.502 1.313 -4.452 238 HB2 ARG 33 2HB ARG 33 -0.071 1.242 -6.317 239 HB3 ARG 33 1HB ARG 33 0.646 -0.337 -6.036 240 HG2 ARG 33 2HG ARG 33 -1.401 -1.043 -4.888 241 HG3 ARG 33 1HG ARG 33 -2.110 0.540 -5.206 242 HD2 ARG 33 2HD ARG 33 -1.218 -1.483 -7.249 243 HD3 ARG 33 1HD ARG 33 -2.883 -1.052 -6.854 244 HE ARG 33 HE ARG 33 -1.029 0.967 -7.878 245 HH11 ARG 33 1HH1 ARG 33 -4.015 -0.918 -8.321 246 HH12 ARG 33 2HH1 ARG 33 -4.544 -0.028 -9.651 247 HH21 ARG 33 1HH2 ARG 33 -1.776 2.195 -9.727 248 HH22 ARG 33 2HH2 ARG 33 -3.237 1.788 -10.485 249 H CYS 34 HN CYS 34 -0.056 3.145 -5.277 250 HA CYS 34 HA CYS 34 -1.186 4.255 -2.884 251 HB2 CYS 34 2HB CYS 34 -1.021 5.429 -5.666 252 HB3 CYS 34 1HB CYS 34 -1.297 6.297 -4.158 253 H ARG 35 HN ARG 35 -3.240 4.024 -2.391 254 HA ARG 35 HA ARG 35 -5.221 3.660 -4.566 255 HB2 ARG 35 2HB ARG 35 -4.922 1.524 -3.440 256 HB3 ARG 35 1HB ARG 35 -5.157 2.284 -1.881 257 HG2 ARG 35 2HG ARG 35 -7.121 1.010 -2.492 258 HG3 ARG 35 1HG ARG 35 -7.509 2.729 -2.470 259 HD2 ARG 35 2HD ARG 35 -7.350 2.832 -4.855 260 HD3 ARG 35 1HD ARG 35 -6.823 1.147 -4.929 261 HE ARG 35 HE ARG 35 -9.320 1.348 -3.635 262 HH11 ARG 35 1HH1 ARG 35 -7.898 1.567 -6.863 263 HH12 ARG 35 2HH1 ARG 35 -9.271 0.983 -7.680 264 HH21 ARG 35 1HH2 ARG 35 -11.217 0.572 -4.728 265 HH22 ARG 35 2HH2 ARG 35 -11.219 0.405 -6.431 266 H GLY 36 HN GLY 36 -4.554 4.885 -1.365 267 HA2 GLY 36 2HA GLY 36 -7.101 6.092 -1.003 268 HA3 GLY 36 1HA GLY 36 -5.645 6.454 -0.084 269 H PHE 37 HN PHE 37 -7.727 8.155 -1.336 270 HA PHE 37 HA PHE 37 -6.846 9.496 -3.627 271 HB2 PHE 37 2HB PHE 37 -8.276 10.898 -1.387 272 HB3 PHE 37 1HB PHE 37 -8.454 11.121 -3.120 273 HD1 PHE 37 1HD PHE 37 -9.409 9.035 -4.418 274 HD2 PHE 37 2HD PHE 37 -9.822 9.720 -0.244 275 HE1 PHE 37 1HE PHE 37 -11.357 7.524 -4.360 276 HE2 PHE 37 2HE PHE 37 -11.725 8.247 -0.157 277 HZ PHE 37 HZ PHE 37 -12.530 7.116 -2.227 278 H ARG 38 HN ARG 38 -6.122 9.878 -0.255 279 HA ARG 38 HA ARG 38 -4.644 12.350 -0.557 280 HB2 ARG 38 2HB ARG 38 -5.037 10.536 1.817 281 HB3 ARG 38 1HB ARG 38 -4.323 12.137 1.845 282 HG2 ARG 38 2HG ARG 38 -6.429 13.138 1.201 283 HG3 ARG 38 1HG ARG 38 -7.156 11.537 1.029 284 HD2 ARG 38 2HD ARG 38 -5.982 12.582 3.589 285 HD3 ARG 38 1HD ARG 38 -7.691 12.683 3.170 286 HE ARG 38 HE ARG 38 -6.710 10.043 2.915 287 HH11 ARG 38 1HH1 ARG 38 -7.639 12.369 5.378 288 HH12 ARG 38 2HH1 ARG 38 -8.284 11.219 6.458 289 HH21 ARG 38 1HH2 ARG 38 -7.551 8.428 4.411 290 HH22 ARG 38 2HH2 ARG 38 -8.197 8.926 5.903 291 H ARG 39 HN ARG 39 -3.808 9.755 -1.820 292 HA ARG 39 HA ARG 39 -1.915 8.642 -2.356 293 HB2 ARG 39 2HB ARG 39 -0.578 10.837 -0.770 294 HB3 ARG 39 1HB ARG 39 0.281 9.647 -1.732 295 HG2 ARG 39 2HG ARG 39 -0.697 10.496 -3.742 296 HG3 ARG 39 1HG ARG 39 -1.722 11.607 -2.819 297 HD2 ARG 39 2HD ARG 39 0.238 12.740 -1.985 298 HD3 ARG 39 1HD ARG 39 1.280 11.597 -2.823 299 HE ARG 39 HE ARG 39 -0.004 12.533 -4.870 300 HH11 ARG 39 1HH1 ARG 39 1.002 14.455 -2.041 301 HH12 ARG 39 2HH1 ARG 39 1.420 15.813 -2.973 302 HH21 ARG 39 1HH2 ARG 39 0.542 14.397 -6.095 303 HH22 ARG 39 2HH2 ARG 39 1.132 15.799 -5.332 304 H ARG 40 HN ARG 40 -3.298 7.492 -0.443 305 HA ARG 40 HA ARG 40 -1.429 6.846 1.693 306 HB2 ARG 40 2HB ARG 40 -3.733 7.241 2.397 307 HB3 ARG 40 1HB ARG 40 -4.301 6.000 1.297 308 HG2 ARG 40 2HG ARG 40 -4.314 5.126 3.550 309 HG3 ARG 40 1HG ARG 40 -3.073 4.301 2.615 310 HD2 ARG 40 2HD ARG 40 -1.364 5.734 3.624 311 HD3 ARG 40 1HD ARG 40 -2.608 6.565 4.562 312 HE ARG 40 HE ARG 40 -2.206 3.672 4.851 313 HH11 ARG 40 1HH1 ARG 40 -2.005 6.904 6.302 314 HH12 ARG 40 2HH1 ARG 40 -1.888 6.329 7.898 315 HH21 ARG 40 1HH2 ARG 40 -2.031 2.906 7.103 316 HH22 ARG 40 2HH2 ARG 40 -1.925 4.052 8.351 317 H CYS 41 HN CYS 41 -0.238 5.138 1.674 318 HA CYS 41 HA CYS 41 -0.093 3.354 -0.500 319 HB2 CYS 41 2HB CYS 41 1.852 3.917 0.863 320 HB3 CYS 41 1HB CYS 41 1.094 3.208 2.279 321 H PHE 42 HN PHE 42 -1.208 1.597 -0.896 322 HA PHE 42 HA PHE 42 -2.597 0.238 1.286 323 HB2 PHE 42 2HB PHE 42 -3.529 0.891 -1.479 324 HB3 PHE 42 1HB PHE 42 -4.099 -0.567 -0.692 325 HD1 PHE 42 1HD PHE 42 -6.200 -0.391 0.152 326 HD2 PHE 42 2HD PHE 42 -3.675 3.031 0.306 327 HE1 PHE 42 1HE PHE 42 -8.007 0.880 1.192 328 HE2 PHE 42 2HE PHE 42 -5.509 4.312 1.366 329 HZ PHE 42 HZ PHE 42 -7.665 3.235 1.806 330 H CYS 43 HN CYS 43 -2.293 -1.810 1.438 331 HA CYS 43 HA CYS 43 -0.242 -3.000 -0.129 332 HB2 CYS 43 2HB CYS 43 -1.900 -4.003 2.182 333 HB3 CYS 43 1HB CYS 43 -0.501 -4.825 1.492 334 H THR 44 HN THR 44 -0.623 -4.183 -1.772 335 HA THR 44 HA THR 44 -3.361 -4.732 -2.516 336 HB THR 44 HB THR 44 -0.785 -4.943 -4.085 337 HG1 THR 44 1HG THR 44 -1.807 -2.842 -3.136 338 HG21 THR 44 1HG2 THR 44 -3.676 -4.809 -4.971 339 HG22 THR 44 2HG2 THR 44 -2.655 -6.246 -5.030 340 HG23 THR 44 3HG2 THR 44 -2.276 -4.849 -6.040 341 H THR 45 HN THR 45 -4.040 -6.593 -1.745 342 HA THR 45 HA THR 45 -2.187 -8.834 -1.637 343 HB THR 45 HB THR 45 -2.963 -8.153 0.565 344 HG1 THR 45 1HG THR 45 -3.853 -10.188 1.230 345 HG21 THR 45 1HG2 THR 45 -5.173 -7.197 -0.089 346 HG22 THR 45 2HG2 THR 45 -5.250 -8.291 1.290 347 HG23 THR 45 3HG2 THR 45 -5.758 -8.858 -0.295 348 H HIS 46 HN HIS 46 -3.088 -10.857 -2.167 349 HA HIS 46 HA HIS 46 -5.265 -10.604 -4.113 350 HB2 HIS 46 2HB HIS 46 -2.924 -12.537 -4.144 351 HB3 HIS 46 1HB HIS 46 -4.283 -12.614 -5.262 352 HD1 HIS 46 1HD HIS 46 -0.933 -11.520 -5.338 353 HD2 HIS 46 2HD HIS 46 -4.545 -9.806 -6.490 354 HE1 HIS 46 1HE HIS 46 -0.351 -9.695 -6.968 355 H CYS 47 HN CYS 47 -7.074 -11.333 -3.326 356 HA CYS 47 HA CYS 47 -7.053 -13.046 -1.107 357 HB2 CYS 47 2HB CYS 47 -9.356 -11.958 -2.719 358 HB3 CYS 47 1HB CYS 47 -9.521 -12.859 -1.212 Start of MODEL 14 1 H1 ARG 1 1HT ARG 1 -11.457 -11.170 -7.223 2 H2 ARG 1 2HT ARG 1 -11.110 -9.533 -7.077 3 H3 ARG 1 3HT ARG 1 -10.938 -10.551 -5.763 4 HA ARG 1 HA ARG 1 -9.183 -11.741 -6.777 5 HB2 ARG 1 2HB ARG 1 -9.854 -11.628 -9.081 6 HB3 ARG 1 1HB ARG 1 -9.656 -9.883 -9.109 7 HG2 ARG 1 2HG ARG 1 -7.252 -10.128 -8.831 8 HG3 ARG 1 1HG ARG 1 -7.426 -11.880 -8.744 9 HD2 ARG 1 2HD ARG 1 -6.697 -11.082 -10.965 10 HD3 ARG 1 1HD ARG 1 -8.223 -11.958 -11.018 11 HE ARG 1 HE ARG 1 -8.336 -9.053 -10.843 12 HH11 ARG 1 1HH1 ARG 1 -8.577 -11.911 -12.909 13 HH12 ARG 1 2HH1 ARG 1 -9.459 -11.122 -14.131 14 HH21 ARG 1 1HH2 ARG 1 -9.597 -7.994 -12.484 15 HH22 ARG 1 2HH2 ARG 1 -10.093 -8.867 -13.864 16 H THR 2 HN THR 2 -9.164 -8.204 -7.636 17 HA THR 2 HA THR 2 -6.643 -8.047 -6.309 18 HB THR 2 HB THR 2 -6.829 -5.636 -7.121 19 HG1 THR 2 1HG THR 2 -8.490 -5.110 -8.330 20 HG21 THR 2 1HG2 THR 2 -5.428 -7.304 -8.208 21 HG22 THR 2 2HG2 THR 2 -6.172 -6.252 -9.407 22 HG23 THR 2 3HG2 THR 2 -6.805 -7.878 -9.145 23 H CYS 3 HN CYS 3 -6.553 -7.679 -4.252 24 HA CYS 3 HA CYS 3 -8.640 -6.015 -3.071 25 HB2 CYS 3 2HB CYS 3 -7.157 -8.361 -1.870 26 HB3 CYS 3 1HB CYS 3 -8.276 -7.336 -0.978 27 H GLN 4 HN GLN 4 -7.959 -4.341 -1.924 28 HA GLN 4 HA GLN 4 -5.084 -4.118 -1.475 29 HB2 GLN 4 2HB GLN 4 -6.957 -1.906 -2.331 30 HB3 GLN 4 1HB GLN 4 -5.292 -1.664 -1.841 31 HG2 GLN 4 2HG GLN 4 -4.588 -3.132 -3.689 32 HG3 GLN 4 1HG GLN 4 -6.270 -3.182 -4.232 33 HE21 GLN 4 1HE2 GLN 4 -5.856 -2.175 -6.169 34 HE22 GLN 4 2HE2 GLN 4 -5.413 -0.502 -6.273 35 H SER 5 HN SER 5 -4.620 -3.982 0.512 36 HA SER 5 HA SER 5 -6.637 -3.007 2.398 37 HB2 SER 5 2HB SER 5 -6.076 -5.411 2.631 38 HB3 SER 5 1HB SER 5 -4.380 -4.979 2.834 39 HG SER 5 HG SER 5 -6.403 -4.984 4.624 40 H GLN 6 HN GLN 6 -6.087 -1.269 3.522 41 HA GLN 6 HA GLN 6 -3.975 0.394 2.838 42 HB2 GLN 6 2HB GLN 6 -6.026 1.147 3.922 43 HB3 GLN 6 1HB GLN 6 -5.573 0.296 5.389 44 HG2 GLN 6 2HG GLN 6 -3.605 1.768 5.591 45 HG3 GLN 6 1HG GLN 6 -4.163 2.655 4.172 46 HE21 GLN 6 1HE2 GLN 6 -5.996 3.937 4.337 47 HE22 GLN 6 2HE2 GLN 6 -6.635 4.402 5.866 48 H SER 7 HN SER 7 -1.883 0.521 3.456 49 HA SER 7 HA SER 7 -0.790 -1.370 5.274 50 HB2 SER 7 2HB SER 7 0.549 -0.503 3.384 51 HB3 SER 7 1HB SER 7 0.418 1.131 4.034 52 HG SER 7 HG SER 7 1.499 -0.999 5.542 53 H HIS 8 HN HIS 8 -0.206 -1.015 7.354 54 HA HIS 8 HA HIS 8 -1.491 1.353 8.549 55 HB2 HIS 8 2HB HIS 8 -2.475 -0.856 9.099 56 HB3 HIS 8 1HB HIS 8 -0.940 -1.328 9.820 57 HD1 HIS 8 1HD HIS 8 -1.081 -1.198 12.303 58 HD2 HIS 8 2HD HIS 8 -3.405 1.697 10.444 59 HE1 HIS 8 1HE HIS 8 -2.146 0.135 14.163 60 H ARG 9 HN ARG 9 1.486 0.086 7.895 61 HA ARG 9 HA ARG 9 2.668 1.625 10.099 62 HB2 ARG 9 2HB ARG 9 4.600 0.015 10.033 63 HB3 ARG 9 1HB ARG 9 3.087 -0.657 10.618 64 HG2 ARG 9 2HG ARG 9 2.699 -1.667 8.423 65 HG3 ARG 9 1HG ARG 9 4.234 -1.010 7.865 66 HD2 ARG 9 2HD ARG 9 3.901 -2.947 10.156 67 HD3 ARG 9 1HD ARG 9 4.384 -3.386 8.519 68 HE ARG 9 HE ARG 9 6.030 -1.377 9.678 69 HH11 ARG 9 1HH1 ARG 9 5.504 -4.881 9.589 70 HH12 ARG 9 2HH1 ARG 9 7.147 -5.240 9.907 71 HH21 ARG 9 1HH2 ARG 9 8.211 -1.898 10.132 72 HH22 ARG 9 2HH2 ARG 9 8.707 -3.531 10.235 73 H PHE 10 HN PHE 10 2.008 2.172 7.230 74 HA PHE 10 HA PHE 10 4.575 2.604 5.983 75 HB2 PHE 10 2HB PHE 10 2.659 1.921 4.617 76 HB3 PHE 10 1HB PHE 10 1.776 3.356 5.118 77 HD1 PHE 10 1HD PHE 10 4.826 2.248 3.342 78 HD2 PHE 10 2HD PHE 10 1.954 5.324 3.899 79 HE1 PHE 10 1HE PHE 10 5.785 3.473 1.457 80 HE2 PHE 10 2HE PHE 10 2.907 6.554 2.012 81 HZ PHE 10 HZ PHE 10 4.824 5.636 0.780 82 H ARG 11 HN ARG 11 5.514 4.571 5.573 83 HA ARG 11 HA ARG 11 4.303 6.883 6.826 84 HB2 ARG 11 2HB ARG 11 6.576 7.588 7.626 85 HB3 ARG 11 1HB ARG 11 5.877 6.219 8.472 86 HG2 ARG 11 2HG ARG 11 7.276 4.721 7.127 87 HG3 ARG 11 1HG ARG 11 8.011 6.133 6.360 88 HD2 ARG 11 2HD ARG 11 8.831 6.910 8.464 89 HD3 ARG 11 1HD ARG 11 7.982 5.626 9.319 90 HE ARG 11 HE ARG 11 9.741 4.579 7.388 91 HH11 ARG 11 1HH1 ARG 11 9.794 6.185 10.535 92 HH12 ARG 11 2HH1 ARG 11 11.115 5.309 11.154 93 HH21 ARG 11 1HH2 ARG 11 11.660 3.400 8.202 94 HH22 ARG 11 2HH2 ARG 11 12.222 3.719 9.769 95 H GLY 12 HN GLY 12 4.299 8.602 5.610 96 HA2 GLY 12 2HA GLY 12 5.344 10.147 4.141 97 HA3 GLY 12 1HA GLY 12 6.172 8.795 3.373 98 HA PRO 13 HA PRO 13 2.350 9.339 0.921 99 HB2 PRO 13 2HB PRO 13 3.383 10.282 -1.352 100 HB3 PRO 13 1HB PRO 13 3.098 11.348 0.027 101 HG2 PRO 13 2HG PRO 13 5.659 10.260 -1.015 102 HG3 PRO 13 1HG PRO 13 5.345 11.785 -0.176 103 HD2 PRO 13 2HD PRO 13 6.356 9.373 0.962 104 HD3 PRO 13 1HD PRO 13 5.880 10.843 1.826 105 H CYS 14 HN CYS 14 1.597 7.882 -0.663 106 HA CYS 14 HA CYS 14 3.031 5.461 -1.042 107 HB2 CYS 14 2HB CYS 14 1.150 4.807 -2.469 108 HB3 CYS 14 1HB CYS 14 0.580 5.560 -0.982 109 H LEU 15 HN LEU 15 3.384 8.373 -2.530 110 HA LEU 15 HA LEU 15 3.819 7.744 -5.234 111 HB2 LEU 15 2HB LEU 15 5.107 9.912 -3.580 112 HB3 LEU 15 1HB LEU 15 5.043 9.859 -5.330 113 HG LEU 15 HG LEU 15 2.689 10.191 -3.471 114 HD11 LEU 15 1HD1 LEU 15 4.055 12.100 -5.334 115 HD12 LEU 15 2HD1 LEU 15 4.014 12.174 -3.570 116 HD13 LEU 15 3HD1 LEU 15 2.534 12.407 -4.501 117 HD21 LEU 15 1HD2 LEU 15 2.024 8.934 -5.453 118 HD22 LEU 15 2HD2 LEU 15 2.777 10.145 -6.489 119 HD23 LEU 15 3HD2 LEU 15 1.373 10.572 -5.511 120 H ARG 16 HN ARG 16 5.757 7.423 -2.362 121 HA ARG 16 HA ARG 16 8.072 6.546 -3.870 122 HB2 ARG 16 2HB ARG 16 7.515 6.329 -0.889 123 HB3 ARG 16 1HB ARG 16 9.049 5.996 -1.668 124 HG2 ARG 16 2HG ARG 16 9.218 8.370 -2.299 125 HG3 ARG 16 1HG ARG 16 7.697 8.682 -1.453 126 HD2 ARG 16 2HD ARG 16 8.727 7.801 0.619 127 HD3 ARG 16 1HD ARG 16 10.254 7.636 -0.238 128 HE ARG 16 HE ARG 16 9.163 10.259 -0.389 129 HH11 ARG 16 1HH1 ARG 16 11.209 8.114 1.557 130 HH12 ARG 16 2HH1 ARG 16 11.942 9.356 2.444 131 HH21 ARG 16 1HH2 ARG 16 10.153 12.004 0.879 132 HH22 ARG 16 2HH2 ARG 16 11.318 11.629 2.062 133 H ARG 17 HN ARG 17 7.087 4.964 -5.043 134 HA ARG 17 HA ARG 17 5.341 3.011 -4.018 135 HB2 ARG 17 2HB ARG 17 5.435 3.759 -6.392 136 HB3 ARG 17 1HB ARG 17 6.953 2.897 -6.559 137 HG2 ARG 17 2HG ARG 17 5.848 0.782 -6.163 138 HG3 ARG 17 1HG ARG 17 4.321 1.611 -5.859 139 HD2 ARG 17 2HD ARG 17 5.857 1.604 -8.458 140 HD3 ARG 17 1HD ARG 17 4.364 0.721 -8.128 141 HE ARG 17 HE ARG 17 3.937 3.426 -7.582 142 HH11 ARG 17 1HH1 ARG 17 4.410 1.346 -10.427 143 HH12 ARG 17 2HH1 ARG 17 3.670 2.415 -11.501 144 HH21 ARG 17 1HH2 ARG 17 2.938 4.872 -9.045 145 HH22 ARG 17 2HH2 ARG 17 2.773 4.491 -10.688 146 H SER 18 HN SER 18 8.805 3.154 -4.398 147 HA SER 18 HA SER 18 9.414 0.451 -4.046 148 HB2 SER 18 2HB SER 18 11.602 1.482 -3.194 149 HB3 SER 18 1HB SER 18 11.096 1.938 -4.824 150 HG SER 18 HG SER 18 11.754 3.646 -3.198 151 H ASN 19 HN ASN 19 9.179 3.116 -1.747 152 HA ASN 19 HA ASN 19 9.579 1.584 0.606 153 HB2 ASN 19 2HB ASN 19 9.884 4.051 0.525 154 HB3 ASN 19 1HB ASN 19 8.151 4.245 0.312 155 HD21 ASN 19 1HD2 ASN 19 8.000 5.493 2.193 156 HD22 ASN 19 2HD2 ASN 19 8.096 4.810 3.760 157 H CYS 20 HN CYS 20 6.715 2.645 -1.115 158 HA CYS 20 HA CYS 20 4.702 1.756 0.613 159 HB2 CYS 20 2HB CYS 20 4.382 3.225 -1.382 160 HB3 CYS 20 1HB CYS 20 4.725 1.856 -2.416 161 H ALA 21 HN ALA 21 6.265 0.041 -2.115 162 HA ALA 21 HA ALA 21 4.901 -2.384 -1.738 163 HB1 ALA 21 1HB ALA 21 6.013 -1.791 -3.841 164 HB2 ALA 21 2HB ALA 21 6.580 -3.345 -3.226 165 HB3 ALA 21 3HB ALA 21 7.580 -1.905 -3.042 166 H ASN 22 HN ASN 22 7.933 -1.137 -0.487 167 HA ASN 22 HA ASN 22 8.771 -3.573 0.677 168 HB2 ASN 22 2HB ASN 22 10.394 -1.834 0.165 169 HB3 ASN 22 1HB ASN 22 9.637 -0.752 1.327 170 HD21 ASN 22 1HD2 ASN 22 10.104 -0.982 3.497 171 HD22 ASN 22 2HD2 ASN 22 11.293 -2.077 4.085 172 H VAL 23 HN VAL 23 6.958 -0.833 2.027 173 HA VAL 23 HA VAL 23 6.929 -1.953 4.635 174 HB VAL 23 HB VAL 23 5.007 0.070 3.421 175 HG11 VAL 23 1HG1 VAL 23 4.044 -1.105 5.369 176 HG12 VAL 23 2HG1 VAL 23 4.383 0.581 5.736 177 HG13 VAL 23 3HG1 VAL 23 5.479 -0.683 6.302 178 HG21 VAL 23 1HG2 VAL 23 7.420 0.413 5.197 179 HG22 VAL 23 2HG2 VAL 23 6.326 1.704 4.717 180 HG23 VAL 23 3HG2 VAL 23 7.301 0.876 3.500 181 H CYS 24 HN CYS 24 4.673 -2.093 1.917 182 HA CYS 24 HA CYS 24 2.874 -3.783 3.197 183 HB2 CYS 24 2HB CYS 24 3.518 -3.358 0.294 184 HB3 CYS 24 1HB CYS 24 2.254 -4.469 0.819 185 H ARG 25 HN ARG 25 5.885 -4.451 1.603 186 HA ARG 25 HA ARG 25 5.779 -7.258 1.613 187 HB2 ARG 25 2HB ARG 25 7.479 -5.985 0.407 188 HB3 ARG 25 1HB ARG 25 8.121 -5.386 1.925 189 HG2 ARG 25 2HG ARG 25 8.769 -7.671 2.534 190 HG3 ARG 25 1HG ARG 25 8.159 -8.233 0.971 191 HD2 ARG 25 2HD ARG 25 10.371 -6.243 1.421 192 HD3 ARG 25 1HD ARG 25 10.548 -7.908 0.863 193 HE ARG 25 HE ARG 25 8.944 -7.004 -0.988 194 HH11 ARG 25 1HH1 ARG 25 11.783 -5.383 0.358 195 HH12 ARG 25 2HH1 ARG 25 12.132 -4.516 -1.059 196 HH21 ARG 25 1HH2 ARG 25 9.358 -5.775 -2.863 197 HH22 ARG 25 2HH2 ARG 25 10.686 -4.720 -2.950 198 H THR 26 HN THR 26 6.860 -4.911 4.070 199 HA THR 26 HA THR 26 7.521 -6.946 5.920 200 HB THR 26 HB THR 26 7.697 -5.114 7.622 201 HG1 THR 26 1HG THR 26 6.142 -3.755 5.862 202 HG21 THR 26 1HG2 THR 26 9.008 -4.492 4.979 203 HG22 THR 26 2HG2 THR 26 9.601 -5.644 6.168 204 HG23 THR 26 3HG2 THR 26 9.549 -3.925 6.557 205 H GLU 27 HN GLU 27 4.546 -5.494 5.042 206 HA GLU 27 HA GLU 27 3.262 -6.742 7.314 207 HB2 GLU 27 2HB GLU 27 2.068 -5.108 5.065 208 HB3 GLU 27 1HB GLU 27 1.108 -5.873 6.326 209 HG2 GLU 27 2HG GLU 27 2.531 -4.583 7.984 210 HG3 GLU 27 1HG GLU 27 3.115 -3.660 6.605 211 H GLY 28 HN GLY 28 4.503 -7.918 4.637 212 HA2 GLY 28 2HA GLY 28 4.446 -10.153 4.050 213 HA3 GLY 28 1HA GLY 28 2.923 -10.325 4.898 214 H PHE 29 HN PHE 29 3.512 -7.919 2.396 215 HA PHE 29 HA PHE 29 1.669 -9.424 0.684 216 HB2 PHE 29 2HB PHE 29 1.911 -6.450 1.087 217 HB3 PHE 29 1HB PHE 29 0.922 -7.180 -0.175 218 HD1 PHE 29 1HD PHE 29 1.039 -6.065 3.172 219 HD2 PHE 29 2HD PHE 29 -0.852 -8.848 0.596 220 HE1 PHE 29 1HE PHE 29 -0.806 -6.257 4.754 221 HE2 PHE 29 2HE PHE 29 -2.720 -9.054 2.169 222 HZ PHE 29 HZ PHE 29 -2.701 -7.746 4.271 223 HA PRO 30 HA PRO 30 4.648 -9.157 -2.614 224 HB2 PRO 30 2HB PRO 30 2.699 -8.329 -4.616 225 HB3 PRO 30 1HB PRO 30 3.522 -9.877 -4.445 226 HG2 PRO 30 2HG PRO 30 0.862 -9.503 -3.972 227 HG3 PRO 30 1HG PRO 30 1.830 -10.781 -3.208 228 HD2 PRO 30 2HD PRO 30 0.861 -8.195 -2.113 229 HD3 PRO 30 1HD PRO 30 1.082 -9.755 -1.298 230 H GLY 31 HN GLY 31 2.473 -6.378 -2.308 231 HA2 GLY 31 2HA GLY 31 4.546 -4.529 -2.483 232 HA3 GLY 31 1HA GLY 31 3.823 -4.670 -4.077 233 H GLY 32 HN GLY 32 3.592 -2.289 -3.269 234 HA2 GLY 32 2HA GLY 32 0.948 -2.032 -2.032 235 HA3 GLY 32 1HA GLY 32 2.272 -0.920 -1.691 236 H ARG 33 HN ARG 33 -0.025 0.099 -2.593 237 HA ARG 33 HA ARG 33 0.650 1.140 -5.234 238 HB2 ARG 33 2HB ARG 33 -0.770 -0.882 -5.545 239 HB3 ARG 33 1HB ARG 33 -1.994 -0.119 -4.535 240 HG2 ARG 33 2HG ARG 33 -2.651 0.063 -6.823 241 HG3 ARG 33 1HG ARG 33 -2.201 1.663 -6.240 242 HD2 ARG 33 2HD ARG 33 -0.022 1.456 -7.318 243 HD3 ARG 33 1HD ARG 33 -0.431 -0.166 -7.856 244 HE ARG 33 HE ARG 33 -2.448 1.337 -8.816 245 HH11 ARG 33 1HH1 ARG 33 1.061 1.530 -9.173 246 HH12 ARG 33 2HH1 ARG 33 1.002 2.228 -10.734 247 HH21 ARG 33 1HH2 ARG 33 -2.514 2.270 -10.948 248 HH22 ARG 33 2HH2 ARG 33 -1.061 2.661 -11.742 249 H CYS 34 HN CYS 34 -0.555 3.082 -5.630 250 HA CYS 34 HA CYS 34 -1.413 4.516 -3.290 251 HB2 CYS 34 2HB CYS 34 -1.290 5.259 -6.211 252 HB3 CYS 34 1HB CYS 34 -2.029 6.310 -5.012 253 H ARG 35 HN ARG 35 -3.374 4.680 -2.586 254 HA ARG 35 HA ARG 35 -5.667 4.188 -4.297 255 HB2 ARG 35 2HB ARG 35 -5.142 1.933 -3.632 256 HB3 ARG 35 1HB ARG 35 -4.944 2.426 -1.964 257 HG2 ARG 35 2HG ARG 35 -7.004 1.172 -2.290 258 HG3 ARG 35 1HG ARG 35 -7.333 2.818 -1.767 259 HD2 ARG 35 2HD ARG 35 -7.954 3.446 -4.008 260 HD3 ARG 35 1HD ARG 35 -7.472 1.862 -4.624 261 HE ARG 35 HE ARG 35 -9.232 1.004 -3.020 262 HH11 ARG 35 1HH1 ARG 35 -9.599 4.189 -4.550 263 HH12 ARG 35 2HH1 ARG 35 -11.288 4.068 -4.678 264 HH21 ARG 35 1HH2 ARG 35 -11.552 0.867 -3.218 265 HH22 ARG 35 2HH2 ARG 35 -12.417 2.179 -3.884 266 H GLY 36 HN GLY 36 -4.349 4.822 -1.102 267 HA2 GLY 36 2HA GLY 36 -6.623 5.827 0.086 268 HA3 GLY 36 1HA GLY 36 -4.978 6.269 0.514 269 H PHE 37 HN PHE 37 -7.656 7.692 0.009 270 HA PHE 37 HA PHE 37 -7.437 9.474 -2.128 271 HB2 PHE 37 2HB PHE 37 -9.502 9.153 -0.837 272 HB3 PHE 37 1HB PHE 37 -8.746 9.873 0.576 273 HD1 PHE 37 1HD PHE 37 -9.849 10.600 -2.892 274 HD2 PHE 37 2HD PHE 37 -8.850 12.192 0.932 275 HE1 PHE 37 1HE PHE 37 -10.698 12.800 -3.587 276 HE2 PHE 37 2HE PHE 37 -9.690 14.389 0.246 277 HZ PHE 37 HZ PHE 37 -10.622 14.700 -2.020 278 H ARG 38 HN ARG 38 -6.005 9.496 1.021 279 HA ARG 38 HA ARG 38 -4.882 12.175 0.735 280 HB2 ARG 38 2HB ARG 38 -4.613 10.144 2.955 281 HB3 ARG 38 1HB ARG 38 -4.068 11.809 3.004 282 HG2 ARG 38 2HG ARG 38 -6.325 12.613 2.926 283 HG3 ARG 38 1HG ARG 38 -6.941 10.972 2.707 284 HD2 ARG 38 2HD ARG 38 -7.181 11.651 5.039 285 HD3 ARG 38 1HD ARG 38 -6.014 10.343 4.877 286 HE ARG 38 HE ARG 38 -4.990 13.053 4.921 287 HH11 ARG 38 1HH1 ARG 38 -5.481 10.025 6.688 288 HH12 ARG 38 2HH1 ARG 38 -4.354 10.424 7.911 289 HH21 ARG 38 1HH2 ARG 38 -3.470 13.560 6.582 290 HH22 ARG 38 2HH2 ARG 38 -3.202 12.464 7.869 291 H ARG 39 HN ARG 39 -4.111 9.700 -0.896 292 HA ARG 39 HA ARG 39 -2.296 8.844 -1.921 293 HB2 ARG 39 2HB ARG 39 -0.757 10.992 -0.432 294 HB3 ARG 39 1HB ARG 39 -0.072 9.972 -1.683 295 HG2 ARG 39 2HG ARG 39 -2.329 11.929 -2.052 296 HG3 ARG 39 1HG ARG 39 -0.647 12.202 -2.510 297 HD2 ARG 39 2HD ARG 39 -0.794 10.310 -4.078 298 HD3 ARG 39 1HD ARG 39 -2.480 10.071 -3.617 299 HE ARG 39 HE ARG 39 -1.993 12.726 -4.456 300 HH11 ARG 39 1HH1 ARG 39 -2.482 9.470 -5.798 301 HH12 ARG 39 2HH1 ARG 39 -3.177 10.040 -7.242 302 HH21 ARG 39 1HH2 ARG 39 -2.924 13.465 -6.443 303 HH22 ARG 39 2HH2 ARG 39 -3.421 12.341 -7.624 304 H ARG 40 HN ARG 40 -3.209 7.526 0.233 305 HA ARG 40 HA ARG 40 -0.842 6.795 1.770 306 HB2 ARG 40 2HB ARG 40 -3.735 6.054 2.230 307 HB3 ARG 40 1HB ARG 40 -2.397 5.460 3.199 308 HG2 ARG 40 2HG ARG 40 -1.846 7.823 3.773 309 HG3 ARG 40 1HG ARG 40 -3.314 8.312 2.927 310 HD2 ARG 40 2HD ARG 40 -3.703 8.142 5.327 311 HD3 ARG 40 1HD ARG 40 -4.644 6.933 4.452 312 HE ARG 40 HE ARG 40 -2.241 5.748 5.165 313 HH11 ARG 40 1HH1 ARG 40 -5.071 7.076 6.850 314 HH12 ARG 40 2HH1 ARG 40 -4.929 6.028 8.183 315 HH21 ARG 40 1HH2 ARG 40 -2.067 4.295 6.998 316 HH22 ARG 40 2HH2 ARG 40 -3.187 4.446 8.271 317 H CYS 41 HN CYS 41 -0.198 4.652 2.025 318 HA CYS 41 HA CYS 41 -0.215 3.274 -0.496 319 HB2 CYS 41 2HB CYS 41 1.879 3.623 0.720 320 HB3 CYS 41 1HB CYS 41 1.249 2.728 2.092 321 H PHE 42 HN PHE 42 -1.365 1.571 -0.979 322 HA PHE 42 HA PHE 42 -2.570 0.009 1.175 323 HB2 PHE 42 2HB PHE 42 -3.667 0.773 -1.516 324 HB3 PHE 42 1HB PHE 42 -4.187 -0.680 -0.674 325 HD1 PHE 42 1HD PHE 42 -3.548 2.822 0.448 326 HD2 PHE 42 2HD PHE 42 -6.259 -0.427 0.160 327 HE1 PHE 42 1HE PHE 42 -5.228 4.127 1.689 328 HE2 PHE 42 2HE PHE 42 -7.950 0.886 1.415 329 HZ PHE 42 HZ PHE 42 -7.430 3.142 2.171 330 H CYS 43 HN CYS 43 -2.196 -2.042 1.157 331 HA CYS 43 HA CYS 43 -0.135 -3.019 -0.558 332 HB2 CYS 43 2HB CYS 43 -1.671 -4.311 1.677 333 HB3 CYS 43 1HB CYS 43 -0.161 -4.886 0.966 334 H THR 44 HN THR 44 -0.490 -4.143 -2.328 335 HA THR 44 HA THR 44 -3.197 -4.899 -3.011 336 HB THR 44 HB THR 44 -0.653 -5.198 -4.630 337 HG1 THR 44 1HG THR 44 -1.731 -2.988 -3.835 338 HG21 THR 44 1HG2 THR 44 -2.202 -5.242 -6.547 339 HG22 THR 44 2HG2 THR 44 -3.572 -5.106 -5.442 340 HG23 THR 44 3HG2 THR 44 -2.559 -6.547 -5.414 341 H THR 45 HN THR 45 -3.915 -6.895 -2.698 342 HA THR 45 HA THR 45 -2.000 -9.070 -2.666 343 HB THR 45 HB THR 45 -2.596 -8.471 -0.308 344 HG1 THR 45 1HG THR 45 -3.699 -10.743 0.003 345 HG21 THR 45 1HG2 THR 45 -4.857 -8.927 0.533 346 HG22 THR 45 2HG2 THR 45 -5.390 -9.300 -1.104 347 HG23 THR 45 3HG2 THR 45 -4.890 -7.658 -0.693 348 H HIS 46 HN HIS 46 -3.284 -11.173 -2.874 349 HA HIS 46 HA HIS 46 -5.328 -10.729 -4.916 350 HB2 HIS 46 2HB HIS 46 -3.117 -11.883 -5.524 351 HB3 HIS 46 1HB HIS 46 -3.657 -13.211 -4.513 352 HD1 HIS 46 1HD HIS 46 -3.748 -12.059 -7.935 353 HD2 HIS 46 2HD HIS 46 -6.236 -14.309 -5.482 354 HE1 HIS 46 1HE HIS 46 -5.278 -13.323 -9.476 355 H CYS 47 HN CYS 47 -7.282 -11.333 -4.390 356 HA CYS 47 HA CYS 47 -7.641 -13.034 -2.108 357 HB2 CYS 47 2HB CYS 47 -9.567 -11.323 -3.675 358 HB3 CYS 47 1HB CYS 47 -10.111 -12.431 -2.425 Start of MODEL 15 1 H1 ARG 1 1HT ARG 1 -11.021 -9.411 -6.657 2 H2 ARG 1 2HT ARG 1 -10.858 -10.640 -5.540 3 H3 ARG 1 3HT ARG 1 -11.706 -10.938 -6.937 4 HA ARG 1 HA ARG 1 -9.557 -11.955 -7.012 5 HB2 ARG 1 2HB ARG 1 -9.836 -9.551 -8.829 6 HB3 ARG 1 1HB ARG 1 -8.651 -10.816 -9.076 7 HG2 ARG 1 2HG ARG 1 -10.361 -12.438 -9.468 8 HG3 ARG 1 1HG ARG 1 -11.619 -11.300 -8.980 9 HD2 ARG 1 2HD ARG 1 -9.784 -10.959 -11.350 10 HD3 ARG 1 1HD ARG 1 -11.453 -11.528 -11.431 11 HE ARG 1 HE ARG 1 -11.680 -9.206 -10.104 12 HH11 ARG 1 1HH1 ARG 1 -10.186 -9.988 -13.211 13 HH12 ARG 1 2HH1 ARG 1 -10.441 -8.447 -13.872 14 HH21 ARG 1 1HH2 ARG 1 -12.024 -7.131 -10.987 15 HH22 ARG 1 2HH2 ARG 1 -11.524 -6.765 -12.570 16 H THR 2 HN THR 2 -8.837 -8.441 -7.291 17 HA THR 2 HA THR 2 -6.542 -8.951 -5.569 18 HB THR 2 HB THR 2 -5.765 -6.719 -6.569 19 HG1 THR 2 1HG THR 2 -7.965 -6.351 -7.460 20 HG21 THR 2 1HG2 THR 2 -6.064 -9.117 -8.392 21 HG22 THR 2 2HG2 THR 2 -4.787 -8.884 -7.200 22 HG23 THR 2 3HG2 THR 2 -4.894 -7.813 -8.597 23 H CYS 3 HN CYS 3 -6.732 -8.218 -3.568 24 HA CYS 3 HA CYS 3 -8.689 -6.149 -3.003 25 HB2 CYS 3 2HB CYS 3 -7.439 -8.307 -1.298 26 HB3 CYS 3 1HB CYS 3 -8.336 -6.965 -0.607 27 H GLN 4 HN GLN 4 -8.057 -4.375 -1.987 28 HA GLN 4 HA GLN 4 -5.165 -3.971 -1.579 29 HB2 GLN 4 2HB GLN 4 -7.350 -1.965 -2.161 30 HB3 GLN 4 1HB GLN 4 -5.680 -1.555 -1.865 31 HG2 GLN 4 2HG GLN 4 -6.746 -3.111 -4.206 32 HG3 GLN 4 1HG GLN 4 -6.222 -1.428 -4.206 33 HE21 GLN 4 1HE2 GLN 4 -5.272 -3.578 -5.822 34 HE22 GLN 4 2HE2 GLN 4 -3.576 -3.733 -5.489 35 H SER 5 HN SER 5 -4.620 -3.935 0.410 36 HA SER 5 HA SER 5 -6.592 -3.107 2.419 37 HB2 SER 5 2HB SER 5 -4.199 -4.937 2.684 38 HB3 SER 5 1HB SER 5 -5.350 -4.528 3.954 39 HG SER 5 HG SER 5 -6.953 -5.374 2.371 40 H GLN 6 HN GLN 6 -6.039 -1.317 3.555 41 HA GLN 6 HA GLN 6 -3.790 0.230 2.854 42 HB2 GLN 6 2HB GLN 6 -4.371 1.647 4.813 43 HB3 GLN 6 1HB GLN 6 -5.754 1.305 3.785 44 HG2 GLN 6 2HG GLN 6 -6.512 -0.393 5.351 45 HG3 GLN 6 1HG GLN 6 -5.110 -0.087 6.375 46 HE21 GLN 6 1HE2 GLN 6 -8.135 1.091 5.254 47 HE22 GLN 6 2HE2 GLN 6 -8.331 2.327 6.444 48 H SER 7 HN SER 7 -1.742 0.323 3.609 49 HA SER 7 HA SER 7 -0.586 -1.749 5.024 50 HB2 SER 7 2HB SER 7 0.426 1.066 4.862 51 HB3 SER 7 1HB SER 7 1.371 -0.429 4.879 52 HG SER 7 HG SER 7 0.708 -0.868 2.812 53 H HIS 8 HN HIS 8 0.360 -1.724 7.173 54 HA HIS 8 HA HIS 8 -1.243 -0.114 9.041 55 HB2 HIS 8 2HB HIS 8 0.332 -2.642 9.567 56 HB3 HIS 8 1HB HIS 8 -0.672 -1.788 10.729 57 HD1 HIS 8 1HD HIS 8 -0.804 -4.123 7.883 58 HD2 HIS 8 2HD HIS 8 -3.428 -2.135 10.386 59 HE1 HIS 8 1HE HIS 8 -3.047 -5.289 7.589 60 H ARG 9 HN ARG 9 1.967 -0.850 7.974 61 HA ARG 9 HA ARG 9 2.974 0.977 10.047 62 HB2 ARG 9 2HB ARG 9 5.089 -0.280 10.023 63 HB3 ARG 9 1HB ARG 9 3.724 -1.270 10.505 64 HG2 ARG 9 2HG ARG 9 3.665 -2.129 8.133 65 HG3 ARG 9 1HG ARG 9 5.203 -1.290 7.903 66 HD2 ARG 9 2HD ARG 9 4.670 -3.357 10.009 67 HD3 ARG 9 1HD ARG 9 5.472 -3.686 8.472 68 HE ARG 9 HE ARG 9 7.043 -1.862 9.325 69 HH11 ARG 9 1HH1 ARG 9 5.475 -4.290 11.361 70 HH12 ARG 9 2HH1 ARG 9 6.748 -4.433 12.481 71 HH21 ARG 9 1HH2 ARG 9 8.813 -1.990 10.889 72 HH22 ARG 9 2HH2 ARG 9 8.726 -3.074 12.194 73 H PHE 10 HN PHE 10 2.037 1.615 7.364 74 HA PHE 10 HA PHE 10 4.412 2.317 5.890 75 HB2 PHE 10 2HB PHE 10 2.321 1.820 4.666 76 HB3 PHE 10 1HB PHE 10 1.529 3.189 5.439 77 HD1 PHE 10 1HD PHE 10 1.645 5.321 4.448 78 HD2 PHE 10 2HD PHE 10 4.329 2.264 3.195 79 HE1 PHE 10 1HE PHE 10 2.455 6.763 2.645 80 HE2 PHE 10 2HE PHE 10 5.132 3.712 1.395 81 HZ PHE 10 HZ PHE 10 4.205 5.961 1.121 82 H ARG 11 HN ARG 11 5.079 4.493 5.480 83 HA ARG 11 HA ARG 11 4.270 6.434 7.480 84 HB2 ARG 11 2HB ARG 11 6.659 6.903 8.000 85 HB3 ARG 11 1HB ARG 11 6.109 5.328 8.544 86 HG2 ARG 11 2HG ARG 11 7.158 4.336 6.510 87 HG3 ARG 11 1HG ARG 11 7.827 5.927 6.143 88 HD2 ARG 11 2HD ARG 11 9.006 5.936 8.260 89 HD3 ARG 11 1HD ARG 11 8.281 4.385 8.674 90 HE ARG 11 HE ARG 11 10.074 4.709 6.349 91 HH11 ARG 11 1HH1 ARG 11 9.198 2.976 9.311 92 HH12 ARG 11 2HH1 ARG 11 10.329 1.719 9.069 93 HH21 ARG 11 1HH2 ARG 11 11.625 3.015 6.056 94 HH22 ARG 11 2HH2 ARG 11 11.739 1.737 7.175 95 H GLY 12 HN GLY 12 4.241 8.456 6.683 96 HA2 GLY 12 2HA GLY 12 4.855 10.282 5.426 97 HA3 GLY 12 1HA GLY 12 5.986 9.283 4.539 98 HA PRO 13 HA PRO 13 2.476 10.076 1.711 99 HB2 PRO 13 2HB PRO 13 3.884 11.008 -0.369 100 HB3 PRO 13 1HB PRO 13 3.509 12.034 1.021 101 HG2 PRO 13 2HG PRO 13 6.053 10.660 0.309 102 HG3 PRO 13 1HG PRO 13 5.808 12.250 1.050 103 HD2 PRO 13 2HD PRO 13 6.471 9.912 2.403 104 HD3 PRO 13 1HD PRO 13 5.783 11.367 3.146 105 H CYS 14 HN CYS 14 1.764 8.867 -0.105 106 HA CYS 14 HA CYS 14 3.057 6.320 -0.438 107 HB2 CYS 14 2HB CYS 14 0.555 6.680 -0.491 108 HB3 CYS 14 1HB CYS 14 0.763 7.406 -2.076 109 H LEU 15 HN LEU 15 3.591 9.295 -1.824 110 HA LEU 15 HA LEU 15 4.140 8.650 -4.502 111 HB2 LEU 15 2HB LEU 15 5.304 10.798 -2.733 112 HB3 LEU 15 1HB LEU 15 5.756 10.638 -4.415 113 HG LEU 15 HG LEU 15 4.185 12.401 -4.261 114 HD11 LEU 15 1HD1 LEU 15 2.353 11.684 -5.672 115 HD12 LEU 15 2HD1 LEU 15 2.740 10.002 -5.330 116 HD13 LEU 15 3HD1 LEU 15 3.899 11.014 -6.197 117 HD21 LEU 15 1HD2 LEU 15 2.336 10.529 -2.773 118 HD22 LEU 15 2HD2 LEU 15 1.910 12.145 -3.336 119 HD23 LEU 15 3HD2 LEU 15 3.159 11.943 -2.111 120 H ARG 16 HN ARG 16 5.866 8.026 -1.607 121 HA ARG 16 HA ARG 16 8.214 7.119 -3.008 122 HB2 ARG 16 2HB ARG 16 7.367 6.666 -0.139 123 HB3 ARG 16 1HB ARG 16 8.928 6.238 -0.816 124 HG2 ARG 16 2HG ARG 16 9.309 8.679 -1.235 125 HG3 ARG 16 1HG ARG 16 7.808 8.983 -0.369 126 HD2 ARG 16 2HD ARG 16 9.722 9.216 1.141 127 HD3 ARG 16 1HD ARG 16 8.670 7.871 1.590 128 HE ARG 16 HE ARG 16 10.963 7.207 -0.056 129 HH11 ARG 16 1HH1 ARG 16 9.659 7.333 3.225 130 HH12 ARG 16 2HH1 ARG 16 10.763 6.219 3.889 131 HH21 ARG 16 1HH2 ARG 16 12.503 5.671 0.869 132 HH22 ARG 16 2HH2 ARG 16 12.415 5.254 2.515 133 H ARG 17 HN ARG 17 7.261 5.702 -4.438 134 HA ARG 17 HA ARG 17 5.492 3.622 -3.670 135 HB2 ARG 17 2HB ARG 17 5.967 2.640 -5.921 136 HB3 ARG 17 1HB ARG 17 5.393 4.297 -5.936 137 HG2 ARG 17 2HG ARG 17 7.695 5.074 -6.269 138 HG3 ARG 17 1HG ARG 17 8.248 3.395 -6.286 139 HD2 ARG 17 2HD ARG 17 7.963 4.325 -8.540 140 HD3 ARG 17 1HD ARG 17 6.892 2.955 -8.239 141 HE ARG 17 HE ARG 17 5.486 5.228 -7.563 142 HH11 ARG 17 1HH1 ARG 17 6.969 3.939 -10.505 143 HH12 ARG 17 2HH1 ARG 17 5.782 4.582 -11.542 144 HH21 ARG 17 1HH2 ARG 17 3.861 6.091 -8.980 145 HH22 ARG 17 2HH2 ARG 17 3.975 5.826 -10.653 146 H SER 18 HN SER 18 8.957 3.808 -3.865 147 HA SER 18 HA SER 18 9.549 1.079 -3.690 148 HB2 SER 18 2HB SER 18 11.679 2.115 -2.675 149 HB3 SER 18 1HB SER 18 11.251 2.567 -4.332 150 HG SER 18 HG SER 18 11.788 4.292 -2.754 151 H ASN 19 HN ASN 19 8.971 3.610 -1.395 152 HA ASN 19 HA ASN 19 9.399 2.166 1.004 153 HB2 ASN 19 2HB ASN 19 9.386 4.612 0.945 154 HB3 ASN 19 1HB ASN 19 7.703 4.600 0.445 155 HD21 ASN 19 1HD2 ASN 19 7.090 5.849 2.168 156 HD22 ASN 19 2HD2 ASN 19 7.011 5.263 3.771 157 H CYS 20 HN CYS 20 6.471 3.011 -0.800 158 HA CYS 20 HA CYS 20 4.544 1.749 0.754 159 HB2 CYS 20 2HB CYS 20 4.006 3.283 -1.090 160 HB3 CYS 20 1HB CYS 20 4.642 2.134 -2.253 161 H ALA 21 HN ALA 21 6.305 0.418 -2.047 162 HA ALA 21 HA ALA 21 5.176 -2.147 -1.889 163 HB1 ALA 21 1HB ALA 21 6.909 -2.812 -3.426 164 HB2 ALA 21 2HB ALA 21 7.828 -1.355 -3.054 165 HB3 ALA 21 3HB ALA 21 6.281 -1.228 -3.889 166 H ASN 22 HN ASN 22 8.070 -0.749 -0.394 167 HA ASN 22 HA ASN 22 9.048 -3.260 0.505 168 HB2 ASN 22 2HB ASN 22 10.524 -1.273 0.268 169 HB3 ASN 22 1HB ASN 22 9.697 -0.527 1.630 170 HD21 ASN 22 1HD2 ASN 22 10.227 -1.180 3.703 171 HD22 ASN 22 2HD2 ASN 22 11.485 -2.304 4.041 172 H VAL 23 HN VAL 23 7.110 -0.730 2.036 173 HA VAL 23 HA VAL 23 6.872 -1.917 4.557 174 HB VAL 23 HB VAL 23 4.932 -0.121 3.053 175 HG11 VAL 23 1HG1 VAL 23 3.814 0.253 5.211 176 HG12 VAL 23 2HG1 VAL 23 4.856 -0.963 5.949 177 HG13 VAL 23 3HG1 VAL 23 3.695 -1.436 4.711 178 HG21 VAL 23 1HG2 VAL 23 7.053 0.902 3.620 179 HG22 VAL 23 2HG2 VAL 23 6.863 0.420 5.306 180 HG23 VAL 23 3HG2 VAL 23 5.764 1.601 4.594 181 H CYS 24 HN CYS 24 4.716 -2.136 1.752 182 HA CYS 24 HA CYS 24 3.020 -4.036 2.826 183 HB2 CYS 24 2HB CYS 24 3.727 -3.382 -0.015 184 HB3 CYS 24 1HB CYS 24 2.462 -4.532 0.387 185 H ARG 25 HN ARG 25 6.084 -4.481 1.135 186 HA ARG 25 HA ARG 25 5.889 -7.287 0.975 187 HB2 ARG 25 2HB ARG 25 7.532 -5.983 -0.338 188 HB3 ARG 25 1HB ARG 25 8.390 -5.589 1.144 189 HG2 ARG 25 2HG ARG 25 8.934 -7.920 1.489 190 HG3 ARG 25 1HG ARG 25 7.998 -8.372 0.066 191 HD2 ARG 25 2HD ARG 25 9.515 -7.031 -1.328 192 HD3 ARG 25 1HD ARG 25 10.467 -6.642 0.106 193 HE ARG 25 HE ARG 25 10.446 -9.305 0.167 194 HH11 ARG 25 1HH1 ARG 25 11.248 -7.084 -2.480 195 HH12 ARG 25 2HH1 ARG 25 12.320 -8.188 -3.220 196 HH21 ARG 25 1HH2 ARG 25 11.913 -10.762 -0.867 197 HH22 ARG 25 2HH2 ARG 25 12.693 -10.307 -2.301 198 H THR 26 HN THR 26 7.289 -5.146 3.460 199 HA THR 26 HA THR 26 8.083 -7.297 5.097 200 HB THR 26 HB THR 26 8.293 -5.572 6.930 201 HG1 THR 26 1HG THR 26 6.716 -4.125 5.271 202 HG21 THR 26 1HG2 THR 26 9.561 -4.918 4.270 203 HG22 THR 26 2HG2 THR 26 10.167 -6.071 5.460 204 HG23 THR 26 3HG2 THR 26 10.136 -4.350 5.834 205 H GLU 27 HN GLU 27 5.024 -5.799 4.611 206 HA GLU 27 HA GLU 27 3.953 -7.071 6.966 207 HB2 GLU 27 2HB GLU 27 2.632 -5.353 4.869 208 HB3 GLU 27 1HB GLU 27 1.753 -6.107 6.194 209 HG2 GLU 27 2HG GLU 27 3.362 -4.894 7.740 210 HG3 GLU 27 1HG GLU 27 3.852 -3.969 6.324 211 H GLY 28 HN GLY 28 4.887 -8.266 4.188 212 HA2 GLY 28 2HA GLY 28 4.628 -10.457 3.480 213 HA3 GLY 28 1HA GLY 28 3.247 -10.613 4.551 214 H PHE 29 HN PHE 29 3.602 -8.136 2.087 215 HA PHE 29 HA PHE 29 1.453 -9.460 0.630 216 HB2 PHE 29 2HB PHE 29 1.952 -6.509 1.018 217 HB3 PHE 29 1HB PHE 29 0.749 -7.167 -0.087 218 HD1 PHE 29 1HD PHE 29 1.355 -6.025 3.202 219 HD2 PHE 29 2HD PHE 29 -0.958 -8.772 0.953 220 HE1 PHE 29 1HE PHE 29 -0.281 -6.124 5.032 221 HE2 PHE 29 2HE PHE 29 -2.604 -8.890 2.753 222 HZ PHE 29 HZ PHE 29 -2.279 -7.558 4.815 223 HA PRO 30 HA PRO 30 4.017 -9.684 -3.001 224 HB2 PRO 30 2HB PRO 30 1.633 -8.688 -4.467 225 HB3 PRO 30 1HB PRO 30 2.596 -10.140 -4.752 226 HG2 PRO 30 2HG PRO 30 0.187 -10.304 -3.630 227 HG3 PRO 30 1HG PRO 30 1.524 -11.340 -3.091 228 HD2 PRO 30 2HD PRO 30 0.334 -8.944 -1.777 229 HD3 PRO 30 1HD PRO 30 0.990 -10.425 -1.061 230 H GLY 31 HN GLY 31 1.973 -6.783 -2.676 231 HA2 GLY 31 2HA GLY 31 4.179 -5.051 -3.116 232 HA3 GLY 31 1HA GLY 31 3.179 -5.149 -4.556 233 H GLY 32 HN GLY 32 3.244 -2.757 -3.761 234 HA2 GLY 32 2HA GLY 32 0.730 -2.325 -2.327 235 HA3 GLY 32 1HA GLY 32 2.169 -1.404 -1.887 236 H ARG 33 HN ARG 33 -0.370 -0.459 -2.961 237 HA ARG 33 HA ARG 33 0.651 0.977 -5.318 238 HB2 ARG 33 2HB ARG 33 -2.122 -0.214 -5.112 239 HB3 ARG 33 1HB ARG 33 -1.491 0.732 -6.450 240 HG2 ARG 33 2HG ARG 33 0.100 -1.023 -6.960 241 HG3 ARG 33 1HG ARG 33 -0.470 -1.954 -5.579 242 HD2 ARG 33 2HD ARG 33 -2.724 -1.991 -6.610 243 HD3 ARG 33 1HD ARG 33 -2.036 -1.210 -8.037 244 HE ARG 33 HE ARG 33 -0.487 -3.415 -7.455 245 HH11 ARG 33 1HH1 ARG 33 -3.752 -2.716 -8.633 246 HH12 ARG 33 2HH1 ARG 33 -3.967 -4.238 -9.371 247 HH21 ARG 33 1HH2 ARG 33 -0.761 -5.491 -8.421 248 HH22 ARG 33 2HH2 ARG 33 -2.190 -5.872 -9.265 249 H CYS 34 HN CYS 34 -0.455 2.997 -5.642 250 HA CYS 34 HA CYS 34 -1.576 4.094 -3.176 251 HB2 CYS 34 2HB CYS 34 -0.728 5.496 -5.723 252 HB3 CYS 34 1HB CYS 34 -1.161 6.264 -4.204 253 H ARG 35 HN ARG 35 -3.786 4.173 -3.081 254 HA ARG 35 HA ARG 35 -5.134 4.878 -5.592 255 HB2 ARG 35 2HB ARG 35 -6.807 3.235 -5.441 256 HB3 ARG 35 1HB ARG 35 -5.314 2.398 -5.043 257 HG2 ARG 35 2HG ARG 35 -5.866 2.381 -2.718 258 HG3 ARG 35 1HG ARG 35 -7.283 3.395 -3.007 259 HD2 ARG 35 2HD ARG 35 -8.158 1.602 -4.509 260 HD3 ARG 35 1HD ARG 35 -6.815 0.592 -3.988 261 HE ARG 35 HE ARG 35 -8.170 1.530 -1.731 262 HH11 ARG 35 1HH1 ARG 35 -8.694 -0.701 -4.444 263 HH12 ARG 35 2HH1 ARG 35 -9.765 -1.704 -3.592 264 HH21 ARG 35 1HH2 ARG 35 -9.687 0.153 -0.585 265 HH22 ARG 35 2HH2 ARG 35 -10.331 -1.214 -1.364 266 H GLY 36 HN GLY 36 -4.490 5.927 -2.702 267 HA2 GLY 36 2HA GLY 36 -7.205 6.684 -1.891 268 HA3 GLY 36 1HA GLY 36 -5.746 6.872 -0.924 269 H PHE 37 HN PHE 37 -7.656 8.908 -1.321 270 HA PHE 37 HA PHE 37 -6.887 10.687 -3.402 271 HB2 PHE 37 2HB PHE 37 -9.136 10.721 -2.366 272 HB3 PHE 37 1HB PHE 37 -8.425 11.263 -0.855 273 HD1 PHE 37 1HD PHE 37 -9.071 12.202 -4.358 274 HD2 PHE 37 2HD PHE 37 -7.949 13.545 -0.479 275 HE1 PHE 37 1HE PHE 37 -9.343 14.530 -5.090 276 HE2 PHE 37 2HE PHE 37 -8.216 15.874 -1.206 277 HZ PHE 37 HZ PHE 37 -8.918 16.368 -3.520 278 H ARG 38 HN ARG 38 -6.006 10.373 -0.024 279 HA ARG 38 HA ARG 38 -4.202 12.670 -0.095 280 HB2 ARG 38 2HB ARG 38 -4.815 10.605 2.026 281 HB3 ARG 38 1HB ARG 38 -3.597 11.853 2.227 282 HG2 ARG 38 2HG ARG 38 -5.252 13.573 2.104 283 HG3 ARG 38 1HG ARG 38 -6.502 12.401 1.684 284 HD2 ARG 38 2HD ARG 38 -4.937 12.359 4.259 285 HD3 ARG 38 1HD ARG 38 -6.518 13.119 4.080 286 HE ARG 38 HE ARG 38 -7.119 10.726 3.245 287 HH11 ARG 38 1HH1 ARG 38 -4.998 11.498 6.013 288 HH12 ARG 38 2HH1 ARG 38 -5.463 10.121 6.889 289 HH21 ARG 38 1HH2 ARG 38 -7.767 8.844 4.543 290 HH22 ARG 38 2HH2 ARG 38 -7.075 8.648 6.080 291 H ARG 39 HN ARG 39 -4.169 9.866 -1.398 292 HA ARG 39 HA ARG 39 -2.780 8.345 -2.203 293 HB2 ARG 39 2HB ARG 39 -0.461 10.184 -1.566 294 HB3 ARG 39 1HB ARG 39 -0.546 8.960 -2.816 295 HG2 ARG 39 2HG ARG 39 -2.063 11.558 -2.746 296 HG3 ARG 39 1HG ARG 39 -0.692 11.165 -3.780 297 HD2 ARG 39 2HD ARG 39 -1.976 9.516 -4.944 298 HD3 ARG 39 1HD ARG 39 -3.314 9.688 -3.806 299 HE ARG 39 HE ARG 39 -2.527 12.074 -5.217 300 HH11 ARG 39 1HH1 ARG 39 -4.744 9.309 -5.119 301 HH12 ARG 39 2HH1 ARG 39 -5.941 10.047 -6.090 302 HH21 ARG 39 1HH2 ARG 39 -4.209 13.090 -6.523 303 HH22 ARG 39 2HH2 ARG 39 -5.624 12.229 -6.885 304 H ARG 40 HN ARG 40 -3.368 7.039 -0.525 305 HA ARG 40 HA ARG 40 -1.302 6.623 1.496 306 HB2 ARG 40 2HB ARG 40 -4.173 5.702 1.347 307 HB3 ARG 40 1HB ARG 40 -3.059 5.130 2.571 308 HG2 ARG 40 2HG ARG 40 -2.777 7.452 3.340 309 HG3 ARG 40 1HG ARG 40 -3.967 7.978 2.155 310 HD2 ARG 40 2HD ARG 40 -5.059 7.734 4.298 311 HD3 ARG 40 1HD ARG 40 -5.603 6.447 3.222 312 HE ARG 40 HE ARG 40 -3.380 5.720 4.867 313 HH11 ARG 40 1HH1 ARG 40 -6.949 5.881 4.764 314 HH12 ARG 40 2HH1 ARG 40 -7.167 4.688 5.931 315 HH21 ARG 40 1HH2 ARG 40 -3.708 4.083 6.495 316 HH22 ARG 40 2HH2 ARG 40 -5.278 3.602 6.930 317 H CYS 41 HN CYS 41 -0.532 4.497 1.804 318 HA CYS 41 HA CYS 41 -0.287 3.075 -0.686 319 HB2 CYS 41 2HB CYS 41 1.717 3.505 0.658 320 HB3 CYS 41 1HB CYS 41 1.000 2.669 2.024 321 H PHE 42 HN PHE 42 -1.348 1.332 -1.166 322 HA PHE 42 HA PHE 42 -2.758 -0.118 0.936 323 HB2 PHE 42 2HB PHE 42 -3.610 0.422 -1.922 324 HB3 PHE 42 1HB PHE 42 -4.324 -0.793 -0.863 325 HD1 PHE 42 1HD PHE 42 -5.996 -0.246 0.631 326 HD2 PHE 42 2HD PHE 42 -3.755 2.845 -1.208 327 HE1 PHE 42 1HE PHE 42 -7.544 1.411 1.570 328 HE2 PHE 42 2HE PHE 42 -5.301 4.534 -0.266 329 HZ PHE 42 HZ PHE 42 -7.202 3.810 1.120 330 H CYS 43 HN CYS 43 -2.158 -2.091 1.117 331 HA CYS 43 HA CYS 43 -0.173 -3.171 -0.632 332 HB2 CYS 43 2HB CYS 43 -1.502 -4.265 1.838 333 HB3 CYS 43 1HB CYS 43 -0.103 -4.964 1.028 334 H THR 44 HN THR 44 -0.604 -4.428 -2.247 335 HA THR 44 HA THR 44 -3.280 -5.241 -2.837 336 HB THR 44 HB THR 44 -0.713 -5.873 -4.310 337 HG1 THR 44 1HG THR 44 -2.079 -3.540 -3.918 338 HG21 THR 44 1HG2 THR 44 -2.696 -7.199 -4.986 339 HG22 THR 44 2HG2 THR 44 -2.216 -6.067 -6.253 340 HG23 THR 44 3HG2 THR 44 -3.598 -5.701 -5.220 341 H THR 45 HN THR 45 -4.093 -7.061 -2.134 342 HA THR 45 HA THR 45 -2.338 -9.337 -1.690 343 HB THR 45 HB THR 45 -2.873 -8.303 0.468 344 HG1 THR 45 1HG THR 45 -2.875 -10.692 0.194 345 HG21 THR 45 1HG2 THR 45 -5.764 -8.789 -0.222 346 HG22 THR 45 2HG2 THR 45 -4.980 -7.213 -0.144 347 HG23 THR 45 3HG2 THR 45 -5.161 -8.179 1.320 348 H HIS 46 HN HIS 46 -3.620 -11.356 -1.701 349 HA HIS 46 HA HIS 46 -5.464 -11.260 -3.938 350 HB2 HIS 46 2HB HIS 46 -4.238 -13.600 -2.465 351 HB3 HIS 46 1HB HIS 46 -5.275 -13.732 -3.876 352 HD1 HIS 46 1HD HIS 46 -4.089 -13.758 -6.098 353 HD2 HIS 46 2HD HIS 46 -1.719 -12.234 -3.041 354 HE1 HIS 46 1HE HIS 46 -1.773 -13.462 -7.072 355 H CYS 47 HN CYS 47 -7.583 -11.849 -3.773 356 HA CYS 47 HA CYS 47 -8.659 -11.699 -1.091 357 HB2 CYS 47 2HB CYS 47 -10.162 -11.965 -3.690 358 HB3 CYS 47 1HB CYS 47 -10.773 -11.366 -2.151 Start of MODEL 16 1 H1 ARG 1 1HT ARG 1 -8.661 -10.548 -10.003 2 H2 ARG 1 2HT ARG 1 -9.936 -9.717 -10.728 3 H3 ARG 1 3HT ARG 1 -10.033 -10.212 -9.106 4 HA ARG 1 HA ARG 1 -8.041 -8.299 -10.137 5 HB2 ARG 1 2HB ARG 1 -9.276 -6.586 -8.884 6 HB3 ARG 1 1HB ARG 1 -10.289 -7.261 -10.143 7 HG2 ARG 1 2HG ARG 1 -11.496 -8.577 -8.510 8 HG3 ARG 1 1HG ARG 1 -10.396 -8.054 -7.234 9 HD2 ARG 1 2HD ARG 1 -11.106 -5.736 -7.598 10 HD3 ARG 1 1HD ARG 1 -12.227 -6.287 -8.839 11 HE ARG 1 HE ARG 1 -13.206 -7.661 -6.921 12 HH11 ARG 1 1HH1 ARG 1 -11.826 -4.415 -6.559 13 HH12 ARG 1 2HH1 ARG 1 -12.768 -3.992 -5.230 14 HH21 ARG 1 1HH2 ARG 1 -14.552 -7.068 -5.103 15 HH22 ARG 1 2HH2 ARG 1 -14.422 -5.543 -4.391 16 H THR 2 HN THR 2 -6.926 -7.236 -8.305 17 HA THR 2 HA THR 2 -6.616 -9.111 -6.126 18 HB THR 2 HB THR 2 -4.727 -7.547 -5.475 19 HG1 THR 2 1HG THR 2 -4.566 -6.467 -8.000 20 HG21 THR 2 1HG2 THR 2 -3.194 -8.311 -7.242 21 HG22 THR 2 2HG2 THR 2 -4.575 -8.748 -8.245 22 HG23 THR 2 3HG2 THR 2 -4.278 -9.606 -6.732 23 H CYS 3 HN CYS 3 -6.422 -7.989 -3.909 24 HA CYS 3 HA CYS 3 -8.353 -5.846 -3.765 25 HB2 CYS 3 2HB CYS 3 -8.186 -8.357 -2.074 26 HB3 CYS 3 1HB CYS 3 -9.041 -6.915 -1.538 27 H GLN 4 HN GLN 4 -7.968 -4.459 -1.883 28 HA GLN 4 HA GLN 4 -5.107 -4.556 -1.224 29 HB2 GLN 4 2HB GLN 4 -6.648 -2.023 -1.808 30 HB3 GLN 4 1HB GLN 4 -4.932 -2.218 -1.444 31 HG2 GLN 4 2HG GLN 4 -4.547 -3.359 -3.512 32 HG3 GLN 4 1HG GLN 4 -6.270 -3.353 -3.881 33 HE21 GLN 4 1HE2 GLN 4 -4.142 -2.290 -5.475 34 HE22 GLN 4 2HE2 GLN 4 -4.471 -0.604 -5.654 35 H SER 5 HN SER 5 -4.461 -3.663 0.709 36 HA SER 5 HA SER 5 -6.505 -2.968 2.686 37 HB2 SER 5 2HB SER 5 -5.865 -5.419 2.802 38 HB3 SER 5 1HB SER 5 -4.212 -4.911 3.115 39 HG SER 5 HG SER 5 -4.730 -4.276 5.072 40 H GLN 6 HN GLN 6 -5.800 -1.096 3.715 41 HA GLN 6 HA GLN 6 -3.275 -0.000 2.919 42 HB2 GLN 6 2HB GLN 6 -3.772 1.928 4.252 43 HB3 GLN 6 1HB GLN 6 -5.179 1.488 3.303 44 HG2 GLN 6 2HG GLN 6 -6.223 0.506 5.260 45 HG3 GLN 6 1HG GLN 6 -4.784 0.840 6.215 46 HE21 GLN 6 1HE2 GLN 6 -4.347 3.480 5.005 47 HE22 GLN 6 2HE2 GLN 6 -5.575 4.485 5.665 48 H SER 7 HN SER 7 -1.470 0.408 3.997 49 HA SER 7 HA SER 7 -1.012 -1.250 6.333 50 HB2 SER 7 2HB SER 7 0.566 -1.325 4.378 51 HB3 SER 7 1HB SER 7 0.971 0.360 4.701 52 HG SER 7 HG SER 7 1.828 -1.892 5.885 53 H HIS 8 HN HIS 8 -0.314 -0.394 8.253 54 HA HIS 8 HA HIS 8 -1.132 2.383 8.698 55 HB2 HIS 8 2HB HIS 8 -0.738 0.039 10.476 56 HB3 HIS 8 1HB HIS 8 -1.024 1.657 11.121 57 HD1 HIS 8 1HD HIS 8 -3.467 2.203 11.486 58 HD2 HIS 8 2HD HIS 8 -2.936 -0.831 8.703 59 HE1 HIS 8 1HE HIS 8 -5.790 1.474 10.808 60 H ARG 9 HN ARG 9 1.575 0.285 8.929 61 HA ARG 9 HA ARG 9 3.191 2.147 10.434 62 HB2 ARG 9 2HB ARG 9 5.021 0.509 9.999 63 HB3 ARG 9 1HB ARG 9 3.602 -0.188 10.773 64 HG2 ARG 9 2HG ARG 9 2.840 -1.004 8.600 65 HG3 ARG 9 1HG ARG 9 4.292 -0.334 7.866 66 HD2 ARG 9 2HD ARG 9 4.293 -2.369 10.062 67 HD3 ARG 9 1HD ARG 9 4.342 -2.773 8.354 68 HE ARG 9 HE ARG 9 6.425 -0.973 9.053 69 HH11 ARG 9 1HH1 ARG 9 5.403 -4.349 9.149 70 HH12 ARG 9 2HH1 ARG 9 6.976 -4.990 9.329 71 HH21 ARG 9 1HH2 ARG 9 8.589 -1.820 9.218 72 HH22 ARG 9 2HH2 ARG 9 8.856 -3.499 9.375 73 H PHE 10 HN PHE 10 2.118 2.247 7.417 74 HA PHE 10 HA PHE 10 4.558 3.087 6.140 75 HB2 PHE 10 2HB PHE 10 2.834 1.923 4.783 76 HB3 PHE 10 1HB PHE 10 1.703 3.231 5.119 77 HD1 PHE 10 1HD PHE 10 4.838 2.355 3.400 78 HD2 PHE 10 2HD PHE 10 1.814 5.300 3.928 79 HE1 PHE 10 1HE PHE 10 5.740 3.611 1.508 80 HE2 PHE 10 2HE PHE 10 2.707 6.557 2.027 81 HZ PHE 10 HZ PHE 10 4.674 5.716 0.806 82 H ARG 11 HN ARG 11 5.140 5.115 5.784 83 HA ARG 11 HA ARG 11 3.403 7.252 6.569 84 HB2 ARG 11 2HB ARG 11 5.425 8.278 7.781 85 HB3 ARG 11 1HB ARG 11 4.488 7.045 8.612 86 HG2 ARG 11 2HG ARG 11 6.175 5.377 7.975 87 HG3 ARG 11 1HG ARG 11 7.120 6.648 7.207 88 HD2 ARG 11 2HD ARG 11 7.382 7.791 9.305 89 HD3 ARG 11 1HD ARG 11 6.301 6.647 10.097 90 HE ARG 11 HE ARG 11 8.190 5.012 9.198 91 HH11 ARG 11 1HH1 ARG 11 8.596 8.119 10.846 92 HH12 ARG 11 2HH1 ARG 11 9.983 7.645 11.694 93 HH21 ARG 11 1HH2 ARG 11 10.079 4.356 10.370 94 HH22 ARG 11 2HH2 ARG 11 10.844 5.458 11.428 95 H GLY 12 HN GLY 12 3.634 9.014 5.344 96 HA2 GLY 12 2HA GLY 12 4.908 10.429 3.896 97 HA3 GLY 12 1HA GLY 12 5.805 9.003 3.369 98 HA PRO 13 HA PRO 13 2.275 9.421 0.473 99 HB2 PRO 13 2HB PRO 13 3.560 10.119 -1.770 100 HB3 PRO 13 1HB PRO 13 3.133 11.314 -0.541 101 HG2 PRO 13 2HG PRO 13 5.780 10.136 -1.184 102 HG3 PRO 13 1HG PRO 13 5.391 11.731 -0.524 103 HD2 PRO 13 2HD PRO 13 6.258 9.439 0.937 104 HD3 PRO 13 1HD PRO 13 5.679 10.979 1.596 105 H CYS 14 HN CYS 14 1.562 7.682 -0.690 106 HA CYS 14 HA CYS 14 3.120 5.339 -0.988 107 HB2 CYS 14 2HB CYS 14 1.168 4.474 -2.240 108 HB3 CYS 14 1HB CYS 14 0.715 5.226 -0.711 109 H LEU 15 HN LEU 15 3.175 8.119 -2.755 110 HA LEU 15 HA LEU 15 3.562 7.246 -5.414 111 HB2 LEU 15 2HB LEU 15 4.677 9.673 -4.001 112 HB3 LEU 15 1HB LEU 15 4.621 9.445 -5.738 113 HG LEU 15 HG LEU 15 2.208 9.698 -3.939 114 HD11 LEU 15 1HD1 LEU 15 3.426 11.656 -5.866 115 HD12 LEU 15 2HD1 LEU 15 3.422 11.787 -4.106 116 HD13 LEU 15 3HD1 LEU 15 1.905 11.871 -5.001 117 HD21 LEU 15 1HD2 LEU 15 1.744 8.316 -5.896 118 HD22 LEU 15 2HD2 LEU 15 2.428 9.553 -6.948 119 HD23 LEU 15 3HD2 LEU 15 0.952 9.884 -6.045 120 H ARG 16 HN ARG 16 5.494 7.219 -2.572 121 HA ARG 16 HA ARG 16 7.874 6.405 -3.973 122 HB2 ARG 16 2HB ARG 16 7.112 6.324 -1.039 123 HB3 ARG 16 1HB ARG 16 8.667 5.801 -1.658 124 HG2 ARG 16 2HG ARG 16 7.600 8.601 -1.953 125 HG3 ARG 16 1HG ARG 16 8.627 8.074 -0.623 126 HD2 ARG 16 2HD ARG 16 9.973 9.165 -2.293 127 HD3 ARG 16 1HD ARG 16 10.378 7.451 -2.255 128 HE ARG 16 HE ARG 16 8.429 8.288 -4.220 129 HH11 ARG 16 1HH1 ARG 16 11.854 7.669 -3.608 130 HH12 ARG 16 2HH1 ARG 16 12.258 7.363 -5.234 131 HH21 ARG 16 1HH2 ARG 16 8.971 7.834 -6.474 132 HH22 ARG 16 2HH2 ARG 16 10.554 7.407 -6.907 133 H ARG 17 HN ARG 17 6.722 4.897 -5.198 134 HA ARG 17 HA ARG 17 5.112 2.875 -4.190 135 HB2 ARG 17 2HB ARG 17 5.355 1.782 -6.395 136 HB3 ARG 17 1HB ARG 17 4.929 3.482 -6.476 137 HG2 ARG 17 2HG ARG 17 7.256 4.026 -7.010 138 HG3 ARG 17 1HG ARG 17 7.647 2.304 -6.972 139 HD2 ARG 17 2HD ARG 17 5.652 3.624 -8.805 140 HD3 ARG 17 1HD ARG 17 7.267 3.092 -9.253 141 HE ARG 17 HE ARG 17 6.267 0.835 -8.341 142 HH11 ARG 17 1HH1 ARG 17 4.616 3.202 -10.396 143 HH12 ARG 17 2HH1 ARG 17 3.812 2.015 -11.327 144 HH21 ARG 17 1HH2 ARG 17 5.163 -0.756 -9.610 145 HH22 ARG 17 2HH2 ARG 17 4.124 -0.267 -10.880 146 H SER 18 HN SER 18 8.568 2.899 -4.649 147 HA SER 18 HA SER 18 8.840 0.141 -4.155 148 HB2 SER 18 2HB SER 18 10.864 2.369 -3.866 149 HB3 SER 18 1HB SER 18 11.229 0.642 -3.853 150 HG SER 18 HG SER 18 11.165 0.632 -5.878 151 H ASN 19 HN ASN 19 8.899 3.011 -2.027 152 HA ASN 19 HA ASN 19 9.523 1.519 0.323 153 HB2 ASN 19 2HB ASN 19 8.052 4.164 0.114 154 HB3 ASN 19 1HB ASN 19 8.557 3.427 1.624 155 HD21 ASN 19 1HD2 ASN 19 9.258 5.957 0.765 156 HD22 ASN 19 2HD2 ASN 19 10.969 6.007 0.525 157 H CYS 20 HN CYS 20 6.563 2.504 -1.219 158 HA CYS 20 HA CYS 20 4.706 1.572 0.643 159 HB2 CYS 20 2HB CYS 20 4.208 3.010 -1.349 160 HB3 CYS 20 1HB CYS 20 4.489 1.628 -2.388 161 H ALA 21 HN ALA 21 6.178 -0.092 -2.163 162 HA ALA 21 HA ALA 21 4.990 -2.588 -1.720 163 HB1 ALA 21 1HB ALA 21 6.052 -1.948 -3.840 164 HB2 ALA 21 2HB ALA 21 6.697 -3.469 -3.220 165 HB3 ALA 21 3HB ALA 21 7.629 -1.981 -3.053 166 H ASN 22 HN ASN 22 8.002 -1.187 -0.542 167 HA ASN 22 HA ASN 22 9.027 -3.516 0.674 168 HB2 ASN 22 2HB ASN 22 9.588 -0.610 1.261 169 HB3 ASN 22 1HB ASN 22 10.406 -1.918 2.096 170 HD21 ASN 22 1HD2 ASN 22 11.549 0.114 0.461 171 HD22 ASN 22 2HD2 ASN 22 12.353 -0.686 -0.836 172 H VAL 23 HN VAL 23 7.040 -0.914 2.032 173 HA VAL 23 HA VAL 23 7.003 -2.008 4.634 174 HB VAL 23 HB VAL 23 4.988 -0.141 3.310 175 HG11 VAL 23 1HG1 VAL 23 3.937 -1.281 5.216 176 HG12 VAL 23 2HG1 VAL 23 4.251 0.396 5.633 177 HG13 VAL 23 3HG1 VAL 23 5.315 -0.876 6.222 178 HG21 VAL 23 1HG2 VAL 23 7.306 0.364 5.165 179 HG22 VAL 23 2HG2 VAL 23 6.128 1.577 4.707 180 HG23 VAL 23 3HG2 VAL 23 7.182 0.865 3.476 181 H CYS 24 HN CYS 24 4.791 -2.314 1.898 182 HA CYS 24 HA CYS 24 3.032 -4.049 3.177 183 HB2 CYS 24 2HB CYS 24 3.657 -3.676 0.256 184 HB3 CYS 24 1HB CYS 24 2.325 -4.666 0.847 185 H ARG 25 HN ARG 25 6.013 -4.691 1.395 186 HA ARG 25 HA ARG 25 5.861 -7.466 1.378 187 HB2 ARG 25 2HB ARG 25 7.547 -6.309 0.070 188 HB3 ARG 25 1HB ARG 25 8.280 -5.653 1.521 189 HG2 ARG 25 2HG ARG 25 9.588 -7.495 0.549 190 HG3 ARG 25 1HG ARG 25 9.037 -7.853 2.183 191 HD2 ARG 25 2HD ARG 25 8.770 -9.804 0.757 192 HD3 ARG 25 1HD ARG 25 7.204 -9.182 1.264 193 HE ARG 25 HE ARG 25 8.074 -8.192 -1.276 194 HH11 ARG 25 1HH1 ARG 25 6.302 -10.793 0.369 195 HH12 ARG 25 2HH1 ARG 25 5.502 -11.331 -1.033 196 HH21 ARG 25 1HH2 ARG 25 7.007 -8.917 -3.173 197 HH22 ARG 25 2HH2 ARG 25 5.933 -10.245 -3.140 198 H THR 26 HN THR 26 7.245 -5.291 3.847 199 HA THR 26 HA THR 26 7.869 -7.414 5.572 200 HB THR 26 HB THR 26 7.915 -5.582 7.392 201 HG1 THR 26 1HG THR 26 6.587 -4.161 5.705 202 HG21 THR 26 1HG2 THR 26 10.022 -4.658 6.530 203 HG22 THR 26 2HG2 THR 26 9.636 -5.290 4.929 204 HG23 THR 26 3HG2 THR 26 9.921 -6.399 6.270 205 H GLU 27 HN GLU 27 4.893 -5.742 5.000 206 HA GLU 27 HA GLU 27 3.597 -6.823 7.312 207 HB2 GLU 27 2HB GLU 27 2.514 -5.470 4.855 208 HB3 GLU 27 1HB GLU 27 1.496 -6.034 6.176 209 HG2 GLU 27 2HG GLU 27 3.685 -3.985 6.359 210 HG3 GLU 27 1HG GLU 27 1.947 -3.676 6.387 211 H GLY 28 HN GLY 28 4.497 -8.152 4.370 212 HA2 GLY 28 2HA GLY 28 4.299 -10.525 4.101 213 HA3 GLY 28 1HA GLY 28 2.779 -10.452 4.964 214 H PHE 29 HN PHE 29 3.172 -7.985 2.645 215 HA PHE 29 HA PHE 29 1.357 -9.432 0.864 216 HB2 PHE 29 2HB PHE 29 1.583 -6.476 1.441 217 HB3 PHE 29 1HB PHE 29 0.522 -7.164 0.211 218 HD1 PHE 29 1HD PHE 29 -1.137 -8.948 1.039 219 HD2 PHE 29 2HD PHE 29 0.794 -6.157 3.588 220 HE1 PHE 29 1HE PHE 29 -2.880 -9.290 2.705 221 HE2 PHE 29 2HE PHE 29 -0.951 -6.486 5.283 222 HZ PHE 29 HZ PHE 29 -2.802 -8.058 4.852 223 HA PRO 30 HA PRO 30 4.294 -9.254 -2.431 224 HB2 PRO 30 2HB PRO 30 2.635 -8.660 -4.556 225 HB3 PRO 30 1HB PRO 30 2.855 -10.272 -3.869 226 HG2 PRO 30 2HG PRO 30 0.697 -8.270 -3.345 227 HG3 PRO 30 1HG PRO 30 0.562 -10.023 -3.577 228 HD2 PRO 30 2HD PRO 30 0.445 -8.967 -1.137 229 HD3 PRO 30 1HD PRO 30 1.317 -10.485 -1.418 230 H GLY 31 HN GLY 31 2.097 -6.459 -2.213 231 HA2 GLY 31 2HA GLY 31 4.203 -4.619 -2.561 232 HA3 GLY 31 1HA GLY 31 3.324 -4.804 -4.075 233 H GLY 32 HN GLY 32 2.979 -2.409 -3.496 234 HA2 GLY 32 2HA GLY 32 0.383 -2.233 -2.226 235 HA3 GLY 32 1HA GLY 32 1.680 -1.228 -1.575 236 H ARG 33 HN ARG 33 -0.805 -0.475 -2.914 237 HA ARG 33 HA ARG 33 0.341 1.088 -5.140 238 HB2 ARG 33 2HB ARG 33 -2.470 -0.050 -5.081 239 HB3 ARG 33 1HB ARG 33 -1.741 0.870 -6.382 240 HG2 ARG 33 2HG ARG 33 -0.971 -1.911 -5.506 241 HG3 ARG 33 1HG ARG 33 -1.878 -1.481 -6.953 242 HD2 ARG 33 2HD ARG 33 0.064 -0.278 -7.818 243 HD3 ARG 33 1HD ARG 33 0.939 -0.653 -6.331 244 HE ARG 33 HE ARG 33 -0.059 -2.944 -7.697 245 HH11 ARG 33 1HH1 ARG 33 2.669 -0.700 -7.449 246 HH12 ARG 33 2HH1 ARG 33 3.811 -1.799 -8.074 247 HH21 ARG 33 1HH2 ARG 33 1.530 -4.458 -8.594 248 HH22 ARG 33 2HH2 ARG 33 3.142 -3.965 -8.778 249 H CYS 34 HN CYS 34 -1.218 2.967 -5.622 250 HA CYS 34 HA CYS 34 -1.916 4.214 -3.104 251 HB2 CYS 34 2HB CYS 34 -1.772 5.276 -5.924 252 HB3 CYS 34 1HB CYS 34 -2.307 6.225 -4.550 253 H ARG 35 HN ARG 35 -3.893 4.292 -2.377 254 HA ARG 35 HA ARG 35 -6.111 4.265 -4.301 255 HB2 ARG 35 2HB ARG 35 -6.127 2.031 -3.322 256 HB3 ARG 35 1HB ARG 35 -6.058 2.709 -1.698 257 HG2 ARG 35 2HG ARG 35 -8.265 3.782 -2.107 258 HG3 ARG 35 1HG ARG 35 -8.338 2.955 -3.655 259 HD2 ARG 35 2HD ARG 35 -8.113 1.588 -0.983 260 HD3 ARG 35 1HD ARG 35 -9.623 1.853 -1.848 261 HE ARG 35 HE ARG 35 -7.679 0.457 -3.412 262 HH11 ARG 35 1HH1 ARG 35 -10.035 0.016 -0.830 263 HH12 ARG 35 2HH1 ARG 35 -10.381 -1.613 -1.244 264 HH21 ARG 35 1HH2 ARG 35 -8.217 -1.748 -4.011 265 HH22 ARG 35 2HH2 ARG 35 -9.376 -2.600 -3.101 266 H GLY 36 HN GLY 36 -5.314 4.810 -0.901 267 HA2 GLY 36 2HA GLY 36 -7.482 6.533 -0.374 268 HA3 GLY 36 1HA GLY 36 -6.018 6.417 0.590 269 H PHE 37 HN PHE 37 -7.742 8.662 -0.495 270 HA PHE 37 HA PHE 37 -6.435 10.151 -2.446 271 HB2 PHE 37 2HB PHE 37 -8.726 10.616 -1.769 272 HB3 PHE 37 1HB PHE 37 -8.183 11.096 -0.165 273 HD1 PHE 37 1HD PHE 37 -7.613 13.330 0.274 274 HD2 PHE 37 2HD PHE 37 -7.949 12.002 -3.762 275 HE1 PHE 37 1HE PHE 37 -7.368 15.645 -0.508 276 HE2 PHE 37 2HE PHE 37 -7.708 14.316 -4.543 277 HZ PHE 37 HZ PHE 37 -7.415 16.142 -2.919 278 H ARG 38 HN ARG 38 -5.806 9.907 0.971 279 HA ARG 38 HA ARG 38 -3.954 12.151 0.983 280 HB2 ARG 38 2HB ARG 38 -4.582 10.093 3.114 281 HB3 ARG 38 1HB ARG 38 -3.583 11.519 3.349 282 HG2 ARG 38 2HG ARG 38 -6.511 11.525 2.633 283 HG3 ARG 38 1HG ARG 38 -5.838 11.844 4.231 284 HD2 ARG 38 2HD ARG 38 -4.704 13.808 3.398 285 HD3 ARG 38 1HD ARG 38 -5.255 13.480 1.755 286 HE ARG 38 HE ARG 38 -7.433 13.652 3.533 287 HH11 ARG 38 1HH1 ARG 38 -5.102 15.777 1.909 288 HH12 ARG 38 2HH1 ARG 38 -6.181 17.097 1.822 289 HH21 ARG 38 1HH2 ARG 38 -8.863 15.411 3.395 290 HH22 ARG 38 2HH2 ARG 38 -8.390 16.881 2.676 291 H ARG 39 HN ARG 39 -3.497 9.978 -0.785 292 HA ARG 39 HA ARG 39 -1.981 8.536 -1.589 293 HB2 ARG 39 2HB ARG 39 -0.109 10.467 -0.214 294 HB3 ARG 39 1HB ARG 39 0.417 9.229 -1.345 295 HG2 ARG 39 2HG ARG 39 -1.418 11.543 -1.945 296 HG3 ARG 39 1HG ARG 39 0.257 11.354 -2.473 297 HD2 ARG 39 2HD ARG 39 -0.404 9.321 -3.721 298 HD3 ARG 39 1HD ARG 39 -2.073 9.597 -3.227 299 HE ARG 39 HE ARG 39 -1.070 11.883 -4.476 300 HH11 ARG 39 1HH1 ARG 39 -2.270 8.626 -5.209 301 HH12 ARG 39 2HH1 ARG 39 -2.606 8.970 -6.843 302 HH21 ARG 39 1HH2 ARG 39 -1.618 12.355 -6.688 303 HH22 ARG 39 2HH2 ARG 39 -2.231 11.131 -7.696 304 H ARG 40 HN ARG 40 -3.112 7.287 0.079 305 HA ARG 40 HA ARG 40 -1.381 6.309 2.196 306 HB2 ARG 40 2HB ARG 40 -4.201 5.609 1.437 307 HB3 ARG 40 1HB ARG 40 -3.369 5.005 2.858 308 HG2 ARG 40 2HG ARG 40 -4.000 7.909 2.322 309 HG3 ARG 40 1HG ARG 40 -4.961 6.839 3.335 310 HD2 ARG 40 2HD ARG 40 -3.595 8.101 4.815 311 HD3 ARG 40 1HD ARG 40 -2.902 6.490 4.720 312 HE ARG 40 HE ARG 40 -1.702 8.402 2.933 313 HH11 ARG 40 1HH1 ARG 40 -1.586 6.953 6.190 314 HH12 ARG 40 2HH1 ARG 40 -0.011 7.484 6.515 315 HH21 ARG 40 1HH2 ARG 40 0.539 9.102 3.408 316 HH22 ARG 40 2HH2 ARG 40 1.178 8.703 4.920 317 H CYS 41 HN CYS 41 -0.463 4.346 2.199 318 HA CYS 41 HA CYS 41 -0.185 3.015 -0.336 319 HB2 CYS 41 2HB CYS 41 1.792 3.437 1.050 320 HB3 CYS 41 1HB CYS 41 1.093 2.493 2.355 321 H PHE 42 HN PHE 42 -1.619 1.633 -0.914 322 HA PHE 42 HA PHE 42 -2.904 -0.037 1.080 323 HB2 PHE 42 2HB PHE 42 -3.707 1.001 -1.553 324 HB3 PHE 42 1HB PHE 42 -4.397 -0.519 -1.031 325 HD1 PHE 42 1HD PHE 42 -6.257 -0.553 0.305 326 HD2 PHE 42 2HD PHE 42 -3.947 3.006 0.101 327 HE1 PHE 42 1HE PHE 42 -7.956 0.606 1.624 328 HE2 PHE 42 2HE PHE 42 -5.678 4.190 1.433 329 HZ PHE 42 HZ PHE 42 -7.670 2.985 2.192 330 H CYS 43 HN CYS 43 -2.004 -1.761 1.340 331 HA CYS 43 HA CYS 43 -0.152 -2.989 -0.386 332 HB2 CYS 43 2HB CYS 43 -1.565 -4.043 2.059 333 HB3 CYS 43 1HB CYS 43 -0.191 -4.812 1.268 334 H THR 44 HN THR 44 -0.481 -4.297 -1.931 335 HA THR 44 HA THR 44 -3.131 -5.059 -2.702 336 HB THR 44 HB THR 44 -0.419 -5.585 -3.911 337 HG1 THR 44 1HG THR 44 -1.783 -3.376 -3.646 338 HG21 THR 44 1HG2 THR 44 -3.193 -5.790 -5.114 339 HG22 THR 44 2HG2 THR 44 -2.170 -7.151 -4.673 340 HG23 THR 44 3HG2 THR 44 -1.673 -6.069 -5.970 341 H THR 45 HN THR 45 -3.973 -7.034 -2.288 342 HA THR 45 HA THR 45 -2.096 -9.144 -1.699 343 HB THR 45 HB THR 45 -3.114 -8.409 0.425 344 HG1 THR 45 1HG THR 45 -4.321 -10.644 0.664 345 HG21 THR 45 1HG2 THR 45 -5.282 -7.589 -0.387 346 HG22 THR 45 2HG2 THR 45 -5.513 -8.802 0.874 347 HG23 THR 45 3HG2 THR 45 -5.747 -9.234 -0.820 348 H HIS 46 HN HIS 46 -2.789 -11.127 -2.269 349 HA HIS 46 HA HIS 46 -4.288 -11.214 -4.693 350 HB2 HIS 46 2HB HIS 46 -3.217 -13.490 -2.985 351 HB3 HIS 46 1HB HIS 46 -3.830 -13.653 -4.629 352 HD1 HIS 46 1HD HIS 46 -0.776 -12.785 -2.731 353 HD2 HIS 46 2HD HIS 46 -2.193 -12.403 -6.612 354 HE1 HIS 46 1HE HIS 46 1.227 -12.202 -4.146 355 H CYS 47 HN CYS 47 -6.366 -11.271 -4.792 356 HA CYS 47 HA CYS 47 -7.848 -11.433 -2.334 357 HB2 CYS 47 2HB CYS 47 -8.091 -9.649 -4.178 358 HB3 CYS 47 1HB CYS 47 -8.973 -10.883 -5.066 Start of MODEL 17 1 H1 ARG 1 1HT ARG 1 -9.742 -12.429 -6.368 2 H2 ARG 1 2HT ARG 1 -8.716 -12.324 -7.671 3 H3 ARG 1 3HT ARG 1 -10.388 -12.390 -7.931 4 HA ARG 1 HA ARG 1 -9.552 -10.133 -8.196 5 HB2 ARG 1 2HB ARG 1 -11.161 -10.619 -5.699 6 HB3 ARG 1 1HB ARG 1 -10.828 -9.020 -6.327 7 HG2 ARG 1 2HG ARG 1 -12.024 -9.594 -8.382 8 HG3 ARG 1 1HG ARG 1 -12.372 -11.192 -7.717 9 HD2 ARG 1 2HD ARG 1 -14.223 -9.544 -7.463 10 HD3 ARG 1 1HD ARG 1 -13.677 -10.249 -5.938 11 HE ARG 1 HE ARG 1 -12.330 -8.135 -5.721 12 HH11 ARG 1 1HH1 ARG 1 -15.486 -8.191 -7.356 13 HH12 ARG 1 2HH1 ARG 1 -15.803 -6.550 -7.115 14 HH21 ARG 1 1HH2 ARG 1 -12.768 -5.866 -5.352 15 HH22 ARG 1 2HH2 ARG 1 -14.185 -5.167 -5.976 16 H THR 2 HN THR 2 -8.543 -8.321 -7.245 17 HA THR 2 HA THR 2 -6.698 -9.079 -5.169 18 HB THR 2 HB THR 2 -5.620 -8.033 -7.058 19 HG1 THR 2 1HG THR 2 -4.875 -7.530 -4.915 20 HG21 THR 2 1HG2 THR 2 -6.047 -5.682 -7.699 21 HG22 THR 2 2HG2 THR 2 -7.389 -5.632 -6.555 22 HG23 THR 2 3HG2 THR 2 -7.466 -6.697 -7.957 23 H CYS 3 HN CYS 3 -6.382 -7.668 -3.529 24 HA CYS 3 HA CYS 3 -8.721 -6.143 -2.669 25 HB2 CYS 3 2HB CYS 3 -7.242 -8.239 -1.039 26 HB3 CYS 3 1HB CYS 3 -8.560 -7.236 -0.442 27 H GLN 4 HN GLN 4 -8.119 -4.305 -1.615 28 HA GLN 4 HA GLN 4 -5.243 -3.960 -1.286 29 HB2 GLN 4 2HB GLN 4 -7.339 -2.046 -2.275 30 HB3 GLN 4 1HB GLN 4 -5.750 -1.495 -1.774 31 HG2 GLN 4 2HG GLN 4 -4.686 -2.775 -3.443 32 HG3 GLN 4 1HG GLN 4 -6.184 -3.607 -3.870 33 HE21 GLN 4 1HE2 GLN 4 -4.396 -2.144 -5.573 34 HE22 GLN 4 2HE2 GLN 4 -5.323 -0.878 -6.289 35 H SER 5 HN SER 5 -4.612 -3.692 0.647 36 HA SER 5 HA SER 5 -6.513 -2.710 2.676 37 HB2 SER 5 2HB SER 5 -5.929 -5.121 2.930 38 HB3 SER 5 1HB SER 5 -4.224 -4.691 2.992 39 HG SER 5 HG SER 5 -4.610 -3.583 4.898 40 H GLN 6 HN GLN 6 -5.856 -0.906 3.741 41 HA GLN 6 HA GLN 6 -3.686 0.626 2.900 42 HB2 GLN 6 2HB GLN 6 -5.587 1.598 4.098 43 HB3 GLN 6 1HB GLN 6 -5.134 0.717 5.551 44 HG2 GLN 6 2HG GLN 6 -2.955 1.970 5.513 45 HG3 GLN 6 1HG GLN 6 -3.628 2.961 4.228 46 HE21 GLN 6 1HE2 GLN 6 -3.433 4.820 5.536 47 HE22 GLN 6 2HE2 GLN 6 -4.528 5.107 6.837 48 H SER 7 HN SER 7 -1.596 0.655 3.401 49 HA SER 7 HA SER 7 -0.464 -1.272 5.144 50 HB2 SER 7 2HB SER 7 0.846 1.170 3.962 51 HB3 SER 7 1HB SER 7 1.591 -0.389 4.343 52 HG SER 7 HG SER 7 0.864 -1.188 2.489 53 H HIS 8 HN HIS 8 -1.140 -0.891 7.183 54 HA HIS 8 HA HIS 8 -1.681 1.605 8.328 55 HB2 HIS 8 2HB HIS 8 -1.110 -1.025 9.673 56 HB3 HIS 8 1HB HIS 8 -1.788 0.388 10.478 57 HD1 HIS 8 1HD HIS 8 -2.802 -2.644 8.725 58 HD2 HIS 8 2HD HIS 8 -4.366 1.172 9.274 59 HE1 HIS 8 1HE HIS 8 -5.244 -2.812 8.176 60 H ARG 9 HN ARG 9 1.171 -0.386 8.433 61 HA ARG 9 HA ARG 9 2.490 1.374 10.326 62 HB2 ARG 9 2HB ARG 9 4.423 -0.116 10.097 63 HB3 ARG 9 1HB ARG 9 2.946 -1.013 10.426 64 HG2 ARG 9 2HG ARG 9 2.758 -1.525 8.036 65 HG3 ARG 9 1HG ARG 9 4.272 -0.670 7.764 66 HD2 ARG 9 2HD ARG 9 3.946 -3.047 9.566 67 HD3 ARG 9 1HD ARG 9 4.472 -3.137 7.900 68 HE ARG 9 HE ARG 9 6.113 -1.375 9.427 69 HH11 ARG 9 1HH1 ARG 9 5.443 -4.803 8.773 70 HH12 ARG 9 2HH1 ARG 9 7.005 -5.344 9.125 71 HH21 ARG 9 1HH2 ARG 9 8.293 -2.076 9.908 72 HH22 ARG 9 2HH2 ARG 9 8.710 -3.729 9.779 73 H PHE 10 HN PHE 10 1.805 1.919 7.246 74 HA PHE 10 HA PHE 10 4.426 2.788 6.348 75 HB2 PHE 10 2HB PHE 10 2.785 1.840 4.729 76 HB3 PHE 10 1HB PHE 10 1.703 3.185 5.064 77 HD1 PHE 10 1HD PHE 10 4.888 2.199 3.550 78 HD2 PHE 10 2HD PHE 10 2.080 5.342 4.069 79 HE1 PHE 10 1HE PHE 10 6.014 3.478 1.822 80 HE2 PHE 10 2HE PHE 10 3.205 6.637 2.330 81 HZ PHE 10 HZ PHE 10 5.182 5.717 1.192 82 H ARG 11 HN ARG 11 5.062 4.908 6.175 83 HA ARG 11 HA ARG 11 3.272 6.905 7.290 84 HB2 ARG 11 2HB ARG 11 5.184 7.908 8.512 85 HB3 ARG 11 1HB ARG 11 4.690 6.339 9.123 86 HG2 ARG 11 2HG ARG 11 6.565 5.301 7.939 87 HG3 ARG 11 1HG ARG 11 7.071 6.897 7.373 88 HD2 ARG 11 2HD ARG 11 7.359 7.635 9.652 89 HD3 ARG 11 1HD ARG 11 6.768 6.088 10.242 90 HE ARG 11 HE ARG 11 9.040 5.829 8.529 91 HH11 ARG 11 1HH1 ARG 11 8.045 6.469 11.859 92 HH12 ARG 11 2HH1 ARG 11 9.496 5.936 12.547 93 HH21 ARG 11 1HH2 ARG 11 11.020 5.086 9.457 94 HH22 ARG 11 2HH2 ARG 11 11.234 5.100 11.155 95 H GLY 12 HN GLY 12 3.399 8.883 6.392 96 HA2 GLY 12 2HA GLY 12 4.329 10.571 5.047 97 HA3 GLY 12 1HA GLY 12 5.462 9.388 4.394 98 HA PRO 13 HA PRO 13 1.832 9.686 1.495 99 HB2 PRO 13 2HB PRO 13 3.058 10.814 -0.623 100 HB3 PRO 13 1HB PRO 13 2.336 11.792 0.656 101 HG2 PRO 13 2HG PRO 13 5.203 11.082 0.206 102 HG3 PRO 13 1HG PRO 13 4.504 12.626 0.726 103 HD2 PRO 13 2HD PRO 13 5.651 10.815 2.436 104 HD3 PRO 13 1HD PRO 13 4.393 11.966 2.922 105 H CYS 14 HN CYS 14 1.526 8.149 -0.190 106 HA CYS 14 HA CYS 14 3.500 6.083 -0.262 107 HB2 CYS 14 2HB CYS 14 1.927 4.823 -1.584 108 HB3 CYS 14 1HB CYS 14 1.062 5.619 -0.275 109 H LEU 15 HN LEU 15 3.742 8.858 -1.687 110 HA LEU 15 HA LEU 15 4.121 8.484 -4.443 111 HB2 LEU 15 2HB LEU 15 5.603 10.330 -2.573 112 HB3 LEU 15 1HB LEU 15 5.631 10.437 -4.319 113 HG LEU 15 HG LEU 15 3.210 10.863 -2.573 114 HD11 LEU 15 1HD1 LEU 15 4.935 12.800 -4.100 115 HD12 LEU 15 2HD1 LEU 15 4.808 12.662 -2.343 116 HD13 LEU 15 3HD1 LEU 15 3.422 13.199 -3.290 117 HD21 LEU 15 1HD2 LEU 15 2.132 11.640 -4.629 118 HD22 LEU 15 2HD2 LEU 15 2.600 9.946 -4.748 119 HD23 LEU 15 3HD2 LEU 15 3.565 11.188 -5.548 120 H ARG 16 HN ARG 16 6.053 7.705 -1.704 121 HA ARG 16 HA ARG 16 8.263 6.830 -3.345 122 HB2 ARG 16 2HB ARG 16 7.764 6.288 -0.407 123 HB3 ARG 16 1HB ARG 16 9.275 6.071 -1.272 124 HG2 ARG 16 2HG ARG 16 7.913 8.685 -0.681 125 HG3 ARG 16 1HG ARG 16 9.349 8.045 0.118 126 HD2 ARG 16 2HD ARG 16 10.563 8.142 -2.002 127 HD3 ARG 16 1HD ARG 16 9.120 8.777 -2.799 128 HE ARG 16 HE ARG 16 9.972 10.252 -0.508 129 HH11 ARG 16 1HH1 ARG 16 10.337 9.925 -4.018 130 HH12 ARG 16 2HH1 ARG 16 10.858 11.522 -4.260 131 HH21 ARG 16 1HH2 ARG 16 10.624 12.472 -0.839 132 HH22 ARG 16 2HH2 ARG 16 11.036 13.001 -2.412 133 H ARG 17 HN ARG 17 7.160 5.375 -4.652 134 HA ARG 17 HA ARG 17 5.457 3.341 -3.663 135 HB2 ARG 17 2HB ARG 17 6.925 3.515 -6.294 136 HB3 ARG 17 1HB ARG 17 5.914 2.148 -5.883 137 HG2 ARG 17 2HG ARG 17 4.666 3.617 -7.304 138 HG3 ARG 17 1HG ARG 17 3.979 3.708 -5.689 139 HD2 ARG 17 2HD ARG 17 5.101 5.812 -5.299 140 HD3 ARG 17 1HD ARG 17 5.931 5.688 -6.846 141 HE ARG 17 HE ARG 17 3.138 5.559 -7.184 142 HH11 ARG 17 1HH1 ARG 17 5.684 7.911 -6.500 143 HH12 ARG 17 2HH1 ARG 17 4.871 9.209 -7.254 144 HH21 ARG 17 1HH2 ARG 17 2.052 7.298 -8.202 145 HH22 ARG 17 2HH2 ARG 17 2.745 8.854 -8.249 146 H SER 18 HN SER 18 8.851 3.598 -4.007 147 HA SER 18 HA SER 18 9.586 0.918 -3.785 148 HB2 SER 18 2HB SER 18 11.131 2.790 -4.383 149 HB3 SER 18 1HB SER 18 11.041 3.360 -2.720 150 HG SER 18 HG SER 18 12.049 0.883 -3.640 151 H ASN 19 HN ASN 19 8.877 3.392 -1.307 152 HA ASN 19 HA ASN 19 9.431 1.608 0.869 153 HB2 ASN 19 2HB ASN 19 7.880 4.216 0.912 154 HB3 ASN 19 1HB ASN 19 8.318 3.295 2.339 155 HD21 ASN 19 1HD2 ASN 19 8.961 5.970 1.946 156 HD22 ASN 19 2HD2 ASN 19 10.672 6.097 1.839 157 H CYS 20 HN CYS 20 6.597 2.696 -0.825 158 HA CYS 20 HA CYS 20 4.587 1.582 0.754 159 HB2 CYS 20 2HB CYS 20 4.252 3.196 -1.120 160 HB3 CYS 20 1HB CYS 20 4.669 1.931 -2.258 161 H ALA 21 HN ALA 21 6.226 0.182 -2.105 162 HA ALA 21 HA ALA 21 4.994 -2.341 -1.912 163 HB1 ALA 21 1HB ALA 21 5.988 -1.490 -3.981 164 HB2 ALA 21 2HB ALA 21 6.669 -3.054 -3.526 165 HB3 ALA 21 3HB ALA 21 7.589 -1.575 -3.243 166 H ASN 22 HN ASN 22 8.053 -1.045 -0.663 167 HA ASN 22 HA ASN 22 9.126 -3.456 0.290 168 HB2 ASN 22 2HB ASN 22 10.457 -1.396 0.161 169 HB3 ASN 22 1HB ASN 22 9.473 -0.679 1.432 170 HD21 ASN 22 1HD2 ASN 22 11.096 -0.400 2.845 171 HD22 ASN 22 2HD2 ASN 22 11.915 -1.674 3.655 172 H VAL 23 HN VAL 23 7.133 -1.034 1.974 173 HA VAL 23 HA VAL 23 6.966 -2.356 4.419 174 HB VAL 23 HB VAL 23 5.012 -0.432 3.103 175 HG11 VAL 23 1HG1 VAL 23 3.756 -1.819 4.690 176 HG12 VAL 23 2HG1 VAL 23 3.953 -0.185 5.325 177 HG13 VAL 23 3HG1 VAL 23 4.962 -1.498 5.932 178 HG21 VAL 23 1HG2 VAL 23 5.913 1.111 4.838 179 HG22 VAL 23 2HG2 VAL 23 7.120 0.556 3.679 180 HG23 VAL 23 3HG2 VAL 23 7.057 -0.151 5.291 181 H CYS 24 HN CYS 24 4.753 -2.486 1.658 182 HA CYS 24 HA CYS 24 3.099 -4.426 2.766 183 HB2 CYS 24 2HB CYS 24 3.670 -3.706 -0.090 184 HB3 CYS 24 1HB CYS 24 2.409 -4.845 0.368 185 H ARG 25 HN ARG 25 6.082 -4.788 0.927 186 HA ARG 25 HA ARG 25 6.033 -7.572 0.636 187 HB2 ARG 25 2HB ARG 25 7.660 -6.168 -0.543 188 HB3 ARG 25 1HB ARG 25 8.401 -5.717 0.984 189 HG2 ARG 25 2HG ARG 25 9.047 -8.062 1.339 190 HG3 ARG 25 1HG ARG 25 8.360 -8.478 -0.229 191 HD2 ARG 25 2HD ARG 25 10.762 -8.209 -0.395 192 HD3 ARG 25 1HD ARG 25 9.943 -6.942 -1.308 193 HE ARG 25 HE ARG 25 10.344 -5.665 0.951 194 HH11 ARG 25 1HH1 ARG 25 12.606 -7.750 -0.804 195 HH12 ARG 25 2HH1 ARG 25 14.000 -6.974 -0.219 196 HH21 ARG 25 1HH2 ARG 25 12.238 -4.562 1.702 197 HH22 ARG 25 2HH2 ARG 25 13.784 -5.089 1.237 198 H THR 26 HN THR 26 7.422 -5.541 3.229 199 HA THR 26 HA THR 26 8.289 -7.725 4.769 200 HB THR 26 HB THR 26 8.455 -6.052 6.670 201 HG1 THR 26 1HG THR 26 6.763 -4.639 5.178 202 HG21 THR 26 1HG2 THR 26 9.687 -5.242 4.032 203 HG22 THR 26 2HG2 THR 26 10.327 -6.457 5.135 204 HG23 THR 26 3HG2 THR 26 10.270 -4.764 5.627 205 H GLU 27 HN GLU 27 5.199 -6.194 4.507 206 HA GLU 27 HA GLU 27 4.058 -7.379 6.845 207 HB2 GLU 27 2HB GLU 27 2.855 -6.099 4.400 208 HB3 GLU 27 1HB GLU 27 1.882 -6.742 5.717 209 HG2 GLU 27 2HG GLU 27 3.940 -4.574 5.969 210 HG3 GLU 27 1HG GLU 27 2.198 -4.323 5.843 211 H GLY 28 HN GLY 28 4.842 -8.528 3.751 212 HA2 GLY 28 2HA GLY 28 4.745 -10.827 3.210 213 HA3 GLY 28 1HA GLY 28 3.413 -11.007 4.339 214 H PHE 29 HN PHE 29 3.445 -8.389 2.068 215 HA PHE 29 HA PHE 29 1.311 -9.709 0.563 216 HB2 PHE 29 2HB PHE 29 1.799 -6.782 1.132 217 HB3 PHE 29 1HB PHE 29 0.608 -7.359 -0.023 218 HD1 PHE 29 1HD PHE 29 -0.971 -9.251 1.051 219 HD2 PHE 29 2HD PHE 29 1.007 -6.157 3.181 220 HE1 PHE 29 1HE PHE 29 -2.659 -9.389 2.784 221 HE2 PHE 29 2HE PHE 29 -0.687 -6.290 4.953 222 HZ PHE 29 HZ PHE 29 -2.536 -7.911 4.764 223 HA PRO 30 HA PRO 30 3.664 -9.612 -3.202 224 HB2 PRO 30 2HB PRO 30 1.329 -8.208 -4.403 225 HB3 PRO 30 1HB PRO 30 2.185 -9.650 -4.963 226 HG2 PRO 30 2HG PRO 30 -0.181 -9.850 -3.786 227 HG3 PRO 30 1HG PRO 30 1.098 -11.034 -3.462 228 HD2 PRO 30 2HD PRO 30 0.103 -8.798 -1.760 229 HD3 PRO 30 1HD PRO 30 0.701 -10.403 -1.292 230 H GLY 31 HN GLY 31 1.789 -6.550 -2.830 231 HA2 GLY 31 2HA GLY 31 4.199 -5.018 -2.945 232 HA3 GLY 31 1HA GLY 31 3.304 -4.977 -4.457 233 H GLY 32 HN GLY 32 3.475 -2.621 -3.638 234 HA2 GLY 32 2HA GLY 32 1.109 -2.024 -1.999 235 HA3 GLY 32 1HA GLY 32 2.584 -1.058 -1.958 236 H ARG 33 HN ARG 33 -0.122 -0.252 -2.672 237 HA ARG 33 HA ARG 33 0.385 0.749 -5.394 238 HB2 ARG 33 2HB ARG 33 -1.144 -1.291 -5.133 239 HB3 ARG 33 1HB ARG 33 -2.314 -0.163 -4.463 240 HG2 ARG 33 2HG ARG 33 -2.882 -0.427 -6.713 241 HG3 ARG 33 1HG ARG 33 -2.024 1.116 -6.648 242 HD2 ARG 33 2HD ARG 33 -1.316 -0.287 -8.558 243 HD3 ARG 33 1HD ARG 33 0.010 0.061 -7.452 244 HE ARG 33 HE ARG 33 -0.312 -2.181 -6.530 245 HH11 ARG 33 1HH1 ARG 33 -1.710 -1.641 -9.769 246 HH12 ARG 33 2HH1 ARG 33 -1.491 -3.255 -10.257 247 HH21 ARG 33 1HH2 ARG 33 -0.015 -4.381 -7.256 248 HH22 ARG 33 2HH2 ARG 33 -0.556 -4.849 -8.802 249 H CYS 34 HN CYS 34 -0.685 2.692 -5.730 250 HA CYS 34 HA CYS 34 -1.559 4.119 -3.308 251 HB2 CYS 34 2HB CYS 34 -0.562 5.157 -5.958 252 HB3 CYS 34 1HB CYS 34 -1.294 6.187 -4.737 253 H ARG 35 HN ARG 35 -3.626 4.450 -3.050 254 HA ARG 35 HA ARG 35 -5.204 5.095 -5.435 255 HB2 ARG 35 2HB ARG 35 -6.937 3.540 -5.145 256 HB3 ARG 35 1HB ARG 35 -5.487 2.606 -4.812 257 HG2 ARG 35 2HG ARG 35 -5.876 2.747 -2.451 258 HG3 ARG 35 1HG ARG 35 -7.247 3.827 -2.708 259 HD2 ARG 35 2HD ARG 35 -8.313 2.002 -4.035 260 HD3 ARG 35 1HD ARG 35 -7.002 0.945 -3.520 261 HE ARG 35 HE ARG 35 -8.240 2.224 -1.326 262 HH11 ARG 35 1HH1 ARG 35 -8.577 -0.501 -3.548 263 HH12 ARG 35 2HH1 ARG 35 -9.658 -1.375 -2.573 264 HH21 ARG 35 1HH2 ARG 35 -9.725 1.023 0.040 265 HH22 ARG 35 2HH2 ARG 35 -10.342 -0.470 -0.486 266 H GLY 36 HN GLY 36 -4.381 5.815 -2.294 267 HA2 GLY 36 2HA GLY 36 -6.944 6.843 -1.499 268 HA3 GLY 36 1HA GLY 36 -5.429 6.968 -0.606 269 H PHE 37 HN PHE 37 -7.502 8.947 -1.428 270 HA PHE 37 HA PHE 37 -6.404 10.728 -3.365 271 HB2 PHE 37 2HB PHE 37 -8.141 11.586 -1.058 272 HB3 PHE 37 1HB PHE 37 -8.122 12.204 -2.703 273 HD1 PHE 37 1HD PHE 37 -9.727 10.083 -0.412 274 HD2 PHE 37 2HD PHE 37 -8.909 10.540 -4.551 275 HE1 PHE 37 1HE PHE 37 -11.573 8.588 -0.921 276 HE2 PHE 37 2HE PHE 37 -10.784 9.034 -5.083 277 HZ PHE 37 HZ PHE 37 -12.121 8.054 -3.265 278 H ARG 38 HN ARG 38 -6.028 10.097 -0.055 279 HA ARG 38 HA ARG 38 -4.474 12.463 0.574 280 HB2 ARG 38 2HB ARG 38 -5.195 10.042 2.240 281 HB3 ARG 38 1HB ARG 38 -4.498 11.541 2.843 282 HG2 ARG 38 2HG ARG 38 -6.495 12.768 2.230 283 HG3 ARG 38 1HG ARG 38 -7.179 11.332 1.480 284 HD2 ARG 38 2HD ARG 38 -8.173 11.698 3.648 285 HD3 ARG 38 1HD ARG 38 -7.219 10.220 3.660 286 HE ARG 38 HE ARG 38 -5.463 11.929 4.622 287 HH11 ARG 38 1HH1 ARG 38 -8.897 11.622 5.402 288 HH12 ARG 38 2HH1 ARG 38 -8.718 12.056 7.032 289 HH21 ARG 38 1HH2 ARG 38 -5.204 12.521 6.897 290 HH22 ARG 38 2HH2 ARG 38 -6.568 12.596 7.906 291 H ARG 39 HN ARG 39 -3.787 10.030 -1.249 292 HA ARG 39 HA ARG 39 -2.011 8.866 -1.938 293 HB2 ARG 39 2HB ARG 39 -0.499 10.904 -0.282 294 HB3 ARG 39 1HB ARG 39 0.255 9.800 -1.429 295 HG2 ARG 39 2HG ARG 39 -0.978 10.772 -3.245 296 HG3 ARG 39 1HG ARG 39 -1.859 11.818 -2.134 297 HD2 ARG 39 2HD ARG 39 0.189 12.979 -1.593 298 HD3 ARG 39 1HD ARG 39 1.114 11.870 -2.609 299 HE ARG 39 HE ARG 39 -0.902 12.943 -4.164 300 HH11 ARG 39 1HH1 ARG 39 1.969 14.207 -2.483 301 HH12 ARG 39 2HH1 ARG 39 2.223 15.424 -3.653 302 HH21 ARG 39 1HH2 ARG 39 -0.483 14.657 -5.736 303 HH22 ARG 39 2HH2 ARG 39 0.872 15.663 -5.471 304 H ARG 40 HN ARG 40 -3.218 7.414 -0.391 305 HA ARG 40 HA ARG 40 -1.538 6.542 1.824 306 HB2 ARG 40 2HB ARG 40 -4.358 5.804 1.049 307 HB3 ARG 40 1HB ARG 40 -3.478 5.014 2.345 308 HG2 ARG 40 2HG ARG 40 -3.360 7.149 3.541 309 HG3 ARG 40 1HG ARG 40 -4.247 7.927 2.225 310 HD2 ARG 40 2HD ARG 40 -6.153 6.478 2.614 311 HD3 ARG 40 1HD ARG 40 -5.276 5.609 3.868 312 HE ARG 40 HE ARG 40 -5.243 8.193 4.690 313 HH11 ARG 40 1HH1 ARG 40 -7.907 5.992 3.801 314 HH12 ARG 40 2HH1 ARG 40 -8.982 6.662 4.938 315 HH21 ARG 40 1HH2 ARG 40 -6.777 9.070 6.237 316 HH22 ARG 40 2HH2 ARG 40 -8.360 8.431 6.289 317 H CYS 41 HN CYS 41 -0.662 4.542 1.906 318 HA CYS 41 HA CYS 41 -0.293 3.182 -0.616 319 HB2 CYS 41 2HB CYS 41 1.675 3.655 0.792 320 HB3 CYS 41 1HB CYS 41 0.951 2.769 2.122 321 H PHE 42 HN PHE 42 -1.293 1.389 -1.116 322 HA PHE 42 HA PHE 42 -2.704 -0.080 0.981 323 HB2 PHE 42 2HB PHE 42 -3.570 0.518 -1.839 324 HB3 PHE 42 1HB PHE 42 -4.247 -0.783 -0.865 325 HD1 PHE 42 1HD PHE 42 -3.815 2.877 -1.032 326 HD2 PHE 42 2HD PHE 42 -5.888 -0.383 0.698 327 HE1 PHE 42 1HE PHE 42 -5.427 4.450 -0.016 328 HE2 PHE 42 2HE PHE 42 -7.497 1.172 1.735 329 HZ PHE 42 HZ PHE 42 -7.261 3.597 1.363 330 H CYS 43 HN CYS 43 -1.958 -1.974 1.229 331 HA CYS 43 HA CYS 43 -0.118 -3.187 -0.530 332 HB2 CYS 43 2HB CYS 43 -1.639 -4.262 1.840 333 HB3 CYS 43 1HB CYS 43 -0.366 -5.137 0.994 334 H THR 44 HN THR 44 -0.518 -4.256 -2.235 335 HA THR 44 HA THR 44 -3.222 -4.863 -3.041 336 HB THR 44 HB THR 44 -0.612 -5.313 -4.511 337 HG1 THR 44 1HG THR 44 -1.541 -3.041 -3.643 338 HG21 THR 44 1HG2 THR 44 -3.436 -4.817 -5.486 339 HG22 THR 44 2HG2 THR 44 -2.614 -6.377 -5.488 340 HG23 THR 44 3HG2 THR 44 -2.021 -5.065 -6.509 341 H THR 45 HN THR 45 -3.897 -6.704 -2.013 342 HA THR 45 HA THR 45 -2.119 -9.023 -2.111 343 HB THR 45 HB THR 45 -2.636 -8.242 0.199 344 HG1 THR 45 1HG THR 45 -3.747 -10.367 0.814 345 HG21 THR 45 1HG2 THR 45 -5.478 -8.979 -0.461 346 HG22 THR 45 2HG2 THR 45 -4.889 -7.335 -0.213 347 HG23 THR 45 3HG2 THR 45 -4.882 -8.488 1.124 348 H HIS 46 HN HIS 46 -3.481 -11.084 -2.169 349 HA HIS 46 HA HIS 46 -5.744 -10.706 -3.991 350 HB2 HIS 46 2HB HIS 46 -3.945 -13.129 -3.667 351 HB3 HIS 46 1HB HIS 46 -5.291 -12.991 -4.789 352 HD1 HIS 46 1HD HIS 46 -1.848 -13.069 -4.982 353 HD2 HIS 46 2HD HIS 46 -4.662 -10.373 -6.413 354 HE1 HIS 46 1HE HIS 46 -0.735 -11.873 -6.903 355 H CYS 47 HN CYS 47 -7.627 -11.877 -3.491 356 HA CYS 47 HA CYS 47 -7.571 -12.907 -0.792 357 HB2 CYS 47 2HB CYS 47 -9.846 -11.730 -2.366 358 HB3 CYS 47 1HB CYS 47 -10.091 -12.596 -0.850 Start of MODEL 18 1 H1 ARG 1 1HT ARG 1 -10.208 -8.138 -8.650 2 H2 ARG 1 2HT ARG 1 -9.831 -7.873 -10.263 3 H3 ARG 1 3HT ARG 1 -9.000 -7.042 -9.044 4 HA ARG 1 HA ARG 1 -8.980 -9.959 -9.513 5 HB2 ARG 1 2HB ARG 1 -7.722 -8.666 -11.206 6 HB3 ARG 1 1HB ARG 1 -6.785 -7.912 -9.925 7 HG2 ARG 1 2HG ARG 1 -5.942 -10.141 -9.288 8 HG3 ARG 1 1HG ARG 1 -6.808 -10.825 -10.663 9 HD2 ARG 1 2HD ARG 1 -5.534 -9.309 -12.150 10 HD3 ARG 1 1HD ARG 1 -4.612 -8.774 -10.746 11 HE ARG 1 HE ARG 1 -4.668 -11.606 -11.228 12 HH11 ARG 1 1HH1 ARG 1 -2.897 -8.565 -11.711 13 HH12 ARG 1 2HH1 ARG 1 -1.416 -9.329 -12.064 14 HH21 ARG 1 1HH2 ARG 1 -2.612 -12.639 -11.730 15 HH22 ARG 1 2HH2 ARG 1 -1.245 -11.690 -12.062 16 H THR 2 HN THR 2 -7.100 -7.379 -7.885 17 HA THR 2 HA THR 2 -6.672 -9.276 -5.727 18 HB THR 2 HB THR 2 -4.821 -7.646 -5.171 19 HG1 THR 2 1HG THR 2 -4.606 -6.698 -7.681 20 HG21 THR 2 1HG2 THR 2 -4.389 -9.783 -6.341 21 HG22 THR 2 2HG2 THR 2 -3.320 -8.507 -6.923 22 HG23 THR 2 3HG2 THR 2 -4.715 -8.993 -7.885 23 H CYS 3 HN CYS 3 -6.502 -8.232 -3.567 24 HA CYS 3 HA CYS 3 -8.540 -6.180 -3.230 25 HB2 CYS 3 2HB CYS 3 -7.523 -8.373 -1.404 26 HB3 CYS 3 1HB CYS 3 -8.625 -7.092 -0.865 27 H GLN 4 HN GLN 4 -7.990 -4.528 -1.783 28 HA GLN 4 HA GLN 4 -5.113 -4.276 -1.359 29 HB2 GLN 4 2HB GLN 4 -7.024 -2.144 -2.296 30 HB3 GLN 4 1HB GLN 4 -5.358 -1.850 -1.817 31 HG2 GLN 4 2HG GLN 4 -4.568 -3.315 -3.569 32 HG3 GLN 4 1HG GLN 4 -6.231 -3.647 -4.055 33 HE21 GLN 4 1HE2 GLN 4 -7.384 -2.043 -5.098 34 HE22 GLN 4 2HE2 GLN 4 -6.622 -0.700 -5.837 35 H SER 5 HN SER 5 -4.479 -3.793 0.559 36 HA SER 5 HA SER 5 -6.487 -2.990 2.544 37 HB2 SER 5 2HB SER 5 -4.099 -4.808 2.904 38 HB3 SER 5 1HB SER 5 -5.293 -4.390 4.141 39 HG SER 5 HG SER 5 -6.850 -5.210 2.566 40 H GLN 6 HN GLN 6 -5.870 -1.473 4.034 41 HA GLN 6 HA GLN 6 -3.918 0.427 3.307 42 HB2 GLN 6 2HB GLN 6 -5.960 1.002 4.450 43 HB3 GLN 6 1HB GLN 6 -5.518 0.013 5.831 44 HG2 GLN 6 2HG GLN 6 -3.647 1.562 6.285 45 HG3 GLN 6 1HG GLN 6 -4.181 2.562 4.932 46 HE21 GLN 6 1HE2 GLN 6 -4.604 4.331 6.281 47 HE22 GLN 6 2HE2 GLN 6 -5.953 4.367 7.342 48 H SER 7 HN SER 7 -1.810 0.641 3.924 49 HA SER 7 HA SER 7 -0.644 -1.369 5.605 50 HB2 SER 7 2HB SER 7 1.486 -0.071 4.999 51 HB3 SER 7 1HB SER 7 0.631 -0.846 3.665 52 HG SER 7 HG SER 7 -0.017 1.040 2.932 53 H HIS 8 HN HIS 8 0.011 -1.087 7.638 54 HA HIS 8 HA HIS 8 -0.987 1.366 8.866 55 HB2 HIS 8 2HB HIS 8 -0.519 -1.343 10.087 56 HB3 HIS 8 1HB HIS 8 -1.000 0.078 11.004 57 HD1 HIS 8 1HD HIS 8 -3.479 0.964 10.589 58 HD2 HIS 8 2HD HIS 8 -2.514 -2.589 8.668 59 HE1 HIS 8 1HE HIS 8 -5.664 -0.042 9.855 60 H ARG 9 HN ARG 9 1.974 -0.258 8.273 61 HA ARG 9 HA ARG 9 3.193 1.538 10.255 62 HB2 ARG 9 2HB ARG 9 5.270 0.141 10.075 63 HB3 ARG 9 1HB ARG 9 3.884 -0.740 10.688 64 HG2 ARG 9 2HG ARG 9 3.566 -1.741 8.484 65 HG3 ARG 9 1HG ARG 9 4.956 -0.836 7.893 66 HD2 ARG 9 2HD ARG 9 5.087 -2.792 10.170 67 HD3 ARG 9 1HD ARG 9 5.402 -3.234 8.496 68 HE ARG 9 HE ARG 9 6.981 -1.038 9.180 69 HH11 ARG 9 1HH1 ARG 9 6.743 -4.484 10.004 70 HH12 ARG 9 2HH1 ARG 9 8.404 -4.697 10.246 71 HH21 ARG 9 1HH2 ARG 9 9.316 -1.347 9.464 72 HH22 ARG 9 2HH2 ARG 9 9.910 -2.884 9.870 73 H PHE 10 HN PHE 10 2.227 1.898 7.436 74 HA PHE 10 HA PHE 10 4.509 2.736 5.937 75 HB2 PHE 10 2HB PHE 10 2.437 2.003 4.819 76 HB3 PHE 10 1HB PHE 10 1.578 3.352 5.536 77 HD1 PHE 10 1HD PHE 10 1.134 5.107 4.087 78 HD2 PHE 10 2HD PHE 10 4.717 2.867 3.539 79 HE1 PHE 10 1HE PHE 10 1.729 6.497 2.159 80 HE2 PHE 10 2HE PHE 10 5.289 4.240 1.638 81 HZ PHE 10 HZ PHE 10 3.807 6.062 0.933 82 H ARG 11 HN ARG 11 5.495 4.544 5.964 83 HA ARG 11 HA ARG 11 4.252 6.895 7.104 84 HB2 ARG 11 2HB ARG 11 6.490 7.413 8.157 85 HB3 ARG 11 1HB ARG 11 5.573 6.117 8.911 86 HG2 ARG 11 2HG ARG 11 6.957 4.474 7.743 87 HG3 ARG 11 1HG ARG 11 7.875 5.784 7.004 88 HD2 ARG 11 2HD ARG 11 8.594 6.542 9.170 89 HD3 ARG 11 1HD ARG 11 7.601 5.311 9.955 90 HE ARG 11 HE ARG 11 9.202 3.939 8.241 91 HH11 ARG 11 1HH1 ARG 11 9.837 6.115 10.945 92 HH12 ARG 11 2HH1 ARG 11 11.290 5.367 11.398 93 HH21 ARG 11 1HH2 ARG 11 11.188 2.916 8.835 94 HH22 ARG 11 2HH2 ARG 11 12.084 3.490 10.172 95 H GLY 12 HN GLY 12 4.288 8.381 5.574 96 HA2 GLY 12 2HA GLY 12 5.918 9.814 4.311 97 HA3 GLY 12 1HA GLY 12 6.470 8.292 3.618 98 HA PRO 13 HA PRO 13 3.004 9.799 1.002 99 HB2 PRO 13 2HB PRO 13 4.359 10.480 -1.224 100 HB3 PRO 13 1HB PRO 13 4.149 11.598 0.127 101 HG2 PRO 13 2HG PRO 13 6.548 10.053 -0.693 102 HG3 PRO 13 1HG PRO 13 6.445 11.631 0.097 103 HD2 PRO 13 2HD PRO 13 6.978 9.161 1.342 104 HD3 PRO 13 1HD PRO 13 6.578 10.683 2.158 105 H CYS 14 HN CYS 14 1.929 8.409 -0.283 106 HA CYS 14 HA CYS 14 2.882 5.822 -0.833 107 HB2 CYS 14 2HB CYS 14 0.516 6.275 -0.565 108 HB3 CYS 14 1HB CYS 14 0.518 7.298 -1.993 109 H LEU 15 HN LEU 15 3.262 8.717 -2.496 110 HA LEU 15 HA LEU 15 3.377 7.788 -5.164 111 HB2 LEU 15 2HB LEU 15 4.317 10.339 -3.898 112 HB3 LEU 15 1HB LEU 15 4.663 9.995 -5.579 113 HG LEU 15 HG LEU 15 2.204 9.862 -6.003 114 HD11 LEU 15 1HD1 LEU 15 1.937 10.846 -3.173 115 HD12 LEU 15 2HD1 LEU 15 1.398 9.292 -3.802 116 HD13 LEU 15 3HD1 LEU 15 0.643 10.782 -4.370 117 HD21 LEU 15 1HD2 LEU 15 3.421 11.899 -6.477 118 HD22 LEU 15 2HD2 LEU 15 3.195 12.446 -4.816 119 HD23 LEU 15 3HD2 LEU 15 1.803 12.273 -5.886 120 H ARG 16 HN ARG 16 5.456 7.169 -2.717 121 HA ARG 16 HA ARG 16 7.668 6.719 -4.570 122 HB2 ARG 16 2HB ARG 16 7.632 6.823 -1.552 123 HB3 ARG 16 1HB ARG 16 9.042 6.386 -2.508 124 HG2 ARG 16 2HG ARG 16 9.064 8.580 -3.537 125 HG3 ARG 16 1HG ARG 16 7.587 9.004 -2.668 126 HD2 ARG 16 2HD ARG 16 8.712 8.817 -0.578 127 HD3 ARG 16 1HD ARG 16 10.197 8.270 -1.369 128 HE ARG 16 HE ARG 16 9.588 10.688 -2.487 129 HH11 ARG 16 1HH1 ARG 16 10.137 9.548 0.797 130 HH12 ARG 16 2HH1 ARG 16 10.875 10.969 1.349 131 HH21 ARG 16 1HH2 ARG 16 10.617 12.675 -1.759 132 HH22 ARG 16 2HH2 ARG 16 11.188 12.781 -0.145 133 H ARG 17 HN ARG 17 7.226 4.864 -5.517 134 HA ARG 17 HA ARG 17 5.743 2.745 -4.494 135 HB2 ARG 17 2HB ARG 17 6.159 3.119 -6.907 136 HB3 ARG 17 1HB ARG 17 7.832 2.628 -6.675 137 HG2 ARG 17 2HG ARG 17 6.981 0.414 -5.867 138 HG3 ARG 17 1HG ARG 17 5.371 0.931 -6.356 139 HD2 ARG 17 2HD ARG 17 7.770 0.695 -8.170 140 HD3 ARG 17 1HD ARG 17 6.454 -0.466 -8.050 141 HE ARG 17 HE ARG 17 5.145 1.744 -8.667 142 HH11 ARG 17 1HH1 ARG 17 8.019 0.251 -10.062 143 HH12 ARG 17 2HH1 ARG 17 7.791 0.842 -11.632 144 HH21 ARG 17 1HH2 ARG 17 4.764 2.584 -10.893 145 HH22 ARG 17 2HH2 ARG 17 5.902 2.202 -12.095 146 H SER 18 HN SER 18 9.190 3.409 -4.294 147 HA SER 18 HA SER 18 10.118 0.919 -3.489 148 HB2 SER 18 2HB SER 18 11.938 2.276 -2.391 149 HB3 SER 18 1HB SER 18 11.639 2.699 -4.076 150 HG SER 18 HG SER 18 11.627 4.242 -2.002 151 H ASN 19 HN ASN 19 8.924 3.617 -1.586 152 HA ASN 19 HA ASN 19 9.200 2.350 0.954 153 HB2 ASN 19 2HB ASN 19 9.265 4.808 0.636 154 HB3 ASN 19 1HB ASN 19 7.582 4.782 0.148 155 HD21 ASN 19 1HD2 ASN 19 7.164 6.283 1.827 156 HD22 ASN 19 2HD2 ASN 19 7.046 5.766 3.469 157 H CYS 20 HN CYS 20 6.561 2.841 -1.275 158 HA CYS 20 HA CYS 20 4.463 1.836 0.307 159 HB2 CYS 20 2HB CYS 20 4.131 3.232 -1.690 160 HB3 CYS 20 1HB CYS 20 4.780 1.959 -2.703 161 H ALA 21 HN ALA 21 6.376 0.163 -2.269 162 HA ALA 21 HA ALA 21 5.073 -2.307 -1.816 163 HB1 ALA 21 1HB ALA 21 6.736 -3.286 -3.271 164 HB2 ALA 21 2HB ALA 21 7.750 -1.858 -3.100 165 HB3 ALA 21 3HB ALA 21 6.203 -1.741 -3.945 166 H ASN 22 HN ASN 22 8.044 -0.852 -0.517 167 HA ASN 22 HA ASN 22 8.989 -3.180 0.737 168 HB2 ASN 22 2HB ASN 22 10.419 -1.210 0.441 169 HB3 ASN 22 1HB ASN 22 9.416 -0.299 1.561 170 HD21 ASN 22 1HD2 ASN 22 9.653 -0.653 3.762 171 HD22 ASN 22 2HD2 ASN 22 10.925 -1.588 4.432 172 H VAL 23 HN VAL 23 6.870 -0.574 1.980 173 HA VAL 23 HA VAL 23 6.709 -1.690 4.542 174 HB VAL 23 HB VAL 23 6.049 0.686 4.053 175 HG11 VAL 23 1HG1 VAL 23 4.740 0.436 2.062 176 HG12 VAL 23 2HG1 VAL 23 3.731 1.155 3.326 177 HG13 VAL 23 3HG1 VAL 23 3.561 -0.546 2.919 178 HG21 VAL 23 1HG2 VAL 23 4.148 0.728 5.619 179 HG22 VAL 23 2HG2 VAL 23 5.512 -0.258 6.133 180 HG23 VAL 23 3HG2 VAL 23 4.060 -1.032 5.490 181 H CYS 24 HN CYS 24 4.638 -2.069 1.701 182 HA CYS 24 HA CYS 24 2.817 -3.757 2.965 183 HB2 CYS 24 2HB CYS 24 3.554 -3.358 0.090 184 HB3 CYS 24 1HB CYS 24 2.270 -4.462 0.567 185 H ARG 25 HN ARG 25 5.856 -4.408 1.385 186 HA ARG 25 HA ARG 25 5.625 -7.204 1.308 187 HB2 ARG 25 2HB ARG 25 7.276 -5.840 0.040 188 HB3 ARG 25 1HB ARG 25 8.127 -5.536 1.542 189 HG2 ARG 25 2HG ARG 25 8.647 -7.895 1.752 190 HG3 ARG 25 1HG ARG 25 7.716 -8.237 0.291 191 HD2 ARG 25 2HD ARG 25 10.142 -6.463 0.448 192 HD3 ARG 25 1HD ARG 25 10.121 -8.107 -0.195 193 HE ARG 25 HE ARG 25 8.267 -6.922 -1.689 194 HH11 ARG 25 1HH1 ARG 25 11.569 -5.872 -0.906 195 HH12 ARG 25 2HH1 ARG 25 11.763 -4.986 -2.354 196 HH21 ARG 25 1HH2 ARG 25 8.556 -5.727 -3.647 197 HH22 ARG 25 2HH2 ARG 25 10.018 -4.876 -3.912 198 H THR 26 HN THR 26 6.894 -4.992 3.791 199 HA THR 26 HA THR 26 7.532 -7.237 5.451 200 HB THR 26 HB THR 26 9.019 -5.299 5.599 201 HG1 THR 26 1HG THR 26 7.626 -6.209 7.814 202 HG21 THR 26 1HG2 THR 26 7.421 -3.509 5.188 203 HG22 THR 26 2HG2 THR 26 8.296 -3.209 6.693 204 HG23 THR 26 3HG2 THR 26 6.641 -3.822 6.736 205 H GLU 27 HN GLU 27 4.682 -5.408 4.934 206 HA GLU 27 HA GLU 27 3.591 -6.428 7.401 207 HB2 GLU 27 2HB GLU 27 2.350 -4.685 5.265 208 HB3 GLU 27 1HB GLU 27 1.376 -5.400 6.546 209 HG2 GLU 27 2HG GLU 27 2.880 -4.294 8.206 210 HG3 GLU 27 1HG GLU 27 3.672 -3.479 6.865 211 H GLY 28 HN GLY 28 4.356 -7.920 4.740 212 HA2 GLY 28 2HA GLY 28 3.941 -10.206 4.370 213 HA3 GLY 28 1HA GLY 28 2.479 -10.069 5.330 214 H PHE 29 HN PHE 29 3.184 -7.899 2.693 215 HA PHE 29 HA PHE 29 1.046 -9.179 1.170 216 HB2 PHE 29 2HB PHE 29 1.792 -6.282 1.430 217 HB3 PHE 29 1HB PHE 29 0.637 -6.891 0.244 218 HD1 PHE 29 1HD PHE 29 -1.348 -8.012 1.024 219 HD2 PHE 29 2HD PHE 29 1.159 -5.894 3.661 220 HE1 PHE 29 1HE PHE 29 -3.203 -7.881 2.645 221 HE2 PHE 29 2HE PHE 29 -0.650 -5.749 5.311 222 HZ PHE 29 HZ PHE 29 -2.853 -6.750 4.802 223 HA PRO 30 HA PRO 30 4.037 -9.693 -2.036 224 HB2 PRO 30 2HB PRO 30 2.380 -9.901 -4.186 225 HB3 PRO 30 1HB PRO 30 2.622 -11.198 -3.012 226 HG2 PRO 30 2HG PRO 30 0.395 -9.220 -3.223 227 HG3 PRO 30 1HG PRO 30 0.321 -10.949 -2.844 228 HD2 PRO 30 2HD PRO 30 0.157 -9.015 -0.950 229 HD3 PRO 30 1HD PRO 30 0.867 -10.609 -0.630 230 H GLY 31 HN GLY 31 1.687 -7.062 -2.295 231 HA2 GLY 31 2HA GLY 31 3.721 -5.452 -3.585 232 HA3 GLY 31 1HA GLY 31 2.294 -5.771 -4.563 233 H GLY 32 HN GLY 32 2.589 -3.241 -4.231 234 HA2 GLY 32 2HA GLY 32 0.435 -2.487 -2.483 235 HA3 GLY 32 1HA GLY 32 2.003 -1.812 -2.036 236 H ARG 33 HN ARG 33 -0.486 -0.537 -3.081 237 HA ARG 33 HA ARG 33 0.791 1.122 -5.057 238 HB2 ARG 33 2HB ARG 33 -0.217 -0.670 -6.445 239 HB3 ARG 33 1HB ARG 33 -1.771 -0.375 -5.674 240 HG2 ARG 33 2HG ARG 33 -1.728 0.599 -7.888 241 HG3 ARG 33 1HG ARG 33 -1.824 1.868 -6.668 242 HD2 ARG 33 2HD ARG 33 0.672 2.112 -6.871 243 HD3 ARG 33 1HD ARG 33 0.591 1.005 -8.241 244 HE ARG 33 HE ARG 33 -1.233 3.048 -8.705 245 HH11 ARG 33 1HH1 ARG 33 2.275 2.678 -8.452 246 HH12 ARG 33 2HH1 ARG 33 2.620 4.017 -9.440 247 HH21 ARG 33 1HH2 ARG 33 -0.760 4.884 -10.023 248 HH22 ARG 33 2HH2 ARG 33 0.863 5.337 -10.337 249 H CYS 34 HN CYS 34 -0.476 3.060 -5.402 250 HA CYS 34 HA CYS 34 -1.703 4.084 -3.077 251 HB2 CYS 34 2HB CYS 34 -1.520 5.143 -5.888 252 HB3 CYS 34 1HB CYS 34 -2.116 6.073 -4.516 253 H ARG 35 HN ARG 35 -3.806 4.622 -2.699 254 HA ARG 35 HA ARG 35 -5.847 3.780 -4.597 255 HB2 ARG 35 2HB ARG 35 -5.440 1.721 -3.407 256 HB3 ARG 35 1HB ARG 35 -5.559 2.538 -1.866 257 HG2 ARG 35 2HG ARG 35 -7.544 1.224 -2.230 258 HG3 ARG 35 1HG ARG 35 -7.965 2.929 -2.286 259 HD2 ARG 35 2HD ARG 35 -7.502 1.205 -4.723 260 HD3 ARG 35 1HD ARG 35 -9.080 1.501 -4.001 261 HE ARG 35 HE ARG 35 -8.223 3.987 -4.417 262 HH11 ARG 35 1HH1 ARG 35 -8.327 1.231 -6.631 263 HH12 ARG 35 2HH1 ARG 35 -8.412 2.188 -8.036 264 HH21 ARG 35 1HH2 ARG 35 -8.396 5.279 -6.346 265 HH22 ARG 35 2HH2 ARG 35 -8.504 4.504 -7.872 266 H GLY 36 HN GLY 36 -5.117 5.178 -1.439 267 HA2 GLY 36 2HA GLY 36 -7.754 6.337 -1.241 268 HA3 GLY 36 1HA GLY 36 -6.431 6.518 -0.099 269 H PHE 37 HN PHE 37 -7.901 8.658 -0.634 270 HA PHE 37 HA PHE 37 -6.702 10.327 -2.708 271 HB2 PHE 37 2HB PHE 37 -8.386 11.287 -0.396 272 HB3 PHE 37 1HB PHE 37 -8.180 12.039 -1.968 273 HD1 PHE 37 1HD PHE 37 -9.337 11.042 -3.958 274 HD2 PHE 37 2HD PHE 37 -10.016 9.698 0.019 275 HE1 PHE 37 1HE PHE 37 -11.434 9.969 -4.676 276 HE2 PHE 37 2HE PHE 37 -12.070 8.629 -0.660 277 HZ PHE 37 HZ PHE 37 -12.816 8.751 -3.027 278 H ARG 38 HN ARG 38 -6.376 9.521 0.571 279 HA ARG 38 HA ARG 38 -4.916 11.848 1.399 280 HB2 ARG 38 2HB ARG 38 -5.505 9.253 2.830 281 HB3 ARG 38 1HB ARG 38 -4.790 10.681 3.573 282 HG2 ARG 38 2HG ARG 38 -6.809 11.968 3.046 283 HG3 ARG 38 1HG ARG 38 -7.529 10.547 2.309 284 HD2 ARG 38 2HD ARG 38 -6.691 10.764 5.195 285 HD3 ARG 38 1HD ARG 38 -8.335 10.979 4.604 286 HE ARG 38 HE ARG 38 -6.810 8.461 4.446 287 HH11 ARG 38 1HH1 ARG 38 -9.900 10.170 4.843 288 HH12 ARG 38 2HH1 ARG 38 -10.815 8.769 5.110 289 HH21 ARG 38 1HH2 ARG 38 -8.076 6.519 4.829 290 HH22 ARG 38 2HH2 ARG 38 -9.742 6.618 5.090 291 H ARG 39 HN ARG 39 -3.955 9.665 -0.604 292 HA ARG 39 HA ARG 39 -2.005 8.892 -1.407 293 HB2 ARG 39 2HB ARG 39 -0.787 10.966 0.428 294 HB3 ARG 39 1HB ARG 39 0.060 10.157 -0.888 295 HG2 ARG 39 2HG ARG 39 -1.531 11.117 -2.484 296 HG3 ARG 39 1HG ARG 39 -2.345 11.942 -1.157 297 HD2 ARG 39 2HD ARG 39 -0.234 13.148 -0.677 298 HD3 ARG 39 1HD ARG 39 0.485 12.368 -2.089 299 HE ARG 39 HE ARG 39 -1.933 13.625 -2.772 300 HH11 ARG 39 1HH1 ARG 39 1.482 14.357 -2.171 301 HH12 ARG 39 2HH1 ARG 39 1.463 15.856 -2.966 302 HH21 ARG 39 1HH2 ARG 39 -1.960 15.706 -3.889 303 HH22 ARG 39 2HH2 ARG 39 -0.534 16.633 -3.975 304 H ARG 40 HN ARG 40 -2.959 7.169 0.224 305 HA ARG 40 HA ARG 40 -0.781 6.364 2.014 306 HB2 ARG 40 2HB ARG 40 -3.723 5.682 2.166 307 HB3 ARG 40 1HB ARG 40 -2.484 5.021 3.220 308 HG2 ARG 40 2HG ARG 40 -3.250 7.932 3.021 309 HG3 ARG 40 1HG ARG 40 -3.737 6.814 4.295 310 HD2 ARG 40 2HD ARG 40 -0.897 7.622 3.654 311 HD3 ARG 40 1HD ARG 40 -1.865 8.231 4.991 312 HE ARG 40 HE ARG 40 -1.865 5.489 5.220 313 HH11 ARG 40 1HH1 ARG 40 0.541 8.071 5.343 314 HH12 ARG 40 2HH1 ARG 40 1.535 7.301 6.477 315 HH21 ARG 40 1HH2 ARG 40 -0.430 4.352 6.750 316 HH22 ARG 40 2HH2 ARG 40 0.987 5.144 7.260 317 H CYS 41 HN CYS 41 0.121 4.433 1.716 318 HA CYS 41 HA CYS 41 -0.251 3.165 -0.787 319 HB2 CYS 41 2HB CYS 41 1.966 3.337 0.187 320 HB3 CYS 41 1HB CYS 41 1.445 2.451 1.612 321 H PHE 42 HN PHE 42 -1.527 1.532 -1.273 322 HA PHE 42 HA PHE 42 -2.678 0.016 0.903 323 HB2 PHE 42 2HB PHE 42 -3.799 0.984 -1.663 324 HB3 PHE 42 1HB PHE 42 -4.324 -0.575 -1.042 325 HD1 PHE 42 1HD PHE 42 -6.227 -0.591 0.172 326 HD2 PHE 42 2HD PHE 42 -3.767 2.873 0.309 327 HE1 PHE 42 1HE PHE 42 -7.833 0.479 1.683 328 HE2 PHE 42 2HE PHE 42 -5.381 3.956 1.829 329 HZ PHE 42 HZ PHE 42 -7.416 2.749 2.515 330 H CYS 43 HN CYS 43 -2.077 -1.820 1.087 331 HA CYS 43 HA CYS 43 -0.202 -3.068 -0.591 332 HB2 CYS 43 2HB CYS 43 -1.718 -4.039 1.803 333 HB3 CYS 43 1HB CYS 43 -0.300 -4.813 1.095 334 H THR 44 HN THR 44 -0.556 -4.332 -2.178 335 HA THR 44 HA THR 44 -3.237 -5.096 -2.943 336 HB THR 44 HB THR 44 -0.555 -5.423 -4.307 337 HG1 THR 44 1HG THR 44 -1.804 -3.257 -3.737 338 HG21 THR 44 1HG2 THR 44 -3.373 -5.538 -5.413 339 HG22 THR 44 2HG2 THR 44 -2.302 -6.923 -5.196 340 HG23 THR 44 3HG2 THR 44 -1.891 -5.661 -6.359 341 H THR 45 HN THR 45 -4.001 -7.054 -2.360 342 HA THR 45 HA THR 45 -2.099 -9.222 -1.915 343 HB THR 45 HB THR 45 -2.991 -8.189 0.220 344 HG1 THR 45 1HG THR 45 -2.930 -10.128 1.157 345 HG21 THR 45 1HG2 THR 45 -5.284 -7.731 -0.464 346 HG22 THR 45 2HG2 THR 45 -5.264 -8.815 0.929 347 HG23 THR 45 3HG2 THR 45 -5.576 -9.458 -0.683 348 H HIS 46 HN HIS 46 -3.223 -11.317 -1.972 349 HA HIS 46 HA HIS 46 -4.851 -11.453 -4.381 350 HB2 HIS 46 2HB HIS 46 -2.792 -12.843 -4.124 351 HB3 HIS 46 1HB HIS 46 -3.540 -13.652 -2.758 352 HD1 HIS 46 1HD HIS 46 -5.186 -15.592 -3.310 353 HD2 HIS 46 2HD HIS 46 -3.849 -13.489 -6.636 354 HE1 HIS 46 1HE HIS 46 -5.875 -16.954 -5.298 355 H CYS 47 HN CYS 47 -6.969 -11.966 -4.347 356 HA CYS 47 HA CYS 47 -8.019 -13.033 -1.881 357 HB2 CYS 47 2HB CYS 47 -9.253 -11.067 -3.757 358 HB3 CYS 47 1HB CYS 47 -10.276 -12.088 -2.748 Start of MODEL 19 1 H1 ARG 1 1HT ARG 1 -12.483 -5.884 -6.361 2 H2 ARG 1 2HT ARG 1 -12.845 -7.483 -6.034 3 H3 ARG 1 3HT ARG 1 -13.804 -6.606 -7.096 4 HA ARG 1 HA ARG 1 -12.405 -8.142 -8.257 5 HB2 ARG 1 2HB ARG 1 -13.053 -6.058 -9.370 6 HB3 ARG 1 1HB ARG 1 -11.660 -5.239 -8.690 7 HG2 ARG 1 2HG ARG 1 -11.324 -5.816 -11.045 8 HG3 ARG 1 1HG ARG 1 -10.163 -6.636 -9.999 9 HD2 ARG 1 2HD ARG 1 -11.507 -8.664 -10.101 10 HD3 ARG 1 1HD ARG 1 -12.681 -7.850 -11.136 11 HE ARG 1 HE ARG 1 -10.326 -7.558 -12.417 12 HH11 ARG 1 1HH1 ARG 1 -12.133 -10.382 -11.216 13 HH12 ARG 1 2HH1 ARG 1 -11.530 -11.425 -12.409 14 HH21 ARG 1 1HH2 ARG 1 -9.518 -9.011 -14.037 15 HH22 ARG 1 2HH2 ARG 1 -10.012 -10.646 -14.041 16 H THR 2 HN THR 2 -10.525 -5.898 -6.218 17 HA THR 2 HA THR 2 -8.487 -7.925 -6.239 18 HB THR 2 HB THR 2 -7.610 -6.226 -7.736 19 HG1 THR 2 1HG THR 2 -5.722 -6.419 -6.884 20 HG21 THR 2 1HG2 THR 2 -8.895 -4.293 -7.025 21 HG22 THR 2 2HG2 THR 2 -7.172 -3.914 -6.964 22 HG23 THR 2 3HG2 THR 2 -8.052 -4.273 -5.478 23 H CYS 3 HN CYS 3 -7.115 -7.644 -4.447 24 HA CYS 3 HA CYS 3 -8.682 -6.740 -2.129 25 HB2 CYS 3 2HB CYS 3 -6.617 -8.913 -2.220 26 HB3 CYS 3 1HB CYS 3 -7.620 -8.504 -0.840 27 H GLN 4 HN GLN 4 -7.797 -5.130 -1.084 28 HA GLN 4 HA GLN 4 -4.896 -4.836 -1.064 29 HB2 GLN 4 2HB GLN 4 -6.796 -2.580 -1.741 30 HB3 GLN 4 1HB GLN 4 -5.075 -2.416 -1.438 31 HG2 GLN 4 2HG GLN 4 -4.632 -3.863 -3.397 32 HG3 GLN 4 1HG GLN 4 -6.363 -3.885 -3.726 33 HE21 GLN 4 1HE2 GLN 4 -6.092 -2.907 -5.702 34 HE22 GLN 4 2HE2 GLN 4 -5.676 -1.237 -5.868 35 H SER 5 HN SER 5 -4.119 -4.251 0.806 36 HA SER 5 HA SER 5 -6.031 -3.444 2.859 37 HB2 SER 5 2HB SER 5 -3.584 -5.188 3.168 38 HB3 SER 5 1HB SER 5 -4.710 -4.701 4.443 39 HG SER 5 HG SER 5 -6.349 -5.657 3.008 40 H GLN 6 HN GLN 6 -5.598 -1.596 3.802 41 HA GLN 6 HA GLN 6 -3.417 0.038 3.039 42 HB2 GLN 6 2HB GLN 6 -4.310 1.585 4.825 43 HB3 GLN 6 1HB GLN 6 -5.479 1.104 3.607 44 HG2 GLN 6 2HG GLN 6 -6.309 -0.633 5.219 45 HG3 GLN 6 1HG GLN 6 -5.252 0.081 6.427 46 HE21 GLN 6 1HE2 GLN 6 -6.987 0.594 7.722 47 HE22 GLN 6 2HE2 GLN 6 -8.086 1.869 7.372 48 H SER 7 HN SER 7 -1.400 0.078 3.781 49 HA SER 7 HA SER 7 -0.629 -1.665 5.876 50 HB2 SER 7 2HB SER 7 0.885 -1.260 4.003 51 HB3 SER 7 1HB SER 7 1.000 0.446 4.447 52 HG SER 7 HG SER 7 1.712 -1.705 6.158 53 H HIS 8 HN HIS 8 -0.378 -1.319 7.901 54 HA HIS 8 HA HIS 8 -1.219 1.188 9.069 55 HB2 HIS 8 2HB HIS 8 -1.865 -1.163 9.791 56 HB3 HIS 8 1HB HIS 8 -0.229 -1.267 10.417 57 HD1 HIS 8 1HD HIS 8 0.091 -0.464 12.817 58 HD2 HIS 8 2HD HIS 8 -3.384 1.000 11.071 59 HE1 HIS 8 1HE HIS 8 -1.175 0.694 14.655 60 H ARG 9 HN ARG 9 1.689 -0.669 8.578 61 HA ARG 9 HA ARG 9 3.150 0.967 10.489 62 HB2 ARG 9 2HB ARG 9 5.051 -0.529 10.112 63 HB3 ARG 9 1HB ARG 9 3.605 -1.448 10.490 64 HG2 ARG 9 2HG ARG 9 3.317 -1.941 8.102 65 HG3 ARG 9 1HG ARG 9 4.793 -1.035 7.769 66 HD2 ARG 9 2HD ARG 9 5.225 -3.422 7.808 67 HD3 ARG 9 1HD ARG 9 6.071 -2.631 9.150 68 HE ARG 9 HE ARG 9 3.512 -4.054 9.409 69 HH11 ARG 9 1HH1 ARG 9 6.879 -3.595 10.468 70 HH12 ARG 9 2HH1 ARG 9 6.711 -4.475 11.907 71 HH21 ARG 9 1HH2 ARG 9 3.299 -5.332 11.418 72 HH22 ARG 9 2HH2 ARG 9 4.630 -5.482 12.471 73 H PHE 10 HN PHE 10 2.132 1.570 7.573 74 HA PHE 10 HA PHE 10 4.554 2.484 6.325 75 HB2 PHE 10 2HB PHE 10 2.608 1.707 4.971 76 HB3 PHE 10 1HB PHE 10 1.675 3.079 5.562 77 HD1 PHE 10 1HD PHE 10 4.726 2.175 3.673 78 HD2 PHE 10 2HD PHE 10 1.783 5.145 4.445 79 HE1 PHE 10 1HE PHE 10 5.640 3.545 1.856 80 HE2 PHE 10 2HE PHE 10 2.684 6.508 2.634 81 HZ PHE 10 HZ PHE 10 4.616 5.721 1.330 82 H ARG 11 HN ARG 11 4.951 4.723 5.819 83 HA ARG 11 HA ARG 11 3.848 6.617 7.705 84 HB2 ARG 11 2HB ARG 11 6.240 7.315 8.243 85 HB3 ARG 11 1HB ARG 11 5.652 5.832 8.980 86 HG2 ARG 11 2HG ARG 11 6.802 4.558 7.169 87 HG3 ARG 11 1HG ARG 11 7.502 6.080 6.618 88 HD2 ARG 11 2HD ARG 11 8.638 6.372 8.700 89 HD3 ARG 11 1HD ARG 11 7.781 4.994 9.391 90 HE ARG 11 HE ARG 11 9.441 4.487 7.056 91 HH11 ARG 11 1HH1 ARG 11 9.126 4.255 10.587 92 HH12 ARG 11 2HH1 ARG 11 10.346 3.092 10.765 93 HH21 ARG 11 1HH2 ARG 11 11.066 2.871 7.292 94 HH22 ARG 11 2HH2 ARG 11 11.486 2.247 8.815 95 H GLY 12 HN GLY 12 3.127 8.156 6.373 96 HA2 GLY 12 2HA GLY 12 3.775 10.180 5.270 97 HA3 GLY 12 1HA GLY 12 5.078 9.286 4.500 98 HA PRO 13 HA PRO 13 1.718 9.284 1.433 99 HB2 PRO 13 2HB PRO 13 3.084 10.393 -0.595 100 HB3 PRO 13 1HB PRO 13 2.360 11.362 0.693 101 HG2 PRO 13 2HG PRO 13 5.200 10.740 0.174 102 HG3 PRO 13 1HG PRO 13 4.492 12.093 1.066 103 HD2 PRO 13 2HD PRO 13 5.624 9.673 2.138 104 HD3 PRO 13 1HD PRO 13 4.888 11.021 3.023 105 H CYS 14 HN CYS 14 1.293 7.709 -0.030 106 HA CYS 14 HA CYS 14 3.022 5.500 -0.434 107 HB2 CYS 14 2HB CYS 14 1.253 4.726 -1.966 108 HB3 CYS 14 1HB CYS 14 0.613 5.282 -0.418 109 H LEU 15 HN LEU 15 3.099 8.474 -1.866 110 HA LEU 15 HA LEU 15 3.465 7.954 -4.588 111 HB2 LEU 15 2HB LEU 15 4.330 10.249 -2.849 112 HB3 LEU 15 1HB LEU 15 4.781 10.188 -4.535 113 HG LEU 15 HG LEU 15 2.360 10.165 -5.144 114 HD11 LEU 15 1HD1 LEU 15 1.867 10.713 -2.229 115 HD12 LEU 15 2HD1 LEU 15 1.444 9.235 -3.089 116 HD13 LEU 15 3HD1 LEU 15 0.674 10.761 -3.529 117 HD21 LEU 15 1HD2 LEU 15 1.935 12.522 -4.605 118 HD22 LEU 15 2HD2 LEU 15 3.567 12.238 -5.198 119 HD23 LEU 15 3HD2 LEU 15 3.288 12.489 -3.473 120 H ARG 16 HN ARG 16 5.571 7.542 -1.914 121 HA ARG 16 HA ARG 16 7.828 7.077 -3.649 122 HB2 ARG 16 2HB ARG 16 7.549 6.468 -0.690 123 HB3 ARG 16 1HB ARG 16 9.039 6.388 -1.612 124 HG2 ARG 16 2HG ARG 16 7.453 8.841 -0.894 125 HG3 ARG 16 1HG ARG 16 9.056 8.377 -0.327 126 HD2 ARG 16 2HD ARG 16 8.325 9.109 -3.161 127 HD3 ARG 16 1HD ARG 16 9.158 10.147 -2.012 128 HE ARG 16 HE ARG 16 10.619 7.778 -2.299 129 HH11 ARG 16 1HH1 ARG 16 9.736 10.602 -4.233 130 HH12 ARG 16 2HH1 ARG 16 11.159 10.591 -5.163 131 HH21 ARG 16 1HH2 ARG 16 12.535 7.748 -3.559 132 HH22 ARG 16 2HH2 ARG 16 12.809 8.907 -4.777 133 H ARG 17 HN ARG 17 7.090 5.587 -4.945 134 HA ARG 17 HA ARG 17 5.471 3.381 -4.485 135 HB2 ARG 17 2HB ARG 17 7.635 3.632 -6.558 136 HB3 ARG 17 1HB ARG 17 6.250 2.555 -6.619 137 HG2 ARG 17 2HG ARG 17 4.749 4.430 -6.792 138 HG3 ARG 17 1HG ARG 17 6.094 5.561 -6.620 139 HD2 ARG 17 2HD ARG 17 7.098 4.600 -8.662 140 HD3 ARG 17 1HD ARG 17 5.673 3.579 -8.840 141 HE ARG 17 HE ARG 17 4.732 6.129 -8.648 142 HH11 ARG 17 1HH1 ARG 17 7.017 4.492 -10.794 143 HH12 ARG 17 2HH1 ARG 17 6.584 5.398 -12.168 144 HH21 ARG 17 1HH2 ARG 17 4.149 7.382 -10.559 145 HH22 ARG 17 2HH2 ARG 17 4.948 7.050 -12.034 146 H SER 18 HN SER 18 8.993 3.608 -4.474 147 HA SER 18 HA SER 18 9.519 0.879 -4.208 148 HB2 SER 18 2HB SER 18 11.241 3.185 -3.285 149 HB3 SER 18 1HB SER 18 11.765 1.591 -3.832 150 HG SER 18 HG SER 18 11.715 3.581 -5.333 151 H ASN 19 HN ASN 19 9.175 3.504 -1.835 152 HA ASN 19 HA ASN 19 9.751 1.836 0.408 153 HB2 ASN 19 2HB ASN 19 8.420 4.554 0.306 154 HB3 ASN 19 1HB ASN 19 8.753 3.695 1.802 155 HD21 ASN 19 1HD2 ASN 19 10.923 3.411 2.434 156 HD22 ASN 19 2HD2 ASN 19 12.176 4.430 1.834 157 H CYS 20 HN CYS 20 6.780 2.938 -1.116 158 HA CYS 20 HA CYS 20 4.922 1.902 0.705 159 HB2 CYS 20 2HB CYS 20 4.451 3.487 -1.190 160 HB3 CYS 20 1HB CYS 20 4.677 2.165 -2.313 161 H ALA 21 HN ALA 21 6.433 0.409 -2.157 162 HA ALA 21 HA ALA 21 5.156 -2.085 -1.880 163 HB1 ALA 21 1HB ALA 21 6.197 -1.333 -3.968 164 HB2 ALA 21 2HB ALA 21 6.814 -2.904 -3.453 165 HB3 ALA 21 3HB ALA 21 7.785 -1.451 -3.209 166 H ASN 22 HN ASN 22 8.244 -0.849 -0.667 167 HA ASN 22 HA ASN 22 9.234 -3.247 0.426 168 HB2 ASN 22 2HB ASN 22 10.739 -1.380 0.192 169 HB3 ASN 22 1HB ASN 22 9.729 -0.371 1.216 170 HD21 ASN 22 1HD2 ASN 22 12.039 -2.977 1.164 171 HD22 ASN 22 2HD2 ASN 22 12.404 -2.961 2.847 172 H VAL 23 HN VAL 23 7.285 -0.689 1.913 173 HA VAL 23 HA VAL 23 7.200 -1.905 4.434 174 HB VAL 23 HB VAL 23 5.264 0.099 3.214 175 HG11 VAL 23 1HG1 VAL 23 4.231 -1.130 5.104 176 HG12 VAL 23 2HG1 VAL 23 4.562 0.538 5.543 177 HG13 VAL 23 3HG1 VAL 23 5.642 -0.746 6.079 178 HG21 VAL 23 1HG2 VAL 23 6.507 1.724 4.599 179 HG22 VAL 23 2HG2 VAL 23 7.541 0.942 3.404 180 HG23 VAL 23 3HG2 VAL 23 7.604 0.435 5.091 181 H CYS 24 HN CYS 24 4.988 -2.063 1.669 182 HA CYS 24 HA CYS 24 3.214 -3.801 2.927 183 HB2 CYS 24 2HB CYS 24 3.777 -3.247 0.043 184 HB3 CYS 24 1HB CYS 24 2.533 -4.389 0.546 185 H ARG 25 HN ARG 25 6.210 -4.418 1.267 186 HA ARG 25 HA ARG 25 5.974 -7.202 1.043 187 HB2 ARG 25 2HB ARG 25 7.688 -5.923 -0.150 188 HB3 ARG 25 1HB ARG 25 8.430 -5.465 1.365 189 HG2 ARG 25 2HG ARG 25 9.717 -7.180 0.179 190 HG3 ARG 25 1HG ARG 25 9.152 -7.759 1.742 191 HD2 ARG 25 2HD ARG 25 7.639 -8.316 -0.789 192 HD3 ARG 25 1HD ARG 25 9.003 -9.325 -0.303 193 HE ARG 25 HE ARG 25 7.475 -9.253 1.895 194 HH11 ARG 25 1HH1 ARG 25 6.668 -10.027 -1.460 195 HH12 ARG 25 2HH1 ARG 25 5.485 -11.180 -1.059 196 HH21 ARG 25 1HH2 ARG 25 5.881 -10.808 2.456 197 HH22 ARG 25 2HH2 ARG 25 5.014 -11.643 1.247 198 H THR 26 HN THR 26 7.395 -5.197 3.632 199 HA THR 26 HA THR 26 7.878 -7.476 5.247 200 HB THR 26 HB THR 26 9.259 -5.513 5.632 201 HG1 THR 26 1HG THR 26 9.155 -6.598 7.464 202 HG21 THR 26 1HG2 THR 26 8.402 -3.442 6.625 203 HG22 THR 26 2HG2 THR 26 6.760 -4.090 6.525 204 HG23 THR 26 3HG2 THR 26 7.676 -3.775 5.052 205 H GLU 27 HN GLU 27 5.084 -5.509 4.756 206 HA GLU 27 HA GLU 27 3.541 -6.372 6.978 207 HB2 GLU 27 2HB GLU 27 2.808 -5.331 4.260 208 HB3 GLU 27 1HB GLU 27 1.584 -5.775 5.440 209 HG2 GLU 27 2HG GLU 27 3.736 -3.767 5.990 210 HG3 GLU 27 1HG GLU 27 2.199 -3.340 5.248 211 H GLY 28 HN GLY 28 4.615 -8.042 4.216 212 HA2 GLY 28 2HA GLY 28 4.380 -10.404 4.034 213 HA3 GLY 28 1HA GLY 28 2.842 -10.287 4.880 214 H PHE 29 HN PHE 29 3.477 -7.996 2.384 215 HA PHE 29 HA PHE 29 1.669 -9.462 0.630 216 HB2 PHE 29 2HB PHE 29 1.821 -6.501 1.191 217 HB3 PHE 29 1HB PHE 29 0.822 -7.214 -0.071 218 HD1 PHE 29 1HD PHE 29 0.853 -6.099 3.257 219 HD2 PHE 29 2HD PHE 29 -0.741 -9.125 0.755 220 HE1 PHE 29 1HE PHE 29 -0.964 -6.466 4.878 221 HE2 PHE 29 2HE PHE 29 -2.567 -9.497 2.331 222 HZ PHE 29 HZ PHE 29 -2.688 -8.167 4.419 223 HA PRO 30 HA PRO 30 4.746 -9.283 -2.460 224 HB2 PRO 30 2HB PRO 30 3.279 -9.003 -4.739 225 HB3 PRO 30 1HB PRO 30 3.372 -10.509 -3.820 226 HG2 PRO 30 2HG PRO 30 1.256 -8.394 -3.776 227 HG3 PRO 30 1HG PRO 30 1.070 -10.155 -3.820 228 HD2 PRO 30 2HD PRO 30 0.792 -8.766 -1.544 229 HD3 PRO 30 1HD PRO 30 1.516 -10.383 -1.560 230 H GLY 31 HN GLY 31 2.572 -6.555 -2.253 231 HA2 GLY 31 2HA GLY 31 4.593 -4.694 -2.684 232 HA3 GLY 31 1HA GLY 31 3.746 -4.929 -4.209 233 H GLY 32 HN GLY 32 3.682 -2.467 -3.080 234 HA2 GLY 32 2HA GLY 32 0.884 -2.246 -2.408 235 HA3 GLY 32 1HA GLY 32 2.058 -1.565 -1.278 236 H ARG 33 HN ARG 33 0.031 -0.337 -3.040 237 HA ARG 33 HA ARG 33 1.759 1.682 -4.238 238 HB2 ARG 33 2HB ARG 33 -0.438 0.276 -5.790 239 HB3 ARG 33 1HB ARG 33 0.400 1.715 -6.323 240 HG2 ARG 33 2HG ARG 33 1.677 -0.982 -5.888 241 HG3 ARG 33 1HG ARG 33 1.172 -0.332 -7.446 242 HD2 ARG 33 2HD ARG 33 3.294 0.794 -5.613 243 HD3 ARG 33 1HD ARG 33 3.558 -0.027 -7.150 244 HE ARG 33 HE ARG 33 2.430 2.630 -6.738 245 HH11 ARG 33 1HH1 ARG 33 3.763 0.208 -8.959 246 HH12 ARG 33 2HH1 ARG 33 3.858 1.249 -10.284 247 HH21 ARG 33 1HH2 ARG 33 2.529 4.076 -8.609 248 HH22 ARG 33 2HH2 ARG 33 3.117 3.469 -10.094 249 H CYS 34 HN CYS 34 0.387 3.573 -4.924 250 HA CYS 34 HA CYS 34 -1.380 4.459 -2.950 251 HB2 CYS 34 2HB CYS 34 -0.986 5.401 -5.792 252 HB3 CYS 34 1HB CYS 34 -1.947 6.258 -4.591 253 H ARG 35 HN ARG 35 -3.552 4.506 -2.795 254 HA ARG 35 HA ARG 35 -4.997 2.933 -4.828 255 HB2 ARG 35 2HB ARG 35 -5.025 1.911 -2.593 256 HB3 ARG 35 1HB ARG 35 -5.733 3.371 -1.930 257 HG2 ARG 35 2HG ARG 35 -7.399 1.611 -2.219 258 HG3 ARG 35 1HG ARG 35 -7.756 3.003 -3.241 259 HD2 ARG 35 2HD ARG 35 -6.873 1.873 -5.175 260 HD3 ARG 35 1HD ARG 35 -6.314 0.533 -4.169 261 HE ARG 35 HE ARG 35 -8.931 0.554 -3.669 262 HH11 ARG 35 1HH1 ARG 35 -7.256 0.667 -6.795 263 HH12 ARG 35 2HH1 ARG 35 -8.391 -0.319 -7.581 264 HH21 ARG 35 1HH2 ARG 35 -10.478 -0.753 -4.749 265 HH22 ARG 35 2HH2 ARG 35 -10.306 -1.123 -6.405 266 H GLY 36 HN GLY 36 -5.650 5.488 -2.445 267 HA2 GLY 36 2HA GLY 36 -7.379 6.708 -4.448 268 HA3 GLY 36 1HA GLY 36 -7.578 6.868 -2.706 269 H PHE 37 HN PHE 37 -7.588 9.141 -3.744 270 HA PHE 37 HA PHE 37 -5.086 10.293 -4.442 271 HB2 PHE 37 2HB PHE 37 -7.165 11.168 -5.345 272 HB3 PHE 37 1HB PHE 37 -7.750 11.538 -3.734 273 HD1 PHE 37 1HD PHE 37 -5.310 12.487 -6.331 274 HD2 PHE 37 2HD PHE 37 -7.157 13.538 -2.661 275 HE1 PHE 37 1HE PHE 37 -4.380 14.757 -6.518 276 HE2 PHE 37 2HE PHE 37 -6.252 15.783 -2.816 277 HZ PHE 37 HZ PHE 37 -4.846 16.424 -4.761 278 H ARG 38 HN ARG 38 -6.486 9.530 -1.431 279 HA ARG 38 HA ARG 38 -5.212 11.661 0.017 280 HB2 ARG 38 2HB ARG 38 -6.735 9.253 0.989 281 HB3 ARG 38 1HB ARG 38 -5.955 10.385 2.080 282 HG2 ARG 38 2HG ARG 38 -8.041 11.156 0.048 283 HG3 ARG 38 1HG ARG 38 -8.372 10.859 1.765 284 HD2 ARG 38 2HD ARG 38 -6.623 13.015 0.554 285 HD3 ARG 38 1HD ARG 38 -8.178 13.231 1.340 286 HE ARG 38 HE ARG 38 -6.890 12.178 3.339 287 HH11 ARG 38 1HH1 ARG 38 -5.708 14.660 1.084 288 HH12 ARG 38 2HH1 ARG 38 -4.551 15.271 2.189 289 HH21 ARG 38 1HH2 ARG 38 -5.339 13.076 4.809 290 HH22 ARG 38 2HH2 ARG 38 -4.353 14.385 4.343 291 H ARG 39 HN ARG 39 -3.790 9.363 -1.487 292 HA ARG 39 HA ARG 39 -1.603 8.767 -1.579 293 HB2 ARG 39 2HB ARG 39 -1.251 10.654 0.757 294 HB3 ARG 39 1HB ARG 39 0.017 10.077 -0.314 295 HG2 ARG 39 2HG ARG 39 -0.958 11.260 -2.179 296 HG3 ARG 39 1HG ARG 39 -2.336 11.737 -1.192 297 HD2 ARG 39 2HD ARG 39 -0.773 12.990 0.282 298 HD3 ARG 39 1HD ARG 39 0.534 12.584 -0.829 299 HE ARG 39 HE ARG 39 -1.200 13.694 -2.481 300 HH11 ARG 39 1HH1 ARG 39 -0.074 14.825 0.691 301 HH12 ARG 39 2HH1 ARG 39 -0.263 16.470 0.332 302 HH21 ARG 39 1HH2 ARG 39 -1.477 16.019 -2.961 303 HH22 ARG 39 2HH2 ARG 39 -1.090 17.158 -1.759 304 H ARG 40 HN ARG 40 -3.410 7.206 0.143 305 HA ARG 40 HA ARG 40 -1.593 6.318 2.231 306 HB2 ARG 40 2HB ARG 40 -4.418 5.422 1.617 307 HB3 ARG 40 1HB ARG 40 -3.461 4.857 2.983 308 HG2 ARG 40 2HG ARG 40 -3.372 7.191 3.821 309 HG3 ARG 40 1HG ARG 40 -4.425 7.674 2.493 310 HD2 ARG 40 2HD ARG 40 -5.773 7.383 4.458 311 HD3 ARG 40 1HD ARG 40 -6.125 6.063 3.346 312 HE ARG 40 HE ARG 40 -4.111 5.245 5.094 313 HH11 ARG 40 1HH1 ARG 40 -7.587 6.013 5.226 314 HH12 ARG 40 2HH1 ARG 40 -7.886 5.021 6.577 315 HH21 ARG 40 1HH2 ARG 40 -4.560 3.871 6.961 316 HH22 ARG 40 2HH2 ARG 40 -6.126 3.773 7.575 317 H CYS 41 HN CYS 41 -0.699 4.311 2.323 318 HA CYS 41 HA CYS 41 -0.185 3.129 -0.274 319 HB2 CYS 41 2HB CYS 41 1.679 3.713 1.246 320 HB3 CYS 41 1HB CYS 41 1.045 2.597 2.441 321 H PHE 42 HN PHE 42 -1.421 1.537 -0.951 322 HA PHE 42 HA PHE 42 -2.575 -0.250 1.037 323 HB2 PHE 42 2HB PHE 42 -3.564 0.699 -1.600 324 HB3 PHE 42 1HB PHE 42 -4.084 -0.858 -0.987 325 HD1 PHE 42 1HD PHE 42 -5.906 -0.997 0.427 326 HD2 PHE 42 2HD PHE 42 -3.913 2.740 -0.013 327 HE1 PHE 42 1HE PHE 42 -7.664 0.088 1.732 328 HE2 PHE 42 2HE PHE 42 -5.686 3.829 1.304 329 HZ PHE 42 HZ PHE 42 -7.557 2.501 2.181 330 H CYS 43 HN CYS 43 -1.865 -2.107 1.151 331 HA CYS 43 HA CYS 43 0.076 -3.175 -0.654 332 HB2 CYS 43 2HB CYS 43 -1.269 -4.381 1.755 333 HB3 CYS 43 1HB CYS 43 0.231 -4.918 1.002 334 H THR 44 HN THR 44 -0.446 -4.407 -2.324 335 HA THR 44 HA THR 44 -3.212 -5.207 -2.663 336 HB THR 44 HB THR 44 -0.893 -5.456 -4.595 337 HG1 THR 44 1HG THR 44 -1.961 -3.300 -3.574 338 HG21 THR 44 1HG2 THR 44 -2.904 -6.778 -5.167 339 HG22 THR 44 2HG2 THR 44 -2.685 -5.431 -6.288 340 HG23 THR 44 3HG2 THR 44 -3.895 -5.327 -5.011 341 H THR 45 HN THR 45 -3.892 -7.306 -2.656 342 HA THR 45 HA THR 45 -1.948 -9.437 -2.537 343 HB THR 45 HB THR 45 -2.343 -8.738 -0.199 344 HG1 THR 45 1HG THR 45 -3.667 -11.017 0.127 345 HG21 THR 45 1HG2 THR 45 -4.608 -7.840 -0.403 346 HG22 THR 45 2HG2 THR 45 -4.527 -9.059 0.868 347 HG23 THR 45 3HG2 THR 45 -5.232 -9.465 -0.695 348 H HIS 46 HN HIS 46 -3.207 -11.537 -2.592 349 HA HIS 46 HA HIS 46 -5.601 -11.221 -4.253 350 HB2 HIS 46 2HB HIS 46 -3.507 -13.405 -4.266 351 HB3 HIS 46 1HB HIS 46 -5.047 -13.538 -5.107 352 HD1 HIS 46 1HD HIS 46 -1.687 -11.906 -5.357 353 HD2 HIS 46 2HD HIS 46 -5.327 -11.915 -7.341 354 HE1 HIS 46 1HE HIS 46 -1.273 -10.748 -7.547 355 H CYS 47 HN CYS 47 -7.417 -12.205 -3.618 356 HA CYS 47 HA CYS 47 -7.319 -13.519 -1.049 357 HB2 CYS 47 2HB CYS 47 -9.641 -12.532 -2.717 358 HB3 CYS 47 1HB CYS 47 -9.808 -13.314 -1.149 Start of MODEL 20 1 H1 ARG 1 1HT ARG 1 -11.136 -10.402 -7.945 2 H2 ARG 1 2HT ARG 1 -10.459 -8.996 -7.273 3 H3 ARG 1 3HT ARG 1 -10.803 -10.295 -6.303 4 HA ARG 1 HA ARG 1 -9.177 -11.644 -7.251 5 HB2 ARG 1 2HB ARG 1 -8.603 -9.248 -9.010 6 HB3 ARG 1 1HB ARG 1 -7.502 -10.604 -8.828 7 HG2 ARG 1 2HG ARG 1 -9.207 -12.105 -9.754 8 HG3 ARG 1 1HG ARG 1 -10.300 -10.734 -9.935 9 HD2 ARG 1 2HD ARG 1 -9.182 -11.294 -12.056 10 HD3 ARG 1 1HD ARG 1 -8.765 -9.677 -11.501 11 HE ARG 1 HE ARG 1 -6.874 -11.605 -10.613 12 HH11 ARG 1 1HH1 ARG 1 -7.794 -9.800 -13.520 13 HH12 ARG 1 2HH1 ARG 1 -6.232 -9.790 -14.185 14 HH21 ARG 1 1HH2 ARG 1 -4.706 -11.581 -11.530 15 HH22 ARG 1 2HH2 ARG 1 -4.434 -10.805 -13.019 16 H THR 2 HN THR 2 -8.196 -8.180 -7.184 17 HA THR 2 HA THR 2 -6.373 -8.845 -5.059 18 HB THR 2 HB THR 2 -5.536 -6.502 -5.654 19 HG1 THR 2 1HG THR 2 -6.139 -5.936 -7.829 20 HG21 THR 2 1HG2 THR 2 -4.288 -7.357 -7.602 21 HG22 THR 2 2HG2 THR 2 -5.422 -8.701 -7.736 22 HG23 THR 2 3HG2 THR 2 -4.373 -8.571 -6.326 23 H CYS 3 HN CYS 3 -6.531 -8.027 -3.117 24 HA CYS 3 HA CYS 3 -8.663 -6.148 -2.483 25 HB2 CYS 3 2HB CYS 3 -7.435 -8.412 -0.865 26 HB3 CYS 3 1HB CYS 3 -8.600 -7.247 -0.208 27 H GLN 4 HN GLN 4 -8.038 -4.437 -1.190 28 HA GLN 4 HA GLN 4 -5.131 -4.052 -0.996 29 HB2 GLN 4 2HB GLN 4 -7.326 -2.028 -1.364 30 HB3 GLN 4 1HB GLN 4 -5.621 -1.666 -1.226 31 HG2 GLN 4 2HG GLN 4 -6.863 -3.295 -3.420 32 HG3 GLN 4 1HG GLN 4 -6.468 -1.590 -3.548 33 HE21 GLN 4 1HE2 GLN 4 -5.542 -3.700 -5.150 34 HE22 GLN 4 2HE2 GLN 4 -3.819 -3.741 -5.011 35 H SER 5 HN SER 5 -4.373 -3.775 0.979 36 HA SER 5 HA SER 5 -6.231 -3.017 3.120 37 HB2 SER 5 2HB SER 5 -5.378 -5.307 3.373 38 HB3 SER 5 1HB SER 5 -3.724 -4.718 3.249 39 HG SER 5 HG SER 5 -3.789 -3.992 5.194 40 H GLN 6 HN GLN 6 -5.866 -1.023 3.854 41 HA GLN 6 HA GLN 6 -3.708 0.565 3.065 42 HB2 GLN 6 2HB GLN 6 -4.488 2.159 4.858 43 HB3 GLN 6 1HB GLN 6 -5.722 1.669 3.711 44 HG2 GLN 6 2HG GLN 6 -6.574 0.051 5.359 45 HG3 GLN 6 1HG GLN 6 -5.357 0.614 6.501 46 HE21 GLN 6 1HE2 GLN 6 -8.281 0.643 6.650 47 HE22 GLN 6 2HE2 GLN 6 -8.708 2.282 6.932 48 H SER 7 HN SER 7 -1.714 0.698 3.670 49 HA SER 7 HA SER 7 -0.571 -1.084 5.478 50 HB2 SER 7 2HB SER 7 0.668 1.395 4.341 51 HB3 SER 7 1HB SER 7 1.430 -0.168 4.670 52 HG SER 7 HG SER 7 0.847 -0.768 2.713 53 H HIS 8 HN HIS 8 -0.645 -0.889 7.636 54 HA HIS 8 HA HIS 8 -1.267 1.590 8.948 55 HB2 HIS 8 2HB HIS 8 -2.200 -0.549 9.732 56 HB3 HIS 8 1HB HIS 8 -0.576 -1.120 10.086 57 HD1 HIS 8 1HD HIS 8 0.351 -0.567 12.387 58 HD2 HIS 8 2HD HIS 8 -3.086 1.570 11.449 59 HE1 HIS 8 1HE HIS 8 -0.312 0.640 14.488 60 H ARG 9 HN ARG 9 1.546 -0.523 8.767 61 HA ARG 9 HA ARG 9 3.033 1.366 10.375 62 HB2 ARG 9 2HB ARG 9 4.996 -0.211 10.012 63 HB3 ARG 9 1HB ARG 9 3.644 -0.789 10.966 64 HG2 ARG 9 2HG ARG 9 2.884 -2.161 9.181 65 HG3 ARG 9 1HG ARG 9 4.038 -1.434 8.057 66 HD2 ARG 9 2HD ARG 9 4.673 -3.688 8.961 67 HD3 ARG 9 1HD ARG 9 5.875 -2.413 9.167 68 HE ARG 9 HE ARG 9 4.562 -2.309 11.497 69 HH11 ARG 9 1HH1 ARG 9 5.759 -5.192 9.801 70 HH12 ARG 9 2HH1 ARG 9 6.325 -5.938 11.216 71 HH21 ARG 9 1HH2 ARG 9 5.309 -3.397 13.446 72 HH22 ARG 9 2HH2 ARG 9 6.030 -4.931 13.305 73 H PHE 10 HN PHE 10 2.089 1.844 7.551 74 HA PHE 10 HA PHE 10 4.611 2.569 6.317 75 HB2 PHE 10 2HB PHE 10 2.773 1.706 4.890 76 HB3 PHE 10 1HB PHE 10 1.760 3.055 5.398 77 HD1 PHE 10 1HD PHE 10 4.923 2.226 3.651 78 HD2 PHE 10 2HD PHE 10 1.834 5.083 4.247 79 HE1 PHE 10 1HE PHE 10 5.807 3.563 1.820 80 HE2 PHE 10 2HE PHE 10 2.712 6.426 2.408 81 HZ PHE 10 HZ PHE 10 4.707 5.678 1.184 82 H ARG 11 HN ARG 11 4.827 4.891 5.622 83 HA ARG 11 HA ARG 11 3.565 6.728 7.454 84 HB2 ARG 11 2HB ARG 11 5.642 7.652 8.271 85 HB3 ARG 11 1HB ARG 11 5.636 5.934 8.594 86 HG2 ARG 11 2HG ARG 11 7.096 7.254 6.323 87 HG3 ARG 11 1HG ARG 11 7.855 6.813 7.861 88 HD2 ARG 11 2HD ARG 11 6.708 5.025 5.711 89 HD3 ARG 11 1HD ARG 11 8.398 5.195 6.154 90 HE ARG 11 HE ARG 11 6.389 4.035 7.973 91 HH11 ARG 11 1HH1 ARG 11 9.641 3.988 6.607 92 HH12 ARG 11 2HH1 ARG 11 10.024 2.425 7.137 93 HH21 ARG 11 1HH2 ARG 11 6.876 1.838 8.692 94 HH22 ARG 11 2HH2 ARG 11 8.411 1.172 8.364 95 H GLY 12 HN GLY 12 3.150 8.621 6.491 96 HA2 GLY 12 2HA GLY 12 3.436 10.421 5.090 97 HA3 GLY 12 1HA GLY 12 4.794 9.592 4.339 98 HA PRO 13 HA PRO 13 1.416 9.038 1.364 99 HB2 PRO 13 2HB PRO 13 2.502 10.316 -0.713 100 HB3 PRO 13 1HB PRO 13 1.724 11.199 0.602 101 HG2 PRO 13 2HG PRO 13 4.597 10.922 -0.036 102 HG3 PRO 13 1HG PRO 13 3.759 12.219 0.828 103 HD2 PRO 13 2HD PRO 13 5.214 10.004 1.967 104 HD3 PRO 13 1HD PRO 13 4.328 11.280 2.818 105 H CYS 14 HN CYS 14 1.303 7.675 -0.414 106 HA CYS 14 HA CYS 14 3.245 5.591 -0.603 107 HB2 CYS 14 2HB CYS 14 1.739 4.684 -2.332 108 HB3 CYS 14 1HB CYS 14 0.881 5.145 -0.862 109 H LEU 15 HN LEU 15 3.342 8.580 -1.839 110 HA LEU 15 HA LEU 15 4.174 8.298 -4.509 111 HB2 LEU 15 2HB LEU 15 4.905 10.373 -2.451 112 HB3 LEU 15 1HB LEU 15 5.204 10.518 -4.173 113 HG LEU 15 HG LEU 15 2.461 10.270 -2.948 114 HD11 LEU 15 1HD1 LEU 15 3.528 12.361 -2.293 115 HD12 LEU 15 2HD1 LEU 15 2.219 12.638 -3.440 116 HD13 LEU 15 3HD1 LEU 15 3.893 12.706 -3.983 117 HD21 LEU 15 1HD2 LEU 15 2.580 9.454 -5.238 118 HD22 LEU 15 2HD2 LEU 15 3.366 10.948 -5.742 119 HD23 LEU 15 3HD2 LEU 15 1.702 10.980 -5.168 120 H ARG 16 HN ARG 16 5.722 7.826 -1.475 121 HA ARG 16 HA ARG 16 8.287 7.293 -2.709 122 HB2 ARG 16 2HB ARG 16 8.046 8.338 -0.391 123 HB3 ARG 16 1HB ARG 16 7.368 6.812 0.151 124 HG2 ARG 16 2HG ARG 16 9.677 6.949 0.799 125 HG3 ARG 16 1HG ARG 16 9.479 5.700 -0.427 126 HD2 ARG 16 2HD ARG 16 11.479 7.063 -0.843 127 HD3 ARG 16 1HD ARG 16 10.305 7.224 -2.148 128 HE ARG 16 HE ARG 16 9.933 9.234 -0.228 129 HH11 ARG 16 1HH1 ARG 16 12.154 8.357 -2.856 130 HH12 ARG 16 2HH1 ARG 16 12.682 9.946 -3.124 131 HH21 ARG 16 1HH2 ARG 16 10.617 11.389 -0.619 132 HH22 ARG 16 2HH2 ARG 16 11.780 11.755 -1.806 133 H ARG 17 HN ARG 17 7.140 5.841 -4.107 134 HA ARG 17 HA ARG 17 5.556 3.706 -3.309 135 HB2 ARG 17 2HB ARG 17 5.799 2.847 -5.612 136 HB3 ARG 17 1HB ARG 17 5.356 4.542 -5.529 137 HG2 ARG 17 2HG ARG 17 7.650 5.180 -6.040 138 HG3 ARG 17 1HG ARG 17 8.121 3.480 -6.082 139 HD2 ARG 17 2HD ARG 17 6.535 3.112 -7.925 140 HD3 ARG 17 1HD ARG 17 6.123 4.823 -7.900 141 HE ARG 17 HE ARG 17 8.577 5.162 -8.349 142 HH11 ARG 17 1HH1 ARG 17 6.794 2.341 -9.555 143 HH12 ARG 17 2HH1 ARG 17 7.766 2.127 -10.934 144 HH21 ARG 17 1HH2 ARG 17 9.959 4.828 -10.266 145 HH22 ARG 17 2HH2 ARG 17 9.588 3.524 -11.314 146 H SER 18 HN SER 18 9.017 3.852 -3.607 147 HA SER 18 HA SER 18 9.430 1.067 -3.713 148 HB2 SER 18 2HB SER 18 11.162 2.757 -4.341 149 HB3 SER 18 1HB SER 18 11.294 3.222 -2.650 150 HG SER 18 HG SER 18 12.777 1.759 -2.648 151 H ASN 19 HN ASN 19 9.292 3.413 -1.060 152 HA ASN 19 HA ASN 19 9.718 1.527 1.005 153 HB2 ASN 19 2HB ASN 19 10.041 3.971 1.346 154 HB3 ASN 19 1HB ASN 19 8.314 4.211 1.151 155 HD21 ASN 19 1HD2 ASN 19 10.788 2.878 3.220 156 HD22 ASN 19 2HD2 ASN 19 9.822 2.790 4.646 157 H CYS 20 HN CYS 20 6.838 2.837 -0.503 158 HA CYS 20 HA CYS 20 4.838 1.652 1.042 159 HB2 CYS 20 2HB CYS 20 4.362 3.320 -0.693 160 HB3 CYS 20 1HB CYS 20 4.912 2.214 -1.937 161 H ALA 21 HN ALA 21 6.385 0.360 -1.894 162 HA ALA 21 HA ALA 21 5.072 -2.122 -1.829 163 HB1 ALA 21 1HB ALA 21 6.085 -1.176 -3.855 164 HB2 ALA 21 2HB ALA 21 6.688 -2.797 -3.515 165 HB3 ALA 21 3HB ALA 21 7.685 -1.391 -3.147 166 H ASN 22 HN ASN 22 8.170 -1.046 -0.484 167 HA ASN 22 HA ASN 22 8.948 -3.682 0.252 168 HB2 ASN 22 2HB ASN 22 10.029 -1.011 1.148 169 HB3 ASN 22 1HB ASN 22 10.699 -2.547 1.681 170 HD21 ASN 22 1HD2 ASN 22 10.325 -3.857 -0.929 171 HD22 ASN 22 2HD2 ASN 22 11.500 -3.179 -1.980 172 H VAL 23 HN VAL 23 7.259 -1.136 2.025 173 HA VAL 23 HA VAL 23 7.245 -2.495 4.501 174 HB VAL 23 HB VAL 23 5.230 -0.483 3.383 175 HG11 VAL 23 1HG1 VAL 23 4.157 -1.851 5.121 176 HG12 VAL 23 2HG1 VAL 23 4.423 -0.206 5.695 177 HG13 VAL 23 3HG1 VAL 23 5.491 -1.506 6.220 178 HG21 VAL 23 1HG2 VAL 23 7.463 -0.151 5.391 179 HG22 VAL 23 2HG2 VAL 23 6.328 1.102 4.903 180 HG23 VAL 23 3HG2 VAL 23 7.464 0.436 3.728 181 H CYS 24 HN CYS 24 4.935 -2.397 1.836 182 HA CYS 24 HA CYS 24 3.206 -4.291 2.917 183 HB2 CYS 24 2HB CYS 24 3.704 -3.400 0.094 184 HB3 CYS 24 1HB CYS 24 2.402 -4.507 0.504 185 H ARG 25 HN ARG 25 6.052 -4.701 0.874 186 HA ARG 25 HA ARG 25 5.843 -7.423 0.339 187 HB2 ARG 25 2HB ARG 25 7.519 -5.898 -0.685 188 HB3 ARG 25 1HB ARG 25 8.369 -5.866 0.846 189 HG2 ARG 25 2HG ARG 25 8.881 -8.208 0.696 190 HG3 ARG 25 1HG ARG 25 7.899 -8.368 -0.763 191 HD2 ARG 25 2HD ARG 25 10.396 -6.712 -0.453 192 HD3 ARG 25 1HD ARG 25 10.243 -8.229 -1.345 193 HE ARG 25 HE ARG 25 8.348 -6.515 -2.376 194 HH11 ARG 25 1HH1 ARG 25 11.906 -6.692 -2.262 195 HH12 ARG 25 2HH1 ARG 25 12.121 -5.696 -3.609 196 HH21 ARG 25 1HH2 ARG 25 8.696 -5.141 -4.264 197 HH22 ARG 25 2HH2 ARG 25 10.298 -4.814 -4.753 198 H THR 26 HN THR 26 7.528 -5.790 2.997 199 HA THR 26 HA THR 26 8.346 -8.163 4.236 200 HB THR 26 HB THR 26 8.680 -6.644 6.279 201 HG1 THR 26 1HG THR 26 8.191 -4.559 4.414 202 HG21 THR 26 1HG2 THR 26 10.476 -7.147 4.686 203 HG22 THR 26 2HG2 THR 26 10.566 -5.477 5.259 204 HG23 THR 26 3HG2 THR 26 9.920 -5.823 3.658 205 H GLU 27 HN GLU 27 5.392 -6.307 4.481 206 HA GLU 27 HA GLU 27 4.415 -7.862 6.670 207 HB2 GLU 27 2HB GLU 27 2.999 -5.925 4.842 208 HB3 GLU 27 1HB GLU 27 2.237 -6.708 6.222 209 HG2 GLU 27 2HG GLU 27 4.515 -4.765 6.226 210 HG3 GLU 27 1HG GLU 27 2.889 -4.534 6.872 211 H GLY 28 HN GLY 28 4.965 -8.876 3.640 212 HA2 GLY 28 2HA GLY 28 4.468 -11.081 2.990 213 HA3 GLY 28 1HA GLY 28 3.039 -11.039 4.007 214 H PHE 29 HN PHE 29 3.436 -8.326 1.983 215 HA PHE 29 HA PHE 29 1.263 -9.336 0.334 216 HB2 PHE 29 2HB PHE 29 2.209 -6.546 0.912 217 HB3 PHE 29 1HB PHE 29 0.943 -6.920 -0.256 218 HD1 PHE 29 1HD PHE 29 1.804 -6.651 3.258 219 HD2 PHE 29 2HD PHE 29 -1.127 -7.822 0.464 220 HE1 PHE 29 1HE PHE 29 0.127 -6.651 5.057 221 HE2 PHE 29 2HE PHE 29 -2.835 -7.842 2.230 222 HZ PHE 29 HZ PHE 29 -2.213 -7.243 4.549 223 HA PRO 30 HA PRO 30 3.980 -9.566 -3.202 224 HB2 PRO 30 2HB PRO 30 2.096 -9.427 -5.162 225 HB3 PRO 30 1HB PRO 30 2.424 -10.889 -4.232 226 HG2 PRO 30 2HG PRO 30 0.252 -8.864 -3.870 227 HG3 PRO 30 1HG PRO 30 0.165 -10.632 -3.769 228 HD2 PRO 30 2HD PRO 30 0.259 -9.082 -1.570 229 HD3 PRO 30 1HD PRO 30 1.028 -10.680 -1.628 230 H GLY 31 HN GLY 31 1.923 -6.804 -2.613 231 HA2 GLY 31 2HA GLY 31 3.828 -5.090 -3.819 232 HA3 GLY 31 1HA GLY 31 2.412 -5.260 -4.844 233 H GLY 32 HN GLY 32 2.801 -2.817 -4.129 234 HA2 GLY 32 2HA GLY 32 0.643 -2.268 -2.272 235 HA3 GLY 32 1HA GLY 32 2.219 -1.558 -1.912 236 H ARG 33 HN ARG 33 -0.482 -0.470 -2.908 237 HA ARG 33 HA ARG 33 0.670 1.250 -4.962 238 HB2 ARG 33 2HB ARG 33 -1.778 -0.443 -5.382 239 HB3 ARG 33 1HB ARG 33 -1.540 1.049 -6.275 240 HG2 ARG 33 2HG ARG 33 0.397 -1.254 -6.264 241 HG3 ARG 33 1HG ARG 33 -0.834 -0.989 -7.506 242 HD2 ARG 33 2HD ARG 33 0.154 1.119 -8.091 243 HD3 ARG 33 1HD ARG 33 1.331 0.995 -6.785 244 HE ARG 33 HE ARG 33 1.648 -1.229 -8.337 245 HH11 ARG 33 1HH1 ARG 33 1.864 2.282 -8.819 246 HH12 ARG 33 2HH1 ARG 33 3.095 2.199 -9.986 247 HH21 ARG 33 1HH2 ARG 33 3.359 -1.349 -9.945 248 HH22 ARG 33 2HH2 ARG 33 3.937 0.082 -10.653 249 H CYS 34 HN CYS 34 -0.741 3.050 -5.540 250 HA CYS 34 HA CYS 34 -1.851 4.284 -3.167 251 HB2 CYS 34 2HB CYS 34 -1.443 5.334 -5.971 252 HB3 CYS 34 1HB CYS 34 -1.919 6.283 -4.571 253 H ARG 35 HN ARG 35 -3.998 4.760 -2.923 254 HA ARG 35 HA ARG 35 -5.745 4.118 -5.206 255 HB2 ARG 35 2HB ARG 35 -6.487 3.666 -2.311 256 HB3 ARG 35 1HB ARG 35 -7.490 3.319 -3.708 257 HG2 ARG 35 2HG ARG 35 -5.841 1.640 -4.431 258 HG3 ARG 35 1HG ARG 35 -4.916 1.961 -2.965 259 HD2 ARG 35 2HD ARG 35 -6.185 0.088 -2.421 260 HD3 ARG 35 1HD ARG 35 -7.064 1.428 -1.706 261 HE ARG 35 HE ARG 35 -7.964 0.790 -4.331 262 HH11 ARG 35 1HH1 ARG 35 -8.385 -0.006 -0.892 263 HH12 ARG 35 2HH1 ARG 35 -9.804 -0.917 -1.131 264 HH21 ARG 35 1HH2 ARG 35 -9.968 -0.442 -4.627 265 HH22 ARG 35 2HH2 ARG 35 -10.727 -1.138 -3.286 266 H GLY 36 HN GLY 36 -5.806 5.831 -2.070 267 HA2 GLY 36 2HA GLY 36 -7.893 7.520 -3.060 268 HA3 GLY 36 1HA GLY 36 -7.185 7.574 -1.458 269 H PHE 37 HN PHE 37 -7.777 9.839 -2.609 270 HA PHE 37 HA PHE 37 -5.764 10.969 -4.268 271 HB2 PHE 37 2HB PHE 37 -8.103 11.740 -4.336 272 HB3 PHE 37 1HB PHE 37 -7.959 12.334 -2.689 273 HD1 PHE 37 1HD PHE 37 -6.637 12.780 -6.126 274 HD2 PHE 37 2HD PHE 37 -7.165 14.510 -2.272 275 HE1 PHE 37 1HE PHE 37 -5.867 14.945 -6.994 276 HE2 PHE 37 2HE PHE 37 -6.395 16.674 -3.132 277 HZ PHE 37 HZ PHE 37 -5.743 16.900 -5.489 278 H ARG 38 HN ARG 38 -6.021 10.569 -0.861 279 HA ARG 38 HA ARG 38 -4.150 12.714 -0.347 280 HB2 ARG 38 2HB ARG 38 -5.205 10.617 1.558 281 HB3 ARG 38 1HB ARG 38 -4.149 11.941 2.016 282 HG2 ARG 38 2HG ARG 38 -5.943 13.501 1.157 283 HG3 ARG 38 1HG ARG 38 -7.000 12.092 1.070 284 HD2 ARG 38 2HD ARG 38 -7.357 13.206 3.177 285 HD3 ARG 38 1HD ARG 38 -6.538 11.670 3.477 286 HE ARG 38 HE ARG 38 -4.659 13.752 3.145 287 HH11 ARG 38 1HH1 ARG 38 -6.876 12.441 5.587 288 HH12 ARG 38 2HH1 ARG 38 -6.036 13.130 6.901 289 HH21 ARG 38 1HH2 ARG 38 -3.520 14.623 4.905 290 HH22 ARG 38 2HH2 ARG 38 -4.063 14.399 6.511 291 H ARG 39 HN ARG 39 -3.779 9.915 -1.744 292 HA ARG 39 HA ARG 39 -2.018 8.678 -2.372 293 HB2 ARG 39 2HB ARG 39 -0.477 10.920 -1.074 294 HB3 ARG 39 1HB ARG 39 0.339 9.517 -1.721 295 HG2 ARG 39 2HG ARG 39 0.493 11.254 -3.326 296 HG3 ARG 39 1HG ARG 39 -0.645 10.074 -3.951 297 HD2 ARG 39 2HD ARG 39 -2.498 11.516 -3.377 298 HD3 ARG 39 1HD ARG 39 -1.406 12.650 -2.576 299 HE ARG 39 HE ARG 39 -0.423 12.447 -5.111 300 HH11 ARG 39 1HH1 ARG 39 -3.597 13.369 -3.853 301 HH12 ARG 39 2HH1 ARG 39 -3.921 14.460 -5.117 302 HH21 ARG 39 1HH2 ARG 39 -0.864 13.873 -6.801 303 HH22 ARG 39 2HH2 ARG 39 -2.346 14.737 -6.877 304 H ARG 40 HN ARG 40 -3.303 7.599 -0.249 305 HA ARG 40 HA ARG 40 -1.185 6.827 1.587 306 HB2 ARG 40 2HB ARG 40 -4.091 5.998 1.533 307 HB3 ARG 40 1HB ARG 40 -2.927 5.453 2.729 308 HG2 ARG 40 2HG ARG 40 -3.802 8.300 2.277 309 HG3 ARG 40 1HG ARG 40 -4.288 7.252 3.610 310 HD2 ARG 40 2HD ARG 40 -1.980 7.168 4.399 311 HD3 ARG 40 1HD ARG 40 -1.458 8.155 3.032 312 HE ARG 40 HE ARG 40 -3.525 9.366 4.527 313 HH11 ARG 40 1HH1 ARG 40 0.023 8.865 4.568 314 HH12 ARG 40 2HH1 ARG 40 0.309 10.303 5.415 315 HH21 ARG 40 1HH2 ARG 40 -3.075 11.279 5.678 316 HH22 ARG 40 2HH2 ARG 40 -1.476 11.715 6.093 317 H CYS 41 HN CYS 41 -0.554 4.714 1.963 318 HA CYS 41 HA CYS 41 -0.238 3.241 -0.518 319 HB2 CYS 41 2HB CYS 41 1.774 3.764 0.780 320 HB3 CYS 41 1HB CYS 41 1.087 2.993 2.196 321 H PHE 42 HN PHE 42 -1.164 1.350 -0.893 322 HA PHE 42 HA PHE 42 -2.518 0.006 1.307 323 HB2 PHE 42 2HB PHE 42 -3.451 0.422 -1.526 324 HB3 PHE 42 1HB PHE 42 -4.090 -0.822 -0.460 325 HD1 PHE 42 1HD PHE 42 -5.860 -0.355 0.931 326 HD2 PHE 42 2HD PHE 42 -3.613 2.860 -0.701 327 HE1 PHE 42 1HE PHE 42 -7.510 1.231 1.810 328 HE2 PHE 42 2HE PHE 42 -5.263 4.461 0.178 329 HZ PHE 42 HZ PHE 42 -7.217 3.640 1.437 330 H CYS 43 HN CYS 43 -1.898 -1.933 1.578 331 HA CYS 43 HA CYS 43 0.010 -3.167 -0.144 332 HB2 CYS 43 2HB CYS 43 -1.387 -4.102 2.354 333 HB3 CYS 43 1HB CYS 43 -0.085 -4.966 1.547 334 H THR 44 HN THR 44 -0.483 -4.384 -1.770 335 HA THR 44 HA THR 44 -3.199 -5.124 -2.347 336 HB THR 44 HB THR 44 -0.639 -5.649 -3.851 337 HG1 THR 44 1HG THR 44 -2.135 -3.370 -3.454 338 HG21 THR 44 1HG2 THR 44 -3.529 -5.578 -4.755 339 HG22 THR 44 2HG2 THR 44 -2.533 -7.026 -4.602 340 HG23 THR 44 3HG2 THR 44 -2.138 -5.806 -5.814 341 H THR 45 HN THR 45 -3.994 -7.108 -1.939 342 HA THR 45 HA THR 45 -2.171 -9.369 -1.885 343 HB THR 45 HB THR 45 -2.746 -8.843 0.491 344 HG1 THR 45 1HG THR 45 -2.575 -10.907 0.557 345 HG21 THR 45 1HG2 THR 45 -4.919 -7.762 0.130 346 HG22 THR 45 2HG2 THR 45 -5.046 -9.089 1.290 347 HG23 THR 45 3HG2 THR 45 -5.595 -9.313 -0.371 348 H HIS 46 HN HIS 46 -3.437 -11.358 -2.262 349 HA HIS 46 HA HIS 46 -5.593 -10.783 -4.161 350 HB2 HIS 46 2HB HIS 46 -3.760 -13.175 -3.901 351 HB3 HIS 46 1HB HIS 46 -5.165 -13.149 -4.953 352 HD1 HIS 46 1HD HIS 46 -4.761 -12.290 -7.275 353 HD2 HIS 46 2HD HIS 46 -1.761 -11.191 -4.630 354 HE1 HIS 46 1HE HIS 46 -2.967 -11.196 -8.677 355 H CYS 47 HN CYS 47 -7.590 -11.534 -3.764 356 HA CYS 47 HA CYS 47 -7.855 -13.076 -1.350 357 HB2 CYS 47 2HB CYS 47 -9.857 -11.382 -2.836 358 HB3 CYS 47 1HB CYS 47 -10.336 -12.475 -1.540
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