NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22886 | 2jrp | 15338 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 14.957 3.289 7.101 2 2H MET 1 HT2 MET 1 16.259 3.588 6.054 3 3H MET 1 HT3 MET 1 16.006 2.027 6.664 4 HA MET 1 HA MET 1 15.297 2.154 4.391 5 1HB MET 1 HB2 MET 1 14.104 0.660 5.919 6 2HB MET 1 HB1 MET 1 13.015 1.964 6.369 7 1HG MET 1 HG2 MET 1 12.044 2.000 4.189 8 2HG MET 1 HG1 MET 1 13.264 0.885 3.572 9 1HE MET 1 HE1 MET 1 13.374 -1.683 4.154 10 2HE MET 1 HE2 MET 1 12.374 -2.442 5.394 11 3HE MET 1 HE3 MET 1 13.563 -1.221 5.846 12 H GLU 2 HN GLU 2 13.025 4.110 6.342 13 HA GLU 2 HA GLU 2 11.839 5.986 5.901 14 1HB GLU 2 HB2 GLU 2 14.252 6.488 4.176 15 2HB GLU 2 HB1 GLU 2 12.919 7.629 4.236 16 1HG GLU 2 HG2 GLU 2 14.563 8.399 5.744 17 2HG GLU 2 HG1 GLU 2 13.246 7.746 6.715 18 H ILE 3 HN ILE 3 11.136 7.445 3.819 19 HA ILE 3 HA ILE 3 10.309 5.621 1.669 20 HB ILE 3 HB ILE 3 8.511 7.708 2.936 21 1HG1 ILE 3 HG12 ILE 3 8.322 4.685 3.019 22 2HG1 ILE 3 HG11 ILE 3 8.804 5.709 4.367 23 1HG2 ILE 3 HG21 ILE 3 7.992 5.722 0.721 24 2HG2 ILE 3 HG22 ILE 3 8.129 7.472 0.548 25 3HG2 ILE 3 HG23 ILE 3 6.781 6.779 1.450 26 1HD1 ILE 3 HD11 ILE 3 6.118 5.729 3.015 27 2HD1 ILE 3 HD12 ILE 3 6.599 6.736 4.381 28 3HD1 ILE 3 HD13 ILE 3 6.496 4.984 4.569 29 H THR 4 HN THR 4 11.205 6.383 -0.140 30 HA THR 4 HA THR 4 11.150 9.271 -0.633 31 HB THR 4 HB THR 4 13.460 9.099 -1.637 32 HG1 THR 4 HG1 THR 4 13.199 6.593 -1.333 33 1HG2 THR 4 HG21 THR 4 13.122 10.183 0.513 34 2HG2 THR 4 HG22 THR 4 14.634 9.273 0.522 35 3HG2 THR 4 HG23 THR 4 13.209 8.624 1.334 36 H CYS 5 HN CYS 5 11.248 9.852 -2.839 37 HA CYS 5 HA CYS 5 9.936 8.119 -4.634 38 1HB CYS 5 HB2 CYS 5 9.706 10.525 -4.854 39 2HB CYS 5 HB1 CYS 5 11.441 10.713 -5.073 40 HA PRO 6 HA PRO 6 13.425 5.771 -6.137 41 1HB PRO 6 HB2 PRO 6 11.797 5.370 -8.563 42 2HB PRO 6 HB1 PRO 6 12.423 4.177 -7.421 43 1HG PRO 6 HG2 PRO 6 9.815 4.776 -7.517 44 2HG PRO 6 HG1 PRO 6 10.630 4.415 -5.983 45 1HD PRO 6 HD2 PRO 6 9.868 7.076 -7.141 46 2HD PRO 6 HD1 PRO 6 9.722 6.492 -5.469 47 H VAL 7 HN VAL 7 12.267 8.638 -7.387 48 HA VAL 7 HA VAL 7 14.343 8.745 -9.469 49 HB VAL 7 HB VAL 7 11.953 10.575 -9.156 50 1HG1 VAL 7 HG11 VAL 7 12.547 11.307 -11.439 51 2HG1 VAL 7 HG12 VAL 7 13.998 10.307 -11.355 52 3HG1 VAL 7 HG13 VAL 7 13.801 11.670 -10.253 53 1HG2 VAL 7 HG21 VAL 7 11.034 9.435 -11.127 54 2HG2 VAL 7 HG22 VAL 7 11.208 8.344 -9.753 55 3HG2 VAL 7 HG23 VAL 7 12.372 8.289 -11.077 56 H CYS 8 HN CYS 8 12.656 10.913 -7.199 57 HA CYS 8 HA CYS 8 15.215 12.273 -6.747 58 1HB CYS 8 HB2 CYS 8 13.825 14.162 -5.905 59 2HB CYS 8 HB1 CYS 8 13.530 13.767 -7.595 60 H HIS 9 HN HIS 9 16.096 11.002 -5.182 61 HA HIS 9 HA HIS 9 14.714 10.183 -2.836 62 1HB HIS 9 HB2 HIS 9 16.770 9.063 -3.683 63 2HB HIS 9 HB1 HIS 9 17.701 10.490 -3.253 64 HD1 HIS 9 HD1 HIS 9 16.450 7.324 -1.892 65 HD2 HIS 9 HD2 HIS 9 17.858 10.929 -0.376 66 HE1 HIS 9 HE1 HIS 9 17.008 6.875 0.514 67 HE2 HIS 9 HE2 HIS 9 17.983 9.034 1.378 68 H HIS 10 HN HIS 10 13.683 12.161 -2.197 69 HA HIS 10 HA HIS 10 15.488 13.853 -0.591 70 1HB HIS 10 HB2 HIS 10 12.769 14.529 -1.735 71 2HB HIS 10 HB1 HIS 10 13.627 15.541 -0.586 72 HD1 HIS 10 HD1 HIS 10 16.442 14.925 -2.281 73 HD2 HIS 10 HD2 HIS 10 12.887 16.658 -3.568 74 HE1 HIS 10 HE1 HIS 10 17.039 16.293 -4.306 75 HE2 HIS 10 HE2 HIS 10 14.921 17.510 -4.912 76 H ALA 11 HN ALA 11 12.002 13.532 -0.401 77 HA ALA 11 HA ALA 11 11.893 11.669 1.721 78 1HB ALA 11 HB1 ALA 11 11.518 14.562 2.506 79 2HB ALA 11 HB2 ALA 11 12.851 13.523 3.009 80 3HB ALA 11 HB3 ALA 11 11.206 13.162 3.533 81 H LEU 12 HN LEU 12 9.943 10.764 1.507 82 HA LEU 12 HA LEU 12 7.781 12.339 0.292 83 1HB LEU 12 HB2 LEU 12 8.476 9.451 0.348 84 2HB LEU 12 HB1 LEU 12 6.772 9.856 0.336 85 HG LEU 12 HG LEU 12 6.975 10.971 -1.781 86 1HD1 LEU 12 HD11 LEU 12 9.936 10.445 -1.599 87 2HD1 LEU 12 HD12 LEU 12 9.150 12.019 -1.468 88 3HD1 LEU 12 HD13 LEU 12 9.086 11.126 -2.988 89 1HD2 LEU 12 HD21 LEU 12 7.700 9.115 -3.195 90 2HD2 LEU 12 HD22 LEU 12 6.718 8.558 -1.841 91 3HD2 LEU 12 HD23 LEU 12 8.470 8.356 -1.801 92 H GLU 13 HN GLU 13 5.997 12.852 1.427 93 HA GLU 13 HA GLU 13 6.011 12.101 4.251 94 1HB GLU 13 HB2 GLU 13 5.914 14.507 3.619 95 2HB GLU 13 HB1 GLU 13 4.357 14.212 2.859 96 1HG GLU 13 HG2 GLU 13 3.372 13.638 4.967 97 2HG GLU 13 HG1 GLU 13 4.939 13.726 5.768 98 H ARG 14 HN ARG 14 4.456 10.935 5.194 99 HA ARG 14 HA ARG 14 2.495 9.668 3.422 100 1HB ARG 14 HB2 ARG 14 4.154 8.328 4.816 101 2HB ARG 14 HB1 ARG 14 3.258 8.857 6.232 102 1HG ARG 14 HG2 ARG 14 2.455 6.715 5.726 103 2HG ARG 14 HG1 ARG 14 1.215 7.831 5.160 104 1HD ARG 14 HD2 ARG 14 2.172 7.666 2.883 105 2HD ARG 14 HD1 ARG 14 3.305 6.458 3.483 106 HE ARG 14 HE ARG 14 0.542 6.072 2.829 107 1HH1 ARG 14 HH11 ARG 14 3.138 4.904 4.885 108 2HH1 ARG 14 HH12 ARG 14 2.520 3.284 4.948 109 1HH2 ARG 14 HH21 ARG 14 -0.271 3.937 2.916 110 2HH2 ARG 14 HH22 ARG 14 0.578 2.737 3.832 111 H ASN 15 HN ASN 15 0.358 10.149 3.605 112 HA ASN 15 HA ASN 15 -0.508 11.649 6.000 113 1HB ASN 15 HB2 ASN 15 -0.804 12.802 3.810 114 2HB ASN 15 HB1 ASN 15 -1.816 11.470 3.267 115 1HD2 ASN 15 HD21 ASN 15 -3.629 12.682 2.946 116 2HD2 ASN 15 HD22 ASN 15 -4.536 13.393 4.239 117 H GLY 16 HN GLY 16 -0.375 8.638 4.934 118 1HA GLY 16 HA2 GLY 16 -1.578 6.777 5.794 119 2HA GLY 16 HA1 GLY 16 -2.959 7.843 6.061 120 H ASP 17 HN ASP 17 -2.437 5.274 4.421 121 HA ASP 17 HA ASP 17 -3.128 4.348 2.468 122 1HB ASP 17 HB2 ASP 17 -5.247 5.355 2.612 123 2HB ASP 17 HB1 ASP 17 -4.606 6.966 2.318 124 H THR 18 HN THR 18 -2.310 7.774 1.778 125 HA THR 18 HA THR 18 -0.622 6.781 -0.429 126 HB THR 18 HB THR 18 -2.359 9.257 -0.337 127 HG1 THR 18 HG1 THR 18 -3.447 7.304 -0.876 128 1HG2 THR 18 HG21 THR 18 -0.419 8.383 -2.484 129 2HG2 THR 18 HG22 THR 18 -0.272 9.813 -1.460 130 3HG2 THR 18 HG23 THR 18 -1.584 9.700 -2.631 131 H ALA 19 HN ALA 19 1.357 7.709 -0.722 132 HA ALA 19 HA ALA 19 2.219 9.733 1.243 133 1HB ALA 19 HB1 ALA 19 3.459 7.618 1.381 134 2HB ALA 19 HB2 ALA 19 4.500 8.941 0.851 135 3HB ALA 19 HB3 ALA 19 3.898 7.767 -0.320 136 H HIS 20 HN HIS 20 2.989 11.665 0.473 137 HA HIS 20 HA HIS 20 2.510 12.094 -2.378 138 1HB HIS 20 HB2 HIS 20 1.404 13.565 -0.692 139 2HB HIS 20 HB1 HIS 20 2.993 14.159 -0.222 140 HD1 HIS 20 HD1 HIS 20 0.620 14.148 -3.172 141 HD2 HIS 20 HD2 HIS 20 4.013 16.155 -1.812 142 HE1 HIS 20 HE1 HIS 20 0.926 16.106 -4.725 143 HE2 HIS 20 HE2 HIS 20 2.878 17.398 -3.786 144 H CYS 21 HN CYS 21 4.038 12.440 -3.798 145 HA CYS 21 HA CYS 21 6.807 12.644 -2.944 146 1HB CYS 21 HB2 CYS 21 6.141 11.100 -4.771 147 2HB CYS 21 HB1 CYS 21 5.599 12.478 -5.718 148 H GLU 22 HN GLU 22 7.676 14.532 -2.606 149 HA GLU 22 HA GLU 22 6.560 17.027 -2.927 150 1HB GLU 22 HB2 GLU 22 9.191 17.642 -2.925 151 2HB GLU 22 HB1 GLU 22 8.300 17.171 -1.489 152 1HG GLU 22 HG2 GLU 22 10.436 15.999 -1.641 153 2HG GLU 22 HG1 GLU 22 9.076 14.886 -1.708 154 H THR 23 HN THR 23 9.620 17.013 -4.558 155 HA THR 23 HA THR 23 8.705 18.089 -6.994 156 HB THR 23 HB THR 23 10.883 17.522 -7.895 157 HG1 THR 23 HG1 THR 23 12.239 16.047 -6.863 158 1HG2 THR 23 HG21 THR 23 10.919 19.353 -6.288 159 2HG2 THR 23 HG22 THR 23 12.397 18.399 -6.145 160 3HG2 THR 23 HG23 THR 23 11.106 18.208 -4.958 161 H CYS 24 HN CYS 24 8.215 17.080 -8.938 162 HA CYS 24 HA CYS 24 7.785 15.317 -10.406 163 1HB CYS 24 HB2 CYS 24 7.607 13.521 -7.968 164 2HB CYS 24 HB1 CYS 24 7.286 13.011 -9.619 165 H ALA 25 HN ALA 25 6.114 16.046 -7.442 166 HA ALA 25 HA ALA 25 3.931 16.455 -6.955 167 1HB ALA 25 HB1 ALA 25 3.669 16.757 -9.947 168 2HB ALA 25 HB2 ALA 25 4.114 18.030 -8.810 169 3HB ALA 25 HB3 ALA 25 2.504 17.313 -8.747 170 H LYS 26 HN LYS 26 4.781 13.746 -7.320 171 HA LYS 26 HA LYS 26 2.446 12.419 -8.495 172 1HB LYS 26 HB2 LYS 26 4.499 11.595 -9.386 173 2HB LYS 26 HB1 LYS 26 5.223 11.472 -7.792 174 1HG LYS 26 HG2 LYS 26 4.742 9.274 -8.522 175 2HG LYS 26 HG1 LYS 26 3.568 9.675 -7.271 176 1HD LYS 26 HD2 LYS 26 1.877 10.114 -8.951 177 2HD LYS 26 HD1 LYS 26 3.050 9.831 -10.240 178 1HE LYS 26 HE2 LYS 26 3.334 7.515 -9.424 179 2HE LYS 26 HE1 LYS 26 2.097 7.818 -8.206 180 1HZ LYS 26 HZ1 LYS 26 1.262 6.657 -10.196 181 2HZ LYS 26 HZ2 LYS 26 1.642 8.018 -11.135 182 3HZ LYS 26 HZ3 LYS 26 0.471 8.131 -9.909 183 H ASP 27 HN ASP 27 1.123 11.108 -7.275 184 HA ASP 27 HA ASP 27 1.719 10.970 -4.398 185 1HB ASP 27 HB2 ASP 27 -0.923 10.874 -5.862 186 2HB ASP 27 HB1 ASP 27 -0.751 10.471 -4.157 187 H PHE 28 HN PHE 28 2.212 9.062 -3.582 188 HA PHE 28 HA PHE 28 1.802 6.685 -5.265 189 1HB PHE 28 HB2 PHE 28 3.641 7.124 -2.901 190 2HB PHE 28 HB1 PHE 28 3.507 5.626 -3.811 191 HD1 PHE 28 HD1 PHE 28 4.216 5.594 -6.214 192 HD2 PHE 28 HD2 PHE 28 5.013 8.880 -3.630 193 HE1 PHE 28 HE1 PHE 28 5.983 6.367 -7.744 194 HE2 PHE 28 HE2 PHE 28 6.777 9.657 -5.155 195 HZ PHE 28 HZ PHE 28 7.266 8.398 -7.208 196 H SER 29 HN SER 29 -0.137 5.800 -4.775 197 HA SER 29 HA SER 29 -1.062 5.699 -2.040 198 1HB SER 29 HB2 SER 29 -2.209 4.464 -4.556 199 2HB SER 29 HB1 SER 29 -3.018 4.544 -2.989 200 HG SER 29 HG SER 29 -2.752 6.889 -3.171 201 H LEU 30 HN LEU 30 -0.692 4.104 -0.648 202 HA LEU 30 HA LEU 30 0.649 1.697 -1.668 203 1HB LEU 30 HB2 LEU 30 0.612 2.809 1.143 204 2HB LEU 30 HB1 LEU 30 1.472 1.373 0.625 205 HG LEU 30 HG LEU 30 2.660 3.051 -1.020 206 1HD1 LEU 30 HD11 LEU 30 1.260 4.973 -0.443 207 2HD1 LEU 30 HD12 LEU 30 2.959 5.260 -0.069 208 3HD1 LEU 30 HD13 LEU 30 1.825 4.875 1.226 209 1HD2 LEU 30 HD21 LEU 30 4.408 3.376 0.653 210 2HD2 LEU 30 HD22 LEU 30 3.764 1.735 0.710 211 3HD2 LEU 30 HD23 LEU 30 3.279 2.917 1.928 212 H GLN 31 HN GLN 31 -0.177 -0.299 -1.278 213 HA GLN 31 HA GLN 31 -2.791 -0.344 0.079 214 1HB GLN 31 HB2 GLN 31 -1.748 -2.218 -2.054 215 2HB GLN 31 HB1 GLN 31 -3.336 -2.291 -1.306 216 1HG GLN 31 HG2 GLN 31 -3.798 -0.022 -2.218 217 2HG GLN 31 HG1 GLN 31 -2.265 -0.117 -3.083 218 1HE2 GLN 31 HE21 GLN 31 -3.179 -0.043 -5.109 219 2HE2 GLN 31 HE22 GLN 31 -4.120 -1.340 -5.761 220 H ALA 32 HN ALA 32 -3.213 -1.922 1.570 221 HA ALA 32 HA ALA 32 -0.865 -3.027 2.855 222 1HB ALA 32 HB1 ALA 32 -2.703 -3.752 4.544 223 2HB ALA 32 HB2 ALA 32 -3.729 -2.647 3.633 224 3HB ALA 32 HB3 ALA 32 -2.269 -2.052 4.414 225 H LEU 33 HN LEU 33 -0.130 -4.869 2.059 226 HA LEU 33 HA LEU 33 -2.040 -6.989 1.308 227 1HB LEU 33 HB2 LEU 33 0.631 -6.171 0.254 228 2HB LEU 33 HB1 LEU 33 0.216 -7.869 0.203 229 HG LEU 33 HG LEU 33 -1.686 -7.413 -1.233 230 1HD1 LEU 33 HD11 LEU 33 -0.887 -4.506 -1.063 231 2HD1 LEU 33 HD12 LEU 33 -2.325 -5.219 -0.331 232 3HD1 LEU 33 HD13 LEU 33 -2.156 -5.183 -2.086 233 1HD2 LEU 33 HD21 LEU 33 0.483 -7.750 -2.275 234 2HD2 LEU 33 HD22 LEU 33 0.808 -6.020 -2.180 235 3HD2 LEU 33 HD23 LEU 33 -0.494 -6.617 -3.209 236 H CYS 34 HN CYS 34 -1.477 -9.175 1.861 237 HA CYS 34 HA CYS 34 0.248 -9.417 4.210 238 1HB CYS 34 HB2 CYS 34 -1.795 -11.264 2.972 239 2HB CYS 34 HB1 CYS 34 -0.674 -11.808 4.214 240 HA PRO 35 HA PRO 35 3.487 -11.284 1.852 241 1HB PRO 35 HB2 PRO 35 4.171 -12.987 4.126 242 2HB PRO 35 HB1 PRO 35 5.072 -11.635 3.435 243 1HG PRO 35 HG2 PRO 35 3.876 -11.501 5.859 244 2HG PRO 35 HG1 PRO 35 4.055 -10.090 4.802 245 1HD PRO 35 HD2 PRO 35 1.656 -11.821 5.262 246 2HD PRO 35 HD1 PRO 35 1.757 -10.053 5.107 247 H ASP 36 HN ASP 36 1.021 -13.200 3.358 248 HA ASP 36 HA ASP 36 1.862 -15.537 1.803 249 1HB ASP 36 HB2 ASP 36 0.657 -16.926 3.307 250 2HB ASP 36 HB1 ASP 36 1.581 -15.797 4.286 251 H CYS 37 HN CYS 37 -1.044 -13.598 2.577 252 HA CYS 37 HA CYS 37 -2.156 -14.593 0.045 253 1HB CYS 37 HB2 CYS 37 -4.352 -13.739 0.837 254 2HB CYS 37 HB1 CYS 37 -3.683 -14.990 1.873 255 H ARG 38 HN ARG 38 -1.323 -13.326 -1.491 256 HA ARG 38 HA ARG 38 -0.938 -10.500 -1.026 257 1HB ARG 38 HB2 ARG 38 0.633 -12.055 -2.314 258 2HB ARG 38 HB1 ARG 38 -0.525 -11.938 -3.631 259 1HG ARG 38 HG2 ARG 38 -0.202 -9.554 -3.757 260 2HG ARG 38 HG1 ARG 38 0.868 -9.598 -2.352 261 1HD ARG 38 HD2 ARG 38 1.337 -10.780 -5.077 262 2HD ARG 38 HD1 ARG 38 2.253 -9.505 -4.272 263 HE ARG 38 HE ARG 38 2.194 -12.117 -2.969 264 1HH1 ARG 38 HH11 ARG 38 3.955 -9.901 -5.050 265 2HH1 ARG 38 HH12 ARG 38 5.500 -10.633 -4.713 266 1HH2 ARG 38 HH21 ARG 38 4.196 -13.091 -2.568 267 2HH2 ARG 38 HH22 ARG 38 5.633 -12.466 -3.322 268 H GLN 39 HN GLN 39 -3.103 -9.903 -0.744 269 HA GLN 39 HA GLN 39 -4.467 -9.297 -3.257 270 1HB GLN 39 HB2 GLN 39 -5.763 -10.629 -0.863 271 2HB GLN 39 HB1 GLN 39 -6.664 -9.889 -2.175 272 1HG GLN 39 HG2 GLN 39 -5.653 -11.501 -3.736 273 2HG GLN 39 HG1 GLN 39 -4.833 -12.268 -2.375 274 1HE2 GLN 39 HE21 GLN 39 -7.127 -11.816 -0.593 275 2HE2 GLN 39 HE22 GLN 39 -8.318 -12.979 -1.055 276 HA PRO 40 HA PRO 40 -5.528 -5.499 -0.970 277 1HB PRO 40 HB2 PRO 40 -8.390 -5.861 -1.595 278 2HB PRO 40 HB1 PRO 40 -7.311 -4.531 -2.019 279 1HG PRO 40 HG2 PRO 40 -8.167 -6.270 -3.865 280 2HG PRO 40 HG1 PRO 40 -6.529 -5.592 -3.920 281 1HD PRO 40 HD2 PRO 40 -7.433 -8.287 -2.976 282 2HD PRO 40 HD1 PRO 40 -6.008 -7.852 -3.943 283 H LEU 41 HN LEU 41 -6.389 -8.516 -0.128 284 HA LEU 41 HA LEU 41 -6.955 -9.558 1.782 285 1HB LEU 41 HB2 LEU 41 -6.676 -6.818 3.019 286 2HB LEU 41 HB1 LEU 41 -6.753 -8.332 3.900 287 HG LEU 41 HG LEU 41 -4.551 -7.382 2.076 288 1HD1 LEU 41 HD11 LEU 41 -4.535 -6.439 4.319 289 2HD1 LEU 41 HD12 LEU 41 -3.184 -7.549 4.087 290 3HD1 LEU 41 HD13 LEU 41 -4.597 -8.060 5.011 291 1HD2 LEU 41 HD21 LEU 41 -4.920 -9.754 1.688 292 2HD2 LEU 41 HD22 LEU 41 -4.855 -10.063 3.424 293 3HD2 LEU 41 HD23 LEU 41 -3.418 -9.493 2.574 294 H GLN 42 HN GLN 42 -8.457 -6.547 2.762 295 HA GLN 42 HA GLN 42 -11.060 -7.249 1.851 296 1HB GLN 42 HB2 GLN 42 -10.451 -8.535 4.151 297 2HB GLN 42 HB1 GLN 42 -11.014 -7.007 4.812 298 1HG GLN 42 HG2 GLN 42 -12.566 -8.825 2.981 299 2HG GLN 42 HG1 GLN 42 -12.804 -8.643 4.717 300 1HE2 GLN 42 HE21 GLN 42 -13.736 -6.763 5.511 301 2HE2 GLN 42 HE22 GLN 42 -14.640 -5.688 4.497 302 H VAL 43 HN VAL 43 -12.179 -5.393 1.608 303 HA VAL 43 HA VAL 43 -10.660 -2.992 2.121 304 HB VAL 43 HB VAL 43 -13.279 -3.334 0.651 305 1HG1 VAL 43 HG11 VAL 43 -12.779 -1.164 -0.339 306 2HG1 VAL 43 HG12 VAL 43 -11.325 -1.041 0.651 307 3HG1 VAL 43 HG13 VAL 43 -12.915 -1.051 1.415 308 1HG2 VAL 43 HG21 VAL 43 -10.452 -3.231 -0.399 309 2HG2 VAL 43 HG22 VAL 43 -11.910 -3.214 -1.391 310 3HG2 VAL 43 HG23 VAL 43 -11.527 -4.629 -0.411 311 H LEU 44 HN LEU 44 -10.835 -2.319 4.174 312 HA LEU 44 HA LEU 44 -13.483 -2.046 5.391 313 1HB LEU 44 HB2 LEU 44 -10.812 -1.270 6.570 314 2HB LEU 44 HB1 LEU 44 -12.330 -1.471 7.420 315 HG LEU 44 HG LEU 44 -10.623 -3.651 6.215 316 1HD1 LEU 44 HD11 LEU 44 -11.409 -2.991 9.048 317 2HD1 LEU 44 HD12 LEU 44 -9.809 -2.806 8.329 318 3HD1 LEU 44 HD13 LEU 44 -10.497 -4.415 8.546 319 1HD2 LEU 44 HD21 LEU 44 -13.302 -3.885 7.579 320 2HD2 LEU 44 HD22 LEU 44 -12.274 -5.223 7.066 321 3HD2 LEU 44 HD23 LEU 44 -12.992 -4.150 5.863 322 H LYS 45 HN LYS 45 -14.588 -0.201 5.108 323 HA LYS 45 HA LYS 45 -13.028 2.230 4.553 324 1HB LYS 45 HB2 LYS 45 -15.697 1.430 3.383 325 2HB LYS 45 HB1 LYS 45 -14.953 3.010 3.177 326 1HG LYS 45 HG2 LYS 45 -13.060 1.979 2.033 327 2HG LYS 45 HG1 LYS 45 -13.792 0.389 2.252 328 1HD LYS 45 HD2 LYS 45 -14.274 1.108 0.030 329 2HD LYS 45 HD1 LYS 45 -15.768 1.213 0.961 330 1HE LYS 45 HE2 LYS 45 -15.585 3.177 -0.392 331 2HE LYS 45 HE1 LYS 45 -15.316 3.640 1.287 332 1HZ LYS 45 HZ1 LYS 45 -12.997 3.807 0.908 333 2HZ LYS 45 HZ2 LYS 45 -13.744 4.633 -0.367 334 3HZ LYS 45 HZ3 LYS 45 -13.109 3.081 -0.619 335 H ALA 46 HN ALA 46 -13.504 4.019 5.648 336 HA ALA 46 HA ALA 46 -15.947 4.153 7.247 337 1HB ALA 46 HB1 ALA 46 -14.716 4.847 9.245 338 2HB ALA 46 HB2 ALA 46 -13.190 4.573 8.403 339 3HB ALA 46 HB3 ALA 46 -14.260 3.215 8.752 340 H CYS 47 HN CYS 47 -16.880 5.983 6.671 341 HA CYS 47 HA CYS 47 -17.244 8.100 5.932 342 1HB CYS 47 HB2 CYS 47 -14.614 8.661 7.324 343 2HB CYS 47 HB1 CYS 47 -15.795 9.872 6.835 344 HG CYS 47 HG CYS 47 -15.652 9.089 9.704 345 H GLY 48 HN GLY 48 -15.763 6.234 4.226 346 1HA GLY 48 HA2 GLY 48 -15.207 6.661 1.941 347 2HA GLY 48 HA1 GLY 48 -14.563 8.224 2.424 348 H ALA 49 HN ALA 49 -13.007 7.309 4.625 349 HA ALA 49 HA ALA 49 -10.588 6.710 3.337 350 1HB ALA 49 HB1 ALA 49 -10.686 7.816 5.510 351 2HB ALA 49 HB2 ALA 49 -9.676 6.372 5.583 352 3HB ALA 49 HB3 ALA 49 -11.311 6.338 6.243 353 H VAL 50 HN VAL 50 -9.303 4.798 3.364 354 HA VAL 50 HA VAL 50 -10.852 2.335 3.724 355 HB VAL 50 HB VAL 50 -10.978 2.900 1.364 356 1HG1 VAL 50 HG11 VAL 50 -9.017 4.311 1.173 357 2HG1 VAL 50 HG12 VAL 50 -8.958 3.022 -0.030 358 3HG1 VAL 50 HG13 VAL 50 -7.965 2.919 1.424 359 1HG2 VAL 50 HG21 VAL 50 -10.008 0.858 0.404 360 2HG2 VAL 50 HG22 VAL 50 -10.827 0.543 1.936 361 3HG2 VAL 50 HG23 VAL 50 -9.067 0.625 1.877 362 H ASP 51 HN ASP 51 -9.779 0.654 4.538 363 HA ASP 51 HA ASP 51 -6.848 0.624 4.449 364 1HB ASP 51 HB2 ASP 51 -7.585 1.400 6.714 365 2HB ASP 51 HB1 ASP 51 -8.470 -0.111 6.901 366 H TYR 52 HN TYR 52 -5.998 -1.429 4.134 367 HA TYR 52 HA TYR 52 -8.009 -3.430 3.395 368 1HB TYR 52 HB2 TYR 52 -5.083 -3.308 2.620 369 2HB TYR 52 HB1 TYR 52 -6.273 -4.450 2.013 370 HD1 TYR 52 HD1 TYR 52 -8.227 -3.553 0.670 371 HD2 TYR 52 HD2 TYR 52 -4.807 -1.201 1.599 372 HE1 TYR 52 HE1 TYR 52 -8.815 -1.995 -1.137 373 HE2 TYR 52 HE2 TYR 52 -5.387 0.363 -0.207 374 HH TYR 52 HH TYR 52 -6.683 0.357 -2.302 375 H PHE 53 HN PHE 53 -8.427 -4.872 4.871 376 HA PHE 53 HA PHE 53 -6.283 -5.995 6.544 377 1HB PHE 53 HB2 PHE 53 -7.351 -3.853 7.536 378 2HB PHE 53 HB1 PHE 53 -8.776 -4.849 7.792 379 HD1 PHE 53 HD2 PHE 53 -5.198 -4.499 8.640 380 HD2 PHE 53 HD1 PHE 53 -8.937 -6.266 9.643 381 HE1 PHE 53 HE2 PHE 53 -4.270 -5.235 10.794 382 HE2 PHE 53 HE1 PHE 53 -8.016 -7.002 11.799 383 HZ PHE 53 HZ PHE 53 -5.679 -6.486 12.377 384 H CYS 54 HN CYS 54 -6.587 -8.117 6.105 385 HA CYS 54 HA CYS 54 -9.190 -9.157 5.471 386 1HB CYS 54 HB2 CYS 54 -7.988 -11.337 5.247 387 2HB CYS 54 HB1 CYS 54 -7.312 -10.052 4.256 388 H GLN 55 HN GLN 55 -10.465 -8.994 7.277 389 HA GLN 55 HA GLN 55 -9.576 -9.700 9.878 390 1HB GLN 55 HB2 GLN 55 -12.386 -9.349 8.825 391 2HB GLN 55 HB1 GLN 55 -11.950 -9.475 10.523 392 1HG GLN 55 HG2 GLN 55 -10.615 -7.423 10.309 393 2HG GLN 55 HG1 GLN 55 -11.118 -7.293 8.624 394 1HE2 GLN 55 HE21 GLN 55 -13.807 -8.308 9.242 395 2HE2 GLN 55 HE22 GLN 55 -14.645 -6.992 9.992 396 H ASN 56 HN ASN 56 -12.457 -11.161 8.434 397 HA ASN 56 HA ASN 56 -11.720 -13.671 9.733 398 1HB ASN 56 HB2 ASN 56 -14.004 -12.611 10.027 399 2HB ASN 56 HB1 ASN 56 -14.321 -13.008 8.342 400 1HD2 ASN 56 HD21 ASN 56 -13.854 -14.246 11.542 401 2HD2 ASN 56 HD22 ASN 56 -14.417 -15.860 11.228 402 H GLY 57 HN GLY 57 -11.763 -12.214 6.661 403 1HA GLY 57 HA2 GLY 57 -12.137 -14.555 5.073 404 2HA GLY 57 HA1 GLY 57 -11.501 -13.015 4.521 405 H HIS 58 HN HIS 58 -9.603 -13.721 7.051 406 HA HIS 58 HA HIS 58 -7.927 -15.759 5.986 407 1HB HIS 58 HB2 HIS 58 -7.277 -14.082 4.377 408 2HB HIS 58 HB1 HIS 58 -7.037 -12.888 5.648 409 HD2 HIS 58 HD2 HIS 58 -5.331 -16.281 4.539 410 HE1 HIS 58 HE1 HIS 58 -2.449 -13.836 6.454 411 HE2 HIS 58 HE2 HIS 58 -2.825 -15.879 5.049 412 H GLY 59 HN GLY 59 -7.578 -12.716 7.824 413 1HA GLY 59 HA2 GLY 59 -7.344 -13.421 10.355 414 2HA GLY 59 HA1 GLY 59 -5.856 -14.120 9.720 415 H LEU 60 HN LEU 60 -6.508 -11.824 11.570 416 HA LEU 60 HA LEU 60 -5.883 -9.411 10.177 417 1HB LEU 60 HB2 LEU 60 -6.010 -8.339 12.311 418 2HB LEU 60 HB1 LEU 60 -7.311 -9.503 12.200 419 HG LEU 60 HG LEU 60 -4.741 -10.137 13.643 420 1HD1 LEU 60 HD11 LEU 60 -7.242 -8.887 14.774 421 2HD1 LEU 60 HD12 LEU 60 -5.654 -8.127 14.654 422 3HD1 LEU 60 HD13 LEU 60 -5.890 -9.514 15.717 423 1HD2 LEU 60 HD21 LEU 60 -6.146 -11.762 14.809 424 2HD2 LEU 60 HD22 LEU 60 -6.176 -12.032 13.066 425 3HD2 LEU 60 HD23 LEU 60 -7.540 -11.246 13.860 426 H ILE 61 HN ILE 61 -4.067 -8.047 10.542 427 HA ILE 61 HA ILE 61 -1.666 -9.390 11.619 428 HB ILE 61 HB ILE 61 -1.331 -7.286 9.529 429 1HG1 ILE 61 HG12 ILE 61 -1.150 -9.323 7.868 430 2HG1 ILE 61 HG11 ILE 61 -2.307 -10.057 8.974 431 1HG2 ILE 61 HG21 ILE 61 0.621 -8.091 10.685 432 2HG2 ILE 61 HG22 ILE 61 0.684 -8.617 9.003 433 3HG2 ILE 61 HG23 ILE 61 0.225 -9.759 10.266 434 1HD1 ILE 61 HD11 ILE 61 -2.675 -7.459 7.497 435 2HD1 ILE 61 HD12 ILE 61 -3.835 -8.181 8.612 436 3HD1 ILE 61 HD13 ILE 61 -3.433 -9.001 7.103 437 H SER 62 HN SER 62 -0.287 -8.018 12.825 438 HA SER 62 HA SER 62 -1.265 -5.528 13.759 439 1HB SER 62 HB2 SER 62 0.444 -6.828 15.003 440 2HB SER 62 HB1 SER 62 1.590 -6.567 13.688 441 HG SER 62 HG SER 62 0.778 -4.859 15.697 442 H LYS 63 HN LYS 63 -1.005 -3.485 12.877 443 HA LYS 63 HA LYS 63 -0.514 -3.383 10.087 444 1HB LYS 63 HB2 LYS 63 -0.808 -1.100 12.046 445 2HB LYS 63 HB1 LYS 63 -0.902 -0.966 10.294 446 1HG LYS 63 HG2 LYS 63 -2.845 -2.526 10.342 447 2HG LYS 63 HG1 LYS 63 -2.793 -2.451 12.103 448 1HD LYS 63 HD2 LYS 63 -4.442 -0.896 11.411 449 2HD LYS 63 HD1 LYS 63 -3.034 0.054 11.888 450 1HE LYS 63 HE2 LYS 63 -3.959 0.941 9.837 451 2HE LYS 63 HE1 LYS 63 -2.383 0.220 9.515 452 1HZ LYS 63 HZ1 LYS 63 -3.490 -1.740 8.653 453 2HZ LYS 63 HZ2 LYS 63 -4.027 -0.365 7.822 454 3HZ LYS 63 HZ3 LYS 63 -5.009 -1.079 8.996 455 H LYS 64 HN LYS 64 1.552 -3.402 12.667 456 HA LYS 64 HA LYS 64 3.691 -1.812 11.604 457 1HB LYS 64 HB2 LYS 64 3.276 -2.366 14.041 458 2HB LYS 64 HB1 LYS 64 3.808 -3.999 13.684 459 1HG LYS 64 HG2 LYS 64 5.991 -3.039 12.939 460 2HG LYS 64 HG1 LYS 64 5.434 -1.476 13.546 461 1HD LYS 64 HD2 LYS 64 5.018 -2.643 15.757 462 2HD LYS 64 HD1 LYS 64 5.913 -4.011 15.096 463 1HE LYS 64 HE2 LYS 64 7.404 -2.664 16.410 464 2HE LYS 64 HE1 LYS 64 7.841 -2.506 14.709 465 1HZ LYS 64 HZ1 LYS 64 7.003 -0.360 14.612 466 2HZ LYS 64 HZ2 LYS 64 7.718 -0.405 16.148 467 3HZ LYS 64 HZ3 LYS 64 6.035 -0.551 15.990 468 H ARG 65 HN ARG 65 2.427 -4.918 10.985 469 HA ARG 65 HA ARG 65 4.942 -5.752 9.692 470 1HB ARG 65 HB2 ARG 65 2.927 -7.386 11.205 471 2HB ARG 65 HB1 ARG 65 4.017 -8.121 10.036 472 1HG ARG 65 HG2 ARG 65 4.731 -6.696 12.581 473 2HG ARG 65 HG1 ARG 65 5.006 -8.390 12.165 474 1HD ARG 65 HD2 ARG 65 6.354 -5.955 11.033 475 2HD ARG 65 HD1 ARG 65 7.089 -7.284 11.926 476 HE ARG 65 HE ARG 65 5.955 -8.388 9.659 477 1HH1 ARG 65 HH11 ARG 65 8.468 -6.066 10.410 478 2HH1 ARG 65 HH12 ARG 65 9.354 -6.369 8.942 479 1HH2 ARG 65 HH21 ARG 65 7.081 -8.750 7.720 480 2HH2 ARG 65 HH22 ARG 65 8.562 -7.890 7.415 481 H VAL 66 HN VAL 66 2.168 -4.479 8.870 482 HA VAL 66 HA VAL 66 1.336 -6.380 6.847 483 HB VAL 66 HB VAL 66 0.415 -3.534 7.312 484 1HG1 VAL 66 HG11 VAL 66 -1.510 -4.163 5.944 485 2HG1 VAL 66 HG12 VAL 66 -0.785 -5.740 5.644 486 3HG1 VAL 66 HG13 VAL 66 -0.005 -4.279 5.035 487 1HG2 VAL 66 HG21 VAL 66 -0.860 -6.137 8.141 488 2HG2 VAL 66 HG22 VAL 66 -1.535 -4.527 8.381 489 3HG2 VAL 66 HG23 VAL 66 -0.054 -4.997 9.218 490 H ASN 67 HN ASN 67 1.703 -6.187 4.648 491 HA ASN 67 HA ASN 67 4.065 -4.637 3.985 492 1HB ASN 67 HB2 ASN 67 3.826 -7.028 3.288 493 2HB ASN 67 HB1 ASN 67 2.499 -6.548 2.237 494 1HD2 ASN 67 HD21 ASN 67 3.490 -7.144 0.350 495 2HD2 ASN 67 HD22 ASN 67 4.872 -6.330 -0.294 496 H PHE 68 HN PHE 68 3.416 -2.520 3.828 497 HA PHE 68 HA PHE 68 1.218 -1.801 2.084 498 1HB PHE 68 HB2 PHE 68 3.210 -0.110 3.610 499 2HB PHE 68 HB1 PHE 68 1.908 0.548 2.628 500 HD1 PHE 68 HD1 PHE 68 -0.417 0.318 3.334 501 HD2 PHE 68 HD2 PHE 68 2.789 -1.074 5.760 502 HE1 PHE 68 HE1 PHE 68 -1.937 0.201 5.265 503 HE2 PHE 68 HE2 PHE 68 1.275 -1.198 7.696 504 HZ PHE 68 HZ PHE 68 -1.090 -0.562 7.452 505 H VAL 69 HN VAL 69 1.663 -2.221 -0.002 506 HA VAL 69 HA VAL 69 4.271 -1.381 -1.066 507 HB VAL 69 HB VAL 69 3.720 -3.750 -1.384 508 1HG1 VAL 69 HG11 VAL 69 1.383 -2.762 -3.014 509 2HG1 VAL 69 HG12 VAL 69 1.287 -3.577 -1.454 510 3HG1 VAL 69 HG13 VAL 69 1.903 -4.441 -2.863 511 1HG2 VAL 69 HG21 VAL 69 3.719 -2.160 -3.945 512 2HG2 VAL 69 HG22 VAL 69 4.097 -3.877 -3.814 513 3HG2 VAL 69 HG23 VAL 69 5.137 -2.684 -3.034 514 H ILE 70 HN ILE 70 4.423 0.018 -2.791 515 HA ILE 70 HA ILE 70 2.133 1.679 -3.335 516 HB ILE 70 HB ILE 70 4.871 1.754 -4.618 517 1HG1 ILE 70 HG12 ILE 70 3.779 3.366 -2.299 518 2HG1 ILE 70 HG11 ILE 70 4.969 2.076 -2.169 519 1HG2 ILE 70 HG21 ILE 70 2.644 3.785 -4.536 520 2HG2 ILE 70 HG22 ILE 70 3.189 2.881 -5.947 521 3HG2 ILE 70 HG23 ILE 70 4.254 4.067 -5.197 522 1HD1 ILE 70 HD11 ILE 70 5.345 4.669 -3.657 523 2HD1 ILE 70 HD12 ILE 70 6.541 3.382 -3.494 524 3HD1 ILE 70 HD13 ILE 70 6.007 4.276 -2.069 525 H SER 71 HN SER 71 0.630 0.537 -4.490 526 HA SER 71 HA SER 71 1.511 -0.467 -7.108 527 1HB SER 71 HB2 SER 71 -0.652 -1.889 -6.912 528 2HB SER 71 HB1 SER 71 0.762 -2.373 -5.974 529 HG SER 71 HG SER 71 -1.661 -1.754 -5.087 530 H ASP 72 HN ASP 72 1.230 1.488 -8.151 531 HA ASP 72 HA ASP 72 -1.545 2.447 -8.364 532 1HB ASP 72 HB2 ASP 72 -0.694 4.577 -9.010 533 2HB ASP 72 HB1 ASP 72 0.275 4.071 -7.632 534 H GLN 73 HN GLN 73 0.292 0.301 -9.749 535 HA GLN 73 HA GLN 73 0.214 1.079 -12.508 536 1HB GLN 73 HB2 GLN 73 0.867 -1.451 -12.753 537 2HB GLN 73 HB1 GLN 73 2.026 -0.286 -12.133 538 1HG GLN 73 HG2 GLN 73 2.205 -2.173 -10.751 539 2HG GLN 73 HG1 GLN 73 1.311 -0.980 -9.817 540 1HE2 GLN 73 HE21 GLN 73 0.012 -2.995 -12.405 541 2HE2 GLN 73 HE22 GLN 73 -1.084 -3.873 -11.393 542 H LEU 74 HN LEU 74 -0.869 -0.163 -14.173 543 HA LEU 74 HA LEU 74 -3.635 -0.553 -13.554 544 1HB LEU 74 HB2 LEU 74 -2.678 0.402 -15.694 545 2HB LEU 74 HB1 LEU 74 -2.183 -1.223 -16.120 546 HG LEU 74 HG LEU 74 -4.310 -0.363 -17.195 547 1HD1 LEU 74 HD11 LEU 74 -3.740 -2.729 -17.185 548 2HD1 LEU 74 HD12 LEU 74 -5.479 -2.494 -17.006 549 3HD1 LEU 74 HD13 LEU 74 -4.497 -2.912 -15.602 550 1HD2 LEU 74 HD21 LEU 74 -5.255 0.731 -15.233 551 2HD2 LEU 74 HD22 LEU 74 -5.415 -0.831 -14.432 552 3HD2 LEU 74 HD23 LEU 74 -6.357 -0.483 -15.881 553 H GLU 75 HN GLU 75 -4.222 -2.290 -12.447 554 HA GLU 75 HA GLU 75 -2.965 -4.872 -13.055 555 1HB GLU 75 HB2 GLU 75 -4.319 -5.466 -10.859 556 2HB GLU 75 HB1 GLU 75 -2.745 -4.691 -10.790 557 1HG GLU 75 HG2 GLU 75 -4.380 -3.704 -9.238 558 2HG GLU 75 HG1 GLU 75 -3.753 -2.545 -10.407 559 H HIS 76 HN HIS 76 -5.629 -3.174 -13.920 560 HA HIS 76 HA HIS 76 -7.683 -5.089 -13.551 561 1HB HIS 76 HB2 HIS 76 -7.427 -2.513 -14.995 562 2HB HIS 76 HB1 HIS 76 -8.719 -3.592 -15.509 563 HD1 HIS 76 HD1 HIS 76 -7.435 -2.224 -12.165 564 HD2 HIS 76 HD2 HIS 76 -10.992 -3.163 -14.123 565 HE1 HIS 76 HE1 HIS 76 -9.282 -1.582 -10.585 566 HE2 HIS 76 HE2 HIS 76 -11.404 -2.337 -11.707 567 H HIS 77 HN HIS 77 -6.687 -3.958 -16.805 568 HA HIS 77 HA HIS 77 -7.090 -6.756 -17.629 569 1HB HIS 77 HB2 HIS 77 -8.788 -5.101 -18.462 570 2HB HIS 77 HB1 HIS 77 -7.499 -4.324 -19.373 571 HD1 HIS 77 HD1 HIS 77 -7.014 -5.254 -21.653 572 HD2 HIS 77 HD2 HIS 77 -9.295 -7.841 -19.320 573 HE1 HIS 77 HE1 HIS 77 -7.683 -7.144 -23.182 574 HE2 HIS 77 HE2 HIS 77 -8.976 -8.751 -21.723 575 H HIS 78 HN HIS 78 -4.811 -7.054 -17.119 576 HA HIS 78 HA HIS 78 -3.414 -7.565 -19.428 577 1HB HIS 78 HB2 HIS 78 -3.108 -4.941 -19.242 578 2HB HIS 78 HB1 HIS 78 -1.877 -5.384 -18.063 579 HD1 HIS 78 HD1 HIS 78 -2.598 -5.339 -21.698 580 HD2 HIS 78 HD2 HIS 78 0.346 -6.807 -19.148 581 HE1 HIS 78 HE1 HIS 78 -0.667 -5.970 -23.181 582 HE2 HIS 78 HE2 HIS 78 0.995 -7.068 -21.645 583 H HIS 79 HN HIS 79 -2.919 -6.479 -16.106 584 HA HIS 79 HA HIS 79 -0.948 -8.436 -15.463 585 1HB HIS 79 HB2 HIS 79 -1.218 -6.336 -14.184 586 2HB HIS 79 HB1 HIS 79 -2.819 -6.849 -13.674 587 HD1 HIS 79 HD1 HIS 79 -2.976 -8.457 -11.707 588 HD2 HIS 79 HD2 HIS 79 0.933 -7.642 -12.886 589 HE1 HIS 79 HE1 HIS 79 -1.510 -9.324 -9.856 590 HE2 HIS 79 HE2 HIS 79 0.814 -8.571 -10.470 591 H HIS 80 HN HIS 80 -1.831 -10.382 -16.257 592 HA HIS 80 HA HIS 80 -4.438 -11.178 -15.200 593 1HB HIS 80 HB2 HIS 80 -4.472 -12.863 -16.978 594 2HB HIS 80 HB1 HIS 80 -4.222 -11.248 -17.622 595 HD1 HIS 80 HD1 HIS 80 -1.890 -10.746 -18.689 596 HD2 HIS 80 HD2 HIS 80 -2.411 -14.668 -17.412 597 HE1 HIS 80 HE1 HIS 80 -0.024 -12.058 -19.751 598 HE2 HIS 80 HE2 HIS 80 -0.520 -14.460 -19.157 599 H HIS 81 HN HIS 81 -4.824 -13.283 -14.437 600 HA HIS 81 HA HIS 81 -2.485 -14.683 -13.367 601 1HB HIS 81 HB2 HIS 81 -3.806 -14.900 -11.165 602 2HB HIS 81 HB1 HIS 81 -3.007 -13.368 -11.488 603 HD1 HIS 81 HD1 HIS 81 -6.353 -14.896 -10.963 604 HD2 HIS 81 HD2 HIS 81 -4.774 -11.217 -12.092 605 HE1 HIS 81 HE1 HIS 81 -8.250 -13.260 -10.783 606 HE2 HIS 81 HE2 HIS 81 -7.316 -11.076 -11.636 Start of MODEL 2 1 1H MET 1 HT1 MET 1 9.712 2.219 9.187 2 2H MET 1 HT2 MET 1 11.212 2.968 8.939 3 3H MET 1 HT3 MET 1 11.141 1.358 9.466 4 HA MET 1 HA MET 1 11.704 1.583 7.097 5 1HB MET 1 HB2 MET 1 9.056 0.243 7.696 6 2HB MET 1 HB1 MET 1 10.077 -0.093 6.306 7 1HG MET 1 HG2 MET 1 10.331 -1.799 8.008 8 2HG MET 1 HG1 MET 1 11.835 -0.910 7.779 9 1HE MET 1 HE1 MET 1 11.878 -1.816 11.597 10 2HE MET 1 HE2 MET 1 12.728 -1.953 10.058 11 3HE MET 1 HE3 MET 1 11.200 -2.798 10.301 12 H GLU 2 HN GLU 2 11.584 3.387 5.886 13 HA GLU 2 HA GLU 2 8.922 4.475 5.324 14 1HB GLU 2 HB2 GLU 2 10.359 6.384 4.283 15 2HB GLU 2 HB1 GLU 2 10.162 6.280 6.023 16 1HG GLU 2 HG2 GLU 2 12.425 6.804 5.583 17 2HG GLU 2 HG1 GLU 2 12.374 5.133 6.130 18 H ILE 3 HN ILE 3 8.219 4.896 3.238 19 HA ILE 3 HA ILE 3 9.273 3.153 1.197 20 HB ILE 3 HB ILE 3 7.042 5.200 1.017 21 1HG1 ILE 3 HG12 ILE 3 5.650 3.012 0.872 22 2HG1 ILE 3 HG11 ILE 3 7.056 2.243 1.596 23 1HG2 ILE 3 HG21 ILE 3 8.027 4.763 -1.157 24 2HG2 ILE 3 HG22 ILE 3 6.418 4.048 -1.058 25 3HG2 ILE 3 HG23 ILE 3 7.846 3.025 -0.911 26 1HD1 ILE 3 HD11 ILE 3 5.393 2.794 3.270 27 2HD1 ILE 3 HD12 ILE 3 5.455 4.492 2.796 28 3HD1 ILE 3 HD13 ILE 3 6.867 3.727 3.527 29 H THR 4 HN THR 4 11.158 3.794 0.385 30 HA THR 4 HA THR 4 11.888 6.551 0.186 31 HB THR 4 HB THR 4 13.389 4.281 -1.092 32 HG1 THR 4 HG1 THR 4 13.138 4.951 1.671 33 1HG2 THR 4 HG21 THR 4 14.220 6.548 -1.476 34 2HG2 THR 4 HG22 THR 4 15.333 5.644 -0.447 35 3HG2 THR 4 HG23 THR 4 14.249 6.842 0.263 36 H CYS 5 HN CYS 5 11.360 7.856 -1.413 37 HA CYS 5 HA CYS 5 10.286 7.017 -3.900 38 1HB CYS 5 HB2 CYS 5 9.780 9.220 -2.983 39 2HB CYS 5 HB1 CYS 5 11.479 9.669 -3.053 40 HA PRO 6 HA PRO 6 14.149 5.867 -5.785 41 1HB PRO 6 HB2 PRO 6 13.201 5.597 -8.331 42 2HB PRO 6 HB1 PRO 6 12.980 4.377 -7.071 43 1HG PRO 6 HG2 PRO 6 11.074 6.469 -8.043 44 2HG PRO 6 HG1 PRO 6 10.762 4.773 -7.629 45 1HD PRO 6 HD2 PRO 6 10.168 6.803 -5.948 46 2HD PRO 6 HD1 PRO 6 10.686 5.209 -5.364 47 H VAL 7 HN VAL 7 12.171 8.559 -6.754 48 HA VAL 7 HA VAL 7 14.111 9.560 -8.652 49 HB VAL 7 HB VAL 7 11.616 10.927 -7.638 50 1HG1 VAL 7 HG11 VAL 7 11.797 12.237 -9.705 51 2HG1 VAL 7 HG12 VAL 7 13.302 11.405 -10.095 52 3HG1 VAL 7 HG13 VAL 7 13.212 12.447 -8.674 53 1HG2 VAL 7 HG21 VAL 7 10.543 10.114 -9.688 54 2HG2 VAL 7 HG22 VAL 7 11.053 8.783 -8.650 55 3HG2 VAL 7 HG23 VAL 7 11.997 9.196 -10.081 56 H CYS 8 HN CYS 8 12.586 11.029 -5.748 57 HA CYS 8 HA CYS 8 14.776 12.913 -5.620 58 1HB CYS 8 HB2 CYS 8 13.534 14.013 -3.863 59 2HB CYS 8 HB1 CYS 8 12.446 13.631 -5.190 60 H HIS 9 HN HIS 9 14.348 9.833 -4.515 61 HA HIS 9 HA HIS 9 15.326 8.504 -2.951 62 1HB HIS 9 HB2 HIS 9 17.321 9.501 -4.217 63 2HB HIS 9 HB1 HIS 9 17.534 10.558 -2.826 64 HD1 HIS 9 HD1 HIS 9 17.898 7.002 -3.926 65 HD2 HIS 9 HD2 HIS 9 18.572 9.314 -0.532 66 HE1 HIS 9 HE1 HIS 9 19.273 5.565 -2.383 67 HE2 HIS 9 HE2 HIS 9 19.794 7.037 -0.404 68 H HIS 10 HN HIS 10 13.393 9.861 -1.841 69 HA HIS 10 HA HIS 10 14.397 10.523 0.830 70 1HB HIS 10 HB2 HIS 10 12.952 12.319 -1.008 71 2HB HIS 10 HB1 HIS 10 12.275 12.230 0.611 72 HD1 HIS 10 HD1 HIS 10 13.070 14.118 1.949 73 HD2 HIS 10 HD2 HIS 10 16.022 12.727 -0.630 74 HE1 HIS 10 HE1 HIS 10 15.054 15.619 2.313 75 HE2 HIS 10 HE2 HIS 10 16.905 14.582 0.947 76 H ALA 11 HN ALA 11 12.731 10.344 2.471 77 HA ALA 11 HA ALA 11 11.032 8.111 2.098 78 1HB ALA 11 HB1 ALA 11 11.065 10.151 4.321 79 2HB ALA 11 HB2 ALA 11 12.006 8.660 4.270 80 3HB ALA 11 HB3 ALA 11 10.247 8.590 4.364 81 H LEU 12 HN LEU 12 9.070 8.051 1.218 82 HA LEU 12 HA LEU 12 7.701 10.428 0.439 83 1HB LEU 12 HB2 LEU 12 6.881 7.527 0.431 84 2HB LEU 12 HB1 LEU 12 5.858 8.816 -0.178 85 HG LEU 12 HG LEU 12 8.582 8.094 -1.260 86 1HD1 LEU 12 HD11 LEU 12 6.909 6.392 -1.759 87 2HD1 LEU 12 HD12 LEU 12 7.348 7.291 -3.212 88 3HD1 LEU 12 HD13 LEU 12 5.825 7.632 -2.390 89 1HD2 LEU 12 HD21 LEU 12 7.975 9.648 -3.079 90 2HD2 LEU 12 HD22 LEU 12 8.131 10.456 -1.519 91 3HD2 LEU 12 HD23 LEU 12 6.532 10.106 -2.174 92 H GLU 13 HN GLU 13 5.638 11.120 1.117 93 HA GLU 13 HA GLU 13 5.144 10.588 3.955 94 1HB GLU 13 HB2 GLU 13 5.585 12.916 3.352 95 2HB GLU 13 HB1 GLU 13 4.277 12.876 2.180 96 1HG GLU 13 HG2 GLU 13 2.645 12.671 3.909 97 2HG GLU 13 HG1 GLU 13 3.901 12.476 5.133 98 H ARG 14 HN ARG 14 3.703 9.012 4.215 99 HA ARG 14 HA ARG 14 1.761 8.511 2.129 100 1HB ARG 14 HB2 ARG 14 1.201 6.482 3.478 101 2HB ARG 14 HB1 ARG 14 2.870 6.571 2.946 102 1HG ARG 14 HG2 ARG 14 3.107 5.843 5.103 103 2HG ARG 14 HG1 ARG 14 3.284 7.584 5.308 104 1HD ARG 14 HD2 ARG 14 0.921 7.733 5.963 105 2HD ARG 14 HD1 ARG 14 0.767 5.986 5.777 106 HE ARG 14 HE ARG 14 2.872 6.439 7.541 107 1HH1 ARG 14 HH11 ARG 14 -0.584 7.051 7.445 108 2HH1 ARG 14 HH12 ARG 14 -0.777 6.925 9.165 109 1HH2 ARG 14 HH21 ARG 14 2.598 6.256 9.801 110 2HH2 ARG 14 HH22 ARG 14 1.020 6.468 10.497 111 H ASN 15 HN ASN 15 -0.341 8.839 2.187 112 HA ASN 15 HA ASN 15 -1.493 10.137 4.552 113 1HB ASN 15 HB2 ASN 15 -2.812 9.686 1.867 114 2HB ASN 15 HB1 ASN 15 -3.305 10.812 3.127 115 1HD2 ASN 15 HD21 ASN 15 -2.059 12.696 3.465 116 2HD2 ASN 15 HD22 ASN 15 -1.049 13.324 2.205 117 H GLY 16 HN GLY 16 -1.494 7.245 2.701 118 1HA GLY 16 HA2 GLY 16 -2.433 5.378 4.300 119 2HA GLY 16 HA1 GLY 16 -3.938 6.208 3.912 120 H ASP 17 HN ASP 17 -4.607 6.311 1.699 121 HA ASP 17 HA ASP 17 -3.905 3.968 0.149 122 1HB ASP 17 HB2 ASP 17 -5.793 6.268 -0.401 123 2HB ASP 17 HB1 ASP 17 -5.572 4.901 -1.487 124 H THR 18 HN THR 18 -2.765 7.111 0.443 125 HA THR 18 HA THR 18 -1.517 6.990 -2.214 126 HB THR 18 HB THR 18 -2.540 9.521 -0.912 127 HG1 THR 18 HG1 THR 18 -3.731 7.677 -2.676 128 1HG2 THR 18 HG21 THR 18 -1.556 8.954 -3.715 129 2HG2 THR 18 HG22 THR 18 -0.694 9.875 -2.480 130 3HG2 THR 18 HG23 THR 18 -2.207 10.493 -3.147 131 H ALA 19 HN ALA 19 0.575 7.634 -2.347 132 HA ALA 19 HA ALA 19 1.884 8.560 0.129 133 1HB ALA 19 HB1 ALA 19 3.963 7.678 -0.779 134 2HB ALA 19 HB2 ALA 19 3.139 7.203 -2.264 135 3HB ALA 19 HB3 ALA 19 2.736 6.413 -0.741 136 H HIS 20 HN HIS 20 2.055 10.706 0.073 137 HA HIS 20 HA HIS 20 2.196 12.089 -2.478 138 1HB HIS 20 HB2 HIS 20 0.701 12.908 -0.673 139 2HB HIS 20 HB1 HIS 20 2.113 13.201 0.338 140 HD1 HIS 20 HD1 HIS 20 0.611 14.357 -2.943 141 HD2 HIS 20 HD2 HIS 20 3.253 15.655 -0.000 142 HE1 HIS 20 HE1 HIS 20 1.149 16.751 -3.513 143 HE2 HIS 20 HE2 HIS 20 2.546 17.579 -1.581 144 H CYS 21 HN CYS 21 4.077 12.613 -3.398 145 HA CYS 21 HA CYS 21 6.511 12.306 -1.908 146 1HB CYS 21 HB2 CYS 21 6.426 11.668 -4.282 147 2HB CYS 21 HB1 CYS 21 6.114 13.347 -4.719 148 H GLU 22 HN GLU 22 7.564 13.720 -0.885 149 HA GLU 22 HA GLU 22 6.586 16.359 -0.457 150 1HB GLU 22 HB2 GLU 22 9.058 16.250 0.747 151 2HB GLU 22 HB1 GLU 22 7.536 15.793 1.491 152 1HG GLU 22 HG2 GLU 22 9.268 14.098 1.822 153 2HG GLU 22 HG1 GLU 22 7.897 13.475 0.911 154 H THR 23 HN THR 23 8.438 15.208 -2.960 155 HA THR 23 HA THR 23 9.861 17.773 -3.206 156 HB THR 23 HB THR 23 11.396 15.620 -4.386 157 HG1 THR 23 HG1 THR 23 11.213 15.529 -1.543 158 1HG2 THR 23 HG21 THR 23 11.981 17.586 -2.161 159 2HG2 THR 23 HG22 THR 23 12.298 17.837 -3.879 160 3HG2 THR 23 HG23 THR 23 13.180 16.593 -2.990 161 H CYS 24 HN CYS 24 9.108 14.785 -5.016 162 HA CYS 24 HA CYS 24 9.363 16.134 -7.537 163 1HB CYS 24 HB2 CYS 24 8.232 13.380 -7.029 164 2HB CYS 24 HB1 CYS 24 8.973 13.985 -8.509 165 H ALA 25 HN ALA 25 6.979 16.120 -5.276 166 HA ALA 25 HA ALA 25 4.827 16.828 -5.211 167 1HB ALA 25 HB1 ALA 25 5.732 18.674 -6.547 168 2HB ALA 25 HB2 ALA 25 4.057 18.316 -6.965 169 3HB ALA 25 HB3 ALA 25 5.364 17.780 -8.020 170 H LYS 26 HN LYS 26 5.535 14.151 -6.369 171 HA LYS 26 HA LYS 26 3.204 13.666 -8.084 172 1HB LYS 26 HB2 LYS 26 5.601 13.009 -8.760 173 2HB LYS 26 HB1 LYS 26 5.470 11.750 -7.544 174 1HG LYS 26 HG2 LYS 26 3.571 10.788 -8.728 175 2HG LYS 26 HG1 LYS 26 3.671 12.068 -9.938 176 1HD LYS 26 HD2 LYS 26 6.019 11.322 -10.401 177 2HD LYS 26 HD1 LYS 26 5.720 9.939 -9.351 178 1HE LYS 26 HE2 LYS 26 5.395 9.283 -11.646 179 2HE LYS 26 HE1 LYS 26 3.842 9.278 -10.814 180 1HZ LYS 26 HZ1 LYS 26 3.847 10.297 -13.084 181 2HZ LYS 26 HZ2 LYS 26 4.787 11.566 -12.454 182 3HZ LYS 26 HZ3 LYS 26 3.223 11.289 -11.858 183 H ASP 27 HN ASP 27 1.693 12.093 -7.528 184 HA ASP 27 HA ASP 27 1.851 11.142 -4.746 185 1HB ASP 27 HB2 ASP 27 -0.552 11.723 -6.488 186 2HB ASP 27 HB1 ASP 27 -0.662 10.884 -4.945 187 H PHE 28 HN PHE 28 1.922 9.030 -4.362 188 HA PHE 28 HA PHE 28 1.651 7.220 -6.671 189 1HB PHE 28 HB2 PHE 28 3.210 6.832 -4.102 190 2HB PHE 28 HB1 PHE 28 3.150 5.700 -5.448 191 HD1 PHE 28 HD1 PHE 28 4.336 6.156 -7.514 192 HD2 PHE 28 HD2 PHE 28 4.511 8.866 -4.236 193 HE1 PHE 28 HE1 PHE 28 6.268 7.276 -8.546 194 HE2 PHE 28 HE2 PHE 28 6.443 9.990 -5.265 195 HZ PHE 28 HZ PHE 28 7.323 9.195 -7.423 196 H SER 29 HN SER 29 0.661 5.149 -6.328 197 HA SER 29 HA SER 29 -1.503 5.259 -4.402 198 1HB SER 29 HB2 SER 29 -0.884 3.126 -6.460 199 2HB SER 29 HB1 SER 29 -2.397 3.330 -5.578 200 HG SER 29 HG SER 29 -2.000 4.261 -7.873 201 H LEU 30 HN LEU 30 -1.533 4.208 -2.512 202 HA LEU 30 HA LEU 30 0.531 2.154 -2.044 203 1HB LEU 30 HB2 LEU 30 -0.771 4.083 -0.133 204 2HB LEU 30 HB1 LEU 30 0.142 2.690 0.403 205 HG LEU 30 HG LEU 30 1.200 5.041 -1.157 206 1HD1 LEU 30 HD11 LEU 30 2.547 5.388 0.873 207 2HD1 LEU 30 HD12 LEU 30 1.692 4.055 1.649 208 3HD1 LEU 30 HD13 LEU 30 0.816 5.515 1.187 209 1HD2 LEU 30 HD21 LEU 30 2.281 2.976 -1.890 210 2HD2 LEU 30 HD22 LEU 30 2.627 2.555 -0.213 211 3HD2 LEU 30 HD23 LEU 30 3.389 3.969 -0.943 212 H GLN 31 HN GLN 31 -0.039 0.233 -1.166 213 HA GLN 31 HA GLN 31 -2.820 -0.152 -0.321 214 1HB GLN 31 HB2 GLN 31 -1.266 -1.922 -2.216 215 2HB GLN 31 HB1 GLN 31 -2.739 -2.430 -1.404 216 1HG GLN 31 HG2 GLN 31 -3.986 -0.676 -2.527 217 2HG GLN 31 HG1 GLN 31 -2.509 -0.109 -3.306 218 1HE2 GLN 31 HE21 GLN 31 -3.370 -0.445 -5.355 219 2HE2 GLN 31 HE22 GLN 31 -3.565 -2.027 -6.022 220 H ALA 32 HN ALA 32 -2.947 -1.169 1.597 221 HA ALA 32 HA ALA 32 -0.567 -2.209 2.846 222 1HB ALA 32 HB1 ALA 32 -2.240 -1.040 4.198 223 2HB ALA 32 HB2 ALA 32 -2.034 -2.700 4.755 224 3HB ALA 32 HB3 ALA 32 -3.440 -2.262 3.788 225 H LEU 33 HN LEU 33 0.149 -4.030 1.843 226 HA LEU 33 HA LEU 33 -1.806 -6.116 1.212 227 1HB LEU 33 HB2 LEU 33 1.087 -5.803 0.411 228 2HB LEU 33 HB1 LEU 33 0.086 -7.175 -0.023 229 HG LEU 33 HG LEU 33 -0.302 -4.317 -0.900 230 1HD1 LEU 33 HD11 LEU 33 0.115 -5.228 -3.130 231 2HD1 LEU 33 HD12 LEU 33 0.423 -6.813 -2.418 232 3HD1 LEU 33 HD13 LEU 33 1.494 -5.460 -2.057 233 1HD2 LEU 33 HD21 LEU 33 -2.170 -5.156 -2.233 234 2HD2 LEU 33 HD22 LEU 33 -2.462 -5.379 -0.508 235 3HD2 LEU 33 HD23 LEU 33 -1.975 -6.751 -1.504 236 H CYS 34 HN CYS 34 -1.508 -8.256 1.847 237 HA CYS 34 HA CYS 34 0.045 -8.593 4.300 238 1HB CYS 34 HB2 CYS 34 -2.366 -9.257 4.247 239 2HB CYS 34 HB1 CYS 34 -1.983 -10.440 3.003 240 HA PRO 35 HA PRO 35 3.521 -10.234 2.220 241 1HB PRO 35 HB2 PRO 35 3.973 -12.360 4.040 242 2HB PRO 35 HB1 PRO 35 4.710 -10.757 4.064 243 1HG PRO 35 HG2 PRO 35 2.402 -11.801 5.611 244 2HG PRO 35 HG1 PRO 35 3.594 -10.567 6.057 245 1HD PRO 35 HD2 PRO 35 1.081 -9.907 5.385 246 2HD PRO 35 HD1 PRO 35 2.463 -8.889 4.918 247 H ASP 36 HN ASP 36 1.239 -12.659 3.429 248 HA ASP 36 HA ASP 36 1.895 -14.482 1.277 249 1HB ASP 36 HB2 ASP 36 0.171 -15.944 2.352 250 2HB ASP 36 HB1 ASP 36 1.453 -15.454 3.454 251 H CYS 37 HN CYS 37 -1.424 -14.353 2.133 252 HA CYS 37 HA CYS 37 -2.534 -13.869 -0.328 253 1HB CYS 37 HB2 CYS 37 -4.545 -13.111 1.040 254 2HB CYS 37 HB1 CYS 37 -3.895 -14.699 1.437 255 H ARG 38 HN ARG 38 -2.046 -12.153 -1.612 256 HA ARG 38 HA ARG 38 -1.969 -9.479 -0.388 257 1HB ARG 38 HB2 ARG 38 -1.050 -10.320 -3.143 258 2HB ARG 38 HB1 ARG 38 -0.812 -8.745 -2.401 259 1HG ARG 38 HG2 ARG 38 0.571 -9.828 -0.657 260 2HG ARG 38 HG1 ARG 38 0.410 -11.353 -1.532 261 1HD ARG 38 HD2 ARG 38 1.376 -10.185 -3.534 262 2HD ARG 38 HD1 ARG 38 1.720 -8.813 -2.479 263 HE ARG 38 HE ARG 38 2.779 -11.278 -1.470 264 1HH1 ARG 38 HH11 ARG 38 3.357 -8.610 -3.668 265 2HH1 ARG 38 HH12 ARG 38 5.079 -8.857 -3.718 266 1HH2 ARG 38 HH21 ARG 38 5.054 -11.603 -1.531 267 2HH2 ARG 38 HH22 ARG 38 6.046 -10.533 -2.480 268 H GLN 39 HN GLN 39 -4.371 -11.105 -1.117 269 HA GLN 39 HA GLN 39 -5.596 -9.228 -3.014 270 1HB GLN 39 HB2 GLN 39 -6.005 -12.223 -3.003 271 2HB GLN 39 HB1 GLN 39 -6.877 -11.084 -4.016 272 1HG GLN 39 HG2 GLN 39 -4.816 -10.478 -5.146 273 2HG GLN 39 HG1 GLN 39 -3.907 -11.567 -4.100 274 1HE2 GLN 39 HE21 GLN 39 -6.059 -13.576 -4.145 275 2HE2 GLN 39 HE22 GLN 39 -5.951 -14.346 -5.691 276 HA PRO 40 HA PRO 40 -9.296 -10.867 -0.603 277 1HB PRO 40 HB2 PRO 40 -9.179 -12.899 1.120 278 2HB PRO 40 HB1 PRO 40 -9.133 -13.169 -0.626 279 1HG PRO 40 HG2 PRO 40 -6.887 -13.149 1.345 280 2HG PRO 40 HG1 PRO 40 -7.181 -14.261 -0.004 281 1HD PRO 40 HD2 PRO 40 -5.449 -12.120 -0.098 282 2HD PRO 40 HD1 PRO 40 -6.208 -12.861 -1.519 283 H LEU 41 HN LEU 41 -7.384 -8.983 0.535 284 HA LEU 41 HA LEU 41 -7.797 -9.141 3.394 285 1HB LEU 41 HB2 LEU 41 -6.472 -7.186 1.567 286 2HB LEU 41 HB1 LEU 41 -6.957 -6.656 3.166 287 HG LEU 41 HG LEU 41 -5.588 -8.556 4.101 288 1HD1 LEU 41 HD11 LEU 41 -4.515 -8.664 1.290 289 2HD1 LEU 41 HD12 LEU 41 -5.468 -9.919 2.081 290 3HD1 LEU 41 HD13 LEU 41 -3.865 -9.516 2.691 291 1HD2 LEU 41 HD21 LEU 41 -4.150 -6.456 2.494 292 2HD2 LEU 41 HD22 LEU 41 -3.484 -7.356 3.856 293 3HD2 LEU 41 HD23 LEU 41 -4.828 -6.242 4.107 294 H GLN 42 HN GLN 42 -9.336 -8.123 4.551 295 HA GLN 42 HA GLN 42 -11.673 -7.203 3.206 296 1HB GLN 42 HB2 GLN 42 -10.939 -6.947 6.126 297 2HB GLN 42 HB1 GLN 42 -12.541 -6.726 5.444 298 1HG GLN 42 HG2 GLN 42 -12.571 -9.079 4.774 299 2HG GLN 42 HG1 GLN 42 -10.973 -9.293 5.491 300 1HE2 GLN 42 HE21 GLN 42 -11.640 -7.430 7.680 301 2HE2 GLN 42 HE22 GLN 42 -12.656 -8.327 8.755 302 H VAL 43 HN VAL 43 -12.357 -5.165 2.810 303 HA VAL 43 HA VAL 43 -10.484 -2.993 3.374 304 HB VAL 43 HB VAL 43 -13.029 -2.852 1.744 305 1HG1 VAL 43 HG11 VAL 43 -12.004 -0.842 0.794 306 2HG1 VAL 43 HG12 VAL 43 -10.612 -1.048 1.857 307 3HG1 VAL 43 HG13 VAL 43 -12.200 -0.700 2.541 308 1HG2 VAL 43 HG21 VAL 43 -11.608 -3.050 -0.244 309 2HG2 VAL 43 HG22 VAL 43 -11.533 -4.503 0.753 310 3HG2 VAL 43 HG23 VAL 43 -10.207 -3.340 0.788 311 H LEU 44 HN LEU 44 -10.811 -2.690 5.553 312 HA LEU 44 HA LEU 44 -13.467 -2.505 6.648 313 1HB LEU 44 HB2 LEU 44 -10.793 -1.922 7.928 314 2HB LEU 44 HB1 LEU 44 -12.321 -2.093 8.772 315 HG LEU 44 HG LEU 44 -10.948 -4.294 7.222 316 1HD1 LEU 44 HD11 LEU 44 -9.719 -3.675 9.242 317 2HD1 LEU 44 HD12 LEU 44 -10.462 -5.268 9.393 318 3HD1 LEU 44 HD13 LEU 44 -11.190 -3.875 10.196 319 1HD2 LEU 44 HD21 LEU 44 -13.383 -4.337 9.002 320 2HD2 LEU 44 HD22 LEU 44 -12.613 -5.746 8.273 321 3HD2 LEU 44 HD23 LEU 44 -13.374 -4.528 7.249 322 H LYS 45 HN LYS 45 -14.525 -0.781 5.856 323 HA LYS 45 HA LYS 45 -13.247 1.840 5.808 324 1HB LYS 45 HB2 LYS 45 -16.029 1.003 4.950 325 2HB LYS 45 HB1 LYS 45 -15.272 2.559 4.635 326 1HG LYS 45 HG2 LYS 45 -13.731 1.628 3.126 327 2HG LYS 45 HG1 LYS 45 -14.090 -0.016 3.655 328 1HD LYS 45 HD2 LYS 45 -16.386 0.250 2.749 329 2HD LYS 45 HD1 LYS 45 -15.914 1.832 2.120 330 1HE LYS 45 HE2 LYS 45 -14.298 0.857 0.668 331 2HE LYS 45 HE1 LYS 45 -14.472 -0.719 1.435 332 1HZ LYS 45 HZ1 LYS 45 -15.633 -0.723 -0.633 333 2HZ LYS 45 HZ2 LYS 45 -16.492 0.680 -0.231 334 3HZ LYS 45 HZ3 LYS 45 -16.785 -0.765 0.614 335 H ALA 46 HN ALA 46 -13.156 2.747 7.785 336 HA ALA 46 HA ALA 46 -15.651 2.846 9.345 337 1HB ALA 46 HB1 ALA 46 -14.364 2.626 11.398 338 2HB ALA 46 HB2 ALA 46 -12.877 2.481 10.463 339 3HB ALA 46 HB3 ALA 46 -14.113 1.229 10.350 340 H CYS 47 HN CYS 47 -15.057 4.505 11.314 341 HA CYS 47 HA CYS 47 -14.994 7.038 10.039 342 1HB CYS 47 HB2 CYS 47 -14.775 6.396 12.986 343 2HB CYS 47 HB1 CYS 47 -15.193 7.960 12.293 344 HG CYS 47 HG CYS 47 -17.671 7.274 11.398 345 H GLY 48 HN GLY 48 -12.605 5.157 11.826 346 1HA GLY 48 HA2 GLY 48 -10.651 7.189 12.067 347 2HA GLY 48 HA1 GLY 48 -10.348 5.457 12.116 348 H ALA 49 HN ALA 49 -10.542 4.388 9.876 349 HA ALA 49 HA ALA 49 -9.937 6.037 7.597 350 1HB ALA 49 HB1 ALA 49 -7.722 5.088 7.161 351 2HB ALA 49 HB2 ALA 49 -7.784 4.229 8.701 352 3HB ALA 49 HB3 ALA 49 -7.743 5.994 8.675 353 H VAL 50 HN VAL 50 -9.009 4.312 5.816 354 HA VAL 50 HA VAL 50 -10.864 2.043 5.908 355 HB VAL 50 HB VAL 50 -10.333 1.855 3.423 356 1HG1 VAL 50 HG11 VAL 50 -12.435 2.761 4.246 357 2HG1 VAL 50 HG12 VAL 50 -11.897 3.646 2.818 358 3HG1 VAL 50 HG13 VAL 50 -11.697 4.353 4.422 359 1HG2 VAL 50 HG21 VAL 50 -9.511 3.881 2.318 360 2HG2 VAL 50 HG22 VAL 50 -8.296 3.199 3.398 361 3HG2 VAL 50 HG23 VAL 50 -9.215 4.620 3.891 362 H ASP 51 HN ASP 51 -9.891 0.384 6.849 363 HA ASP 51 HA ASP 51 -7.015 0.023 6.481 364 1HB ASP 51 HB2 ASP 51 -8.927 -1.281 8.431 365 2HB ASP 51 HB1 ASP 51 -7.193 -1.569 8.372 366 H TYR 52 HN TYR 52 -6.309 -1.362 5.025 367 HA TYR 52 HA TYR 52 -7.948 -3.594 4.155 368 1HB TYR 52 HB2 TYR 52 -5.098 -2.888 3.389 369 2HB TYR 52 HB1 TYR 52 -6.137 -4.056 2.578 370 HD1 TYR 52 HD1 TYR 52 -5.658 -0.454 3.271 371 HD2 TYR 52 HD2 TYR 52 -7.738 -3.360 0.959 372 HE1 TYR 52 HE1 TYR 52 -6.534 1.330 1.830 373 HE2 TYR 52 HE2 TYR 52 -8.616 -1.579 -0.493 374 HH TYR 52 HH TYR 52 -7.505 1.738 -0.206 375 H PHE 53 HN PHE 53 -8.107 -5.146 5.651 376 HA PHE 53 HA PHE 53 -5.768 -5.884 7.274 377 1HB PHE 53 HB2 PHE 53 -7.200 -3.820 8.075 378 2HB PHE 53 HB1 PHE 53 -8.314 -5.065 8.623 379 HD1 PHE 53 HD1 PHE 53 -4.956 -3.647 9.017 380 HD2 PHE 53 HD2 PHE 53 -7.855 -6.344 10.569 381 HE1 PHE 53 HE1 PHE 53 -3.677 -3.807 11.111 382 HE2 PHE 53 HE2 PHE 53 -6.577 -6.518 12.662 383 HZ PHE 53 HZ PHE 53 -4.486 -5.244 12.938 384 H CYS 54 HN CYS 54 -5.769 -8.032 7.425 385 HA CYS 54 HA CYS 54 -8.054 -9.645 6.866 386 1HB CYS 54 HB2 CYS 54 -5.470 -10.444 8.234 387 2HB CYS 54 HB1 CYS 54 -6.648 -11.538 7.528 388 H GLN 55 HN GLN 55 -9.652 -8.892 8.427 389 HA GLN 55 HA GLN 55 -9.004 -9.390 11.217 390 1HB GLN 55 HB2 GLN 55 -10.441 -7.444 10.485 391 2HB GLN 55 HB1 GLN 55 -11.697 -8.614 10.099 392 1HG GLN 55 HG2 GLN 55 -11.773 -9.345 12.402 393 2HG GLN 55 HG1 GLN 55 -10.453 -8.252 12.814 394 1HE2 GLN 55 HE21 GLN 55 -11.642 -7.152 14.320 395 2HE2 GLN 55 HE22 GLN 55 -12.921 -6.068 13.887 396 H ASN 56 HN ASN 56 -10.462 -10.942 8.556 397 HA ASN 56 HA ASN 56 -10.925 -13.301 10.220 398 1HB ASN 56 HB2 ASN 56 -12.809 -12.171 8.146 399 2HB ASN 56 HB1 ASN 56 -12.881 -13.849 8.675 400 1HD2 ASN 56 HD21 ASN 56 -13.487 -14.312 10.790 401 2HD2 ASN 56 HD22 ASN 56 -14.330 -13.166 11.778 402 H GLY 57 HN GLY 57 -11.123 -15.295 8.737 403 1HA GLY 57 HA2 GLY 57 -10.315 -16.573 6.979 404 2HA GLY 57 HA1 GLY 57 -9.800 -15.097 6.179 405 H HIS 58 HN HIS 58 -7.883 -13.992 7.293 406 HA HIS 58 HA HIS 58 -5.860 -16.059 7.736 407 1HB HIS 58 HB2 HIS 58 -5.407 -14.350 5.996 408 2HB HIS 58 HB1 HIS 58 -5.496 -13.090 7.220 409 HD2 HIS 58 HD2 HIS 58 -3.555 -15.770 8.879 410 HE1 HIS 58 HE1 HIS 58 -0.633 -13.536 6.785 411 HE2 HIS 58 HE2 HIS 58 -1.047 -15.440 8.374 412 H GLY 59 HN GLY 59 -6.161 -12.756 9.025 413 1HA GLY 59 HA2 GLY 59 -6.612 -13.029 11.640 414 2HA GLY 59 HA1 GLY 59 -4.973 -13.660 11.516 415 H LEU 60 HN LEU 60 -6.043 -11.214 12.823 416 HA LEU 60 HA LEU 60 -5.538 -8.935 11.256 417 1HB LEU 60 HB2 LEU 60 -5.560 -7.679 13.352 418 2HB LEU 60 HB1 LEU 60 -6.893 -8.808 13.261 419 HG LEU 60 HG LEU 60 -4.388 -9.445 14.811 420 1HD1 LEU 60 HD11 LEU 60 -6.875 -8.067 15.816 421 2HD1 LEU 60 HD12 LEU 60 -5.280 -7.333 15.655 422 3HD1 LEU 60 HD13 LEU 60 -5.536 -8.641 16.808 423 1HD2 LEU 60 HD21 LEU 60 -5.883 -10.945 16.030 424 2HD2 LEU 60 HD22 LEU 60 -5.888 -11.316 14.305 425 3HD2 LEU 60 HD23 LEU 60 -7.235 -10.429 15.021 426 H ILE 61 HN ILE 61 -3.687 -8.616 10.299 427 HA ILE 61 HA ILE 61 -1.148 -9.164 11.579 428 HB ILE 61 HB ILE 61 -1.675 -7.789 8.934 429 1HG1 ILE 61 HG12 ILE 61 -2.659 -10.040 8.937 430 2HG1 ILE 61 HG11 ILE 61 -1.260 -9.962 7.873 431 1HG2 ILE 61 HG21 ILE 61 0.553 -7.383 9.808 432 2HG2 ILE 61 HG22 ILE 61 0.625 -8.439 8.398 433 3HG2 ILE 61 HG23 ILE 61 0.805 -9.117 10.016 434 1HD1 ILE 61 HD11 ILE 61 -1.295 -12.033 9.139 435 2HD1 ILE 61 HD12 ILE 61 -1.301 -11.122 10.650 436 3HD1 ILE 61 HD13 ILE 61 0.101 -11.050 9.583 437 H SER 62 HN SER 62 0.070 -7.665 12.628 438 HA SER 62 HA SER 62 -0.944 -5.229 13.470 439 1HB SER 62 HB2 SER 62 0.919 -6.309 14.613 440 2HB SER 62 HB1 SER 62 1.953 -6.075 13.205 441 HG SER 62 HG SER 62 1.594 -4.426 15.226 442 H LYS 63 HN LYS 63 -0.690 -3.099 12.810 443 HA LYS 63 HA LYS 63 -0.467 -2.709 10.000 444 1HB LYS 63 HB2 LYS 63 -0.629 -0.666 12.224 445 2HB LYS 63 HB1 LYS 63 -0.811 -0.317 10.508 446 1HG LYS 63 HG2 LYS 63 -2.747 -1.912 10.493 447 2HG LYS 63 HG1 LYS 63 -2.621 -1.965 12.252 448 1HD LYS 63 HD2 LYS 63 -2.898 0.513 12.277 449 2HD LYS 63 HD1 LYS 63 -3.190 0.451 10.536 450 1HE LYS 63 HE2 LYS 63 -5.072 -1.115 10.976 451 2HE LYS 63 HE1 LYS 63 -4.825 -0.863 12.702 452 1HZ LYS 63 HZ1 LYS 63 -5.140 1.597 12.155 453 2HZ LYS 63 HZ2 LYS 63 -6.510 0.598 12.138 454 3HZ LYS 63 HZ3 LYS 63 -5.790 1.060 10.674 455 H LYS 64 HN LYS 64 1.827 -3.024 12.361 456 HA LYS 64 HA LYS 64 3.828 -1.362 11.054 457 1HB LYS 64 HB2 LYS 64 4.038 -3.304 13.367 458 2HB LYS 64 HB1 LYS 64 5.335 -2.261 12.799 459 1HG LYS 64 HG2 LYS 64 2.703 -1.190 13.770 460 2HG LYS 64 HG1 LYS 64 4.074 -1.482 14.840 461 1HD LYS 64 HD2 LYS 64 4.136 0.305 12.411 462 2HD LYS 64 HD1 LYS 64 3.923 0.866 14.071 463 1HE LYS 64 HE2 LYS 64 6.321 -0.575 12.942 464 2HE LYS 64 HE1 LYS 64 6.235 1.122 13.414 465 1HZ LYS 64 HZ1 LYS 64 5.788 0.382 15.707 466 2HZ LYS 64 HZ2 LYS 64 7.300 -0.135 15.141 467 3HZ LYS 64 HZ3 LYS 64 6.006 -1.228 15.221 468 H ARG 65 HN ARG 65 2.519 -4.482 10.842 469 HA ARG 65 HA ARG 65 4.935 -5.555 9.567 470 1HB ARG 65 HB2 ARG 65 2.712 -6.809 11.088 471 2HB ARG 65 HB1 ARG 65 3.447 -7.746 9.796 472 1HG ARG 65 HG2 ARG 65 4.886 -6.545 12.152 473 2HG ARG 65 HG1 ARG 65 4.489 -8.251 11.922 474 1HD ARG 65 HD2 ARG 65 6.362 -6.564 10.264 475 2HD ARG 65 HD1 ARG 65 6.787 -7.921 11.309 476 HE ARG 65 HE ARG 65 5.202 -9.171 9.632 477 1HH1 ARG 65 HH11 ARG 65 7.706 -6.812 8.951 478 2HH1 ARG 65 HH12 ARG 65 7.929 -7.328 7.306 479 1HH2 ARG 65 HH21 ARG 65 5.507 -9.862 7.474 480 2HH2 ARG 65 HH22 ARG 65 6.669 -9.062 6.460 481 H VAL 66 HN VAL 66 1.657 -4.615 8.946 482 HA VAL 66 HA VAL 66 1.316 -6.010 6.510 483 HB VAL 66 HB VAL 66 -0.359 -4.286 5.925 484 1HG1 VAL 66 HG11 VAL 66 -1.014 -6.179 7.305 485 2HG1 VAL 66 HG12 VAL 66 -1.904 -4.729 7.767 486 3HG1 VAL 66 HG13 VAL 66 -0.559 -5.290 8.759 487 1HG2 VAL 66 HG21 VAL 66 0.693 -2.322 6.844 488 2HG2 VAL 66 HG22 VAL 66 0.559 -2.972 8.476 489 3HG2 VAL 66 HG23 VAL 66 -0.896 -2.533 7.581 490 H ASN 67 HN ASN 67 1.800 -5.438 4.402 491 HA ASN 67 HA ASN 67 4.081 -3.626 4.267 492 1HB ASN 67 HB2 ASN 67 3.077 -5.734 2.352 493 2HB ASN 67 HB1 ASN 67 4.428 -4.662 1.994 494 1HD2 ASN 67 HD21 ASN 67 4.417 -7.552 2.224 495 2HD2 ASN 67 HD22 ASN 67 5.529 -7.944 3.498 496 H PHE 68 HN PHE 68 3.099 -1.627 4.251 497 HA PHE 68 HA PHE 68 1.282 -0.857 2.173 498 1HB PHE 68 HB2 PHE 68 2.970 0.657 4.152 499 2HB PHE 68 HB1 PHE 68 2.159 1.502 2.842 500 HD1 PHE 68 HD2 PHE 68 1.669 -0.421 5.936 501 HD2 PHE 68 HD1 PHE 68 -0.196 1.832 2.845 502 HE1 PHE 68 HE2 PHE 68 -0.384 -0.270 7.286 503 HE2 PHE 68 HE1 PHE 68 -2.248 1.988 4.191 504 HZ PHE 68 HZ PHE 68 -2.345 0.937 6.414 505 H VAL 69 HN VAL 69 2.051 -1.320 0.178 506 HA VAL 69 HA VAL 69 4.611 -0.079 -0.572 507 HB VAL 69 HB VAL 69 5.054 -1.974 -2.093 508 1HG1 VAL 69 HG11 VAL 69 5.720 -3.597 -0.376 509 2HG1 VAL 69 HG12 VAL 69 4.710 -2.756 0.800 510 3HG1 VAL 69 HG13 VAL 69 6.108 -1.943 0.095 511 1HG2 VAL 69 HG21 VAL 69 2.765 -2.755 -2.405 512 2HG2 VAL 69 HG22 VAL 69 2.700 -3.271 -0.718 513 3HG2 VAL 69 HG23 VAL 69 3.804 -4.065 -1.843 514 H ILE 70 HN ILE 70 4.835 0.281 -2.900 515 HA ILE 70 HA ILE 70 2.356 1.216 -4.065 516 HB ILE 70 HB ILE 70 5.130 1.318 -5.270 517 1HG1 ILE 70 HG12 ILE 70 3.695 3.450 -3.665 518 2HG1 ILE 70 HG11 ILE 70 5.016 2.458 -3.055 519 1HG2 ILE 70 HG21 ILE 70 4.197 3.138 -6.625 520 2HG2 ILE 70 HG22 ILE 70 2.626 2.898 -5.864 521 3HG2 ILE 70 HG23 ILE 70 3.319 1.630 -6.875 522 1HD1 ILE 70 HD11 ILE 70 5.820 4.641 -3.703 523 2HD1 ILE 70 HD12 ILE 70 5.169 4.427 -5.328 524 3HD1 ILE 70 HD13 ILE 70 6.494 3.408 -4.766 525 H SER 71 HN SER 71 1.413 -0.890 -4.266 526 HA SER 71 HA SER 71 2.586 -2.735 -6.167 527 1HB SER 71 HB2 SER 71 0.396 -3.993 -5.674 528 2HB SER 71 HB1 SER 71 1.535 -3.803 -4.339 529 HG SER 71 HG SER 71 -0.954 -3.130 -4.299 530 H ASP 72 HN ASP 72 0.377 -0.138 -6.125 531 HA ASP 72 HA ASP 72 -0.880 -0.903 -8.645 532 1HB ASP 72 HB2 ASP 72 -2.257 0.063 -6.805 533 2HB ASP 72 HB1 ASP 72 -1.321 1.548 -6.921 534 H GLN 73 HN GLN 73 0.489 -0.588 -10.314 535 HA GLN 73 HA GLN 73 1.564 2.100 -10.692 536 1HB GLN 73 HB2 GLN 73 3.778 1.200 -11.336 537 2HB GLN 73 HB1 GLN 73 3.401 0.921 -9.644 538 1HG GLN 73 HG2 GLN 73 2.848 -1.383 -10.107 539 2HG GLN 73 HG1 GLN 73 3.104 -1.121 -11.832 540 1HE2 GLN 73 HE21 GLN 73 5.190 -0.906 -12.616 541 2HE2 GLN 73 HE22 GLN 73 6.581 -1.370 -11.696 542 H LEU 74 HN LEU 74 2.613 2.238 -12.943 543 HA LEU 74 HA LEU 74 0.904 0.771 -14.837 544 1HB LEU 74 HB2 LEU 74 2.114 3.530 -15.083 545 2HB LEU 74 HB1 LEU 74 1.258 2.708 -16.369 546 HG LEU 74 HG LEU 74 -0.748 2.660 -14.764 547 1HD1 LEU 74 HD11 LEU 74 0.459 3.253 -12.724 548 2HD1 LEU 74 HD12 LEU 74 -0.805 4.428 -13.088 549 3HD1 LEU 74 HD13 LEU 74 0.882 4.814 -13.425 550 1HD2 LEU 74 HD21 LEU 74 -0.634 4.053 -16.754 551 2HD2 LEU 74 HD22 LEU 74 0.259 5.281 -15.859 552 3HD2 LEU 74 HD23 LEU 74 -1.414 4.917 -15.430 553 H GLU 75 HN GLU 75 2.043 -0.796 -15.777 554 HA GLU 75 HA GLU 75 4.886 -0.319 -16.327 555 1HB GLU 75 HB2 GLU 75 3.356 -2.651 -15.485 556 2HB GLU 75 HB1 GLU 75 4.406 -2.990 -16.855 557 1HG GLU 75 HG2 GLU 75 5.243 -1.825 -14.210 558 2HG GLU 75 HG1 GLU 75 5.539 -3.470 -14.777 559 H HIS 76 HN HIS 76 5.697 -1.561 -18.254 560 HA HIS 76 HA HIS 76 4.192 -2.189 -20.490 561 1HB HIS 76 HB2 HIS 76 4.495 -0.215 -21.952 562 2HB HIS 76 HB1 HIS 76 3.445 0.134 -20.588 563 HD1 HIS 76 HD1 HIS 76 4.223 1.909 -18.917 564 HD2 HIS 76 HD2 HIS 76 6.962 1.159 -21.956 565 HE1 HIS 76 HE1 HIS 76 5.936 3.741 -18.753 566 HE2 HIS 76 HE2 HIS 76 7.434 3.403 -20.752 567 H HIS 77 HN HIS 77 7.068 -0.851 -19.124 568 HA HIS 77 HA HIS 77 8.840 -2.750 -20.060 569 1HB HIS 77 HB2 HIS 77 8.304 -1.570 -22.295 570 2HB HIS 77 HB1 HIS 77 9.202 -0.200 -21.650 571 HD1 HIS 77 HD1 HIS 77 9.668 -3.769 -22.752 572 HD2 HIS 77 HD2 HIS 77 11.959 -0.456 -21.725 573 HE1 HIS 77 HE1 HIS 77 12.036 -4.365 -23.358 574 HE2 HIS 77 HE2 HIS 77 13.419 -2.458 -22.458 575 H HIS 78 HN HIS 78 8.194 -1.396 -17.749 576 HA HIS 78 HA HIS 78 8.985 -0.252 -15.982 577 1HB HIS 78 HB2 HIS 78 11.014 -1.726 -16.589 578 2HB HIS 78 HB1 HIS 78 11.720 -0.253 -17.245 579 HD1 HIS 78 HD1 HIS 78 13.556 0.040 -15.544 580 HD2 HIS 78 HD2 HIS 78 9.793 -0.380 -13.816 581 HE1 HIS 78 HE1 HIS 78 13.867 0.556 -13.099 582 HE2 HIS 78 HE2 HIS 78 11.641 0.011 -12.046 583 H HIS 79 HN HIS 79 11.560 1.248 -17.742 584 HA HIS 79 HA HIS 79 10.260 3.408 -18.918 585 1HB HIS 79 HB2 HIS 79 9.709 3.872 -16.450 586 2HB HIS 79 HB1 HIS 79 11.422 4.225 -16.247 587 HD1 HIS 79 HD1 HIS 79 11.975 6.633 -16.479 588 HD2 HIS 79 HD2 HIS 79 8.578 5.595 -18.652 589 HE1 HIS 79 HE1 HIS 79 11.108 8.782 -17.463 590 HE2 HIS 79 HE2 HIS 79 8.977 8.150 -18.653 591 H HIS 80 HN HIS 80 13.006 3.542 -16.679 592 HA HIS 80 HA HIS 80 14.980 3.023 -18.667 593 1HB HIS 80 HB2 HIS 80 14.241 5.359 -19.283 594 2HB HIS 80 HB1 HIS 80 14.804 5.889 -17.702 595 HD1 HIS 80 HD1 HIS 80 17.347 6.092 -17.349 596 HD2 HIS 80 HD2 HIS 80 16.262 4.749 -21.136 597 HE1 HIS 80 HE1 HIS 80 19.434 6.229 -18.745 598 HE2 HIS 80 HE2 HIS 80 18.803 5.201 -20.956 599 H HIS 81 HN HIS 81 16.658 2.177 -17.572 600 HA HIS 81 HA HIS 81 16.967 2.978 -14.753 601 1HB HIS 81 HB2 HIS 81 16.444 0.535 -15.284 602 2HB HIS 81 HB1 HIS 81 18.056 0.448 -15.988 603 HD1 HIS 81 HD1 HIS 81 20.083 0.626 -14.331 604 HD2 HIS 81 HD2 HIS 81 16.343 0.509 -12.521 605 HE1 HIS 81 HE1 HIS 81 20.522 0.141 -11.904 606 HE2 HIS 81 HE2 HIS 81 18.231 -0.167 -10.891 Start of MODEL 3 1 1H MET 1 HT1 MET 1 17.306 2.619 3.589 2 2H MET 1 HT2 MET 1 15.737 2.929 3.029 3 3H MET 1 HT3 MET 1 15.964 2.054 4.460 4 HA MET 1 HA MET 1 16.827 3.937 5.582 5 1HB MET 1 HB2 MET 1 18.016 4.963 3.724 6 2HB MET 1 HB1 MET 1 16.501 5.319 2.911 7 1HG MET 1 HG2 MET 1 17.363 7.320 3.902 8 2HG MET 1 HG1 MET 1 15.899 6.837 4.756 9 1HE MET 1 HE1 MET 1 18.137 8.521 7.519 10 2HE MET 1 HE2 MET 1 16.592 8.571 6.671 11 3HE MET 1 HE3 MET 1 18.081 8.961 5.812 12 H GLU 2 HN GLU 2 14.437 4.646 3.035 13 HA GLU 2 HA GLU 2 12.326 4.737 5.068 14 1HB GLU 2 HB2 GLU 2 12.805 6.919 3.023 15 2HB GLU 2 HB1 GLU 2 11.435 6.826 4.116 16 1HG GLU 2 HG2 GLU 2 13.025 7.010 6.018 17 2HG GLU 2 HG1 GLU 2 14.313 7.286 4.843 18 H ILE 3 HN ILE 3 10.287 5.618 3.368 19 HA ILE 3 HA ILE 3 9.862 3.462 1.554 20 HB ILE 3 HB ILE 3 8.477 6.155 1.579 21 1HG1 ILE 3 HG12 ILE 3 7.688 3.590 2.986 22 2HG1 ILE 3 HG11 ILE 3 8.346 5.020 3.777 23 1HG2 ILE 3 HG21 ILE 3 7.627 3.484 0.455 24 2HG2 ILE 3 HG22 ILE 3 8.121 4.899 -0.474 25 3HG2 ILE 3 HG23 ILE 3 6.641 4.945 0.482 26 1HD1 ILE 3 HD11 ILE 3 5.729 4.853 2.299 27 2HD1 ILE 3 HD12 ILE 3 6.387 6.300 3.062 28 3HD1 ILE 3 HD13 ILE 3 5.943 4.908 4.049 29 H THR 4 HN THR 4 10.270 6.910 1.027 30 HA THR 4 HA THR 4 11.656 8.126 -0.272 31 HB THR 4 HB THR 4 13.024 5.537 -1.000 32 HG1 THR 4 HG1 THR 4 14.014 5.635 0.902 33 1HG2 THR 4 HG21 THR 4 13.991 8.395 -0.936 34 2HG2 THR 4 HG22 THR 4 13.649 7.453 -2.388 35 3HG2 THR 4 HG23 THR 4 14.976 6.983 -1.323 36 H CYS 5 HN CYS 5 11.077 9.064 -2.089 37 HA CYS 5 HA CYS 5 9.773 7.636 -4.218 38 1HB CYS 5 HB2 CYS 5 9.312 10.045 -3.560 39 2HB CYS 5 HB1 CYS 5 10.859 10.462 -4.280 40 HA PRO 6 HA PRO 6 13.522 5.946 -5.855 41 1HB PRO 6 HB2 PRO 6 11.926 5.987 -8.380 42 2HB PRO 6 HB1 PRO 6 12.846 4.666 -7.649 43 1HG PRO 6 HG2 PRO 6 10.202 4.701 -7.455 44 2HG PRO 6 HG1 PRO 6 11.198 4.217 -6.069 45 1HD PRO 6 HD2 PRO 6 9.752 6.783 -6.558 46 2HD PRO 6 HD1 PRO 6 9.998 5.895 -5.040 47 H VAL 7 HN VAL 7 11.852 8.336 -7.908 48 HA VAL 7 HA VAL 7 14.361 9.048 -9.176 49 HB VAL 7 HB VAL 7 12.986 10.597 -10.537 50 1HG1 VAL 7 HG11 VAL 7 11.788 8.864 -11.770 51 2HG1 VAL 7 HG12 VAL 7 11.944 7.769 -10.398 52 3HG1 VAL 7 HG13 VAL 7 13.382 8.299 -11.269 53 1HG2 VAL 7 HG21 VAL 7 10.680 9.454 -8.957 54 2HG2 VAL 7 HG22 VAL 7 10.545 10.492 -10.377 55 3HG2 VAL 7 HG23 VAL 7 11.262 11.118 -8.891 56 H CYS 8 HN CYS 8 13.507 9.727 -6.276 57 HA CYS 8 HA CYS 8 14.364 12.540 -6.438 58 1HB CYS 8 HB2 CYS 8 12.371 11.355 -4.504 59 2HB CYS 8 HB1 CYS 8 13.022 12.985 -4.399 60 H HIS 9 HN HIS 9 14.474 9.489 -4.710 61 HA HIS 9 HA HIS 9 15.801 8.665 -3.064 62 1HB HIS 9 HB2 HIS 9 17.572 10.867 -4.101 63 2HB HIS 9 HB1 HIS 9 18.045 9.931 -2.687 64 HD1 HIS 9 HD1 HIS 9 20.070 8.956 -4.007 65 HD2 HIS 9 HD2 HIS 9 16.342 8.013 -5.604 66 HE1 HIS 9 HE1 HIS 9 20.481 7.092 -5.646 67 HE2 HIS 9 HE2 HIS 9 18.238 6.644 -6.711 68 H HIS 10 HN HIS 10 13.755 10.696 -2.602 69 HA HIS 10 HA HIS 10 14.659 11.650 0.023 70 1HB HIS 10 HB2 HIS 10 14.164 13.340 -2.086 71 2HB HIS 10 HB1 HIS 10 12.601 13.308 -1.274 72 HD1 HIS 10 HD1 HIS 10 12.412 15.243 0.270 73 HD2 HIS 10 HD2 HIS 10 16.287 13.741 0.108 74 HE1 HIS 10 HE1 HIS 10 13.746 16.617 1.906 75 HE2 HIS 10 HE2 HIS 10 16.014 15.515 1.973 76 H ALA 11 HN ALA 11 12.825 12.072 1.504 77 HA ALA 11 HA ALA 11 11.407 9.743 1.917 78 1HB ALA 11 HB1 ALA 11 10.257 10.941 3.696 79 2HB ALA 11 HB2 ALA 11 10.806 12.476 3.024 80 3HB ALA 11 HB3 ALA 11 11.978 11.328 3.668 81 H LEU 12 HN LEU 12 9.300 9.120 1.798 82 HA LEU 12 HA LEU 12 7.489 10.735 0.128 83 1HB LEU 12 HB2 LEU 12 7.748 7.772 0.526 84 2HB LEU 12 HB1 LEU 12 6.226 8.466 0.001 85 HG LEU 12 HG LEU 12 8.855 8.691 -1.456 86 1HD1 LEU 12 HD11 LEU 12 6.353 7.138 -2.104 87 2HD1 LEU 12 HD12 LEU 12 7.878 6.450 -1.545 88 3HD1 LEU 12 HD13 LEU 12 7.795 7.253 -3.114 89 1HD2 LEU 12 HD21 LEU 12 7.530 9.720 -3.234 90 2HD2 LEU 12 HD22 LEU 12 7.456 10.675 -1.752 91 3HD2 LEU 12 HD23 LEU 12 6.096 9.650 -2.210 92 H GLU 13 HN GLU 13 6.034 11.796 1.278 93 HA GLU 13 HA GLU 13 5.548 11.191 4.019 94 1HB GLU 13 HB2 GLU 13 4.082 13.116 2.208 95 2HB GLU 13 HB1 GLU 13 4.036 13.103 3.965 96 1HG GLU 13 HG2 GLU 13 6.482 13.622 2.290 97 2HG GLU 13 HG1 GLU 13 5.498 14.852 3.083 98 H ARG 14 HN ARG 14 4.428 9.470 4.562 99 HA ARG 14 HA ARG 14 2.423 8.324 2.863 100 1HB ARG 14 HB2 ARG 14 3.966 6.966 4.261 101 2HB ARG 14 HB1 ARG 14 3.182 7.602 5.701 102 1HG ARG 14 HG2 ARG 14 1.089 6.553 5.048 103 2HG ARG 14 HG1 ARG 14 1.837 5.957 3.563 104 1HD ARG 14 HD2 ARG 14 1.813 4.163 5.137 105 2HD ARG 14 HD1 ARG 14 3.477 4.716 4.981 106 HE ARG 14 HE ARG 14 1.702 5.202 7.280 107 1HH1 ARG 14 HH11 ARG 14 4.906 5.229 5.860 108 2HH1 ARG 14 HH12 ARG 14 5.714 5.470 7.378 109 1HH2 ARG 14 HH21 ARG 14 2.748 5.480 9.259 110 2HH2 ARG 14 HH22 ARG 14 4.487 5.584 9.327 111 H ASN 15 HN ASN 15 0.451 9.130 2.718 112 HA ASN 15 HA ASN 15 -0.782 10.355 5.097 113 1HB ASN 15 HB2 ASN 15 -1.305 10.635 2.143 114 2HB ASN 15 HB1 ASN 15 -2.531 11.085 3.319 115 1HD2 ASN 15 HD21 ASN 15 0.908 11.484 3.855 116 2HD2 ASN 15 HD22 ASN 15 0.901 13.214 3.832 117 H GLY 16 HN GLY 16 -0.482 7.424 4.212 118 1HA GLY 16 HA2 GLY 16 -1.796 5.639 5.014 119 2HA GLY 16 HA1 GLY 16 -3.203 6.693 4.978 120 H ASP 17 HN ASP 17 -4.163 7.176 2.933 121 HA ASP 17 HA ASP 17 -4.473 4.886 1.299 122 1HB ASP 17 HB2 ASP 17 -6.248 6.578 1.687 123 2HB ASP 17 HB1 ASP 17 -5.323 7.742 0.748 124 H THR 18 HN THR 18 -2.465 7.696 1.108 125 HA THR 18 HA THR 18 -1.165 6.627 -1.262 126 HB THR 18 HB THR 18 -2.825 8.177 -2.171 127 HG1 THR 18 HG1 THR 18 -0.951 9.846 -2.831 128 1HG2 THR 18 HG21 THR 18 -3.100 9.624 -0.211 129 2HG2 THR 18 HG22 THR 18 -2.755 10.566 -1.661 130 3HG2 THR 18 HG23 THR 18 -1.486 10.282 -0.470 131 H ALA 19 HN ALA 19 0.933 7.513 -1.622 132 HA ALA 19 HA ALA 19 2.093 8.908 0.699 133 1HB ALA 19 HB1 ALA 19 3.480 7.208 -1.376 134 2HB ALA 19 HB2 ALA 19 3.082 6.703 0.266 135 3HB ALA 19 HB3 ALA 19 4.248 8.000 -0.001 136 H HIS 20 HN HIS 20 2.426 10.986 0.351 137 HA HIS 20 HA HIS 20 2.368 11.952 -2.411 138 1HB HIS 20 HB2 HIS 20 0.719 12.819 -0.742 139 2HB HIS 20 HB1 HIS 20 2.060 13.508 0.164 140 HD1 HIS 20 HD1 HIS 20 0.147 13.913 -3.045 141 HD2 HIS 20 HD2 HIS 20 3.052 15.899 -0.816 142 HE1 HIS 20 HE1 HIS 20 0.350 16.206 -4.071 143 HE2 HIS 20 HE2 HIS 20 1.925 17.456 -2.545 144 H CYS 21 HN CYS 21 4.208 12.492 -3.360 145 HA CYS 21 HA CYS 21 6.615 12.844 -1.824 146 1HB CYS 21 HB2 CYS 21 6.471 11.744 -4.125 147 2HB CYS 21 HB1 CYS 21 6.276 13.366 -4.787 148 H GLU 22 HN GLU 22 7.780 14.687 -1.548 149 HA GLU 22 HA GLU 22 6.328 17.198 -1.792 150 1HB GLU 22 HB2 GLU 22 8.778 17.822 -0.723 151 2HB GLU 22 HB1 GLU 22 7.348 17.411 0.212 152 1HG GLU 22 HG2 GLU 22 9.179 16.145 1.056 153 2HG GLU 22 HG1 GLU 22 8.097 15.040 0.215 154 H THR 23 HN THR 23 9.103 15.550 -2.992 155 HA THR 23 HA THR 23 9.877 17.689 -4.823 156 HB THR 23 HB THR 23 11.656 15.958 -5.428 157 HG1 THR 23 HG1 THR 23 10.878 14.656 -3.011 158 1HG2 THR 23 HG21 THR 23 11.472 16.814 -2.529 159 2HG2 THR 23 HG22 THR 23 12.146 17.770 -3.849 160 3HG2 THR 23 HG23 THR 23 12.941 16.276 -3.346 161 H CYS 24 HN CYS 24 8.081 17.648 -6.271 162 HA CYS 24 HA CYS 24 7.049 16.991 -8.224 163 1HB CYS 24 HB2 CYS 24 7.147 14.859 -9.244 164 2HB CYS 24 HB1 CYS 24 8.771 15.139 -8.640 165 H ALA 25 HN ALA 25 4.947 17.017 -8.169 166 HA ALA 25 HA ALA 25 3.575 16.309 -5.750 167 1HB ALA 25 HB1 ALA 25 3.043 18.368 -6.961 168 2HB ALA 25 HB2 ALA 25 1.627 17.327 -6.820 169 3HB ALA 25 HB3 ALA 25 2.505 17.419 -8.347 170 H LYS 26 HN LYS 26 4.642 14.058 -6.911 171 HA LYS 26 HA LYS 26 2.513 12.676 -8.336 172 1HB LYS 26 HB2 LYS 26 4.875 12.489 -9.082 173 2HB LYS 26 HB1 LYS 26 5.281 11.746 -7.544 174 1HG LYS 26 HG2 LYS 26 3.866 9.855 -8.047 175 2HG LYS 26 HG1 LYS 26 3.356 10.616 -9.555 176 1HD LYS 26 HD2 LYS 26 5.617 10.519 -10.411 177 2HD LYS 26 HD1 LYS 26 6.194 9.863 -8.879 178 1HE LYS 26 HE2 LYS 26 5.917 8.140 -10.620 179 2HE LYS 26 HE1 LYS 26 4.911 7.852 -9.202 180 1HZ LYS 26 HZ1 LYS 26 3.010 8.682 -10.376 181 2HZ LYS 26 HZ2 LYS 26 3.741 7.481 -11.318 182 3HZ LYS 26 HZ3 LYS 26 3.954 9.115 -11.720 183 H ASP 27 HN ASP 27 1.089 11.438 -7.323 184 HA ASP 27 HA ASP 27 1.574 10.792 -4.501 185 1HB ASP 27 HB2 ASP 27 -0.943 11.027 -6.135 186 2HB ASP 27 HB1 ASP 27 -0.937 10.187 -4.587 187 H PHE 28 HN PHE 28 1.743 8.784 -3.790 188 HA PHE 28 HA PHE 28 1.624 6.629 -5.788 189 1HB PHE 28 HB2 PHE 28 3.238 6.836 -3.236 190 2HB PHE 28 HB1 PHE 28 3.224 5.441 -4.307 191 HD1 PHE 28 HD1 PHE 28 4.343 5.509 -6.451 192 HD2 PHE 28 HD2 PHE 28 4.376 8.873 -3.846 193 HE1 PHE 28 HE1 PHE 28 6.180 6.494 -7.755 194 HE2 PHE 28 HE2 PHE 28 6.211 9.866 -5.147 195 HZ PHE 28 HZ PHE 28 7.116 8.675 -7.103 196 H SER 29 HN SER 29 -0.390 5.775 -5.578 197 HA SER 29 HA SER 29 -1.872 5.497 -3.245 198 1HB SER 29 HB2 SER 29 -1.890 3.698 -5.681 199 2HB SER 29 HB1 SER 29 -3.169 3.812 -4.471 200 HG SER 29 HG SER 29 -3.438 6.001 -5.065 201 H LEU 30 HN LEU 30 -1.668 4.252 -1.514 202 HA LEU 30 HA LEU 30 0.350 2.123 -1.588 203 1HB LEU 30 HB2 LEU 30 -0.869 3.584 0.756 204 2HB LEU 30 HB1 LEU 30 0.337 2.317 0.877 205 HG LEU 30 HG LEU 30 0.745 4.996 -0.450 206 1HD1 LEU 30 HD11 LEU 30 2.216 5.461 1.439 207 2HD1 LEU 30 HD12 LEU 30 1.766 3.917 2.166 208 3HD1 LEU 30 HD13 LEU 30 0.554 5.182 1.964 209 1HD2 LEU 30 HD21 LEU 30 3.095 4.335 -0.561 210 2HD2 LEU 30 HD22 LEU 30 2.071 3.239 -1.488 211 3HD2 LEU 30 HD23 LEU 30 2.680 2.749 0.092 212 H GLN 31 HN GLN 31 -0.228 0.075 -1.413 213 HA GLN 31 HA GLN 31 -2.961 -0.502 -0.488 214 1HB GLN 31 HB2 GLN 31 -1.378 -1.992 -2.592 215 2HB GLN 31 HB1 GLN 31 -2.976 -2.441 -2.005 216 1HG GLN 31 HG2 GLN 31 -3.816 -0.244 -2.799 217 2HG GLN 31 HG1 GLN 31 -2.236 0.052 -3.517 218 1HE2 GLN 31 HE21 GLN 31 -4.853 -0.143 -4.756 219 2HE2 GLN 31 HE22 GLN 31 -4.735 -1.407 -5.934 220 H ALA 32 HN ALA 32 -3.132 -1.790 1.193 221 HA ALA 32 HA ALA 32 -0.723 -2.822 2.403 222 1HB ALA 32 HB1 ALA 32 -2.279 -3.384 4.292 223 2HB ALA 32 HB2 ALA 32 -3.581 -2.664 3.349 224 3HB ALA 32 HB3 ALA 32 -2.216 -1.678 3.860 225 H LEU 33 HN LEU 33 0.017 -4.761 1.925 226 HA LEU 33 HA LEU 33 -1.898 -6.927 1.348 227 1HB LEU 33 HB2 LEU 33 0.891 -6.423 0.337 228 2HB LEU 33 HB1 LEU 33 0.216 -8.038 0.336 229 HG LEU 33 HG LEU 33 -0.048 -7.145 -1.849 230 1HD1 LEU 33 HD11 LEU 33 -2.677 -7.019 -0.390 231 2HD1 LEU 33 HD12 LEU 33 -1.908 -8.466 -1.048 232 3HD1 LEU 33 HD13 LEU 33 -2.473 -7.194 -2.134 233 1HD2 LEU 33 HD21 LEU 33 -1.268 -5.078 -2.314 234 2HD2 LEU 33 HD22 LEU 33 0.182 -4.781 -1.356 235 3HD2 LEU 33 HD23 LEU 33 -1.403 -4.770 -0.583 236 H CYS 34 HN CYS 34 -1.181 -9.095 2.069 237 HA CYS 34 HA CYS 34 0.171 -8.920 4.662 238 1HB CYS 34 HB2 CYS 34 -1.591 -11.037 3.432 239 2HB CYS 34 HB1 CYS 34 -0.713 -11.279 4.939 240 HA PRO 35 HA PRO 35 3.802 -11.147 3.402 241 1HB PRO 35 HB2 PRO 35 3.333 -13.012 5.657 242 2HB PRO 35 HB1 PRO 35 4.738 -11.999 5.313 243 1HG PRO 35 HG2 PRO 35 3.044 -11.388 7.285 244 2HG PRO 35 HG1 PRO 35 3.798 -10.127 6.292 245 1HD PRO 35 HD2 PRO 35 1.018 -11.227 6.176 246 2HD PRO 35 HD1 PRO 35 1.580 -9.556 5.961 247 H ASP 36 HN ASP 36 0.964 -13.042 4.335 248 HA ASP 36 HA ASP 36 1.783 -15.210 2.541 249 1HB ASP 36 HB2 ASP 36 0.289 -16.615 3.664 250 2HB ASP 36 HB1 ASP 36 0.860 -15.562 4.954 251 H CYS 37 HN CYS 37 -0.478 -12.603 2.820 252 HA CYS 37 HA CYS 37 -2.075 -13.645 0.597 253 1HB CYS 37 HB2 CYS 37 -2.679 -11.223 2.304 254 2HB CYS 37 HB1 CYS 37 -3.774 -12.060 1.213 255 H ARG 38 HN ARG 38 -0.961 -13.149 -1.238 256 HA ARG 38 HA ARG 38 -0.030 -10.423 -1.679 257 1HB ARG 38 HB2 ARG 38 -0.104 -12.837 -3.503 258 2HB ARG 38 HB1 ARG 38 0.561 -11.272 -3.954 259 1HG ARG 38 HG2 ARG 38 1.560 -12.999 -1.700 260 2HG ARG 38 HG1 ARG 38 2.286 -12.890 -3.304 261 1HD ARG 38 HD2 ARG 38 2.625 -10.458 -2.927 262 2HD ARG 38 HD1 ARG 38 2.016 -10.665 -1.285 263 HE ARG 38 HE ARG 38 4.262 -12.354 -2.021 264 1HH1 ARG 38 HH11 ARG 38 3.213 -9.360 -0.533 265 2HH1 ARG 38 HH12 ARG 38 4.680 -9.144 0.369 266 1HH2 ARG 38 HH21 ARG 38 6.208 -12.053 -0.838 267 2HH2 ARG 38 HH22 ARG 38 6.368 -10.667 0.201 268 H GLN 39 HN GLN 39 -2.881 -11.970 -1.655 269 HA GLN 39 HA GLN 39 -4.117 -10.608 -3.896 270 1HB GLN 39 HB2 GLN 39 -5.272 -12.384 -1.741 271 2HB GLN 39 HB1 GLN 39 -6.194 -11.716 -3.080 272 1HG GLN 39 HG2 GLN 39 -4.896 -12.980 -4.663 273 2HG GLN 39 HG1 GLN 39 -3.838 -13.565 -3.380 274 1HE2 GLN 39 HE21 GLN 39 -7.277 -13.236 -2.937 275 2HE2 GLN 39 HE22 GLN 39 -7.632 -14.928 -2.885 276 HA PRO 40 HA PRO 40 -5.245 -6.900 -1.764 277 1HB PRO 40 HB2 PRO 40 -7.893 -7.364 -3.072 278 2HB PRO 40 HB1 PRO 40 -6.895 -5.904 -3.043 279 1HG PRO 40 HG2 PRO 40 -6.988 -7.426 -5.220 280 2HG PRO 40 HG1 PRO 40 -5.461 -6.695 -4.691 281 1HD PRO 40 HD2 PRO 40 -6.391 -9.520 -4.462 282 2HD PRO 40 HD1 PRO 40 -4.755 -8.888 -4.738 283 H LEU 41 HN LEU 41 -5.705 -6.878 0.326 284 HA LEU 41 HA LEU 41 -7.233 -8.912 1.590 285 1HB LEU 41 HB2 LEU 41 -6.522 -6.299 2.887 286 2HB LEU 41 HB1 LEU 41 -6.674 -7.879 3.624 287 HG LEU 41 HG LEU 41 -4.431 -6.946 1.831 288 1HD1 LEU 41 HD11 LEU 41 -3.067 -7.236 3.848 289 2HD1 LEU 41 HD12 LEU 41 -4.523 -7.626 4.764 290 3HD1 LEU 41 HD13 LEU 41 -4.326 -6.019 4.063 291 1HD2 LEU 41 HD21 LEU 41 -3.378 -9.118 2.388 292 2HD2 LEU 41 HD22 LEU 41 -4.825 -9.285 1.390 293 3HD2 LEU 41 HD23 LEU 41 -4.898 -9.634 3.121 294 H GLN 42 HN GLN 42 -8.808 -7.713 3.488 295 HA GLN 42 HA GLN 42 -11.099 -7.118 1.873 296 1HB GLN 42 HB2 GLN 42 -11.271 -8.496 3.922 297 2HB GLN 42 HB1 GLN 42 -10.829 -7.093 4.885 298 1HG GLN 42 HG2 GLN 42 -13.232 -7.491 4.921 299 2HG GLN 42 HG1 GLN 42 -12.844 -5.940 4.177 300 1HE2 GLN 42 HE21 GLN 42 -14.041 -9.156 3.655 301 2HE2 GLN 42 HE22 GLN 42 -14.673 -8.888 2.070 302 H VAL 43 HN VAL 43 -12.027 -5.206 1.504 303 HA VAL 43 HA VAL 43 -10.414 -2.876 1.956 304 HB VAL 43 HB VAL 43 -13.140 -3.131 0.665 305 1HG1 VAL 43 HG11 VAL 43 -12.681 -0.935 -0.307 306 2HG1 VAL 43 HG12 VAL 43 -11.177 -0.840 0.609 307 3HG1 VAL 43 HG13 VAL 43 -12.726 -0.861 1.454 308 1HG2 VAL 43 HG21 VAL 43 -11.421 -4.399 -0.514 309 2HG2 VAL 43 HG22 VAL 43 -10.392 -2.968 -0.567 310 3HG2 VAL 43 HG23 VAL 43 -11.916 -2.989 -1.453 311 H LEU 44 HN LEU 44 -10.401 -2.127 3.978 312 HA LEU 44 HA LEU 44 -12.980 -1.627 5.291 313 1HB LEU 44 HB2 LEU 44 -10.187 -1.580 6.445 314 2HB LEU 44 HB1 LEU 44 -11.665 -1.300 7.344 315 HG LEU 44 HG LEU 44 -10.720 -3.900 6.120 316 1HD1 LEU 44 HD11 LEU 44 -11.450 -3.162 8.955 317 2HD1 LEU 44 HD12 LEU 44 -9.805 -3.224 8.323 318 3HD1 LEU 44 HD13 LEU 44 -10.778 -4.694 8.394 319 1HD2 LEU 44 HD21 LEU 44 -13.392 -3.272 7.378 320 2HD2 LEU 44 HD22 LEU 44 -12.815 -4.879 6.935 321 3HD2 LEU 44 HD23 LEU 44 -13.104 -3.669 5.684 322 H LYS 45 HN LYS 45 -13.302 0.476 6.278 323 HA LYS 45 HA LYS 45 -11.996 2.546 4.647 324 1HB LYS 45 HB2 LYS 45 -14.724 2.566 5.945 325 2HB LYS 45 HB1 LYS 45 -14.041 3.876 4.989 326 1HG LYS 45 HG2 LYS 45 -13.963 2.411 3.037 327 2HG LYS 45 HG1 LYS 45 -14.654 1.101 3.996 328 1HD LYS 45 HD2 LYS 45 -16.656 2.499 4.396 329 2HD LYS 45 HD1 LYS 45 -15.965 3.739 3.345 330 1HE LYS 45 HE2 LYS 45 -17.542 2.424 2.084 331 2HE LYS 45 HE1 LYS 45 -15.913 2.095 1.501 332 1HZ LYS 45 HZ1 LYS 45 -17.587 0.371 3.240 333 2HZ LYS 45 HZ2 LYS 45 -15.938 0.095 2.987 334 3HZ LYS 45 HZ3 LYS 45 -17.017 0.026 1.679 335 H ALA 46 HN ALA 46 -10.700 3.895 5.620 336 HA ALA 46 HA ALA 46 -11.194 4.566 8.448 337 1HB ALA 46 HB1 ALA 46 -8.562 4.643 6.971 338 2HB ALA 46 HB2 ALA 46 -9.060 3.390 8.108 339 3HB ALA 46 HB3 ALA 46 -8.817 5.045 8.669 340 H CYS 47 HN CYS 47 -12.462 6.325 8.213 341 HA CYS 47 HA CYS 47 -13.181 8.404 7.709 342 1HB CYS 47 HB2 CYS 47 -10.298 8.937 6.950 343 2HB CYS 47 HB1 CYS 47 -11.536 10.162 7.208 344 HG CYS 47 HG CYS 47 -9.723 8.427 9.445 345 H GLY 48 HN GLY 48 -10.704 8.570 5.209 346 1HA GLY 48 HA2 GLY 48 -12.732 7.891 3.183 347 2HA GLY 48 HA1 GLY 48 -11.766 9.353 3.021 348 H ALA 49 HN ALA 49 -9.967 6.986 4.500 349 HA ALA 49 HA ALA 49 -8.505 6.468 2.015 350 1HB ALA 49 HB1 ALA 49 -7.679 6.003 4.880 351 2HB ALA 49 HB2 ALA 49 -7.254 7.411 3.905 352 3HB ALA 49 HB3 ALA 49 -6.657 5.814 3.455 353 H VAL 50 HN VAL 50 -7.998 4.395 1.331 354 HA VAL 50 HA VAL 50 -9.831 2.331 2.271 355 HB VAL 50 HB VAL 50 -7.940 2.326 -0.095 356 1HG1 VAL 50 HG11 VAL 50 -8.394 0.068 0.688 357 2HG1 VAL 50 HG12 VAL 50 -9.214 0.368 -0.843 358 3HG1 VAL 50 HG13 VAL 50 -10.128 0.391 0.665 359 1HG2 VAL 50 HG21 VAL 50 -9.723 3.983 -0.312 360 2HG2 VAL 50 HG22 VAL 50 -10.928 2.740 0.026 361 3HG2 VAL 50 HG23 VAL 50 -9.954 2.649 -1.442 362 H ASP 51 HN ASP 51 -9.193 1.072 3.869 363 HA ASP 51 HA ASP 51 -6.330 0.451 4.156 364 1HB ASP 51 HB2 ASP 51 -7.419 1.571 6.080 365 2HB ASP 51 HB1 ASP 51 -8.559 0.235 6.192 366 H TYR 52 HN TYR 52 -5.740 -1.508 3.487 367 HA TYR 52 HA TYR 52 -7.766 -3.552 3.116 368 1HB TYR 52 HB2 TYR 52 -4.832 -3.556 2.387 369 2HB TYR 52 HB1 TYR 52 -5.969 -4.828 1.987 370 HD1 TYR 52 HD1 TYR 52 -4.975 -1.357 1.282 371 HD2 TYR 52 HD2 TYR 52 -7.536 -4.572 0.183 372 HE1 TYR 52 HE1 TYR 52 -5.543 -0.184 -0.802 373 HE2 TYR 52 HE2 TYR 52 -8.113 -3.407 -1.905 374 HH TYR 52 HH TYR 52 -8.107 -1.242 -2.869 375 H PHE 53 HN PHE 53 -8.243 -4.863 4.666 376 HA PHE 53 HA PHE 53 -6.227 -5.983 6.470 377 1HB PHE 53 HB2 PHE 53 -7.104 -3.722 7.335 378 2HB PHE 53 HB1 PHE 53 -8.643 -4.534 7.551 379 HD1 PHE 53 HD2 PHE 53 -5.143 -4.366 8.687 380 HD2 PHE 53 HD1 PHE 53 -9.022 -5.989 9.381 381 HE1 PHE 53 HE2 PHE 53 -4.449 -5.068 10.935 382 HE2 PHE 53 HE1 PHE 53 -8.329 -6.684 11.635 383 HZ PHE 53 HZ PHE 53 -6.039 -6.222 12.413 384 H CYS 54 HN CYS 54 -6.709 -8.069 5.879 385 HA CYS 54 HA CYS 54 -9.400 -8.754 5.140 386 1HB CYS 54 HB2 CYS 54 -8.322 -11.065 4.785 387 2HB CYS 54 HB1 CYS 54 -7.812 -9.737 3.749 388 H GLN 55 HN GLN 55 -10.540 -8.520 7.066 389 HA GLN 55 HA GLN 55 -10.078 -10.106 9.373 390 1HB GLN 55 HB2 GLN 55 -12.672 -8.933 8.346 391 2HB GLN 55 HB1 GLN 55 -12.388 -9.520 9.976 392 1HG GLN 55 HG2 GLN 55 -10.639 -7.369 8.897 393 2HG GLN 55 HG1 GLN 55 -12.274 -6.966 9.407 394 1HE2 GLN 55 HE21 GLN 55 -10.407 -9.481 10.961 395 2HE2 GLN 55 HE22 GLN 55 -10.161 -8.636 12.444 396 H ASN 56 HN ASN 56 -11.427 -10.701 6.285 397 HA ASN 56 HA ASN 56 -12.388 -13.349 7.122 398 1HB ASN 56 HB2 ASN 56 -14.166 -12.200 6.039 399 2HB ASN 56 HB1 ASN 56 -13.106 -11.591 4.774 400 1HD2 ASN 56 HD21 ASN 56 -14.890 -14.339 5.945 401 2HD2 ASN 56 HD22 ASN 56 -14.766 -15.281 4.497 402 H GLY 57 HN GLY 57 -11.199 -15.055 6.582 403 1HA GLY 57 HA2 GLY 57 -9.986 -16.445 5.145 404 2HA GLY 57 HA1 GLY 57 -9.761 -15.088 4.049 405 H HIS 58 HN HIS 58 -9.079 -14.439 7.319 406 HA HIS 58 HA HIS 58 -6.375 -15.275 7.420 407 1HB HIS 58 HB2 HIS 58 -6.153 -13.536 5.670 408 2HB HIS 58 HB1 HIS 58 -6.823 -12.347 6.780 409 HD2 HIS 58 HD2 HIS 58 -5.083 -11.829 9.064 410 HE1 HIS 58 HE1 HIS 58 -1.620 -13.125 6.992 411 HE2 HIS 58 HE2 HIS 58 -2.512 -12.084 9.100 412 H GLY 59 HN GLY 59 -7.954 -12.221 8.376 413 1HA GLY 59 HA2 GLY 59 -9.021 -12.422 10.705 414 2HA GLY 59 HA1 GLY 59 -7.414 -12.957 11.179 415 H LEU 60 HN LEU 60 -5.778 -11.470 11.426 416 HA LEU 60 HA LEU 60 -6.225 -8.702 10.692 417 1HB LEU 60 HB2 LEU 60 -5.915 -7.926 13.072 418 2HB LEU 60 HB1 LEU 60 -7.461 -8.664 12.716 419 HG LEU 60 HG LEU 60 -6.336 -10.824 13.688 420 1HD1 LEU 60 HD11 LEU 60 -4.095 -9.931 13.919 421 2HD1 LEU 60 HD12 LEU 60 -4.765 -10.328 15.501 422 3HD1 LEU 60 HD13 LEU 60 -4.695 -8.649 14.971 423 1HD2 LEU 60 HD21 LEU 60 -7.252 -8.520 15.400 424 2HD2 LEU 60 HD22 LEU 60 -7.165 -10.206 15.912 425 3HD2 LEU 60 HD23 LEU 60 -8.282 -9.730 14.632 426 H ILE 61 HN ILE 61 -4.367 -7.427 10.842 427 HA ILE 61 HA ILE 61 -1.873 -8.881 11.421 428 HB ILE 61 HB ILE 61 -2.104 -6.898 9.158 429 1HG1 ILE 61 HG12 ILE 61 -1.914 -9.100 7.730 430 2HG1 ILE 61 HG11 ILE 61 -2.683 -9.838 9.130 431 1HG2 ILE 61 HG21 ILE 61 0.125 -7.302 10.034 432 2HG2 ILE 61 HG22 ILE 61 -0.030 -7.941 8.397 433 3HG2 ILE 61 HG23 ILE 61 -0.075 -9.037 9.778 434 1HD1 ILE 61 HD11 ILE 61 -4.560 -8.295 8.912 435 2HD1 ILE 61 HD12 ILE 61 -4.318 -9.238 7.441 436 3HD1 ILE 61 HD13 ILE 61 -3.789 -7.558 7.508 437 H SER 62 HN SER 62 -0.369 -7.708 12.558 438 HA SER 62 HA SER 62 -0.993 -5.229 13.725 439 1HB SER 62 HB2 SER 62 0.708 -6.757 14.666 440 2HB SER 62 HB1 SER 62 1.736 -6.475 13.263 441 HG SER 62 HG SER 62 1.093 -4.751 15.392 442 H LYS 63 HN LYS 63 -0.856 -3.196 12.943 443 HA LYS 63 HA LYS 63 -0.565 -2.870 10.153 444 1HB LYS 63 HB2 LYS 63 -1.024 -0.989 12.434 445 2HB LYS 63 HB1 LYS 63 -0.669 -0.352 10.832 446 1HG LYS 63 HG2 LYS 63 -2.926 -2.232 11.504 447 2HG LYS 63 HG1 LYS 63 -3.070 -0.491 11.237 448 1HD LYS 63 HD2 LYS 63 -2.375 -0.715 8.959 449 2HD LYS 63 HD1 LYS 63 -1.961 -2.413 9.198 450 1HE LYS 63 HE2 LYS 63 -4.069 -2.176 8.003 451 2HE LYS 63 HE1 LYS 63 -4.307 -2.941 9.572 452 1HZ LYS 63 HZ1 LYS 63 -4.686 -0.037 9.194 453 2HZ LYS 63 HZ2 LYS 63 -5.284 -1.027 10.439 454 3HZ LYS 63 HZ3 LYS 63 -5.929 -1.139 8.869 455 H LYS 64 HN LYS 64 1.805 -2.964 12.554 456 HA LYS 64 HA LYS 64 3.675 -1.235 11.167 457 1HB LYS 64 HB2 LYS 64 3.714 -1.469 13.643 458 2HB LYS 64 HB1 LYS 64 4.175 -3.155 13.452 459 1HG LYS 64 HG2 LYS 64 6.207 -2.373 12.224 460 2HG LYS 64 HG1 LYS 64 5.758 -0.725 12.657 461 1HD LYS 64 HD2 LYS 64 6.325 -2.958 14.606 462 2HD LYS 64 HD1 LYS 64 7.436 -1.653 14.187 463 1HE LYS 64 HE2 LYS 64 4.732 -1.338 15.494 464 2HE LYS 64 HE1 LYS 64 6.294 -1.214 16.305 465 1HZ LYS 64 HZ1 LYS 64 5.257 0.588 14.182 466 2HZ LYS 64 HZ2 LYS 64 6.817 0.675 14.838 467 3HZ LYS 64 HZ3 LYS 64 5.464 0.964 15.823 468 H ARG 65 HN ARG 65 2.658 -4.489 11.056 469 HA ARG 65 HA ARG 65 5.124 -5.299 9.661 470 1HB ARG 65 HB2 ARG 65 3.106 -6.984 11.154 471 2HB ARG 65 HB1 ARG 65 4.473 -7.626 10.252 472 1HG ARG 65 HG2 ARG 65 6.008 -6.438 11.742 473 2HG ARG 65 HG1 ARG 65 4.630 -5.814 12.652 474 1HD ARG 65 HD2 ARG 65 5.626 -7.758 13.751 475 2HD ARG 65 HD1 ARG 65 3.970 -8.080 13.239 476 HE ARG 65 HE ARG 65 5.927 -8.891 11.297 477 1HH1 ARG 65 HH11 ARG 65 4.234 -9.831 14.215 478 2HH1 ARG 65 HH12 ARG 65 4.458 -11.535 13.946 479 1HH2 ARG 65 HH21 ARG 65 6.206 -11.119 10.926 480 2HH2 ARG 65 HH22 ARG 65 5.556 -12.273 12.056 481 H VAL 66 HN VAL 66 2.351 -4.091 8.852 482 HA VAL 66 HA VAL 66 1.344 -6.035 6.990 483 HB VAL 66 HB VAL 66 0.764 -3.072 7.247 484 1HG1 VAL 66 HG11 VAL 66 0.343 -3.884 4.970 485 2HG1 VAL 66 HG12 VAL 66 -1.155 -3.481 5.810 486 3HG1 VAL 66 HG13 VAL 66 -0.678 -5.168 5.622 487 1HG2 VAL 66 HG21 VAL 66 -1.336 -3.803 8.261 488 2HG2 VAL 66 HG22 VAL 66 0.054 -4.386 9.179 489 3HG2 VAL 66 HG23 VAL 66 -0.824 -5.486 8.117 490 H ASN 67 HN ASN 67 1.765 -6.180 4.828 491 HA ASN 67 HA ASN 67 4.150 -4.794 3.914 492 1HB ASN 67 HB2 ASN 67 3.810 -7.285 3.621 493 2HB ASN 67 HB1 ASN 67 2.553 -6.906 2.450 494 1HD2 ASN 67 HD21 ASN 67 3.125 -6.076 0.450 495 2HD2 ASN 67 HD22 ASN 67 4.754 -6.120 -0.145 496 H PHE 68 HN PHE 68 2.702 -2.789 4.037 497 HA PHE 68 HA PHE 68 1.037 -2.420 1.703 498 1HB PHE 68 HB2 PHE 68 1.020 0.027 2.567 499 2HB PHE 68 HB1 PHE 68 0.162 -1.201 3.485 500 HD1 PHE 68 HD2 PHE 68 3.159 0.942 3.401 501 HD2 PHE 68 HD1 PHE 68 0.825 -1.783 5.689 502 HE1 PHE 68 HE2 PHE 68 4.396 1.585 5.428 503 HE2 PHE 68 HE1 PHE 68 2.054 -1.139 7.718 504 HZ PHE 68 HZ PHE 68 3.842 0.543 7.591 505 H VAL 69 HN VAL 69 1.771 -1.895 -0.201 506 HA VAL 69 HA VAL 69 4.392 -0.567 -0.390 507 HB VAL 69 HB VAL 69 4.798 -1.867 -2.479 508 1HG1 VAL 69 HG11 VAL 69 5.423 -3.960 -1.355 509 2HG1 VAL 69 HG12 VAL 69 4.434 -3.503 0.032 510 3HG1 VAL 69 HG13 VAL 69 5.851 -2.543 -0.396 511 1HG2 VAL 69 HG21 VAL 69 2.393 -3.441 -1.561 512 2HG2 VAL 69 HG22 VAL 69 3.495 -3.926 -2.849 513 3HG2 VAL 69 HG23 VAL 69 2.511 -2.473 -3.030 514 H ILE 70 HN ILE 70 4.724 0.200 -2.760 515 HA ILE 70 HA ILE 70 2.562 2.033 -3.300 516 HB ILE 70 HB ILE 70 5.247 1.680 -4.633 517 1HG1 ILE 70 HG12 ILE 70 4.237 3.822 -2.752 518 2HG1 ILE 70 HG11 ILE 70 5.313 2.505 -2.303 519 1HG2 ILE 70 HG21 ILE 70 3.722 2.585 -6.248 520 2HG2 ILE 70 HG22 ILE 70 4.785 3.875 -5.686 521 3HG2 ILE 70 HG23 ILE 70 3.131 3.770 -5.087 522 1HD1 ILE 70 HD11 ILE 70 5.925 4.694 -4.271 523 2HD1 ILE 70 HD12 ILE 70 7.003 3.364 -3.844 524 3HD1 ILE 70 HD13 ILE 70 6.548 4.559 -2.627 525 H SER 71 HN SER 71 0.892 1.364 -4.426 526 HA SER 71 HA SER 71 1.372 0.089 -7.014 527 1HB SER 71 HB2 SER 71 0.731 -1.698 -5.383 528 2HB SER 71 HB1 SER 71 -0.772 -0.832 -5.074 529 HG SER 71 HG SER 71 -1.484 -1.993 -6.669 530 H ASP 72 HN ASP 72 1.051 2.198 -7.799 531 HA ASP 72 HA ASP 72 -1.474 3.515 -7.174 532 1HB ASP 72 HB2 ASP 72 -0.491 5.485 -8.212 533 2HB ASP 72 HB1 ASP 72 0.628 4.806 -7.038 534 H GLN 73 HN GLN 73 -0.128 1.574 -9.624 535 HA GLN 73 HA GLN 73 -2.260 2.432 -11.455 536 1HB GLN 73 HB2 GLN 73 0.565 1.635 -12.143 537 2HB GLN 73 HB1 GLN 73 -0.728 1.713 -13.333 538 1HG GLN 73 HG2 GLN 73 0.260 4.007 -11.650 539 2HG GLN 73 HG1 GLN 73 0.637 3.728 -13.351 540 1HE2 GLN 73 HE21 GLN 73 -0.690 5.982 -12.045 541 2HE2 GLN 73 HE22 GLN 73 -2.233 6.144 -12.809 542 H LEU 74 HN LEU 74 -3.647 0.820 -10.711 543 HA LEU 74 HA LEU 74 -2.927 -1.940 -11.289 544 1HB LEU 74 HB2 LEU 74 -5.521 -0.695 -10.361 545 2HB LEU 74 HB1 LEU 74 -5.294 -2.410 -10.634 546 HG LEU 74 HG LEU 74 -3.896 -0.740 -8.544 547 1HD1 LEU 74 HD11 LEU 74 -6.233 -1.189 -8.040 548 2HD1 LEU 74 HD12 LEU 74 -5.174 -2.113 -6.975 549 3HD1 LEU 74 HD13 LEU 74 -5.977 -2.910 -8.329 550 1HD2 LEU 74 HD21 LEU 74 -2.435 -2.502 -9.417 551 2HD2 LEU 74 HD22 LEU 74 -3.693 -3.698 -9.109 552 3HD2 LEU 74 HD23 LEU 74 -2.941 -2.841 -7.763 553 H GLU 75 HN GLU 75 -5.131 -2.994 -12.414 554 HA GLU 75 HA GLU 75 -4.966 -2.276 -15.133 555 1HB GLU 75 HB2 GLU 75 -7.242 -3.754 -13.800 556 2HB GLU 75 HB1 GLU 75 -6.775 -3.832 -15.493 557 1HG GLU 75 HG2 GLU 75 -4.726 -4.965 -14.917 558 2HG GLU 75 HG1 GLU 75 -5.079 -4.790 -13.198 559 H HIS 76 HN HIS 76 -7.114 -1.371 -12.524 560 HA HIS 76 HA HIS 76 -8.540 0.373 -12.244 561 1HB HIS 76 HB2 HIS 76 -7.184 1.252 -14.770 562 2HB HIS 76 HB1 HIS 76 -8.593 2.127 -14.185 563 HD1 HIS 76 HD1 HIS 76 -4.971 1.645 -13.582 564 HD2 HIS 76 HD2 HIS 76 -8.202 3.478 -11.711 565 HE1 HIS 76 HE1 HIS 76 -3.975 3.195 -11.864 566 HE2 HIS 76 HE2 HIS 76 -5.948 4.343 -10.788 567 H HIS 77 HN HIS 77 -9.008 -2.083 -14.121 568 HA HIS 77 HA HIS 77 -10.586 -2.945 -15.499 569 1HB HIS 77 HB2 HIS 77 -11.943 -2.654 -13.461 570 2HB HIS 77 HB1 HIS 77 -12.379 -1.030 -13.981 571 HD1 HIS 77 HD1 HIS 77 -14.565 -0.891 -15.116 572 HD2 HIS 77 HD2 HIS 77 -12.856 -4.662 -15.517 573 HE1 HIS 77 HE1 HIS 77 -16.250 -2.268 -16.377 574 HE2 HIS 77 HE2 HIS 77 -15.242 -4.573 -16.521 575 H HIS 78 HN HIS 78 -9.531 -1.983 -17.327 576 HA HIS 78 HA HIS 78 -10.224 0.605 -18.265 577 1HB HIS 78 HB2 HIS 78 -8.857 -1.730 -19.588 578 2HB HIS 78 HB1 HIS 78 -9.201 -0.238 -20.458 579 HD1 HIS 78 HD1 HIS 78 -6.293 -1.251 -19.930 580 HD2 HIS 78 HD2 HIS 78 -8.323 1.551 -17.617 581 HE1 HIS 78 HE1 HIS 78 -4.513 0.100 -18.769 582 HE2 HIS 78 HE2 HIS 78 -5.766 1.647 -17.228 583 H HIS 79 HN HIS 79 -12.363 0.878 -18.435 584 HA HIS 79 HA HIS 79 -13.908 -0.971 -20.078 585 1HB HIS 79 HB2 HIS 79 -15.893 0.138 -19.196 586 2HB HIS 79 HB1 HIS 79 -14.839 -0.341 -17.871 587 HD1 HIS 79 HD1 HIS 79 -16.493 2.586 -19.393 588 HD2 HIS 79 HD2 HIS 79 -13.483 1.871 -16.612 589 HE1 HIS 79 HE1 HIS 79 -16.153 4.760 -18.187 590 HE2 HIS 79 HE2 HIS 79 -14.234 4.347 -16.606 591 H HIS 80 HN HIS 80 -14.151 -0.549 -22.156 592 HA HIS 80 HA HIS 80 -13.849 2.173 -23.133 593 1HB HIS 80 HB2 HIS 80 -14.258 -0.483 -24.513 594 2HB HIS 80 HB1 HIS 80 -14.327 1.046 -25.383 595 HD1 HIS 80 HD1 HIS 80 -12.223 0.559 -26.773 596 HD2 HIS 80 HD2 HIS 80 -11.572 0.486 -22.665 597 HE1 HIS 80 HE1 HIS 80 -9.727 0.563 -26.479 598 HE2 HIS 80 HE2 HIS 80 -9.359 0.706 -23.988 599 H HIS 81 HN HIS 81 -15.486 3.503 -23.309 600 HA HIS 81 HA HIS 81 -17.574 4.371 -23.182 601 1HB HIS 81 HB2 HIS 81 -18.378 1.667 -24.271 602 2HB HIS 81 HB1 HIS 81 -19.515 2.978 -23.992 603 HD1 HIS 81 HD1 HIS 81 -19.817 4.603 -25.847 604 HD2 HIS 81 HD2 HIS 81 -16.361 2.333 -26.287 605 HE1 HIS 81 HE1 HIS 81 -18.913 5.180 -28.121 606 HE2 HIS 81 HE2 HIS 81 -16.885 3.717 -28.416 Start of MODEL 4 1 1H MET 1 HT1 MET 1 11.141 -1.318 5.742 2 2H MET 1 HT2 MET 1 9.793 -0.290 5.676 3 3H MET 1 HT3 MET 1 11.103 0.092 6.679 4 HA MET 1 HA MET 1 12.520 0.530 4.878 5 1HB MET 1 HB2 MET 1 10.237 -0.448 3.147 6 2HB MET 1 HB1 MET 1 11.678 0.350 2.532 7 1HG MET 1 HG2 MET 1 13.045 -1.470 3.486 8 2HG MET 1 HG1 MET 1 11.563 -2.282 3.983 9 1HE MET 1 HE1 MET 1 12.732 -4.543 1.036 10 2HE MET 1 HE2 MET 1 12.246 -4.475 2.730 11 3HE MET 1 HE3 MET 1 13.762 -3.735 2.217 12 H GLU 2 HN GLU 2 12.696 2.643 4.443 13 HA GLU 2 HA GLU 2 10.443 4.323 5.108 14 1HB GLU 2 HB2 GLU 2 12.721 4.813 5.923 15 2HB GLU 2 HB1 GLU 2 13.252 5.061 4.267 16 1HG GLU 2 HG2 GLU 2 12.024 7.037 4.049 17 2HG GLU 2 HG1 GLU 2 11.032 6.677 5.463 18 H ILE 3 HN ILE 3 9.306 5.634 3.764 19 HA ILE 3 HA ILE 3 9.023 4.737 1.090 20 HB ILE 3 HB ILE 3 7.827 7.261 2.233 21 1HG1 ILE 3 HG12 ILE 3 6.748 4.433 2.424 22 2HG1 ILE 3 HG11 ILE 3 7.454 5.331 3.763 23 1HG2 ILE 3 HG21 ILE 3 7.573 6.949 -0.173 24 2HG2 ILE 3 HG22 ILE 3 6.021 6.785 0.649 25 3HG2 ILE 3 HG23 ILE 3 6.884 5.348 0.097 26 1HD1 ILE 3 HD11 ILE 3 4.963 6.086 2.255 27 2HD1 ILE 3 HD12 ILE 3 5.667 6.981 3.603 28 3HD1 ILE 3 HD13 ILE 3 5.029 5.357 3.858 29 H THR 4 HN THR 4 10.447 5.201 -0.434 30 HA THR 4 HA THR 4 11.324 7.984 -0.756 31 HB THR 4 HB THR 4 13.494 6.881 -1.701 32 HG1 THR 4 HG1 THR 4 12.695 4.874 0.166 33 1HG2 THR 4 HG21 THR 4 13.419 8.319 0.288 34 2HG2 THR 4 HG22 THR 4 14.546 6.979 0.505 35 3HG2 THR 4 HG23 THR 4 12.960 6.930 1.273 36 H CYS 5 HN CYS 5 11.489 8.707 -2.870 37 HA CYS 5 HA CYS 5 10.010 7.209 -4.837 38 1HB CYS 5 HB2 CYS 5 9.814 9.689 -4.564 39 2HB CYS 5 HB1 CYS 5 11.460 9.847 -5.161 40 HA PRO 6 HA PRO 6 13.486 5.118 -6.525 41 1HB PRO 6 HB2 PRO 6 12.430 4.344 -8.898 42 2HB PRO 6 HB1 PRO 6 11.966 3.619 -7.354 43 1HG PRO 6 HG2 PRO 6 10.565 5.729 -8.954 44 2HG PRO 6 HG1 PRO 6 9.884 4.315 -8.129 45 1HD PRO 6 HD2 PRO 6 9.790 6.802 -7.067 46 2HD PRO 6 HD1 PRO 6 9.919 5.341 -6.067 47 H VAL 7 HN VAL 7 12.399 8.051 -7.796 48 HA VAL 7 HA VAL 7 14.612 8.066 -9.731 49 HB VAL 7 HB VAL 7 12.533 8.313 -10.936 50 1HG1 VAL 7 HG11 VAL 7 11.956 10.685 -9.170 51 2HG1 VAL 7 HG12 VAL 7 11.095 9.146 -9.167 52 3HG1 VAL 7 HG13 VAL 7 11.018 10.199 -10.580 53 1HG2 VAL 7 HG21 VAL 7 14.423 9.562 -11.779 54 2HG2 VAL 7 HG22 VAL 7 14.023 10.925 -10.733 55 3HG2 VAL 7 HG23 VAL 7 12.937 10.474 -12.048 56 H CYS 8 HN CYS 8 12.752 10.175 -7.532 57 HA CYS 8 HA CYS 8 15.228 11.680 -7.097 58 1HB CYS 8 HB2 CYS 8 13.787 13.407 -6.048 59 2HB CYS 8 HB1 CYS 8 13.373 13.105 -7.730 60 H HIS 9 HN HIS 9 16.297 10.395 -5.693 61 HA HIS 9 HA HIS 9 15.209 8.979 -3.545 62 1HB HIS 9 HB2 HIS 9 17.455 8.559 -4.496 63 2HB HIS 9 HB1 HIS 9 18.023 10.066 -3.791 64 HD1 HIS 9 HD1 HIS 9 16.643 6.705 -2.694 65 HD2 HIS 9 HD2 HIS 9 18.984 9.823 -1.247 66 HE1 HIS 9 HE1 HIS 9 17.528 5.915 -0.475 67 HE2 HIS 9 HE2 HIS 9 18.771 7.896 0.469 68 H HIS 10 HN HIS 10 13.769 10.323 -2.491 69 HA HIS 10 HA HIS 10 14.965 11.845 -0.313 70 1HB HIS 10 HB2 HIS 10 12.675 12.941 -1.978 71 2HB HIS 10 HB1 HIS 10 13.330 13.670 -0.521 72 HD1 HIS 10 HD1 HIS 10 14.056 13.175 -4.154 73 HD2 HIS 10 HD2 HIS 10 15.601 15.222 -0.898 74 HE1 HIS 10 HE1 HIS 10 15.761 14.754 -5.106 75 HE2 HIS 10 HE2 HIS 10 16.517 16.130 -3.140 76 H ALA 11 HN ALA 11 13.518 11.944 1.525 77 HA ALA 11 HA ALA 11 11.721 9.742 1.760 78 1HB ALA 11 HB1 ALA 11 12.034 12.156 3.549 79 2HB ALA 11 HB2 ALA 11 12.925 10.641 3.695 80 3HB ALA 11 HB3 ALA 11 11.181 10.668 3.959 81 H LEU 12 HN LEU 12 9.563 9.645 1.421 82 HA LEU 12 HA LEU 12 8.392 11.933 0.067 83 1HB LEU 12 HB2 LEU 12 7.287 9.152 0.443 84 2HB LEU 12 HB1 LEU 12 6.603 10.400 -0.583 85 HG LEU 12 HG LEU 12 9.177 8.890 -0.977 86 1HD1 LEU 12 HD11 LEU 12 6.723 9.240 -2.688 87 2HD1 LEU 12 HD12 LEU 12 7.159 7.797 -1.772 88 3HD1 LEU 12 HD13 LEU 12 8.164 8.320 -3.124 89 1HD2 LEU 12 HD21 LEU 12 8.215 11.264 -2.559 90 2HD2 LEU 12 HD22 LEU 12 9.673 10.316 -2.846 91 3HD2 LEU 12 HD23 LEU 12 9.534 11.298 -1.391 92 H GLU 13 HN GLU 13 6.244 12.655 0.501 93 HA GLU 13 HA GLU 13 5.821 12.949 3.366 94 1HB GLU 13 HB2 GLU 13 4.456 14.316 1.036 95 2HB GLU 13 HB1 GLU 13 4.330 14.775 2.729 96 1HG GLU 13 HG2 GLU 13 6.579 15.501 2.794 97 2HG GLU 13 HG1 GLU 13 6.932 14.768 1.230 98 H ARG 14 HN ARG 14 4.782 11.087 4.056 99 HA ARG 14 HA ARG 14 2.659 9.913 2.552 100 1HB ARG 14 HB2 ARG 14 4.034 8.567 4.097 101 2HB ARG 14 HB1 ARG 14 3.382 9.477 5.457 102 1HG ARG 14 HG2 ARG 14 1.110 8.703 4.801 103 2HG ARG 14 HG1 ARG 14 1.867 7.669 3.591 104 1HD ARG 14 HD2 ARG 14 3.004 6.414 5.283 105 2HD ARG 14 HD1 ARG 14 2.479 7.541 6.537 106 HE ARG 14 HE ARG 14 0.739 5.656 5.091 107 1HH1 ARG 14 HH11 ARG 14 1.364 7.800 7.779 108 2HH1 ARG 14 HH12 ARG 14 -0.072 7.349 8.650 109 1HH2 ARG 14 HH21 ARG 14 -1.179 5.077 6.205 110 2HH2 ARG 14 HH22 ARG 14 -1.538 5.807 7.738 111 H ASN 15 HN ASN 15 0.523 10.207 2.681 112 HA ASN 15 HA ASN 15 -0.581 11.830 4.851 113 1HB ASN 15 HB2 ASN 15 -0.150 13.335 2.908 114 2HB ASN 15 HB1 ASN 15 -1.199 12.317 1.925 115 1HD2 ASN 15 HD21 ASN 15 -1.034 14.611 4.520 116 2HD2 ASN 15 HD22 ASN 15 -2.725 14.983 4.571 117 H GLY 16 HN GLY 16 -1.499 9.986 5.694 118 1HA GLY 16 HA2 GLY 16 -3.153 8.441 6.020 119 2HA GLY 16 HA1 GLY 16 -4.065 9.299 4.789 120 H ASP 17 HN ASP 17 -4.563 8.207 3.048 121 HA ASP 17 HA ASP 17 -3.619 5.521 2.657 122 1HB ASP 17 HB2 ASP 17 -5.962 6.109 2.259 123 2HB ASP 17 HB1 ASP 17 -5.484 7.264 1.022 124 H THR 18 HN THR 18 -2.779 8.620 1.462 125 HA THR 18 HA THR 18 -1.464 7.458 -0.897 126 HB THR 18 HB THR 18 -1.436 9.850 -1.724 127 HG1 THR 18 HG1 THR 18 -2.354 10.280 0.755 128 1HG2 THR 18 HG21 THR 18 -3.068 8.205 -2.527 129 2HG2 THR 18 HG22 THR 18 -3.781 9.814 -2.420 130 3HG2 THR 18 HG23 THR 18 -4.137 8.607 -1.184 131 H ALA 19 HN ALA 19 0.643 8.008 -1.412 132 HA ALA 19 HA ALA 19 2.183 9.427 0.659 133 1HB ALA 19 HB1 ALA 19 3.158 7.455 -1.407 134 2HB ALA 19 HB2 ALA 19 2.899 7.112 0.303 135 3HB ALA 19 HB3 ALA 19 4.150 8.254 -0.188 136 H HIS 20 HN HIS 20 2.453 11.475 0.100 137 HA HIS 20 HA HIS 20 2.341 12.314 -2.667 138 1HB HIS 20 HB2 HIS 20 1.166 13.660 -1.053 139 2HB HIS 20 HB1 HIS 20 2.600 13.807 -0.048 140 HD1 HIS 20 HD1 HIS 20 0.922 15.272 -3.044 141 HD2 HIS 20 HD2 HIS 20 4.494 15.700 -0.939 142 HE1 HIS 20 HE1 HIS 20 1.940 17.434 -3.845 143 HE2 HIS 20 HE2 HIS 20 4.024 17.734 -2.457 144 H CYS 21 HN CYS 21 4.080 12.375 -3.922 145 HA CYS 21 HA CYS 21 6.730 12.296 -2.825 146 1HB CYS 21 HB2 CYS 21 6.026 11.164 -4.973 147 2HB CYS 21 HB1 CYS 21 5.938 12.761 -5.707 148 H GLU 22 HN GLU 22 8.150 13.910 -2.597 149 HA GLU 22 HA GLU 22 7.267 16.576 -2.448 150 1HB GLU 22 HB2 GLU 22 9.969 16.825 -2.386 151 2HB GLU 22 HB1 GLU 22 8.986 16.366 -1.004 152 1HG GLU 22 HG2 GLU 22 10.841 14.869 -1.131 153 2HG GLU 22 HG1 GLU 22 9.385 13.982 -1.578 154 H THR 23 HN THR 23 10.282 16.105 -4.160 155 HA THR 23 HA THR 23 9.572 17.739 -6.364 156 HB THR 23 HB THR 23 11.655 16.845 -7.401 157 HG1 THR 23 HG1 THR 23 12.096 15.359 -5.024 158 1HG2 THR 23 HG21 THR 23 11.790 18.712 -5.793 159 2HG2 THR 23 HG22 THR 23 13.225 17.687 -5.733 160 3HG2 THR 23 HG23 THR 23 11.992 17.552 -4.480 161 H CYS 24 HN CYS 24 9.115 17.068 -8.520 162 HA CYS 24 HA CYS 24 7.647 16.098 -9.905 163 1HB CYS 24 HB2 CYS 24 8.020 13.833 -10.589 164 2HB CYS 24 HB1 CYS 24 9.575 14.569 -10.252 165 H ALA 25 HN ALA 25 5.726 16.578 -9.148 166 HA ALA 25 HA ALA 25 4.651 15.589 -6.732 167 1HB ALA 25 HB1 ALA 25 4.057 17.776 -7.648 168 2HB ALA 25 HB2 ALA 25 2.627 16.786 -7.351 169 3HB ALA 25 HB3 ALA 25 3.234 16.988 -8.994 170 H LYS 26 HN LYS 26 4.393 13.455 -6.620 171 HA LYS 26 HA LYS 26 2.180 12.331 -8.164 172 1HB LYS 26 HB2 LYS 26 4.857 10.976 -7.752 173 2HB LYS 26 HB1 LYS 26 3.416 10.154 -8.324 174 1HG LYS 26 HG2 LYS 26 3.394 11.591 -10.309 175 2HG LYS 26 HG1 LYS 26 4.857 12.393 -9.732 176 1HD LYS 26 HD2 LYS 26 6.084 10.305 -9.850 177 2HD LYS 26 HD1 LYS 26 4.622 9.443 -10.326 178 1HE LYS 26 HE2 LYS 26 5.967 9.845 -12.277 179 2HE LYS 26 HE1 LYS 26 4.515 10.837 -12.368 180 1HZ LYS 26 HZ1 LYS 26 5.791 12.743 -11.646 181 2HZ LYS 26 HZ2 LYS 26 6.508 12.054 -13.022 182 3HZ LYS 26 HZ3 LYS 26 7.186 11.792 -11.496 183 H ASP 27 HN ASP 27 0.706 11.729 -6.653 184 HA ASP 27 HA ASP 27 1.750 10.678 -4.121 185 1HB ASP 27 HB2 ASP 27 -0.560 10.969 -3.235 186 2HB ASP 27 HB1 ASP 27 0.204 12.474 -3.725 187 H PHE 28 HN PHE 28 1.625 8.633 -3.662 188 HA PHE 28 HA PHE 28 0.259 6.883 -5.591 189 1HB PHE 28 HB2 PHE 28 2.479 6.159 -3.671 190 2HB PHE 28 HB1 PHE 28 1.876 5.195 -5.012 191 HD1 PHE 28 HD2 PHE 28 2.329 5.934 -7.352 192 HD2 PHE 28 HD1 PHE 28 4.137 7.800 -3.982 193 HE1 PHE 28 HE2 PHE 28 4.048 6.911 -8.819 194 HE2 PHE 28 HE1 PHE 28 5.857 8.779 -5.440 195 HZ PHE 28 HZ PHE 28 5.817 8.333 -7.862 196 H SER 29 HN SER 29 -1.307 5.512 -4.914 197 HA SER 29 HA SER 29 -2.255 5.637 -2.217 198 1HB SER 29 HB2 SER 29 -3.750 5.298 -4.198 199 2HB SER 29 HB1 SER 29 -3.040 3.700 -4.415 200 HG SER 29 HG SER 29 -4.254 4.487 -1.968 201 H LEU 30 HN LEU 30 -1.649 4.411 -0.549 202 HA LEU 30 HA LEU 30 0.261 2.249 -1.089 203 1HB LEU 30 HB2 LEU 30 -0.324 3.741 1.472 204 2HB LEU 30 HB1 LEU 30 0.885 2.486 1.288 205 HG LEU 30 HG LEU 30 0.908 5.192 -0.049 206 1HD1 LEU 30 HD11 LEU 30 2.596 3.991 2.140 207 2HD1 LEU 30 HD12 LEU 30 1.462 5.335 2.290 208 3HD1 LEU 30 HD13 LEU 30 2.931 5.522 1.332 209 1HD2 LEU 30 HD21 LEU 30 1.852 3.488 -1.514 210 2HD2 LEU 30 HD22 LEU 30 2.902 2.934 -0.211 211 3HD2 LEU 30 HD23 LEU 30 3.112 4.549 -0.888 212 H GLN 31 HN GLN 31 -0.403 0.243 -0.951 213 HA GLN 31 HA GLN 31 -2.754 -0.360 0.719 214 1HB GLN 31 HB2 GLN 31 -1.688 -1.877 -1.670 215 2HB GLN 31 HB1 GLN 31 -3.095 -2.328 -0.720 216 1HG GLN 31 HG2 GLN 31 -4.170 -0.202 -1.388 217 2HG GLN 31 HG1 GLN 31 -2.787 0.125 -2.433 218 1HE2 GLN 31 HE21 GLN 31 -3.988 0.100 -4.308 219 2HE2 GLN 31 HE22 GLN 31 -4.671 -1.344 -4.961 220 H ALA 32 HN ALA 32 -2.673 -2.139 2.086 221 HA ALA 32 HA ALA 32 0.006 -2.939 2.868 222 1HB ALA 32 HB1 ALA 32 -2.609 -3.708 4.155 223 2HB ALA 32 HB2 ALA 32 -1.702 -2.251 4.556 224 3HB ALA 32 HB3 ALA 32 -0.994 -3.839 4.849 225 H LEU 33 HN LEU 33 0.915 -4.701 2.089 226 HA LEU 33 HA LEU 33 -0.810 -6.845 1.051 227 1HB LEU 33 HB2 LEU 33 1.988 -5.976 0.400 228 2HB LEU 33 HB1 LEU 33 1.474 -7.614 0.053 229 HG LEU 33 HG LEU 33 1.294 -6.285 -1.943 230 1HD1 LEU 33 HD11 LEU 33 -1.424 -6.834 -0.768 231 2HD1 LEU 33 HD12 LEU 33 -0.395 -7.995 -1.609 232 3HD1 LEU 33 HD13 LEU 33 -1.064 -6.615 -2.481 233 1HD2 LEU 33 HD21 LEU 33 -0.517 -4.462 -0.366 234 2HD2 LEU 33 HD22 LEU 33 -0.199 -4.354 -2.098 235 3HD2 LEU 33 HD23 LEU 33 1.105 -4.075 -0.942 236 H CYS 34 HN CYS 34 -0.682 -8.891 1.851 237 HA CYS 34 HA CYS 34 1.179 -9.330 4.059 238 1HB CYS 34 HB2 CYS 34 -0.212 -11.267 4.665 239 2HB CYS 34 HB1 CYS 34 -1.164 -9.791 4.604 240 HA PRO 35 HA PRO 35 4.010 -11.415 1.597 241 1HB PRO 35 HB2 PRO 35 4.894 -13.325 3.392 242 2HB PRO 35 HB1 PRO 35 5.421 -11.639 3.357 243 1HG PRO 35 HG2 PRO 35 3.366 -12.950 5.086 244 2HG PRO 35 HG1 PRO 35 4.569 -11.716 5.509 245 1HD PRO 35 HD2 PRO 35 1.986 -11.086 5.106 246 2HD PRO 35 HD1 PRO 35 3.295 -9.994 4.607 247 H ASP 36 HN ASP 36 1.485 -13.377 3.050 248 HA ASP 36 HA ASP 36 2.259 -15.739 1.583 249 1HB ASP 36 HB2 ASP 36 0.972 -16.821 3.072 250 2HB ASP 36 HB1 ASP 36 0.716 -15.268 3.857 251 H CYS 37 HN CYS 37 -0.118 -13.155 1.214 252 HA CYS 37 HA CYS 37 -1.372 -14.584 -0.990 253 1HB CYS 37 HB2 CYS 37 -2.050 -11.975 0.370 254 2HB CYS 37 HB1 CYS 37 -2.914 -12.585 -1.038 255 H ARG 38 HN ARG 38 0.307 -11.491 -0.456 256 HA ARG 38 HA ARG 38 1.340 -10.038 -1.864 257 1HB ARG 38 HB2 ARG 38 1.602 -12.487 -3.620 258 2HB ARG 38 HB1 ARG 38 2.450 -10.967 -3.879 259 1HG ARG 38 HG2 ARG 38 2.743 -12.797 -1.507 260 2HG ARG 38 HG1 ARG 38 3.907 -12.570 -2.813 261 1HD ARG 38 HD2 ARG 38 3.014 -10.484 -0.828 262 2HD ARG 38 HD1 ARG 38 4.568 -11.316 -0.836 263 HE ARG 38 HE ARG 38 3.814 -9.732 -3.185 264 1HH1 ARG 38 HH11 ARG 38 5.870 -10.211 -0.396 265 2HH1 ARG 38 HH12 ARG 38 6.978 -8.939 -0.826 266 1HH2 ARG 38 HH21 ARG 38 5.259 -8.079 -3.771 267 2HH2 ARG 38 HH22 ARG 38 6.634 -7.723 -2.765 268 H GLN 39 HN GLN 39 -1.565 -10.665 -2.084 269 HA GLN 39 HA GLN 39 -2.061 -9.317 -4.641 270 1HB GLN 39 HB2 GLN 39 -3.527 -11.689 -3.471 271 2HB GLN 39 HB1 GLN 39 -4.231 -10.662 -4.712 272 1HG GLN 39 HG2 GLN 39 -2.559 -11.275 -6.284 273 2HG GLN 39 HG1 GLN 39 -1.606 -12.088 -5.043 274 1HE2 GLN 39 HE21 GLN 39 -2.191 -14.102 -4.356 275 2HE2 GLN 39 HE22 GLN 39 -3.373 -15.076 -5.171 276 HA PRO 40 HA PRO 40 -4.234 -6.150 -2.625 277 1HB PRO 40 HB2 PRO 40 -6.881 -6.603 -3.565 278 2HB PRO 40 HB1 PRO 40 -5.685 -5.474 -4.209 279 1HG PRO 40 HG2 PRO 40 -6.397 -8.207 -5.120 280 2HG PRO 40 HG1 PRO 40 -5.797 -6.828 -6.058 281 1HD PRO 40 HD2 PRO 40 -4.220 -8.912 -5.502 282 2HD PRO 40 HD1 PRO 40 -3.581 -7.253 -5.492 283 H LEU 41 HN LEU 41 -4.301 -6.512 -0.490 284 HA LEU 41 HA LEU 41 -6.094 -8.337 0.779 285 1HB LEU 41 HB2 LEU 41 -4.244 -6.173 1.683 286 2HB LEU 41 HB1 LEU 41 -5.505 -6.685 2.785 287 HG LEU 41 HG LEU 41 -4.630 -8.965 2.780 288 1HD1 LEU 41 HD11 LEU 41 -2.489 -7.911 0.942 289 2HD1 LEU 41 HD12 LEU 41 -3.758 -9.055 0.507 290 3HD1 LEU 41 HD13 LEU 41 -2.523 -9.512 1.684 291 1HD2 LEU 41 HD21 LEU 41 -3.726 -7.309 4.379 292 2HD2 LEU 41 HD22 LEU 41 -2.415 -6.977 3.251 293 3HD2 LEU 41 HD23 LEU 41 -2.575 -8.578 3.972 294 H GLN 42 HN GLN 42 -7.993 -7.785 1.976 295 HA GLN 42 HA GLN 42 -9.735 -6.128 0.542 296 1HB GLN 42 HB2 GLN 42 -10.041 -7.224 3.342 297 2HB GLN 42 HB1 GLN 42 -11.339 -6.531 2.379 298 1HG GLN 42 HG2 GLN 42 -11.086 -8.303 0.737 299 2HG GLN 42 HG1 GLN 42 -9.748 -8.984 1.659 300 1HE2 GLN 42 HE21 GLN 42 -12.288 -10.192 0.903 301 2HE2 GLN 42 HE22 GLN 42 -13.037 -10.692 2.385 302 H VAL 43 HN VAL 43 -9.767 -4.010 0.466 303 HA VAL 43 HA VAL 43 -8.564 -2.337 2.425 304 HB VAL 43 HB VAL 43 -8.551 -1.533 0.186 305 1HG1 VAL 43 HG11 VAL 43 -10.454 -2.767 -0.680 306 2HG1 VAL 43 HG12 VAL 43 -10.580 -1.057 -1.094 307 3HG1 VAL 43 HG13 VAL 43 -11.558 -1.724 0.214 308 1HG2 VAL 43 HG21 VAL 43 -10.554 0.066 1.777 309 2HG2 VAL 43 HG22 VAL 43 -9.642 0.657 0.388 310 3HG2 VAL 43 HG23 VAL 43 -8.798 0.201 1.869 311 H LEU 44 HN LEU 44 -9.378 -2.021 4.346 312 HA LEU 44 HA LEU 44 -12.304 -1.893 4.665 313 1HB LEU 44 HB2 LEU 44 -10.276 -3.011 6.605 314 2HB LEU 44 HB1 LEU 44 -12.011 -2.943 6.858 315 HG LEU 44 HG LEU 44 -10.691 -4.532 4.653 316 1HD1 LEU 44 HD11 LEU 44 -11.197 -6.502 6.014 317 2HD1 LEU 44 HD12 LEU 44 -11.726 -5.450 7.329 318 3HD1 LEU 44 HD13 LEU 44 -10.041 -5.433 6.810 319 1HD2 LEU 44 HD21 LEU 44 -13.506 -4.521 5.732 320 2HD2 LEU 44 HD22 LEU 44 -12.881 -5.611 4.496 321 3HD2 LEU 44 HD23 LEU 44 -12.984 -3.881 4.173 322 H LYS 45 HN LYS 45 -12.806 0.177 5.062 323 HA LYS 45 HA LYS 45 -10.946 1.820 6.591 324 1HB LYS 45 HB2 LYS 45 -13.548 2.618 5.267 325 2HB LYS 45 HB1 LYS 45 -12.347 3.708 5.953 326 1HG LYS 45 HG2 LYS 45 -10.716 2.864 4.272 327 2HG LYS 45 HG1 LYS 45 -12.028 1.941 3.537 328 1HD LYS 45 HD2 LYS 45 -13.267 4.057 3.193 329 2HD LYS 45 HD1 LYS 45 -11.879 4.940 3.833 330 1HE LYS 45 HE2 LYS 45 -11.733 5.011 1.458 331 2HE LYS 45 HE1 LYS 45 -10.492 3.896 2.031 332 1HZ LYS 45 HZ1 LYS 45 -11.565 2.918 0.162 333 2HZ LYS 45 HZ2 LYS 45 -13.106 3.202 0.807 334 3HZ LYS 45 HZ3 LYS 45 -12.084 2.061 1.531 335 H ALA 46 HN ALA 46 -11.135 1.021 8.631 336 HA ALA 46 HA ALA 46 -13.714 0.489 9.797 337 1HB ALA 46 HB1 ALA 46 -11.810 -0.959 10.283 338 2HB ALA 46 HB2 ALA 46 -12.453 -0.231 11.755 339 3HB ALA 46 HB3 ALA 46 -10.968 0.394 11.037 340 H CYS 47 HN CYS 47 -14.636 2.561 9.698 341 HA CYS 47 HA CYS 47 -15.481 4.389 10.722 342 1HB CYS 47 HB2 CYS 47 -13.666 3.710 13.041 343 2HB CYS 47 HB1 CYS 47 -15.092 4.742 13.084 344 HG CYS 47 HG CYS 47 -16.932 2.846 13.124 345 H GLY 48 HN GLY 48 -12.306 4.655 12.275 346 1HA GLY 48 HA2 GLY 48 -11.875 7.115 10.692 347 2HA GLY 48 HA1 GLY 48 -11.458 6.984 12.395 348 H ALA 49 HN ALA 49 -10.840 4.097 10.829 349 HA ALA 49 HA ALA 49 -8.024 4.847 10.385 350 1HB ALA 49 HB1 ALA 49 -7.363 2.642 11.205 351 2HB ALA 49 HB2 ALA 49 -9.052 2.252 11.533 352 3HB ALA 49 HB3 ALA 49 -8.252 3.537 12.437 353 H VAL 50 HN VAL 50 -7.069 4.115 8.543 354 HA VAL 50 HA VAL 50 -8.787 2.653 6.667 355 HB VAL 50 HB VAL 50 -6.268 4.249 6.152 356 1HG1 VAL 50 HG11 VAL 50 -8.122 2.875 4.208 357 2HG1 VAL 50 HG12 VAL 50 -6.466 2.399 4.580 358 3HG1 VAL 50 HG13 VAL 50 -6.782 3.936 3.774 359 1HG2 VAL 50 HG21 VAL 50 -7.765 5.819 5.022 360 2HG2 VAL 50 HG22 VAL 50 -8.192 5.637 6.724 361 3HG2 VAL 50 HG23 VAL 50 -9.152 4.831 5.482 362 H ASP 51 HN ASP 51 -8.480 0.548 6.570 363 HA ASP 51 HA ASP 51 -5.780 -0.517 7.071 364 1HB ASP 51 HB2 ASP 51 -8.471 -1.572 7.946 365 2HB ASP 51 HB1 ASP 51 -7.033 -2.587 7.904 366 H TYR 52 HN TYR 52 -5.319 -2.554 6.075 367 HA TYR 52 HA TYR 52 -7.010 -3.363 3.822 368 1HB TYR 52 HB2 TYR 52 -4.075 -2.648 3.681 369 2HB TYR 52 HB1 TYR 52 -4.827 -3.712 2.507 370 HD1 TYR 52 HD1 TYR 52 -4.934 -0.252 3.881 371 HD2 TYR 52 HD2 TYR 52 -5.951 -2.837 0.659 372 HE1 TYR 52 HE1 TYR 52 -5.539 1.700 2.513 373 HE2 TYR 52 HE2 TYR 52 -6.564 -0.895 -0.715 374 HH TYR 52 HH TYR 52 -5.841 2.357 0.251 375 H PHE 53 HN PHE 53 -7.553 -5.319 4.825 376 HA PHE 53 HA PHE 53 -5.467 -7.295 4.852 377 1HB PHE 53 HB2 PHE 53 -5.818 -8.068 7.160 378 2HB PHE 53 HB1 PHE 53 -5.140 -6.449 7.094 379 HD1 PHE 53 HD2 PHE 53 -8.154 -8.419 7.845 380 HD2 PHE 53 HD1 PHE 53 -6.317 -4.581 7.975 381 HE1 PHE 53 HE2 PHE 53 -9.931 -7.626 9.349 382 HE2 PHE 53 HE1 PHE 53 -8.092 -3.782 9.480 383 HZ PHE 53 HZ PHE 53 -9.901 -5.305 10.168 384 H CYS 54 HN CYS 54 -6.174 -9.419 4.901 385 HA CYS 54 HA CYS 54 -8.720 -9.830 3.702 386 1HB CYS 54 HB2 CYS 54 -6.918 -11.972 4.836 387 2HB CYS 54 HB1 CYS 54 -8.056 -12.107 3.501 388 H GLN 55 HN GLN 55 -10.268 -9.151 5.202 389 HA GLN 55 HA GLN 55 -10.311 -9.835 7.923 390 1HB GLN 55 HB2 GLN 55 -11.609 -7.986 6.875 391 2HB GLN 55 HB1 GLN 55 -12.671 -9.182 6.149 392 1HG GLN 55 HG2 GLN 55 -13.398 -9.911 8.344 393 2HG GLN 55 HG1 GLN 55 -12.281 -8.778 9.106 394 1HE2 GLN 55 HE21 GLN 55 -13.941 -7.693 10.170 395 2HE2 GLN 55 HE22 GLN 55 -15.034 -6.648 9.335 396 H ASN 56 HN ASN 56 -11.953 -11.313 5.141 397 HA ASN 56 HA ASN 56 -12.225 -13.748 6.767 398 1HB ASN 56 HB2 ASN 56 -14.277 -14.324 5.633 399 2HB ASN 56 HB1 ASN 56 -14.444 -12.714 6.316 400 1HD2 ASN 56 HD21 ASN 56 -15.781 -14.134 4.074 401 2HD2 ASN 56 HD22 ASN 56 -15.644 -13.062 2.721 402 H GLY 57 HN GLY 57 -11.878 -15.723 5.701 403 1HA GLY 57 HA2 GLY 57 -11.338 -17.016 3.765 404 2HA GLY 57 HA1 GLY 57 -10.782 -15.546 2.977 405 H HIS 58 HN HIS 58 -9.374 -14.761 5.491 406 HA HIS 58 HA HIS 58 -7.199 -16.720 5.556 407 1HB HIS 58 HB2 HIS 58 -6.496 -15.125 3.860 408 2HB HIS 58 HB1 HIS 58 -6.870 -13.774 4.917 409 HD2 HIS 58 HD2 HIS 58 -4.938 -16.262 6.975 410 HE1 HIS 58 HE1 HIS 58 -2.036 -13.659 5.312 411 HE2 HIS 58 HE2 HIS 58 -2.554 -15.298 7.161 412 H GLY 59 HN GLY 59 -8.016 -13.477 6.783 413 1HA GLY 59 HA2 GLY 59 -8.631 -13.499 9.252 414 2HA GLY 59 HA1 GLY 59 -7.105 -14.361 9.440 415 H LEU 60 HN LEU 60 -7.804 -11.817 10.610 416 HA LEU 60 HA LEU 60 -6.706 -9.708 9.059 417 1HB LEU 60 HB2 LEU 60 -6.845 -8.386 11.125 418 2HB LEU 60 HB1 LEU 60 -8.338 -9.227 10.767 419 HG LEU 60 HG LEU 60 -7.260 -11.012 12.453 420 1HD1 LEU 60 HD11 LEU 60 -5.222 -9.713 12.819 421 2HD1 LEU 60 HD12 LEU 60 -6.162 -9.870 14.304 422 3HD1 LEU 60 HD13 LEU 60 -6.187 -8.356 13.400 423 1HD2 LEU 60 HD21 LEU 60 -9.462 -10.008 12.659 424 2HD2 LEU 60 HD22 LEU 60 -8.743 -8.510 13.252 425 3HD2 LEU 60 HD23 LEU 60 -8.625 -9.985 14.211 426 H ILE 61 HN ILE 61 -4.710 -8.933 8.920 427 HA ILE 61 HA ILE 61 -2.599 -10.262 10.463 428 HB ILE 61 HB ILE 61 -2.372 -8.593 7.944 429 1HG1 ILE 61 HG12 ILE 61 -3.453 -10.756 7.531 430 2HG1 ILE 61 HG11 ILE 61 -1.844 -10.717 6.822 431 1HG2 ILE 61 HG21 ILE 61 -0.272 -10.172 9.431 432 2HG2 ILE 61 HG22 ILE 61 -0.370 -8.415 9.310 433 3HG2 ILE 61 HG23 ILE 61 -0.044 -9.382 7.870 434 1HD1 ILE 61 HD11 ILE 61 -2.619 -12.066 9.398 435 2HD1 ILE 61 HD12 ILE 61 -0.991 -12.005 8.723 436 3HD1 ILE 61 HD13 ILE 61 -2.272 -12.856 7.860 437 H SER 62 HN SER 62 -1.249 -9.071 11.764 438 HA SER 62 HA SER 62 -2.138 -6.807 13.024 439 1HB SER 62 HB2 SER 62 0.782 -7.500 12.657 440 2HB SER 62 HB1 SER 62 0.038 -6.670 14.024 441 HG SER 62 HG SER 62 -0.184 -8.578 14.867 442 H LYS 63 HN LYS 63 -2.263 -4.732 12.516 443 HA LYS 63 HA LYS 63 -1.716 -3.820 9.907 444 1HB LYS 63 HB2 LYS 63 -3.523 -2.982 11.407 445 2HB LYS 63 HB1 LYS 63 -2.297 -2.186 12.381 446 1HG LYS 63 HG2 LYS 63 -1.710 -0.743 10.545 447 2HG LYS 63 HG1 LYS 63 -2.824 -1.601 9.475 448 1HD LYS 63 HD2 LYS 63 -4.689 -0.948 10.958 449 2HD LYS 63 HD1 LYS 63 -3.554 -0.019 11.937 450 1HE LYS 63 HE2 LYS 63 -3.084 1.452 10.106 451 2HE LYS 63 HE1 LYS 63 -4.025 0.450 9.001 452 1HZ LYS 63 HZ1 LYS 63 -5.166 1.844 11.362 453 2HZ LYS 63 HZ2 LYS 63 -6.025 1.016 10.149 454 3HZ LYS 63 HZ3 LYS 63 -5.206 2.459 9.779 455 H LYS 64 HN LYS 64 0.117 -3.773 12.848 456 HA LYS 64 HA LYS 64 2.073 -1.891 11.828 457 1HB LYS 64 HB2 LYS 64 1.984 -3.564 14.338 458 2HB LYS 64 HB1 LYS 64 3.280 -2.441 13.949 459 1HG LYS 64 HG2 LYS 64 1.744 -0.585 13.989 460 2HG LYS 64 HG1 LYS 64 0.383 -1.679 14.243 461 1HD LYS 64 HD2 LYS 64 1.249 -2.321 16.402 462 2HD LYS 64 HD1 LYS 64 2.709 -1.363 16.137 463 1HE LYS 64 HE2 LYS 64 -0.088 -0.245 16.243 464 2HE LYS 64 HE1 LYS 64 1.043 -0.244 17.595 465 1HZ LYS 64 HZ1 LYS 64 1.546 1.066 14.975 466 2HZ LYS 64 HZ2 LYS 64 2.540 1.136 16.344 467 3HZ LYS 64 HZ3 LYS 64 1.011 1.869 16.367 468 H ARG 65 HN ARG 65 1.418 -4.969 11.076 469 HA ARG 65 HA ARG 65 4.252 -5.702 10.746 470 1HB ARG 65 HB2 ARG 65 3.129 -7.246 12.231 471 2HB ARG 65 HB1 ARG 65 1.820 -7.464 11.080 472 1HG ARG 65 HG2 ARG 65 3.354 -8.549 9.529 473 2HG ARG 65 HG1 ARG 65 4.681 -8.316 10.671 474 1HD ARG 65 HD2 ARG 65 3.669 -9.760 12.263 475 2HD ARG 65 HD1 ARG 65 2.163 -9.815 11.350 476 HE ARG 65 HE ARG 65 4.302 -10.786 9.768 477 1HH1 ARG 65 HH11 ARG 65 2.390 -11.673 12.567 478 2HH1 ARG 65 HH12 ARG 65 2.434 -13.379 12.218 479 1HH2 ARG 65 HH21 ARG 65 4.348 -13.023 9.294 480 2HH2 ARG 65 HH22 ARG 65 3.520 -14.142 10.337 481 H VAL 66 HN VAL 66 1.214 -5.155 9.199 482 HA VAL 66 HA VAL 66 1.695 -6.480 6.751 483 HB VAL 66 HB VAL 66 -0.000 -4.973 5.773 484 1HG1 VAL 66 HG11 VAL 66 -0.739 -6.063 8.482 485 2HG1 VAL 66 HG12 VAL 66 -0.734 -6.957 6.962 486 3HG1 VAL 66 HG13 VAL 66 -1.874 -5.633 7.203 487 1HG2 VAL 66 HG21 VAL 66 -1.111 -3.303 7.159 488 2HG2 VAL 66 HG22 VAL 66 0.601 -2.929 6.961 489 3HG2 VAL 66 HG23 VAL 66 0.021 -3.631 8.471 490 H ASN 67 HN ASN 67 2.222 -5.514 4.673 491 HA ASN 67 HA ASN 67 4.190 -3.352 5.015 492 1HB ASN 67 HB2 ASN 67 5.027 -5.582 4.211 493 2HB ASN 67 HB1 ASN 67 4.060 -5.355 2.756 494 1HD2 ASN 67 HD21 ASN 67 5.890 -5.378 1.450 495 2HD2 ASN 67 HD22 ASN 67 6.983 -4.044 1.384 496 H PHE 68 HN PHE 68 3.225 -1.484 4.563 497 HA PHE 68 HA PHE 68 1.268 -1.226 2.459 498 1HB PHE 68 HB2 PHE 68 2.470 0.625 4.480 499 2HB PHE 68 HB1 PHE 68 1.674 1.309 3.071 500 HD1 PHE 68 HD2 PHE 68 1.168 -0.773 6.081 501 HD2 PHE 68 HD1 PHE 68 -0.670 1.345 2.881 502 HE1 PHE 68 HE2 PHE 68 -1.011 -0.974 7.201 503 HE2 PHE 68 HE1 PHE 68 -2.852 1.150 3.998 504 HZ PHE 68 HZ PHE 68 -3.024 -0.011 6.160 505 H VAL 69 HN VAL 69 1.916 -1.252 0.420 506 HA VAL 69 HA VAL 69 4.265 0.368 -0.306 507 HB VAL 69 HB VAL 69 4.757 -1.251 -2.131 508 1HG1 VAL 69 HG11 VAL 69 6.054 -1.278 -0.080 509 2HG1 VAL 69 HG12 VAL 69 5.850 -2.915 -0.702 510 3HG1 VAL 69 HG13 VAL 69 4.885 -2.364 0.669 511 1HG2 VAL 69 HG21 VAL 69 3.837 -3.516 -1.994 512 2HG2 VAL 69 HG22 VAL 69 2.574 -2.319 -2.283 513 3HG2 VAL 69 HG23 VAL 69 2.783 -3.009 -0.673 514 H ILE 70 HN ILE 70 4.273 0.661 -2.801 515 HA ILE 70 HA ILE 70 1.825 2.004 -3.472 516 HB ILE 70 HB ILE 70 4.312 1.546 -5.133 517 1HG1 ILE 70 HG12 ILE 70 3.481 3.988 -3.554 518 2HG1 ILE 70 HG11 ILE 70 4.658 2.804 -2.997 519 1HG2 ILE 70 HG21 ILE 70 1.999 3.438 -5.531 520 2HG2 ILE 70 HG22 ILE 70 2.416 2.057 -6.543 521 3HG2 ILE 70 HG23 ILE 70 3.493 3.453 -6.471 522 1HD1 ILE 70 HD11 ILE 70 4.911 4.543 -5.437 523 2HD1 ILE 70 HD12 ILE 70 6.092 3.348 -4.901 524 3HD1 ILE 70 HD13 ILE 70 5.751 4.763 -3.903 525 H SER 71 HN SER 71 0.114 0.948 -4.277 526 HA SER 71 HA SER 71 0.600 -1.184 -6.226 527 1HB SER 71 HB2 SER 71 -1.256 -1.438 -3.851 528 2HB SER 71 HB1 SER 71 -1.068 -2.628 -5.140 529 HG SER 71 HG SER 71 1.318 -1.922 -4.049 530 H ASP 72 HN ASP 72 -0.526 -0.876 -7.982 531 HA ASP 72 HA ASP 72 -3.326 -0.303 -7.916 532 1HB ASP 72 HB2 ASP 72 -2.181 2.004 -7.843 533 2HB ASP 72 HB1 ASP 72 -1.635 1.659 -9.480 534 H GLN 73 HN GLN 73 -3.861 0.084 -10.541 535 HA GLN 73 HA GLN 73 -2.349 -2.028 -11.929 536 1HB GLN 73 HB2 GLN 73 -4.471 -2.881 -10.800 537 2HB GLN 73 HB1 GLN 73 -5.366 -1.884 -11.938 538 1HG GLN 73 HG2 GLN 73 -5.325 -4.119 -12.757 539 2HG GLN 73 HG1 GLN 73 -4.290 -3.137 -13.791 540 1HE2 GLN 73 HE21 GLN 73 -3.115 -4.910 -14.506 541 2HE2 GLN 73 HE22 GLN 73 -1.993 -5.760 -13.489 542 H LEU 74 HN LEU 74 -3.248 1.065 -11.961 543 HA LEU 74 HA LEU 74 -3.564 2.698 -13.499 544 1HB LEU 74 HB2 LEU 74 -2.617 0.585 -15.441 545 2HB LEU 74 HB1 LEU 74 -2.851 2.274 -15.848 546 HG LEU 74 HG LEU 74 -0.840 1.183 -13.877 547 1HD1 LEU 74 HD11 LEU 74 -0.491 2.461 -16.586 548 2HD1 LEU 74 HD12 LEU 74 -0.244 0.758 -16.201 549 3HD1 LEU 74 HD13 LEU 74 0.811 1.983 -15.495 550 1HD2 LEU 74 HD21 LEU 74 -1.692 3.355 -13.160 551 2HD2 LEU 74 HD22 LEU 74 -1.353 4.022 -14.758 552 3HD2 LEU 74 HD23 LEU 74 -0.027 3.484 -13.728 553 H GLU 75 HN GLU 75 -5.620 0.790 -12.750 554 HA GLU 75 HA GLU 75 -7.389 0.824 -15.086 555 1HB GLU 75 HB2 GLU 75 -6.871 -1.265 -13.555 556 2HB GLU 75 HB1 GLU 75 -8.051 -0.522 -12.486 557 1HG GLU 75 HG2 GLU 75 -8.579 -1.241 -15.358 558 2HG GLU 75 HG1 GLU 75 -8.969 -2.270 -13.983 559 H HIS 76 HN HIS 76 -8.512 2.669 -15.190 560 HA HIS 76 HA HIS 76 -8.811 4.259 -12.778 561 1HB HIS 76 HB2 HIS 76 -9.323 4.899 -15.681 562 2HB HIS 76 HB1 HIS 76 -9.567 6.042 -14.365 563 HD1 HIS 76 HD1 HIS 76 -7.447 7.009 -13.217 564 HD2 HIS 76 HD2 HIS 76 -6.660 4.430 -16.385 565 HE1 HIS 76 HE1 HIS 76 -5.008 7.321 -13.761 566 HE2 HIS 76 HE2 HIS 76 -4.620 5.905 -15.812 567 H HIS 77 HN HIS 77 -10.550 1.842 -13.582 568 HA HIS 77 HA HIS 77 -12.552 1.170 -12.756 569 1HB HIS 77 HB2 HIS 77 -12.312 2.874 -10.987 570 2HB HIS 77 HB1 HIS 77 -13.052 4.068 -12.047 571 HD1 HIS 77 HD1 HIS 77 -13.833 1.224 -9.798 572 HD2 HIS 77 HD2 HIS 77 -15.846 3.770 -12.400 573 HE1 HIS 77 HE1 HIS 77 -16.282 0.883 -9.326 574 HE2 HIS 77 HE2 HIS 77 -17.459 2.593 -10.761 575 H HIS 78 HN HIS 78 -14.497 0.751 -13.639 576 HA HIS 78 HA HIS 78 -16.126 0.652 -15.207 577 1HB HIS 78 HB2 HIS 78 -16.658 2.995 -14.531 578 2HB HIS 78 HB1 HIS 78 -15.538 3.575 -15.759 579 HD1 HIS 78 HD1 HIS 78 -18.949 2.183 -15.293 580 HD2 HIS 78 HD2 HIS 78 -16.474 3.345 -18.423 581 HE1 HIS 78 HE1 HIS 78 -20.429 2.297 -17.321 582 HE2 HIS 78 HE2 HIS 78 -18.961 3.261 -19.127 583 H HIS 79 HN HIS 79 -14.964 -0.800 -16.427 584 HA HIS 79 HA HIS 79 -13.409 0.379 -18.632 585 1HB HIS 79 HB2 HIS 79 -12.305 -0.937 -16.492 586 2HB HIS 79 HB1 HIS 79 -12.445 -2.219 -17.692 587 HD1 HIS 79 HD1 HIS 79 -10.210 0.327 -16.604 588 HD2 HIS 79 HD2 HIS 79 -11.245 -1.289 -20.300 589 HE1 HIS 79 HE1 HIS 79 -8.339 0.951 -18.174 590 HE2 HIS 79 HE2 HIS 79 -9.071 0.110 -20.438 591 H HIS 80 HN HIS 80 -15.318 0.031 -19.930 592 HA HIS 80 HA HIS 80 -15.402 -2.756 -20.892 593 1HB HIS 80 HB2 HIS 80 -17.602 -1.670 -20.245 594 2HB HIS 80 HB1 HIS 80 -17.354 -0.546 -21.577 595 HD1 HIS 80 HD1 HIS 80 -17.914 -4.227 -20.917 596 HD2 HIS 80 HD2 HIS 80 -18.107 -1.496 -24.052 597 HE1 HIS 80 HE1 HIS 80 -19.000 -5.456 -22.825 598 HE2 HIS 80 HE2 HIS 80 -19.272 -3.734 -24.642 599 H HIS 81 HN HIS 81 -14.706 0.559 -21.596 600 HA HIS 81 HA HIS 81 -13.577 -0.218 -24.200 601 1HB HIS 81 HB2 HIS 81 -14.014 2.552 -23.044 602 2HB HIS 81 HB1 HIS 81 -13.333 2.206 -24.628 603 HD1 HIS 81 HD1 HIS 81 -16.309 3.364 -23.259 604 HD2 HIS 81 HD2 HIS 81 -15.435 0.451 -26.098 605 HE1 HIS 81 HE1 HIS 81 -18.422 3.055 -24.590 606 HE2 HIS 81 HE2 HIS 81 -17.926 1.162 -26.177 Start of MODEL 5 1 1H MET 1 HT1 MET 1 13.845 1.469 7.621 2 2H MET 1 HT2 MET 1 13.727 3.106 8.031 3 3H MET 1 HT3 MET 1 13.810 2.643 6.398 4 HA MET 1 HA MET 1 11.694 1.495 6.603 5 1HB MET 1 HB2 MET 1 11.945 1.081 9.059 6 2HB MET 1 HB1 MET 1 11.598 2.779 9.343 7 1HG MET 1 HG2 MET 1 9.380 2.500 8.382 8 2HG MET 1 HG1 MET 1 9.728 0.803 8.053 9 1HE MET 1 HE1 MET 1 7.108 0.636 10.974 10 2HE MET 1 HE2 MET 1 7.485 0.137 9.326 11 3HE MET 1 HE3 MET 1 7.157 1.833 9.679 12 H GLU 2 HN GLU 2 13.157 4.441 6.608 13 HA GLU 2 HA GLU 2 11.005 6.267 6.634 14 1HB GLU 2 HB2 GLU 2 13.635 6.412 5.146 15 2HB GLU 2 HB1 GLU 2 12.503 7.742 5.287 16 1HG GLU 2 HG2 GLU 2 14.259 8.093 6.831 17 2HG GLU 2 HG1 GLU 2 12.815 7.666 7.748 18 H ILE 3 HN ILE 3 9.352 6.422 5.241 19 HA ILE 3 HA ILE 3 9.355 5.195 2.679 20 HB ILE 3 HB ILE 3 7.322 6.643 2.249 21 1HG1 ILE 3 HG12 ILE 3 7.702 7.382 5.164 22 2HG1 ILE 3 HG11 ILE 3 7.925 8.481 3.807 23 1HG2 ILE 3 HG21 ILE 3 5.907 5.370 3.804 24 2HG2 ILE 3 HG22 ILE 3 7.345 4.901 4.709 25 3HG2 ILE 3 HG23 ILE 3 7.138 4.364 3.042 26 1HD1 ILE 3 HD11 ILE 3 5.568 8.237 3.225 27 2HD1 ILE 3 HD12 ILE 3 5.776 8.827 4.875 28 3HD1 ILE 3 HD13 ILE 3 5.347 7.140 4.589 29 H THR 4 HN THR 4 10.663 5.823 1.108 30 HA THR 4 HA THR 4 11.186 8.702 0.775 31 HB THR 4 HB THR 4 13.315 6.661 0.203 32 HG1 THR 4 HG1 THR 4 12.414 6.591 2.493 33 1HG2 THR 4 HG21 THR 4 14.799 8.539 0.649 34 2HG2 THR 4 HG22 THR 4 13.423 9.538 1.114 35 3HG2 THR 4 HG23 THR 4 13.593 8.993 -0.557 36 H CYS 5 HN CYS 5 10.978 9.426 -1.299 37 HA CYS 5 HA CYS 5 10.209 7.663 -3.378 38 1HB CYS 5 HB2 CYS 5 10.826 9.899 -4.739 39 2HB CYS 5 HB1 CYS 5 9.320 9.695 -3.858 40 HA PRO 6 HA PRO 6 14.117 6.030 -4.436 41 1HB PRO 6 HB2 PRO 6 13.089 5.734 -7.193 42 2HB PRO 6 HB1 PRO 6 13.652 4.501 -6.059 43 1HG PRO 6 HG2 PRO 6 11.054 4.782 -6.621 44 2HG PRO 6 HG1 PRO 6 11.608 4.361 -4.990 45 1HD PRO 6 HD2 PRO 6 10.677 6.999 -6.054 46 2HD PRO 6 HD1 PRO 6 10.348 6.233 -4.487 47 H VAL 7 HN VAL 7 13.104 7.511 -7.503 48 HA VAL 7 HA VAL 7 15.766 8.395 -8.022 49 HB VAL 7 HB VAL 7 14.810 9.448 -10.056 50 1HG1 VAL 7 HG11 VAL 7 14.110 7.359 -11.135 51 2HG1 VAL 7 HG12 VAL 7 13.924 6.609 -9.548 52 3HG1 VAL 7 HG13 VAL 7 15.519 7.121 -10.100 53 1HG2 VAL 7 HG21 VAL 7 12.447 9.089 -10.605 54 2HG2 VAL 7 HG22 VAL 7 12.633 10.103 -9.174 55 3HG2 VAL 7 HG23 VAL 7 12.180 8.408 -9.000 56 H CYS 8 HN CYS 8 12.926 9.828 -6.688 57 HA CYS 8 HA CYS 8 14.052 12.514 -6.792 58 1HB CYS 8 HB2 CYS 8 11.620 12.690 -5.527 59 2HB CYS 8 HB1 CYS 8 11.881 12.881 -7.259 60 H HIS 9 HN HIS 9 15.398 10.684 -5.221 61 HA HIS 9 HA HIS 9 14.759 10.099 -2.667 62 1HB HIS 9 HB2 HIS 9 16.818 9.405 -3.844 63 2HB HIS 9 HB1 HIS 9 17.482 11.014 -3.601 64 HD1 HIS 9 HD1 HIS 9 18.271 11.625 -1.180 65 HD2 HIS 9 HD2 HIS 9 16.920 7.714 -1.643 66 HE1 HIS 9 HE1 HIS 9 19.072 10.382 0.851 67 HE2 HIS 9 HE2 HIS 9 18.412 7.981 0.456 68 H HIS 10 HN HIS 10 13.580 11.633 -1.551 69 HA HIS 10 HA HIS 10 15.091 13.103 0.293 70 1HB HIS 10 HB2 HIS 10 15.184 14.657 -1.766 71 2HB HIS 10 HB1 HIS 10 13.476 14.956 -1.463 72 HD1 HIS 10 HD1 HIS 10 13.013 16.902 0.033 73 HD2 HIS 10 HD2 HIS 10 16.819 15.332 0.638 74 HE1 HIS 10 HE1 HIS 10 14.114 18.417 1.708 75 HE2 HIS 10 HE2 HIS 10 16.340 17.345 2.194 76 H ALA 11 HN ALA 11 13.501 11.363 1.049 77 HA ALA 11 HA ALA 11 11.718 10.788 2.325 78 1HB ALA 11 HB1 ALA 11 11.425 13.756 2.723 79 2HB ALA 11 HB2 ALA 11 12.515 12.703 3.626 80 3HB ALA 11 HB3 ALA 11 10.768 12.485 3.755 81 H LEU 12 HN LEU 12 9.469 10.548 2.438 82 HA LEU 12 HA LEU 12 7.950 11.769 0.226 83 1HB LEU 12 HB2 LEU 12 7.624 9.154 1.684 84 2HB LEU 12 HB1 LEU 12 6.325 9.850 0.736 85 HG LEU 12 HG LEU 12 9.035 9.089 -0.355 86 1HD1 LEU 12 HD11 LEU 12 7.848 7.243 -1.428 87 2HD1 LEU 12 HD12 LEU 12 6.362 7.713 -0.602 88 3HD1 LEU 12 HD13 LEU 12 7.743 7.131 0.328 89 1HD2 LEU 12 HD21 LEU 12 7.977 10.924 -1.562 90 2HD2 LEU 12 HD22 LEU 12 6.497 9.977 -1.717 91 3HD2 LEU 12 HD23 LEU 12 7.972 9.448 -2.526 92 H GLU 13 HN GLU 13 5.642 12.150 0.697 93 HA GLU 13 HA GLU 13 5.190 12.900 3.513 94 1HB GLU 13 HB2 GLU 13 5.370 14.853 2.009 95 2HB GLU 13 HB1 GLU 13 4.082 14.199 1.011 96 1HG GLU 13 HG2 GLU 13 2.540 14.386 2.917 97 2HG GLU 13 HG1 GLU 13 3.839 15.104 3.870 98 H ARG 14 HN ARG 14 3.841 11.443 4.389 99 HA ARG 14 HA ARG 14 2.119 9.873 2.707 100 1HB ARG 14 HB2 ARG 14 1.417 8.747 4.781 101 2HB ARG 14 HB1 ARG 14 3.162 8.784 4.595 102 1HG ARG 14 HG2 ARG 14 3.368 10.507 6.242 103 2HG ARG 14 HG1 ARG 14 1.616 10.705 6.321 104 1HD ARG 14 HD2 ARG 14 1.383 8.447 7.201 105 2HD ARG 14 HD1 ARG 14 3.123 8.201 7.072 106 HE ARG 14 HE ARG 14 3.384 9.946 8.781 107 1HH1 ARG 14 HH11 ARG 14 0.246 8.397 8.456 108 2HH1 ARG 14 HH12 ARG 14 -0.240 8.744 10.086 109 1HH2 ARG 14 HH21 ARG 14 2.764 10.355 10.939 110 2HH2 ARG 14 HH22 ARG 14 1.196 9.863 11.496 111 H ASN 15 HN ASN 15 0.097 10.225 2.187 112 HA ASN 15 HA ASN 15 -1.366 12.452 3.331 113 1HB ASN 15 HB2 ASN 15 -1.432 11.946 0.887 114 2HB ASN 15 HB1 ASN 15 -2.218 10.417 1.247 115 1HD2 ASN 15 HD21 ASN 15 -2.877 13.484 2.866 116 2HD2 ASN 15 HD22 ASN 15 -4.491 13.644 2.266 117 H GLY 16 HN GLY 16 -0.968 9.137 3.839 118 1HA GLY 16 HA2 GLY 16 -1.849 8.415 6.063 119 2HA GLY 16 HA1 GLY 16 -3.404 9.018 5.502 120 H ASP 17 HN ASP 17 -4.257 8.021 3.513 121 HA ASP 17 HA ASP 17 -3.909 5.139 3.602 122 1HB ASP 17 HB2 ASP 17 -5.890 5.082 2.144 123 2HB ASP 17 HB1 ASP 17 -6.184 6.059 3.578 124 H THR 18 HN THR 18 -3.001 7.834 1.691 125 HA THR 18 HA THR 18 -1.757 6.022 -0.257 126 HB THR 18 HB THR 18 -1.965 8.049 -1.858 127 HG1 THR 18 HG1 THR 18 -4.162 8.608 -0.125 128 1HG2 THR 18 HG21 THR 18 -4.176 7.299 -2.618 129 2HG2 THR 18 HG22 THR 18 -4.412 6.455 -1.087 130 3HG2 THR 18 HG23 THR 18 -3.142 5.933 -2.194 131 H ALA 19 HN ALA 19 0.153 7.058 -1.362 132 HA ALA 19 HA ALA 19 1.634 8.694 0.593 133 1HB ALA 19 HB1 ALA 19 2.700 6.738 -1.439 134 2HB ALA 19 HB2 ALA 19 2.614 6.491 0.303 135 3HB ALA 19 HB3 ALA 19 3.683 7.726 -0.361 136 H HIS 20 HN HIS 20 3.059 10.316 -0.242 137 HA HIS 20 HA HIS 20 2.484 11.211 -2.962 138 1HB HIS 20 HB2 HIS 20 0.755 12.308 -1.764 139 2HB HIS 20 HB1 HIS 20 1.818 12.687 -0.416 140 HD1 HIS 20 HD1 HIS 20 1.053 13.762 -3.955 141 HD2 HIS 20 HD2 HIS 20 3.124 15.088 -0.593 142 HE1 HIS 20 HE1 HIS 20 1.774 16.123 -4.476 143 HE2 HIS 20 HE2 HIS 20 2.793 16.969 -2.326 144 H CYS 21 HN CYS 21 4.221 12.096 -3.929 145 HA CYS 21 HA CYS 21 6.660 12.506 -2.456 146 1HB CYS 21 HB2 CYS 21 5.859 12.881 -5.334 147 2HB CYS 21 HB1 CYS 21 7.411 13.460 -4.743 148 H GLU 22 HN GLU 22 6.922 14.234 -1.221 149 HA GLU 22 HA GLU 22 5.506 16.711 -1.774 150 1HB GLU 22 HB2 GLU 22 5.912 17.266 0.414 151 2HB GLU 22 HB1 GLU 22 6.030 15.522 0.546 152 1HG GLU 22 HG2 GLU 22 8.348 17.426 0.302 153 2HG GLU 22 HG1 GLU 22 7.779 16.693 1.792 154 H THR 23 HN THR 23 8.379 15.253 -2.543 155 HA THR 23 HA THR 23 9.991 17.671 -2.753 156 HB THR 23 HB THR 23 10.720 14.825 -3.499 157 HG1 THR 23 HG1 THR 23 10.972 16.195 -0.989 158 1HG2 THR 23 HG21 THR 23 12.412 17.197 -2.693 159 2HG2 THR 23 HG22 THR 23 12.253 16.549 -4.325 160 3HG2 THR 23 HG23 THR 23 13.014 15.581 -3.063 161 H CYS 24 HN CYS 24 7.729 16.061 -4.523 162 HA CYS 24 HA CYS 24 8.661 16.949 -7.108 163 1HB CYS 24 HB2 CYS 24 8.086 14.198 -7.465 164 2HB CYS 24 HB1 CYS 24 9.643 15.003 -7.657 165 H ALA 25 HN ALA 25 6.971 15.611 -8.754 166 HA ALA 25 HA ALA 25 4.322 16.088 -7.562 167 1HB ALA 25 HB1 ALA 25 3.512 16.652 -9.780 168 2HB ALA 25 HB2 ALA 25 5.103 16.323 -10.466 169 3HB ALA 25 HB3 ALA 25 4.886 17.670 -9.348 170 H LYS 26 HN LYS 26 4.702 13.821 -6.803 171 HA LYS 26 HA LYS 26 3.593 11.956 -8.772 172 1HB LYS 26 HB2 LYS 26 5.893 11.284 -6.922 173 2HB LYS 26 HB1 LYS 26 5.109 10.181 -8.042 174 1HG LYS 26 HG2 LYS 26 5.910 11.504 -9.926 175 2HG LYS 26 HG1 LYS 26 6.680 12.633 -8.810 176 1HD LYS 26 HD2 LYS 26 8.348 11.120 -9.640 177 2HD LYS 26 HD1 LYS 26 8.048 10.749 -7.942 178 1HE LYS 26 HE2 LYS 26 8.218 8.707 -9.240 179 2HE LYS 26 HE1 LYS 26 6.584 8.904 -8.608 180 1HZ LYS 26 HZ1 LYS 26 6.621 8.169 -10.932 181 2HZ LYS 26 HZ2 LYS 26 7.427 9.595 -11.374 182 3HZ LYS 26 HZ3 LYS 26 5.848 9.669 -10.756 183 H ASP 27 HN ASP 27 1.983 10.734 -7.965 184 HA ASP 27 HA ASP 27 1.716 10.596 -5.033 185 1HB ASP 27 HB2 ASP 27 -0.472 10.763 -7.117 186 2HB ASP 27 HB1 ASP 27 -0.755 10.396 -5.419 187 H PHE 28 HN PHE 28 1.333 8.620 -4.132 188 HA PHE 28 HA PHE 28 1.508 6.356 -6.013 189 1HB PHE 28 HB2 PHE 28 2.715 6.590 -3.254 190 2HB PHE 28 HB1 PHE 28 2.799 5.170 -4.283 191 HD1 PHE 28 HD2 PHE 28 3.747 5.717 -6.731 192 HD2 PHE 28 HD1 PHE 28 4.547 7.949 -3.198 193 HE1 PHE 28 HE2 PHE 28 5.812 6.579 -7.750 194 HE2 PHE 28 HE1 PHE 28 6.614 8.815 -4.211 195 HZ PHE 28 HZ PHE 28 7.250 8.129 -6.489 196 H SER 29 HN SER 29 -0.107 4.996 -5.966 197 HA SER 29 HA SER 29 -2.092 5.000 -3.902 198 1HB SER 29 HB2 SER 29 -1.685 2.971 -6.115 199 2HB SER 29 HB1 SER 29 -3.174 3.289 -5.223 200 HG SER 29 HG SER 29 -1.838 5.058 -7.008 201 H LEU 30 HN LEU 30 -2.012 3.880 -2.039 202 HA LEU 30 HA LEU 30 0.145 1.923 -1.728 203 1HB LEU 30 HB2 LEU 30 -1.464 3.453 0.311 204 2HB LEU 30 HB1 LEU 30 -0.297 2.214 0.723 205 HG LEU 30 HG LEU 30 0.303 4.832 -0.654 206 1HD1 LEU 30 HD11 LEU 30 0.952 3.824 2.112 207 2HD1 LEU 30 HD12 LEU 30 -0.225 5.075 1.711 208 3HD1 LEU 30 HD13 LEU 30 1.492 5.353 1.420 209 1HD2 LEU 30 HD21 LEU 30 1.783 3.062 -1.450 210 2HD2 LEU 30 HD22 LEU 30 2.157 2.614 0.214 211 3HD2 LEU 30 HD23 LEU 30 2.655 4.188 -0.408 212 H GLN 31 HN GLN 31 -0.293 -0.144 -1.651 213 HA GLN 31 HA GLN 31 -2.997 -0.990 -0.853 214 1HB GLN 31 HB2 GLN 31 -0.933 -2.471 -2.500 215 2HB GLN 31 HB1 GLN 31 -2.494 -3.116 -2.024 216 1HG GLN 31 HG2 GLN 31 -2.029 -0.752 -3.827 217 2HG GLN 31 HG1 GLN 31 -2.508 -2.371 -4.333 218 1HE2 GLN 31 HE21 GLN 31 -4.609 -3.101 -3.826 219 2HE2 GLN 31 HE22 GLN 31 -5.880 -1.989 -3.461 220 H ALA 32 HN ALA 32 -2.787 -1.196 1.321 221 HA ALA 32 HA ALA 32 -0.518 -2.319 2.608 222 1HB ALA 32 HB1 ALA 32 -1.974 -0.816 3.816 223 2HB ALA 32 HB2 ALA 32 -1.985 -2.392 4.610 224 3HB ALA 32 HB3 ALA 32 -3.341 -1.903 3.596 225 H LEU 33 HN LEU 33 0.042 -4.328 1.968 226 HA LEU 33 HA LEU 33 -2.081 -6.346 1.766 227 1HB LEU 33 HB2 LEU 33 0.042 -5.673 0.060 228 2HB LEU 33 HB1 LEU 33 0.491 -7.207 0.780 229 HG LEU 33 HG LEU 33 -1.626 -8.192 0.001 230 1HD1 LEU 33 HD11 LEU 33 -2.050 -5.513 -1.318 231 2HD1 LEU 33 HD12 LEU 33 -2.998 -6.177 0.011 232 3HD1 LEU 33 HD13 LEU 33 -3.034 -6.952 -1.572 233 1HD2 LEU 33 HD21 LEU 33 0.363 -8.369 -1.388 234 2HD2 LEU 33 HD22 LEU 33 -0.016 -6.825 -2.150 235 3HD2 LEU 33 HD23 LEU 33 -1.082 -8.209 -2.386 236 H CYS 34 HN CYS 34 -1.869 -8.333 2.752 237 HA CYS 34 HA CYS 34 0.015 -8.422 4.979 238 1HB CYS 34 HB2 CYS 34 -1.403 -10.362 5.726 239 2HB CYS 34 HB1 CYS 34 -2.247 -8.820 5.643 240 HA PRO 35 HA PRO 35 2.683 -10.743 2.270 241 1HB PRO 35 HB2 PRO 35 4.028 -11.261 4.873 242 2HB PRO 35 HB1 PRO 35 4.700 -10.643 3.361 243 1HG PRO 35 HG2 PRO 35 4.260 -9.008 5.411 244 2HG PRO 35 HG1 PRO 35 3.929 -8.487 3.747 245 1HD PRO 35 HD2 PRO 35 2.019 -9.348 5.880 246 2HD PRO 35 HD1 PRO 35 1.840 -8.075 4.655 247 H ASP 36 HN ASP 36 1.531 -12.070 5.349 248 HA ASP 36 HA ASP 36 2.263 -14.746 4.838 249 1HB ASP 36 HB2 ASP 36 1.740 -13.884 7.094 250 2HB ASP 36 HB1 ASP 36 0.051 -13.710 6.627 251 H CYS 37 HN CYS 37 -1.148 -13.997 5.308 252 HA CYS 37 HA CYS 37 -1.851 -15.717 3.095 253 1HB CYS 37 HB2 CYS 37 -4.178 -15.296 3.803 254 2HB CYS 37 HB1 CYS 37 -3.176 -15.796 5.161 255 H ARG 38 HN ARG 38 -1.044 -14.585 1.304 256 HA ARG 38 HA ARG 38 -1.709 -11.794 0.951 257 1HB ARG 38 HB2 ARG 38 0.521 -12.590 0.329 258 2HB ARG 38 HB1 ARG 38 -0.188 -13.672 -0.864 259 1HG ARG 38 HG2 ARG 38 -1.010 -11.782 -2.137 260 2HG ARG 38 HG1 ARG 38 -0.401 -10.666 -0.914 261 1HD ARG 38 HD2 ARG 38 1.124 -10.737 -2.785 262 2HD ARG 38 HD1 ARG 38 1.886 -11.457 -1.368 263 HE ARG 38 HE ARG 38 0.594 -13.268 -3.265 264 1HH1 ARG 38 HH11 ARG 38 3.534 -11.863 -2.000 265 2HH1 ARG 38 HH12 ARG 38 4.577 -13.073 -2.682 266 1HH2 ARG 38 HH21 ARG 38 1.960 -14.857 -4.213 267 2HH2 ARG 38 HH22 ARG 38 3.675 -14.775 -3.944 268 H GLN 39 HN GLN 39 -3.860 -11.773 0.736 269 HA GLN 39 HA GLN 39 -4.865 -12.262 -1.940 270 1HB GLN 39 HB2 GLN 39 -6.366 -13.192 0.533 271 2HB GLN 39 HB1 GLN 39 -6.946 -13.278 -1.121 272 1HG GLN 39 HG2 GLN 39 -5.341 -14.951 -1.673 273 2HG GLN 39 HG1 GLN 39 -4.526 -14.754 -0.123 274 1HE2 GLN 39 HE21 GLN 39 -8.006 -14.766 -0.477 275 2HE2 GLN 39 HE22 GLN 39 -8.271 -16.279 0.315 276 HA PRO 40 HA PRO 40 -6.670 -8.230 -1.447 277 1HB PRO 40 HB2 PRO 40 -9.340 -9.528 -1.805 278 2HB PRO 40 HB1 PRO 40 -8.676 -8.091 -2.590 279 1HG PRO 40 HG2 PRO 40 -8.762 -10.415 -3.882 280 2HG PRO 40 HG1 PRO 40 -7.372 -9.328 -4.055 281 1HD PRO 40 HD2 PRO 40 -7.600 -11.886 -2.556 282 2HD PRO 40 HD1 PRO 40 -6.191 -11.166 -3.358 283 H LEU 41 HN LEU 41 -6.676 -7.371 0.529 284 HA LEU 41 HA LEU 41 -7.894 -8.657 2.783 285 1HB LEU 41 HB2 LEU 41 -6.431 -6.060 2.402 286 2HB LEU 41 HB1 LEU 41 -7.283 -6.390 3.896 287 HG LEU 41 HG LEU 41 -5.858 -8.497 4.080 288 1HD1 LEU 41 HD11 LEU 41 -4.281 -7.064 1.954 289 2HD1 LEU 41 HD12 LEU 41 -5.060 -8.641 1.809 290 3HD1 LEU 41 HD13 LEU 41 -3.702 -8.424 2.918 291 1HD2 LEU 41 HD21 LEU 41 -5.499 -6.529 5.459 292 2HD2 LEU 41 HD22 LEU 41 -4.508 -5.806 4.192 293 3HD2 LEU 41 HD23 LEU 41 -3.964 -7.272 5.011 294 H GLN 42 HN GLN 42 -9.198 -7.108 4.298 295 HA GLN 42 HA GLN 42 -11.550 -6.325 2.799 296 1HB GLN 42 HB2 GLN 42 -11.052 -6.372 5.785 297 2HB GLN 42 HB1 GLN 42 -12.604 -6.086 5.009 298 1HG GLN 42 HG2 GLN 42 -12.528 -8.337 4.044 299 2HG GLN 42 HG1 GLN 42 -10.987 -8.621 4.851 300 1HE2 GLN 42 HE21 GLN 42 -14.413 -8.306 5.240 301 2HE2 GLN 42 HE22 GLN 42 -14.491 -8.888 6.867 302 H VAL 43 HN VAL 43 -11.948 -4.307 2.219 303 HA VAL 43 HA VAL 43 -10.039 -2.262 2.869 304 HB VAL 43 HB VAL 43 -12.581 -1.991 1.252 305 1HG1 VAL 43 HG11 VAL 43 -10.074 -0.314 1.327 306 2HG1 VAL 43 HG12 VAL 43 -11.651 0.138 1.976 307 3HG1 VAL 43 HG13 VAL 43 -11.440 -0.073 0.238 308 1HG2 VAL 43 HG21 VAL 43 -11.177 -3.747 0.320 309 2HG2 VAL 43 HG22 VAL 43 -9.789 -2.659 0.326 310 3HG2 VAL 43 HG23 VAL 43 -11.168 -2.324 -0.722 311 H LEU 44 HN LEU 44 -10.202 -1.567 4.907 312 HA LEU 44 HA LEU 44 -12.794 -0.925 6.055 313 1HB LEU 44 HB2 LEU 44 -10.024 -0.644 7.229 314 2HB LEU 44 HB1 LEU 44 -11.535 -0.461 8.099 315 HG LEU 44 HG LEU 44 -10.516 -3.018 6.858 316 1HD1 LEU 44 HD11 LEU 44 -10.777 -2.174 9.742 317 2HD1 LEU 44 HD12 LEU 44 -9.269 -2.369 8.847 318 3HD1 LEU 44 HD13 LEU 44 -10.289 -3.771 9.173 319 1HD2 LEU 44 HD21 LEU 44 -12.985 -2.480 8.499 320 2HD2 LEU 44 HD22 LEU 44 -12.419 -4.066 7.978 321 3HD2 LEU 44 HD23 LEU 44 -12.944 -2.880 6.783 322 H LYS 45 HN LYS 45 -13.435 0.828 4.795 323 HA LYS 45 HA LYS 45 -11.766 3.193 4.748 324 1HB LYS 45 HB2 LYS 45 -13.991 4.111 3.639 325 2HB LYS 45 HB1 LYS 45 -12.853 3.119 2.742 326 1HG LYS 45 HG2 LYS 45 -14.302 1.134 3.481 327 2HG LYS 45 HG1 LYS 45 -15.512 2.356 3.884 328 1HD LYS 45 HD2 LYS 45 -15.590 3.131 1.631 329 2HD LYS 45 HD1 LYS 45 -14.180 2.168 1.188 330 1HE LYS 45 HE2 LYS 45 -15.539 0.124 1.752 331 2HE LYS 45 HE1 LYS 45 -16.940 1.186 1.891 332 1HZ LYS 45 HZ1 LYS 45 -15.256 0.943 -0.545 333 2HZ LYS 45 HZ2 LYS 45 -16.701 1.818 -0.398 334 3HZ LYS 45 HZ3 LYS 45 -16.722 0.123 -0.313 335 H ALA 46 HN ALA 46 -11.591 4.176 6.625 336 HA ALA 46 HA ALA 46 -13.790 4.156 8.513 337 1HB ALA 46 HB1 ALA 46 -11.519 3.687 9.295 338 2HB ALA 46 HB2 ALA 46 -12.194 5.112 10.086 339 3HB ALA 46 HB3 ALA 46 -11.012 5.298 8.790 340 H CYS 47 HN CYS 47 -15.224 5.471 7.312 341 HA CYS 47 HA CYS 47 -16.387 7.399 7.048 342 1HB CYS 47 HB2 CYS 47 -14.318 8.644 8.868 343 2HB CYS 47 HB1 CYS 47 -15.938 9.251 8.540 344 HG CYS 47 HG CYS 47 -15.112 7.585 11.063 345 H GLY 48 HN GLY 48 -13.971 6.742 5.356 346 1HA GLY 48 HA2 GLY 48 -14.132 8.485 3.366 347 2HA GLY 48 HA1 GLY 48 -13.134 9.396 4.487 348 H ALA 49 HN ALA 49 -11.240 7.971 5.392 349 HA ALA 49 HA ALA 49 -9.703 7.300 3.038 350 1HB ALA 49 HB1 ALA 49 -7.799 7.196 4.544 351 2HB ALA 49 HB2 ALA 49 -8.874 7.309 5.938 352 3HB ALA 49 HB3 ALA 49 -8.727 8.670 4.825 353 H VAL 50 HN VAL 50 -8.696 5.324 2.624 354 HA VAL 50 HA VAL 50 -10.158 3.052 3.746 355 HB VAL 50 HB VAL 50 -9.311 1.772 1.820 356 1HG1 VAL 50 HG11 VAL 50 -10.577 2.959 0.067 357 2HG1 VAL 50 HG12 VAL 50 -10.637 4.385 1.104 358 3HG1 VAL 50 HG13 VAL 50 -11.440 2.896 1.604 359 1HG2 VAL 50 HG21 VAL 50 -8.044 4.379 0.976 360 2HG2 VAL 50 HG22 VAL 50 -8.140 2.918 -0.006 361 3HG2 VAL 50 HG23 VAL 50 -7.190 2.920 1.479 362 H ASP 51 HN ASP 51 -9.146 1.240 4.567 363 HA ASP 51 HA ASP 51 -6.227 1.167 4.693 364 1HB ASP 51 HB2 ASP 51 -7.326 2.206 6.830 365 2HB ASP 51 HB1 ASP 51 -7.815 0.549 7.173 366 H TYR 52 HN TYR 52 -5.515 -0.887 4.322 367 HA TYR 52 HA TYR 52 -7.577 -2.933 4.017 368 1HB TYR 52 HB2 TYR 52 -4.678 -3.057 3.170 369 2HB TYR 52 HB1 TYR 52 -5.951 -4.181 2.723 370 HD1 TYR 52 HD2 TYR 52 -4.539 -0.848 2.148 371 HD2 TYR 52 HD1 TYR 52 -7.574 -3.608 1.019 372 HE1 TYR 52 HE2 TYR 52 -5.001 0.491 0.140 373 HE2 TYR 52 HE1 TYR 52 -8.041 -2.276 -0.995 374 HH TYR 52 HH TYR 52 -5.958 0.218 -2.064 375 H PHE 53 HN PHE 53 -7.938 -4.238 5.651 376 HA PHE 53 HA PHE 53 -5.721 -5.332 7.219 377 1HB PHE 53 HB2 PHE 53 -6.561 -3.122 8.245 378 2HB PHE 53 HB1 PHE 53 -8.040 -3.997 8.618 379 HD1 PHE 53 HD2 PHE 53 -4.405 -3.873 9.244 380 HD2 PHE 53 HD1 PHE 53 -8.167 -5.432 10.484 381 HE1 PHE 53 HE2 PHE 53 -3.380 -4.676 11.331 382 HE2 PHE 53 HE1 PHE 53 -7.148 -6.234 12.573 383 HZ PHE 53 HZ PHE 53 -4.752 -5.859 12.999 384 H CYS 54 HN CYS 54 -6.092 -7.426 7.599 385 HA CYS 54 HA CYS 54 -8.564 -8.650 6.914 386 1HB CYS 54 HB2 CYS 54 -6.222 -9.783 8.466 387 2HB CYS 54 HB1 CYS 54 -7.497 -10.710 7.689 388 H GLN 55 HN GLN 55 -10.140 -7.694 8.199 389 HA GLN 55 HA GLN 55 -9.804 -7.499 11.055 390 1HB GLN 55 HB2 GLN 55 -10.971 -5.738 9.817 391 2HB GLN 55 HB1 GLN 55 -12.184 -6.896 9.289 392 1HG GLN 55 HG2 GLN 55 -12.854 -7.228 11.632 393 2HG GLN 55 HG1 GLN 55 -11.678 -6.008 12.120 394 1HE2 GLN 55 HE21 GLN 55 -12.087 -3.844 11.689 395 2HE2 GLN 55 HE22 GLN 55 -13.649 -3.279 11.197 396 H ASN 56 HN ASN 56 -11.954 -9.261 8.861 397 HA ASN 56 HA ASN 56 -12.753 -10.980 11.115 398 1HB ASN 56 HB2 ASN 56 -14.130 -10.529 8.455 399 2HB ASN 56 HB1 ASN 56 -14.716 -11.574 9.742 400 1HD2 ASN 56 HD21 ASN 56 -13.929 -9.739 11.867 401 2HD2 ASN 56 HD22 ASN 56 -15.058 -8.428 11.811 402 H GLY 57 HN GLY 57 -12.027 -11.099 7.642 403 1HA GLY 57 HA2 GLY 57 -11.513 -13.966 7.838 404 2HA GLY 57 HA1 GLY 57 -11.601 -13.022 6.357 405 H HIS 58 HN HIS 58 -9.615 -14.803 6.609 406 HA HIS 58 HA HIS 58 -7.379 -14.998 6.223 407 1HB HIS 58 HB2 HIS 58 -7.372 -11.996 6.533 408 2HB HIS 58 HB1 HIS 58 -5.937 -12.936 6.161 409 HD2 HIS 58 HD2 HIS 58 -9.424 -13.293 4.334 410 HE1 HIS 58 HE1 HIS 58 -6.483 -12.028 1.554 411 HE2 HIS 58 HE2 HIS 58 -8.918 -12.547 1.908 412 H GLY 59 HN GLY 59 -7.229 -12.242 8.427 413 1HA GLY 59 HA2 GLY 59 -6.897 -13.129 10.882 414 2HA GLY 59 HA1 GLY 59 -5.436 -13.780 10.142 415 H LEU 60 HN LEU 60 -6.548 -11.294 11.896 416 HA LEU 60 HA LEU 60 -5.558 -8.990 10.650 417 1HB LEU 60 HB2 LEU 60 -5.580 -7.973 12.899 418 2HB LEU 60 HB1 LEU 60 -7.072 -8.797 12.505 419 HG LEU 60 HG LEU 60 -4.970 -10.148 14.179 420 1HD1 LEU 60 HD11 LEU 60 -6.128 -9.322 16.169 421 2HD1 LEU 60 HD12 LEU 60 -7.160 -8.314 15.153 422 3HD1 LEU 60 HD13 LEU 60 -5.426 -7.998 15.237 423 1HD2 LEU 60 HD21 LEU 60 -6.799 -11.520 13.292 424 2HD2 LEU 60 HD22 LEU 60 -7.975 -10.427 14.024 425 3HD2 LEU 60 HD23 LEU 60 -6.894 -11.374 15.046 426 H ILE 61 HN ILE 61 -3.572 -8.991 9.866 427 HA ILE 61 HA ILE 61 -1.308 -9.932 11.396 428 HB ILE 61 HB ILE 61 -1.370 -8.403 8.783 429 1HG1 ILE 61 HG12 ILE 61 -2.520 -10.553 8.575 430 2HG1 ILE 61 HG11 ILE 61 -0.990 -10.582 7.706 431 1HG2 ILE 61 HG21 ILE 61 0.858 -9.969 10.075 432 2HG2 ILE 61 HG22 ILE 61 0.771 -8.215 9.922 433 3HG2 ILE 61 HG23 ILE 61 0.916 -9.221 8.480 434 1HD1 ILE 61 HD11 ILE 61 -1.381 -12.665 8.892 435 2HD1 ILE 61 HD12 ILE 61 -1.493 -11.787 10.418 436 3HD1 ILE 61 HD13 ILE 61 0.032 -11.826 9.533 437 H SER 62 HN SER 62 -0.032 -8.695 12.648 438 HA SER 62 HA SER 62 -0.750 -6.230 13.629 439 1HB SER 62 HB2 SER 62 2.068 -7.304 13.338 440 2HB SER 62 HB1 SER 62 1.554 -6.041 14.455 441 HG SER 62 HG SER 62 0.273 -8.552 14.512 442 H LYS 63 HN LYS 63 -0.368 -4.107 13.084 443 HA LYS 63 HA LYS 63 -0.239 -3.623 10.315 444 1HB LYS 63 HB2 LYS 63 -1.408 -2.267 12.188 445 2HB LYS 63 HB1 LYS 63 0.138 -1.440 12.333 446 1HG LYS 63 HG2 LYS 63 0.021 -0.716 10.037 447 2HG LYS 63 HG1 LYS 63 -1.452 -1.656 9.783 448 1HD LYS 63 HD2 LYS 63 -2.572 -0.269 11.506 449 2HD LYS 63 HD1 LYS 63 -1.113 0.715 11.619 450 1HE LYS 63 HE2 LYS 63 -2.699 1.822 10.187 451 2HE LYS 63 HE1 LYS 63 -1.346 1.256 9.212 452 1HZ LYS 63 HZ1 LYS 63 -3.549 0.848 8.189 453 2HZ LYS 63 HZ2 LYS 63 -3.933 -0.183 9.472 454 3HZ LYS 63 HZ3 LYS 63 -2.662 -0.574 8.435 455 H LYS 64 HN LYS 64 2.269 -3.769 12.686 456 HA LYS 64 HA LYS 64 4.195 -2.299 11.144 457 1HB LYS 64 HB2 LYS 64 4.522 -4.255 13.417 458 2HB LYS 64 HB1 LYS 64 5.874 -3.449 12.637 459 1HG LYS 64 HG2 LYS 64 4.647 -1.270 13.237 460 2HG LYS 64 HG1 LYS 64 3.722 -2.281 14.353 461 1HD LYS 64 HD2 LYS 64 5.825 -3.042 15.379 462 2HD LYS 64 HD1 LYS 64 6.724 -1.990 14.286 463 1HE LYS 64 HE2 LYS 64 6.565 -0.820 16.325 464 2HE LYS 64 HE1 LYS 64 5.390 -0.072 15.245 465 1HZ LYS 64 HZ1 LYS 64 4.517 -0.442 17.487 466 2HZ LYS 64 HZ2 LYS 64 4.745 -2.115 17.304 467 3HZ LYS 64 HZ3 LYS 64 3.633 -1.296 16.320 468 H ARG 65 HN ARG 65 2.832 -5.391 10.903 469 HA ARG 65 HA ARG 65 5.075 -6.396 9.293 470 1HB ARG 65 HB2 ARG 65 2.839 -7.720 10.776 471 2HB ARG 65 HB1 ARG 65 3.574 -8.546 9.410 472 1HG ARG 65 HG2 ARG 65 5.705 -8.570 10.475 473 2HG ARG 65 HG1 ARG 65 5.131 -7.511 11.766 474 1HD ARG 65 HD2 ARG 65 3.810 -9.188 12.713 475 2HD ARG 65 HD1 ARG 65 3.833 -10.162 11.245 476 HE ARG 65 HE ARG 65 5.958 -10.952 11.806 477 1HH1 ARG 65 HH11 ARG 65 4.850 -8.592 14.161 478 2HH1 ARG 65 HH12 ARG 65 5.970 -9.114 15.386 479 1HH2 ARG 65 HH21 ARG 65 7.401 -11.639 13.409 480 2HH2 ARG 65 HH22 ARG 65 7.412 -10.863 14.964 481 H VAL 66 HN VAL 66 2.218 -4.783 8.953 482 HA VAL 66 HA VAL 66 1.258 -6.042 6.559 483 HB VAL 66 HB VAL 66 0.635 -3.302 7.687 484 1HG1 VAL 66 HG11 VAL 66 -0.761 -4.886 5.533 485 2HG1 VAL 66 HG12 VAL 66 0.184 -3.417 5.294 486 3HG1 VAL 66 HG13 VAL 66 -1.320 -3.359 6.214 487 1HG2 VAL 66 HG21 VAL 66 -0.030 -5.108 9.181 488 2HG2 VAL 66 HG22 VAL 66 -0.890 -5.896 7.861 489 3HG2 VAL 66 HG23 VAL 66 -1.443 -4.333 8.462 490 H ASN 67 HN ASN 67 1.961 -5.725 4.547 491 HA ASN 67 HA ASN 67 4.160 -3.834 4.204 492 1HB ASN 67 HB2 ASN 67 4.450 -6.233 3.550 493 2HB ASN 67 HB1 ASN 67 3.220 -6.000 2.313 494 1HD2 ASN 67 HD21 ASN 67 5.589 -3.570 3.185 495 2HD2 ASN 67 HD22 ASN 67 6.464 -3.627 1.698 496 H PHE 68 HN PHE 68 3.296 -1.875 3.829 497 HA PHE 68 HA PHE 68 1.111 -1.424 2.050 498 1HB PHE 68 HB2 PHE 68 3.167 0.418 3.279 499 2HB PHE 68 HB1 PHE 68 1.905 0.993 2.197 500 HD1 PHE 68 HD2 PHE 68 2.332 -0.965 5.356 501 HD2 PHE 68 HD1 PHE 68 -0.097 1.687 3.074 502 HE1 PHE 68 HE2 PHE 68 0.782 -0.757 7.251 503 HE2 PHE 68 HE1 PHE 68 -1.652 1.896 4.969 504 HZ PHE 68 HZ PHE 68 -1.213 0.673 7.060 505 H VAL 69 HN VAL 69 1.400 -2.109 0.019 506 HA VAL 69 HA VAL 69 3.982 -1.700 -1.288 507 HB VAL 69 HB VAL 69 1.561 -3.210 -2.295 508 1HG1 VAL 69 HG11 VAL 69 4.428 -3.221 -3.234 509 2HG1 VAL 69 HG12 VAL 69 3.058 -2.502 -4.080 510 3HG1 VAL 69 HG13 VAL 69 3.137 -4.249 -3.854 511 1HG2 VAL 69 HG21 VAL 69 2.408 -4.217 -0.245 512 2HG2 VAL 69 HG22 VAL 69 4.032 -4.267 -0.930 513 3HG2 VAL 69 HG23 VAL 69 2.745 -5.242 -1.640 514 H ILE 70 HN ILE 70 4.306 -0.074 -2.647 515 HA ILE 70 HA ILE 70 2.199 1.603 -3.609 516 HB ILE 70 HB ILE 70 5.086 1.420 -4.505 517 1HG1 ILE 70 HG12 ILE 70 3.742 3.356 -2.603 518 2HG1 ILE 70 HG11 ILE 70 4.804 2.037 -2.124 519 1HG2 ILE 70 HG21 ILE 70 4.700 3.676 -5.439 520 2HG2 ILE 70 HG22 ILE 70 2.986 3.512 -5.056 521 3HG2 ILE 70 HG23 ILE 70 3.735 2.429 -6.228 522 1HD1 ILE 70 HD11 ILE 70 5.968 4.165 -2.097 523 2HD1 ILE 70 HD12 ILE 70 5.586 4.410 -3.803 524 3HD1 ILE 70 HD13 ILE 70 6.651 3.090 -3.317 525 H SER 71 HN SER 71 0.758 0.510 -4.852 526 HA SER 71 HA SER 71 1.716 -0.570 -7.378 527 1HB SER 71 HB2 SER 71 1.735 -2.486 -5.804 528 2HB SER 71 HB1 SER 71 0.027 -2.210 -5.471 529 HG SER 71 HG SER 71 -0.483 -2.845 -7.504 530 H ASP 72 HN ASP 72 0.592 0.670 -8.723 531 HA ASP 72 HA ASP 72 -2.198 1.258 -8.287 532 1HB ASP 72 HB2 ASP 72 -2.014 2.239 -10.633 533 2HB ASP 72 HB1 ASP 72 -0.992 2.977 -9.407 534 H GLN 73 HN GLN 73 -3.572 -0.372 -8.449 535 HA GLN 73 HA GLN 73 -3.077 -2.430 -10.493 536 1HB GLN 73 HB2 GLN 73 -4.564 -3.839 -8.897 537 2HB GLN 73 HB1 GLN 73 -2.887 -3.542 -8.467 538 1HG GLN 73 HG2 GLN 73 -4.003 -3.177 -6.481 539 2HG GLN 73 HG1 GLN 73 -3.801 -1.551 -7.121 540 1HE2 GLN 73 HE21 GLN 73 -5.504 -0.652 -6.052 541 2HE2 GLN 73 HE22 GLN 73 -7.160 -1.064 -6.361 542 H LEU 74 HN LEU 74 -4.587 0.100 -10.775 543 HA LEU 74 HA LEU 74 -7.365 -0.410 -10.748 544 1HB LEU 74 HB2 LEU 74 -6.350 1.850 -10.809 545 2HB LEU 74 HB1 LEU 74 -5.836 1.552 -12.458 546 HG LEU 74 HG LEU 74 -8.219 1.333 -13.126 547 1HD1 LEU 74 HD11 LEU 74 -9.953 2.098 -11.581 548 2HD1 LEU 74 HD12 LEU 74 -8.751 2.242 -10.299 549 3HD1 LEU 74 HD13 LEU 74 -9.139 0.658 -10.970 550 1HD2 LEU 74 HD21 LEU 74 -8.734 3.723 -12.971 551 2HD2 LEU 74 HD22 LEU 74 -7.048 3.443 -13.406 552 3HD2 LEU 74 HD23 LEU 74 -7.467 3.912 -11.758 553 H GLU 75 HN GLU 75 -4.843 -1.076 -13.064 554 HA GLU 75 HA GLU 75 -6.827 -1.940 -15.059 555 1HB GLU 75 HB2 GLU 75 -5.146 -1.750 -16.701 556 2HB GLU 75 HB1 GLU 75 -4.888 -0.360 -15.658 557 1HG GLU 75 HG2 GLU 75 -3.337 -2.934 -15.465 558 2HG GLU 75 HG1 GLU 75 -2.809 -1.520 -16.370 559 H HIS 76 HN HIS 76 -5.551 -3.207 -12.481 560 HA HIS 76 HA HIS 76 -4.729 -5.169 -11.709 561 1HB HIS 76 HB2 HIS 76 -5.515 -6.281 -14.418 562 2HB HIS 76 HB1 HIS 76 -5.011 -7.241 -13.034 563 HD1 HIS 76 HD1 HIS 76 -7.839 -7.214 -14.602 564 HD2 HIS 76 HD2 HIS 76 -6.999 -5.671 -10.835 565 HE1 HIS 76 HE1 HIS 76 -10.043 -7.149 -13.392 566 HE2 HIS 76 HE2 HIS 76 -9.534 -6.053 -11.175 567 H HIS 77 HN HIS 77 -2.682 -4.305 -11.587 568 HA HIS 77 HA HIS 77 -0.912 -3.975 -13.719 569 1HB HIS 77 HB2 HIS 77 -0.877 -3.380 -11.036 570 2HB HIS 77 HB1 HIS 77 0.362 -4.626 -11.155 571 HD1 HIS 77 HD1 HIS 77 -0.529 -1.264 -12.668 572 HD2 HIS 77 HD2 HIS 77 2.760 -3.759 -12.130 573 HE1 HIS 77 HE1 HIS 77 1.461 0.055 -13.454 574 HE2 HIS 77 HE2 HIS 77 3.403 -1.544 -13.301 575 H HIS 78 HN HIS 78 -0.258 -5.502 -15.022 576 HA HIS 78 HA HIS 78 0.236 -8.205 -13.984 577 1HB HIS 78 HB2 HIS 78 -2.062 -8.044 -14.864 578 2HB HIS 78 HB1 HIS 78 -1.437 -7.451 -16.394 579 HD1 HIS 78 HD1 HIS 78 -1.733 -9.202 -18.064 580 HD2 HIS 78 HD2 HIS 78 -0.580 -10.776 -14.394 581 HE1 HIS 78 HE1 HIS 78 -1.547 -11.685 -18.421 582 HE2 HIS 78 HE2 HIS 78 -1.131 -12.623 -16.122 583 H HIS 79 HN HIS 79 2.238 -8.773 -14.525 584 HA HIS 79 HA HIS 79 3.805 -7.229 -16.331 585 1HB HIS 79 HB2 HIS 79 4.373 -9.885 -14.997 586 2HB HIS 79 HB1 HIS 79 5.558 -8.969 -15.920 587 HD1 HIS 79 HD1 HIS 79 6.789 -7.134 -14.721 588 HD2 HIS 79 HD2 HIS 79 3.566 -8.610 -12.539 589 HE1 HIS 79 HE1 HIS 79 6.981 -6.099 -12.432 590 HE2 HIS 79 HE2 HIS 79 4.941 -6.889 -11.178 591 H HIS 80 HN HIS 80 2.948 -10.675 -16.433 592 HA HIS 80 HA HIS 80 2.304 -10.516 -19.232 593 1HB HIS 80 HB2 HIS 80 4.855 -10.753 -19.105 594 2HB HIS 80 HB1 HIS 80 4.563 -12.371 -18.472 595 HD1 HIS 80 HD1 HIS 80 4.250 -14.182 -20.162 596 HD2 HIS 80 HD2 HIS 80 3.731 -10.385 -21.788 597 HE1 HIS 80 HE1 HIS 80 4.017 -14.527 -22.642 598 HE2 HIS 80 HE2 HIS 80 3.588 -12.232 -23.591 599 H HIS 81 HN HIS 81 2.944 -12.462 -16.385 600 HA HIS 81 HA HIS 81 0.452 -13.897 -16.892 601 1HB HIS 81 HB2 HIS 81 1.378 -16.028 -16.242 602 2HB HIS 81 HB1 HIS 81 2.368 -15.389 -17.547 603 HD1 HIS 81 HD1 HIS 81 2.449 -16.207 -13.900 604 HD2 HIS 81 HD2 HIS 81 5.008 -14.768 -16.845 605 HE1 HIS 81 HE1 HIS 81 4.758 -16.316 -12.907 606 HE2 HIS 81 HE2 HIS 81 6.263 -15.265 -14.636 Start of MODEL 6 1 1H MET 1 HT1 MET 1 12.100 3.035 8.905 2 2H MET 1 HT2 MET 1 13.326 3.944 8.168 3 3H MET 1 HT3 MET 1 13.628 2.342 8.638 4 HA MET 1 HA MET 1 13.331 2.411 6.286 5 1HB MET 1 HB2 MET 1 10.903 1.286 7.701 6 2HB MET 1 HB1 MET 1 11.373 0.896 6.053 7 1HG MET 1 HG2 MET 1 12.045 -0.864 7.550 8 2HG MET 1 HG1 MET 1 13.465 -0.061 6.885 9 1HE MET 1 HE1 MET 1 13.506 -2.005 9.419 10 2HE MET 1 HE2 MET 1 14.589 -1.125 10.497 11 3HE MET 1 HE3 MET 1 14.954 -1.227 8.776 12 H GLU 2 HN GLU 2 13.003 4.183 5.094 13 HA GLU 2 HA GLU 2 10.449 5.606 5.420 14 1HB GLU 2 HB2 GLU 2 13.095 6.591 4.340 15 2HB GLU 2 HB1 GLU 2 11.621 7.545 4.405 16 1HG GLU 2 HG2 GLU 2 12.838 8.244 6.255 17 2HG GLU 2 HG1 GLU 2 11.660 7.116 6.920 18 H ILE 3 HN ILE 3 9.100 5.865 3.750 19 HA ILE 3 HA ILE 3 9.498 4.415 1.320 20 HB ILE 3 HB ILE 3 7.395 6.510 1.896 21 1HG1 ILE 3 HG12 ILE 3 7.222 3.520 2.350 22 2HG1 ILE 3 HG11 ILE 3 7.473 4.706 3.627 23 1HG2 ILE 3 HG21 ILE 3 7.443 4.206 -0.052 24 2HG2 ILE 3 HG22 ILE 3 7.593 5.917 -0.456 25 3HG2 ILE 3 HG23 ILE 3 6.084 5.297 0.215 26 1HD1 ILE 3 HD11 ILE 3 5.313 5.714 3.116 27 2HD1 ILE 3 HD12 ILE 3 5.155 4.004 3.517 28 3HD1 ILE 3 HD13 ILE 3 5.064 4.528 1.836 29 H THR 4 HN THR 4 10.788 5.122 -0.272 30 HA THR 4 HA THR 4 11.185 8.027 -0.546 31 HB THR 4 HB THR 4 13.440 7.471 -1.436 32 HG1 THR 4 HG1 THR 4 12.588 5.150 -1.820 33 1HG2 THR 4 HG21 THR 4 13.163 8.064 0.928 34 2HG2 THR 4 HG22 THR 4 14.452 6.878 0.718 35 3HG2 THR 4 HG23 THR 4 12.875 6.369 1.323 36 H CYS 5 HN CYS 5 10.871 8.941 -2.501 37 HA CYS 5 HA CYS 5 9.937 7.498 -4.755 38 1HB CYS 5 HB2 CYS 5 9.427 9.876 -4.469 39 2HB CYS 5 HB1 CYS 5 11.137 10.279 -4.551 40 HA PRO 6 HA PRO 6 13.676 5.594 -6.034 41 1HB PRO 6 HB2 PRO 6 13.122 5.378 -8.731 42 2HB PRO 6 HB1 PRO 6 12.539 4.271 -7.485 43 1HG PRO 6 HG2 PRO 6 11.145 6.582 -8.772 44 2HG PRO 6 HG1 PRO 6 10.507 4.981 -8.350 45 1HD PRO 6 HD2 PRO 6 9.987 7.123 -6.833 46 2HD PRO 6 HD1 PRO 6 10.278 5.528 -6.104 47 H VAL 7 HN VAL 7 12.613 8.537 -7.614 48 HA VAL 7 HA VAL 7 15.304 8.924 -8.725 49 HB VAL 7 HB VAL 7 13.297 9.208 -10.208 50 1HG1 VAL 7 HG11 VAL 7 11.772 10.236 -8.643 51 2HG1 VAL 7 HG12 VAL 7 12.012 11.293 -10.034 52 3HG1 VAL 7 HG13 VAL 7 12.820 11.648 -8.507 53 1HG2 VAL 7 HG21 VAL 7 15.446 10.210 -10.782 54 2HG2 VAL 7 HG22 VAL 7 15.021 11.657 -9.869 55 3HG2 VAL 7 HG23 VAL 7 14.106 11.225 -11.313 56 H CYS 8 HN CYS 8 13.751 9.553 -5.923 57 HA CYS 8 HA CYS 8 14.951 12.222 -5.615 58 1HB CYS 8 HB2 CYS 8 12.548 10.962 -4.323 59 2HB CYS 8 HB1 CYS 8 13.332 12.380 -3.636 60 H HIS 9 HN HIS 9 14.636 9.049 -4.092 61 HA HIS 9 HA HIS 9 15.561 8.128 -2.225 62 1HB HIS 9 HB2 HIS 9 17.712 10.111 -2.955 63 2HB HIS 9 HB1 HIS 9 17.854 9.096 -1.523 64 HD1 HIS 9 HD1 HIS 9 19.224 9.127 -4.665 65 HD2 HIS 9 HD2 HIS 9 17.082 6.220 -2.596 66 HE1 HIS 9 HE1 HIS 9 19.789 6.942 -5.776 67 HE2 HIS 9 HE2 HIS 9 18.335 5.233 -4.628 68 H HIS 10 HN HIS 10 13.830 10.550 -2.175 69 HA HIS 10 HA HIS 10 14.437 11.591 0.504 70 1HB HIS 10 HB2 HIS 10 12.924 12.677 -1.849 71 2HB HIS 10 HB1 HIS 10 12.485 13.207 -0.233 72 HD1 HIS 10 HD1 HIS 10 15.613 13.087 -2.431 73 HD2 HIS 10 HD2 HIS 10 13.897 15.340 0.618 74 HE1 HIS 10 HE1 HIS 10 17.076 15.111 -2.174 75 HE2 HIS 10 HE2 HIS 10 16.011 16.476 -0.348 76 H ALA 11 HN ALA 11 12.842 11.472 2.103 77 HA ALA 11 HA ALA 11 11.025 9.275 1.874 78 1HB ALA 11 HB1 ALA 11 12.160 9.779 3.984 79 2HB ALA 11 HB2 ALA 11 10.407 9.806 4.174 80 3HB ALA 11 HB3 ALA 11 11.308 11.320 4.076 81 H LEU 12 HN LEU 12 8.930 9.294 1.407 82 HA LEU 12 HA LEU 12 7.781 11.755 0.403 83 1HB LEU 12 HB2 LEU 12 6.507 9.026 0.523 84 2HB LEU 12 HB1 LEU 12 6.078 10.360 -0.533 85 HG LEU 12 HG LEU 12 8.640 8.766 -0.669 86 1HD1 LEU 12 HD11 LEU 12 6.235 8.793 -2.485 87 2HD1 LEU 12 HD12 LEU 12 6.701 7.485 -1.397 88 3HD1 LEU 12 HD13 LEU 12 7.734 7.905 -2.764 89 1HD2 LEU 12 HD21 LEU 12 9.162 10.002 -2.633 90 2HD2 LEU 12 HD22 LEU 12 8.819 11.162 -1.349 91 3HD2 LEU 12 HD23 LEU 12 7.610 10.832 -2.588 92 H GLU 13 HN GLU 13 5.998 12.802 1.224 93 HA GLU 13 HA GLU 13 5.436 12.415 4.001 94 1HB GLU 13 HB2 GLU 13 4.603 14.347 1.912 95 2HB GLU 13 HB1 GLU 13 3.508 14.135 3.271 96 1HG GLU 13 HG2 GLU 13 5.008 15.985 3.668 97 2HG GLU 13 HG1 GLU 13 5.309 14.687 4.819 98 H ARG 14 HN ARG 14 3.943 11.240 4.925 99 HA ARG 14 HA ARG 14 2.126 9.724 3.174 100 1HB ARG 14 HB2 ARG 14 3.891 8.511 4.475 101 2HB ARG 14 HB1 ARG 14 3.120 9.060 5.952 102 1HG ARG 14 HG2 ARG 14 1.133 7.779 5.430 103 2HG ARG 14 HG1 ARG 14 1.838 7.285 3.884 104 1HD ARG 14 HD2 ARG 14 3.641 6.148 5.036 105 2HD ARG 14 HD1 ARG 14 3.033 6.707 6.591 106 HE ARG 14 HE ARG 14 1.309 4.996 4.937 107 1HH1 ARG 14 HH11 ARG 14 3.351 5.389 7.773 108 2HH1 ARG 14 HH12 ARG 14 2.733 3.962 8.562 109 1HH2 ARG 14 HH21 ARG 14 0.518 3.132 5.952 110 2HH2 ARG 14 HH22 ARG 14 1.121 2.685 7.524 111 H ASN 15 HN ASN 15 0.273 10.890 3.124 112 HA ASN 15 HA ASN 15 -0.743 12.190 5.512 113 1HB ASN 15 HB2 ASN 15 -0.944 13.298 3.325 114 2HB ASN 15 HB1 ASN 15 -1.951 11.976 2.742 115 1HD2 ASN 15 HD21 ASN 15 -1.795 14.775 4.791 116 2HD2 ASN 15 HD22 ASN 15 -3.492 14.906 5.086 117 H GLY 16 HN GLY 16 -2.872 10.510 3.275 118 1HA GLY 16 HA2 GLY 16 -3.950 8.957 5.523 119 2HA GLY 16 HA1 GLY 16 -4.747 9.229 3.976 120 H ASP 17 HN ASP 17 -1.690 7.902 5.142 121 HA ASP 17 HA ASP 17 -0.391 6.171 4.507 122 1HB ASP 17 HB2 ASP 17 -2.819 5.044 4.974 123 2HB ASP 17 HB1 ASP 17 -2.550 4.558 3.300 124 H THR 18 HN THR 18 -1.427 8.272 2.577 125 HA THR 18 HA THR 18 -0.529 6.992 0.090 126 HB THR 18 HB THR 18 -1.819 9.714 0.344 127 HG1 THR 18 HG1 THR 18 -2.945 7.297 0.757 128 1HG2 THR 18 HG21 THR 18 -0.658 9.241 -1.765 129 2HG2 THR 18 HG22 THR 18 -2.403 9.345 -2.005 130 3HG2 THR 18 HG23 THR 18 -1.612 7.769 -1.958 131 H ALA 19 HN ALA 19 1.272 7.907 -0.989 132 HA ALA 19 HA ALA 19 2.916 9.521 0.850 133 1HB ALA 19 HB1 ALA 19 4.847 8.376 -0.078 134 2HB ALA 19 HB2 ALA 19 3.802 7.483 -1.182 135 3HB ALA 19 HB3 ALA 19 3.675 7.224 0.558 136 H HIS 20 HN HIS 20 2.905 11.544 0.194 137 HA HIS 20 HA HIS 20 2.820 12.270 -2.608 138 1HB HIS 20 HB2 HIS 20 1.540 13.608 -1.040 139 2HB HIS 20 HB1 HIS 20 2.974 13.919 -0.071 140 HD1 HIS 20 HD1 HIS 20 1.172 15.043 -3.127 141 HD2 HIS 20 HD2 HIS 20 4.719 15.880 -1.121 142 HE1 HIS 20 HE1 HIS 20 2.044 17.169 -4.147 143 HE2 HIS 20 HE2 HIS 20 4.272 17.561 -3.039 144 H CYS 21 HN CYS 21 4.554 12.595 -3.847 145 HA CYS 21 HA CYS 21 7.194 12.621 -2.713 146 1HB CYS 21 HB2 CYS 21 6.867 11.510 -4.837 147 2HB CYS 21 HB1 CYS 21 6.236 12.991 -5.554 148 H GLU 22 HN GLU 22 8.512 14.273 -2.382 149 HA GLU 22 HA GLU 22 7.355 16.801 -1.944 150 1HB GLU 22 HB2 GLU 22 9.994 17.317 -1.687 151 2HB GLU 22 HB1 GLU 22 9.006 16.582 -0.437 152 1HG GLU 22 HG2 GLU 22 11.023 15.340 -0.607 153 2HG GLU 22 HG1 GLU 22 9.723 14.349 -1.258 154 H THR 23 HN THR 23 9.388 15.599 -4.562 155 HA THR 23 HA THR 23 9.570 18.356 -5.576 156 HB THR 23 HB THR 23 11.497 17.421 -6.960 157 HG1 THR 23 HG1 THR 23 11.265 15.239 -6.772 158 1HG2 THR 23 HG21 THR 23 11.725 17.466 -3.946 159 2HG2 THR 23 HG22 THR 23 11.871 18.854 -5.026 160 3HG2 THR 23 HG23 THR 23 13.082 17.570 -5.068 161 H CYS 24 HN CYS 24 8.622 15.083 -6.472 162 HA CYS 24 HA CYS 24 8.352 15.803 -9.255 163 1HB CYS 24 HB2 CYS 24 7.594 13.267 -7.794 164 2HB CYS 24 HB1 CYS 24 7.536 13.483 -9.540 165 H ALA 25 HN ALA 25 6.465 16.231 -6.533 166 HA ALA 25 HA ALA 25 4.297 16.801 -6.139 167 1HB ALA 25 HB1 ALA 25 3.112 18.011 -7.886 168 2HB ALA 25 HB2 ALA 25 4.261 17.430 -9.092 169 3HB ALA 25 HB3 ALA 25 4.798 18.524 -7.818 170 H LYS 26 HN LYS 26 4.906 14.088 -6.742 171 HA LYS 26 HA LYS 26 2.374 13.156 -7.910 172 1HB LYS 26 HB2 LYS 26 4.162 12.748 -9.495 173 2HB LYS 26 HB1 LYS 26 5.164 12.033 -8.244 174 1HG LYS 26 HG2 LYS 26 3.547 10.181 -8.051 175 2HG LYS 26 HG1 LYS 26 2.619 10.891 -9.377 176 1HD LYS 26 HD2 LYS 26 4.480 10.631 -10.884 177 2HD LYS 26 HD1 LYS 26 5.520 10.082 -9.568 178 1HE LYS 26 HE2 LYS 26 4.050 8.126 -9.269 179 2HE LYS 26 HE1 LYS 26 3.087 8.665 -10.645 180 1HZ LYS 26 HZ1 LYS 26 5.975 7.969 -10.747 181 2HZ LYS 26 HZ2 LYS 26 5.008 8.426 -12.065 182 3HZ LYS 26 HZ3 LYS 26 4.706 6.966 -11.262 183 H ASP 27 HN ASP 27 1.203 12.132 -6.381 184 HA ASP 27 HA ASP 27 2.653 10.923 -4.148 185 1HB ASP 27 HB2 ASP 27 0.463 10.857 -2.988 186 2HB ASP 27 HB1 ASP 27 0.948 12.482 -3.449 187 H PHE 28 HN PHE 28 2.381 8.828 -3.534 188 HA PHE 28 HA PHE 28 1.399 7.067 -5.672 189 1HB PHE 28 HB2 PHE 28 3.397 6.519 -3.464 190 2HB PHE 28 HB1 PHE 28 2.905 5.367 -4.699 191 HD1 PHE 28 HD1 PHE 28 4.814 8.425 -4.025 192 HD2 PHE 28 HD2 PHE 28 3.738 5.520 -6.942 193 HE1 PHE 28 HE1 PHE 28 6.609 9.244 -5.496 194 HE2 PHE 28 HE2 PHE 28 5.530 6.332 -8.417 195 HZ PHE 28 HZ PHE 28 6.970 8.196 -7.695 196 H SER 29 HN SER 29 -0.320 5.842 -5.313 197 HA SER 29 HA SER 29 -1.501 5.714 -2.681 198 1HB SER 29 HB2 SER 29 -2.881 5.984 -4.755 199 2HB SER 29 HB1 SER 29 -2.391 4.362 -5.246 200 HG SER 29 HG SER 29 -3.735 4.967 -2.817 201 H LEU 30 HN LEU 30 -1.033 4.194 -1.249 202 HA LEU 30 HA LEU 30 0.429 1.826 -2.155 203 1HB LEU 30 HB2 LEU 30 0.109 2.967 0.627 204 2HB LEU 30 HB1 LEU 30 1.102 1.587 0.195 205 HG LEU 30 HG LEU 30 1.546 4.427 -0.734 206 1HD1 LEU 30 HD11 LEU 30 2.042 4.100 1.636 207 2HD1 LEU 30 HD12 LEU 30 3.514 4.353 0.698 208 3HD1 LEU 30 HD13 LEU 30 3.077 2.731 1.233 209 1HD2 LEU 30 HD21 LEU 30 2.253 2.798 -2.403 210 2HD2 LEU 30 HD22 LEU 30 3.180 1.929 -1.179 211 3HD2 LEU 30 HD23 LEU 30 3.649 3.564 -1.645 212 H GLN 31 HN GLN 31 -0.180 -0.234 -1.529 213 HA GLN 31 HA GLN 31 -2.946 -0.439 -0.542 214 1HB GLN 31 HB2 GLN 31 -2.785 -1.099 -2.886 215 2HB GLN 31 HB1 GLN 31 -1.496 -2.230 -2.503 216 1HG GLN 31 HG2 GLN 31 -2.983 -3.619 -1.265 217 2HG GLN 31 HG1 GLN 31 -4.276 -2.425 -1.374 218 1HE2 GLN 31 HE21 GLN 31 -5.664 -3.895 -2.333 219 2HE2 GLN 31 HE22 GLN 31 -5.483 -4.410 -3.971 220 H ALA 32 HN ALA 32 -3.174 -1.408 1.317 221 HA ALA 32 HA ALA 32 -1.014 -2.675 2.681 222 1HB ALA 32 HB1 ALA 32 -3.930 -2.268 3.288 223 2HB ALA 32 HB2 ALA 32 -2.531 -1.521 4.055 224 3HB ALA 32 HB3 ALA 32 -2.894 -3.223 4.346 225 H LEU 33 HN LEU 33 -0.336 -4.685 2.286 226 HA LEU 33 HA LEU 33 -2.364 -6.750 1.745 227 1HB LEU 33 HB2 LEU 33 -0.805 -6.050 -0.220 228 2HB LEU 33 HB1 LEU 33 0.426 -6.942 0.654 229 HG LEU 33 HG LEU 33 -0.979 -8.971 0.537 230 1HD1 LEU 33 HD11 LEU 33 -2.763 -7.269 -1.200 231 2HD1 LEU 33 HD12 LEU 33 -3.162 -7.885 0.403 232 3HD1 LEU 33 HD13 LEU 33 -2.922 -9.005 -0.938 233 1HD2 LEU 33 HD21 LEU 33 -0.408 -7.659 -2.117 234 2HD2 LEU 33 HD22 LEU 33 -0.658 -9.384 -1.856 235 3HD2 LEU 33 HD23 LEU 33 0.739 -8.578 -1.143 236 H CYS 34 HN CYS 34 -1.551 -8.970 2.336 237 HA CYS 34 HA CYS 34 -0.351 -8.741 4.987 238 1HB CYS 34 HB2 CYS 34 -1.992 -10.871 3.642 239 2HB CYS 34 HB1 CYS 34 -1.189 -11.138 5.182 240 HA PRO 35 HA PRO 35 3.323 -10.887 3.481 241 1HB PRO 35 HB2 PRO 35 4.611 -10.885 5.872 242 2HB PRO 35 HB1 PRO 35 4.583 -9.476 4.805 243 1HG PRO 35 HG2 PRO 35 2.934 -10.052 7.233 244 2HG PRO 35 HG1 PRO 35 3.694 -8.530 6.732 245 1HD PRO 35 HD2 PRO 35 1.053 -9.059 6.365 246 2HD PRO 35 HD1 PRO 35 1.988 -8.014 5.276 247 H ASP 36 HN ASP 36 1.054 -11.620 5.951 248 HA ASP 36 HA ASP 36 2.084 -14.301 6.440 249 1HB ASP 36 HB2 ASP 36 0.442 -14.461 8.168 250 2HB ASP 36 HB1 ASP 36 1.110 -12.835 8.273 251 H CYS 37 HN CYS 37 -0.094 -12.726 4.367 252 HA CYS 37 HA CYS 37 -0.879 -15.136 3.090 253 1HB CYS 37 HB2 CYS 37 -3.401 -14.656 3.415 254 2HB CYS 37 HB1 CYS 37 -2.538 -15.469 4.712 255 H ARG 38 HN ARG 38 -0.101 -14.195 1.218 256 HA ARG 38 HA ARG 38 -0.904 -11.507 0.526 257 1HB ARG 38 HB2 ARG 38 0.935 -13.502 -0.745 258 2HB ARG 38 HB1 ARG 38 0.410 -12.078 -1.631 259 1HG ARG 38 HG2 ARG 38 1.333 -10.641 0.103 260 2HG ARG 38 HG1 ARG 38 1.850 -12.063 1.010 261 1HD ARG 38 HD2 ARG 38 3.493 -12.605 -0.538 262 2HD ARG 38 HD1 ARG 38 2.730 -11.664 -1.821 263 HE ARG 38 HE ARG 38 3.449 -9.653 -0.619 264 1HH1 ARG 38 HH11 ARG 38 5.038 -12.673 0.185 265 2HH1 ARG 38 HH12 ARG 38 6.499 -11.896 0.718 266 1HH2 ARG 38 HH21 ARG 38 5.341 -8.641 0.100 267 2HH2 ARG 38 HH22 ARG 38 6.676 -9.600 0.681 268 H GLN 39 HN GLN 39 -3.147 -12.063 0.530 269 HA GLN 39 HA GLN 39 -4.021 -12.402 -2.239 270 1HB GLN 39 HB2 GLN 39 -5.284 -13.764 0.165 271 2HB GLN 39 HB1 GLN 39 -6.099 -13.575 -1.378 272 1HG GLN 39 HG2 GLN 39 -3.557 -15.113 -0.912 273 2HG GLN 39 HG1 GLN 39 -5.167 -15.807 -1.092 274 1HE2 GLN 39 HE21 GLN 39 -2.835 -16.326 -2.670 275 2HE2 GLN 39 HE22 GLN 39 -3.201 -15.862 -4.299 276 HA PRO 40 HA PRO 40 -6.436 -8.712 -1.508 277 1HB PRO 40 HB2 PRO 40 -8.926 -10.332 -1.820 278 2HB PRO 40 HB1 PRO 40 -8.476 -8.805 -2.585 279 1HG PRO 40 HG2 PRO 40 -8.346 -11.096 -3.939 280 2HG PRO 40 HG1 PRO 40 -7.117 -9.837 -4.153 281 1HD PRO 40 HD2 PRO 40 -6.940 -12.432 -2.706 282 2HD PRO 40 HD1 PRO 40 -5.681 -11.531 -3.574 283 H LEU 41 HN LEU 41 -6.670 -7.858 0.469 284 HA LEU 41 HA LEU 41 -7.449 -9.494 2.714 285 1HB LEU 41 HB2 LEU 41 -7.013 -6.512 2.764 286 2HB LEU 41 HB1 LEU 41 -6.882 -7.642 4.095 287 HG LEU 41 HG LEU 41 -4.945 -7.174 1.845 288 1HD1 LEU 41 HD11 LEU 41 -3.370 -6.898 3.703 289 2HD1 LEU 41 HD12 LEU 41 -4.674 -7.211 4.847 290 3HD1 LEU 41 HD13 LEU 41 -4.727 -5.777 3.822 291 1HD2 LEU 41 HD21 LEU 41 -4.980 -9.504 3.753 292 2HD2 LEU 41 HD22 LEU 41 -3.662 -9.090 2.656 293 3HD2 LEU 41 HD23 LEU 41 -5.229 -9.580 2.009 294 H GLN 42 HN GLN 42 -8.956 -8.178 4.376 295 HA GLN 42 HA GLN 42 -11.487 -7.855 3.000 296 1HB GLN 42 HB2 GLN 42 -10.878 -8.896 5.438 297 2HB GLN 42 HB1 GLN 42 -11.318 -7.257 5.896 298 1HG GLN 42 HG2 GLN 42 -13.020 -9.253 4.427 299 2HG GLN 42 HG1 GLN 42 -13.245 -8.662 6.070 300 1HE2 GLN 42 HE21 GLN 42 -14.092 -6.602 6.393 301 2HE2 GLN 42 HE22 GLN 42 -14.888 -5.720 5.134 302 H VAL 43 HN VAL 43 -12.088 -5.958 2.241 303 HA VAL 43 HA VAL 43 -10.508 -3.625 2.784 304 HB VAL 43 HB VAL 43 -13.050 -3.819 1.152 305 1HG1 VAL 43 HG11 VAL 43 -10.794 -1.822 1.084 306 2HG1 VAL 43 HG12 VAL 43 -12.420 -1.541 1.708 307 3HG1 VAL 43 HG13 VAL 43 -12.176 -1.853 -0.011 308 1HG2 VAL 43 HG21 VAL 43 -11.420 -5.439 0.348 309 2HG2 VAL 43 HG22 VAL 43 -10.192 -4.176 0.258 310 3HG2 VAL 43 HG23 VAL 43 -11.602 -4.113 -0.799 311 H LEU 44 HN LEU 44 -10.794 -2.655 4.669 312 HA LEU 44 HA LEU 44 -13.444 -2.567 5.883 313 1HB LEU 44 HB2 LEU 44 -10.743 -1.787 6.981 314 2HB LEU 44 HB1 LEU 44 -12.243 -1.768 7.887 315 HG LEU 44 HG LEU 44 -10.874 -4.215 6.758 316 1HD1 LEU 44 HD11 LEU 44 -9.749 -3.310 8.709 317 2HD1 LEU 44 HD12 LEU 44 -10.583 -4.808 9.122 318 3HD1 LEU 44 HD13 LEU 44 -11.275 -3.254 9.589 319 1HD2 LEU 44 HD21 LEU 44 -13.415 -3.971 8.365 320 2HD2 LEU 44 HD22 LEU 44 -12.612 -5.478 7.928 321 3HD2 LEU 44 HD23 LEU 44 -13.297 -4.449 6.671 322 H LYS 45 HN LYS 45 -14.619 -0.966 5.074 323 HA LYS 45 HA LYS 45 -13.456 1.662 4.608 324 1HB LYS 45 HB2 LYS 45 -15.094 0.624 3.005 325 2HB LYS 45 HB1 LYS 45 -16.320 0.748 4.257 326 1HG LYS 45 HG2 LYS 45 -15.887 3.229 4.275 327 2HG LYS 45 HG1 LYS 45 -14.910 2.984 2.829 328 1HD LYS 45 HD2 LYS 45 -17.825 2.251 3.109 329 2HD LYS 45 HD1 LYS 45 -17.215 3.701 2.317 330 1HE LYS 45 HE2 LYS 45 -17.624 2.245 0.549 331 2HE LYS 45 HE1 LYS 45 -15.893 2.083 0.821 332 1HZ LYS 45 HZ1 LYS 45 -17.918 0.216 1.940 333 2HZ LYS 45 HZ2 LYS 45 -16.234 0.019 1.937 334 3HZ LYS 45 HZ3 LYS 45 -17.095 -0.048 0.480 335 H ALA 46 HN ALA 46 -13.413 3.140 6.199 336 HA ALA 46 HA ALA 46 -15.052 2.679 8.565 337 1HB ALA 46 HB1 ALA 46 -12.699 3.104 8.930 338 2HB ALA 46 HB2 ALA 46 -13.663 4.412 9.618 339 3HB ALA 46 HB3 ALA 46 -12.820 4.646 8.086 340 H CYS 47 HN CYS 47 -14.107 5.912 7.673 341 HA CYS 47 HA CYS 47 -16.896 6.556 6.995 342 1HB CYS 47 HB2 CYS 47 -15.058 8.265 8.689 343 2HB CYS 47 HB1 CYS 47 -16.720 8.641 8.250 344 HG CYS 47 HG CYS 47 -17.177 7.946 10.750 345 H GLY 48 HN GLY 48 -13.789 8.285 7.196 346 1HA GLY 48 HA2 GLY 48 -14.128 9.006 4.345 347 2HA GLY 48 HA1 GLY 48 -13.397 10.074 5.539 348 H ALA 49 HN ALA 49 -12.844 6.651 5.464 349 HA ALA 49 HA ALA 49 -10.383 6.773 4.005 350 1HB ALA 49 HB1 ALA 49 -9.635 7.731 6.131 351 2HB ALA 49 HB2 ALA 49 -8.911 6.146 5.859 352 3HB ALA 49 HB3 ALA 49 -10.254 6.321 6.989 353 H VAL 50 HN VAL 50 -9.335 4.626 3.933 354 HA VAL 50 HA VAL 50 -11.091 2.417 4.697 355 HB VAL 50 HB VAL 50 -11.662 2.980 2.372 356 1HG1 VAL 50 HG11 VAL 50 -10.035 2.692 0.572 357 2HG1 VAL 50 HG12 VAL 50 -8.767 2.408 1.763 358 3HG1 VAL 50 HG13 VAL 50 -9.559 3.981 1.675 359 1HG2 VAL 50 HG21 VAL 50 -10.132 0.398 2.647 360 2HG2 VAL 50 HG22 VAL 50 -11.300 0.764 1.377 361 3HG2 VAL 50 HG23 VAL 50 -11.826 0.666 3.058 362 H ASP 51 HN ASP 51 -10.022 0.508 5.145 363 HA ASP 51 HA ASP 51 -7.086 0.502 4.873 364 1HB ASP 51 HB2 ASP 51 -7.994 1.104 7.225 365 2HB ASP 51 HB1 ASP 51 -8.499 -0.576 7.318 366 H TYR 52 HN TYR 52 -6.233 -1.779 5.235 367 HA TYR 52 HA TYR 52 -8.174 -3.780 4.259 368 1HB TYR 52 HB2 TYR 52 -5.256 -3.543 3.487 369 2HB TYR 52 HB1 TYR 52 -6.327 -4.849 3.007 370 HD1 TYR 52 HD2 TYR 52 -8.084 -4.466 1.348 371 HD2 TYR 52 HD1 TYR 52 -5.366 -1.381 2.428 372 HE1 TYR 52 HE2 TYR 52 -8.745 -3.195 -0.650 373 HE2 TYR 52 HE1 TYR 52 -6.014 -0.102 0.431 374 HH TYR 52 HH TYR 52 -8.746 -0.824 -1.416 375 H PHE 53 HN PHE 53 -8.531 -5.101 5.951 376 HA PHE 53 HA PHE 53 -6.234 -6.171 7.406 377 1HB PHE 53 HB2 PHE 53 -6.947 -3.968 8.476 378 2HB PHE 53 HB1 PHE 53 -8.430 -4.791 8.946 379 HD1 PHE 53 HD1 PHE 53 -4.758 -4.829 9.305 380 HD2 PHE 53 HD2 PHE 53 -8.492 -6.189 10.835 381 HE1 PHE 53 HE1 PHE 53 -3.624 -5.686 11.316 382 HE2 PHE 53 HE2 PHE 53 -7.362 -7.049 12.844 383 HZ PHE 53 HZ PHE 53 -4.928 -6.796 13.088 384 H CYS 54 HN CYS 54 -6.563 -8.193 8.107 385 HA CYS 54 HA CYS 54 -9.016 -9.526 7.465 386 1HB CYS 54 HB2 CYS 54 -6.690 -10.617 9.047 387 2HB CYS 54 HB1 CYS 54 -7.897 -11.529 8.152 388 H GLN 55 HN GLN 55 -10.725 -9.019 8.814 389 HA GLN 55 HA GLN 55 -10.369 -9.157 11.676 390 1HB GLN 55 HB2 GLN 55 -12.878 -9.000 9.995 391 2HB GLN 55 HB1 GLN 55 -12.869 -9.017 11.753 392 1HG GLN 55 HG2 GLN 55 -11.387 -6.972 11.634 393 2HG GLN 55 HG1 GLN 55 -11.777 -6.909 9.917 394 1HE2 GLN 55 HE21 GLN 55 -14.043 -7.957 12.366 395 2HE2 GLN 55 HE22 GLN 55 -15.099 -6.588 12.251 396 H ASN 56 HN ASN 56 -12.031 -11.113 9.217 397 HA ASN 56 HA ASN 56 -11.191 -13.520 10.615 398 1HB ASN 56 HB2 ASN 56 -14.091 -12.868 10.048 399 2HB ASN 56 HB1 ASN 56 -13.519 -14.500 10.365 400 1HD2 ASN 56 HD21 ASN 56 -12.844 -15.048 12.439 401 2HD2 ASN 56 HD22 ASN 56 -13.223 -14.069 13.817 402 H GLY 57 HN GLY 57 -10.892 -15.257 9.266 403 1HA GLY 57 HA2 GLY 57 -11.124 -16.571 7.368 404 2HA GLY 57 HA1 GLY 57 -12.154 -15.335 6.671 405 H HIS 58 HN HIS 58 -8.802 -15.051 7.841 406 HA HIS 58 HA HIS 58 -7.637 -15.297 5.265 407 1HB HIS 58 HB2 HIS 58 -8.819 -12.923 5.331 408 2HB HIS 58 HB1 HIS 58 -7.371 -12.476 6.231 409 HD2 HIS 58 HD2 HIS 58 -8.135 -14.095 2.702 410 HE1 HIS 58 HE1 HIS 58 -4.595 -11.778 2.462 411 HE2 HIS 58 HE2 HIS 58 -6.365 -13.012 1.168 412 H GLY 59 HN GLY 59 -7.006 -13.183 8.075 413 1HA GLY 59 HA2 GLY 59 -5.518 -14.519 9.752 414 2HA GLY 59 HA1 GLY 59 -4.403 -14.500 8.392 415 H LEU 60 HN LEU 60 -5.652 -12.791 11.051 416 HA LEU 60 HA LEU 60 -5.198 -10.125 10.289 417 1HB LEU 60 HB2 LEU 60 -5.494 -9.537 12.543 418 2HB LEU 60 HB1 LEU 60 -6.514 -10.938 12.288 419 HG LEU 60 HG LEU 60 -3.777 -11.123 13.544 420 1HD1 LEU 60 HD11 LEU 60 -4.937 -11.220 15.699 421 2HD1 LEU 60 HD12 LEU 60 -6.458 -10.840 14.890 422 3HD1 LEU 60 HD13 LEU 60 -5.147 -9.659 14.907 423 1HD2 LEU 60 HD21 LEU 60 -4.638 -13.212 12.647 424 2HD2 LEU 60 HD22 LEU 60 -6.148 -12.986 13.530 425 3HD2 LEU 60 HD23 LEU 60 -4.641 -13.248 14.410 426 H ILE 61 HN ILE 61 -3.547 -8.685 10.806 427 HA ILE 61 HA ILE 61 -0.937 -9.902 11.425 428 HB ILE 61 HB ILE 61 -0.797 -7.537 9.699 429 1HG1 ILE 61 HG12 ILE 61 -1.227 -9.019 7.612 430 2HG1 ILE 61 HG11 ILE 61 -2.182 -10.019 8.701 431 1HG2 ILE 61 HG21 ILE 61 0.890 -8.888 8.550 432 2HG2 ILE 61 HG22 ILE 61 0.435 -10.282 9.531 433 3HG2 ILE 61 HG23 ILE 61 1.140 -8.857 10.295 434 1HD1 ILE 61 HD11 ILE 61 -3.612 -8.489 7.506 435 2HD1 ILE 61 HD12 ILE 61 -2.654 -7.113 8.061 436 3HD1 ILE 61 HD13 ILE 61 -3.586 -8.062 9.218 437 H SER 62 HN SER 62 0.615 -8.374 12.363 438 HA SER 62 HA SER 62 -0.479 -6.240 13.913 439 1HB SER 62 HB2 SER 62 2.417 -6.593 13.082 440 2HB SER 62 HB1 SER 62 1.806 -5.737 14.499 441 HG SER 62 HG SER 62 1.794 -8.531 13.994 442 H LYS 63 HN LYS 63 -1.147 -4.308 13.081 443 HA LYS 63 HA LYS 63 -0.845 -3.989 10.261 444 1HB LYS 63 HB2 LYS 63 -2.518 -2.374 10.347 445 2HB LYS 63 HB1 LYS 63 -2.932 -3.505 11.623 446 1HG LYS 63 HG2 LYS 63 -1.812 -1.901 13.224 447 2HG LYS 63 HG1 LYS 63 -1.786 -0.743 11.891 448 1HD LYS 63 HD2 LYS 63 -4.165 -1.968 13.263 449 2HD LYS 63 HD1 LYS 63 -3.754 -0.262 13.098 450 1HE LYS 63 HE2 LYS 63 -4.470 -2.060 10.783 451 2HE LYS 63 HE1 LYS 63 -5.635 -1.053 11.636 452 1HZ LYS 63 HZ1 LYS 63 -4.805 -0.032 9.584 453 2HZ LYS 63 HZ2 LYS 63 -3.227 -0.028 10.220 454 3HZ LYS 63 HZ3 LYS 63 -4.442 0.899 10.952 455 H LYS 64 HN LYS 64 1.190 -3.133 12.677 456 HA LYS 64 HA LYS 64 2.254 -0.739 11.478 457 1HB LYS 64 HB2 LYS 64 3.515 -2.696 13.411 458 2HB LYS 64 HB1 LYS 64 4.209 -1.153 12.944 459 1HG LYS 64 HG2 LYS 64 2.330 0.013 13.967 460 2HG LYS 64 HG1 LYS 64 1.619 -1.540 14.426 461 1HD LYS 64 HD2 LYS 64 3.619 -2.043 15.763 462 2HD LYS 64 HD1 LYS 64 4.297 -0.474 15.326 463 1HE LYS 64 HE2 LYS 64 2.468 0.656 16.443 464 2HE LYS 64 HE1 LYS 64 1.710 -0.892 16.815 465 1HZ LYS 64 HZ1 LYS 64 3.709 -1.460 18.121 466 2HZ LYS 64 HZ2 LYS 64 2.881 -0.111 18.732 467 3HZ LYS 64 HZ3 LYS 64 4.310 0.102 17.851 468 H ARG 65 HN ARG 65 2.452 -4.121 10.937 469 HA ARG 65 HA ARG 65 4.894 -3.804 9.317 470 1HB ARG 65 HB2 ARG 65 5.072 -5.216 11.404 471 2HB ARG 65 HB1 ARG 65 3.935 -6.332 10.664 472 1HG ARG 65 HG2 ARG 65 5.519 -6.680 8.812 473 2HG ARG 65 HG1 ARG 65 6.669 -5.614 9.624 474 1HD ARG 65 HD2 ARG 65 6.791 -7.109 11.509 475 2HD ARG 65 HD1 ARG 65 5.528 -8.132 10.824 476 HE ARG 65 HE ARG 65 7.689 -7.904 9.010 477 1HH1 ARG 65 HH11 ARG 65 6.836 -9.427 12.049 478 2HH1 ARG 65 HH12 ARG 65 7.905 -10.775 11.815 479 1HH2 ARG 65 HH21 ARG 65 9.090 -9.660 8.707 480 2HH2 ARG 65 HH22 ARG 65 9.192 -10.901 9.921 481 H VAL 66 HN VAL 66 2.061 -3.464 8.532 482 HA VAL 66 HA VAL 66 1.278 -5.640 6.878 483 HB VAL 66 HB VAL 66 0.647 -2.707 6.473 484 1HG1 VAL 66 HG11 VAL 66 -0.808 -5.186 5.569 485 2HG1 VAL 66 HG12 VAL 66 0.133 -4.100 4.543 486 3HG1 VAL 66 HG13 VAL 66 -1.338 -3.524 5.324 487 1HG2 VAL 66 HG21 VAL 66 0.015 -3.318 8.702 488 2HG2 VAL 66 HG22 VAL 66 -0.777 -4.785 8.124 489 3HG2 VAL 66 HG23 VAL 66 -1.439 -3.200 7.711 490 H ASN 67 HN ASN 67 1.683 -6.005 4.686 491 HA ASN 67 HA ASN 67 4.152 -4.869 3.713 492 1HB ASN 67 HB2 ASN 67 3.583 -7.292 3.417 493 2HB ASN 67 HB1 ASN 67 2.299 -6.813 2.313 494 1HD2 ASN 67 HD21 ASN 67 5.402 -5.194 2.481 495 2HD2 ASN 67 HD22 ASN 67 5.964 -5.712 0.933 496 H PHE 68 HN PHE 68 3.487 -2.698 3.532 497 HA PHE 68 HA PHE 68 1.380 -1.942 1.747 498 1HB PHE 68 HB2 PHE 68 3.593 -0.318 3.016 499 2HB PHE 68 HB1 PHE 68 2.281 0.367 2.064 500 HD1 PHE 68 HD1 PHE 68 -0.113 -0.103 2.884 501 HD2 PHE 68 HD2 PHE 68 3.355 -0.589 5.300 502 HE1 PHE 68 HE1 PHE 68 -1.502 0.061 4.906 503 HE2 PHE 68 HE2 PHE 68 1.972 -0.430 7.328 504 HZ PHE 68 HZ PHE 68 -0.462 -0.103 7.133 505 H VAL 69 HN VAL 69 1.636 -2.494 -0.313 506 HA VAL 69 HA VAL 69 4.211 -1.895 -1.602 507 HB VAL 69 HB VAL 69 3.440 -3.355 -3.451 508 1HG1 VAL 69 HG11 VAL 69 3.409 -4.656 -0.730 509 2HG1 VAL 69 HG12 VAL 69 4.839 -4.278 -1.689 510 3HG1 VAL 69 HG13 VAL 69 3.688 -5.486 -2.262 511 1HG2 VAL 69 HG21 VAL 69 1.486 -4.811 -3.111 512 2HG2 VAL 69 HG22 VAL 69 1.037 -3.108 -3.187 513 3HG2 VAL 69 HG23 VAL 69 1.100 -3.932 -1.630 514 H ILE 70 HN ILE 70 4.219 -0.783 -3.615 515 HA ILE 70 HA ILE 70 2.257 1.262 -3.875 516 HB ILE 70 HB ILE 70 4.362 0.374 -5.864 517 1HG1 ILE 70 HG12 ILE 70 4.362 2.601 -3.813 518 2HG1 ILE 70 HG11 ILE 70 5.312 1.122 -3.729 519 1HG2 ILE 70 HG21 ILE 70 2.735 2.912 -5.762 520 2HG2 ILE 70 HG22 ILE 70 2.556 1.614 -6.940 521 3HG2 ILE 70 HG23 ILE 70 4.037 2.569 -6.899 522 1HD1 ILE 70 HD11 ILE 70 6.558 1.808 -5.706 523 2HD1 ILE 70 HD12 ILE 70 6.662 3.020 -4.427 524 3HD1 ILE 70 HD13 ILE 70 5.594 3.280 -5.806 525 H SER 71 HN SER 71 0.355 1.183 -4.883 526 HA SER 71 HA SER 71 -0.596 -1.339 -5.779 527 1HB SER 71 HB2 SER 71 -1.923 0.458 -4.551 528 2HB SER 71 HB1 SER 71 -2.016 1.309 -6.090 529 HG SER 71 HG SER 71 -2.974 -1.310 -5.545 530 H ASP 72 HN ASP 72 0.422 -2.011 -7.615 531 HA ASP 72 HA ASP 72 0.502 -0.366 -9.983 532 1HB ASP 72 HB2 ASP 72 1.043 -3.327 -9.616 533 2HB ASP 72 HB1 ASP 72 1.298 -2.442 -11.113 534 H GLN 73 HN GLN 73 -0.722 -0.724 -11.885 535 HA GLN 73 HA GLN 73 -3.328 -1.933 -11.364 536 1HB GLN 73 HB2 GLN 73 -2.333 -0.247 -13.668 537 2HB GLN 73 HB1 GLN 73 -3.971 -0.873 -13.530 538 1HG GLN 73 HG2 GLN 73 -4.221 0.370 -11.405 539 2HG GLN 73 HG1 GLN 73 -2.623 1.065 -11.664 540 1HE2 GLN 73 HE21 GLN 73 -2.344 2.608 -13.259 541 2HE2 GLN 73 HE22 GLN 73 -3.676 3.429 -14.000 542 H LEU 74 HN LEU 74 -0.471 -3.038 -12.311 543 HA LEU 74 HA LEU 74 -1.320 -4.735 -14.496 544 1HB LEU 74 HB2 LEU 74 1.220 -4.779 -12.857 545 2HB LEU 74 HB1 LEU 74 0.925 -5.731 -14.300 546 HG LEU 74 HG LEU 74 1.081 -2.715 -14.193 547 1HD1 LEU 74 HD11 LEU 74 3.168 -3.012 -15.437 548 2HD1 LEU 74 HD12 LEU 74 3.013 -4.761 -15.274 549 3HD1 LEU 74 HD13 LEU 74 3.247 -3.760 -13.840 550 1HD2 LEU 74 HD21 LEU 74 0.797 -4.590 -16.540 551 2HD2 LEU 74 HD22 LEU 74 1.025 -2.844 -16.635 552 3HD2 LEU 74 HD23 LEU 74 -0.449 -3.504 -15.925 553 H GLU 75 HN GLU 75 -3.137 -5.561 -13.244 554 HA GLU 75 HA GLU 75 -2.741 -7.178 -10.926 555 1HB GLU 75 HB2 GLU 75 -5.091 -7.248 -12.821 556 2HB GLU 75 HB1 GLU 75 -5.072 -7.709 -11.124 557 1HG GLU 75 HG2 GLU 75 -4.946 -5.483 -10.408 558 2HG GLU 75 HG1 GLU 75 -4.487 -4.905 -12.012 559 H HIS 76 HN HIS 76 -3.664 -7.953 -14.262 560 HA HIS 76 HA HIS 76 -3.174 -10.764 -13.827 561 1HB HIS 76 HB2 HIS 76 -4.033 -9.222 -16.283 562 2HB HIS 76 HB1 HIS 76 -3.835 -10.972 -16.239 563 HD1 HIS 76 HD1 HIS 76 -6.096 -8.217 -15.097 564 HD2 HIS 76 HD2 HIS 76 -5.841 -12.367 -14.845 565 HE1 HIS 76 HE1 HIS 76 -8.331 -8.988 -14.241 566 HE2 HIS 76 HE2 HIS 76 -8.213 -11.504 -14.257 567 H HIS 77 HN HIS 77 -1.178 -11.425 -13.748 568 HA HIS 77 HA HIS 77 0.962 -9.968 -15.022 569 1HB HIS 77 HB2 HIS 77 0.978 -11.075 -12.696 570 2HB HIS 77 HB1 HIS 77 1.214 -12.591 -13.556 571 HD1 HIS 77 HD1 HIS 77 2.949 -9.403 -12.646 572 HD2 HIS 77 HD2 HIS 77 3.762 -12.959 -14.648 573 HE1 HIS 77 HE1 HIS 77 5.448 -9.459 -12.947 574 HE2 HIS 77 HE2 HIS 77 5.903 -11.563 -14.263 575 H HIS 78 HN HIS 78 -1.063 -12.571 -15.827 576 HA HIS 78 HA HIS 78 0.752 -13.394 -17.999 577 1HB HIS 78 HB2 HIS 78 0.099 -15.268 -16.581 578 2HB HIS 78 HB1 HIS 78 -1.601 -14.853 -16.761 579 HD1 HIS 78 HD1 HIS 78 1.213 -16.605 -18.462 580 HD2 HIS 78 HD2 HIS 78 -2.740 -15.565 -19.259 581 HE1 HIS 78 HE1 HIS 78 0.549 -17.943 -20.489 582 HE2 HIS 78 HE2 HIS 78 -1.820 -17.244 -21.004 583 H HIS 79 HN HIS 79 0.195 -12.912 -20.050 584 HA HIS 79 HA HIS 79 -2.565 -11.982 -20.503 585 1HB HIS 79 HB2 HIS 79 0.031 -10.955 -21.629 586 2HB HIS 79 HB1 HIS 79 -1.507 -10.647 -22.425 587 HD1 HIS 79 HD1 HIS 79 0.703 -9.327 -19.867 588 HD2 HIS 79 HD2 HIS 79 -3.367 -9.173 -20.710 589 HE1 HIS 79 HE1 HIS 79 -0.194 -7.388 -18.540 590 HE2 HIS 79 HE2 HIS 79 -2.585 -7.152 -19.298 591 H HIS 80 HN HIS 80 0.127 -12.797 -22.685 592 HA HIS 80 HA HIS 80 -1.287 -15.083 -23.739 593 1HB HIS 80 HB2 HIS 80 -2.413 -13.108 -24.809 594 2HB HIS 80 HB1 HIS 80 -0.862 -12.663 -25.510 595 HD1 HIS 80 HD1 HIS 80 0.091 -14.291 -27.384 596 HD2 HIS 80 HD2 HIS 80 -3.808 -15.061 -26.146 597 HE1 HIS 80 HE1 HIS 80 -0.900 -15.787 -29.144 598 HE2 HIS 80 HE2 HIS 80 -3.301 -16.122 -28.452 599 H HIS 81 HN HIS 81 0.121 -16.477 -24.728 600 HA HIS 81 HA HIS 81 2.874 -15.532 -25.104 601 1HB HIS 81 HB2 HIS 81 2.464 -17.617 -23.753 602 2HB HIS 81 HB1 HIS 81 1.833 -18.377 -25.208 603 HD1 HIS 81 HD1 HIS 81 4.974 -17.585 -23.441 604 HD2 HIS 81 HD2 HIS 81 3.830 -18.870 -27.228 605 HE1 HIS 81 HE1 HIS 81 7.069 -18.455 -24.525 606 HE2 HIS 81 HE2 HIS 81 6.328 -19.361 -26.758 Start of MODEL 7 1 1H MET 1 HT1 MET 1 10.765 0.042 8.335 2 2H MET 1 HT2 MET 1 12.402 -0.330 8.547 3 3H MET 1 HT3 MET 1 11.624 -0.740 7.100 4 HA MET 1 HA MET 1 12.283 1.962 8.104 5 1HB MET 1 HB2 MET 1 13.082 0.461 5.599 6 2HB MET 1 HB1 MET 1 13.503 2.132 5.947 7 1HG MET 1 HG2 MET 1 14.745 1.382 7.933 8 2HG MET 1 HG1 MET 1 14.361 -0.288 7.517 9 1HE MET 1 HE1 MET 1 14.578 -0.159 4.306 10 2HE MET 1 HE2 MET 1 15.205 -1.482 5.289 11 3HE MET 1 HE3 MET 1 16.242 -0.707 4.092 12 H GLU 2 HN GLU 2 11.958 3.511 6.067 13 HA GLU 2 HA GLU 2 9.086 3.378 5.571 14 1HB GLU 2 HB2 GLU 2 10.330 5.399 6.591 15 2HB GLU 2 HB1 GLU 2 10.887 5.712 4.953 16 1HG GLU 2 HG2 GLU 2 8.909 7.035 5.572 17 2HG GLU 2 HG1 GLU 2 8.626 5.984 4.183 18 H ILE 3 HN ILE 3 8.246 4.001 3.456 19 HA ILE 3 HA ILE 3 9.555 2.594 1.345 20 HB ILE 3 HB ILE 3 7.142 4.427 1.191 21 1HG1 ILE 3 HG12 ILE 3 5.981 2.102 0.957 22 2HG1 ILE 3 HG11 ILE 3 7.436 1.479 1.723 23 1HG2 ILE 3 HG21 ILE 3 6.648 3.285 -0.917 24 2HG2 ILE 3 HG22 ILE 3 8.146 2.368 -0.771 25 3HG2 ILE 3 HG23 ILE 3 8.202 4.118 -0.983 26 1HD1 ILE 3 HD11 ILE 3 7.019 2.945 3.649 27 2HD1 ILE 3 HD12 ILE 3 5.698 1.814 3.357 28 3HD1 ILE 3 HD13 ILE 3 5.534 3.503 2.880 29 H THR 4 HN THR 4 10.589 3.401 -0.468 30 HA THR 4 HA THR 4 11.189 6.279 -0.432 31 HB THR 4 HB THR 4 13.412 5.501 -1.535 32 HG1 THR 4 HG1 THR 4 13.151 3.208 0.056 33 1HG2 THR 4 HG21 THR 4 13.263 6.586 0.657 34 2HG2 THR 4 HG22 THR 4 14.477 5.307 0.658 35 3HG2 THR 4 HG23 THR 4 12.904 5.028 1.405 36 H CYS 5 HN CYS 5 11.038 7.364 -2.310 37 HA CYS 5 HA CYS 5 9.586 6.288 -4.469 38 1HB CYS 5 HB2 CYS 5 9.531 8.669 -3.845 39 2HB CYS 5 HB1 CYS 5 11.219 8.834 -4.303 40 HA PRO 6 HA PRO 6 12.662 4.199 -6.860 41 1HB PRO 6 HB2 PRO 6 11.178 5.255 -9.209 42 2HB PRO 6 HB1 PRO 6 11.599 3.590 -8.794 43 1HG PRO 6 HG2 PRO 6 9.105 4.464 -8.509 44 2HG PRO 6 HG1 PRO 6 9.829 3.369 -7.315 45 1HD PRO 6 HD2 PRO 6 9.367 6.319 -7.149 46 2HD PRO 6 HD1 PRO 6 9.197 5.079 -5.890 47 H VAL 7 HN VAL 7 11.835 7.524 -7.663 48 HA VAL 7 HA VAL 7 14.278 7.880 -9.200 49 HB VAL 7 HB VAL 7 12.171 9.922 -8.451 50 1HG1 VAL 7 HG11 VAL 7 13.153 11.278 -10.237 51 2HG1 VAL 7 HG12 VAL 7 14.397 10.054 -10.482 52 3HG1 VAL 7 HG13 VAL 7 14.323 10.943 -8.961 53 1HG2 VAL 7 HG21 VAL 7 12.542 8.371 -11.013 54 2HG2 VAL 7 HG22 VAL 7 11.363 9.657 -10.749 55 3HG2 VAL 7 HG23 VAL 7 11.241 8.148 -9.842 56 H CYS 8 HN CYS 8 12.763 9.367 -6.363 57 HA CYS 8 HA CYS 8 15.426 10.120 -5.388 58 1HB CYS 8 HB2 CYS 8 13.780 11.494 -3.760 59 2HB CYS 8 HB1 CYS 8 14.288 12.116 -5.331 60 H HIS 9 HN HIS 9 15.808 7.951 -4.642 61 HA HIS 9 HA HIS 9 14.268 6.843 -2.517 62 1HB HIS 9 HB2 HIS 9 17.115 6.343 -3.401 63 2HB HIS 9 HB1 HIS 9 16.364 5.482 -2.063 64 HD1 HIS 9 HD1 HIS 9 16.894 5.274 -5.619 65 HD2 HIS 9 HD2 HIS 9 13.961 3.996 -2.960 66 HE1 HIS 9 HE1 HIS 9 15.614 3.471 -6.829 67 HE2 HIS 9 HE2 HIS 9 13.783 2.785 -5.236 68 H HIS 10 HN HIS 10 13.953 8.750 -1.314 69 HA HIS 10 HA HIS 10 16.222 9.510 0.396 70 1HB HIS 10 HB2 HIS 10 15.439 11.224 -1.332 71 2HB HIS 10 HB1 HIS 10 13.949 11.328 -0.410 72 HD1 HIS 10 HD1 HIS 10 13.946 12.831 1.622 73 HD2 HIS 10 HD2 HIS 10 17.739 12.227 0.023 74 HE1 HIS 10 HE1 HIS 10 15.451 14.470 2.795 75 HE2 HIS 10 HE2 HIS 10 17.717 14.171 1.728 76 H ALA 11 HN ALA 11 12.775 10.179 0.330 77 HA ALA 11 HA ALA 11 12.002 8.386 2.345 78 1HB ALA 11 HB1 ALA 11 13.274 9.865 3.828 79 2HB ALA 11 HB2 ALA 11 11.547 9.946 4.179 80 3HB ALA 11 HB3 ALA 11 12.325 11.245 3.274 81 H LEU 12 HN LEU 12 9.781 8.278 2.435 82 HA LEU 12 HA LEU 12 8.332 10.284 0.847 83 1HB LEU 12 HB2 LEU 12 7.861 7.345 1.250 84 2HB LEU 12 HB1 LEU 12 6.580 8.406 0.698 85 HG LEU 12 HG LEU 12 9.217 8.047 -0.723 86 1HD1 LEU 12 HD11 LEU 12 6.507 6.874 -1.336 87 2HD1 LEU 12 HD12 LEU 12 7.923 5.983 -0.778 88 3HD1 LEU 12 HD13 LEU 12 7.936 6.757 -2.362 89 1HD2 LEU 12 HD21 LEU 12 6.661 9.409 -1.543 90 2HD2 LEU 12 HD22 LEU 12 8.089 9.192 -2.558 91 3HD2 LEU 12 HD23 LEU 12 8.177 10.206 -1.117 92 H GLU 13 HN GLU 13 6.419 11.107 1.597 93 HA GLU 13 HA GLU 13 6.080 11.025 4.479 94 1HB GLU 13 HB2 GLU 13 4.612 12.618 2.366 95 2HB GLU 13 HB1 GLU 13 4.496 12.859 4.104 96 1HG GLU 13 HG2 GLU 13 6.595 13.802 4.248 97 2HG GLU 13 HG1 GLU 13 7.150 13.048 2.753 98 H ARG 14 HN ARG 14 5.268 8.914 4.752 99 HA ARG 14 HA ARG 14 2.827 8.180 3.385 100 1HB ARG 14 HB2 ARG 14 4.479 6.438 3.813 101 2HB ARG 14 HB1 ARG 14 4.391 6.750 5.542 102 1HG ARG 14 HG2 ARG 14 2.133 5.947 5.635 103 2HG ARG 14 HG1 ARG 14 2.069 5.800 3.878 104 1HD ARG 14 HD2 ARG 14 2.404 3.636 5.042 105 2HD ARG 14 HD1 ARG 14 3.697 4.033 3.912 106 HE ARG 14 HE ARG 14 5.115 4.544 5.772 107 1HH1 ARG 14 HH11 ARG 14 2.062 3.021 6.619 108 2HH1 ARG 14 HH12 ARG 14 2.625 2.453 8.155 109 1HH2 ARG 14 HH21 ARG 14 5.841 3.810 7.798 110 2HH2 ARG 14 HH22 ARG 14 4.766 2.937 8.846 111 H ASN 15 HN ASN 15 1.090 9.251 4.004 112 HA ASN 15 HA ASN 15 0.662 9.971 6.790 113 1HB ASN 15 HB2 ASN 15 -0.890 10.518 4.252 114 2HB ASN 15 HB1 ASN 15 -1.461 11.009 5.842 115 1HD2 ASN 15 HD21 ASN 15 -0.447 12.687 6.908 116 2HD2 ASN 15 HD22 ASN 15 0.677 13.746 6.120 117 H GLY 16 HN GLY 16 0.662 7.163 5.851 118 1HA GLY 16 HA2 GLY 16 -0.673 5.564 7.205 119 2HA GLY 16 HA1 GLY 16 -2.090 6.423 6.613 120 H ASP 17 HN ASP 17 -2.884 5.993 4.602 121 HA ASP 17 HA ASP 17 -1.668 3.681 3.244 122 1HB ASP 17 HB2 ASP 17 -4.502 4.746 3.181 123 2HB ASP 17 HB1 ASP 17 -3.928 3.396 2.205 124 H THR 18 HN THR 18 -1.252 6.748 3.025 125 HA THR 18 HA THR 18 -1.025 6.708 0.108 126 HB THR 18 HB THR 18 -2.080 9.123 1.595 127 HG1 THR 18 HG1 THR 18 -3.362 6.882 0.598 128 1HG2 THR 18 HG21 THR 18 -2.636 9.927 -0.660 129 2HG2 THR 18 HG22 THR 18 -1.912 8.477 -1.353 130 3HG2 THR 18 HG23 THR 18 -0.906 9.639 -0.487 131 H ALA 19 HN ALA 19 0.897 7.534 -0.594 132 HA ALA 19 HA ALA 19 2.621 8.787 1.452 133 1HB ALA 19 HB1 ALA 19 3.364 6.540 0.811 134 2HB ALA 19 HB2 ALA 19 4.531 7.773 0.333 135 3HB ALA 19 HB3 ALA 19 3.461 7.056 -0.873 136 H HIS 20 HN HIS 20 3.264 10.790 1.058 137 HA HIS 20 HA HIS 20 2.937 11.870 -1.656 138 1HB HIS 20 HB2 HIS 20 1.717 13.097 0.034 139 2HB HIS 20 HB1 HIS 20 3.153 13.234 1.038 140 HD1 HIS 20 HD1 HIS 20 1.482 14.738 -1.965 141 HD2 HIS 20 HD2 HIS 20 4.947 15.258 0.288 142 HE1 HIS 20 HE1 HIS 20 2.456 16.939 -2.699 143 HE2 HIS 20 HE2 HIS 20 4.462 17.307 -1.210 144 H CYS 21 HN CYS 21 4.614 12.734 -2.782 145 HA CYS 21 HA CYS 21 7.279 12.594 -1.524 146 1HB CYS 21 HB2 CYS 21 6.570 11.193 -3.660 147 2HB CYS 21 HB1 CYS 21 6.892 12.714 -4.495 148 H GLU 22 HN GLU 22 7.869 14.649 -0.903 149 HA GLU 22 HA GLU 22 7.024 16.992 -2.260 150 1HB GLU 22 HB2 GLU 22 8.966 16.386 -0.103 151 2HB GLU 22 HB1 GLU 22 9.204 17.890 -0.984 152 1HG GLU 22 HG2 GLU 22 6.709 17.046 0.473 153 2HG GLU 22 HG1 GLU 22 7.867 18.273 0.988 154 H THR 23 HN THR 23 10.113 15.188 -2.327 155 HA THR 23 HA THR 23 11.192 16.547 -4.571 156 HB THR 23 HB THR 23 12.475 14.399 -4.876 157 HG1 THR 23 HG1 THR 23 11.321 13.453 -2.467 158 1HG2 THR 23 HG21 THR 23 13.350 16.103 -3.345 159 2HG2 THR 23 HG22 THR 23 13.684 14.484 -2.726 160 3HG2 THR 23 HG23 THR 23 12.373 15.439 -2.033 161 H CYS 24 HN CYS 24 10.321 16.527 -6.627 162 HA CYS 24 HA CYS 24 8.752 16.183 -8.222 163 1HB CYS 24 HB2 CYS 24 8.657 13.991 -9.240 164 2HB CYS 24 HB1 CYS 24 10.311 14.350 -8.783 165 H ALA 25 HN ALA 25 6.929 16.954 -7.414 166 HA ALA 25 HA ALA 25 5.393 15.956 -5.343 167 1HB ALA 25 HB1 ALA 25 3.634 17.430 -6.106 168 2HB ALA 25 HB2 ALA 25 4.410 17.580 -7.682 169 3HB ALA 25 HB3 ALA 25 5.200 18.230 -6.244 170 H LYS 26 HN LYS 26 5.016 13.810 -5.449 171 HA LYS 26 HA LYS 26 2.859 12.976 -7.237 172 1HB LYS 26 HB2 LYS 26 5.366 11.347 -6.727 173 2HB LYS 26 HB1 LYS 26 3.953 10.793 -7.614 174 1HG LYS 26 HG2 LYS 26 4.352 12.474 -9.327 175 2HG LYS 26 HG1 LYS 26 5.746 13.072 -8.427 176 1HD LYS 26 HD2 LYS 26 6.463 11.621 -10.242 177 2HD LYS 26 HD1 LYS 26 6.831 10.882 -8.683 178 1HE LYS 26 HE2 LYS 26 4.943 9.418 -8.865 179 2HE LYS 26 HE1 LYS 26 4.381 10.247 -10.316 180 1HZ LYS 26 HZ1 LYS 26 6.935 8.740 -10.102 181 2HZ LYS 26 HZ2 LYS 26 6.325 9.478 -11.496 182 3HZ LYS 26 HZ3 LYS 26 5.515 8.153 -10.814 183 H ASP 27 HN ASP 27 1.288 11.992 -6.102 184 HA ASP 27 HA ASP 27 1.989 10.913 -3.463 185 1HB ASP 27 HB2 ASP 27 -0.381 11.175 -2.859 186 2HB ASP 27 HB1 ASP 27 0.347 12.708 -3.317 187 H PHE 28 HN PHE 28 1.777 8.828 -3.095 188 HA PHE 28 HA PHE 28 0.760 7.188 -5.311 189 1HB PHE 28 HB2 PHE 28 2.720 6.438 -3.132 190 2HB PHE 28 HB1 PHE 28 2.252 5.432 -4.498 191 HD1 PHE 28 HD2 PHE 28 2.909 6.125 -6.805 192 HD2 PHE 28 HD1 PHE 28 4.409 8.066 -3.330 193 HE1 PHE 28 HE2 PHE 28 4.748 7.076 -8.136 194 HE2 PHE 28 HE1 PHE 28 6.247 9.026 -4.652 195 HZ PHE 28 HZ PHE 28 6.420 8.530 -7.057 196 H SER 29 HN SER 29 -0.983 5.991 -4.999 197 HA SER 29 HA SER 29 -2.199 5.771 -2.402 198 1HB SER 29 HB2 SER 29 -3.534 5.992 -4.509 199 2HB SER 29 HB1 SER 29 -2.969 4.394 -4.992 200 HG SER 29 HG SER 29 -4.020 3.528 -3.186 201 H LEU 30 HN LEU 30 -1.810 4.209 -0.974 202 HA LEU 30 HA LEU 30 -0.080 2.011 -1.841 203 1HB LEU 30 HB2 LEU 30 -0.666 3.042 0.936 204 2HB LEU 30 HB1 LEU 30 0.463 1.761 0.541 205 HG LEU 30 HG LEU 30 0.731 4.639 -0.336 206 1HD1 LEU 30 HD11 LEU 30 2.582 4.735 1.252 207 2HD1 LEU 30 HD12 LEU 30 2.217 3.091 1.780 208 3HD1 LEU 30 HD13 LEU 30 1.055 4.388 2.065 209 1HD2 LEU 30 HD21 LEU 30 2.973 3.973 -1.050 210 2HD2 LEU 30 HD22 LEU 30 1.727 3.078 -1.921 211 3HD2 LEU 30 HD23 LEU 30 2.617 2.303 -0.612 212 H GLN 31 HN GLN 31 -0.631 -0.081 -1.596 213 HA GLN 31 HA GLN 31 -3.316 -0.620 -0.520 214 1HB GLN 31 HB2 GLN 31 -3.102 -1.147 -2.904 215 2HB GLN 31 HB1 GLN 31 -1.714 -2.171 -2.567 216 1HG GLN 31 HG2 GLN 31 -3.089 -3.720 -1.345 217 2HG GLN 31 HG1 GLN 31 -4.484 -2.655 -1.501 218 1HE2 GLN 31 HE21 GLN 31 -5.696 -4.229 -2.520 219 2HE2 GLN 31 HE22 GLN 31 -5.407 -4.716 -4.154 220 H ALA 32 HN ALA 32 -3.425 -1.738 1.281 221 HA ALA 32 HA ALA 32 -1.120 -2.671 2.634 222 1HB ALA 32 HB1 ALA 32 -2.704 -3.455 4.329 223 2HB ALA 32 HB2 ALA 32 -4.039 -3.152 3.218 224 3HB ALA 32 HB3 ALA 32 -3.068 -1.808 3.816 225 H LEU 33 HN LEU 33 -0.033 -4.439 2.086 226 HA LEU 33 HA LEU 33 -1.553 -6.809 1.220 227 1HB LEU 33 HB2 LEU 33 0.329 -5.362 -0.251 228 2HB LEU 33 HB1 LEU 33 1.212 -6.761 0.329 229 HG LEU 33 HG LEU 33 -0.481 -8.240 -0.690 230 1HD1 LEU 33 HD11 LEU 33 -1.622 -5.672 -1.793 231 2HD1 LEU 33 HD12 LEU 33 -2.393 -6.725 -0.605 232 3HD1 LEU 33 HD13 LEU 33 -2.115 -7.305 -2.247 233 1HD2 LEU 33 HD21 LEU 33 0.164 -7.831 -3.014 234 2HD2 LEU 33 HD22 LEU 33 1.538 -7.660 -1.922 235 3HD2 LEU 33 HD23 LEU 33 0.744 -6.225 -2.572 236 H CYS 34 HN CYS 34 -0.651 -8.844 1.799 237 HA CYS 34 HA CYS 34 0.986 -8.767 4.222 238 1HB CYS 34 HB2 CYS 34 -0.881 -10.767 3.012 239 2HB CYS 34 HB1 CYS 34 0.387 -11.336 4.087 240 HA PRO 35 HA PRO 35 4.512 -10.519 2.005 241 1HB PRO 35 HB2 PRO 35 5.331 -11.476 4.667 242 2HB PRO 35 HB1 PRO 35 6.174 -10.385 3.564 243 1HG PRO 35 HG2 PRO 35 5.068 -9.499 5.845 244 2HG PRO 35 HG1 PRO 35 5.088 -8.514 4.370 245 1HD PRO 35 HD2 PRO 35 2.851 -10.136 5.536 246 2HD PRO 35 HD1 PRO 35 2.805 -8.510 4.818 247 H ASP 36 HN ASP 36 2.471 -12.070 4.347 248 HA ASP 36 HA ASP 36 3.123 -14.764 3.601 249 1HB ASP 36 HB2 ASP 36 1.017 -15.250 4.993 250 2HB ASP 36 HB1 ASP 36 2.376 -14.507 5.830 251 H CYS 37 HN CYS 37 -0.196 -13.573 3.659 252 HA CYS 37 HA CYS 37 -0.713 -14.792 1.091 253 1HB CYS 37 HB2 CYS 37 -3.081 -13.969 1.562 254 2HB CYS 37 HB1 CYS 37 -2.428 -15.155 2.684 255 H ARG 38 HN ARG 38 0.112 -13.654 -0.562 256 HA ARG 38 HA ARG 38 0.050 -10.755 -0.541 257 1HB ARG 38 HB2 ARG 38 2.045 -11.898 -1.359 258 2HB ARG 38 HB1 ARG 38 1.101 -12.701 -2.605 259 1HG ARG 38 HG2 ARG 38 0.672 -10.570 -3.682 260 2HG ARG 38 HG1 ARG 38 1.544 -9.728 -2.398 261 1HD ARG 38 HD2 ARG 38 3.593 -10.865 -3.004 262 2HD ARG 38 HD1 ARG 38 2.742 -11.805 -4.228 263 HE ARG 38 HE ARG 38 2.253 -9.283 -5.026 264 1HH1 ARG 38 HH11 ARG 38 5.229 -10.906 -4.112 265 2HH1 ARG 38 HH12 ARG 38 6.219 -9.939 -5.154 266 1HH2 ARG 38 HH21 ARG 38 3.565 -8.037 -6.413 267 2HH2 ARG 38 HH22 ARG 38 5.283 -8.310 -6.446 268 H GLN 39 HN GLN 39 -2.306 -10.829 -0.429 269 HA GLN 39 HA GLN 39 -3.464 -10.531 -3.091 270 1HB GLN 39 HB2 GLN 39 -4.683 -12.226 -0.888 271 2HB GLN 39 HB1 GLN 39 -5.530 -11.741 -2.349 272 1HG GLN 39 HG2 GLN 39 -3.788 -12.938 -3.667 273 2HG GLN 39 HG1 GLN 39 -3.121 -13.529 -2.149 274 1HE2 GLN 39 HE21 GLN 39 -5.819 -13.774 -0.967 275 2HE2 GLN 39 HE22 GLN 39 -6.492 -15.200 -1.667 276 HA PRO 40 HA PRO 40 -5.510 -6.977 -1.381 277 1HB PRO 40 HB2 PRO 40 -8.230 -8.086 -1.767 278 2HB PRO 40 HB1 PRO 40 -7.511 -6.610 -2.416 279 1HG PRO 40 HG2 PRO 40 -7.915 -8.726 -3.980 280 2HG PRO 40 HG1 PRO 40 -6.458 -7.730 -4.157 281 1HD PRO 40 HD2 PRO 40 -6.787 -10.390 -2.825 282 2HD PRO 40 HD1 PRO 40 -5.472 -9.809 -3.867 283 H LEU 41 HN LEU 41 -5.801 -9.864 0.183 284 HA LEU 41 HA LEU 41 -6.183 -10.477 2.321 285 1HB LEU 41 HB2 LEU 41 -6.293 -7.507 2.873 286 2HB LEU 41 HB1 LEU 41 -6.101 -8.768 4.075 287 HG LEU 41 HG LEU 41 -4.125 -7.964 1.943 288 1HD1 LEU 41 HD11 LEU 41 -4.174 -6.490 3.869 289 2HD1 LEU 41 HD12 LEU 41 -2.690 -7.445 3.861 290 3HD1 LEU 41 HD13 LEU 41 -4.008 -7.872 4.953 291 1HD2 LEU 41 HD21 LEU 41 -4.137 -10.393 2.188 292 2HD2 LEU 41 HD22 LEU 41 -3.932 -10.219 3.931 293 3HD2 LEU 41 HD23 LEU 41 -2.657 -9.685 2.835 294 H GLN 42 HN GLN 42 -8.108 -7.570 2.753 295 HA GLN 42 HA GLN 42 -10.604 -8.791 2.157 296 1HB GLN 42 HB2 GLN 42 -10.126 -9.929 4.293 297 2HB GLN 42 HB1 GLN 42 -9.922 -8.369 5.077 298 1HG GLN 42 HG2 GLN 42 -12.243 -7.833 4.698 299 2HG GLN 42 HG1 GLN 42 -12.468 -9.329 3.792 300 1HE2 GLN 42 HE21 GLN 42 -12.012 -7.923 6.939 301 2HE2 GLN 42 HE22 GLN 42 -12.481 -9.318 7.847 302 H VAL 43 HN VAL 43 -11.780 -7.155 1.441 303 HA VAL 43 HA VAL 43 -10.934 -4.463 1.779 304 HB VAL 43 HB VAL 43 -13.564 -5.435 0.646 305 1HG1 VAL 43 HG11 VAL 43 -13.548 -3.322 -0.586 306 2HG1 VAL 43 HG12 VAL 43 -12.053 -2.858 0.231 307 3HG1 VAL 43 HG13 VAL 43 -13.540 -3.057 1.158 308 1HG2 VAL 43 HG21 VAL 43 -10.941 -4.954 -0.766 309 2HG2 VAL 43 HG22 VAL 43 -12.478 -5.327 -1.548 310 3HG2 VAL 43 HG23 VAL 43 -11.710 -6.519 -0.499 311 H LEU 44 HN LEU 44 -11.300 -3.237 3.475 312 HA LEU 44 HA LEU 44 -13.845 -3.547 4.935 313 1HB LEU 44 HB2 LEU 44 -11.145 -2.765 6.047 314 2HB LEU 44 HB1 LEU 44 -12.643 -2.759 6.955 315 HG LEU 44 HG LEU 44 -11.311 -5.210 5.787 316 1HD1 LEU 44 HD11 LEU 44 -11.548 -4.244 8.635 317 2HD1 LEU 44 HD12 LEU 44 -10.077 -4.268 7.666 318 3HD1 LEU 44 HD13 LEU 44 -10.858 -5.783 8.120 319 1HD2 LEU 44 HD21 LEU 44 -12.986 -6.442 7.096 320 2HD2 LEU 44 HD22 LEU 44 -13.729 -5.444 5.846 321 3HD2 LEU 44 HD23 LEU 44 -13.759 -4.918 7.529 322 H LYS 45 HN LYS 45 -14.992 -1.690 5.314 323 HA LYS 45 HA LYS 45 -13.886 0.754 4.148 324 1HB LYS 45 HB2 LYS 45 -16.711 0.216 5.092 325 2HB LYS 45 HB1 LYS 45 -16.158 1.624 4.192 326 1HG LYS 45 HG2 LYS 45 -15.469 0.020 2.363 327 2HG LYS 45 HG1 LYS 45 -16.373 -1.214 3.238 328 1HD LYS 45 HD2 LYS 45 -17.805 -0.324 1.552 329 2HD LYS 45 HD1 LYS 45 -18.374 0.285 3.108 330 1HE LYS 45 HE2 LYS 45 -17.328 2.414 2.720 331 2HE LYS 45 HE1 LYS 45 -16.556 1.815 1.250 332 1HZ LYS 45 HZ1 LYS 45 -18.520 3.159 0.770 333 2HZ LYS 45 HZ2 LYS 45 -19.487 2.085 1.660 334 3HZ LYS 45 HZ3 LYS 45 -18.722 1.559 0.240 335 H ALA 46 HN ALA 46 -13.926 2.730 5.301 336 HA ALA 46 HA ALA 46 -13.421 4.044 7.080 337 1HB ALA 46 HB1 ALA 46 -14.582 1.867 8.820 338 2HB ALA 46 HB2 ALA 46 -15.470 3.246 8.176 339 3HB ALA 46 HB3 ALA 46 -14.163 3.502 9.333 340 H CYS 47 HN CYS 47 -12.441 2.942 9.689 341 HA CYS 47 HA CYS 47 -10.441 2.360 10.607 342 1HB CYS 47 HB2 CYS 47 -10.672 0.168 9.607 343 2HB CYS 47 HB1 CYS 47 -10.134 0.772 8.045 344 HG CYS 47 HG CYS 47 -7.803 -0.210 8.467 345 H GLY 48 HN GLY 48 -9.789 2.739 7.136 346 1HA GLY 48 HA2 GLY 48 -8.262 5.188 7.773 347 2HA GLY 48 HA1 GLY 48 -7.723 4.049 6.539 348 H ALA 49 HN ALA 49 -9.975 3.385 5.272 349 HA ALA 49 HA ALA 49 -11.854 5.319 4.628 350 1HB ALA 49 HB1 ALA 49 -11.059 6.089 2.420 351 2HB ALA 49 HB2 ALA 49 -9.501 5.321 2.727 352 3HB ALA 49 HB3 ALA 49 -10.031 6.668 3.730 353 H VAL 50 HN VAL 50 -9.959 3.623 2.214 354 HA VAL 50 HA VAL 50 -11.894 1.403 2.222 355 HB VAL 50 HB VAL 50 -10.311 2.397 -0.168 356 1HG1 VAL 50 HG11 VAL 50 -10.708 0.004 -0.241 357 2HG1 VAL 50 HG12 VAL 50 -11.698 0.824 -1.448 358 3HG1 VAL 50 HG13 VAL 50 -12.428 0.260 0.055 359 1HG2 VAL 50 HG21 VAL 50 -12.472 3.117 -1.085 360 2HG2 VAL 50 HG22 VAL 50 -12.068 3.983 0.398 361 3HG2 VAL 50 HG23 VAL 50 -13.256 2.677 0.432 362 H ASP 51 HN ASP 51 -10.845 -0.123 3.373 363 HA ASP 51 HA ASP 51 -7.911 -0.133 3.232 364 1HB ASP 51 HB2 ASP 51 -9.265 0.344 5.403 365 2HB ASP 51 HB1 ASP 51 -9.522 -1.397 5.428 366 H TYR 52 HN TYR 52 -6.801 -2.123 3.467 367 HA TYR 52 HA TYR 52 -8.300 -4.536 2.687 368 1HB TYR 52 HB2 TYR 52 -5.568 -3.668 1.694 369 2HB TYR 52 HB1 TYR 52 -6.271 -5.255 1.408 370 HD1 TYR 52 HD2 TYR 52 -8.410 -5.394 0.055 371 HD2 TYR 52 HD1 TYR 52 -6.067 -1.852 0.281 372 HE1 TYR 52 HE2 TYR 52 -9.493 -4.558 -1.987 373 HE2 TYR 52 HE1 TYR 52 -7.143 -1.004 -1.763 374 HH TYR 52 HH TYR 52 -9.951 -2.386 -3.087 375 H PHE 53 HN PHE 53 -8.339 -5.561 4.620 376 HA PHE 53 HA PHE 53 -5.863 -5.907 6.144 377 1HB PHE 53 HB2 PHE 53 -6.897 -3.659 6.679 378 2HB PHE 53 HB1 PHE 53 -8.302 -4.513 7.282 379 HD1 PHE 53 HD2 PHE 53 -4.760 -3.675 7.919 380 HD2 PHE 53 HD1 PHE 53 -8.285 -5.575 9.405 381 HE1 PHE 53 HE2 PHE 53 -3.799 -3.722 10.170 382 HE2 PHE 53 HE1 PHE 53 -7.314 -5.605 11.661 383 HZ PHE 53 HZ PHE 53 -5.068 -4.679 12.044 384 H CYS 54 HN CYS 54 -5.946 -8.111 6.390 385 HA CYS 54 HA CYS 54 -8.542 -9.393 6.596 386 1HB CYS 54 HB2 CYS 54 -7.192 -11.511 6.384 387 2HB CYS 54 HB1 CYS 54 -7.083 -10.415 5.015 388 H GLN 55 HN GLN 55 -9.152 -8.815 8.682 389 HA GLN 55 HA GLN 55 -7.598 -9.262 10.996 390 1HB GLN 55 HB2 GLN 55 -9.638 -7.819 10.893 391 2HB GLN 55 HB1 GLN 55 -10.614 -9.275 10.764 392 1HG GLN 55 HG2 GLN 55 -9.615 -9.994 12.966 393 2HG GLN 55 HG1 GLN 55 -8.960 -8.362 13.097 394 1HE2 GLN 55 HE21 GLN 55 -11.794 -10.330 13.181 395 2HE2 GLN 55 HE22 GLN 55 -12.876 -9.115 13.793 396 H ASN 56 HN ASN 56 -10.021 -11.194 9.328 397 HA ASN 56 HA ASN 56 -9.204 -13.533 10.907 398 1HB ASN 56 HB2 ASN 56 -11.358 -14.529 10.322 399 2HB ASN 56 HB1 ASN 56 -11.605 -12.962 11.084 400 1HD2 ASN 56 HD21 ASN 56 -12.091 -14.871 8.298 401 2HD2 ASN 56 HD22 ASN 56 -12.924 -13.687 7.349 402 H GLY 57 HN GLY 57 -9.556 -15.636 9.509 403 1HA GLY 57 HA2 GLY 57 -9.021 -16.822 7.567 404 2HA GLY 57 HA1 GLY 57 -8.791 -15.294 6.722 405 H HIS 58 HN HIS 58 -6.883 -13.985 7.629 406 HA HIS 58 HA HIS 58 -4.647 -15.805 8.197 407 1HB HIS 58 HB2 HIS 58 -4.071 -14.535 6.277 408 2HB HIS 58 HB1 HIS 58 -4.708 -13.047 6.966 409 HD2 HIS 58 HD2 HIS 58 -2.080 -15.291 8.852 410 HE1 HIS 58 HE1 HIS 58 -0.346 -11.503 8.079 411 HE2 HIS 58 HE2 HIS 58 -0.047 -13.737 9.206 412 H GLY 59 HN GLY 59 -5.305 -12.369 8.960 413 1HA GLY 59 HA2 GLY 59 -5.722 -12.317 11.588 414 2HA GLY 59 HA1 GLY 59 -4.028 -12.797 11.540 415 H LEU 60 HN LEU 60 -5.596 -10.289 12.326 416 HA LEU 60 HA LEU 60 -5.010 -8.251 10.485 417 1HB LEU 60 HB2 LEU 60 -5.528 -6.699 12.275 418 2HB LEU 60 HB1 LEU 60 -6.704 -7.994 12.211 419 HG LEU 60 HG LEU 60 -4.425 -8.090 14.167 420 1HD1 LEU 60 HD11 LEU 60 -7.093 -6.740 14.559 421 2HD1 LEU 60 HD12 LEU 60 -5.527 -5.934 14.473 422 3HD1 LEU 60 HD13 LEU 60 -5.886 -7.026 15.811 423 1HD2 LEU 60 HD21 LEU 60 -5.735 -10.129 13.830 424 2HD2 LEU 60 HD22 LEU 60 -7.217 -9.239 14.180 425 3HD2 LEU 60 HD23 LEU 60 -6.002 -9.460 15.441 426 H ILE 61 HN ILE 61 -3.291 -7.026 10.139 427 HA ILE 61 HA ILE 61 -0.915 -7.462 11.825 428 HB ILE 61 HB ILE 61 -0.775 -6.358 9.028 429 1HG1 ILE 61 HG12 ILE 61 -0.071 -8.828 8.455 430 2HG1 ILE 61 HG11 ILE 61 -1.116 -9.230 9.813 431 1HG2 ILE 61 HG21 ILE 61 1.176 -7.877 10.747 432 2HG2 ILE 61 HG22 ILE 61 1.190 -6.144 10.417 433 3HG2 ILE 61 HG23 ILE 61 1.491 -7.294 9.113 434 1HD1 ILE 61 HD11 ILE 61 -1.924 -7.711 7.344 435 2HD1 ILE 61 HD12 ILE 61 -2.974 -8.087 8.710 436 3HD1 ILE 61 HD13 ILE 61 -2.316 -9.391 7.718 437 H SER 62 HN SER 62 -0.047 -5.683 12.800 438 HA SER 62 HA SER 62 -1.409 -3.228 12.852 439 1HB SER 62 HB2 SER 62 1.518 -3.701 13.477 440 2HB SER 62 HB1 SER 62 0.513 -2.378 14.073 441 HG SER 62 HG SER 62 -0.850 -4.297 14.872 442 H LYS 63 HN LYS 63 -1.152 -1.315 11.694 443 HA LYS 63 HA LYS 63 -0.243 -1.698 9.026 444 1HB LYS 63 HB2 LYS 63 -1.327 0.699 10.477 445 2HB LYS 63 HB1 LYS 63 -0.760 0.803 8.813 446 1HG LYS 63 HG2 LYS 63 -2.355 -1.345 8.614 447 2HG LYS 63 HG1 LYS 63 -3.171 -0.480 9.917 448 1HD LYS 63 HD2 LYS 63 -3.486 1.442 8.560 449 2HD LYS 63 HD1 LYS 63 -2.394 0.825 7.316 450 1HE LYS 63 HE2 LYS 63 -3.974 -1.064 6.959 451 2HE LYS 63 HE1 LYS 63 -5.086 -0.290 8.086 452 1HZ LYS 63 HZ1 LYS 63 -4.107 0.936 5.556 453 2HZ LYS 63 HZ2 LYS 63 -5.251 1.591 6.614 454 3HZ LYS 63 HZ3 LYS 63 -5.610 0.176 5.757 455 H LYS 64 HN LYS 64 1.558 -1.159 11.681 456 HA LYS 64 HA LYS 64 3.599 0.514 10.477 457 1HB LYS 64 HB2 LYS 64 3.081 0.488 12.946 458 2HB LYS 64 HB1 LYS 64 3.686 -1.156 13.012 459 1HG LYS 64 HG2 LYS 64 5.431 1.081 12.051 460 2HG LYS 64 HG1 LYS 64 5.206 0.777 13.774 461 1HD LYS 64 HD2 LYS 64 5.894 -1.619 13.282 462 2HD LYS 64 HD1 LYS 64 6.403 -1.043 11.695 463 1HE LYS 64 HE2 LYS 64 7.453 -0.185 14.387 464 2HE LYS 64 HE1 LYS 64 8.314 -1.083 13.142 465 1HZ LYS 64 HZ1 LYS 64 7.585 1.772 13.197 466 2HZ LYS 64 HZ2 LYS 64 7.864 0.998 11.717 467 3HZ LYS 64 HZ3 LYS 64 9.094 1.058 12.885 468 H ARG 65 HN ARG 65 2.624 -2.734 10.558 469 HA ARG 65 HA ARG 65 5.261 -3.735 9.713 470 1HB ARG 65 HB2 ARG 65 4.528 -4.712 11.795 471 2HB ARG 65 HB1 ARG 65 2.956 -5.098 11.116 472 1HG ARG 65 HG2 ARG 65 4.015 -6.718 9.614 473 2HG ARG 65 HG1 ARG 65 5.585 -6.338 10.328 474 1HD ARG 65 HD2 ARG 65 4.922 -7.187 12.445 475 2HD ARG 65 HD1 ARG 65 3.237 -7.301 11.944 476 HE ARG 65 HE ARG 65 4.677 -8.921 10.224 477 1HH1 ARG 65 HH11 ARG 65 4.000 -8.781 13.663 478 2HH1 ARG 65 HH12 ARG 65 4.135 -10.500 13.887 479 1HH2 ARG 65 HH21 ARG 65 4.819 -11.158 10.501 480 2HH2 ARG 65 HH22 ARG 65 4.571 -11.862 12.074 481 H VAL 66 HN VAL 66 2.091 -3.113 8.695 482 HA VAL 66 HA VAL 66 1.685 -5.175 6.795 483 HB VAL 66 HB VAL 66 0.596 -2.349 6.813 484 1HG1 VAL 66 HG11 VAL 66 -0.345 -4.776 5.292 485 2HG1 VAL 66 HG12 VAL 66 0.429 -3.351 4.597 486 3HG1 VAL 66 HG13 VAL 66 -1.162 -3.214 5.349 487 1HG2 VAL 66 HG21 VAL 66 -0.615 -4.923 7.811 488 2HG2 VAL 66 HG22 VAL 66 -1.404 -3.346 7.789 489 3HG2 VAL 66 HG23 VAL 66 0.006 -3.614 8.814 490 H ASN 67 HN ASN 67 2.233 -5.343 4.669 491 HA ASN 67 HA ASN 67 4.379 -3.645 3.714 492 1HB ASN 67 HB2 ASN 67 4.526 -6.072 3.370 493 2HB ASN 67 HB1 ASN 67 3.027 -6.045 2.449 494 1HD2 ASN 67 HD21 ASN 67 3.916 -6.836 0.595 495 2HD2 ASN 67 HD22 ASN 67 5.023 -5.942 -0.381 496 H PHE 68 HN PHE 68 3.620 -1.688 3.099 497 HA PHE 68 HA PHE 68 1.175 -1.461 1.568 498 1HB PHE 68 HB2 PHE 68 3.165 0.599 2.528 499 2HB PHE 68 HB1 PHE 68 1.736 0.997 1.583 500 HD1 PHE 68 HD2 PHE 68 -0.507 0.668 2.541 501 HD2 PHE 68 HD1 PHE 68 3.022 0.088 4.838 502 HE1 PHE 68 HE2 PHE 68 -1.837 0.781 4.606 503 HE2 PHE 68 HE1 PHE 68 1.700 0.201 6.906 504 HZ PHE 68 HZ PHE 68 -0.733 0.544 6.793 505 H VAL 69 HN VAL 69 1.263 -2.037 -0.490 506 HA VAL 69 HA VAL 69 3.664 -1.384 -2.048 507 HB VAL 69 HB VAL 69 2.952 -3.746 -2.058 508 1HG1 VAL 69 HG11 VAL 69 0.457 -2.731 -3.409 509 2HG1 VAL 69 HG12 VAL 69 0.556 -3.442 -1.797 510 3HG1 VAL 69 HG13 VAL 69 0.911 -4.425 -3.219 511 1HG2 VAL 69 HG21 VAL 69 2.642 -2.381 -4.728 512 2HG2 VAL 69 HG22 VAL 69 3.003 -4.091 -4.476 513 3HG2 VAL 69 HG23 VAL 69 4.163 -2.860 -3.972 514 H ILE 70 HN ILE 70 3.560 -0.164 -3.893 515 HA ILE 70 HA ILE 70 1.303 1.607 -4.167 516 HB ILE 70 HB ILE 70 3.769 1.386 -5.912 517 1HG1 ILE 70 HG12 ILE 70 3.223 3.262 -3.599 518 2HG1 ILE 70 HG11 ILE 70 4.288 1.862 -3.526 519 1HG2 ILE 70 HG21 ILE 70 3.216 3.670 -6.604 520 2HG2 ILE 70 HG22 ILE 70 1.763 3.622 -5.606 521 3HG2 ILE 70 HG23 ILE 70 1.913 2.547 -6.996 522 1HD1 ILE 70 HD11 ILE 70 5.728 2.874 -5.216 523 2HD1 ILE 70 HD12 ILE 70 5.547 3.914 -3.802 524 3HD1 ILE 70 HD13 ILE 70 4.660 4.276 -5.283 525 H SER 71 HN SER 71 -0.285 1.510 -5.696 526 HA SER 71 HA SER 71 -0.571 -0.866 -7.253 527 1HB SER 71 HB2 SER 71 -2.158 1.707 -7.439 528 2HB SER 71 HB1 SER 71 -2.651 0.115 -8.022 529 HG SER 71 HG SER 71 -2.160 -0.384 -5.598 530 H ASP 72 HN ASP 72 1.388 -0.790 -8.475 531 HA ASP 72 HA ASP 72 1.632 1.309 -10.487 532 1HB ASP 72 HB2 ASP 72 3.650 0.688 -9.263 533 2HB ASP 72 HB1 ASP 72 3.471 -0.987 -9.776 534 H GLN 73 HN GLN 73 1.393 -2.239 -10.346 535 HA GLN 73 HA GLN 73 0.933 -2.315 -13.220 536 1HB GLN 73 HB2 GLN 73 1.236 -4.516 -11.173 537 2HB GLN 73 HB1 GLN 73 0.887 -4.805 -12.872 538 1HG GLN 73 HG2 GLN 73 2.982 -3.681 -13.475 539 2HG GLN 73 HG1 GLN 73 3.336 -3.455 -11.764 540 1HE2 GLN 73 HE21 GLN 73 4.789 -4.902 -13.842 541 2HE2 GLN 73 HE22 GLN 73 4.970 -6.521 -13.263 542 H LEU 74 HN LEU 74 -1.071 -1.535 -13.605 543 HA LEU 74 HA LEU 74 -3.311 -2.936 -12.303 544 1HB LEU 74 HB2 LEU 74 -3.211 -0.104 -13.347 545 2HB LEU 74 HB1 LEU 74 -4.659 -0.898 -12.758 546 HG LEU 74 HG LEU 74 -2.202 -0.307 -11.101 547 1HD1 LEU 74 HD11 LEU 74 -3.629 1.348 -9.995 548 2HD1 LEU 74 HD12 LEU 74 -4.915 1.011 -11.154 549 3HD1 LEU 74 HD13 LEU 74 -3.398 1.723 -11.702 550 1HD2 LEU 74 HD21 LEU 74 -4.899 -1.418 -10.330 551 2HD2 LEU 74 HD22 LEU 74 -3.611 -0.971 -9.210 552 3HD2 LEU 74 HD23 LEU 74 -3.372 -2.301 -10.343 553 H GLU 75 HN GLU 75 -3.527 -4.530 -13.822 554 HA GLU 75 HA GLU 75 -3.547 -4.098 -16.615 555 1HB GLU 75 HB2 GLU 75 -4.683 -6.355 -14.960 556 2HB GLU 75 HB1 GLU 75 -4.547 -6.379 -16.714 557 1HG GLU 75 HG2 GLU 75 -2.265 -6.159 -14.766 558 2HG GLU 75 HG1 GLU 75 -2.734 -7.605 -15.662 559 H HIS 76 HN HIS 76 -6.318 -5.136 -14.605 560 HA HIS 76 HA HIS 76 -8.103 -3.700 -16.389 561 1HB HIS 76 HB2 HIS 76 -9.937 -4.686 -15.150 562 2HB HIS 76 HB1 HIS 76 -8.770 -5.936 -15.543 563 HD1 HIS 76 HD1 HIS 76 -7.518 -7.057 -13.579 564 HD2 HIS 76 HD2 HIS 76 -10.288 -4.174 -12.422 565 HE1 HIS 76 HE1 HIS 76 -7.827 -7.363 -11.100 566 HE2 HIS 76 HE2 HIS 76 -9.650 -5.742 -10.464 567 H HIS 77 HN HIS 77 -9.149 -1.829 -15.925 568 HA HIS 77 HA HIS 77 -8.573 -0.565 -13.345 569 1HB HIS 77 HB2 HIS 77 -7.960 1.561 -14.650 570 2HB HIS 77 HB1 HIS 77 -6.755 0.284 -14.565 571 HD1 HIS 77 HD1 HIS 77 -8.871 2.178 -16.948 572 HD2 HIS 77 HD2 HIS 77 -6.275 -1.063 -17.015 573 HE1 HIS 77 HE1 HIS 77 -8.376 1.757 -19.380 574 HE2 HIS 77 HE2 HIS 77 -6.651 -0.083 -19.380 575 H HIS 78 HN HIS 78 -10.402 0.137 -12.538 576 HA HIS 78 HA HIS 78 -12.598 0.770 -14.378 577 1HB HIS 78 HB2 HIS 78 -12.993 -1.089 -12.804 578 2HB HIS 78 HB1 HIS 78 -12.703 -0.001 -11.452 579 HD1 HIS 78 HD1 HIS 78 -14.688 1.168 -10.527 580 HD2 HIS 78 HD2 HIS 78 -15.392 -0.356 -14.335 581 HE1 HIS 78 HE1 HIS 78 -17.143 1.517 -10.956 582 HE2 HIS 78 HE2 HIS 78 -17.585 0.367 -13.155 583 H HIS 79 HN HIS 79 -11.398 2.905 -14.589 584 HA HIS 79 HA HIS 79 -12.272 4.763 -12.491 585 1HB HIS 79 HB2 HIS 79 -9.953 4.951 -13.517 586 2HB HIS 79 HB1 HIS 79 -10.739 5.434 -15.014 587 HD1 HIS 79 HD1 HIS 79 -9.289 6.804 -12.024 588 HD2 HIS 79 HD2 HIS 79 -12.381 7.910 -14.586 589 HE1 HIS 79 HE1 HIS 79 -9.683 9.251 -11.603 590 HE2 HIS 79 HE2 HIS 79 -11.426 9.934 -13.284 591 H HIS 80 HN HIS 80 -12.932 3.674 -15.698 592 HA HIS 80 HA HIS 80 -15.020 5.700 -16.046 593 1HB HIS 80 HB2 HIS 80 -15.080 5.085 -18.373 594 2HB HIS 80 HB1 HIS 80 -13.395 5.300 -17.920 595 HD1 HIS 80 HD1 HIS 80 -15.458 3.108 -19.789 596 HD2 HIS 80 HD2 HIS 80 -12.216 2.570 -17.235 597 HE1 HIS 80 HE1 HIS 80 -14.557 0.816 -20.304 598 HE2 HIS 80 HE2 HIS 80 -12.487 0.593 -18.887 599 H HIS 81 HN HIS 81 -17.067 4.822 -17.093 600 HA HIS 81 HA HIS 81 -17.947 2.491 -15.556 601 1HB HIS 81 HB2 HIS 81 -19.487 4.600 -17.089 602 2HB HIS 81 HB1 HIS 81 -20.240 3.206 -16.326 603 HD1 HIS 81 HD1 HIS 81 -21.156 3.683 -14.096 604 HD2 HIS 81 HD2 HIS 81 -17.968 6.191 -15.011 605 HE1 HIS 81 HE1 HIS 81 -20.934 5.242 -12.136 606 HE2 HIS 81 HE2 HIS 81 -18.916 6.663 -12.647 Start of MODEL 8 1 1H MET 1 HT1 MET 1 11.190 -3.279 0.573 2 2H MET 1 HT2 MET 1 11.362 -1.610 0.817 3 3H MET 1 HT3 MET 1 9.832 -2.264 0.492 4 HA MET 1 HA MET 1 9.916 -3.508 2.575 5 1HB MET 1 HB2 MET 1 12.393 -1.861 3.128 6 2HB MET 1 HB1 MET 1 11.655 -3.042 4.197 7 1HG MET 1 HG2 MET 1 13.638 -3.961 3.195 8 2HG MET 1 HG1 MET 1 12.216 -4.818 2.604 9 1HE MET 1 HE1 MET 1 15.263 -4.716 1.328 10 2HE MET 1 HE2 MET 1 14.852 -4.743 -0.387 11 3HE MET 1 HE3 MET 1 13.988 -5.786 0.743 12 H GLU 2 HN GLU 2 11.228 -0.212 2.360 13 HA GLU 2 HA GLU 2 8.889 0.744 3.873 14 1HB GLU 2 HB2 GLU 2 11.051 1.024 5.054 15 2HB GLU 2 HB1 GLU 2 11.662 1.952 3.694 16 1HG GLU 2 HG2 GLU 2 10.013 3.684 4.108 17 2HG GLU 2 HG1 GLU 2 9.337 2.744 5.436 18 H ILE 3 HN ILE 3 8.124 2.911 3.235 19 HA ILE 3 HA ILE 3 7.925 3.072 0.386 20 HB ILE 3 HB ILE 3 6.544 5.150 0.882 21 1HG1 ILE 3 HG12 ILE 3 6.830 4.123 3.720 22 2HG1 ILE 3 HG11 ILE 3 7.520 5.624 3.110 23 1HG2 ILE 3 HG21 ILE 3 4.630 3.813 1.645 24 2HG2 ILE 3 HG22 ILE 3 5.731 2.507 2.087 25 3HG2 ILE 3 HG23 ILE 3 5.563 2.986 0.398 26 1HD1 ILE 3 HD11 ILE 3 5.273 6.477 2.682 27 2HD1 ILE 3 HD12 ILE 3 5.499 6.041 4.376 28 3HD1 ILE 3 HD13 ILE 3 4.590 4.975 3.305 29 H THR 4 HN THR 4 9.963 3.514 -0.353 30 HA THR 4 HA THR 4 10.925 6.255 0.134 31 HB THR 4 HB THR 4 12.647 3.858 -0.549 32 HG1 THR 4 HG1 THR 4 11.699 4.819 1.870 33 1HG2 THR 4 HG21 THR 4 13.574 6.014 -1.257 34 2HG2 THR 4 HG22 THR 4 14.507 5.329 0.073 35 3HG2 THR 4 HG23 THR 4 13.371 6.643 0.378 36 H CYS 5 HN CYS 5 10.973 7.498 -1.648 37 HA CYS 5 HA CYS 5 10.211 6.399 -4.189 38 1HB CYS 5 HB2 CYS 5 9.425 8.609 -3.547 39 2HB CYS 5 HB1 CYS 5 11.079 9.193 -3.405 40 HA PRO 6 HA PRO 6 14.421 5.443 -5.293 41 1HB PRO 6 HB2 PRO 6 13.907 4.401 -7.728 42 2HB PRO 6 HB1 PRO 6 13.534 3.538 -6.231 43 1HG PRO 6 HG2 PRO 6 11.712 5.114 -8.013 44 2HG PRO 6 HG1 PRO 6 11.433 3.547 -7.230 45 1HD PRO 6 HD2 PRO 6 10.461 5.894 -6.251 46 2HD PRO 6 HD1 PRO 6 10.879 4.513 -5.218 47 H VAL 7 HN VAL 7 12.573 7.923 -6.475 48 HA VAL 7 HA VAL 7 14.375 8.632 -8.663 49 HB VAL 7 HB VAL 7 11.937 10.130 -7.682 50 1HG1 VAL 7 HG11 VAL 7 13.478 11.502 -8.975 51 2HG1 VAL 7 HG12 VAL 7 11.994 11.204 -9.879 52 3HG1 VAL 7 HG13 VAL 7 13.464 10.312 -10.277 53 1HG2 VAL 7 HG21 VAL 7 12.166 8.128 -9.928 54 2HG2 VAL 7 HG22 VAL 7 10.740 9.097 -9.552 55 3HG2 VAL 7 HG23 VAL 7 11.313 7.889 -8.404 56 H CYS 8 HN CYS 8 13.563 9.557 -5.395 57 HA CYS 8 HA CYS 8 15.621 11.661 -5.510 58 1HB CYS 8 HB2 CYS 8 14.310 12.812 -3.717 59 2HB CYS 8 HB1 CYS 8 13.478 12.716 -5.267 60 H HIS 9 HN HIS 9 14.740 8.725 -4.204 61 HA HIS 9 HA HIS 9 15.561 7.376 -2.584 62 1HB HIS 9 HB2 HIS 9 17.732 8.361 -3.644 63 2HB HIS 9 HB1 HIS 9 17.849 9.280 -2.147 64 HD1 HIS 9 HD1 HIS 9 17.962 5.761 -3.469 65 HD2 HIS 9 HD2 HIS 9 18.705 7.831 0.064 66 HE1 HIS 9 HE1 HIS 9 19.120 4.123 -1.952 67 HE2 HIS 9 HE2 HIS 9 19.759 5.464 0.081 68 H HIS 10 HN HIS 10 13.711 9.454 -1.900 69 HA HIS 10 HA HIS 10 14.463 9.985 0.902 70 1HB HIS 10 HB2 HIS 10 12.844 11.556 -1.067 71 2HB HIS 10 HB1 HIS 10 12.473 11.693 0.645 72 HD1 HIS 10 HD1 HIS 10 15.505 12.103 -1.641 73 HD2 HIS 10 HD2 HIS 10 13.933 13.563 1.924 74 HE1 HIS 10 HE1 HIS 10 17.034 13.969 -0.938 75 HE2 HIS 10 HE2 HIS 10 16.162 14.719 1.306 76 H ALA 11 HN ALA 11 13.074 9.400 2.523 77 HA ALA 11 HA ALA 11 11.083 7.433 2.005 78 1HB ALA 11 HB1 ALA 11 10.618 7.552 4.400 79 2HB ALA 11 HB2 ALA 11 11.597 9.012 4.527 80 3HB ALA 11 HB3 ALA 11 12.354 7.479 4.099 81 H LEU 12 HN LEU 12 8.853 7.603 2.048 82 HA LEU 12 HA LEU 12 7.918 10.292 1.363 83 1HB LEU 12 HB2 LEU 12 6.623 7.613 0.861 84 2HB LEU 12 HB1 LEU 12 6.072 9.161 0.244 85 HG LEU 12 HG LEU 12 8.653 7.777 -0.476 86 1HD1 LEU 12 HD11 LEU 12 7.660 7.564 -2.683 87 2HD1 LEU 12 HD12 LEU 12 6.182 8.336 -2.108 88 3HD1 LEU 12 HD13 LEU 12 6.660 6.763 -1.469 89 1HD2 LEU 12 HD21 LEU 12 7.517 10.380 -1.481 90 2HD2 LEU 12 HD22 LEU 12 8.995 9.600 -2.037 91 3HD2 LEU 12 HD23 LEU 12 8.890 10.216 -0.390 92 H GLU 13 HN GLU 13 5.700 10.886 1.946 93 HA GLU 13 HA GLU 13 5.102 10.104 4.697 94 1HB GLU 13 HB2 GLU 13 5.265 12.518 4.155 95 2HB GLU 13 HB1 GLU 13 3.933 12.336 3.021 96 1HG GLU 13 HG2 GLU 13 3.190 13.291 5.132 97 2HG GLU 13 HG1 GLU 13 2.444 11.721 4.836 98 H ARG 14 HN ARG 14 3.364 8.922 5.229 99 HA ARG 14 HA ARG 14 1.735 7.933 2.996 100 1HB ARG 14 HB2 ARG 14 2.955 6.225 4.254 101 2HB ARG 14 HB1 ARG 14 2.225 6.778 5.753 102 1HG ARG 14 HG2 ARG 14 0.004 6.139 4.845 103 2HG ARG 14 HG1 ARG 14 0.825 5.458 3.438 104 1HD ARG 14 HD2 ARG 14 1.291 4.620 6.298 105 2HD ARG 14 HD1 ARG 14 0.265 3.765 5.151 106 HE ARG 14 HE ARG 14 2.486 3.681 3.801 107 1HH1 ARG 14 HH11 ARG 14 2.157 3.385 7.277 108 2HH1 ARG 14 HH12 ARG 14 3.519 2.308 7.437 109 1HH2 ARG 14 HH21 ARG 14 4.282 2.261 4.025 110 2HH2 ARG 14 HH22 ARG 14 4.716 1.681 5.599 111 H ASN 15 HN ASN 15 -0.108 9.023 2.773 112 HA ASN 15 HA ASN 15 -1.674 9.561 5.209 113 1HB ASN 15 HB2 ASN 15 -0.858 11.655 4.143 114 2HB ASN 15 HB1 ASN 15 -1.690 11.201 2.660 115 1HD2 ASN 15 HD21 ASN 15 -2.031 12.378 5.898 116 2HD2 ASN 15 HD22 ASN 15 -3.701 12.805 5.784 117 H GLY 16 HN GLY 16 -2.707 7.562 5.037 118 1HA GLY 16 HA2 GLY 16 -4.435 6.181 4.443 119 2HA GLY 16 HA1 GLY 16 -5.114 7.557 3.587 120 H ASP 17 HN ASP 17 -5.408 7.266 1.513 121 HA ASP 17 HA ASP 17 -4.405 4.929 0.184 122 1HB ASP 17 HB2 ASP 17 -6.238 7.176 -0.591 123 2HB ASP 17 HB1 ASP 17 -5.639 6.056 -1.810 124 H THR 18 HN THR 18 -3.084 7.976 0.641 125 HA THR 18 HA THR 18 -1.619 7.794 -1.906 126 HB THR 18 HB THR 18 -2.457 10.376 -0.578 127 HG1 THR 18 HG1 THR 18 -3.890 8.667 -2.068 128 1HG2 THR 18 HG21 THR 18 -1.300 9.800 -3.312 129 2HG2 THR 18 HG22 THR 18 -0.440 10.545 -1.965 130 3HG2 THR 18 HG23 THR 18 -1.798 11.384 -2.715 131 H ALA 19 HN ALA 19 0.517 7.881 -1.789 132 HA ALA 19 HA ALA 19 1.774 8.915 0.667 133 1HB ALA 19 HB1 ALA 19 3.775 7.657 -0.030 134 2HB ALA 19 HB2 ALA 19 2.894 7.056 -1.436 135 3HB ALA 19 HB3 ALA 19 2.379 6.603 0.189 136 H HIS 20 HN HIS 20 2.459 10.933 0.437 137 HA HIS 20 HA HIS 20 2.758 11.976 -2.271 138 1HB HIS 20 HB2 HIS 20 1.328 13.197 -0.654 139 2HB HIS 20 HB1 HIS 20 2.748 13.489 0.346 140 HD1 HIS 20 HD1 HIS 20 1.327 14.376 -3.055 141 HD2 HIS 20 HD2 HIS 20 4.281 15.635 -0.403 142 HE1 HIS 20 HE1 HIS 20 2.194 16.557 -3.974 143 HE2 HIS 20 HE2 HIS 20 3.894 17.356 -2.287 144 H CYS 21 HN CYS 21 4.606 12.451 -3.177 145 HA CYS 21 HA CYS 21 7.074 12.150 -1.644 146 1HB CYS 21 HB2 CYS 21 6.685 10.928 -3.818 147 2HB CYS 21 HB1 CYS 21 6.699 12.491 -4.628 148 H GLU 22 HN GLU 22 7.811 13.986 -0.724 149 HA GLU 22 HA GLU 22 7.030 16.580 -1.532 150 1HB GLU 22 HB2 GLU 22 9.444 15.836 0.128 151 2HB GLU 22 HB1 GLU 22 8.646 17.400 0.079 152 1HG GLU 22 HG2 GLU 22 7.505 14.835 1.155 153 2HG GLU 22 HG1 GLU 22 8.049 16.224 2.091 154 H THR 23 HN THR 23 10.434 15.528 -1.401 155 HA THR 23 HA THR 23 11.254 17.173 -3.543 156 HB THR 23 HB THR 23 13.277 15.622 -3.609 157 HG1 THR 23 HG1 THR 23 12.072 14.516 -1.265 158 1HG2 THR 23 HG21 THR 23 13.244 17.681 -2.290 159 2HG2 THR 23 HG22 THR 23 14.145 16.410 -1.465 160 3HG2 THR 23 HG23 THR 23 12.510 16.810 -0.944 161 H CYS 24 HN CYS 24 11.320 16.819 -5.722 162 HA CYS 24 HA CYS 24 10.214 16.212 -7.608 163 1HB CYS 24 HB2 CYS 24 10.785 14.106 -8.544 164 2HB CYS 24 HB1 CYS 24 12.156 14.585 -7.556 165 H ALA 25 HN ALA 25 8.153 16.698 -7.218 166 HA ALA 25 HA ALA 25 6.398 15.369 -5.506 167 1HB ALA 25 HB1 ALA 25 6.089 17.672 -6.277 168 2HB ALA 25 HB2 ALA 25 4.650 16.687 -6.546 169 3HB ALA 25 HB3 ALA 25 5.719 17.074 -7.895 170 H LYS 26 HN LYS 26 5.579 13.470 -5.645 171 HA LYS 26 HA LYS 26 4.360 12.477 -8.066 172 1HB LYS 26 HB2 LYS 26 6.629 11.007 -6.694 173 2HB LYS 26 HB1 LYS 26 5.500 10.224 -7.787 174 1HG LYS 26 HG2 LYS 26 6.239 11.667 -9.603 175 2HG LYS 26 HG1 LYS 26 7.345 12.493 -8.506 176 1HD LYS 26 HD2 LYS 26 8.612 10.907 -9.765 177 2HD LYS 26 HD1 LYS 26 8.474 10.300 -8.115 178 1HE LYS 26 HE2 LYS 26 8.142 8.502 -9.709 179 2HE LYS 26 HE1 LYS 26 6.653 8.818 -8.821 180 1HZ LYS 26 HZ1 LYS 26 6.504 8.481 -11.327 181 2HZ LYS 26 HZ2 LYS 26 7.147 10.048 -11.464 182 3HZ LYS 26 HZ3 LYS 26 5.671 9.800 -10.665 183 H ASP 27 HN ASP 27 2.429 11.669 -7.437 184 HA ASP 27 HA ASP 27 2.119 10.986 -4.603 185 1HB ASP 27 HB2 ASP 27 0.080 11.682 -6.724 186 2HB ASP 27 HB1 ASP 27 -0.357 11.099 -5.121 187 H PHE 28 HN PHE 28 2.334 8.940 -4.122 188 HA PHE 28 HA PHE 28 1.717 6.912 -6.149 189 1HB PHE 28 HB2 PHE 28 3.231 6.678 -3.538 190 2HB PHE 28 HB1 PHE 28 2.991 5.374 -4.692 191 HD1 PHE 28 HD1 PHE 28 4.133 5.411 -6.861 192 HD2 PHE 28 HD2 PHE 28 4.864 8.375 -3.898 193 HE1 PHE 28 HE1 PHE 28 6.200 6.060 -8.026 194 HE2 PHE 28 HE2 PHE 28 6.931 9.030 -5.057 195 HZ PHE 28 HZ PHE 28 7.603 7.871 -7.123 196 H SER 29 HN SER 29 -0.177 5.902 -6.029 197 HA SER 29 HA SER 29 -1.866 6.000 -3.749 198 1HB SER 29 HB2 SER 29 -2.912 3.985 -5.213 199 2HB SER 29 HB1 SER 29 -3.147 5.686 -5.620 200 HG SER 29 HG SER 29 -1.789 3.754 -6.980 201 H LEU 30 HN LEU 30 -1.742 4.783 -1.950 202 HA LEU 30 HA LEU 30 -0.049 2.381 -2.061 203 1HB LEU 30 HB2 LEU 30 -0.754 4.208 0.218 204 2HB LEU 30 HB1 LEU 30 -0.016 2.638 0.464 205 HG LEU 30 HG LEU 30 1.184 5.018 -0.944 206 1HD1 LEU 30 HD11 LEU 30 1.282 5.102 1.475 207 2HD1 LEU 30 HD12 LEU 30 2.887 4.793 0.809 208 3HD1 LEU 30 HD13 LEU 30 1.959 3.474 1.523 209 1HD2 LEU 30 HD21 LEU 30 1.744 2.984 -2.179 210 2HD2 LEU 30 HD22 LEU 30 2.297 2.226 -0.686 211 3HD2 LEU 30 HD23 LEU 30 3.152 3.625 -1.332 212 H GLN 31 HN GLN 31 -0.729 0.456 -1.355 213 HA GLN 31 HA GLN 31 -3.338 0.248 -0.038 214 1HB GLN 31 HB2 GLN 31 -2.441 -1.295 -2.476 215 2HB GLN 31 HB1 GLN 31 -3.735 -1.854 -1.425 216 1HG GLN 31 HG2 GLN 31 -3.710 0.766 -2.906 217 2HG GLN 31 HG1 GLN 31 -4.577 -0.687 -3.406 218 1HE2 GLN 31 HE21 GLN 31 -5.545 2.010 -2.675 219 2HE2 GLN 31 HE22 GLN 31 -6.690 1.756 -1.405 220 H ALA 32 HN ALA 32 -3.337 -1.172 1.624 221 HA ALA 32 HA ALA 32 -0.820 -2.166 2.526 222 1HB ALA 32 HB1 ALA 32 -2.725 -1.318 3.982 223 2HB ALA 32 HB2 ALA 32 -1.935 -2.802 4.504 224 3HB ALA 32 HB3 ALA 32 -3.496 -2.878 3.699 225 H LEU 33 HN LEU 33 0.105 -4.022 1.939 226 HA LEU 33 HA LEU 33 -1.658 -6.242 1.145 227 1HB LEU 33 HB2 LEU 33 0.279 -5.002 -0.412 228 2HB LEU 33 HB1 LEU 33 1.079 -6.448 0.177 229 HG LEU 33 HG LEU 33 -0.754 -7.825 -0.724 230 1HD1 LEU 33 HD11 LEU 33 -2.387 -6.819 -2.240 231 2HD1 LEU 33 HD12 LEU 33 -1.763 -5.217 -1.849 232 3HD1 LEU 33 HD13 LEU 33 -2.549 -6.184 -0.602 233 1HD2 LEU 33 HD21 LEU 33 1.244 -7.428 -2.063 234 2HD2 LEU 33 HD22 LEU 33 0.516 -5.968 -2.732 235 3HD2 LEU 33 HD23 LEU 33 -0.188 -7.546 -3.084 236 H CYS 34 HN CYS 34 -0.753 -8.384 1.532 237 HA CYS 34 HA CYS 34 0.439 -8.436 4.199 238 1HB CYS 34 HB2 CYS 34 -1.758 -9.674 3.258 239 2HB CYS 34 HB1 CYS 34 -0.569 -10.905 2.876 240 HA PRO 35 HA PRO 35 4.215 -10.073 2.222 241 1HB PRO 35 HB2 PRO 35 5.323 -9.862 4.917 242 2HB PRO 35 HB1 PRO 35 5.821 -9.017 3.450 243 1HG PRO 35 HG2 PRO 35 4.620 -7.759 5.529 244 2HG PRO 35 HG1 PRO 35 4.433 -7.233 3.847 245 1HD PRO 35 HD2 PRO 35 2.559 -8.832 5.550 246 2HD PRO 35 HD1 PRO 35 2.200 -7.521 4.406 247 H ASP 36 HN ASP 36 2.514 -11.912 2.370 248 HA ASP 36 HA ASP 36 3.261 -14.079 4.057 249 1HB ASP 36 HB2 ASP 36 2.315 -12.727 5.800 250 2HB ASP 36 HB1 ASP 36 0.925 -12.315 4.816 251 H CYS 37 HN CYS 37 -0.013 -13.020 3.196 252 HA CYS 37 HA CYS 37 -0.237 -15.315 1.398 253 1HB CYS 37 HB2 CYS 37 -2.723 -13.965 1.593 254 2HB CYS 37 HB1 CYS 37 -2.280 -15.514 2.298 255 H ARG 38 HN ARG 38 -0.201 -11.886 1.515 256 HA ARG 38 HA ARG 38 -0.035 -10.252 -0.011 257 1HB ARG 38 HB2 ARG 38 1.797 -11.896 -0.728 258 2HB ARG 38 HB1 ARG 38 0.721 -12.314 -2.055 259 1HG ARG 38 HG2 ARG 38 0.753 -10.056 -2.864 260 2HG ARG 38 HG1 ARG 38 1.685 -9.532 -1.460 261 1HD ARG 38 HD2 ARG 38 3.525 -10.997 -2.161 262 2HD ARG 38 HD1 ARG 38 2.593 -11.463 -3.585 263 HE ARG 38 HE ARG 38 2.937 -8.633 -3.345 264 1HH1 ARG 38 HH11 ARG 38 4.445 -11.589 -4.421 265 2HH1 ARG 38 HH12 ARG 38 5.423 -10.808 -5.623 266 1HH2 ARG 38 HH21 ARG 38 4.241 -7.586 -4.911 267 2HH2 ARG 38 HH22 ARG 38 5.326 -8.527 -5.885 268 H GLN 39 HN GLN 39 -2.548 -11.876 0.188 269 HA GLN 39 HA GLN 39 -3.860 -11.482 -2.320 270 1HB GLN 39 HB2 GLN 39 -4.936 -11.807 0.490 271 2HB GLN 39 HB1 GLN 39 -5.944 -11.743 -0.949 272 1HG GLN 39 HG2 GLN 39 -4.792 -13.758 -1.792 273 2HG GLN 39 HG1 GLN 39 -3.896 -13.840 -0.276 274 1HE2 GLN 39 HE21 GLN 39 -4.766 -15.854 0.219 275 2HE2 GLN 39 HE22 GLN 39 -6.409 -16.038 0.736 276 HA PRO 40 HA PRO 40 -4.880 -7.139 -1.978 277 1HB PRO 40 HB2 PRO 40 -7.747 -7.724 -2.368 278 2HB PRO 40 HB1 PRO 40 -6.652 -6.762 -3.363 279 1HG PRO 40 HG2 PRO 40 -7.528 -9.161 -4.169 280 2HG PRO 40 HG1 PRO 40 -5.885 -8.601 -4.535 281 1HD PRO 40 HD2 PRO 40 -6.812 -10.526 -2.436 282 2HD PRO 40 HD1 PRO 40 -5.379 -10.605 -3.483 283 H LEU 41 HN LEU 41 -5.938 -9.422 0.152 284 HA LEU 41 HA LEU 41 -6.578 -9.424 2.305 285 1HB LEU 41 HB2 LEU 41 -5.922 -6.490 2.072 286 2HB LEU 41 HB1 LEU 41 -6.387 -7.257 3.581 287 HG LEU 41 HG LEU 41 -3.954 -7.946 1.927 288 1HD1 LEU 41 HD11 LEU 41 -3.739 -5.805 3.072 289 2HD1 LEU 41 HD12 LEU 41 -2.687 -7.022 3.796 290 3HD1 LEU 41 HD13 LEU 41 -4.190 -6.568 4.595 291 1HD2 LEU 41 HD21 LEU 41 -5.089 -9.109 4.451 292 2HD2 LEU 41 HD22 LEU 41 -3.393 -9.277 4.015 293 3HD2 LEU 41 HD23 LEU 41 -4.640 -9.941 2.959 294 H GLN 42 HN GLN 42 -8.132 -7.936 3.877 295 HA GLN 42 HA GLN 42 -10.613 -7.762 2.316 296 1HB GLN 42 HB2 GLN 42 -10.536 -9.591 3.989 297 2HB GLN 42 HB1 GLN 42 -10.276 -8.399 5.254 298 1HG GLN 42 HG2 GLN 42 -12.442 -7.498 4.980 299 2HG GLN 42 HG1 GLN 42 -12.695 -8.386 3.477 300 1HE2 GLN 42 HE21 GLN 42 -13.225 -10.549 3.546 301 2HE2 GLN 42 HE22 GLN 42 -13.715 -11.344 5.010 302 H VAL 43 HN VAL 43 -11.458 -5.830 2.121 303 HA VAL 43 HA VAL 43 -10.236 -3.572 3.366 304 HB VAL 43 HB VAL 43 -12.833 -3.582 1.816 305 1HG1 VAL 43 HG11 VAL 43 -12.354 -1.507 2.952 306 2HG1 VAL 43 HG12 VAL 43 -12.177 -1.299 1.209 307 3HG1 VAL 43 HG13 VAL 43 -10.746 -1.450 2.228 308 1HG2 VAL 43 HG21 VAL 43 -11.172 -4.767 0.497 309 2HG2 VAL 43 HG22 VAL 43 -10.038 -3.430 0.698 310 3HG2 VAL 43 HG23 VAL 43 -11.529 -3.194 -0.214 311 H LEU 44 HN LEU 44 -10.703 -2.810 5.298 312 HA LEU 44 HA LEU 44 -13.342 -3.431 6.433 313 1HB LEU 44 HB2 LEU 44 -10.780 -2.831 7.908 314 2HB LEU 44 HB1 LEU 44 -12.304 -3.340 8.617 315 HG LEU 44 HG LEU 44 -10.548 -4.994 6.802 316 1HD1 LEU 44 HD11 LEU 44 -10.186 -6.381 8.742 317 2HD1 LEU 44 HD12 LEU 44 -11.212 -5.325 9.715 318 3HD1 LEU 44 HD13 LEU 44 -9.683 -4.723 9.074 319 1HD2 LEU 44 HD21 LEU 44 -13.142 -5.719 8.155 320 2HD2 LEU 44 HD22 LEU 44 -12.116 -6.806 7.218 321 3HD2 LEU 44 HD23 LEU 44 -12.920 -5.450 6.427 322 H LYS 45 HN LYS 45 -14.522 -1.730 5.920 323 HA LYS 45 HA LYS 45 -13.472 0.961 6.017 324 1HB LYS 45 HB2 LYS 45 -16.288 0.012 5.437 325 2HB LYS 45 HB1 LYS 45 -15.628 1.609 5.100 326 1HG LYS 45 HG2 LYS 45 -14.185 0.746 3.418 327 2HG LYS 45 HG1 LYS 45 -14.556 -0.918 3.868 328 1HD LYS 45 HD2 LYS 45 -16.940 -0.454 3.222 329 2HD LYS 45 HD1 LYS 45 -16.387 1.092 2.570 330 1HE LYS 45 HE2 LYS 45 -14.947 -0.017 1.003 331 2HE LYS 45 HE1 LYS 45 -15.282 -1.584 1.735 332 1HZ LYS 45 HZ1 LYS 45 -16.596 -1.484 -0.179 333 2HZ LYS 45 HZ2 LYS 45 -17.101 0.106 0.119 334 3HZ LYS 45 HZ3 LYS 45 -17.678 -1.164 1.091 335 H ALA 46 HN ALA 46 -13.240 1.797 7.986 336 HA ALA 46 HA ALA 46 -15.234 1.219 10.054 337 1HB ALA 46 HB1 ALA 46 -12.523 2.528 10.281 338 2HB ALA 46 HB2 ALA 46 -12.880 0.835 10.618 339 3HB ALA 46 HB3 ALA 46 -13.586 2.100 11.622 340 H CYS 47 HN CYS 47 -15.450 3.220 11.630 341 HA CYS 47 HA CYS 47 -16.711 5.292 10.126 342 1HB CYS 47 HB2 CYS 47 -16.066 5.157 13.082 343 2HB CYS 47 HB1 CYS 47 -17.160 6.311 12.321 344 HG CYS 47 HG CYS 47 -18.936 4.279 11.432 345 H GLY 48 HN GLY 48 -15.432 6.557 8.935 346 1HA GLY 48 HA2 GLY 48 -13.970 8.281 8.494 347 2HA GLY 48 HA1 GLY 48 -13.695 8.427 10.223 348 H ALA 49 HN ALA 49 -13.213 5.358 8.686 349 HA ALA 49 HA ALA 49 -10.359 5.777 8.372 350 1HB ALA 49 HB1 ALA 49 -9.714 3.997 9.901 351 2HB ALA 49 HB2 ALA 49 -11.401 3.756 10.356 352 3HB ALA 49 HB3 ALA 49 -10.585 5.265 10.764 353 H VAL 50 HN VAL 50 -9.336 4.151 7.168 354 HA VAL 50 HA VAL 50 -11.020 1.952 6.205 355 HB VAL 50 HB VAL 50 -9.929 2.281 3.900 356 1HG1 VAL 50 HG11 VAL 50 -11.674 3.842 3.184 357 2HG1 VAL 50 HG12 VAL 50 -11.968 4.283 4.866 358 3HG1 VAL 50 HG13 VAL 50 -12.302 2.642 4.313 359 1HG2 VAL 50 HG21 VAL 50 -9.531 5.059 5.017 360 2HG2 VAL 50 HG22 VAL 50 -9.354 4.602 3.323 361 3HG2 VAL 50 HG23 VAL 50 -8.259 3.935 4.534 362 H ASP 51 HN ASP 51 -9.988 0.225 6.997 363 HA ASP 51 HA ASP 51 -7.054 0.133 6.731 364 1HB ASP 51 HB2 ASP 51 -8.835 -1.435 8.607 365 2HB ASP 51 HB1 ASP 51 -7.092 -1.639 8.454 366 H TYR 52 HN TYR 52 -6.107 -1.895 6.154 367 HA TYR 52 HA TYR 52 -7.890 -3.695 4.669 368 1HB TYR 52 HB2 TYR 52 -5.293 -2.470 3.745 369 2HB TYR 52 HB1 TYR 52 -5.955 -3.921 3.007 370 HD1 TYR 52 HD1 TYR 52 -6.919 -0.405 3.840 371 HD2 TYR 52 HD2 TYR 52 -7.346 -3.693 1.172 372 HE1 TYR 52 HE1 TYR 52 -8.270 0.996 2.338 373 HE2 TYR 52 HE2 TYR 52 -8.702 -2.300 -0.333 374 HH TYR 52 HH TYR 52 -8.967 1.113 0.056 375 H PHE 53 HN PHE 53 -7.828 -5.441 5.987 376 HA PHE 53 HA PHE 53 -5.429 -6.982 5.908 377 1HB PHE 53 HB2 PHE 53 -5.236 -7.389 8.371 378 2HB PHE 53 HB1 PHE 53 -4.670 -5.829 7.807 379 HD1 PHE 53 HD1 PHE 53 -7.376 -7.559 9.618 380 HD2 PHE 53 HD2 PHE 53 -5.586 -3.823 8.629 381 HE1 PHE 53 HE1 PHE 53 -8.706 -6.461 11.375 382 HE2 PHE 53 HE2 PHE 53 -6.929 -2.717 10.372 383 HZ PHE 53 HZ PHE 53 -8.484 -4.037 11.752 384 H CYS 54 HN CYS 54 -5.673 -9.137 6.506 385 HA CYS 54 HA CYS 54 -8.297 -10.049 5.802 386 1HB CYS 54 HB2 CYS 54 -7.100 -12.342 5.956 387 2HB CYS 54 HB1 CYS 54 -6.620 -11.228 4.686 388 H GLN 55 HN GLN 55 -9.759 -9.910 7.448 389 HA GLN 55 HA GLN 55 -9.242 -10.347 10.165 390 1HB GLN 55 HB2 GLN 55 -11.849 -10.812 8.705 391 2HB GLN 55 HB1 GLN 55 -11.667 -10.654 10.443 392 1HG GLN 55 HG2 GLN 55 -10.787 -8.339 10.033 393 2HG GLN 55 HG1 GLN 55 -11.275 -8.538 8.349 394 1HE2 GLN 55 HE21 GLN 55 -13.495 -8.766 7.867 395 2HE2 GLN 55 HE22 GLN 55 -14.711 -8.203 8.965 396 H ASN 56 HN ASN 56 -10.512 -12.559 7.706 397 HA ASN 56 HA ASN 56 -9.984 -14.795 9.540 398 1HB ASN 56 HB2 ASN 56 -12.384 -14.407 8.845 399 2HB ASN 56 HB1 ASN 56 -11.899 -14.797 7.199 400 1HD2 ASN 56 HD21 ASN 56 -13.322 -16.548 7.184 401 2HD2 ASN 56 HD22 ASN 56 -12.955 -18.020 8.026 402 H GLY 57 HN GLY 57 -9.646 -16.918 8.155 403 1HA GLY 57 HA2 GLY 57 -8.343 -18.024 6.570 404 2HA GLY 57 HA1 GLY 57 -7.987 -16.472 5.815 405 H HIS 58 HN HIS 58 -6.808 -14.973 7.495 406 HA HIS 58 HA HIS 58 -4.696 -16.529 8.832 407 1HB HIS 58 HB2 HIS 58 -3.634 -15.488 6.983 408 2HB HIS 58 HB1 HIS 58 -4.513 -13.988 7.212 409 HD2 HIS 58 HD2 HIS 58 -3.157 -14.581 10.609 410 HE1 HIS 58 HE1 HIS 58 -0.053 -12.560 8.559 411 HE2 HIS 58 HE2 HIS 58 -1.103 -13.027 10.795 412 H GLY 59 HN GLY 59 -5.767 -13.118 8.806 413 1HA GLY 59 HA2 GLY 59 -6.975 -12.468 10.953 414 2HA GLY 59 HA1 GLY 59 -5.584 -13.198 11.743 415 H LEU 60 HN LEU 60 -6.311 -10.585 12.181 416 HA LEU 60 HA LEU 60 -5.256 -8.545 10.673 417 1HB LEU 60 HB2 LEU 60 -6.509 -7.938 12.546 418 2HB LEU 60 HB1 LEU 60 -5.589 -8.967 13.625 419 HG LEU 60 HG LEU 60 -3.649 -7.346 13.273 420 1HD1 LEU 60 HD11 LEU 60 -4.242 -5.077 12.618 421 2HD1 LEU 60 HD12 LEU 60 -5.874 -5.616 12.219 422 3HD1 LEU 60 HD13 LEU 60 -4.495 -6.217 11.296 423 1HD2 LEU 60 HD21 LEU 60 -4.915 -7.457 15.336 424 2HD2 LEU 60 HD22 LEU 60 -6.147 -6.392 14.658 425 3HD2 LEU 60 HD23 LEU 60 -4.517 -5.784 14.946 426 H ILE 61 HN ILE 61 -3.323 -7.756 10.211 427 HA ILE 61 HA ILE 61 -0.956 -8.762 11.646 428 HB ILE 61 HB ILE 61 -0.905 -7.333 8.982 429 1HG1 ILE 61 HG12 ILE 61 -0.383 -9.774 8.141 430 2HG1 ILE 61 HG11 ILE 61 -1.330 -10.245 9.547 431 1HG2 ILE 61 HG21 ILE 61 1.106 -9.091 10.382 432 2HG2 ILE 61 HG22 ILE 61 1.183 -7.337 10.211 433 3HG2 ILE 61 HG23 ILE 61 1.316 -8.369 8.787 434 1HD1 ILE 61 HD11 ILE 61 -2.269 -8.477 7.299 435 2HD1 ILE 61 HD12 ILE 61 -3.221 -8.954 8.705 436 3HD1 ILE 61 HD13 ILE 61 -2.694 -10.171 7.543 437 H SER 62 HN SER 62 0.377 -7.228 12.627 438 HA SER 62 HA SER 62 -0.674 -4.792 13.427 439 1HB SER 62 HB2 SER 62 2.268 -5.457 13.142 440 2HB SER 62 HB1 SER 62 1.560 -4.244 14.211 441 HG SER 62 HG SER 62 1.703 -6.995 14.480 442 H LYS 63 HN LYS 63 -1.079 -2.978 12.351 443 HA LYS 63 HA LYS 63 -0.695 -2.938 9.555 444 1HB LYS 63 HB2 LYS 63 -1.835 -0.777 9.604 445 2HB LYS 63 HB1 LYS 63 -2.665 -1.981 10.576 446 1HG LYS 63 HG2 LYS 63 -1.589 -0.984 12.593 447 2HG LYS 63 HG1 LYS 63 -0.964 0.299 11.555 448 1HD LYS 63 HD2 LYS 63 -2.995 1.067 12.598 449 2HD LYS 63 HD1 LYS 63 -3.300 0.816 10.877 450 1HE LYS 63 HE2 LYS 63 -4.225 -1.428 11.439 451 2HE LYS 63 HE1 LYS 63 -4.049 -1.025 13.146 452 1HZ LYS 63 HZ1 LYS 63 -5.804 0.305 11.151 453 2HZ LYS 63 HZ2 LYS 63 -5.515 0.926 12.705 454 3HZ LYS 63 HZ3 LYS 63 -6.279 -0.576 12.523 455 H LYS 64 HN LYS 64 1.427 -1.967 11.979 456 HA LYS 64 HA LYS 64 2.727 0.136 10.518 457 1HB LYS 64 HB2 LYS 64 3.729 -1.522 12.839 458 2HB LYS 64 HB1 LYS 64 4.515 -0.085 12.200 459 1HG LYS 64 HG2 LYS 64 2.463 1.205 12.782 460 2HG LYS 64 HG1 LYS 64 1.846 -0.244 13.576 461 1HD LYS 64 HD2 LYS 64 2.815 0.868 15.348 462 2HD LYS 64 HD1 LYS 64 4.130 -0.189 14.837 463 1HE LYS 64 HE2 LYS 64 3.797 2.715 14.088 464 2HE LYS 64 HE1 LYS 64 4.916 2.086 15.291 465 1HZ LYS 64 HZ1 LYS 64 5.978 0.802 13.465 466 2HZ LYS 64 HZ2 LYS 64 6.104 2.482 13.294 467 3HZ LYS 64 HZ3 LYS 64 4.987 1.626 12.358 468 H ARG 65 HN ARG 65 2.972 -3.330 10.742 469 HA ARG 65 HA ARG 65 5.417 -3.287 9.118 470 1HB ARG 65 HB2 ARG 65 4.269 -5.354 10.975 471 2HB ARG 65 HB1 ARG 65 5.515 -5.759 9.801 472 1HG ARG 65 HG2 ARG 65 7.004 -4.102 10.802 473 2HG ARG 65 HG1 ARG 65 5.753 -3.687 11.975 474 1HD ARG 65 HD2 ARG 65 5.860 -5.848 12.969 475 2HD ARG 65 HD1 ARG 65 6.884 -6.459 11.669 476 HE ARG 65 HE ARG 65 8.491 -4.615 12.580 477 1HH1 ARG 65 HH11 ARG 65 6.341 -6.594 14.516 478 2HH1 ARG 65 HH12 ARG 65 7.438 -6.690 15.860 479 1HH2 ARG 65 HH21 ARG 65 9.920 -4.725 14.376 480 2HH2 ARG 65 HH22 ARG 65 9.452 -5.639 15.781 481 H VAL 66 HN VAL 66 2.184 -3.497 8.704 482 HA VAL 66 HA VAL 66 2.002 -5.506 6.698 483 HB VAL 66 HB VAL 66 0.339 -3.000 7.072 484 1HG1 VAL 66 HG11 VAL 66 0.132 -3.804 4.802 485 2HG1 VAL 66 HG12 VAL 66 -1.341 -4.175 5.700 486 3HG1 VAL 66 HG13 VAL 66 -0.160 -5.444 5.379 487 1HG2 VAL 66 HG21 VAL 66 -0.163 -5.849 7.917 488 2HG2 VAL 66 HG22 VAL 66 -1.289 -4.504 8.104 489 3HG2 VAL 66 HG23 VAL 66 0.239 -4.503 8.983 490 H ASN 67 HN ASN 67 2.445 -5.379 4.510 491 HA ASN 67 HA ASN 67 4.281 -3.240 3.850 492 1HB ASN 67 HB2 ASN 67 4.895 -5.579 3.338 493 2HB ASN 67 HB1 ASN 67 3.533 -5.683 2.224 494 1HD2 ASN 67 HD21 ASN 67 5.000 -6.162 0.538 495 2HD2 ASN 67 HD22 ASN 67 5.939 -4.911 -0.201 496 H PHE 68 HN PHE 68 3.081 -1.448 3.501 497 HA PHE 68 HA PHE 68 0.853 -1.377 1.722 498 1HB PHE 68 HB2 PHE 68 2.624 0.780 2.883 499 2HB PHE 68 HB1 PHE 68 1.302 1.137 1.778 500 HD1 PHE 68 HD2 PHE 68 2.058 -0.456 5.051 501 HD2 PHE 68 HD1 PHE 68 -0.861 1.396 2.571 502 HE1 PHE 68 HE2 PHE 68 0.489 -0.403 6.943 503 HE2 PHE 68 HE1 PHE 68 -2.435 1.453 4.458 504 HZ PHE 68 HZ PHE 68 -1.762 0.552 6.649 505 H VAL 69 HN VAL 69 1.088 -1.869 -0.339 506 HA VAL 69 HA VAL 69 3.614 -1.282 -1.691 507 HB VAL 69 HB VAL 69 2.782 -2.733 -3.494 508 1HG1 VAL 69 HG11 VAL 69 4.070 -3.735 -1.707 509 2HG1 VAL 69 HG12 VAL 69 2.825 -4.856 -2.256 510 3HG1 VAL 69 HG13 VAL 69 2.607 -3.966 -0.749 511 1HG2 VAL 69 HG21 VAL 69 0.718 -4.027 -3.201 512 2HG2 VAL 69 HG22 VAL 69 0.394 -2.295 -3.287 513 3HG2 VAL 69 HG23 VAL 69 0.365 -3.122 -1.728 514 H ILE 70 HN ILE 70 3.545 -0.406 -3.880 515 HA ILE 70 HA ILE 70 1.729 1.840 -3.988 516 HB ILE 70 HB ILE 70 3.960 1.050 -5.872 517 1HG1 ILE 70 HG12 ILE 70 3.860 3.125 -3.666 518 2HG1 ILE 70 HG11 ILE 70 4.704 1.583 -3.574 519 1HG2 ILE 70 HG21 ILE 70 2.384 3.618 -5.670 520 2HG2 ILE 70 HG22 ILE 70 2.290 2.439 -6.978 521 3HG2 ILE 70 HG23 ILE 70 3.779 3.348 -6.717 522 1HD1 ILE 70 HD11 ILE 70 5.332 3.825 -5.477 523 2HD1 ILE 70 HD12 ILE 70 6.187 2.286 -5.375 524 3HD1 ILE 70 HD13 ILE 70 6.233 3.412 -4.019 525 H SER 71 HN SER 71 -0.192 1.623 -4.815 526 HA SER 71 HA SER 71 -0.909 -0.546 -6.542 527 1HB SER 71 HB2 SER 71 -2.472 0.342 -4.848 528 2HB SER 71 HB1 SER 71 -2.504 1.889 -5.691 529 HG SER 71 HG SER 71 -4.174 0.056 -6.091 530 H ASP 72 HN ASP 72 0.571 -0.107 -8.251 531 HA ASP 72 HA ASP 72 0.382 2.216 -9.883 532 1HB ASP 72 HB2 ASP 72 2.345 0.647 -9.806 533 2HB ASP 72 HB1 ASP 72 1.369 -0.542 -10.662 534 H GLN 73 HN GLN 73 -0.669 -1.131 -10.422 535 HA GLN 73 HA GLN 73 -3.133 -0.213 -11.649 536 1HB GLN 73 HB2 GLN 73 -1.038 -1.811 -13.118 537 2HB GLN 73 HB1 GLN 73 -2.729 -1.817 -13.597 538 1HG GLN 73 HG2 GLN 73 -2.678 0.470 -14.158 539 2HG GLN 73 HG1 GLN 73 -1.134 0.713 -13.343 540 1HE2 GLN 73 HE21 GLN 73 0.744 0.065 -14.315 541 2HE2 GLN 73 HE22 GLN 73 0.834 -0.341 -16.006 542 H LEU 74 HN LEU 74 -4.295 -1.208 -10.034 543 HA LEU 74 HA LEU 74 -3.883 -4.013 -9.459 544 1HB LEU 74 HB2 LEU 74 -6.031 -2.073 -8.606 545 2HB LEU 74 HB1 LEU 74 -5.997 -3.756 -8.116 546 HG LEU 74 HG LEU 74 -3.931 -1.661 -7.443 547 1HD1 LEU 74 HD11 LEU 74 -4.721 -1.959 -5.160 548 2HD1 LEU 74 HD12 LEU 74 -5.926 -3.119 -5.716 549 3HD1 LEU 74 HD13 LEU 74 -6.032 -1.431 -6.214 550 1HD2 LEU 74 HD21 LEU 74 -4.067 -4.570 -6.655 551 2HD2 LEU 74 HD22 LEU 74 -2.897 -3.390 -6.063 552 3HD2 LEU 74 HD23 LEU 74 -2.900 -3.853 -7.765 553 H GLU 75 HN GLU 75 -5.380 -5.677 -9.911 554 HA GLU 75 HA GLU 75 -6.567 -5.457 -12.511 555 1HB GLU 75 HB2 GLU 75 -6.665 -7.733 -10.524 556 2HB GLU 75 HB1 GLU 75 -7.107 -7.828 -12.225 557 1HG GLU 75 HG2 GLU 75 -4.798 -7.277 -12.841 558 2HG GLU 75 HG1 GLU 75 -4.367 -7.221 -11.133 559 H HIS 76 HN HIS 76 -7.608 -4.391 -9.652 560 HA HIS 76 HA HIS 76 -10.438 -4.977 -10.155 561 1HB HIS 76 HB2 HIS 76 -9.616 -5.375 -7.857 562 2HB HIS 76 HB1 HIS 76 -9.101 -3.698 -7.750 563 HD1 HIS 76 HD1 HIS 76 -10.641 -2.448 -6.303 564 HD2 HIS 76 HD2 HIS 76 -12.655 -5.267 -8.609 565 HE1 HIS 76 HE1 HIS 76 -13.073 -2.183 -5.728 566 HE2 HIS 76 HE2 HIS 76 -14.285 -3.728 -7.306 567 H HIS 77 HN HIS 77 -8.351 -2.993 -11.395 568 HA HIS 77 HA HIS 77 -9.303 -0.378 -10.931 569 1HB HIS 77 HB2 HIS 77 -7.140 -1.076 -12.110 570 2HB HIS 77 HB1 HIS 77 -8.130 -1.356 -13.538 571 HD1 HIS 77 HD1 HIS 77 -8.681 0.654 -14.968 572 HD2 HIS 77 HD2 HIS 77 -7.072 1.688 -11.265 573 HE1 HIS 77 HE1 HIS 77 -8.272 3.137 -15.065 574 HE2 HIS 77 HE2 HIS 77 -7.305 3.746 -12.815 575 H HIS 78 HN HIS 78 -10.803 0.878 -12.061 576 HA HIS 78 HA HIS 78 -13.093 -0.569 -12.936 577 1HB HIS 78 HB2 HIS 78 -13.207 1.588 -11.708 578 2HB HIS 78 HB1 HIS 78 -12.558 2.402 -13.126 579 HD1 HIS 78 HD1 HIS 78 -14.258 3.351 -14.653 580 HD2 HIS 78 HD2 HIS 78 -15.793 0.243 -12.348 581 HE1 HIS 78 HE1 HIS 78 -16.707 3.228 -15.218 582 HE2 HIS 78 HE2 HIS 78 -17.649 1.487 -13.655 583 H HIS 79 HN HIS 79 -12.308 -1.758 -14.714 584 HA HIS 79 HA HIS 79 -11.656 -0.308 -17.149 585 1HB HIS 79 HB2 HIS 79 -10.514 -2.459 -16.552 586 2HB HIS 79 HB1 HIS 79 -12.055 -3.285 -16.742 587 HD1 HIS 79 HD1 HIS 79 -9.085 -2.324 -18.574 588 HD2 HIS 79 HD2 HIS 79 -13.063 -3.104 -19.517 589 HE1 HIS 79 HE1 HIS 79 -9.130 -2.734 -21.054 590 HE2 HIS 79 HE2 HIS 79 -11.504 -3.424 -21.558 591 H HIS 80 HN HIS 80 -14.031 -2.810 -16.279 592 HA HIS 80 HA HIS 80 -16.227 -1.314 -17.331 593 1HB HIS 80 HB2 HIS 80 -15.227 -2.193 -19.435 594 2HB HIS 80 HB1 HIS 80 -15.393 -3.828 -18.809 595 HD1 HIS 80 HD1 HIS 80 -17.291 -1.087 -20.442 596 HD2 HIS 80 HD2 HIS 80 -18.070 -4.803 -18.734 597 HE1 HIS 80 HE1 HIS 80 -19.618 -1.699 -21.171 598 HE2 HIS 80 HE2 HIS 80 -20.134 -3.854 -19.972 599 H HIS 81 HN HIS 81 -17.970 -1.874 -16.188 600 HA HIS 81 HA HIS 81 -17.936 -4.500 -14.850 601 1HB HIS 81 HB2 HIS 81 -17.905 -2.558 -13.310 602 2HB HIS 81 HB1 HIS 81 -19.407 -1.985 -14.024 603 HD1 HIS 81 HD1 HIS 81 -18.055 -4.354 -11.519 604 HD2 HIS 81 HD2 HIS 81 -21.699 -3.577 -13.379 605 HE1 HIS 81 HE1 HIS 81 -19.785 -5.559 -10.158 606 HE2 HIS 81 HE2 HIS 81 -21.942 -5.244 -11.417 Start of MODEL 9 1 1H MET 1 HT1 MET 1 15.086 1.221 4.335 2 2H MET 1 HT2 MET 1 14.361 0.595 2.934 3 3H MET 1 HT3 MET 1 15.053 -0.457 4.066 4 HA MET 1 HA MET 1 12.667 -0.481 4.220 5 1HB MET 1 HB2 MET 1 12.445 0.062 6.632 6 2HB MET 1 HB1 MET 1 13.859 -0.911 6.268 7 1HG MET 1 HG2 MET 1 13.886 2.065 6.719 8 2HG MET 1 HG1 MET 1 14.287 0.850 7.931 9 1HE MET 1 HE1 MET 1 16.640 1.821 8.447 10 2HE MET 1 HE2 MET 1 16.296 3.162 7.353 11 3HE MET 1 HE3 MET 1 17.817 2.279 7.216 12 H GLU 2 HN GLU 2 13.826 2.365 3.250 13 HA GLU 2 HA GLU 2 11.322 3.796 3.837 14 1HB GLU 2 HB2 GLU 2 13.671 4.842 4.216 15 2HB GLU 2 HB1 GLU 2 13.749 4.957 2.466 16 1HG GLU 2 HG2 GLU 2 11.459 6.141 3.992 17 2HG GLU 2 HG1 GLU 2 12.986 7.001 3.816 18 H ILE 3 HN ILE 3 10.003 4.429 2.079 19 HA ILE 3 HA ILE 3 9.957 2.570 -0.041 20 HB ILE 3 HB ILE 3 8.485 5.200 0.024 21 1HG1 ILE 3 HG12 ILE 3 7.633 2.532 1.178 22 2HG1 ILE 3 HG11 ILE 3 8.151 3.922 2.126 23 1HG2 ILE 3 HG21 ILE 3 8.407 4.067 -2.121 24 2HG2 ILE 3 HG22 ILE 3 6.830 3.979 -1.335 25 3HG2 ILE 3 HG23 ILE 3 7.895 2.573 -1.337 26 1HD1 ILE 3 HD11 ILE 3 5.741 3.834 0.327 27 2HD1 ILE 3 HD12 ILE 3 6.248 5.198 1.324 28 3HD1 ILE 3 HD13 ILE 3 5.725 3.696 2.085 29 H THR 4 HN THR 4 10.551 6.034 -0.034 30 HA THR 4 HA THR 4 11.886 7.387 -1.264 31 HB THR 4 HB THR 4 13.195 4.906 -2.387 32 HG1 THR 4 HG1 THR 4 13.244 6.052 0.167 33 1HG2 THR 4 HG21 THR 4 14.236 7.694 -1.862 34 2HG2 THR 4 HG22 THR 4 13.832 7.025 -3.446 35 3HG2 THR 4 HG23 THR 4 15.169 6.347 -2.516 36 H CYS 5 HN CYS 5 11.310 8.529 -3.002 37 HA CYS 5 HA CYS 5 9.900 7.341 -5.202 38 1HB CYS 5 HB2 CYS 5 9.474 9.678 -4.510 39 2HB CYS 5 HB1 CYS 5 11.123 10.107 -4.948 40 HA PRO 6 HA PRO 6 13.676 5.690 -6.832 41 1HB PRO 6 HB2 PRO 6 12.629 4.865 -9.245 42 2HB PRO 6 HB1 PRO 6 12.509 3.959 -7.734 43 1HG PRO 6 HG2 PRO 6 10.506 5.760 -9.033 44 2HG PRO 6 HG1 PRO 6 10.255 4.203 -8.219 45 1HD PRO 6 HD2 PRO 6 9.690 6.526 -7.006 46 2HD PRO 6 HD1 PRO 6 10.364 5.152 -6.105 47 H VAL 7 HN VAL 7 11.816 8.150 -8.450 48 HA VAL 7 HA VAL 7 13.995 8.600 -10.360 49 HB VAL 7 HB VAL 7 12.428 10.092 -11.548 50 1HG1 VAL 7 HG11 VAL 7 11.361 7.327 -10.988 51 2HG1 VAL 7 HG12 VAL 7 12.570 7.760 -12.197 52 3HG1 VAL 7 HG13 VAL 7 10.912 8.338 -12.362 53 1HG2 VAL 7 HG21 VAL 7 10.069 10.140 -10.928 54 2HG2 VAL 7 HG22 VAL 7 11.075 10.810 -9.644 55 3HG2 VAL 7 HG23 VAL 7 10.418 9.180 -9.491 56 H CYS 8 HN CYS 8 13.472 9.522 -7.352 57 HA CYS 8 HA CYS 8 14.552 12.213 -7.842 58 1HB CYS 8 HB2 CYS 8 12.474 11.483 -5.774 59 2HB CYS 8 HB1 CYS 8 13.288 13.041 -5.874 60 H HIS 9 HN HIS 9 14.525 9.316 -5.939 61 HA HIS 9 HA HIS 9 15.934 8.458 -4.387 62 1HB HIS 9 HB2 HIS 9 17.691 9.237 -5.991 63 2HB HIS 9 HB1 HIS 9 17.785 10.751 -5.101 64 HD1 HIS 9 HD1 HIS 9 20.147 10.518 -4.246 65 HD2 HIS 9 HD2 HIS 9 17.761 7.233 -3.338 66 HE1 HIS 9 HE1 HIS 9 21.496 9.122 -2.645 67 HE2 HIS 9 HE2 HIS 9 19.955 7.243 -1.963 68 H HIS 10 HN HIS 10 14.058 10.823 -3.928 69 HA HIS 10 HA HIS 10 15.153 11.871 -1.433 70 1HB HIS 10 HB2 HIS 10 12.796 12.652 -3.135 71 2HB HIS 10 HB1 HIS 10 12.945 13.216 -1.473 72 HD1 HIS 10 HD1 HIS 10 13.410 14.572 -4.590 73 HD2 HIS 10 HD2 HIS 10 15.938 14.225 -1.308 74 HE1 HIS 10 HE1 HIS 10 15.186 16.326 -4.913 75 HE2 HIS 10 HE2 HIS 10 16.762 16.033 -2.965 76 H ALA 11 HN ALA 11 13.796 11.876 0.484 77 HA ALA 11 HA ALA 11 12.665 9.257 0.920 78 1HB ALA 11 HB1 ALA 11 12.928 11.620 2.778 79 2HB ALA 11 HB2 ALA 11 14.064 10.280 2.634 80 3HB ALA 11 HB3 ALA 11 12.435 9.994 3.248 81 H LEU 12 HN LEU 12 10.583 8.754 0.734 82 HA LEU 12 HA LEU 12 8.739 10.706 -0.185 83 1HB LEU 12 HB2 LEU 12 8.476 7.810 0.551 84 2HB LEU 12 HB1 LEU 12 7.067 8.773 0.148 85 HG LEU 12 HG LEU 12 9.428 8.276 -1.670 86 1HD1 LEU 12 HD11 LEU 12 8.059 6.288 -1.367 87 2HD1 LEU 12 HD12 LEU 12 7.832 6.960 -2.982 88 3HD1 LEU 12 HD13 LEU 12 6.606 7.217 -1.740 89 1HD2 LEU 12 HD21 LEU 12 6.830 9.727 -2.163 90 2HD2 LEU 12 HD22 LEU 12 8.065 9.378 -3.373 91 3HD2 LEU 12 HD23 LEU 12 8.425 10.469 -2.035 92 H GLU 13 HN GLU 13 7.722 12.115 0.956 93 HA GLU 13 HA GLU 13 7.373 11.960 3.785 94 1HB GLU 13 HB2 GLU 13 7.643 14.098 2.613 95 2HB GLU 13 HB1 GLU 13 6.165 13.806 1.711 96 1HG GLU 13 HG2 GLU 13 4.899 13.875 3.821 97 2HG GLU 13 HG1 GLU 13 6.398 14.245 4.676 98 H ARG 14 HN ARG 14 6.115 10.232 4.393 99 HA ARG 14 HA ARG 14 3.636 9.812 2.890 100 1HB ARG 14 HB2 ARG 14 3.578 7.572 3.802 101 2HB ARG 14 HB1 ARG 14 5.144 7.875 3.068 102 1HG ARG 14 HG2 ARG 14 6.169 8.135 5.219 103 2HG ARG 14 HG1 ARG 14 4.598 8.051 6.023 104 1HD ARG 14 HD2 ARG 14 4.314 5.757 5.165 105 2HD ARG 14 HD1 ARG 14 5.917 5.847 4.438 106 HE ARG 14 HE ARG 14 6.793 6.090 6.740 107 1HH1 ARG 14 HH11 ARG 14 3.606 4.693 6.265 108 2HH1 ARG 14 HH12 ARG 14 3.644 3.769 7.736 109 1HH2 ARG 14 HH21 ARG 14 6.869 4.822 8.651 110 2HH2 ARG 14 HH22 ARG 14 5.494 3.858 9.097 111 H ASN 15 HN ASN 15 1.676 9.589 3.868 112 HA ASN 15 HA ASN 15 1.373 10.947 6.426 113 1HB ASN 15 HB2 ASN 15 -0.752 9.771 4.610 114 2HB ASN 15 HB1 ASN 15 -1.014 10.890 5.944 115 1HD2 ASN 15 HD21 ASN 15 -1.624 11.054 3.059 116 2HD2 ASN 15 HD22 ASN 15 -0.902 12.528 2.520 117 H GLY 16 HN GLY 16 1.882 7.890 5.292 118 1HA GLY 16 HA2 GLY 16 2.120 6.186 7.125 119 2HA GLY 16 HA1 GLY 16 0.453 6.595 7.521 120 H ASP 17 HN ASP 17 -0.959 6.606 5.446 121 HA ASP 17 HA ASP 17 -0.748 3.974 4.245 122 1HB ASP 17 HB2 ASP 17 -2.999 4.670 3.229 123 2HB ASP 17 HB1 ASP 17 -2.937 4.469 4.976 124 H THR 18 HN THR 18 -0.916 7.348 3.173 125 HA THR 18 HA THR 18 -0.063 6.485 0.498 126 HB THR 18 HB THR 18 -0.771 8.990 0.021 127 HG1 THR 18 HG1 THR 18 -2.434 8.320 2.254 128 1HG2 THR 18 HG21 THR 18 -3.064 8.213 -0.470 129 2HG2 THR 18 HG22 THR 18 -2.754 6.753 0.470 130 3HG2 THR 18 HG23 THR 18 -1.841 7.063 -1.006 131 H ALA 19 HN ALA 19 1.517 7.819 -0.619 132 HA ALA 19 HA ALA 19 3.381 9.153 1.237 133 1HB ALA 19 HB1 ALA 19 4.211 6.933 0.593 134 2HB ALA 19 HB2 ALA 19 5.243 8.222 -0.024 135 3HB ALA 19 HB3 ALA 19 4.117 7.400 -1.105 136 H HIS 20 HN HIS 20 4.168 11.098 0.614 137 HA HIS 20 HA HIS 20 3.332 12.070 -2.042 138 1HB HIS 20 HB2 HIS 20 2.263 13.207 -0.111 139 2HB HIS 20 HB1 HIS 20 3.855 13.663 0.481 140 HD1 HIS 20 HD1 HIS 20 1.319 14.486 -2.130 141 HD2 HIS 20 HD2 HIS 20 5.067 15.817 -0.884 142 HE1 HIS 20 HE1 HIS 20 1.694 16.673 -3.311 143 HE2 HIS 20 HE2 HIS 20 3.899 17.521 -2.454 144 H CYS 21 HN CYS 21 4.935 12.424 -3.444 145 HA CYS 21 HA CYS 21 7.639 12.883 -2.440 146 1HB CYS 21 HB2 CYS 21 7.354 11.333 -4.339 147 2HB CYS 21 HB1 CYS 21 6.637 12.631 -5.287 148 H GLU 22 HN GLU 22 8.245 14.890 -1.990 149 HA GLU 22 HA GLU 22 6.626 17.120 -2.720 150 1HB GLU 22 HB2 GLU 22 8.115 18.454 -1.439 151 2HB GLU 22 HB1 GLU 22 7.961 16.923 -0.596 152 1HG GLU 22 HG2 GLU 22 10.285 17.869 -2.252 153 2HG GLU 22 HG1 GLU 22 10.232 17.644 -0.507 154 H THR 23 HN THR 23 9.541 15.695 -3.997 155 HA THR 23 HA THR 23 9.798 17.837 -5.960 156 HB THR 23 HB THR 23 11.771 16.354 -6.738 157 HG1 THR 23 HG1 THR 23 11.458 15.329 -4.080 158 1HG2 THR 23 HG21 THR 23 11.814 17.677 -4.023 159 2HG2 THR 23 HG22 THR 23 12.054 18.480 -5.575 160 3HG2 THR 23 HG23 THR 23 13.232 17.298 -5.001 161 H CYS 24 HN CYS 24 7.523 16.956 -6.472 162 HA CYS 24 HA CYS 24 7.487 15.788 -9.010 163 1HB CYS 24 HB2 CYS 24 7.051 13.897 -6.736 164 2HB CYS 24 HB1 CYS 24 6.019 13.742 -8.150 165 H ALA 25 HN ALA 25 5.850 16.500 -6.001 166 HA ALA 25 HA ALA 25 3.775 17.259 -5.464 167 1HB ALA 25 HB1 ALA 25 3.531 17.911 -8.404 168 2HB ALA 25 HB2 ALA 25 4.178 18.984 -7.161 169 3HB ALA 25 HB3 ALA 25 2.481 18.505 -7.116 170 H LYS 26 HN LYS 26 4.389 14.545 -6.416 171 HA LYS 26 HA LYS 26 1.767 13.663 -7.406 172 1HB LYS 26 HB2 LYS 26 3.697 13.165 -8.878 173 2HB LYS 26 HB1 LYS 26 4.455 12.275 -7.570 174 1HG LYS 26 HG2 LYS 26 2.591 10.675 -7.601 175 2HG LYS 26 HG1 LYS 26 1.884 11.552 -8.960 176 1HD LYS 26 HD2 LYS 26 3.886 11.106 -10.290 177 2HD LYS 26 HD1 LYS 26 4.604 10.243 -8.930 178 1HE LYS 26 HE2 LYS 26 3.717 8.627 -10.453 179 2HE LYS 26 HE1 LYS 26 2.694 8.650 -9.019 180 1HZ LYS 26 HZ1 LYS 26 1.394 8.569 -11.059 181 2HZ LYS 26 HZ2 LYS 26 2.098 10.018 -11.588 182 3HZ LYS 26 HZ3 LYS 26 1.103 10.010 -10.216 183 H ASP 27 HN ASP 27 0.537 12.561 -6.044 184 HA ASP 27 HA ASP 27 1.734 11.473 -3.597 185 1HB ASP 27 HB2 ASP 27 -1.113 12.121 -4.363 186 2HB ASP 27 HB1 ASP 27 -0.726 11.160 -2.940 187 H PHE 28 HN PHE 28 1.906 9.367 -3.257 188 HA PHE 28 HA PHE 28 1.004 7.571 -5.388 189 1HB PHE 28 HB2 PHE 28 3.022 7.159 -3.167 190 2HB PHE 28 HB1 PHE 28 2.596 5.949 -4.369 191 HD1 PHE 28 HD1 PHE 28 3.255 6.244 -6.714 192 HD2 PHE 28 HD2 PHE 28 4.491 8.968 -3.686 193 HE1 PHE 28 HE1 PHE 28 5.009 7.105 -8.210 194 HE2 PHE 28 HE2 PHE 28 6.244 9.837 -5.177 195 HZ PHE 28 HZ PHE 28 6.507 8.901 -7.442 196 H SER 29 HN SER 29 -0.586 6.202 -5.079 197 HA SER 29 HA SER 29 -1.692 5.890 -2.385 198 1HB SER 29 HB2 SER 29 -3.159 6.658 -4.288 199 2HB SER 29 HB1 SER 29 -2.915 5.082 -5.038 200 HG SER 29 HG SER 29 -4.483 5.806 -2.873 201 H LEU 30 HN LEU 30 -1.033 4.158 -1.307 202 HA LEU 30 HA LEU 30 -0.075 1.836 -2.820 203 1HB LEU 30 HB2 LEU 30 0.412 2.580 0.068 204 2HB LEU 30 HB1 LEU 30 1.089 1.189 -0.753 205 HG LEU 30 HG LEU 30 2.106 3.000 -2.361 206 1HD1 LEU 30 HD11 LEU 30 0.925 4.901 -1.396 207 2HD1 LEU 30 HD12 LEU 30 2.673 5.074 -1.221 208 3HD1 LEU 30 HD13 LEU 30 1.691 4.591 0.163 209 1HD2 LEU 30 HD21 LEU 30 4.098 3.092 -0.946 210 2HD2 LEU 30 HD22 LEU 30 3.401 1.471 -0.991 211 3HD2 LEU 30 HD23 LEU 30 3.150 2.500 0.419 212 H GLN 31 HN GLN 31 -0.485 -0.311 -1.808 213 HA GLN 31 HA GLN 31 -3.158 -0.369 -0.572 214 1HB GLN 31 HB2 GLN 31 -1.782 -2.554 -2.150 215 2HB GLN 31 HB1 GLN 31 -3.404 -2.629 -1.481 216 1HG GLN 31 HG2 GLN 31 -3.990 -0.682 -2.947 217 2HG GLN 31 HG1 GLN 31 -2.419 -0.891 -3.718 218 1HE2 GLN 31 HE21 GLN 31 -5.606 -2.179 -3.301 219 2HE2 GLN 31 HE22 GLN 31 -5.509 -3.365 -4.559 220 H ALA 32 HN ALA 32 -3.470 -1.550 1.266 221 HA ALA 32 HA ALA 32 -1.113 -2.217 2.787 222 1HB ALA 32 HB1 ALA 32 -4.052 -2.375 3.484 223 2HB ALA 32 HB2 ALA 32 -2.932 -1.086 3.925 224 3HB ALA 32 HB3 ALA 32 -2.735 -2.700 4.609 225 H LEU 33 HN LEU 33 -0.192 -4.035 1.913 226 HA LEU 33 HA LEU 33 -1.894 -6.383 1.517 227 1HB LEU 33 HB2 LEU 33 -0.070 -5.478 -0.131 228 2HB LEU 33 HB1 LEU 33 1.045 -6.302 0.942 229 HG LEU 33 HG LEU 33 -0.202 -8.421 0.540 230 1HD1 LEU 33 HD11 LEU 33 -2.356 -7.462 -0.071 231 2HD1 LEU 33 HD12 LEU 33 -1.755 -8.512 -1.354 232 3HD1 LEU 33 HD13 LEU 33 -1.646 -6.759 -1.525 233 1HD2 LEU 33 HD21 LEU 33 0.667 -8.779 -1.716 234 2HD2 LEU 33 HD22 LEU 33 1.823 -7.897 -0.718 235 3HD2 LEU 33 HD23 LEU 33 0.860 -7.038 -1.921 236 H CYS 34 HN CYS 34 -1.208 -8.454 2.416 237 HA CYS 34 HA CYS 34 0.032 -8.098 5.038 238 1HB CYS 34 HB2 CYS 34 -0.900 -10.480 5.388 239 2HB CYS 34 HB1 CYS 34 -2.036 -9.138 5.339 240 HA PRO 35 HA PRO 35 3.688 -9.521 2.971 241 1HB PRO 35 HB2 PRO 35 5.313 -9.444 5.169 242 2HB PRO 35 HB1 PRO 35 4.862 -8.023 4.219 243 1HG PRO 35 HG2 PRO 35 3.712 -9.024 6.797 244 2HG PRO 35 HG1 PRO 35 4.098 -7.362 6.310 245 1HD PRO 35 HD2 PRO 35 1.581 -8.315 6.263 246 2HD PRO 35 HD1 PRO 35 2.166 -7.147 5.060 247 H ASP 36 HN ASP 36 2.610 -11.026 5.992 248 HA ASP 36 HA ASP 36 4.324 -13.286 5.758 249 1HB ASP 36 HB2 ASP 36 3.443 -12.653 7.926 250 2HB ASP 36 HB1 ASP 36 1.792 -12.887 7.358 251 H CYS 37 HN CYS 37 0.857 -12.847 5.156 252 HA CYS 37 HA CYS 37 0.927 -15.228 3.419 253 1HB CYS 37 HB2 CYS 37 -1.499 -15.450 3.901 254 2HB CYS 37 HB1 CYS 37 -0.521 -15.560 5.363 255 H ARG 38 HN ARG 38 1.558 -13.997 1.582 256 HA ARG 38 HA ARG 38 0.257 -11.496 1.007 257 1HB ARG 38 HB2 ARG 38 2.227 -13.037 -0.687 258 2HB ARG 38 HB1 ARG 38 1.758 -11.354 -0.903 259 1HG ARG 38 HG2 ARG 38 2.699 -10.852 1.325 260 2HG ARG 38 HG1 ARG 38 3.254 -12.522 1.430 261 1HD ARG 38 HD2 ARG 38 4.490 -12.091 -0.745 262 2HD ARG 38 HD1 ARG 38 4.141 -10.381 -0.483 263 HE ARG 38 HE ARG 38 5.526 -11.936 1.587 264 1HH1 ARG 38 HH11 ARG 38 5.466 -9.239 -0.656 265 2HH1 ARG 38 HH12 ARG 38 6.970 -8.576 -0.082 266 1HH2 ARG 38 HH21 ARG 38 7.501 -11.067 2.327 267 2HH2 ARG 38 HH22 ARG 38 8.130 -9.614 1.615 268 H GLN 39 HN GLN 39 -1.851 -12.021 0.682 269 HA GLN 39 HA GLN 39 -2.532 -12.587 -2.060 270 1HB GLN 39 HB2 GLN 39 -3.825 -14.186 0.185 271 2HB GLN 39 HB1 GLN 39 -4.302 -14.220 -1.504 272 1HG GLN 39 HG2 GLN 39 -2.193 -15.241 -2.109 273 2HG GLN 39 HG1 GLN 39 -1.643 -15.140 -0.438 274 1HE2 GLN 39 HE21 GLN 39 -4.897 -16.006 -1.448 275 2HE2 GLN 39 HE22 GLN 39 -4.821 -17.643 -0.895 276 HA PRO 40 HA PRO 40 -5.413 -9.279 -1.500 277 1HB PRO 40 HB2 PRO 40 -7.588 -11.255 -2.078 278 2HB PRO 40 HB1 PRO 40 -7.343 -9.630 -2.734 279 1HG PRO 40 HG2 PRO 40 -6.684 -11.766 -4.167 280 2HG PRO 40 HG1 PRO 40 -5.657 -10.321 -4.171 281 1HD PRO 40 HD2 PRO 40 -5.219 -12.952 -2.857 282 2HD PRO 40 HD1 PRO 40 -4.035 -11.798 -3.502 283 H LEU 41 HN LEU 41 -5.976 -8.452 0.386 284 HA LEU 41 HA LEU 41 -6.720 -10.152 2.590 285 1HB LEU 41 HB2 LEU 41 -6.434 -7.144 2.442 286 2HB LEU 41 HB1 LEU 41 -6.718 -8.054 3.911 287 HG LEU 41 HG LEU 41 -4.499 -9.260 3.345 288 1HD1 LEU 41 HD11 LEU 41 -4.231 -6.793 1.639 289 2HD1 LEU 41 HD12 LEU 41 -4.217 -8.469 1.087 290 3HD1 LEU 41 HD13 LEU 41 -2.907 -7.861 2.100 291 1HD2 LEU 41 HD21 LEU 41 -4.506 -6.363 4.187 292 2HD2 LEU 41 HD22 LEU 41 -3.204 -7.517 4.475 293 3HD2 LEU 41 HD23 LEU 41 -4.777 -7.754 5.237 294 H GLN 42 HN GLN 42 -8.490 -8.924 4.079 295 HA GLN 42 HA GLN 42 -10.929 -9.100 2.502 296 1HB GLN 42 HB2 GLN 42 -10.790 -10.445 4.524 297 2HB GLN 42 HB1 GLN 42 -10.425 -9.020 5.483 298 1HG GLN 42 HG2 GLN 42 -12.649 -8.145 5.065 299 2HG GLN 42 HG1 GLN 42 -13.015 -9.538 4.042 300 1HE2 GLN 42 HE21 GLN 42 -14.740 -10.140 5.386 301 2HE2 GLN 42 HE22 GLN 42 -14.481 -10.857 6.941 302 H VAL 43 HN VAL 43 -12.110 -7.363 1.973 303 HA VAL 43 HA VAL 43 -11.014 -4.767 2.565 304 HB VAL 43 HB VAL 43 -13.479 -5.453 0.954 305 1HG1 VAL 43 HG11 VAL 43 -13.159 -3.223 -0.035 306 2HG1 VAL 43 HG12 VAL 43 -11.826 -2.930 1.082 307 3HG1 VAL 43 HG13 VAL 43 -13.465 -3.140 1.700 308 1HG2 VAL 43 HG21 VAL 43 -12.029 -5.171 -1.014 309 2HG2 VAL 43 HG22 VAL 43 -11.508 -6.513 0.005 310 3HG2 VAL 43 HG23 VAL 43 -10.637 -4.981 0.053 311 H LEU 44 HN LEU 44 -11.397 -4.075 4.559 312 HA LEU 44 HA LEU 44 -14.083 -4.293 5.684 313 1HB LEU 44 HB2 LEU 44 -11.532 -3.219 6.903 314 2HB LEU 44 HB1 LEU 44 -13.051 -3.453 7.746 315 HG LEU 44 HG LEU 44 -11.314 -5.632 6.578 316 1HD1 LEU 44 HD11 LEU 44 -10.971 -6.278 8.905 317 2HD1 LEU 44 HD12 LEU 44 -11.931 -4.895 9.438 318 3HD1 LEU 44 HD13 LEU 44 -10.397 -4.639 8.604 319 1HD2 LEU 44 HD21 LEU 44 -13.896 -5.840 8.128 320 2HD2 LEU 44 HD22 LEU 44 -12.878 -7.187 7.617 321 3HD2 LEU 44 HD23 LEU 44 -13.690 -6.186 6.413 322 H LYS 45 HN LYS 45 -15.338 -2.824 4.703 323 HA LYS 45 HA LYS 45 -14.329 -0.216 4.009 324 1HB LYS 45 HB2 LYS 45 -16.659 0.123 3.114 325 2HB LYS 45 HB1 LYS 45 -15.765 -1.208 2.397 326 1HG LYS 45 HG2 LYS 45 -16.993 -2.808 3.703 327 2HG LYS 45 HG1 LYS 45 -17.803 -1.518 4.590 328 1HD LYS 45 HD2 LYS 45 -19.232 -2.497 2.839 329 2HD LYS 45 HD1 LYS 45 -18.917 -0.781 2.573 330 1HE LYS 45 HE2 LYS 45 -17.226 -1.326 0.920 331 2HE LYS 45 HE1 LYS 45 -17.454 -3.048 1.227 332 1HZ LYS 45 HZ1 LYS 45 -18.629 -2.234 -0.770 333 2HZ LYS 45 HZ2 LYS 45 -19.581 -1.237 0.220 334 3HZ LYS 45 HZ3 LYS 45 -19.669 -2.922 0.380 335 H ALA 46 HN ALA 46 -14.551 1.588 5.096 336 HA ALA 46 HA ALA 46 -16.673 1.789 7.135 337 1HB ALA 46 HB1 ALA 46 -14.448 1.789 8.172 338 2HB ALA 46 HB2 ALA 46 -15.231 3.359 8.348 339 3HB ALA 46 HB3 ALA 46 -13.964 3.136 7.141 340 H CYS 47 HN CYS 47 -16.646 4.519 7.522 341 HA CYS 47 HA CYS 47 -17.833 5.431 5.072 342 1HB CYS 47 HB2 CYS 47 -18.633 6.040 7.396 343 2HB CYS 47 HB1 CYS 47 -17.232 7.100 7.516 344 HG CYS 47 HG CYS 47 -19.564 7.411 5.037 345 H GLY 48 HN GLY 48 -16.150 5.408 3.578 346 1HA GLY 48 HA2 GLY 48 -14.866 6.955 2.283 347 2HA GLY 48 HA1 GLY 48 -14.367 7.737 3.777 348 H ALA 49 HN ALA 49 -13.645 5.420 5.210 349 HA ALA 49 HA ALA 49 -11.061 4.936 3.978 350 1HB ALA 49 HB1 ALA 49 -10.421 4.004 6.133 351 2HB ALA 49 HB2 ALA 49 -12.088 4.125 6.697 352 3HB ALA 49 HB3 ALA 49 -11.170 5.587 6.339 353 H VAL 50 HN VAL 50 -10.474 3.100 3.019 354 HA VAL 50 HA VAL 50 -12.120 0.709 3.475 355 HB VAL 50 HB VAL 50 -11.282 -0.069 1.204 356 1HG1 VAL 50 HG11 VAL 50 -13.570 0.665 1.556 357 2HG1 VAL 50 HG12 VAL 50 -12.989 1.202 -0.021 358 3HG1 VAL 50 HG13 VAL 50 -13.087 2.344 1.321 359 1HG2 VAL 50 HG21 VAL 50 -10.649 1.699 -0.391 360 2HG2 VAL 50 HG22 VAL 50 -9.459 1.501 0.894 361 3HG2 VAL 50 HG23 VAL 50 -10.587 2.856 0.939 362 H ASP 51 HN ASP 51 -11.069 -0.569 4.829 363 HA ASP 51 HA ASP 51 -8.151 -0.516 4.873 364 1HB ASP 51 HB2 ASP 51 -10.213 -1.626 6.775 365 2HB ASP 51 HB1 ASP 51 -8.493 -1.953 6.953 366 H TYR 52 HN TYR 52 -6.932 -2.095 4.080 367 HA TYR 52 HA TYR 52 -8.152 -4.614 3.274 368 1HB TYR 52 HB2 TYR 52 -5.298 -3.628 3.033 369 2HB TYR 52 HB1 TYR 52 -5.877 -5.172 2.428 370 HD1 TYR 52 HD2 TYR 52 -7.656 -5.153 0.613 371 HD2 TYR 52 HD1 TYR 52 -5.445 -1.693 1.727 372 HE1 TYR 52 HE2 TYR 52 -8.210 -4.113 -1.546 373 HE2 TYR 52 HE1 TYR 52 -5.989 -0.646 -0.427 374 HH TYR 52 HH TYR 52 -8.369 -1.826 -2.506 375 H PHE 53 HN PHE 53 -8.520 -5.941 4.944 376 HA PHE 53 HA PHE 53 -6.318 -6.583 6.753 377 1HB PHE 53 HB2 PHE 53 -7.688 -4.600 7.638 378 2HB PHE 53 HB1 PHE 53 -9.002 -5.750 7.855 379 HD1 PHE 53 HD2 PHE 53 -5.654 -4.760 8.956 380 HD2 PHE 53 HD1 PHE 53 -8.974 -7.331 9.648 381 HE1 PHE 53 HE2 PHE 53 -4.745 -5.335 11.167 382 HE2 PHE 53 HE1 PHE 53 -8.072 -7.909 11.862 383 HZ PHE 53 HZ PHE 53 -5.954 -6.910 12.624 384 H CYS 54 HN CYS 54 -6.249 -8.725 6.405 385 HA CYS 54 HA CYS 54 -8.641 -10.183 5.783 386 1HB CYS 54 HB2 CYS 54 -6.917 -12.154 5.855 387 2HB CYS 54 HB1 CYS 54 -6.897 -11.007 4.525 388 H GLN 55 HN GLN 55 -9.956 -10.233 7.512 389 HA GLN 55 HA GLN 55 -8.895 -11.112 10.086 390 1HB GLN 55 HB2 GLN 55 -10.291 -9.145 10.153 391 2HB GLN 55 HB1 GLN 55 -11.572 -9.967 9.277 392 1HG GLN 55 HG2 GLN 55 -12.122 -9.784 11.619 393 2HG GLN 55 HG1 GLN 55 -11.905 -11.471 11.163 394 1HE2 GLN 55 HE21 GLN 55 -9.269 -9.232 11.689 395 2HE2 GLN 55 HE22 GLN 55 -8.670 -9.984 13.125 396 H ASN 56 HN ASN 56 -11.705 -11.893 8.010 397 HA ASN 56 HA ASN 56 -12.142 -14.375 9.416 398 1HB ASN 56 HB2 ASN 56 -13.437 -13.264 6.918 399 2HB ASN 56 HB1 ASN 56 -13.949 -14.736 7.739 400 1HD2 ASN 56 HD21 ASN 56 -14.872 -14.573 9.824 401 2HD2 ASN 56 HD22 ASN 56 -15.573 -13.082 10.369 402 H GLY 57 HN GLY 57 -9.795 -13.607 7.440 403 1HA GLY 57 HA2 GLY 57 -9.294 -16.350 6.709 404 2HA GLY 57 HA1 GLY 57 -9.505 -15.266 5.333 405 H HIS 58 HN HIS 58 -7.079 -16.614 5.885 406 HA HIS 58 HA HIS 58 -4.835 -16.223 5.956 407 1HB HIS 58 HB2 HIS 58 -5.613 -13.303 6.092 408 2HB HIS 58 HB1 HIS 58 -3.967 -13.890 5.927 409 HD2 HIS 58 HD2 HIS 58 -7.008 -15.099 3.720 410 HE1 HIS 58 HE1 HIS 58 -4.167 -13.154 1.249 411 HE2 HIS 58 HE2 HIS 58 -6.374 -14.361 1.322 412 H GLY 59 HN GLY 59 -5.873 -13.481 7.940 413 1HA GLY 59 HA2 GLY 59 -5.856 -14.180 10.470 414 2HA GLY 59 HA1 GLY 59 -4.154 -14.442 10.099 415 H LEU 60 HN LEU 60 -5.932 -12.364 11.638 416 HA LEU 60 HA LEU 60 -5.703 -9.860 10.493 417 1HB LEU 60 HB2 LEU 60 -6.023 -8.926 12.645 418 2HB LEU 60 HB1 LEU 60 -6.924 -10.427 12.610 419 HG LEU 60 HG LEU 60 -4.199 -10.167 13.889 420 1HD1 LEU 60 HD11 LEU 60 -5.387 -10.053 16.024 421 2HD1 LEU 60 HD12 LEU 60 -6.924 -9.972 15.163 422 3HD1 LEU 60 HD13 LEU 60 -5.751 -8.664 15.001 423 1HD2 LEU 60 HD21 LEU 60 -4.861 -12.444 13.278 424 2HD2 LEU 60 HD22 LEU 60 -6.367 -12.247 14.173 425 3HD2 LEU 60 HD23 LEU 60 -4.824 -12.229 15.028 426 H ILE 61 HN ILE 61 -4.129 -8.482 10.101 427 HA ILE 61 HA ILE 61 -1.410 -9.199 10.931 428 HB ILE 61 HB ILE 61 -2.271 -7.232 8.800 429 1HG1 ILE 61 HG12 ILE 61 -2.978 -9.508 8.214 430 2HG1 ILE 61 HG11 ILE 61 -1.677 -8.959 7.166 431 1HG2 ILE 61 HG21 ILE 61 -0.052 -6.789 9.688 432 2HG2 ILE 61 HG22 ILE 61 0.050 -7.395 8.035 433 3HG2 ILE 61 HG23 ILE 61 0.417 -8.463 9.390 434 1HD1 ILE 61 HD11 ILE 61 -1.372 -10.816 9.514 435 2HD1 ILE 61 HD12 ILE 61 -0.082 -10.290 8.431 436 3HD1 ILE 61 HD13 ILE 61 -1.403 -11.287 7.815 437 H SER 62 HN SER 62 -0.319 -7.940 12.322 438 HA SER 62 HA SER 62 -1.461 -5.881 13.785 439 1HB SER 62 HB2 SER 62 1.496 -6.151 13.230 440 2HB SER 62 HB1 SER 62 0.719 -5.523 14.685 441 HG SER 62 HG SER 62 0.167 -7.549 15.291 442 H LYS 63 HN LYS 63 -1.535 -3.658 13.541 443 HA LYS 63 HA LYS 63 -1.578 -2.871 10.786 444 1HB LYS 63 HB2 LYS 63 -2.302 -1.391 13.310 445 2HB LYS 63 HB1 LYS 63 -2.486 -0.712 11.697 446 1HG LYS 63 HG2 LYS 63 -3.952 -2.650 11.134 447 2HG LYS 63 HG1 LYS 63 -3.878 -3.129 12.830 448 1HD LYS 63 HD2 LYS 63 -4.885 -1.016 13.493 449 2HD LYS 63 HD1 LYS 63 -4.889 -0.469 11.815 450 1HE LYS 63 HE2 LYS 63 -6.367 -2.373 11.248 451 2HE LYS 63 HE1 LYS 63 -6.431 -2.793 12.959 452 1HZ LYS 63 HZ1 LYS 63 -7.330 -0.196 11.814 453 2HZ LYS 63 HZ2 LYS 63 -7.485 -0.694 13.431 454 3HZ LYS 63 HZ3 LYS 63 -8.357 -1.485 12.212 455 H LYS 64 HN LYS 64 0.996 -3.028 12.698 456 HA LYS 64 HA LYS 64 2.201 -0.575 11.664 457 1HB LYS 64 HB2 LYS 64 3.041 -2.560 13.741 458 2HB LYS 64 HB1 LYS 64 4.251 -1.548 12.960 459 1HG LYS 64 HG2 LYS 64 2.926 0.444 13.641 460 2HG LYS 64 HG1 LYS 64 1.876 -0.635 14.562 461 1HD LYS 64 HD2 LYS 64 3.589 -1.211 16.053 462 2HD LYS 64 HD1 LYS 64 4.849 -0.608 14.973 463 1HE LYS 64 HE2 LYS 64 2.783 1.099 16.358 464 2HE LYS 64 HE1 LYS 64 4.448 0.882 16.898 465 1HZ LYS 64 HZ1 LYS 64 3.656 2.015 14.264 466 2HZ LYS 64 HZ2 LYS 64 5.235 1.878 14.870 467 3HZ LYS 64 HZ3 LYS 64 4.131 2.929 15.614 468 H ARG 65 HN ARG 65 2.957 -4.069 11.763 469 HA ARG 65 HA ARG 65 4.727 -3.730 9.499 470 1HB ARG 65 HB2 ARG 65 5.362 -5.256 11.317 471 2HB ARG 65 HB1 ARG 65 3.949 -6.247 10.978 472 1HG ARG 65 HG2 ARG 65 4.823 -7.041 8.980 473 2HG ARG 65 HG1 ARG 65 5.977 -5.713 8.846 474 1HD ARG 65 HD2 ARG 65 6.086 -7.814 11.001 475 2HD ARG 65 HD1 ARG 65 6.963 -7.935 9.475 476 HE ARG 65 HE ARG 65 7.516 -5.451 10.725 477 1HH1 ARG 65 HH11 ARG 65 8.187 -8.873 11.070 478 2HH1 ARG 65 HH12 ARG 65 9.761 -8.626 11.755 479 1HH2 ARG 65 HH21 ARG 65 9.597 -5.126 11.650 480 2HH2 ARG 65 HH22 ARG 65 10.561 -6.509 12.084 481 H VAL 66 HN VAL 66 2.764 -2.878 8.359 482 HA VAL 66 HA VAL 66 1.369 -5.049 6.935 483 HB VAL 66 HB VAL 66 0.783 -2.077 6.878 484 1HG1 VAL 66 HG11 VAL 66 0.064 -3.256 4.867 485 2HG1 VAL 66 HG12 VAL 66 -1.323 -2.744 5.827 486 3HG1 VAL 66 HG13 VAL 66 -0.805 -4.429 5.857 487 1HG2 VAL 66 HG21 VAL 66 -0.621 -4.271 8.397 488 2HG2 VAL 66 HG22 VAL 66 -1.162 -2.597 8.275 489 3HG2 VAL 66 HG23 VAL 66 0.351 -2.977 9.100 490 H ASN 67 HN ASN 67 1.635 -5.243 4.714 491 HA ASN 67 HA ASN 67 4.067 -4.048 3.685 492 1HB ASN 67 HB2 ASN 67 3.586 -6.461 3.340 493 2HB ASN 67 HB1 ASN 67 2.181 -6.026 2.377 494 1HD2 ASN 67 HD21 ASN 67 5.315 -4.406 2.322 495 2HD2 ASN 67 HD22 ASN 67 5.705 -4.839 0.691 496 H PHE 68 HN PHE 68 3.213 -1.867 3.673 497 HA PHE 68 HA PHE 68 1.164 -1.129 1.825 498 1HB PHE 68 HB2 PHE 68 3.364 0.515 3.102 499 2HB PHE 68 HB1 PHE 68 2.067 1.187 2.121 500 HD1 PHE 68 HD1 PHE 68 -0.298 0.992 2.927 501 HD2 PHE 68 HD2 PHE 68 3.046 0.030 5.382 502 HE1 PHE 68 HE1 PHE 68 -1.712 1.193 4.931 503 HE2 PHE 68 HE2 PHE 68 1.633 0.228 7.386 504 HZ PHE 68 HZ PHE 68 -0.748 0.812 7.164 505 H VAL 69 HN VAL 69 1.449 -1.669 -0.245 506 HA VAL 69 HA VAL 69 4.085 -1.101 -1.435 507 HB VAL 69 HB VAL 69 3.846 -3.503 -1.077 508 1HG1 VAL 69 HG11 VAL 69 1.449 -3.724 -1.093 509 2HG1 VAL 69 HG12 VAL 69 2.146 -4.789 -2.315 510 3HG1 VAL 69 HG13 VAL 69 1.385 -3.272 -2.797 511 1HG2 VAL 69 HG21 VAL 69 3.638 -2.756 -3.992 512 2HG2 VAL 69 HG22 VAL 69 4.281 -4.272 -3.360 513 3HG2 VAL 69 HG23 VAL 69 5.110 -2.752 -3.020 514 H ILE 70 HN ILE 70 4.138 -0.173 -3.419 515 HA ILE 70 HA ILE 70 1.674 0.737 -4.630 516 HB ILE 70 HB ILE 70 4.466 0.961 -5.781 517 1HG1 ILE 70 HG12 ILE 70 3.026 2.966 -4.024 518 2HG1 ILE 70 HG11 ILE 70 4.353 1.940 -3.493 519 1HG2 ILE 70 HG21 ILE 70 3.525 2.868 -7.000 520 2HG2 ILE 70 HG22 ILE 70 1.952 2.564 -6.259 521 3HG2 ILE 70 HG23 ILE 70 2.656 1.375 -7.357 522 1HD1 ILE 70 HD11 ILE 70 5.836 3.021 -5.103 523 2HD1 ILE 70 HD12 ILE 70 5.121 4.190 -3.993 524 3HD1 ILE 70 HD13 ILE 70 4.506 4.046 -5.640 525 H SER 71 HN SER 71 0.687 -1.217 -5.149 526 HA SER 71 HA SER 71 1.976 -3.381 -6.396 527 1HB SER 71 HB2 SER 71 -0.979 -2.773 -6.482 528 2HB SER 71 HB1 SER 71 -0.201 -4.352 -6.583 529 HG SER 71 HG SER 71 -1.135 -3.498 -4.461 530 H ASP 72 HN ASP 72 2.801 -3.386 -8.388 531 HA ASP 72 HA ASP 72 1.632 -1.895 -10.548 532 1HB ASP 72 HB2 ASP 72 4.022 -2.305 -10.626 533 2HB ASP 72 HB1 ASP 72 3.771 -4.045 -10.538 534 H GLN 73 HN GLN 73 -0.491 -2.606 -10.523 535 HA GLN 73 HA GLN 73 -0.889 -5.312 -11.616 536 1HB GLN 73 HB2 GLN 73 -1.835 -4.943 -9.317 537 2HB GLN 73 HB1 GLN 73 -2.876 -3.702 -9.998 538 1HG GLN 73 HG2 GLN 73 -4.065 -5.801 -9.716 539 2HG GLN 73 HG1 GLN 73 -3.951 -5.352 -11.417 540 1HE2 GLN 73 HE21 GLN 73 -4.219 -7.418 -12.173 541 2HE2 GLN 73 HE22 GLN 73 -3.022 -8.652 -11.984 542 H LEU 74 HN LEU 74 -0.680 -2.233 -12.449 543 HA LEU 74 HA LEU 74 -2.976 -2.219 -14.271 544 1HB LEU 74 HB2 LEU 74 -1.064 0.002 -13.530 545 2HB LEU 74 HB1 LEU 74 -2.438 0.163 -14.607 546 HG LEU 74 HG LEU 74 -2.593 -0.501 -11.665 547 1HD1 LEU 74 HD11 LEU 74 -1.891 1.791 -12.037 548 2HD1 LEU 74 HD12 LEU 74 -3.553 1.741 -11.447 549 3HD1 LEU 74 HD13 LEU 74 -3.233 2.038 -13.154 550 1HD2 LEU 74 HD21 LEU 74 -4.764 0.028 -13.688 551 2HD2 LEU 74 HD22 LEU 74 -5.003 -0.165 -11.952 552 3HD2 LEU 74 HD23 LEU 74 -4.409 -1.517 -12.917 553 H GLU 75 HN GLU 75 -2.699 -2.071 -16.473 554 HA GLU 75 HA GLU 75 -0.352 -3.257 -17.530 555 1HB GLU 75 HB2 GLU 75 -2.587 -1.807 -18.971 556 2HB GLU 75 HB1 GLU 75 -1.352 -2.783 -19.749 557 1HG GLU 75 HG2 GLU 75 -3.216 -4.170 -19.650 558 2HG GLU 75 HG1 GLU 75 -2.206 -4.704 -18.309 559 H HIS 76 HN HIS 76 1.554 -2.239 -17.611 560 HA HIS 76 HA HIS 76 1.539 0.622 -18.290 561 1HB HIS 76 HB2 HIS 76 3.771 0.769 -17.295 562 2HB HIS 76 HB1 HIS 76 2.602 0.148 -16.143 563 HD1 HIS 76 HD1 HIS 76 3.356 -1.827 -14.847 564 HD2 HIS 76 HD2 HIS 76 5.401 -1.457 -18.463 565 HE1 HIS 76 HE1 HIS 76 5.131 -3.602 -14.816 566 HE2 HIS 76 HE2 HIS 76 6.338 -3.389 -17.013 567 H HIS 77 HN HIS 77 1.522 -1.990 -19.920 568 HA HIS 77 HA HIS 77 2.009 -2.467 -22.066 569 1HB HIS 77 HB2 HIS 77 3.342 0.236 -21.995 570 2HB HIS 77 HB1 HIS 77 3.332 -0.778 -23.434 571 HD1 HIS 77 HD1 HIS 77 1.838 0.687 -24.861 572 HD2 HIS 77 HD2 HIS 77 0.143 -0.292 -21.188 573 HE1 HIS 77 HE1 HIS 77 -0.562 1.437 -24.992 574 HE2 HIS 77 HE2 HIS 77 -1.590 0.746 -22.796 575 H HIS 78 HN HIS 78 3.224 -4.124 -22.436 576 HA HIS 78 HA HIS 78 5.807 -4.537 -21.353 577 1HB HIS 78 HB2 HIS 78 4.264 -6.367 -22.063 578 2HB HIS 78 HB1 HIS 78 4.529 -5.901 -23.738 579 HD1 HIS 78 HD1 HIS 78 5.911 -7.698 -24.732 580 HD2 HIS 78 HD2 HIS 78 7.226 -6.627 -20.932 581 HE1 HIS 78 HE1 HIS 78 8.017 -9.028 -24.338 582 HE2 HIS 78 HE2 HIS 78 8.892 -8.218 -22.110 583 H HIS 79 HN HIS 79 4.600 -3.417 -24.475 584 HA HIS 79 HA HIS 79 7.289 -2.904 -25.446 585 1HB HIS 79 HB2 HIS 79 4.551 -2.734 -26.591 586 2HB HIS 79 HB1 HIS 79 5.759 -1.636 -27.253 587 HD1 HIS 79 HD1 HIS 79 6.986 -2.555 -29.173 588 HD2 HIS 79 HD2 HIS 79 5.636 -5.558 -26.629 589 HE1 HIS 79 HE1 HIS 79 7.661 -4.721 -30.263 590 HE2 HIS 79 HE2 HIS 79 6.953 -6.520 -28.643 591 H HIS 80 HN HIS 80 8.181 -1.424 -24.102 592 HA HIS 80 HA HIS 80 7.252 1.308 -24.473 593 1HB HIS 80 HB2 HIS 80 7.401 1.890 -22.123 594 2HB HIS 80 HB1 HIS 80 6.280 0.547 -22.294 595 HD1 HIS 80 HD1 HIS 80 6.855 -1.632 -21.108 596 HD2 HIS 80 HD2 HIS 80 9.871 1.226 -20.857 597 HE1 HIS 80 HE1 HIS 80 8.509 -2.531 -19.435 598 HE2 HIS 80 HE2 HIS 80 10.337 -0.791 -19.303 599 H HIS 81 HN HIS 81 8.997 2.874 -23.704 600 HA HIS 81 HA HIS 81 11.600 1.661 -24.348 601 1HB HIS 81 HB2 HIS 81 10.744 3.450 -25.876 602 2HB HIS 81 HB1 HIS 81 10.809 4.577 -24.526 603 HD1 HIS 81 HD1 HIS 81 13.109 2.410 -26.616 604 HD2 HIS 81 HD2 HIS 81 13.238 5.778 -24.173 605 HE1 HIS 81 HE1 HIS 81 15.446 3.322 -26.831 606 HE2 HIS 81 HE2 HIS 81 15.475 5.411 -25.422 Start of MODEL 10 1 1H MET 1 HT1 MET 1 15.335 1.500 5.658 2 2H MET 1 HT2 MET 1 15.311 -0.194 5.708 3 3H MET 1 HT3 MET 1 13.948 0.688 6.202 4 HA MET 1 HA MET 1 15.061 0.567 3.458 5 1HB MET 1 HB2 MET 1 12.493 -0.541 4.613 6 2HB MET 1 HB1 MET 1 12.916 -0.547 2.908 7 1HG MET 1 HG2 MET 1 14.847 -1.972 3.408 8 2HG MET 1 HG1 MET 1 14.382 -1.986 5.107 9 1HE MET 1 HE1 MET 1 10.847 -3.762 4.854 10 2HE MET 1 HE2 MET 1 11.129 -2.034 4.654 11 3HE MET 1 HE3 MET 1 11.969 -2.924 5.923 12 H GLU 2 HN GLU 2 12.601 1.851 5.644 13 HA GLU 2 HA GLU 2 11.281 3.696 5.583 14 1HB GLU 2 HB2 GLU 2 13.056 4.688 3.343 15 2HB GLU 2 HB1 GLU 2 12.004 5.656 4.362 16 1HG GLU 2 HG2 GLU 2 13.412 5.062 6.303 17 2HG GLU 2 HG1 GLU 2 14.495 4.203 5.206 18 H ILE 3 HN ILE 3 10.062 5.181 3.851 19 HA ILE 3 HA ILE 3 9.239 3.505 1.581 20 HB ILE 3 HB ILE 3 7.355 5.228 1.366 21 1HG1 ILE 3 HG12 ILE 3 8.180 5.835 4.220 22 2HG1 ILE 3 HG11 ILE 3 8.355 6.933 2.855 23 1HG2 ILE 3 HG21 ILE 3 7.442 3.422 3.780 24 2HG2 ILE 3 HG22 ILE 3 6.974 2.966 2.141 25 3HG2 ILE 3 HG23 ILE 3 5.979 4.095 3.061 26 1HD1 ILE 3 HD11 ILE 3 5.941 7.020 2.597 27 2HD1 ILE 3 HD12 ILE 3 6.423 7.489 4.228 28 3HD1 ILE 3 HD13 ILE 3 5.748 5.886 3.935 29 H THR 4 HN THR 4 10.607 3.966 -0.069 30 HA THR 4 HA THR 4 11.549 6.753 -0.244 31 HB THR 4 HB THR 4 13.210 4.383 -1.061 32 HG1 THR 4 HG1 THR 4 12.401 4.601 1.320 33 1HG2 THR 4 HG21 THR 4 13.880 7.187 -0.171 34 2HG2 THR 4 HG22 THR 4 13.926 6.585 -1.829 35 3HG2 THR 4 HG23 THR 4 15.047 5.945 -0.624 36 H CYS 5 HN CYS 5 11.097 7.754 -2.072 37 HA CYS 5 HA CYS 5 10.252 6.484 -4.463 38 1HB CYS 5 HB2 CYS 5 9.680 8.824 -3.911 39 2HB CYS 5 HB1 CYS 5 11.376 9.269 -4.036 40 HA PRO 6 HA PRO 6 14.107 4.705 -5.614 41 1HB PRO 6 HB2 PRO 6 13.565 4.621 -8.355 42 2HB PRO 6 HB1 PRO 6 13.161 3.375 -7.173 43 1HG PRO 6 HG2 PRO 6 11.449 5.530 -8.319 44 2HG PRO 6 HG1 PRO 6 11.020 3.867 -7.875 45 1HD PRO 6 HD2 PRO 6 10.324 5.940 -6.336 46 2HD PRO 6 HD1 PRO 6 10.819 4.389 -5.623 47 H VAL 7 HN VAL 7 12.938 7.459 -7.536 48 HA VAL 7 HA VAL 7 15.568 7.950 -8.617 49 HB VAL 7 HB VAL 7 13.476 8.348 -9.918 50 1HG1 VAL 7 HG11 VAL 7 12.094 9.287 -8.159 51 2HG1 VAL 7 HG12 VAL 7 12.192 10.391 -9.529 52 3HG1 VAL 7 HG13 VAL 7 13.137 10.705 -8.074 53 1HG2 VAL 7 HG21 VAL 7 15.540 9.369 -10.648 54 2HG2 VAL 7 HG22 VAL 7 15.283 10.734 -9.561 55 3HG2 VAL 7 HG23 VAL 7 14.197 10.477 -10.927 56 H CYS 8 HN CYS 8 14.072 8.707 -5.706 57 HA CYS 8 HA CYS 8 15.462 11.284 -5.469 58 1HB CYS 8 HB2 CYS 8 13.261 10.108 -3.769 59 2HB CYS 8 HB1 CYS 8 14.020 11.673 -3.499 60 H HIS 9 HN HIS 9 14.931 8.258 -3.667 61 HA HIS 9 HA HIS 9 15.811 7.485 -1.719 62 1HB HIS 9 HB2 HIS 9 17.797 7.315 -3.321 63 2HB HIS 9 HB1 HIS 9 18.404 8.784 -2.559 64 HD1 HIS 9 HD1 HIS 9 17.521 5.201 -1.698 65 HD2 HIS 9 HD2 HIS 9 19.731 8.383 -0.182 66 HE1 HIS 9 HE1 HIS 9 18.769 4.281 0.280 67 HE2 HIS 9 HE2 HIS 9 19.945 6.266 1.287 68 H HIS 10 HN HIS 10 14.406 9.757 -1.443 69 HA HIS 10 HA HIS 10 15.816 11.212 0.685 70 1HB HIS 10 HB2 HIS 10 14.358 12.297 -1.688 71 2HB HIS 10 HB1 HIS 10 14.199 13.158 -0.163 72 HD1 HIS 10 HD1 HIS 10 16.965 11.981 -2.519 73 HD2 HIS 10 HD2 HIS 10 16.204 14.897 0.351 74 HE1 HIS 10 HE1 HIS 10 18.934 13.540 -2.598 75 HE2 HIS 10 HE2 HIS 10 18.381 15.371 -0.958 76 H ALA 11 HN ALA 11 13.920 8.953 0.616 77 HA ALA 11 HA ALA 11 12.115 8.147 1.702 78 1HB ALA 11 HB1 ALA 11 13.150 9.244 3.629 79 2HB ALA 11 HB2 ALA 11 11.391 9.251 3.738 80 3HB ALA 11 HB3 ALA 11 12.251 10.719 3.270 81 H LEU 12 HN LEU 12 9.808 9.035 2.624 82 HA LEU 12 HA LEU 12 8.571 10.860 0.719 83 1HB LEU 12 HB2 LEU 12 7.724 7.989 1.129 84 2HB LEU 12 HB1 LEU 12 6.674 9.203 0.431 85 HG LEU 12 HG LEU 12 9.321 8.357 -0.751 86 1HD1 LEU 12 HD11 LEU 12 6.505 7.602 -1.528 87 2HD1 LEU 12 HD12 LEU 12 7.715 6.529 -0.825 88 3HD1 LEU 12 HD13 LEU 12 7.965 7.205 -2.435 89 1HD2 LEU 12 HD21 LEU 12 8.523 9.576 -2.719 90 2HD2 LEU 12 HD22 LEU 12 8.679 10.635 -1.318 91 3HD2 LEU 12 HD23 LEU 12 7.087 10.074 -1.824 92 H GLU 13 HN GLU 13 6.339 11.413 1.409 93 HA GLU 13 HA GLU 13 5.961 11.017 4.303 94 1HB GLU 13 HB2 GLU 13 6.452 13.424 3.064 95 2HB GLU 13 HB1 GLU 13 4.695 13.392 3.124 96 1HG GLU 13 HG2 GLU 13 6.582 13.144 5.454 97 2HG GLU 13 HG1 GLU 13 5.565 14.527 5.058 98 H ARG 14 HN ARG 14 4.096 10.075 4.853 99 HA ARG 14 HA ARG 14 2.203 9.379 2.793 100 1HB ARG 14 HB2 ARG 14 2.753 7.736 4.507 101 2HB ARG 14 HB1 ARG 14 2.197 8.830 5.766 102 1HG ARG 14 HG2 ARG 14 -0.080 8.712 4.824 103 2HG ARG 14 HG1 ARG 14 0.502 7.548 3.633 104 1HD ARG 14 HD2 ARG 14 -0.587 6.439 5.521 105 2HD ARG 14 HD1 ARG 14 1.119 6.010 5.411 106 HE ARG 14 HE ARG 14 1.393 7.830 7.192 107 1HH1 ARG 14 HH11 ARG 14 -1.453 5.810 6.899 108 2HH1 ARG 14 HH12 ARG 14 -1.815 5.861 8.595 109 1HH2 ARG 14 HH21 ARG 14 0.913 7.890 9.426 110 2HH2 ARG 14 HH22 ARG 14 -0.490 7.038 10.020 111 H ASN 15 HN ASN 15 0.705 10.725 2.152 112 HA ASN 15 HA ASN 15 -0.031 13.032 3.721 113 1HB ASN 15 HB2 ASN 15 0.292 13.036 1.217 114 2HB ASN 15 HB1 ASN 15 -1.193 12.102 1.086 115 1HD2 ASN 15 HD21 ASN 15 -0.596 14.699 3.379 116 2HD2 ASN 15 HD22 ASN 15 -1.765 15.794 2.719 117 H GLY 16 HN GLY 16 -1.136 9.865 3.349 118 1HA GLY 16 HA2 GLY 16 -2.899 9.618 5.302 119 2HA GLY 16 HA1 GLY 16 -3.887 10.454 4.108 120 H ASP 17 HN ASP 17 -4.127 9.455 2.011 121 HA ASP 17 HA ASP 17 -4.078 6.520 2.176 122 1HB ASP 17 HB2 ASP 17 -5.706 6.570 0.321 123 2HB ASP 17 HB1 ASP 17 -6.277 7.492 1.707 124 H THR 18 HN THR 18 -2.522 9.164 0.780 125 HA THR 18 HA THR 18 -1.199 7.389 -1.158 126 HB THR 18 HB THR 18 -0.711 9.466 -2.498 127 HG1 THR 18 HG1 THR 18 -2.670 10.571 -0.733 128 1HG2 THR 18 HG21 THR 18 -2.463 7.922 -3.195 129 2HG2 THR 18 HG22 THR 18 -2.943 9.586 -3.528 130 3HG2 THR 18 HG23 THR 18 -3.622 8.734 -2.141 131 H ALA 19 HN ALA 19 1.029 8.103 -1.701 132 HA ALA 19 HA ALA 19 2.369 9.350 0.610 133 1HB ALA 19 HB1 ALA 19 4.405 8.203 -0.135 134 2HB ALA 19 HB2 ALA 19 3.514 7.493 -1.482 135 3HB ALA 19 HB3 ALA 19 3.104 7.054 0.176 136 H HIS 20 HN HIS 20 3.234 11.307 0.287 137 HA HIS 20 HA HIS 20 3.082 12.358 -2.442 138 1HB HIS 20 HB2 HIS 20 1.856 13.517 -0.578 139 2HB HIS 20 HB1 HIS 20 3.420 13.912 0.130 140 HD1 HIS 20 HD1 HIS 20 1.213 14.718 -2.796 141 HD2 HIS 20 HD2 HIS 20 4.774 16.022 -1.085 142 HE1 HIS 20 HE1 HIS 20 1.814 16.844 -4.004 143 HE2 HIS 20 HE2 HIS 20 3.884 17.698 -2.845 144 H CYS 21 HN CYS 21 4.849 12.598 -3.586 145 HA CYS 21 HA CYS 21 7.455 12.583 -2.280 146 1HB CYS 21 HB2 CYS 21 6.771 11.265 -4.435 147 2HB CYS 21 HB1 CYS 21 7.006 12.813 -5.246 148 H GLU 22 HN GLU 22 8.217 14.513 -1.618 149 HA GLU 22 HA GLU 22 7.284 16.971 -2.764 150 1HB GLU 22 HB2 GLU 22 7.914 16.692 -0.351 151 2HB GLU 22 HB1 GLU 22 9.593 16.566 -0.857 152 1HG GLU 22 HG2 GLU 22 8.885 18.817 -0.038 153 2HG GLU 22 HG1 GLU 22 9.623 18.796 -1.640 154 H THR 23 HN THR 23 10.542 15.524 -2.518 155 HA THR 23 HA THR 23 11.640 17.009 -4.659 156 HB THR 23 HB THR 23 13.302 15.020 -4.707 157 HG1 THR 23 HG1 THR 23 12.595 14.323 -2.158 158 1HG2 THR 23 HG21 THR 23 13.798 17.142 -3.612 159 2HG2 THR 23 HG22 THR 23 14.403 15.795 -2.649 160 3HG2 THR 23 HG23 THR 23 12.919 16.621 -2.174 161 H CYS 24 HN CYS 24 11.143 16.823 -6.766 162 HA CYS 24 HA CYS 24 9.871 16.302 -8.547 163 1HB CYS 24 HB2 CYS 24 10.149 14.231 -9.580 164 2HB CYS 24 HB1 CYS 24 11.590 14.363 -8.589 165 H ALA 25 HN ALA 25 7.911 16.978 -8.133 166 HA ALA 25 HA ALA 25 6.301 15.958 -6.032 167 1HB ALA 25 HB1 ALA 25 5.564 17.876 -8.235 168 2HB ALA 25 HB2 ALA 25 6.269 18.313 -6.678 169 3HB ALA 25 HB3 ALA 25 4.658 17.598 -6.748 170 H LYS 26 HN LYS 26 5.682 13.901 -6.309 171 HA LYS 26 HA LYS 26 3.420 13.561 -8.071 172 1HB LYS 26 HB2 LYS 26 4.187 11.339 -8.883 173 2HB LYS 26 HB1 LYS 26 5.149 12.671 -9.503 174 1HG LYS 26 HG2 LYS 26 6.952 12.155 -8.034 175 2HG LYS 26 HG1 LYS 26 5.970 10.984 -7.152 176 1HD LYS 26 HD2 LYS 26 7.487 9.844 -8.670 177 2HD LYS 26 HD1 LYS 26 5.815 9.603 -9.172 178 1HE LYS 26 HE2 LYS 26 6.143 11.505 -10.790 179 2HE LYS 26 HE1 LYS 26 7.860 11.452 -10.389 180 1HZ LYS 26 HZ1 LYS 26 6.241 9.290 -11.627 181 2HZ LYS 26 HZ2 LYS 26 7.833 9.081 -11.085 182 3HZ LYS 26 HZ3 LYS 26 7.506 10.162 -12.348 183 H ASP 27 HN ASP 27 1.991 11.934 -7.329 184 HA ASP 27 HA ASP 27 2.572 11.083 -4.576 185 1HB ASP 27 HB2 ASP 27 0.094 11.054 -4.249 186 2HB ASP 27 HB1 ASP 27 0.752 12.655 -4.567 187 H PHE 28 HN PHE 28 1.945 9.041 -3.912 188 HA PHE 28 HA PHE 28 1.393 7.140 -6.098 189 1HB PHE 28 HB2 PHE 28 3.019 6.647 -3.591 190 2HB PHE 28 HB1 PHE 28 2.728 5.489 -4.882 191 HD1 PHE 28 HD2 PHE 28 3.701 5.943 -7.157 192 HD2 PHE 28 HD1 PHE 28 4.785 8.177 -3.701 193 HE1 PHE 28 HE2 PHE 28 5.747 6.704 -8.294 194 HE2 PHE 28 HE1 PHE 28 6.831 8.944 -4.832 195 HZ PHE 28 HZ PHE 28 7.314 8.206 -7.132 196 H SER 29 HN SER 29 -0.420 5.958 -5.854 197 HA SER 29 HA SER 29 -2.005 6.153 -3.482 198 1HB SER 29 HB2 SER 29 -2.288 4.307 -5.868 199 2HB SER 29 HB1 SER 29 -3.513 4.576 -4.629 200 HG SER 29 HG SER 29 -2.771 6.950 -5.542 201 H LEU 30 HN LEU 30 -1.935 4.894 -1.714 202 HA LEU 30 HA LEU 30 -0.043 2.660 -1.766 203 1HB LEU 30 HB2 LEU 30 -1.175 4.221 0.555 204 2HB LEU 30 HB1 LEU 30 -0.055 2.880 0.704 205 HG LEU 30 HG LEU 30 0.513 5.539 -0.612 206 1HD1 LEU 30 HD11 LEU 30 1.583 4.293 1.913 207 2HD1 LEU 30 HD12 LEU 30 0.438 5.632 1.823 208 3HD1 LEU 30 HD13 LEU 30 2.084 5.837 1.224 209 1HD2 LEU 30 HD21 LEU 30 1.662 3.724 -1.772 210 2HD2 LEU 30 HD22 LEU 30 2.305 3.140 -0.237 211 3HD2 LEU 30 HD23 LEU 30 2.803 4.714 -0.860 212 H GLN 31 HN GLN 31 -0.605 0.643 -1.344 213 HA GLN 31 HA GLN 31 -3.415 0.112 -0.623 214 1HB GLN 31 HB2 GLN 31 -2.924 -0.533 -2.933 215 2HB GLN 31 HB1 GLN 31 -1.559 -1.497 -2.391 216 1HG GLN 31 HG2 GLN 31 -3.111 -2.948 -1.151 217 2HG GLN 31 HG1 GLN 31 -4.461 -2.005 -1.780 218 1HE2 GLN 31 HE21 GLN 31 -3.827 -4.830 -2.120 219 2HE2 GLN 31 HE22 GLN 31 -3.718 -5.092 -3.823 220 H ALA 32 HN ALA 32 -3.618 -0.780 1.329 221 HA ALA 32 HA ALA 32 -1.459 -1.835 2.825 222 1HB ALA 32 HB1 ALA 32 -3.297 -0.952 4.038 223 2HB ALA 32 HB2 ALA 32 -3.308 -2.693 4.337 224 3HB ALA 32 HB3 ALA 32 -4.444 -1.983 3.190 225 H LEU 33 HN LEU 33 -0.453 -3.692 2.447 226 HA LEU 33 HA LEU 33 -2.023 -5.957 1.417 227 1HB LEU 33 HB2 LEU 33 -0.504 -4.863 -0.271 228 2HB LEU 33 HB1 LEU 33 0.851 -5.350 0.729 229 HG LEU 33 HG LEU 33 0.244 -7.713 0.394 230 1HD1 LEU 33 HD11 LEU 33 -1.853 -6.616 -1.476 231 2HD1 LEU 33 HD12 LEU 33 -2.162 -7.405 0.071 232 3HD1 LEU 33 HD13 LEU 33 -1.442 -8.317 -1.257 233 1HD2 LEU 33 HD21 LEU 33 1.858 -6.655 -1.090 234 2HD2 LEU 33 HD22 LEU 33 0.553 -6.121 -2.150 235 3HD2 LEU 33 HD23 LEU 33 0.890 -7.843 -1.965 236 H CYS 34 HN CYS 34 -1.193 -8.063 2.000 237 HA CYS 34 HA CYS 34 0.075 -7.986 4.649 238 1HB CYS 34 HB2 CYS 34 -2.306 -8.934 4.215 239 2HB CYS 34 HB1 CYS 34 -1.466 -10.316 3.527 240 HA PRO 35 HA PRO 35 3.730 -9.615 2.806 241 1HB PRO 35 HB2 PRO 35 4.797 -10.793 5.056 242 2HB PRO 35 HB1 PRO 35 4.900 -9.071 4.677 243 1HG PRO 35 HG2 PRO 35 2.997 -10.504 6.487 244 2HG PRO 35 HG1 PRO 35 3.828 -8.956 6.733 245 1HD PRO 35 HD2 PRO 35 1.254 -9.056 6.001 246 2HD PRO 35 HD1 PRO 35 2.345 -7.803 5.371 247 H ASP 36 HN ASP 36 1.879 -11.802 4.898 248 HA ASP 36 HA ASP 36 3.099 -14.181 3.814 249 1HB ASP 36 HB2 ASP 36 1.487 -15.373 5.247 250 2HB ASP 36 HB1 ASP 36 2.326 -14.109 6.146 251 H CYS 37 HN CYS 37 0.604 -12.137 2.808 252 HA CYS 37 HA CYS 37 -0.274 -14.038 0.827 253 1HB CYS 37 HB2 CYS 37 -2.744 -13.453 1.470 254 2HB CYS 37 HB1 CYS 37 -1.896 -14.741 2.315 255 H ARG 38 HN ARG 38 0.544 -12.663 -0.684 256 HA ARG 38 HA ARG 38 -0.308 -9.891 -0.744 257 1HB ARG 38 HB2 ARG 38 1.430 -11.472 -2.648 258 2HB ARG 38 HB1 ARG 38 1.103 -9.749 -2.780 259 1HG ARG 38 HG2 ARG 38 2.133 -9.437 -0.548 260 2HG ARG 38 HG1 ARG 38 2.568 -11.147 -0.558 261 1HD ARG 38 HD2 ARG 38 3.907 -10.822 -2.554 262 2HD ARG 38 HD1 ARG 38 3.425 -9.127 -2.625 263 HE ARG 38 HE ARG 38 4.680 -9.827 -0.143 264 1HH1 ARG 38 HH11 ARG 38 5.314 -8.946 -3.477 265 2HH1 ARG 38 HH12 ARG 38 6.872 -8.259 -3.124 266 1HH2 ARG 38 HH21 ARG 38 6.728 -8.940 0.307 267 2HH2 ARG 38 HH22 ARG 38 7.674 -8.263 -0.987 268 H GLN 39 HN GLN 39 -2.538 -10.433 -0.896 269 HA GLN 39 HA GLN 39 -3.455 -10.563 -3.655 270 1HB GLN 39 HB2 GLN 39 -4.298 -12.495 -1.483 271 2HB GLN 39 HB1 GLN 39 -5.276 -12.195 -2.911 272 1HG GLN 39 HG2 GLN 39 -3.459 -12.984 -4.329 273 2HG GLN 39 HG1 GLN 39 -2.469 -13.275 -2.900 274 1HE2 GLN 39 HE21 GLN 39 -3.447 -15.099 -4.979 275 2HE2 GLN 39 HE22 GLN 39 -4.315 -16.344 -4.139 276 HA PRO 40 HA PRO 40 -6.681 -7.776 -2.148 277 1HB PRO 40 HB2 PRO 40 -9.029 -9.214 -2.579 278 2HB PRO 40 HB1 PRO 40 -8.245 -8.158 -3.758 279 1HG PRO 40 HG2 PRO 40 -8.116 -11.125 -3.487 280 2HG PRO 40 HG1 PRO 40 -8.162 -10.129 -4.954 281 1HD PRO 40 HD2 PRO 40 -5.882 -11.250 -4.097 282 2HD PRO 40 HD1 PRO 40 -5.896 -9.635 -4.839 283 H LEU 41 HN LEU 41 -6.487 -7.639 0.002 284 HA LEU 41 HA LEU 41 -6.865 -9.848 1.759 285 1HB LEU 41 HB2 LEU 41 -6.654 -6.906 2.399 286 2HB LEU 41 HB1 LEU 41 -6.497 -8.221 3.548 287 HG LEU 41 HG LEU 41 -4.611 -7.596 1.277 288 1HD1 LEU 41 HD11 LEU 41 -4.258 -7.451 4.267 289 2HD1 LEU 41 HD12 LEU 41 -4.451 -6.075 3.183 290 3HD1 LEU 41 HD13 LEU 41 -3.025 -7.102 3.054 291 1HD2 LEU 41 HD21 LEU 41 -4.515 -9.809 3.323 292 2HD2 LEU 41 HD22 LEU 41 -3.238 -9.414 2.172 293 3HD2 LEU 41 HD23 LEU 41 -4.797 -10.002 1.593 294 H GLN 42 HN GLN 42 -8.233 -8.921 3.915 295 HA GLN 42 HA GLN 42 -10.933 -9.188 2.952 296 1HB GLN 42 HB2 GLN 42 -10.038 -8.827 5.815 297 2HB GLN 42 HB1 GLN 42 -11.552 -9.516 5.242 298 1HG GLN 42 HG2 GLN 42 -8.803 -10.716 5.071 299 2HG GLN 42 HG1 GLN 42 -10.189 -11.310 5.980 300 1HE2 GLN 42 HE21 GLN 42 -8.521 -12.587 3.920 301 2HE2 GLN 42 HE22 GLN 42 -9.606 -13.102 2.680 302 H VAL 43 HN VAL 43 -11.741 -7.422 2.105 303 HA VAL 43 HA VAL 43 -10.879 -4.809 2.825 304 HB VAL 43 HB VAL 43 -13.298 -5.581 1.177 305 1HG1 VAL 43 HG11 VAL 43 -11.688 -3.032 1.265 306 2HG1 VAL 43 HG12 VAL 43 -13.317 -3.257 1.903 307 3HG1 VAL 43 HG13 VAL 43 -13.027 -3.367 0.167 308 1HG2 VAL 43 HG21 VAL 43 -11.836 -5.304 -0.778 309 2HG2 VAL 43 HG22 VAL 43 -11.296 -6.619 0.266 310 3HG2 VAL 43 HG23 VAL 43 -10.458 -5.068 0.296 311 H LEU 44 HN LEU 44 -11.333 -4.174 4.819 312 HA LEU 44 HA LEU 44 -14.071 -4.484 5.827 313 1HB LEU 44 HB2 LEU 44 -11.579 -3.648 7.320 314 2HB LEU 44 HB1 LEU 44 -13.135 -4.049 8.020 315 HG LEU 44 HG LEU 44 -11.279 -5.983 6.605 316 1HD1 LEU 44 HD11 LEU 44 -12.032 -5.710 9.516 317 2HD1 LEU 44 HD12 LEU 44 -10.470 -5.303 8.803 318 3HD1 LEU 44 HD13 LEU 44 -11.021 -6.978 8.822 319 1HD2 LEU 44 HD21 LEU 44 -12.857 -7.706 7.324 320 2HD2 LEU 44 HD22 LEU 44 -13.634 -6.543 6.249 321 3HD2 LEU 44 HD23 LEU 44 -13.923 -6.467 7.987 322 H LYS 45 HN LYS 45 -15.366 -2.767 5.601 323 HA LYS 45 HA LYS 45 -14.177 -0.218 4.903 324 1HB LYS 45 HB2 LYS 45 -17.044 -1.143 5.003 325 2HB LYS 45 HB1 LYS 45 -16.576 0.506 4.612 326 1HG LYS 45 HG2 LYS 45 -15.185 -0.451 2.746 327 2HG LYS 45 HG1 LYS 45 -15.965 -2.001 3.069 328 1HD LYS 45 HD2 LYS 45 -18.151 -0.996 2.645 329 2HD LYS 45 HD1 LYS 45 -17.383 0.565 2.348 330 1HE LYS 45 HE2 LYS 45 -17.853 -0.430 0.230 331 2HE LYS 45 HE1 LYS 45 -16.111 -0.498 0.484 332 1HZ LYS 45 HZ1 LYS 45 -16.401 -2.824 1.227 333 2HZ LYS 45 HZ2 LYS 45 -16.860 -2.581 -0.388 334 3HZ LYS 45 HZ3 LYS 45 -18.044 -2.727 0.817 335 H ALA 46 HN ALA 46 -13.818 1.380 6.222 336 HA ALA 46 HA ALA 46 -14.903 1.309 8.936 337 1HB ALA 46 HB1 ALA 46 -12.800 3.097 7.709 338 2HB ALA 46 HB2 ALA 46 -12.491 1.651 8.671 339 3HB ALA 46 HB3 ALA 46 -13.256 3.056 9.412 340 H CYS 47 HN CYS 47 -14.993 3.947 9.601 341 HA CYS 47 HA CYS 47 -17.455 4.849 8.742 342 1HB CYS 47 HB2 CYS 47 -16.654 7.104 9.607 343 2HB CYS 47 HB1 CYS 47 -16.544 5.756 10.735 344 HG CYS 47 HG CYS 47 -14.300 7.572 10.872 345 H GLY 48 HN GLY 48 -14.289 6.100 7.687 346 1HA GLY 48 HA2 GLY 48 -15.458 6.616 5.046 347 2HA GLY 48 HA1 GLY 48 -14.677 7.945 5.893 348 H ALA 49 HN ALA 49 -13.708 4.561 5.847 349 HA ALA 49 HA ALA 49 -11.459 5.101 4.105 350 1HB ALA 49 HB1 ALA 49 -11.017 4.282 6.978 351 2HB ALA 49 HB2 ALA 49 -10.614 5.849 6.275 352 3HB ALA 49 HB3 ALA 49 -9.774 4.396 5.732 353 H VAL 50 HN VAL 50 -10.148 3.069 3.795 354 HA VAL 50 HA VAL 50 -11.858 0.685 4.061 355 HB VAL 50 HB VAL 50 -9.996 1.365 1.772 356 1HG1 VAL 50 HG11 VAL 50 -10.004 -1.017 2.203 357 2HG1 VAL 50 HG12 VAL 50 -10.890 -0.670 0.718 358 3HG1 VAL 50 HG13 VAL 50 -11.768 -1.037 2.204 359 1HG2 VAL 50 HG21 VAL 50 -12.042 1.454 0.418 360 2HG2 VAL 50 HG22 VAL 50 -12.037 2.676 1.690 361 3HG2 VAL 50 HG23 VAL 50 -13.007 1.214 1.874 362 H ASP 51 HN ASP 51 -10.974 -0.710 5.437 363 HA ASP 51 HA ASP 51 -8.068 -0.706 5.818 364 1HB ASP 51 HB2 ASP 51 -10.241 -2.074 7.425 365 2HB ASP 51 HB1 ASP 51 -8.526 -2.094 7.809 366 H TYR 52 HN TYR 52 -6.960 -2.119 4.592 367 HA TYR 52 HA TYR 52 -8.151 -4.693 3.927 368 1HB TYR 52 HB2 TYR 52 -5.420 -3.555 3.289 369 2HB TYR 52 HB1 TYR 52 -5.984 -5.136 2.775 370 HD1 TYR 52 HD2 TYR 52 -7.655 -5.359 1.031 371 HD2 TYR 52 HD1 TYR 52 -6.259 -1.526 2.239 372 HE1 TYR 52 HE2 TYR 52 -8.633 -4.370 -0.997 373 HE2 TYR 52 HE1 TYR 52 -7.230 -0.528 0.212 374 HH TYR 52 HH TYR 52 -7.908 -1.219 -2.036 375 H PHE 53 HN PHE 53 -8.318 -5.891 5.705 376 HA PHE 53 HA PHE 53 -5.927 -6.453 7.315 377 1HB PHE 53 HB2 PHE 53 -7.366 -4.434 8.162 378 2HB PHE 53 HB1 PHE 53 -8.500 -5.678 8.667 379 HD1 PHE 53 HD2 PHE 53 -4.860 -4.847 8.957 380 HD2 PHE 53 HD1 PHE 53 -8.340 -6.471 10.801 381 HE1 PHE 53 HE2 PHE 53 -3.621 -5.104 11.061 382 HE2 PHE 53 HE1 PHE 53 -7.105 -6.723 12.910 383 HZ PHE 53 HZ PHE 53 -4.743 -6.038 13.043 384 H CYS 54 HN CYS 54 -5.837 -8.605 7.384 385 HA CYS 54 HA CYS 54 -7.992 -10.253 6.579 386 1HB CYS 54 HB2 CYS 54 -5.458 -11.053 8.023 387 2HB CYS 54 HB1 CYS 54 -6.521 -12.123 7.118 388 H GLN 55 HN GLN 55 -9.743 -9.853 7.982 389 HA GLN 55 HA GLN 55 -9.431 -10.252 10.815 390 1HB GLN 55 HB2 GLN 55 -11.059 -8.639 9.832 391 2HB GLN 55 HB1 GLN 55 -11.976 -10.000 9.203 392 1HG GLN 55 HG2 GLN 55 -12.404 -10.785 11.459 393 2HG GLN 55 HG1 GLN 55 -11.432 -9.467 12.117 394 1HE2 GLN 55 HE21 GLN 55 -13.156 -8.654 13.301 395 2HE2 GLN 55 HE22 GLN 55 -14.489 -7.833 12.559 396 H ASN 56 HN ASN 56 -10.679 -12.107 8.089 397 HA ASN 56 HA ASN 56 -11.007 -14.402 9.907 398 1HB ASN 56 HB2 ASN 56 -12.886 -15.170 8.559 399 2HB ASN 56 HB1 ASN 56 -13.186 -13.540 9.152 400 1HD2 ASN 56 HD21 ASN 56 -14.380 -14.906 6.909 401 2HD2 ASN 56 HD22 ASN 56 -14.041 -13.950 5.510 402 H GLY 57 HN GLY 57 -9.751 -13.259 6.876 403 1HA GLY 57 HA2 GLY 57 -9.333 -15.942 5.844 404 2HA GLY 57 HA1 GLY 57 -8.950 -14.441 5.021 405 H HIS 58 HN HIS 58 -7.854 -14.968 8.269 406 HA HIS 58 HA HIS 58 -5.453 -16.260 7.979 407 1HB HIS 58 HB2 HIS 58 -4.635 -14.674 6.383 408 2HB HIS 58 HB1 HIS 58 -5.217 -13.313 7.324 409 HD2 HIS 58 HD2 HIS 58 -3.131 -15.808 9.392 410 HE1 HIS 58 HE1 HIS 58 -0.626 -12.526 8.451 411 HE2 HIS 58 HE2 HIS 58 -1.028 -14.452 10.013 412 H GLY 59 HN GLY 59 -6.479 -13.123 9.289 413 1HA GLY 59 HA2 GLY 59 -6.968 -13.178 11.773 414 2HA GLY 59 HA1 GLY 59 -5.390 -13.955 11.895 415 H LEU 60 HN LEU 60 -6.329 -11.389 12.999 416 HA LEU 60 HA LEU 60 -5.521 -9.171 11.520 417 1HB LEU 60 HB2 LEU 60 -5.430 -7.953 13.592 418 2HB LEU 60 HB1 LEU 60 -6.791 -9.052 13.642 419 HG LEU 60 HG LEU 60 -4.167 -9.727 14.957 420 1HD1 LEU 60 HD11 LEU 60 -6.526 -8.292 16.175 421 2HD1 LEU 60 HD12 LEU 60 -4.942 -7.586 15.855 422 3HD1 LEU 60 HD13 LEU 60 -5.107 -8.878 17.044 423 1HD2 LEU 60 HD21 LEU 60 -5.759 -11.561 14.596 424 2HD2 LEU 60 HD22 LEU 60 -6.997 -10.647 15.457 425 3HD2 LEU 60 HD23 LEU 60 -5.556 -11.198 16.310 426 H ILE 61 HN ILE 61 -3.659 -8.157 11.158 427 HA ILE 61 HA ILE 61 -1.205 -9.616 11.831 428 HB ILE 61 HB ILE 61 -1.491 -7.460 9.727 429 1HG1 ILE 61 HG12 ILE 61 -1.436 -9.603 8.175 430 2HG1 ILE 61 HG11 ILE 61 -2.181 -10.365 9.575 431 1HG2 ILE 61 HG21 ILE 61 0.787 -7.970 10.413 432 2HG2 ILE 61 HG22 ILE 61 0.498 -8.500 8.755 433 3HG2 ILE 61 HG23 ILE 61 0.523 -9.679 10.066 434 1HD1 ILE 61 HD11 ILE 61 -3.244 -7.980 8.074 435 2HD1 ILE 61 HD12 ILE 61 -3.984 -8.706 9.501 436 3HD1 ILE 61 HD13 ILE 61 -3.865 -9.630 8.004 437 H SER 62 HN SER 62 0.658 -8.399 12.513 438 HA SER 62 HA SER 62 0.247 -6.223 14.235 439 1HB SER 62 HB2 SER 62 2.269 -7.763 14.170 440 2HB SER 62 HB1 SER 62 2.818 -6.858 12.760 441 HG SER 62 HG SER 62 2.984 -6.234 15.392 442 H LYS 63 HN LYS 63 0.109 -4.038 13.836 443 HA LYS 63 HA LYS 63 -0.582 -3.345 11.174 444 1HB LYS 63 HB2 LYS 63 -0.359 -1.723 13.696 445 2HB LYS 63 HB1 LYS 63 -0.797 -1.001 12.152 446 1HG LYS 63 HG2 LYS 63 -2.654 -2.694 12.015 447 2HG LYS 63 HG1 LYS 63 -2.283 -3.116 13.686 448 1HD LYS 63 HD2 LYS 63 -2.837 -0.926 14.442 449 2HD LYS 63 HD1 LYS 63 -2.939 -0.317 12.789 450 1HE LYS 63 HE2 LYS 63 -4.838 -1.854 12.386 451 2HE LYS 63 HE1 LYS 63 -4.769 -2.338 14.080 452 1HZ LYS 63 HZ1 LYS 63 -5.194 0.460 13.184 453 2HZ LYS 63 HZ2 LYS 63 -5.351 -0.151 14.759 454 3HZ LYS 63 HZ3 LYS 63 -6.456 -0.611 13.558 455 H LYS 64 HN LYS 64 2.414 -3.228 12.862 456 HA LYS 64 HA LYS 64 3.563 -1.310 11.014 457 1HB LYS 64 HB2 LYS 64 4.832 -3.028 13.146 458 2HB LYS 64 HB1 LYS 64 5.738 -1.941 12.106 459 1HG LYS 64 HG2 LYS 64 4.090 -0.140 12.996 460 2HG LYS 64 HG1 LYS 64 3.823 -1.301 14.298 461 1HD LYS 64 HD2 LYS 64 6.490 -0.167 13.458 462 2HD LYS 64 HD1 LYS 64 5.569 0.313 14.882 463 1HE LYS 64 HE2 LYS 64 5.791 -1.919 15.807 464 2HE LYS 64 HE1 LYS 64 6.639 -2.458 14.358 465 1HZ LYS 64 HZ1 LYS 64 7.605 -0.345 16.212 466 2HZ LYS 64 HZ2 LYS 64 8.433 -0.945 14.857 467 3HZ LYS 64 HZ3 LYS 64 8.155 -1.952 16.191 468 H ARG 65 HN ARG 65 2.640 -4.443 10.772 469 HA ARG 65 HA ARG 65 4.797 -5.076 8.882 470 1HB ARG 65 HB2 ARG 65 3.106 -6.801 10.633 471 2HB ARG 65 HB1 ARG 65 3.685 -7.456 9.107 472 1HG ARG 65 HG2 ARG 65 5.327 -6.445 11.412 473 2HG ARG 65 HG1 ARG 65 5.227 -8.095 10.789 474 1HD ARG 65 HD2 ARG 65 6.567 -5.698 9.585 475 2HD ARG 65 HD1 ARG 65 7.242 -7.290 9.924 476 HE ARG 65 HE ARG 65 5.133 -7.194 7.929 477 1HH1 ARG 65 HH11 ARG 65 8.574 -7.273 8.572 478 2HH1 ARG 65 HH12 ARG 65 8.994 -7.720 6.944 479 1HH2 ARG 65 HH21 ARG 65 5.679 -7.743 5.789 480 2HH2 ARG 65 HH22 ARG 65 7.345 -8.001 5.361 481 H VAL 66 HN VAL 66 1.923 -3.695 8.794 482 HA VAL 66 HA VAL 66 0.771 -5.137 6.574 483 HB VAL 66 HB VAL 66 0.145 -2.300 7.414 484 1HG1 VAL 66 HG11 VAL 66 -0.658 -2.913 5.205 485 2HG1 VAL 66 HG12 VAL 66 -2.008 -2.742 6.326 486 3HG1 VAL 66 HG13 VAL 66 -1.439 -4.348 5.867 487 1HG2 VAL 66 HG21 VAL 66 -1.120 -4.864 8.374 488 2HG2 VAL 66 HG22 VAL 66 -1.728 -3.239 8.695 489 3HG2 VAL 66 HG23 VAL 66 -0.164 -3.739 9.338 490 H ASN 67 HN ASN 67 1.976 -5.186 4.783 491 HA ASN 67 HA ASN 67 3.815 -3.089 4.154 492 1HB ASN 67 HB2 ASN 67 3.030 -5.635 2.766 493 2HB ASN 67 HB1 ASN 67 4.070 -4.453 1.979 494 1HD2 ASN 67 HD21 ASN 67 6.087 -3.970 2.910 495 2HD2 ASN 67 HD22 ASN 67 6.884 -5.105 3.954 496 H PHE 68 HN PHE 68 2.674 -1.235 3.836 497 HA PHE 68 HA PHE 68 0.578 -1.013 1.917 498 1HB PHE 68 HB2 PHE 68 2.364 1.229 2.877 499 2HB PHE 68 HB1 PHE 68 0.716 1.348 2.273 500 HD1 PHE 68 HD1 PHE 68 -1.023 -0.140 3.716 501 HD2 PHE 68 HD2 PHE 68 2.666 1.447 5.126 502 HE1 PHE 68 HE1 PHE 68 -1.866 -0.235 6.021 503 HE2 PHE 68 HE2 PHE 68 1.829 1.347 7.436 504 HZ PHE 68 HZ PHE 68 -0.440 0.507 7.886 505 H VAL 69 HN VAL 69 0.962 -1.443 -0.160 506 HA VAL 69 HA VAL 69 3.607 -0.809 -1.270 507 HB VAL 69 HB VAL 69 3.018 -2.340 -3.113 508 1HG1 VAL 69 HG11 VAL 69 3.131 -4.418 -1.829 509 2HG1 VAL 69 HG12 VAL 69 2.683 -3.541 -0.367 510 3HG1 VAL 69 HG13 VAL 69 4.215 -3.194 -1.169 511 1HG2 VAL 69 HG21 VAL 69 0.595 -2.053 -3.089 512 2HG2 VAL 69 HG22 VAL 69 0.507 -2.854 -1.521 513 3HG2 VAL 69 HG23 VAL 69 1.028 -3.757 -2.944 514 H ILE 70 HN ILE 70 3.556 -0.234 -3.662 515 HA ILE 70 HA ILE 70 1.613 1.936 -4.017 516 HB ILE 70 HB ILE 70 4.253 1.459 -5.417 517 1HG1 ILE 70 HG12 ILE 70 3.490 3.512 -3.325 518 2HG1 ILE 70 HG11 ILE 70 4.463 2.077 -3.024 519 1HG2 ILE 70 HG21 ILE 70 2.689 2.626 -6.858 520 2HG2 ILE 70 HG22 ILE 70 3.946 3.734 -6.306 521 3HG2 ILE 70 HG23 ILE 70 2.341 3.787 -5.576 522 1HD1 ILE 70 HD11 ILE 70 5.204 4.356 -4.845 523 2HD1 ILE 70 HD12 ILE 70 6.186 2.925 -4.526 524 3HD1 ILE 70 HD13 ILE 70 5.842 4.068 -3.225 525 H SER 71 HN SER 71 -0.083 1.390 -5.206 526 HA SER 71 HA SER 71 0.336 -0.353 -7.542 527 1HB SER 71 HB2 SER 71 -2.193 0.069 -5.927 528 2HB SER 71 HB1 SER 71 -2.035 -0.989 -7.329 529 HG SER 71 HG SER 71 -1.818 -1.946 -5.124 530 H ASP 72 HN ASP 72 0.602 0.996 -9.220 531 HA ASP 72 HA ASP 72 -1.302 3.222 -9.515 532 1HB ASP 72 HB2 ASP 72 0.424 4.316 -10.915 533 2HB ASP 72 HB1 ASP 72 0.977 4.021 -9.271 534 H GLN 73 HN GLN 73 -0.574 0.208 -10.687 535 HA GLN 73 HA GLN 73 -1.049 0.706 -13.479 536 1HB GLN 73 HB2 GLN 73 -0.994 -1.895 -11.937 537 2HB GLN 73 HB1 GLN 73 -1.105 -1.766 -13.686 538 1HG GLN 73 HG2 GLN 73 1.143 -2.246 -13.206 539 2HG GLN 73 HG1 GLN 73 1.094 -0.533 -13.614 540 1HE2 GLN 73 HE21 GLN 73 2.981 -0.086 -12.514 541 2HE2 GLN 73 HE22 GLN 73 3.065 -0.069 -10.786 542 H LEU 74 HN LEU 74 -2.819 -1.492 -11.318 543 HA LEU 74 HA LEU 74 -5.012 -2.050 -11.152 544 1HB LEU 74 HB2 LEU 74 -5.163 0.904 -11.633 545 2HB LEU 74 HB1 LEU 74 -6.632 -0.043 -11.518 546 HG LEU 74 HG LEU 74 -5.897 -0.800 -9.249 547 1HD1 LEU 74 HD11 LEU 74 -3.504 -0.427 -9.477 548 2HD1 LEU 74 HD12 LEU 74 -4.155 0.466 -8.102 549 3HD1 LEU 74 HD13 LEU 74 -3.776 1.310 -9.603 550 1HD2 LEU 74 HD21 LEU 74 -7.508 0.991 -9.510 551 2HD2 LEU 74 HD22 LEU 74 -6.203 2.168 -9.659 552 3HD2 LEU 74 HD23 LEU 74 -6.448 1.311 -8.137 553 H GLU 75 HN GLU 75 -7.298 -1.210 -12.507 554 HA GLU 75 HA GLU 75 -6.845 -2.526 -15.049 555 1HB GLU 75 HB2 GLU 75 -9.426 -1.646 -13.747 556 2HB GLU 75 HB1 GLU 75 -9.305 -2.577 -15.231 557 1HG GLU 75 HG2 GLU 75 -9.762 -4.195 -13.664 558 2HG GLU 75 HG1 GLU 75 -8.006 -4.275 -13.779 559 H HIS 76 HN HIS 76 -5.712 -0.824 -16.103 560 HA HIS 76 HA HIS 76 -7.428 1.394 -16.971 561 1HB HIS 76 HB2 HIS 76 -4.464 0.910 -17.138 562 2HB HIS 76 HB1 HIS 76 -5.241 2.080 -18.199 563 HD1 HIS 76 HD1 HIS 76 -3.524 1.956 -15.104 564 HD2 HIS 76 HD2 HIS 76 -6.884 3.984 -16.471 565 HE1 HIS 76 HE1 HIS 76 -3.795 3.922 -13.566 566 HE2 HIS 76 HE2 HIS 76 -5.927 5.048 -14.313 567 H HIS 77 HN HIS 77 -5.587 -1.342 -18.134 568 HA HIS 77 HA HIS 77 -7.437 -1.964 -20.178 569 1HB HIS 77 HB2 HIS 77 -6.140 0.011 -21.193 570 2HB HIS 77 HB1 HIS 77 -4.734 -1.048 -21.201 571 HD1 HIS 77 HD1 HIS 77 -4.801 -0.705 -23.846 572 HD2 HIS 77 HD2 HIS 77 -7.996 -2.813 -22.219 573 HE1 HIS 77 HE1 HIS 77 -5.906 -1.866 -25.782 574 HE2 HIS 77 HE2 HIS 77 -7.946 -2.969 -24.800 575 H HIS 78 HN HIS 78 -6.730 -3.426 -18.177 576 HA HIS 78 HA HIS 78 -5.728 -5.261 -17.335 577 1HB HIS 78 HB2 HIS 78 -4.908 -5.606 -20.211 578 2HB HIS 78 HB1 HIS 78 -4.340 -6.706 -18.959 579 HD1 HIS 78 HD1 HIS 78 -5.727 -8.738 -18.816 580 HD2 HIS 78 HD2 HIS 78 -7.950 -5.427 -19.986 581 HE1 HIS 78 HE1 HIS 78 -8.079 -9.574 -19.123 582 HE2 HIS 78 HE2 HIS 78 -9.361 -7.591 -20.016 583 H HIS 79 HN HIS 79 -3.361 -6.336 -17.259 584 HA HIS 79 HA HIS 79 -1.616 -4.064 -16.637 585 1HB HIS 79 HB2 HIS 79 -1.411 -6.975 -15.821 586 2HB HIS 79 HB1 HIS 79 -0.313 -5.698 -15.308 587 HD1 HIS 79 HD1 HIS 79 -0.813 -4.930 -13.014 588 HD2 HIS 79 HD2 HIS 79 -4.257 -6.134 -15.021 589 HE1 HIS 79 HE1 HIS 79 -2.704 -4.616 -11.384 590 HE2 HIS 79 HE2 HIS 79 -4.746 -5.507 -12.560 591 H HIS 80 HN HIS 80 -0.717 -3.530 -18.576 592 HA HIS 80 HA HIS 80 0.172 -5.620 -20.379 593 1HB HIS 80 HB2 HIS 80 -1.015 -3.581 -21.202 594 2HB HIS 80 HB1 HIS 80 0.366 -2.617 -20.696 595 HD1 HIS 80 HD1 HIS 80 -0.851 -4.822 -23.409 596 HD2 HIS 80 HD2 HIS 80 2.711 -2.990 -22.285 597 HE1 HIS 80 HE1 HIS 80 0.657 -4.976 -25.417 598 HE2 HIS 80 HE2 HIS 80 2.860 -4.023 -24.650 599 H HIS 81 HN HIS 81 2.133 -6.411 -20.420 600 HA HIS 81 HA HIS 81 4.305 -4.975 -19.077 601 1HB HIS 81 HB2 HIS 81 3.834 -7.448 -18.645 602 2HB HIS 81 HB1 HIS 81 4.422 -7.748 -20.277 603 HD1 HIS 81 HD1 HIS 81 6.991 -7.350 -20.707 604 HD2 HIS 81 HD2 HIS 81 5.781 -6.955 -16.742 605 HE1 HIS 81 HE1 HIS 81 9.103 -7.361 -19.347 606 HE2 HIS 81 HE2 HIS 81 8.361 -7.019 -16.959 Start of MODEL 11 1 1H MET 1 HT1 MET 1 18.435 0.798 3.894 2 2H MET 1 HT2 MET 1 17.314 1.153 5.115 3 3H MET 1 HT3 MET 1 18.121 2.410 4.318 4 HA MET 1 HA MET 1 17.045 1.848 2.248 5 1HB MET 1 HB2 MET 1 15.608 -0.197 3.952 6 2HB MET 1 HB1 MET 1 15.112 0.266 2.332 7 1HG MET 1 HG2 MET 1 17.289 -0.540 1.484 8 2HG MET 1 HG1 MET 1 17.682 -1.089 3.113 9 1HE MET 1 HE1 MET 1 16.997 -4.472 1.285 10 2HE MET 1 HE2 MET 1 18.123 -3.558 2.289 11 3HE MET 1 HE3 MET 1 17.801 -3.046 0.631 12 H GLU 2 HN GLU 2 16.275 3.892 2.332 13 HA GLU 2 HA GLU 2 14.009 4.450 4.110 14 1HB GLU 2 HB2 GLU 2 15.849 6.253 2.544 15 2HB GLU 2 HB1 GLU 2 14.362 6.833 3.279 16 1HG GLU 2 HG2 GLU 2 16.697 5.605 4.721 17 2HG GLU 2 HG1 GLU 2 16.269 7.317 4.674 18 H ILE 3 HN ILE 3 12.094 5.425 3.235 19 HA ILE 3 HA ILE 3 11.433 4.470 0.603 20 HB ILE 3 HB ILE 3 9.247 5.627 0.949 21 1HG1 ILE 3 HG12 ILE 3 10.359 6.240 3.696 22 2HG1 ILE 3 HG11 ILE 3 10.063 7.430 2.435 23 1HG2 ILE 3 HG21 ILE 3 9.557 3.291 1.571 24 2HG2 ILE 3 HG22 ILE 3 8.438 4.098 2.671 25 3HG2 ILE 3 HG23 ILE 3 10.099 3.783 3.175 26 1HD1 ILE 3 HD11 ILE 3 7.678 6.941 2.520 27 2HD1 ILE 3 HD12 ILE 3 8.290 7.431 4.101 28 3HD1 ILE 3 HD13 ILE 3 7.966 5.729 3.769 29 H THR 4 HN THR 4 11.703 5.512 -1.232 30 HA THR 4 HA THR 4 11.507 8.378 -1.385 31 HB THR 4 HB THR 4 13.808 8.396 -0.851 32 HG1 THR 4 HG1 THR 4 13.481 8.419 -3.684 33 1HG2 THR 4 HG21 THR 4 14.290 6.029 -1.028 34 2HG2 THR 4 HG22 THR 4 15.480 6.961 -1.941 35 3HG2 THR 4 HG23 THR 4 14.183 6.116 -2.787 36 H CYS 5 HN CYS 5 10.890 9.057 -3.372 37 HA CYS 5 HA CYS 5 9.946 7.240 -5.277 38 1HB CYS 5 HB2 CYS 5 10.120 9.452 -6.747 39 2HB CYS 5 HB1 CYS 5 8.905 9.275 -5.486 40 HA PRO 6 HA PRO 6 13.778 5.822 -6.900 41 1HB PRO 6 HB2 PRO 6 12.815 4.810 -9.281 42 2HB PRO 6 HB1 PRO 6 12.750 3.973 -7.729 43 1HG PRO 6 HG2 PRO 6 10.624 5.530 -9.133 44 2HG PRO 6 HG1 PRO 6 10.489 4.022 -8.210 45 1HD PRO 6 HD2 PRO 6 9.750 6.391 -7.179 46 2HD PRO 6 HD1 PRO 6 10.480 5.120 -6.177 47 H VAL 7 HN VAL 7 11.772 7.148 -9.543 48 HA VAL 7 HA VAL 7 14.054 7.997 -11.010 49 HB VAL 7 HB VAL 7 12.447 9.081 -12.534 50 1HG1 VAL 7 HG11 VAL 7 12.953 6.709 -12.784 51 2HG1 VAL 7 HG12 VAL 7 11.275 7.038 -13.216 52 3HG1 VAL 7 HG13 VAL 7 11.658 6.303 -11.659 53 1HG2 VAL 7 HG21 VAL 7 10.826 9.849 -10.863 54 2HG2 VAL 7 HG22 VAL 7 10.354 8.178 -10.553 55 3HG2 VAL 7 HG23 VAL 7 10.048 8.902 -12.132 56 H CYS 8 HN CYS 8 12.093 9.468 -8.597 57 HA CYS 8 HA CYS 8 13.535 11.998 -8.979 58 1HB CYS 8 HB2 CYS 8 11.432 12.637 -7.347 59 2HB CYS 8 HB1 CYS 8 11.448 12.848 -9.095 60 H HIS 9 HN HIS 9 15.076 10.393 -7.834 61 HA HIS 9 HA HIS 9 14.726 9.473 -5.245 62 1HB HIS 9 HB2 HIS 9 16.464 8.672 -6.769 63 2HB HIS 9 HB1 HIS 9 17.294 10.218 -6.655 64 HD1 HIS 9 HD1 HIS 9 16.875 6.966 -4.936 65 HD2 HIS 9 HD2 HIS 9 18.630 10.661 -4.173 66 HE1 HIS 9 HE1 HIS 9 18.398 6.606 -2.969 67 HE2 HIS 9 HE2 HIS 9 19.627 8.792 -2.689 68 H HIS 10 HN HIS 10 14.707 10.361 -3.315 69 HA HIS 10 HA HIS 10 16.535 12.237 -2.367 70 1HB HIS 10 HB2 HIS 10 15.099 13.752 -3.841 71 2HB HIS 10 HB1 HIS 10 13.795 13.458 -2.701 72 HD1 HIS 10 HD1 HIS 10 13.659 15.039 -0.772 73 HD2 HIS 10 HD2 HIS 10 17.401 15.065 -2.591 74 HE1 HIS 10 HE1 HIS 10 14.887 16.977 0.233 75 HE2 HIS 10 HE2 HIS 10 17.071 17.082 -1.010 76 H ALA 11 HN ALA 11 13.080 11.695 -1.976 77 HA ALA 11 HA ALA 11 13.298 9.825 0.116 78 1HB ALA 11 HB1 ALA 11 12.536 12.607 1.023 79 2HB ALA 11 HB2 ALA 11 14.018 11.751 1.452 80 3HB ALA 11 HB3 ALA 11 12.455 11.140 1.998 81 H LEU 12 HN LEU 12 10.962 9.839 1.330 82 HA LEU 12 HA LEU 12 8.854 10.832 -0.427 83 1HB LEU 12 HB2 LEU 12 9.310 7.961 0.263 84 2HB LEU 12 HB1 LEU 12 7.663 8.546 0.141 85 HG LEU 12 HG LEU 12 9.738 8.551 -2.051 86 1HD1 LEU 12 HD11 LEU 12 8.210 6.987 -3.138 87 2HD1 LEU 12 HD12 LEU 12 7.140 7.053 -1.740 88 3HD1 LEU 12 HD13 LEU 12 8.754 6.364 -1.581 89 1HD2 LEU 12 HD21 LEU 12 7.979 9.438 -3.490 90 2HD2 LEU 12 HD22 LEU 12 8.333 10.557 -2.171 91 3HD2 LEU 12 HD23 LEU 12 6.889 9.545 -2.108 92 H GLU 13 HN GLU 13 6.985 11.363 0.615 93 HA GLU 13 HA GLU 13 7.087 11.185 3.544 94 1HB GLU 13 HB2 GLU 13 7.046 13.462 2.629 95 2HB GLU 13 HB1 GLU 13 5.558 13.094 1.769 96 1HG GLU 13 HG2 GLU 13 4.419 12.745 3.904 97 2HG GLU 13 HG1 GLU 13 5.912 13.144 4.753 98 H ARG 14 HN ARG 14 6.011 9.389 4.133 99 HA ARG 14 HA ARG 14 3.668 8.526 2.697 100 1HB ARG 14 HB2 ARG 14 3.560 6.727 4.431 101 2HB ARG 14 HB1 ARG 14 5.063 6.779 3.528 102 1HG ARG 14 HG2 ARG 14 6.170 7.867 5.408 103 2HG ARG 14 HG1 ARG 14 4.655 7.853 6.314 104 1HD ARG 14 HD2 ARG 14 4.626 5.441 6.322 105 2HD ARG 14 HD1 ARG 14 6.042 5.385 5.274 106 HE ARG 14 HE ARG 14 6.484 6.776 7.766 107 1HH1 ARG 14 HH11 ARG 14 6.407 3.621 6.239 108 2HH1 ARG 14 HH12 ARG 14 7.593 2.928 7.298 109 1HH2 ARG 14 HH21 ARG 14 8.006 5.849 9.204 110 2HH2 ARG 14 HH22 ARG 14 8.485 4.188 9.008 111 H ASN 15 HN ASN 15 1.770 9.406 2.966 112 HA ASN 15 HA ASN 15 1.180 10.875 5.417 113 1HB ASN 15 HB2 ASN 15 -0.189 10.691 2.737 114 2HB ASN 15 HB1 ASN 15 -0.965 11.452 4.119 115 1HD2 ASN 15 HD21 ASN 15 2.485 11.632 3.482 116 2HD2 ASN 15 HD22 ASN 15 2.510 13.317 3.105 117 H GLY 16 HN GLY 16 0.953 7.779 4.449 118 1HA GLY 16 HA2 GLY 16 -0.064 6.110 5.824 119 2HA GLY 16 HA1 GLY 16 -1.332 7.264 6.220 120 H ASP 17 HN ASP 17 -2.311 8.144 3.977 121 HA ASP 17 HA ASP 17 -3.524 5.815 2.756 122 1HB ASP 17 HB2 ASP 17 -4.991 7.450 1.645 123 2HB ASP 17 HB1 ASP 17 -4.918 7.740 3.381 124 H THR 18 HN THR 18 -1.293 8.376 1.905 125 HA THR 18 HA THR 18 -0.726 7.010 -0.616 126 HB THR 18 HB THR 18 -0.489 9.405 -1.617 127 HG1 THR 18 HG1 THR 18 -2.574 9.966 0.235 128 1HG2 THR 18 HG21 THR 18 -2.106 7.750 -2.414 129 2HG2 THR 18 HG22 THR 18 -2.817 9.363 -2.386 130 3HG2 THR 18 HG23 THR 18 -3.217 8.201 -1.121 131 H ALA 19 HN ALA 19 1.285 7.780 -1.628 132 HA ALA 19 HA ALA 19 3.239 8.695 0.380 133 1HB ALA 19 HB1 ALA 19 3.697 6.450 -0.504 134 2HB ALA 19 HB2 ALA 19 4.947 7.597 -0.986 135 3HB ALA 19 HB3 ALA 19 3.713 7.101 -2.143 136 H HIS 20 HN HIS 20 3.695 10.765 0.146 137 HA HIS 20 HA HIS 20 3.118 12.065 -2.399 138 1HB HIS 20 HB2 HIS 20 2.110 12.970 -0.347 139 2HB HIS 20 HB1 HIS 20 3.711 13.224 0.333 140 HD1 HIS 20 HD1 HIS 20 1.397 14.549 -2.331 141 HD2 HIS 20 HD2 HIS 20 5.010 15.517 -0.487 142 HE1 HIS 20 HE1 HIS 20 1.911 16.914 -3.040 143 HE2 HIS 20 HE2 HIS 20 4.169 17.409 -2.036 144 H CYS 21 HN CYS 21 4.626 12.893 -3.703 145 HA CYS 21 HA CYS 21 7.401 12.486 -3.107 146 1HB CYS 21 HB2 CYS 21 5.875 13.490 -5.472 147 2HB CYS 21 HB1 CYS 21 7.601 13.805 -5.371 148 H GLU 22 HN GLU 22 8.996 14.131 -3.209 149 HA GLU 22 HA GLU 22 8.310 16.078 -1.214 150 1HB GLU 22 HB2 GLU 22 11.050 16.044 -2.299 151 2HB GLU 22 HB1 GLU 22 10.499 15.930 -0.632 152 1HG GLU 22 HG2 GLU 22 11.438 13.856 -0.950 153 2HG GLU 22 HG1 GLU 22 9.741 13.543 -1.322 154 H THR 23 HN THR 23 10.409 16.426 -4.057 155 HA THR 23 HA THR 23 9.468 19.195 -4.277 156 HB THR 23 HB THR 23 11.846 19.019 -3.825 157 HG1 THR 23 HG1 THR 23 11.325 20.735 -5.131 158 1HG2 THR 23 HG21 THR 23 11.990 17.356 -6.339 159 2HG2 THR 23 HG22 THR 23 12.329 16.822 -4.690 160 3HG2 THR 23 HG23 THR 23 13.384 18.000 -5.469 161 H CYS 24 HN CYS 24 8.893 16.293 -5.549 162 HA CYS 24 HA CYS 24 8.253 17.386 -8.199 163 1HB CYS 24 HB2 CYS 24 7.905 14.778 -8.603 164 2HB CYS 24 HB1 CYS 24 9.493 15.527 -8.739 165 H ALA 25 HN ALA 25 6.139 17.387 -8.858 166 HA ALA 25 HA ALA 25 4.169 17.100 -6.776 167 1HB ALA 25 HB1 ALA 25 3.790 17.820 -9.679 168 2HB ALA 25 HB2 ALA 25 4.072 18.964 -8.368 169 3HB ALA 25 HB3 ALA 25 2.598 17.997 -8.392 170 H LYS 26 HN LYS 26 4.524 14.785 -6.488 171 HA LYS 26 HA LYS 26 2.761 13.242 -8.253 172 1HB LYS 26 HB2 LYS 26 5.417 12.193 -7.247 173 2HB LYS 26 HB1 LYS 26 4.293 11.365 -8.313 174 1HG LYS 26 HG2 LYS 26 4.750 12.918 -10.089 175 2HG LYS 26 HG1 LYS 26 5.741 13.911 -9.021 176 1HD LYS 26 HD2 LYS 26 7.262 12.643 -10.298 177 2HD LYS 26 HD1 LYS 26 7.208 11.866 -8.714 178 1HE LYS 26 HE2 LYS 26 7.145 10.133 -10.330 179 2HE LYS 26 HE1 LYS 26 5.518 10.272 -9.670 180 1HZ LYS 26 HZ1 LYS 26 5.492 10.040 -12.080 181 2HZ LYS 26 HZ2 LYS 26 6.434 11.436 -12.244 182 3HZ LYS 26 HZ3 LYS 26 4.866 11.547 -11.616 183 H ASP 27 HN ASP 27 1.496 11.776 -7.201 184 HA ASP 27 HA ASP 27 2.072 11.202 -4.376 185 1HB ASP 27 HB2 ASP 27 -0.589 12.052 -5.539 186 2HB ASP 27 HB1 ASP 27 -0.445 11.231 -3.989 187 H PHE 28 HN PHE 28 2.219 9.085 -4.080 188 HA PHE 28 HA PHE 28 1.113 7.314 -6.138 189 1HB PHE 28 HB2 PHE 28 3.097 6.691 -3.943 190 2HB PHE 28 HB1 PHE 28 2.641 5.627 -5.268 191 HD1 PHE 28 HD1 PHE 28 3.020 6.641 -7.671 192 HD2 PHE 28 HD2 PHE 28 5.004 7.939 -4.138 193 HE1 PHE 28 HE1 PHE 28 4.843 7.573 -9.039 194 HE2 PHE 28 HE2 PHE 28 6.826 8.875 -5.496 195 HZ PHE 28 HZ PHE 28 6.748 8.693 -7.953 196 H SER 29 HN SER 29 -0.355 5.749 -5.709 197 HA SER 29 HA SER 29 -1.862 5.948 -3.273 198 1HB SER 29 HB2 SER 29 -2.162 3.923 -5.501 199 2HB SER 29 HB1 SER 29 -3.377 4.384 -4.310 200 HG SER 29 HG SER 29 -3.255 6.530 -5.241 201 H LEU 30 HN LEU 30 -1.538 4.796 -1.471 202 HA LEU 30 HA LEU 30 0.272 2.491 -1.597 203 1HB LEU 30 HB2 LEU 30 -0.691 4.128 0.753 204 2HB LEU 30 HB1 LEU 30 0.343 2.721 0.890 205 HG LEU 30 HG LEU 30 1.048 5.323 -0.474 206 1HD1 LEU 30 HD11 LEU 30 1.034 5.486 1.955 207 2HD1 LEU 30 HD12 LEU 30 2.689 5.520 1.341 208 3HD1 LEU 30 HD13 LEU 30 2.051 4.048 2.071 209 1HD2 LEU 30 HD21 LEU 30 2.687 2.821 -0.083 210 2HD2 LEU 30 HD22 LEU 30 3.280 4.352 -0.727 211 3HD2 LEU 30 HD23 LEU 30 2.070 3.431 -1.618 212 H GLN 31 HN GLN 31 -0.441 0.479 -1.266 213 HA GLN 31 HA GLN 31 -3.191 0.156 -0.266 214 1HB GLN 31 HB2 GLN 31 -2.819 -0.673 -2.580 215 2HB GLN 31 HB1 GLN 31 -1.588 -1.771 -1.966 216 1HG GLN 31 HG2 GLN 31 -3.187 -3.019 -0.742 217 2HG GLN 31 HG1 GLN 31 -4.445 -1.822 -1.038 218 1HE2 GLN 31 HE21 GLN 31 -2.226 -2.756 -3.550 219 2HE2 GLN 31 HE22 GLN 31 -3.370 -3.645 -4.491 220 H ALA 32 HN ALA 32 -3.443 -0.796 1.630 221 HA ALA 32 HA ALA 32 -1.270 -1.656 3.214 222 1HB ALA 32 HB1 ALA 32 -3.029 -2.475 4.772 223 2HB ALA 32 HB2 ALA 32 -4.239 -2.076 3.552 224 3HB ALA 32 HB3 ALA 32 -3.258 -0.800 4.269 225 H LEU 33 HN LEU 33 -0.101 -3.300 2.424 226 HA LEU 33 HA LEU 33 -1.477 -5.643 1.359 227 1HB LEU 33 HB2 LEU 33 0.837 -4.228 0.608 228 2HB LEU 33 HB1 LEU 33 1.399 -5.772 1.216 229 HG LEU 33 HG LEU 33 1.121 -5.914 -1.172 230 1HD1 LEU 33 HD11 LEU 33 0.569 -7.914 0.087 231 2HD1 LEU 33 HD12 LEU 33 -0.454 -7.771 -1.343 232 3HD1 LEU 33 HD13 LEU 33 -1.099 -7.365 0.245 233 1HD2 LEU 33 HD21 LEU 33 -0.480 -4.112 -1.476 234 2HD2 LEU 33 HD22 LEU 33 -1.732 -5.078 -0.694 235 3HD2 LEU 33 HD23 LEU 33 -1.055 -5.595 -2.238 236 H CYS 34 HN CYS 34 -1.006 -7.721 2.076 237 HA CYS 34 HA CYS 34 0.080 -7.896 4.777 238 1HB CYS 34 HB2 CYS 34 -0.800 -10.323 4.517 239 2HB CYS 34 HB1 CYS 34 -1.976 -9.024 4.682 240 HA PRO 35 HA PRO 35 3.915 -8.769 2.692 241 1HB PRO 35 HB2 PRO 35 5.353 -9.302 4.978 242 2HB PRO 35 HB1 PRO 35 5.027 -7.682 4.352 243 1HG PRO 35 HG2 PRO 35 3.620 -9.198 6.514 244 2HG PRO 35 HG1 PRO 35 4.077 -7.484 6.461 245 1HD PRO 35 HD2 PRO 35 1.559 -8.279 5.985 246 2HD PRO 35 HD1 PRO 35 2.284 -6.923 5.099 247 H ASP 36 HN ASP 36 3.038 -10.931 5.408 248 HA ASP 36 HA ASP 36 4.658 -13.076 4.729 249 1HB ASP 36 HB2 ASP 36 3.365 -12.852 6.860 250 2HB ASP 36 HB1 ASP 36 1.906 -13.283 5.973 251 H CYS 37 HN CYS 37 1.175 -12.805 4.026 252 HA CYS 37 HA CYS 37 1.638 -14.406 1.611 253 1HB CYS 37 HB2 CYS 37 -0.820 -14.715 1.572 254 2HB CYS 37 HB1 CYS 37 -0.107 -15.296 3.071 255 H ARG 38 HN ARG 38 2.533 -12.741 0.348 256 HA ARG 38 HA ARG 38 1.338 -10.132 0.288 257 1HB ARG 38 HB2 ARG 38 3.777 -10.497 0.036 258 2HB ARG 38 HB1 ARG 38 3.482 -11.256 -1.521 259 1HG ARG 38 HG2 ARG 38 2.822 -9.252 -2.512 260 2HG ARG 38 HG1 ARG 38 2.552 -8.468 -0.955 261 1HD ARG 38 HD2 ARG 38 4.575 -7.625 -1.985 262 2HD ARG 38 HD1 ARG 38 4.962 -8.518 -0.519 263 HE ARG 38 HE ARG 38 5.119 -10.133 -2.883 264 1HH1 ARG 38 HH11 ARG 38 6.863 -7.836 -0.896 265 2HH1 ARG 38 HH12 ARG 38 8.430 -8.359 -1.431 266 1HH2 ARG 38 HH21 ARG 38 7.157 -10.828 -3.595 267 2HH2 ARG 38 HH22 ARG 38 8.598 -10.078 -2.962 268 H GLN 39 HN GLN 39 -0.665 -10.291 -0.376 269 HA GLN 39 HA GLN 39 -1.260 -10.057 -3.089 270 1HB GLN 39 HB2 GLN 39 -3.059 -12.107 -2.720 271 2HB GLN 39 HB1 GLN 39 -1.616 -12.192 -3.705 272 1HG GLN 39 HG2 GLN 39 -1.651 -14.135 -2.412 273 2HG GLN 39 HG1 GLN 39 -0.423 -13.102 -1.699 274 1HE2 GLN 39 HE21 GLN 39 -2.013 -15.352 -0.680 275 2HE2 GLN 39 HE22 GLN 39 -2.762 -14.780 0.774 276 HA PRO 40 HA PRO 40 -4.782 -7.756 -1.773 277 1HB PRO 40 HB2 PRO 40 -6.548 -9.945 -2.808 278 2HB PRO 40 HB1 PRO 40 -6.687 -8.196 -3.019 279 1HG PRO 40 HG2 PRO 40 -5.697 -9.722 -4.961 280 2HG PRO 40 HG1 PRO 40 -5.016 -8.122 -4.623 281 1HD PRO 40 HD2 PRO 40 -3.898 -10.807 -4.067 282 2HD PRO 40 HD1 PRO 40 -3.060 -9.270 -4.347 283 H LEU 41 HN LEU 41 -6.206 -7.541 -0.080 284 HA LEU 41 HA LEU 41 -6.308 -9.826 1.771 285 1HB LEU 41 HB2 LEU 41 -6.315 -6.868 2.393 286 2HB LEU 41 HB1 LEU 41 -6.479 -8.143 3.581 287 HG LEU 41 HG LEU 41 -4.169 -8.939 2.759 288 1HD1 LEU 41 HD11 LEU 41 -2.740 -7.183 1.850 289 2HD1 LEU 41 HD12 LEU 41 -4.135 -6.110 1.719 290 3HD1 LEU 41 HD13 LEU 41 -4.056 -7.579 0.746 291 1HD2 LEU 41 HD21 LEU 41 -4.561 -7.970 4.946 292 2HD2 LEU 41 HD22 LEU 41 -4.476 -6.346 4.267 293 3HD2 LEU 41 HD23 LEU 41 -3.043 -7.375 4.275 294 H GLN 42 HN GLN 42 -8.132 -9.012 3.557 295 HA GLN 42 HA GLN 42 -10.606 -9.131 2.061 296 1HB GLN 42 HB2 GLN 42 -10.369 -10.589 3.995 297 2HB GLN 42 HB1 GLN 42 -10.032 -9.210 5.032 298 1HG GLN 42 HG2 GLN 42 -12.273 -9.929 5.413 299 2HG GLN 42 HG1 GLN 42 -12.317 -8.372 4.589 300 1HE2 GLN 42 HE21 GLN 42 -14.318 -10.509 4.785 301 2HE2 GLN 42 HE22 GLN 42 -14.718 -10.938 3.155 302 H VAL 43 HN VAL 43 -11.916 -7.459 1.711 303 HA VAL 43 HA VAL 43 -11.009 -4.827 2.449 304 HB VAL 43 HB VAL 43 -13.527 -5.621 0.970 305 1HG1 VAL 43 HG11 VAL 43 -13.522 -3.323 0.151 306 2HG1 VAL 43 HG12 VAL 43 -12.093 -2.976 1.124 307 3HG1 VAL 43 HG13 VAL 43 -13.620 -3.370 1.913 308 1HG2 VAL 43 HG21 VAL 43 -11.536 -6.422 -0.186 309 2HG2 VAL 43 HG22 VAL 43 -10.833 -4.806 -0.114 310 3HG2 VAL 43 HG23 VAL 43 -12.287 -5.095 -1.072 311 H LEU 44 HN LEU 44 -11.322 -4.288 4.516 312 HA LEU 44 HA LEU 44 -13.870 -4.920 5.803 313 1HB LEU 44 HB2 LEU 44 -11.362 -3.687 6.945 314 2HB LEU 44 HB1 LEU 44 -12.788 -4.127 7.864 315 HG LEU 44 HG LEU 44 -10.888 -6.008 6.460 316 1HD1 LEU 44 HD11 LEU 44 -11.566 -5.627 9.372 317 2HD1 LEU 44 HD12 LEU 44 -10.087 -5.084 8.579 318 3HD1 LEU 44 HD13 LEU 44 -10.434 -6.808 8.711 319 1HD2 LEU 44 HD21 LEU 44 -13.171 -6.826 6.231 320 2HD2 LEU 44 HD22 LEU 44 -13.433 -6.622 7.963 321 3HD2 LEU 44 HD23 LEU 44 -12.268 -7.812 7.380 322 H LYS 45 HN LYS 45 -15.393 -3.430 6.195 323 HA LYS 45 HA LYS 45 -14.861 -0.740 5.162 324 1HB LYS 45 HB2 LYS 45 -17.457 -2.211 5.624 325 2HB LYS 45 HB1 LYS 45 -17.352 -0.543 5.077 326 1HG LYS 45 HG2 LYS 45 -16.200 -1.260 3.061 327 2HG LYS 45 HG1 LYS 45 -16.245 -2.934 3.620 328 1HD LYS 45 HD2 LYS 45 -18.679 -2.899 3.570 329 2HD LYS 45 HD1 LYS 45 -18.657 -1.209 3.059 330 1HE LYS 45 HE2 LYS 45 -17.548 -1.813 0.995 331 2HE LYS 45 HE1 LYS 45 -17.444 -3.495 1.514 332 1HZ LYS 45 HZ1 LYS 45 -19.952 -1.988 0.992 333 2HZ LYS 45 HZ2 LYS 45 -19.862 -3.597 1.523 334 3HZ LYS 45 HZ3 LYS 45 -19.273 -3.178 -0.013 335 H ALA 46 HN ALA 46 -14.654 0.889 6.498 336 HA ALA 46 HA ALA 46 -15.939 0.733 9.145 337 1HB ALA 46 HB1 ALA 46 -13.480 2.294 8.340 338 2HB ALA 46 HB2 ALA 46 -13.497 0.816 9.302 339 3HB ALA 46 HB3 ALA 46 -14.222 2.292 9.939 340 H CYS 47 HN CYS 47 -16.430 3.031 9.986 341 HA CYS 47 HA CYS 47 -18.372 4.165 8.349 342 1HB CYS 47 HB2 CYS 47 -18.308 6.077 9.983 343 2HB CYS 47 HB1 CYS 47 -18.502 4.483 10.703 344 HG CYS 47 HG CYS 47 -16.870 5.593 12.487 345 H GLY 48 HN GLY 48 -15.051 5.269 8.947 346 1HA GLY 48 HA2 GLY 48 -15.323 6.972 6.552 347 2HA GLY 48 HA1 GLY 48 -14.549 7.572 8.012 348 H ALA 49 HN ALA 49 -14.161 4.290 6.838 349 HA ALA 49 HA ALA 49 -11.623 4.835 5.597 350 1HB ALA 49 HB1 ALA 49 -11.670 3.317 8.203 351 2HB ALA 49 HB2 ALA 49 -10.994 4.927 7.960 352 3HB ALA 49 HB3 ALA 49 -10.269 3.536 7.156 353 H VAL 50 HN VAL 50 -10.693 2.988 4.608 354 HA VAL 50 HA VAL 50 -12.357 0.563 4.587 355 HB VAL 50 HB VAL 50 -11.017 1.781 2.155 356 1HG1 VAL 50 HG11 VAL 50 -12.757 -0.669 2.416 357 2HG1 VAL 50 HG12 VAL 50 -11.022 -0.654 2.101 358 3HG1 VAL 50 HG13 VAL 50 -12.141 0.001 0.904 359 1HG2 VAL 50 HG21 VAL 50 -13.947 1.574 2.851 360 2HG2 VAL 50 HG22 VAL 50 -13.299 2.128 1.306 361 3HG2 VAL 50 HG23 VAL 50 -12.993 3.054 2.775 362 H ASP 51 HN ASP 51 -11.121 -0.917 5.572 363 HA ASP 51 HA ASP 51 -8.206 -0.636 5.401 364 1HB ASP 51 HB2 ASP 51 -9.919 -2.234 7.314 365 2HB ASP 51 HB1 ASP 51 -8.163 -2.166 7.357 366 H TYR 52 HN TYR 52 -6.917 -2.149 4.524 367 HA TYR 52 HA TYR 52 -8.125 -4.621 3.541 368 1HB TYR 52 HB2 TYR 52 -5.475 -3.294 3.015 369 2HB TYR 52 HB1 TYR 52 -5.764 -4.969 2.574 370 HD1 TYR 52 HD2 TYR 52 -7.631 -5.480 0.952 371 HD2 TYR 52 HD1 TYR 52 -6.198 -1.533 1.632 372 HE1 TYR 52 HE2 TYR 52 -8.617 -4.764 -1.181 373 HE2 TYR 52 HE1 TYR 52 -7.179 -0.806 -0.505 374 HH TYR 52 HH TYR 52 -7.846 -1.851 -2.672 375 H PHE 53 HN PHE 53 -8.234 -6.171 4.985 376 HA PHE 53 HA PHE 53 -5.913 -6.888 6.610 377 1HB PHE 53 HB2 PHE 53 -7.467 -5.095 7.750 378 2HB PHE 53 HB1 PHE 53 -8.549 -6.458 7.992 379 HD1 PHE 53 HD1 PHE 53 -7.704 -8.439 9.321 380 HD2 PHE 53 HD2 PHE 53 -5.668 -4.708 9.156 381 HE1 PHE 53 HE1 PHE 53 -6.500 -9.006 11.391 382 HE2 PHE 53 HE2 PHE 53 -4.456 -5.271 11.221 383 HZ PHE 53 HZ PHE 53 -4.874 -7.423 12.342 384 H CYS 54 HN CYS 54 -5.802 -9.018 5.997 385 HA CYS 54 HA CYS 54 -8.220 -10.335 5.166 386 1HB CYS 54 HB2 CYS 54 -6.562 -12.284 4.793 387 2HB CYS 54 HB1 CYS 54 -6.426 -10.862 3.768 388 H GLN 55 HN GLN 55 -9.399 -10.453 7.061 389 HA GLN 55 HA GLN 55 -8.451 -11.896 9.364 390 1HB GLN 55 HB2 GLN 55 -11.179 -10.916 8.502 391 2HB GLN 55 HB1 GLN 55 -10.919 -11.805 9.995 392 1HG GLN 55 HG2 GLN 55 -9.346 -9.328 9.450 393 2HG GLN 55 HG1 GLN 55 -11.013 -9.213 10.015 394 1HE2 GLN 55 HE21 GLN 55 -11.530 -9.946 12.077 395 2HE2 GLN 55 HE22 GLN 55 -10.323 -10.218 13.285 396 H ASN 56 HN ASN 56 -11.252 -12.518 7.277 397 HA ASN 56 HA ASN 56 -10.882 -15.380 7.627 398 1HB ASN 56 HB2 ASN 56 -13.161 -14.386 7.758 399 2HB ASN 56 HB1 ASN 56 -13.012 -13.893 6.074 400 1HD2 ASN 56 HD21 ASN 56 -14.702 -15.124 5.341 401 2HD2 ASN 56 HD22 ASN 56 -14.652 -16.855 5.287 402 H GLY 57 HN GLY 57 -9.459 -16.338 6.348 403 1HA GLY 57 HA2 GLY 57 -9.451 -17.027 3.875 404 2HA GLY 57 HA1 GLY 57 -9.138 -15.319 3.604 405 H HIS 58 HN HIS 58 -7.300 -14.676 5.493 406 HA HIS 58 HA HIS 58 -5.071 -16.483 4.806 407 1HB HIS 58 HB2 HIS 58 -4.913 -13.481 5.185 408 2HB HIS 58 HB1 HIS 58 -3.573 -14.545 4.777 409 HD2 HIS 58 HD2 HIS 58 -5.691 -16.066 2.425 410 HE1 HIS 58 HE1 HIS 58 -5.086 -12.317 0.544 411 HE2 HIS 58 HE2 HIS 58 -6.042 -14.633 0.298 412 H GLY 59 HN GLY 59 -5.864 -13.892 7.167 413 1HA GLY 59 HA2 GLY 59 -5.879 -15.531 9.406 414 2HA GLY 59 HA1 GLY 59 -4.212 -15.010 9.198 415 H LEU 60 HN LEU 60 -3.628 -13.020 9.787 416 HA LEU 60 HA LEU 60 -5.174 -10.720 9.759 417 1HB LEU 60 HB2 LEU 60 -5.455 -10.290 12.195 418 2HB LEU 60 HB1 LEU 60 -6.490 -11.560 11.581 419 HG LEU 60 HG LEU 60 -4.064 -12.708 12.624 420 1HD1 LEU 60 HD11 LEU 60 -4.387 -12.112 14.978 421 2HD1 LEU 60 HD12 LEU 60 -5.615 -10.935 14.508 422 3HD1 LEU 60 HD13 LEU 60 -3.939 -10.711 14.004 423 1HD2 LEU 60 HD21 LEU 60 -6.943 -12.865 13.517 424 2HD2 LEU 60 HD22 LEU 60 -5.652 -13.979 13.971 425 3HD2 LEU 60 HD23 LEU 60 -6.186 -13.884 12.293 426 H ILE 61 HN ILE 61 -3.550 -9.483 9.194 427 HA ILE 61 HA ILE 61 -0.890 -9.935 10.279 428 HB ILE 61 HB ILE 61 -1.673 -7.837 8.258 429 1HG1 ILE 61 HG12 ILE 61 -2.465 -9.980 7.406 430 2HG1 ILE 61 HG11 ILE 61 -1.050 -9.460 6.500 431 1HG2 ILE 61 HG21 ILE 61 0.530 -7.594 9.265 432 2HG2 ILE 61 HG22 ILE 61 0.663 -8.029 7.562 433 3HG2 ILE 61 HG23 ILE 61 0.935 -9.248 8.809 434 1HD1 ILE 61 HD11 ILE 61 -1.064 -11.516 8.697 435 2HD1 ILE 61 HD12 ILE 61 0.335 -11.023 7.742 436 3HD1 ILE 61 HD13 ILE 61 -1.018 -11.849 6.965 437 H SER 62 HN SER 62 -0.081 -8.780 11.916 438 HA SER 62 HA SER 62 -1.463 -6.893 13.387 439 1HB SER 62 HB2 SER 62 0.651 -8.094 14.075 440 2HB SER 62 HB1 SER 62 1.550 -6.941 13.090 441 HG SER 62 HG SER 62 -0.195 -6.244 15.220 442 H LYS 63 HN LYS 63 -1.787 -4.726 13.276 443 HA LYS 63 HA LYS 63 -1.630 -3.539 10.723 444 1HB LYS 63 HB2 LYS 63 -2.577 -1.559 11.756 445 2HB LYS 63 HB1 LYS 63 -3.383 -2.998 12.362 446 1HG LYS 63 HG2 LYS 63 -2.073 -2.877 14.417 447 2HG LYS 63 HG1 LYS 63 -1.245 -1.441 13.808 448 1HD LYS 63 HD2 LYS 63 -3.430 -0.291 13.670 449 2HD LYS 63 HD1 LYS 63 -4.198 -1.714 14.377 450 1HE LYS 63 HE2 LYS 63 -2.808 -1.446 16.382 451 2HE LYS 63 HE1 LYS 63 -2.074 -0.007 15.675 452 1HZ LYS 63 HZ1 LYS 63 -4.933 -0.359 16.398 453 2HZ LYS 63 HZ2 LYS 63 -4.303 1.000 15.597 454 3HZ LYS 63 HZ3 LYS 63 -3.806 0.640 17.179 455 H LYS 64 HN LYS 64 0.703 -3.746 13.172 456 HA LYS 64 HA LYS 64 2.100 -1.321 12.402 457 1HB LYS 64 HB2 LYS 64 3.087 -3.561 14.179 458 2HB LYS 64 HB1 LYS 64 3.739 -1.934 14.065 459 1HG LYS 64 HG2 LYS 64 1.514 -1.109 14.918 460 2HG LYS 64 HG1 LYS 64 1.118 -2.795 15.258 461 1HD LYS 64 HD2 LYS 64 3.413 -1.203 16.399 462 2HD LYS 64 HD1 LYS 64 1.975 -1.751 17.259 463 1HE LYS 64 HE2 LYS 64 2.638 -4.060 16.974 464 2HE LYS 64 HE1 LYS 64 4.017 -3.571 15.989 465 1HZ LYS 64 HZ1 LYS 64 4.748 -4.041 18.206 466 2HZ LYS 64 HZ2 LYS 64 3.599 -2.986 18.872 467 3HZ LYS 64 HZ3 LYS 64 4.880 -2.370 17.943 468 H ARG 65 HN ARG 65 1.849 -4.510 11.324 469 HA ARG 65 HA ARG 65 4.515 -4.408 10.078 470 1HB ARG 65 HB2 ARG 65 4.158 -6.300 11.627 471 2HB ARG 65 HB1 ARG 65 2.791 -6.828 10.657 472 1HG ARG 65 HG2 ARG 65 4.151 -7.500 8.888 473 2HG ARG 65 HG1 ARG 65 5.525 -6.552 9.462 474 1HD ARG 65 HD2 ARG 65 4.367 -8.948 10.877 475 2HD ARG 65 HD1 ARG 65 5.785 -8.986 9.829 476 HE ARG 65 HE ARG 65 5.821 -7.164 12.121 477 1HH1 ARG 65 HH11 ARG 65 6.944 -10.140 10.640 478 2HH1 ARG 65 HH12 ARG 65 8.268 -10.335 11.755 479 1HH2 ARG 65 HH21 ARG 65 7.557 -7.414 13.561 480 2HH2 ARG 65 HH22 ARG 65 8.628 -8.775 13.408 481 H VAL 66 HN VAL 66 1.263 -4.032 9.455 482 HA VAL 66 HA VAL 66 0.989 -5.126 6.881 483 HB VAL 66 HB VAL 66 -0.288 -2.592 7.944 484 1HG1 VAL 66 HG11 VAL 66 -0.422 -2.746 5.520 485 2HG1 VAL 66 HG12 VAL 66 -2.006 -3.003 6.249 486 3HG1 VAL 66 HG13 VAL 66 -1.081 -4.378 5.645 487 1HG2 VAL 66 HG21 VAL 66 -0.779 -4.502 9.364 488 2HG2 VAL 66 HG22 VAL 66 -1.296 -5.431 7.957 489 3HG2 VAL 66 HG23 VAL 66 -2.210 -4.009 8.461 490 H ASN 67 HN ASN 67 2.040 -4.651 5.079 491 HA ASN 67 HA ASN 67 3.755 -2.291 5.064 492 1HB ASN 67 HB2 ASN 67 4.684 -4.555 4.525 493 2HB ASN 67 HB1 ASN 67 3.673 -4.578 3.084 494 1HD2 ASN 67 HD21 ASN 67 4.162 -3.178 1.376 495 2HD2 ASN 67 HD22 ASN 67 5.708 -2.418 1.239 496 H PHE 68 HN PHE 68 2.540 -0.572 4.492 497 HA PHE 68 HA PHE 68 0.600 -0.648 2.391 498 1HB PHE 68 HB2 PHE 68 1.918 1.865 3.407 499 2HB PHE 68 HB1 PHE 68 0.282 1.659 2.795 500 HD1 PHE 68 HD2 PHE 68 -1.069 -0.229 4.287 501 HD2 PHE 68 HD1 PHE 68 2.080 2.304 5.628 502 HE1 PHE 68 HE2 PHE 68 -1.881 -0.448 6.595 503 HE2 PHE 68 HE1 PHE 68 1.274 2.081 7.942 504 HZ PHE 68 HZ PHE 68 -0.711 0.708 8.427 505 H VAL 69 HN VAL 69 1.309 -1.078 0.371 506 HA VAL 69 HA VAL 69 3.844 0.170 -0.473 507 HB VAL 69 HB VAL 69 3.992 -2.287 -0.178 508 1HG1 VAL 69 HG11 VAL 69 1.705 -2.885 -0.766 509 2HG1 VAL 69 HG12 VAL 69 2.869 -3.782 -1.742 510 3HG1 VAL 69 HG13 VAL 69 2.002 -2.412 -2.439 511 1HG2 VAL 69 HG21 VAL 69 5.037 -2.778 -2.339 512 2HG2 VAL 69 HG22 VAL 69 5.475 -1.175 -1.745 513 3HG2 VAL 69 HG23 VAL 69 4.276 -1.344 -3.027 514 H ILE 70 HN ILE 70 4.016 0.967 -2.548 515 HA ILE 70 HA ILE 70 1.711 1.999 -3.802 516 HB ILE 70 HB ILE 70 4.448 1.620 -5.039 517 1HG1 ILE 70 HG12 ILE 70 3.406 4.003 -3.490 518 2HG1 ILE 70 HG11 ILE 70 4.515 2.802 -2.837 519 1HG2 ILE 70 HG21 ILE 70 3.822 3.537 -6.427 520 2HG2 ILE 70 HG22 ILE 70 2.239 3.584 -5.650 521 3HG2 ILE 70 HG23 ILE 70 2.697 2.195 -6.637 522 1HD1 ILE 70 HD11 ILE 70 5.060 4.617 -5.173 523 2HD1 ILE 70 HD12 ILE 70 6.172 3.418 -4.513 524 3HD1 ILE 70 HD13 ILE 70 5.689 4.805 -3.536 525 H SER 71 HN SER 71 0.374 1.092 -5.261 526 HA SER 71 HA SER 71 1.149 -1.524 -6.363 527 1HB SER 71 HB2 SER 71 -1.641 -0.449 -5.890 528 2HB SER 71 HB1 SER 71 -1.217 -2.082 -6.405 529 HG SER 71 HG SER 71 0.014 -1.210 -4.084 530 H ASP 72 HN ASP 72 0.055 -2.047 -8.489 531 HA ASP 72 HA ASP 72 0.732 -0.064 -10.405 532 1HB ASP 72 HB2 ASP 72 -0.742 -2.686 -10.701 533 2HB ASP 72 HB1 ASP 72 -0.307 -1.657 -12.059 534 H GLN 73 HN GLN 73 -0.402 1.720 -10.589 535 HA GLN 73 HA GLN 73 -3.348 1.556 -10.595 536 1HB GLN 73 HB2 GLN 73 -1.540 3.798 -9.666 537 2HB GLN 73 HB1 GLN 73 -3.286 3.930 -9.805 538 1HG GLN 73 HG2 GLN 73 -1.950 1.872 -8.078 539 2HG GLN 73 HG1 GLN 73 -2.358 3.488 -7.502 540 1HE2 GLN 73 HE21 GLN 73 -4.496 4.048 -7.221 541 2HE2 GLN 73 HE22 GLN 73 -5.774 2.878 -7.184 542 H LEU 74 HN LEU 74 -0.532 2.442 -12.325 543 HA LEU 74 HA LEU 74 -1.813 4.500 -13.905 544 1HB LEU 74 HB2 LEU 74 0.543 4.694 -13.250 545 2HB LEU 74 HB1 LEU 74 0.916 3.244 -14.162 546 HG LEU 74 HG LEU 74 0.220 4.425 -16.243 547 1HD1 LEU 74 HD11 LEU 74 -0.025 6.852 -16.192 548 2HD1 LEU 74 HD12 LEU 74 0.087 6.832 -14.431 549 3HD1 LEU 74 HD13 LEU 74 -1.280 6.062 -15.238 550 1HD2 LEU 74 HD21 LEU 74 2.217 5.835 -16.389 551 2HD2 LEU 74 HD22 LEU 74 2.568 4.293 -15.606 552 3HD2 LEU 74 HD23 LEU 74 2.399 5.756 -14.636 553 H GLU 75 HN GLU 75 -3.028 4.101 -15.579 554 HA GLU 75 HA GLU 75 -3.711 3.442 -17.612 555 1HB GLU 75 HB2 GLU 75 -0.916 2.373 -17.703 556 2HB GLU 75 HB1 GLU 75 -2.033 2.131 -19.041 557 1HG GLU 75 HG2 GLU 75 -1.079 4.752 -17.920 558 2HG GLU 75 HG1 GLU 75 -0.692 4.052 -19.493 559 H HIS 76 HN HIS 76 -2.884 1.052 -15.327 560 HA HIS 76 HA HIS 76 -3.703 -1.172 -16.945 561 1HB HIS 76 HB2 HIS 76 -2.835 -0.874 -14.097 562 2HB HIS 76 HB1 HIS 76 -3.568 -2.377 -14.650 563 HD1 HIS 76 HD1 HIS 76 -0.543 -0.194 -15.248 564 HD2 HIS 76 HD2 HIS 76 -1.943 -3.996 -16.178 565 HE1 HIS 76 HE1 HIS 76 1.407 -1.403 -16.264 566 HE2 HIS 76 HE2 HIS 76 0.459 -3.606 -17.049 567 H HIS 77 HN HIS 77 -5.511 1.198 -15.802 568 HA HIS 77 HA HIS 77 -7.760 -0.428 -14.956 569 1HB HIS 77 HB2 HIS 77 -7.326 1.960 -14.149 570 2HB HIS 77 HB1 HIS 77 -7.848 2.489 -15.743 571 HD1 HIS 77 HD1 HIS 77 -9.142 0.930 -12.575 572 HD2 HIS 77 HD2 HIS 77 -10.599 2.406 -16.183 573 HE1 HIS 77 HE1 HIS 77 -11.636 1.060 -12.299 574 HE2 HIS 77 HE2 HIS 77 -12.505 1.734 -14.567 575 H HIS 78 HN HIS 78 -6.241 0.376 -17.815 576 HA HIS 78 HA HIS 78 -8.574 0.165 -19.518 577 1HB HIS 78 HB2 HIS 78 -5.606 0.108 -20.123 578 2HB HIS 78 HB1 HIS 78 -6.854 -0.038 -21.355 579 HD1 HIS 78 HD1 HIS 78 -7.474 2.099 -22.445 580 HD2 HIS 78 HD2 HIS 78 -5.905 2.701 -18.639 581 HE1 HIS 78 HE1 HIS 78 -7.354 4.593 -22.145 582 HE2 HIS 78 HE2 HIS 78 -6.301 4.935 -19.876 583 H HIS 79 HN HIS 79 -8.993 -1.695 -20.880 584 HA HIS 79 HA HIS 79 -7.711 -4.168 -20.130 585 1HB HIS 79 HB2 HIS 79 -9.893 -5.211 -19.363 586 2HB HIS 79 HB1 HIS 79 -9.136 -4.088 -18.243 587 HD1 HIS 79 HD1 HIS 79 -12.347 -4.919 -19.514 588 HD2 HIS 79 HD2 HIS 79 -10.411 -1.353 -18.593 589 HE1 HIS 79 HE1 HIS 79 -14.168 -3.211 -19.217 590 HE2 HIS 79 HE2 HIS 79 -12.977 -1.106 -18.489 591 H HIS 80 HN HIS 80 -7.711 -5.530 -21.714 592 HA HIS 80 HA HIS 80 -9.926 -5.813 -23.539 593 1HB HIS 80 HB2 HIS 80 -8.719 -4.014 -24.662 594 2HB HIS 80 HB1 HIS 80 -7.213 -4.918 -24.553 595 HD1 HIS 80 HD1 HIS 80 -10.664 -5.400 -26.106 596 HD2 HIS 80 HD2 HIS 80 -6.667 -6.312 -26.811 597 HE1 HIS 80 HE1 HIS 80 -10.611 -6.550 -28.344 598 HE2 HIS 80 HE2 HIS 80 -8.184 -7.113 -28.748 599 H HIS 81 HN HIS 81 -6.596 -6.639 -22.712 600 HA HIS 81 HA HIS 81 -7.355 -9.453 -23.044 601 1HB HIS 81 HB2 HIS 81 -4.909 -9.953 -23.387 602 2HB HIS 81 HB1 HIS 81 -5.676 -9.080 -24.702 603 HD1 HIS 81 HD1 HIS 81 -3.159 -8.625 -21.931 604 HD2 HIS 81 HD2 HIS 81 -4.606 -6.581 -25.247 605 HE1 HIS 81 HE1 HIS 81 -1.557 -6.725 -22.306 606 HE2 HIS 81 HE2 HIS 81 -2.353 -5.617 -24.427 Start of MODEL 12 1 1H MET 1 HT1 MET 1 12.060 -1.168 4.807 2 2H MET 1 HT2 MET 1 12.161 0.405 4.183 3 3H MET 1 HT3 MET 1 10.868 -0.599 3.743 4 HA MET 1 HA MET 1 9.940 -0.550 5.881 5 1HB MET 1 HB2 MET 1 10.972 0.668 7.740 6 2HB MET 1 HB1 MET 1 12.021 -0.620 7.168 7 1HG MET 1 HG2 MET 1 13.356 1.023 5.941 8 2HG MET 1 HG1 MET 1 12.309 2.309 6.535 9 1HE MET 1 HE1 MET 1 11.743 1.350 9.517 10 2HE MET 1 HE2 MET 1 12.146 3.017 9.108 11 3HE MET 1 HE3 MET 1 13.019 2.191 10.398 12 H GLU 2 HN GLU 2 11.641 2.091 4.267 13 HA GLU 2 HA GLU 2 9.231 3.751 4.615 14 1HB GLU 2 HB2 GLU 2 11.166 4.652 5.843 15 2HB GLU 2 HB1 GLU 2 12.111 4.642 4.360 16 1HG GLU 2 HG2 GLU 2 10.644 6.304 3.383 17 2HG GLU 2 HG1 GLU 2 9.633 6.286 4.828 18 H ILE 3 HN ILE 3 8.235 4.339 2.787 19 HA ILE 3 HA ILE 3 9.289 3.397 0.292 20 HB ILE 3 HB ILE 3 7.095 4.765 -0.488 21 1HG1 ILE 3 HG12 ILE 3 5.336 4.193 1.272 22 2HG1 ILE 3 HG11 ILE 3 6.666 4.023 2.410 23 1HG2 ILE 3 HG21 ILE 3 5.918 2.617 -0.363 24 2HG2 ILE 3 HG22 ILE 3 7.175 2.004 0.713 25 3HG2 ILE 3 HG23 ILE 3 7.572 2.440 -0.950 26 1HD1 ILE 3 HD11 ILE 3 7.280 6.355 2.030 27 2HD1 ILE 3 HD12 ILE 3 5.617 6.196 2.599 28 3HD1 ILE 3 HD13 ILE 3 5.940 6.518 0.896 29 H THR 4 HN THR 4 10.351 4.452 -1.190 30 HA THR 4 HA THR 4 10.570 7.384 -0.954 31 HB THR 4 HB THR 4 12.740 6.910 -2.359 32 HG1 THR 4 HG1 THR 4 11.919 4.432 -1.809 33 1HG2 THR 4 HG21 THR 4 12.667 6.289 0.593 34 2HG2 THR 4 HG22 THR 4 12.701 7.907 -0.111 35 3HG2 THR 4 HG23 THR 4 14.071 6.820 -0.339 36 H CYS 5 HN CYS 5 10.680 8.593 -2.912 37 HA CYS 5 HA CYS 5 9.275 7.473 -5.153 38 1HB CYS 5 HB2 CYS 5 9.111 9.882 -4.525 39 2HB CYS 5 HB1 CYS 5 10.809 10.079 -4.942 40 HA PRO 6 HA PRO 6 12.979 5.365 -6.438 41 1HB PRO 6 HB2 PRO 6 12.006 4.555 -8.891 42 2HB PRO 6 HB1 PRO 6 11.722 3.712 -7.367 43 1HG PRO 6 HG2 PRO 6 9.956 5.627 -8.831 44 2HG PRO 6 HG1 PRO 6 9.528 4.131 -7.981 45 1HD PRO 6 HD2 PRO 6 9.100 6.539 -6.881 46 2HD PRO 6 HD1 PRO 6 9.603 5.147 -5.898 47 H VAL 7 HN VAL 7 11.406 7.868 -8.287 48 HA VAL 7 HA VAL 7 13.670 8.069 -10.110 49 HB VAL 7 HB VAL 7 11.309 8.174 -10.941 50 1HG1 VAL 7 HG11 VAL 7 10.074 10.272 -10.708 51 2HG1 VAL 7 HG12 VAL 7 11.307 10.868 -9.596 52 3HG1 VAL 7 HG13 VAL 7 10.320 9.475 -9.154 53 1HG2 VAL 7 HG21 VAL 7 13.048 10.566 -11.512 54 2HG2 VAL 7 HG22 VAL 7 11.697 10.024 -12.509 55 3HG2 VAL 7 HG23 VAL 7 13.117 8.997 -12.314 56 H CYS 8 HN CYS 8 12.841 9.305 -7.112 57 HA CYS 8 HA CYS 8 14.485 11.705 -7.594 58 1HB CYS 8 HB2 CYS 8 12.025 11.426 -5.884 59 2HB CYS 8 HB1 CYS 8 13.158 12.760 -5.699 60 H HIS 9 HN HIS 9 14.061 8.876 -5.717 61 HA HIS 9 HA HIS 9 15.242 7.955 -4.002 62 1HB HIS 9 HB2 HIS 9 17.212 8.546 -5.297 63 2HB HIS 9 HB1 HIS 9 17.182 10.184 -4.669 64 HD1 HIS 9 HD1 HIS 9 19.052 10.496 -3.115 65 HD2 HIS 9 HD2 HIS 9 17.423 6.680 -2.804 66 HE1 HIS 9 HE1 HIS 9 20.338 9.354 -1.278 67 HE2 HIS 9 HE2 HIS 9 19.238 7.106 -1.009 68 H HIS 10 HN HIS 10 13.466 10.475 -3.762 69 HA HIS 10 HA HIS 10 14.272 11.347 -1.086 70 1HB HIS 10 HB2 HIS 10 12.524 12.525 -3.215 71 2HB HIS 10 HB1 HIS 10 12.259 12.982 -1.536 72 HD1 HIS 10 HD1 HIS 10 15.197 12.872 -3.986 73 HD2 HIS 10 HD2 HIS 10 13.759 15.084 -0.768 74 HE1 HIS 10 HE1 HIS 10 16.787 14.807 -3.725 75 HE2 HIS 10 HE2 HIS 10 15.913 16.123 -1.753 76 H ALA 11 HN ALA 11 12.749 11.339 0.624 77 HA ALA 11 HA ALA 11 11.242 8.913 0.683 78 1HB ALA 11 HB1 ALA 11 11.397 11.121 2.730 79 2HB ALA 11 HB2 ALA 11 12.477 9.731 2.637 80 3HB ALA 11 HB3 ALA 11 10.766 9.496 2.996 81 H LEU 12 HN LEU 12 9.120 8.590 0.497 82 HA LEU 12 HA LEU 12 7.424 10.797 -0.310 83 1HB LEU 12 HB2 LEU 12 6.777 7.874 0.108 84 2HB LEU 12 HB1 LEU 12 5.719 9.059 -0.628 85 HG LEU 12 HG LEU 12 8.378 8.227 -1.783 86 1HD1 LEU 12 HD11 LEU 12 5.588 7.360 -2.530 87 2HD1 LEU 12 HD12 LEU 12 6.808 6.355 -1.748 88 3HD1 LEU 12 HD13 LEU 12 7.069 6.942 -3.391 89 1HD2 LEU 12 HD21 LEU 12 7.679 10.446 -2.459 90 2HD2 LEU 12 HD22 LEU 12 6.084 9.834 -2.895 91 3HD2 LEU 12 HD23 LEU 12 7.504 9.317 -3.804 92 H GLU 13 HN GLU 13 6.421 12.014 1.216 93 HA GLU 13 HA GLU 13 6.168 11.091 3.903 94 1HB GLU 13 HB2 GLU 13 6.351 13.488 3.485 95 2HB GLU 13 HB1 GLU 13 4.853 13.459 2.556 96 1HG GLU 13 HG2 GLU 13 3.586 12.879 4.512 97 2HG GLU 13 HG1 GLU 13 5.056 12.717 5.466 98 H ARG 14 HN ARG 14 4.746 9.724 4.636 99 HA ARG 14 HA ARG 14 2.440 9.012 3.048 100 1HB ARG 14 HB2 ARG 14 3.835 7.325 4.278 101 2HB ARG 14 HB1 ARG 14 3.239 8.007 5.786 102 1HG ARG 14 HG2 ARG 14 0.905 7.498 4.892 103 2HG ARG 14 HG1 ARG 14 1.719 6.505 3.683 104 1HD ARG 14 HD2 ARG 14 1.033 5.138 5.559 105 2HD ARG 14 HD1 ARG 14 2.795 5.228 5.491 106 HE ARG 14 HE ARG 14 2.661 6.884 7.303 107 1HH1 ARG 14 HH11 ARG 14 -0.128 4.818 6.758 108 2HH1 ARG 14 HH12 ARG 14 -0.724 4.998 8.378 109 1HH2 ARG 14 HH21 ARG 14 1.879 7.113 9.412 110 2HH2 ARG 14 HH22 ARG 14 0.407 6.305 9.884 111 H ASN 15 HN ASN 15 0.707 10.292 3.146 112 HA ASN 15 HA ASN 15 0.072 11.850 5.491 113 1HB ASN 15 HB2 ASN 15 -1.579 11.339 2.998 114 2HB ASN 15 HB1 ASN 15 -1.932 12.542 4.234 115 1HD2 ASN 15 HD21 ASN 15 0.035 11.716 1.513 116 2HD2 ASN 15 HD22 ASN 15 0.786 13.261 1.325 117 H GLY 16 HN GLY 16 -0.377 8.710 4.493 118 1HA GLY 16 HA2 GLY 16 -1.354 7.379 6.458 119 2HA GLY 16 HA1 GLY 16 -2.804 8.311 6.094 120 H ASP 17 HN ASP 17 -3.686 8.125 3.932 121 HA ASP 17 HA ASP 17 -3.633 5.361 3.033 122 1HB ASP 17 HB2 ASP 17 -5.302 7.581 1.855 123 2HB ASP 17 HB1 ASP 17 -5.651 5.857 1.905 124 H THR 18 HN THR 18 -2.121 8.259 2.250 125 HA THR 18 HA THR 18 -1.398 7.295 -0.424 126 HB THR 18 HB THR 18 -2.230 10.148 0.153 127 HG1 THR 18 HG1 THR 18 -3.700 7.922 -0.438 128 1HG2 THR 18 HG21 THR 18 -2.204 10.388 -2.291 129 2HG2 THR 18 HG22 THR 18 -1.633 8.727 -2.447 130 3HG2 THR 18 HG23 THR 18 -0.615 9.939 -1.673 131 H ALA 19 HN ALA 19 0.651 7.889 -1.120 132 HA ALA 19 HA ALA 19 2.360 9.237 0.876 133 1HB ALA 19 HB1 ALA 19 4.239 8.026 -0.127 134 2HB ALA 19 HB2 ALA 19 3.139 7.269 -1.280 135 3HB ALA 19 HB3 ALA 19 2.995 6.911 0.442 136 H HIS 20 HN HIS 20 3.731 10.904 0.165 137 HA HIS 20 HA HIS 20 3.026 11.955 -2.497 138 1HB HIS 20 HB2 HIS 20 1.648 13.025 -0.801 139 2HB HIS 20 HB1 HIS 20 3.075 13.432 0.139 140 HD1 HIS 20 HD1 HIS 20 1.083 14.487 -2.832 141 HD2 HIS 20 HD2 HIS 20 4.516 15.645 -0.782 142 HE1 HIS 20 HE1 HIS 20 1.649 16.795 -3.681 143 HE2 HIS 20 HE2 HIS 20 3.619 17.535 -2.286 144 H CYS 21 HN CYS 21 4.704 12.566 -3.700 145 HA CYS 21 HA CYS 21 7.325 12.959 -2.440 146 1HB CYS 21 HB2 CYS 21 7.263 11.439 -4.366 147 2HB CYS 21 HB1 CYS 21 6.548 12.701 -5.361 148 H GLU 22 HN GLU 22 8.114 14.961 -2.122 149 HA GLU 22 HA GLU 22 6.568 17.238 -2.939 150 1HB GLU 22 HB2 GLU 22 9.101 16.898 -1.356 151 2HB GLU 22 HB1 GLU 22 8.514 18.492 -1.819 152 1HG GLU 22 HG2 GLU 22 6.911 16.480 -0.257 153 2HG GLU 22 HG1 GLU 22 7.848 17.790 0.463 154 H THR 23 HN THR 23 9.450 15.643 -4.048 155 HA THR 23 HA THR 23 10.187 17.825 -5.798 156 HB THR 23 HB THR 23 11.838 16.005 -6.660 157 HG1 THR 23 HG1 THR 23 10.574 14.326 -5.441 158 1HG2 THR 23 HG21 THR 23 11.992 17.077 -3.840 159 2HG2 THR 23 HG22 THR 23 12.492 17.924 -5.304 160 3HG2 THR 23 HG23 THR 23 13.355 16.475 -4.786 161 H CYS 24 HN CYS 24 7.605 16.206 -6.008 162 HA CYS 24 HA CYS 24 7.656 15.951 -8.910 163 1HB CYS 24 HB2 CYS 24 7.071 13.715 -7.011 164 2HB CYS 24 HB1 CYS 24 6.226 13.784 -8.550 165 H ALA 25 HN ALA 25 5.817 16.070 -5.919 166 HA ALA 25 HA ALA 25 3.741 16.786 -5.385 167 1HB ALA 25 HB1 ALA 25 4.125 18.719 -6.832 168 2HB ALA 25 HB2 ALA 25 2.448 18.177 -6.922 169 3HB ALA 25 HB3 ALA 25 3.571 17.791 -8.226 170 H LYS 26 HN LYS 26 4.475 14.222 -6.860 171 HA LYS 26 HA LYS 26 1.881 13.404 -7.898 172 1HB LYS 26 HB2 LYS 26 4.480 11.877 -7.621 173 2HB LYS 26 HB1 LYS 26 3.015 11.238 -8.349 174 1HG LYS 26 HG2 LYS 26 3.133 12.965 -10.082 175 2HG LYS 26 HG1 LYS 26 4.623 13.571 -9.361 176 1HD LYS 26 HD2 LYS 26 4.158 10.872 -10.623 177 2HD LYS 26 HD1 LYS 26 5.207 12.162 -11.211 178 1HE LYS 26 HE2 LYS 26 6.582 11.907 -9.161 179 2HE LYS 26 HE1 LYS 26 5.572 10.540 -8.692 180 1HZ LYS 26 HZ1 LYS 26 7.425 9.606 -9.737 181 2HZ LYS 26 HZ2 LYS 26 7.428 10.750 -10.987 182 3HZ LYS 26 HZ3 LYS 26 6.219 9.563 -10.930 183 H ASP 27 HN ASP 27 0.591 11.879 -6.944 184 HA ASP 27 HA ASP 27 1.255 11.202 -4.154 185 1HB ASP 27 HB2 ASP 27 -1.472 11.607 -5.409 186 2HB ASP 27 HB1 ASP 27 -1.188 11.104 -3.747 187 H PHE 28 HN PHE 28 1.320 9.120 -3.614 188 HA PHE 28 HA PHE 28 0.590 7.163 -5.695 189 1HB PHE 28 HB2 PHE 28 2.714 7.000 -3.549 190 2HB PHE 28 HB1 PHE 28 2.311 5.699 -4.665 191 HD1 PHE 28 HD2 PHE 28 2.837 5.905 -7.049 192 HD2 PHE 28 HD1 PHE 28 4.039 8.864 -4.235 193 HE1 PHE 28 HE2 PHE 28 4.445 6.800 -8.680 194 HE2 PHE 28 HE1 PHE 28 5.648 9.762 -5.864 195 HZ PHE 28 HZ PHE 28 5.854 8.729 -8.088 196 H SER 29 HN SER 29 -0.738 5.508 -5.197 197 HA SER 29 HA SER 29 -2.104 5.549 -2.663 198 1HB SER 29 HB2 SER 29 -3.271 3.505 -3.788 199 2HB SER 29 HB1 SER 29 -3.547 5.116 -4.451 200 HG SER 29 HG SER 29 -1.910 3.035 -5.446 201 H LEU 30 HN LEU 30 -1.908 4.111 -1.009 202 HA LEU 30 HA LEU 30 0.261 2.139 -1.265 203 1HB LEU 30 HB2 LEU 30 -0.753 3.585 1.183 204 2HB LEU 30 HB1 LEU 30 0.479 2.337 1.199 205 HG LEU 30 HG LEU 30 0.717 5.012 -0.185 206 1HD1 LEU 30 HD11 LEU 30 0.749 5.232 2.232 207 2HD1 LEU 30 HD12 LEU 30 2.357 5.510 1.563 208 3HD1 LEU 30 HD13 LEU 30 1.981 3.976 2.347 209 1HD2 LEU 30 HD21 LEU 30 3.059 4.384 -0.510 210 2HD2 LEU 30 HD22 LEU 30 1.973 3.260 -1.327 211 3HD2 LEU 30 HD23 LEU 30 2.735 2.800 0.196 212 H GLN 31 HN GLN 31 -0.159 0.063 -0.929 213 HA GLN 31 HA GLN 31 -2.805 -0.664 0.138 214 1HB GLN 31 HB2 GLN 31 -1.039 -1.968 -1.912 215 2HB GLN 31 HB1 GLN 31 -2.223 -2.918 -1.028 216 1HG GLN 31 HG2 GLN 31 -3.182 -2.296 -3.104 217 2HG GLN 31 HG1 GLN 31 -3.984 -1.368 -1.842 218 1HE2 GLN 31 HE21 GLN 31 -4.667 0.203 -3.256 219 2HE2 GLN 31 HE22 GLN 31 -3.590 1.343 -3.981 220 H ALA 32 HN ALA 32 -2.928 -1.948 1.886 221 HA ALA 32 HA ALA 32 -0.486 -2.713 3.240 222 1HB ALA 32 HB1 ALA 32 -2.416 -1.771 4.494 223 2HB ALA 32 HB2 ALA 32 -1.914 -3.355 5.084 224 3HB ALA 32 HB3 ALA 32 -3.350 -3.206 4.074 225 H LEU 33 HN LEU 33 0.496 -4.553 2.726 226 HA LEU 33 HA LEU 33 -1.116 -6.739 1.594 227 1HB LEU 33 HB2 LEU 33 1.435 -5.530 0.869 228 2HB LEU 33 HB1 LEU 33 1.531 -7.273 0.997 229 HG LEU 33 HG LEU 33 -0.162 -7.562 -0.688 230 1HD1 LEU 33 HD11 LEU 33 -1.179 -5.686 -1.852 231 2HD1 LEU 33 HD12 LEU 33 -0.377 -4.557 -0.757 232 3HD1 LEU 33 HD13 LEU 33 -1.597 -5.674 -0.139 233 1HD2 LEU 33 HD21 LEU 33 2.111 -7.254 -1.466 234 2HD2 LEU 33 HD22 LEU 33 1.882 -5.508 -1.506 235 3HD2 LEU 33 HD23 LEU 33 0.973 -6.540 -2.607 236 H CYS 34 HN CYS 34 -0.824 -8.827 2.277 237 HA CYS 34 HA CYS 34 0.629 -9.217 4.785 238 1HB CYS 34 HB2 CYS 34 -1.423 -10.865 3.308 239 2HB CYS 34 HB1 CYS 34 -0.497 -11.522 4.648 240 HA PRO 35 HA PRO 35 3.982 -11.378 2.835 241 1HB PRO 35 HB2 PRO 35 3.984 -13.240 5.121 242 2HB PRO 35 HB1 PRO 35 5.241 -12.122 4.583 243 1HG PRO 35 HG2 PRO 35 3.820 -11.676 6.818 244 2HG PRO 35 HG1 PRO 35 4.357 -10.349 5.771 245 1HD PRO 35 HD2 PRO 35 1.656 -11.620 5.986 246 2HD PRO 35 HD1 PRO 35 2.083 -9.906 5.804 247 H ASP 36 HN ASP 36 1.201 -13.118 4.046 248 HA ASP 36 HA ASP 36 1.885 -15.550 2.612 249 1HB ASP 36 HB2 ASP 36 0.105 -16.573 3.736 250 2HB ASP 36 HB1 ASP 36 0.686 -15.397 4.908 251 H CYS 37 HN CYS 37 -0.132 -12.756 2.252 252 HA CYS 37 HA CYS 37 -0.884 -13.620 -0.419 253 1HB CYS 37 HB2 CYS 37 -3.266 -12.836 0.029 254 2HB CYS 37 HB1 CYS 37 -2.811 -14.379 0.734 255 H ARG 38 HN ARG 38 0.169 -12.041 -1.472 256 HA ARG 38 HA ARG 38 0.008 -9.316 -0.478 257 1HB ARG 38 HB2 ARG 38 1.567 -8.838 -2.417 258 2HB ARG 38 HB1 ARG 38 2.189 -9.881 -1.149 259 1HG ARG 38 HG2 ARG 38 1.569 -11.831 -2.595 260 2HG ARG 38 HG1 ARG 38 1.233 -10.667 -3.879 261 1HD ARG 38 HD2 ARG 38 3.421 -10.208 -4.221 262 2HD ARG 38 HD1 ARG 38 3.831 -10.375 -2.515 263 HE ARG 38 HE ARG 38 3.416 -12.665 -4.339 264 1HH1 ARG 38 HH11 ARG 38 5.081 -11.084 -1.689 265 2HH1 ARG 38 HH12 ARG 38 6.115 -12.442 -1.354 266 1HH2 ARG 38 HH21 ARG 38 4.789 -14.460 -3.904 267 2HH2 ARG 38 HH22 ARG 38 5.946 -14.364 -2.611 268 H GLN 39 HN GLN 39 -2.401 -10.188 -1.138 269 HA GLN 39 HA GLN 39 -3.074 -8.813 -3.645 270 1HB GLN 39 HB2 GLN 39 -4.708 -10.644 -1.862 271 2HB GLN 39 HB1 GLN 39 -5.369 -9.785 -3.242 272 1HG GLN 39 HG2 GLN 39 -4.956 -11.756 -4.253 273 2HG GLN 39 HG1 GLN 39 -3.367 -11.028 -4.471 274 1HE2 GLN 39 HE21 GLN 39 -5.226 -13.390 -2.733 275 2HE2 GLN 39 HE22 GLN 39 -3.883 -14.271 -2.093 276 HA PRO 40 HA PRO 40 -4.934 -5.382 -1.416 277 1HB PRO 40 HB2 PRO 40 -7.663 -6.010 -2.375 278 2HB PRO 40 HB1 PRO 40 -6.701 -4.548 -2.598 279 1HG PRO 40 HG2 PRO 40 -7.108 -6.237 -4.618 280 2HG PRO 40 HG1 PRO 40 -5.543 -5.427 -4.405 281 1HD PRO 40 HD2 PRO 40 -6.336 -8.234 -3.711 282 2HD PRO 40 HD1 PRO 40 -4.839 -7.640 -4.461 283 H LEU 41 HN LEU 41 -5.520 -8.424 -0.519 284 HA LEU 41 HA LEU 41 -6.388 -9.493 1.270 285 1HB LEU 41 HB2 LEU 41 -6.164 -6.746 2.509 286 2HB LEU 41 HB1 LEU 41 -6.335 -8.251 3.397 287 HG LEU 41 HG LEU 41 -3.981 -7.336 1.751 288 1HD1 LEU 41 HD11 LEU 41 -4.128 -6.368 3.969 289 2HD1 LEU 41 HD12 LEU 41 -2.791 -7.513 3.878 290 3HD1 LEU 41 HD13 LEU 41 -4.294 -7.974 4.679 291 1HD2 LEU 41 HD21 LEU 41 -4.421 -10.005 3.082 292 2HD2 LEU 41 HD22 LEU 41 -2.901 -9.443 2.386 293 3HD2 LEU 41 HD23 LEU 41 -4.303 -9.704 1.347 294 H GLN 42 HN GLN 42 -8.002 -6.843 2.720 295 HA GLN 42 HA GLN 42 -10.442 -7.191 1.206 296 1HB GLN 42 HB2 GLN 42 -10.528 -8.856 3.088 297 2HB GLN 42 HB1 GLN 42 -10.401 -7.513 4.217 298 1HG GLN 42 HG2 GLN 42 -12.494 -6.600 3.398 299 2HG GLN 42 HG1 GLN 42 -12.618 -7.907 2.221 300 1HE2 GLN 42 HE21 GLN 42 -14.417 -7.134 4.370 301 2HE2 GLN 42 HE22 GLN 42 -14.597 -8.533 5.385 302 H VAL 43 HN VAL 43 -10.769 -5.156 0.612 303 HA VAL 43 HA VAL 43 -9.564 -3.000 2.021 304 HB VAL 43 HB VAL 43 -9.651 -2.861 -0.360 305 1HG1 VAL 43 HG11 VAL 43 -11.748 -2.661 -1.608 306 2HG1 VAL 43 HG12 VAL 43 -12.651 -2.947 -0.120 307 3HG1 VAL 43 HG13 VAL 43 -11.616 -4.212 -0.780 308 1HG2 VAL 43 HG21 VAL 43 -9.763 -0.737 0.814 309 2HG2 VAL 43 HG22 VAL 43 -11.524 -0.829 0.849 310 3HG2 VAL 43 HG23 VAL 43 -10.681 -0.660 -0.691 311 H LEU 44 HN LEU 44 -10.288 -1.957 3.650 312 HA LEU 44 HA LEU 44 -13.187 -1.755 4.156 313 1HB LEU 44 HB2 LEU 44 -10.943 -1.383 6.147 314 2HB LEU 44 HB1 LEU 44 -12.654 -1.544 6.490 315 HG LEU 44 HG LEU 44 -10.949 -3.766 5.347 316 1HD1 LEU 44 HD11 LEU 44 -10.987 -4.720 7.586 317 2HD1 LEU 44 HD12 LEU 44 -11.852 -3.306 8.190 318 3HD1 LEU 44 HD13 LEU 44 -10.201 -3.143 7.593 319 1HD2 LEU 44 HD21 LEU 44 -13.321 -3.949 4.836 320 2HD2 LEU 44 HD22 LEU 44 -13.717 -3.741 6.542 321 3HD2 LEU 44 HD23 LEU 44 -12.835 -5.173 6.008 322 H LYS 45 HN LYS 45 -14.019 0.347 4.551 323 HA LYS 45 HA LYS 45 -12.038 2.505 4.631 324 1HB LYS 45 HB2 LYS 45 -13.359 3.907 3.138 325 2HB LYS 45 HB1 LYS 45 -12.853 2.431 2.333 326 1HG LYS 45 HG2 LYS 45 -15.077 1.493 2.630 327 2HG LYS 45 HG1 LYS 45 -15.590 2.957 3.469 328 1HD LYS 45 HD2 LYS 45 -16.337 3.085 1.190 329 2HD LYS 45 HD1 LYS 45 -15.035 4.256 1.420 330 1HE LYS 45 HE2 LYS 45 -14.591 3.202 -0.644 331 2HE LYS 45 HE1 LYS 45 -13.470 2.483 0.509 332 1HZ LYS 45 HZ1 LYS 45 -16.005 1.288 -0.466 333 2HZ LYS 45 HZ2 LYS 45 -15.025 0.602 0.733 334 3HZ LYS 45 HZ3 LYS 45 -14.433 0.773 -0.848 335 H ALA 46 HN ALA 46 -12.395 4.033 6.077 336 HA ALA 46 HA ALA 46 -15.015 4.127 7.416 337 1HB ALA 46 HB1 ALA 46 -13.453 2.880 8.833 338 2HB ALA 46 HB2 ALA 46 -13.900 4.419 9.568 339 3HB ALA 46 HB3 ALA 46 -12.328 4.238 8.789 340 H CYS 47 HN CYS 47 -15.850 6.052 7.140 341 HA CYS 47 HA CYS 47 -16.126 8.264 6.801 342 1HB CYS 47 HB2 CYS 47 -13.442 8.563 8.166 343 2HB CYS 47 HB1 CYS 47 -14.637 9.833 7.932 344 HG CYS 47 HG CYS 47 -16.253 7.500 9.437 345 H GLY 48 HN GLY 48 -12.615 8.581 6.542 346 1HA GLY 48 HA2 GLY 48 -12.915 8.805 3.616 347 2HA GLY 48 HA1 GLY 48 -12.073 10.052 4.528 348 H ALA 49 HN ALA 49 -11.522 7.124 5.985 349 HA ALA 49 HA ALA 49 -8.876 6.947 4.720 350 1HB ALA 49 HB1 ALA 49 -9.794 5.892 7.397 351 2HB ALA 49 HB2 ALA 49 -8.889 7.384 7.136 352 3HB ALA 49 HB3 ALA 49 -8.149 5.825 6.762 353 H VAL 50 HN VAL 50 -8.044 4.995 4.038 354 HA VAL 50 HA VAL 50 -9.974 2.771 3.855 355 HB VAL 50 HB VAL 50 -8.914 2.139 1.697 356 1HG1 VAL 50 HG11 VAL 50 -11.010 3.355 1.707 357 2HG1 VAL 50 HG12 VAL 50 -10.011 3.875 0.349 358 3HG1 VAL 50 HG13 VAL 50 -10.143 4.890 1.786 359 1HG2 VAL 50 HG21 VAL 50 -6.768 3.261 1.962 360 2HG2 VAL 50 HG22 VAL 50 -7.568 4.832 1.915 361 3HG2 VAL 50 HG23 VAL 50 -7.570 3.798 0.487 362 H ASP 51 HN ASP 51 -9.183 0.704 4.136 363 HA ASP 51 HA ASP 51 -6.357 0.382 4.828 364 1HB ASP 51 HB2 ASP 51 -7.580 1.029 6.900 365 2HB ASP 51 HB1 ASP 51 -8.615 -0.380 6.693 366 H TYR 52 HN TYR 52 -5.596 -1.548 4.184 367 HA TYR 52 HA TYR 52 -7.534 -3.477 3.130 368 1HB TYR 52 HB2 TYR 52 -4.540 -3.279 2.701 369 2HB TYR 52 HB1 TYR 52 -5.593 -4.479 1.963 370 HD1 TYR 52 HD1 TYR 52 -4.629 -0.927 1.984 371 HD2 TYR 52 HD2 TYR 52 -7.041 -3.896 0.123 372 HE1 TYR 52 HE1 TYR 52 -5.068 0.608 0.113 373 HE2 TYR 52 HE2 TYR 52 -7.486 -2.370 -1.750 374 HH TYR 52 HH TYR 52 -7.463 -0.053 -2.276 375 H PHE 53 HN PHE 53 -8.160 -4.874 4.610 376 HA PHE 53 HA PHE 53 -6.229 -6.008 6.526 377 1HB PHE 53 HB2 PHE 53 -7.489 -3.828 7.267 378 2HB PHE 53 HB1 PHE 53 -8.858 -4.910 7.465 379 HD1 PHE 53 HD2 PHE 53 -5.337 -4.377 8.520 380 HD2 PHE 53 HD1 PHE 53 -9.113 -6.134 9.400 381 HE1 PHE 53 HE2 PHE 53 -4.543 -4.947 10.774 382 HE2 PHE 53 HE1 PHE 53 -8.331 -6.704 11.653 383 HZ PHE 53 HZ PHE 53 -6.040 -6.109 12.348 384 H CYS 54 HN CYS 54 -6.498 -8.137 6.466 385 HA CYS 54 HA CYS 54 -8.706 -9.382 5.213 386 1HB CYS 54 HB2 CYS 54 -6.525 -10.512 6.982 387 2HB CYS 54 HB1 CYS 54 -7.716 -11.503 6.153 388 H GLN 55 HN GLN 55 -10.613 -9.975 6.009 389 HA GLN 55 HA GLN 55 -10.929 -10.068 8.937 390 1HB GLN 55 HB2 GLN 55 -12.987 -9.490 6.799 391 2HB GLN 55 HB1 GLN 55 -13.350 -9.673 8.507 392 1HG GLN 55 HG2 GLN 55 -11.473 -7.591 7.424 393 2HG GLN 55 HG1 GLN 55 -13.193 -7.320 7.693 394 1HE2 GLN 55 HE21 GLN 55 -10.105 -7.875 9.202 395 2HE2 GLN 55 HE22 GLN 55 -10.579 -7.373 10.790 396 H ASN 56 HN ASN 56 -12.914 -11.325 6.279 397 HA ASN 56 HA ASN 56 -12.951 -13.936 7.583 398 1HB ASN 56 HB2 ASN 56 -15.093 -12.956 6.860 399 2HB ASN 56 HB1 ASN 56 -14.513 -12.916 5.198 400 1HD2 ASN 56 HD21 ASN 56 -16.116 -14.239 4.428 401 2HD2 ASN 56 HD22 ASN 56 -16.180 -15.935 4.784 402 H GLY 57 HN GLY 57 -11.420 -15.330 7.053 403 1HA GLY 57 HA2 GLY 57 -10.878 -16.799 5.042 404 2HA GLY 57 HA1 GLY 57 -10.368 -15.289 4.295 405 H HIS 58 HN HIS 58 -9.104 -14.071 6.417 406 HA HIS 58 HA HIS 58 -6.905 -15.927 7.061 407 1HB HIS 58 HB2 HIS 58 -6.235 -14.289 5.327 408 2HB HIS 58 HB1 HIS 58 -6.694 -12.973 6.396 409 HD2 HIS 58 HD2 HIS 58 -4.999 -14.687 8.967 410 HE1 HIS 58 HE1 HIS 58 -1.726 -13.282 6.674 411 HE2 HIS 58 HE2 HIS 58 -2.446 -14.335 8.844 412 H GLY 59 HN GLY 59 -7.989 -12.664 7.964 413 1HA GLY 59 HA2 GLY 59 -8.915 -12.476 10.299 414 2HA GLY 59 HA1 GLY 59 -7.489 -13.396 10.772 415 H LEU 60 HN LEU 60 -7.595 -11.176 12.078 416 HA LEU 60 HA LEU 60 -6.715 -8.859 10.638 417 1HB LEU 60 HB2 LEU 60 -6.494 -7.854 12.888 418 2HB LEU 60 HB1 LEU 60 -8.062 -8.582 12.613 419 HG LEU 60 HG LEU 60 -6.923 -10.634 13.866 420 1HD1 LEU 60 HD11 LEU 60 -4.740 -9.583 14.104 421 2HD1 LEU 60 HD12 LEU 60 -5.481 -9.867 15.679 422 3HD1 LEU 60 HD13 LEU 60 -5.470 -8.243 14.990 423 1HD2 LEU 60 HD21 LEU 60 -8.030 -8.190 15.240 424 2HD2 LEU 60 HD22 LEU 60 -7.930 -9.807 15.936 425 3HD2 LEU 60 HD23 LEU 60 -8.970 -9.509 14.544 426 H ILE 61 HN ILE 61 -4.742 -8.024 10.416 427 HA ILE 61 HA ILE 61 -2.461 -9.552 11.479 428 HB ILE 61 HB ILE 61 -2.727 -8.016 8.889 429 1HG1 ILE 61 HG12 ILE 61 -3.599 -10.300 8.844 430 2HG1 ILE 61 HG11 ILE 61 -2.142 -10.177 7.865 431 1HG2 ILE 61 HG21 ILE 61 -0.216 -9.242 10.029 432 2HG2 ILE 61 HG22 ILE 61 -0.549 -7.516 9.898 433 3HG2 ILE 61 HG23 ILE 61 -0.380 -8.493 8.439 434 1HD1 ILE 61 HD11 ILE 61 -2.307 -11.304 10.653 435 2HD1 ILE 61 HD12 ILE 61 -0.844 -11.178 9.677 436 3HD1 ILE 61 HD13 ILE 61 -2.161 -12.229 9.159 437 H SER 62 HN SER 62 -1.082 -8.471 12.766 438 HA SER 62 HA SER 62 -1.556 -5.911 13.742 439 1HB SER 62 HB2 SER 62 -0.009 -7.735 14.688 440 2HB SER 62 HB1 SER 62 1.204 -7.130 13.562 441 HG SER 62 HG SER 62 -0.051 -5.751 15.707 442 H LYS 63 HN LYS 63 -1.497 -4.027 12.689 443 HA LYS 63 HA LYS 63 -0.543 -4.000 9.997 444 1HB LYS 63 HB2 LYS 63 -1.411 -1.652 9.986 445 2HB LYS 63 HB1 LYS 63 -2.582 -2.898 10.387 446 1HG LYS 63 HG2 LYS 63 -2.229 -2.331 12.800 447 2HG LYS 63 HG1 LYS 63 -1.249 -0.962 12.265 448 1HD LYS 63 HD2 LYS 63 -3.135 -0.060 11.034 449 2HD LYS 63 HD1 LYS 63 -4.118 -1.457 11.471 450 1HE LYS 63 HE2 LYS 63 -3.929 -0.832 13.835 451 2HE LYS 63 HE1 LYS 63 -2.966 0.573 13.379 452 1HZ LYS 63 HZ1 LYS 63 -4.866 1.372 12.079 453 2HZ LYS 63 HZ2 LYS 63 -5.249 1.211 13.724 454 3HZ LYS 63 HZ3 LYS 63 -5.790 0.053 12.609 455 H LYS 64 HN LYS 64 1.242 -3.679 12.675 456 HA LYS 64 HA LYS 64 3.079 -1.791 11.393 457 1HB LYS 64 HB2 LYS 64 3.053 -3.076 14.113 458 2HB LYS 64 HB1 LYS 64 4.507 -2.322 13.476 459 1HG LYS 64 HG2 LYS 64 3.106 -0.239 13.139 460 2HG LYS 64 HG1 LYS 64 1.876 -1.036 14.122 461 1HD LYS 64 HD2 LYS 64 3.357 -1.170 15.992 462 2HD LYS 64 HD1 LYS 64 4.725 -0.631 15.019 463 1HE LYS 64 HE2 LYS 64 3.435 1.515 14.643 464 2HE LYS 64 HE1 LYS 64 2.329 0.959 15.900 465 1HZ LYS 64 HZ1 LYS 64 5.255 1.278 16.289 466 2HZ LYS 64 HZ2 LYS 64 4.095 0.957 17.486 467 3HZ LYS 64 HZ3 LYS 64 4.112 2.457 16.699 468 H ARG 65 HN ARG 65 2.254 -4.854 10.997 469 HA ARG 65 HA ARG 65 4.994 -5.676 10.297 470 1HB ARG 65 HB2 ARG 65 2.682 -7.378 11.227 471 2HB ARG 65 HB1 ARG 65 4.154 -8.035 10.525 472 1HG ARG 65 HG2 ARG 65 5.448 -6.995 12.351 473 2HG ARG 65 HG1 ARG 65 3.932 -6.446 13.073 474 1HD ARG 65 HD2 ARG 65 4.732 -8.516 14.111 475 2HD ARG 65 HD1 ARG 65 3.186 -8.748 13.299 476 HE ARG 65 HE ARG 65 5.442 -9.393 11.640 477 1HH1 ARG 65 HH11 ARG 65 3.235 -10.620 14.066 478 2HH1 ARG 65 HH12 ARG 65 3.498 -12.287 13.652 479 1HH2 ARG 65 HH21 ARG 65 5.809 -11.579 11.103 480 2HH2 ARG 65 HH22 ARG 65 4.984 -12.827 11.989 481 H VAL 66 HN VAL 66 2.159 -4.627 9.046 482 HA VAL 66 HA VAL 66 1.946 -6.391 6.781 483 HB VAL 66 HB VAL 66 0.439 -4.629 5.832 484 1HG1 VAL 66 HG11 VAL 66 -1.383 -4.961 7.401 485 2HG1 VAL 66 HG12 VAL 66 -0.241 -5.515 8.627 486 3HG1 VAL 66 HG13 VAL 66 -0.480 -6.455 7.152 487 1HG2 VAL 66 HG21 VAL 66 0.970 -3.267 8.463 488 2HG2 VAL 66 HG22 VAL 66 -0.287 -2.810 7.313 489 3HG2 VAL 66 HG23 VAL 66 1.414 -2.675 6.861 490 H ASN 67 HN ASN 67 2.373 -5.776 4.597 491 HA ASN 67 HA ASN 67 4.668 -3.954 4.415 492 1HB ASN 67 HB2 ASN 67 4.905 -6.275 3.496 493 2HB ASN 67 HB1 ASN 67 3.664 -5.882 2.311 494 1HD2 ASN 67 HD21 ASN 67 6.930 -5.268 3.351 495 2HD2 ASN 67 HD22 ASN 67 7.469 -4.505 1.896 496 H PHE 68 HN PHE 68 3.834 -1.938 4.267 497 HA PHE 68 HA PHE 68 1.652 -1.311 2.503 498 1HB PHE 68 HB2 PHE 68 3.617 0.479 3.949 499 2HB PHE 68 HB1 PHE 68 2.258 1.065 3.004 500 HD1 PHE 68 HD1 PHE 68 0.085 -0.736 3.830 501 HD2 PHE 68 HD2 PHE 68 3.189 1.059 6.123 502 HE1 PHE 68 HE1 PHE 68 -1.355 -0.789 5.818 503 HE2 PHE 68 HE2 PHE 68 1.758 0.994 8.120 504 HZ PHE 68 HZ PHE 68 -0.519 0.070 7.970 505 H VAL 69 HN VAL 69 1.937 -1.446 0.370 506 HA VAL 69 HA VAL 69 4.467 -0.429 -0.750 507 HB VAL 69 HB VAL 69 4.356 -2.907 -0.830 508 1HG1 VAL 69 HG11 VAL 69 2.795 -3.983 -2.398 509 2HG1 VAL 69 HG12 VAL 69 1.969 -2.439 -2.605 510 3HG1 VAL 69 HG13 VAL 69 1.977 -3.229 -1.028 511 1HG2 VAL 69 HG21 VAL 69 5.668 -1.714 -2.490 512 2HG2 VAL 69 HG22 VAL 69 4.246 -1.555 -3.523 513 3HG2 VAL 69 HG23 VAL 69 4.929 -3.150 -3.201 514 H ILE 70 HN ILE 70 4.354 0.621 -2.750 515 HA ILE 70 HA ILE 70 1.868 1.898 -3.397 516 HB ILE 70 HB ILE 70 4.438 1.887 -4.993 517 1HG1 ILE 70 HG12 ILE 70 3.518 3.901 -2.928 518 2HG1 ILE 70 HG11 ILE 70 4.753 2.679 -2.648 519 1HG2 ILE 70 HG21 ILE 70 3.580 3.982 -5.932 520 2HG2 ILE 70 HG22 ILE 70 2.102 3.796 -4.990 521 3HG2 ILE 70 HG23 ILE 70 2.493 2.632 -6.256 522 1HD1 ILE 70 HD11 ILE 70 5.744 4.842 -3.119 523 2HD1 ILE 70 HD12 ILE 70 4.900 4.904 -4.666 524 3HD1 ILE 70 HD13 ILE 70 6.139 3.681 -4.387 525 H SER 71 HN SER 71 0.314 0.741 -4.385 526 HA SER 71 HA SER 71 1.062 -0.861 -6.719 527 1HB SER 71 HB2 SER 71 0.955 -2.349 -4.704 528 2HB SER 71 HB1 SER 71 -0.734 -1.889 -4.505 529 HG SER 71 HG SER 71 -1.241 -3.289 -5.974 530 H ASP 72 HN ASP 72 -1.130 -1.774 -7.658 531 HA ASP 72 HA ASP 72 -3.047 0.451 -7.794 532 1HB ASP 72 HB2 ASP 72 -1.847 -0.508 -9.897 533 2HB ASP 72 HB1 ASP 72 -2.928 -1.882 -9.707 534 H GLN 73 HN GLN 73 -5.316 -0.778 -8.564 535 HA GLN 73 HA GLN 73 -6.009 -2.324 -6.196 536 1HB GLN 73 HB2 GLN 73 -7.760 -1.303 -8.443 537 2HB GLN 73 HB1 GLN 73 -8.327 -2.023 -6.943 538 1HG GLN 73 HG2 GLN 73 -6.765 0.539 -7.169 539 2HG GLN 73 HG1 GLN 73 -8.508 0.416 -6.937 540 1HE2 GLN 73 HE21 GLN 73 -6.419 1.647 -5.275 541 2HE2 GLN 73 HE22 GLN 73 -6.571 0.903 -3.716 542 H LEU 74 HN LEU 74 -6.337 -2.613 -9.728 543 HA LEU 74 HA LEU 74 -5.962 -5.496 -9.519 544 1HB LEU 74 HB2 LEU 74 -8.374 -4.208 -10.793 545 2HB LEU 74 HB1 LEU 74 -7.879 -5.855 -11.119 546 HG LEU 74 HG LEU 74 -8.661 -4.823 -8.392 547 1HD1 LEU 74 HD11 LEU 74 -10.556 -4.795 -9.918 548 2HD1 LEU 74 HD12 LEU 74 -10.728 -6.085 -8.728 549 3HD1 LEU 74 HD13 LEU 74 -10.226 -6.466 -10.374 550 1HD2 LEU 74 HD21 LEU 74 -8.728 -7.196 -7.795 551 2HD2 LEU 74 HD22 LEU 74 -7.116 -6.716 -8.324 552 3HD2 LEU 74 HD23 LEU 74 -8.168 -7.622 -9.411 553 H GLU 75 HN GLU 75 -5.148 -6.434 -11.399 554 HA GLU 75 HA GLU 75 -3.806 -4.572 -13.146 555 1HB GLU 75 HB2 GLU 75 -2.600 -6.528 -12.296 556 2HB GLU 75 HB1 GLU 75 -3.760 -7.598 -13.069 557 1HG GLU 75 HG2 GLU 75 -1.641 -7.409 -14.305 558 2HG GLU 75 HG1 GLU 75 -3.040 -6.896 -15.251 559 H HIS 76 HN HIS 76 -4.792 -3.754 -14.840 560 HA HIS 76 HA HIS 76 -6.406 -5.534 -16.537 561 1HB HIS 76 HB2 HIS 76 -7.096 -2.653 -15.906 562 2HB HIS 76 HB1 HIS 76 -7.950 -3.687 -17.041 563 HD1 HIS 76 HD1 HIS 76 -9.362 -5.670 -15.981 564 HD2 HIS 76 HD2 HIS 76 -7.861 -2.871 -13.296 565 HE1 HIS 76 HE1 HIS 76 -10.685 -5.982 -13.863 566 HE2 HIS 76 HE2 HIS 76 -9.875 -4.157 -12.319 567 H HIS 77 HN HIS 77 -5.011 -2.270 -16.382 568 HA HIS 77 HA HIS 77 -4.098 -0.918 -17.951 569 1HB HIS 77 HB2 HIS 77 -2.761 -3.544 -18.392 570 2HB HIS 77 HB1 HIS 77 -2.483 -2.269 -19.572 571 HD1 HIS 77 HD1 HIS 77 -1.729 -3.263 -16.050 572 HD2 HIS 77 HD2 HIS 77 -0.976 -0.092 -18.645 573 HE1 HIS 77 HE1 HIS 77 0.083 -1.902 -14.960 574 HE2 HIS 77 HE2 HIS 77 0.663 -0.111 -16.641 575 H HIS 78 HN HIS 78 -3.837 -3.392 -20.331 576 HA HIS 78 HA HIS 78 -6.270 -3.296 -21.638 577 1HB HIS 78 HB2 HIS 78 -5.622 -0.823 -21.816 578 2HB HIS 78 HB1 HIS 78 -4.339 -1.342 -22.900 579 HD1 HIS 78 HD1 HIS 78 -8.128 -1.583 -22.648 580 HD2 HIS 78 HD2 HIS 78 -5.093 -1.444 -25.489 581 HE1 HIS 78 HE1 HIS 78 -9.289 -1.431 -24.879 582 HE2 HIS 78 HE2 HIS 78 -7.425 -1.149 -26.562 583 H HIS 79 HN HIS 79 -6.204 -4.791 -23.266 584 HA HIS 79 HA HIS 79 -4.111 -6.597 -23.274 585 1HB HIS 79 HB2 HIS 79 -6.525 -6.948 -24.016 586 2HB HIS 79 HB1 HIS 79 -6.032 -6.297 -25.575 587 HD1 HIS 79 HD1 HIS 79 -3.332 -8.280 -24.184 588 HD2 HIS 79 HD2 HIS 79 -6.813 -9.042 -26.332 589 HE1 HIS 79 HE1 HIS 79 -3.058 -10.592 -25.121 590 HE2 HIS 79 HE2 HIS 79 -5.261 -11.109 -26.224 591 H HIS 80 HN HIS 80 -4.999 -4.596 -26.123 592 HA HIS 80 HA HIS 80 -2.105 -4.334 -26.623 593 1HB HIS 80 HB2 HIS 80 -3.266 -5.893 -28.246 594 2HB HIS 80 HB1 HIS 80 -4.185 -4.502 -28.809 595 HD1 HIS 80 HD1 HIS 80 -3.140 -3.171 -30.649 596 HD2 HIS 80 HD2 HIS 80 -0.374 -5.542 -28.642 597 HE1 HIS 80 HE1 HIS 80 -0.995 -2.949 -31.935 598 HE2 HIS 80 HE2 HIS 80 0.581 -4.587 -30.847 599 H HIS 81 HN HIS 81 -4.793 -2.923 -28.434 600 HA HIS 81 HA HIS 81 -4.778 -0.452 -27.022 601 1HB HIS 81 HB2 HIS 81 -2.594 -0.414 -28.399 602 2HB HIS 81 HB1 HIS 81 -3.640 -0.240 -29.806 603 HD1 HIS 81 HD1 HIS 81 -3.920 2.135 -30.472 604 HD2 HIS 81 HD2 HIS 81 -3.375 1.711 -26.365 605 HE1 HIS 81 HE1 HIS 81 -3.955 4.472 -29.530 606 HE2 HIS 81 HE2 HIS 81 -3.645 4.192 -27.039 Start of MODEL 13 1 1H MET 1 HT1 MET 1 9.350 0.033 5.291 2 2H MET 1 HT2 MET 1 9.830 -0.925 6.596 3 3H MET 1 HT3 MET 1 10.731 0.450 6.175 4 HA MET 1 HA MET 1 7.942 0.445 7.178 5 1HB MET 1 HB2 MET 1 10.518 1.307 8.519 6 2HB MET 1 HB1 MET 1 8.907 1.568 9.173 7 1HG MET 1 HG2 MET 1 8.578 -0.891 9.193 8 2HG MET 1 HG1 MET 1 10.256 -1.078 8.689 9 1HE MET 1 HE1 MET 1 11.634 1.325 10.329 10 2HE MET 1 HE2 MET 1 12.339 -0.286 10.183 11 3HE MET 1 HE3 MET 1 12.166 0.459 11.772 12 H GLU 2 HN GLU 2 10.774 2.341 6.210 13 HA GLU 2 HA GLU 2 9.140 4.735 5.918 14 1HB GLU 2 HB2 GLU 2 11.401 4.969 6.834 15 2HB GLU 2 HB1 GLU 2 12.078 4.215 5.399 16 1HG GLU 2 HG2 GLU 2 11.238 6.106 4.052 17 2HG GLU 2 HG1 GLU 2 10.676 6.873 5.538 18 H ILE 3 HN ILE 3 8.088 5.124 4.064 19 HA ILE 3 HA ILE 3 8.641 3.546 1.719 20 HB ILE 3 HB ILE 3 6.714 5.868 1.978 21 1HG1 ILE 3 HG12 ILE 3 5.016 3.895 1.981 22 2HG1 ILE 3 HG11 ILE 3 6.383 2.920 2.503 23 1HG2 ILE 3 HG21 ILE 3 6.900 3.663 -0.071 24 2HG2 ILE 3 HG22 ILE 3 7.339 5.353 -0.320 25 3HG2 ILE 3 HG23 ILE 3 5.659 4.915 -0.009 26 1HD1 ILE 3 HD11 ILE 3 5.280 5.325 3.938 27 2HD1 ILE 3 HD12 ILE 3 6.646 4.342 4.467 28 3HD1 ILE 3 HD13 ILE 3 5.031 3.637 4.385 29 H THR 4 HN THR 4 10.278 4.026 0.455 30 HA THR 4 HA THR 4 11.299 6.769 0.403 31 HB THR 4 HB THR 4 12.715 4.319 -0.641 32 HG1 THR 4 HG1 THR 4 13.028 5.343 1.994 33 1HG2 THR 4 HG21 THR 4 14.723 5.619 -0.119 34 2HG2 THR 4 HG22 THR 4 13.720 6.940 0.480 35 3HG2 THR 4 HG23 THR 4 13.673 6.500 -1.228 36 H CYS 5 HN CYS 5 11.372 7.954 -1.443 37 HA CYS 5 HA CYS 5 9.961 7.201 -3.771 38 1HB CYS 5 HB2 CYS 5 10.298 9.549 -3.142 39 2HB CYS 5 HB1 CYS 5 12.034 9.378 -3.367 40 HA PRO 6 HA PRO 6 13.129 4.693 -5.680 41 1HB PRO 6 HB2 PRO 6 11.946 4.477 -8.126 42 2HB PRO 6 HB1 PRO 6 11.445 3.529 -6.722 43 1HG PRO 6 HG2 PRO 6 10.231 6.013 -7.865 44 2HG PRO 6 HG1 PRO 6 9.430 4.558 -7.242 45 1HD PRO 6 HD2 PRO 6 9.640 6.837 -5.797 46 2HD PRO 6 HD1 PRO 6 9.644 5.229 -5.046 47 H VAL 7 HN VAL 7 11.964 7.751 -6.844 48 HA VAL 7 HA VAL 7 14.031 7.984 -8.875 49 HB VAL 7 HB VAL 7 11.973 10.022 -8.004 50 1HG1 VAL 7 HG11 VAL 7 12.455 11.106 -10.141 51 2HG1 VAL 7 HG12 VAL 7 13.695 9.899 -10.478 52 3HG1 VAL 7 HG13 VAL 7 13.896 11.017 -9.129 53 1HG2 VAL 7 HG21 VAL 7 10.895 8.016 -8.861 54 2HG2 VAL 7 HG22 VAL 7 11.906 8.071 -10.304 55 3HG2 VAL 7 HG23 VAL 7 10.727 9.347 -10.005 56 H CYS 8 HN CYS 8 12.991 9.947 -6.079 57 HA CYS 8 HA CYS 8 15.482 11.402 -6.108 58 1HB CYS 8 HB2 CYS 8 13.199 11.522 -4.130 59 2HB CYS 8 HB1 CYS 8 14.507 12.690 -4.280 60 H HIS 9 HN HIS 9 14.376 8.544 -4.647 61 HA HIS 9 HA HIS 9 15.035 7.251 -2.904 62 1HB HIS 9 HB2 HIS 9 17.638 8.595 -3.619 63 2HB HIS 9 HB1 HIS 9 17.536 7.366 -2.359 64 HD1 HIS 9 HD1 HIS 9 18.040 7.732 -5.919 65 HD2 HIS 9 HD2 HIS 9 16.383 4.843 -3.423 66 HE1 HIS 9 HE1 HIS 9 17.968 5.613 -7.278 67 HE2 HIS 9 HE2 HIS 9 16.994 3.865 -5.737 68 H HIS 10 HN HIS 10 13.635 9.333 -2.186 69 HA HIS 10 HA HIS 10 14.782 10.206 0.367 70 1HB HIS 10 HB2 HIS 10 14.975 12.098 -1.121 71 2HB HIS 10 HB1 HIS 10 13.335 11.875 -1.705 72 HD1 HIS 10 HD1 HIS 10 15.252 13.163 1.279 73 HD2 HIS 10 HD2 HIS 10 11.370 13.101 -0.212 74 HE1 HIS 10 HE1 HIS 10 13.951 14.774 2.698 75 HE2 HIS 10 HE2 HIS 10 11.574 14.610 1.879 76 H ALA 11 HN ALA 11 13.266 10.354 2.052 77 HA ALA 11 HA ALA 11 11.171 8.518 2.028 78 1HB ALA 11 HB1 ALA 11 12.290 9.269 4.066 79 2HB ALA 11 HB2 ALA 11 10.540 9.446 4.192 80 3HB ALA 11 HB3 ALA 11 11.549 10.860 3.890 81 H LEU 12 HN LEU 12 9.039 8.607 1.598 82 HA LEU 12 HA LEU 12 8.024 10.957 0.256 83 1HB LEU 12 HB2 LEU 12 6.672 8.337 0.910 84 2HB LEU 12 HB1 LEU 12 5.995 9.599 -0.099 85 HG LEU 12 HG LEU 12 8.408 7.894 -0.706 86 1HD1 LEU 12 HD11 LEU 12 6.232 6.813 -1.035 87 2HD1 LEU 12 HD12 LEU 12 7.066 7.094 -2.563 88 3HD1 LEU 12 HD13 LEU 12 5.736 8.147 -2.078 89 1HD2 LEU 12 HD21 LEU 12 8.817 10.149 -1.481 90 2HD2 LEU 12 HD22 LEU 12 7.238 10.191 -2.262 91 3HD2 LEU 12 HD23 LEU 12 8.481 9.085 -2.847 92 H GLU 13 HN GLU 13 6.105 12.067 0.853 93 HA GLU 13 HA GLU 13 5.705 12.264 3.727 94 1HB GLU 13 HB2 GLU 13 5.618 14.075 1.586 95 2HB GLU 13 HB1 GLU 13 3.944 13.892 2.086 96 1HG GLU 13 HG2 GLU 13 6.200 14.588 3.950 97 2HG GLU 13 HG1 GLU 13 5.150 15.772 3.171 98 H ARG 14 HN ARG 14 4.337 10.854 4.611 99 HA ARG 14 HA ARG 14 2.273 9.629 2.953 100 1HB ARG 14 HB2 ARG 14 3.234 8.983 5.747 101 2HB ARG 14 HB1 ARG 14 1.937 8.124 4.931 102 1HG ARG 14 HG2 ARG 14 3.730 6.748 4.537 103 2HG ARG 14 HG1 ARG 14 3.717 7.736 3.077 104 1HD ARG 14 HD2 ARG 14 5.964 7.665 3.739 105 2HD ARG 14 HD1 ARG 14 5.385 9.242 4.272 106 HE ARG 14 HE ARG 14 5.150 7.246 6.314 107 1HH1 ARG 14 HH11 ARG 14 7.358 9.527 4.811 108 2HH1 ARG 14 HH12 ARG 14 8.428 9.566 6.176 109 1HH2 ARG 14 HH21 ARG 14 6.566 7.296 8.087 110 2HH2 ARG 14 HH22 ARG 14 7.999 8.283 8.032 111 H ASN 15 HN ASN 15 0.405 10.629 2.815 112 HA ASN 15 HA ASN 15 -0.556 12.252 5.053 113 1HB ASN 15 HB2 ASN 15 -0.553 13.198 2.746 114 2HB ASN 15 HB1 ASN 15 -1.678 11.940 2.252 115 1HD2 ASN 15 HD21 ASN 15 -1.249 14.843 4.115 116 2HD2 ASN 15 HD22 ASN 15 -2.935 15.192 4.325 117 H GLY 16 HN GLY 16 -0.798 9.153 3.902 118 1HA GLY 16 HA2 GLY 16 -2.146 7.487 4.978 119 2HA GLY 16 HA1 GLY 16 -3.370 8.723 5.260 120 H ASP 17 HN ASP 17 -2.651 6.093 3.438 121 HA ASP 17 HA ASP 17 -3.565 5.122 1.602 122 1HB ASP 17 HB2 ASP 17 -5.734 5.975 2.192 123 2HB ASP 17 HB1 ASP 17 -5.334 7.575 1.578 124 H THR 18 HN THR 18 -2.640 8.501 1.314 125 HA THR 18 HA THR 18 -1.610 7.916 -1.384 126 HB THR 18 HB THR 18 -2.198 10.683 -0.337 127 HG1 THR 18 HG1 THR 18 -3.942 8.884 -1.720 128 1HG2 THR 18 HG21 THR 18 -0.755 10.505 -2.312 129 2HG2 THR 18 HG22 THR 18 -2.311 11.227 -2.725 130 3HG2 THR 18 HG23 THR 18 -1.985 9.542 -3.128 131 H ALA 19 HN ALA 19 0.521 8.117 -1.706 132 HA ALA 19 HA ALA 19 2.140 9.376 0.413 133 1HB ALA 19 HB1 ALA 19 2.622 7.001 0.076 134 2HB ALA 19 HB2 ALA 19 3.999 8.003 -0.378 135 3HB ALA 19 HB3 ALA 19 2.964 7.307 -1.625 136 H HIS 20 HN HIS 20 2.882 11.313 -0.093 137 HA HIS 20 HA HIS 20 3.164 12.008 -2.943 138 1HB HIS 20 HB2 HIS 20 1.439 13.260 -1.622 139 2HB HIS 20 HB1 HIS 20 2.729 13.868 -0.592 140 HD1 HIS 20 HD1 HIS 20 1.158 14.294 -3.935 141 HD2 HIS 20 HD2 HIS 20 4.344 15.862 -1.765 142 HE1 HIS 20 HE1 HIS 20 1.887 16.357 -5.184 143 HE2 HIS 20 HE2 HIS 20 3.701 17.381 -3.756 144 H CYS 21 HN CYS 21 5.190 12.393 -3.661 145 HA CYS 21 HA CYS 21 7.365 12.433 -1.768 146 1HB CYS 21 HB2 CYS 21 7.637 11.291 -3.931 147 2HB CYS 21 HB1 CYS 21 7.418 12.823 -4.769 148 H GLU 22 HN GLU 22 8.353 14.156 -0.948 149 HA GLU 22 HA GLU 22 7.295 16.746 -1.224 150 1HB GLU 22 HB2 GLU 22 10.049 15.997 -0.223 151 2HB GLU 22 HB1 GLU 22 9.172 17.477 0.131 152 1HG GLU 22 HG2 GLU 22 7.471 16.153 1.323 153 2HG GLU 22 HG1 GLU 22 8.423 14.700 1.017 154 H THR 23 HN THR 23 9.735 15.025 -2.961 155 HA THR 23 HA THR 23 10.621 17.487 -4.285 156 HB THR 23 HB THR 23 12.507 15.857 -5.075 157 HG1 THR 23 HG1 THR 23 11.355 14.006 -4.093 158 1HG2 THR 23 HG21 THR 23 12.317 16.806 -2.213 159 2HG2 THR 23 HG22 THR 23 12.848 17.774 -3.588 160 3HG2 THR 23 HG23 THR 23 13.805 16.387 -3.063 161 H CYS 24 HN CYS 24 8.248 15.558 -4.843 162 HA CYS 24 HA CYS 24 8.661 15.592 -7.745 163 1HB CYS 24 HB2 CYS 24 7.584 13.257 -6.152 164 2HB CYS 24 HB1 CYS 24 7.340 13.432 -7.885 165 H ALA 25 HN ALA 25 6.490 15.243 -8.880 166 HA ALA 25 HA ALA 25 4.331 16.533 -7.336 167 1HB ALA 25 HB1 ALA 25 4.761 16.461 -10.328 168 2HB ALA 25 HB2 ALA 25 5.073 17.838 -9.271 169 3HB ALA 25 HB3 ALA 25 3.423 17.258 -9.496 170 H LYS 26 HN LYS 26 5.153 13.702 -7.444 171 HA LYS 26 HA LYS 26 2.895 12.448 -8.820 172 1HB LYS 26 HB2 LYS 26 5.460 11.323 -7.699 173 2HB LYS 26 HB1 LYS 26 4.150 10.315 -8.295 174 1HG LYS 26 HG2 LYS 26 4.390 11.303 -10.513 175 2HG LYS 26 HG1 LYS 26 5.694 12.333 -9.912 176 1HD LYS 26 HD2 LYS 26 7.086 10.446 -9.475 177 2HD LYS 26 HD1 LYS 26 5.761 9.323 -9.779 178 1HE LYS 26 HE2 LYS 26 7.051 11.136 -11.816 179 2HE LYS 26 HE1 LYS 26 7.328 9.402 -11.656 180 1HZ LYS 26 HZ1 LYS 26 4.880 10.799 -12.549 181 2HZ LYS 26 HZ2 LYS 26 4.821 9.203 -11.990 182 3HZ LYS 26 HZ3 LYS 26 5.758 9.589 -13.348 183 H ASP 27 HN ASP 27 1.379 11.275 -7.770 184 HA ASP 27 HA ASP 27 1.615 11.033 -4.843 185 1HB ASP 27 HB2 ASP 27 -0.849 11.419 -6.558 186 2HB ASP 27 HB1 ASP 27 -0.924 10.895 -4.880 187 H PHE 28 HN PHE 28 1.817 9.017 -4.153 188 HA PHE 28 HA PHE 28 1.192 6.850 -6.034 189 1HB PHE 28 HB2 PHE 28 3.006 6.837 -3.612 190 2HB PHE 28 HB1 PHE 28 2.772 5.497 -4.730 191 HD1 PHE 28 HD1 PHE 28 3.433 5.850 -7.163 192 HD2 PHE 28 HD2 PHE 28 4.631 8.453 -4.016 193 HE1 PHE 28 HE1 PHE 28 5.271 6.694 -8.565 194 HE2 PHE 28 HE2 PHE 28 6.470 9.303 -5.413 195 HZ PHE 28 HZ PHE 28 6.791 8.422 -7.691 196 H SER 29 HN SER 29 -0.281 5.338 -5.558 197 HA SER 29 HA SER 29 -1.906 5.652 -3.202 198 1HB SER 29 HB2 SER 29 -2.033 3.537 -5.364 199 2HB SER 29 HB1 SER 29 -3.290 3.904 -4.183 200 HG SER 29 HG SER 29 -2.773 6.185 -5.330 201 H LEU 30 HN LEU 30 -1.524 4.678 -1.317 202 HA LEU 30 HA LEU 30 0.285 2.371 -1.282 203 1HB LEU 30 HB2 LEU 30 -0.614 4.214 0.932 204 2HB LEU 30 HB1 LEU 30 0.401 2.805 1.177 205 HG LEU 30 HG LEU 30 1.114 5.259 -0.432 206 1HD1 LEU 30 HD11 LEU 30 1.184 5.644 1.959 207 2HD1 LEU 30 HD12 LEU 30 2.821 5.568 1.305 208 3HD1 LEU 30 HD13 LEU 30 2.158 4.192 2.187 209 1HD2 LEU 30 HD21 LEU 30 3.321 4.225 -0.670 210 2HD2 LEU 30 HD22 LEU 30 2.065 3.254 -1.441 211 3HD2 LEU 30 HD23 LEU 30 2.722 2.766 0.122 212 H GLN 31 HN GLN 31 -0.657 0.476 -1.320 213 HA GLN 31 HA GLN 31 -3.211 0.130 0.102 214 1HB GLN 31 HB2 GLN 31 -3.349 -0.278 -2.325 215 2HB GLN 31 HB1 GLN 31 -2.073 -1.481 -2.195 216 1HG GLN 31 HG2 GLN 31 -3.479 -2.906 -0.868 217 2HG GLN 31 HG1 GLN 31 -4.739 -1.675 -0.810 218 1HE2 GLN 31 HE21 GLN 31 -5.988 -1.287 -2.637 219 2HE2 GLN 31 HE22 GLN 31 -6.054 -2.400 -3.960 220 H ALA 32 HN ALA 32 -3.397 -1.490 1.584 221 HA ALA 32 HA ALA 32 -0.874 -2.538 2.583 222 1HB ALA 32 HB1 ALA 32 -3.636 -2.416 3.778 223 2HB ALA 32 HB2 ALA 32 -2.235 -1.443 4.212 224 3HB ALA 32 HB3 ALA 32 -2.257 -3.170 4.573 225 H LEU 33 HN LEU 33 -0.241 -4.434 1.775 226 HA LEU 33 HA LEU 33 -2.265 -6.562 1.513 227 1HB LEU 33 HB2 LEU 33 0.458 -6.343 0.220 228 2HB LEU 33 HB1 LEU 33 -0.566 -7.760 0.125 229 HG LEU 33 HG LEU 33 -0.934 -6.711 -1.906 230 1HD1 LEU 33 HD11 LEU 33 -3.195 -5.779 -1.846 231 2HD1 LEU 33 HD12 LEU 33 -3.083 -5.638 -0.091 232 3HD1 LEU 33 HD13 LEU 33 -3.050 -7.229 -0.853 233 1HD2 LEU 33 HD21 LEU 33 -1.274 -4.311 -2.193 234 2HD2 LEU 33 HD22 LEU 33 0.284 -4.674 -1.450 235 3HD2 LEU 33 HD23 LEU 33 -1.046 -4.078 -0.459 236 H CYS 34 HN CYS 34 -1.382 -8.808 2.088 237 HA CYS 34 HA CYS 34 0.313 -8.476 4.484 238 1HB CYS 34 HB2 CYS 34 -1.109 -10.169 5.618 239 2HB CYS 34 HB1 CYS 34 -1.982 -8.692 5.221 240 HA PRO 35 HA PRO 35 2.998 -11.732 3.272 241 1HB PRO 35 HB2 PRO 35 2.687 -13.421 5.512 242 2HB PRO 35 HB1 PRO 35 3.907 -12.163 5.297 243 1HG PRO 35 HG2 PRO 35 1.324 -12.068 6.770 244 2HG PRO 35 HG1 PRO 35 2.854 -11.244 7.122 245 1HD PRO 35 HD2 PRO 35 0.771 -9.920 6.088 246 2HD PRO 35 HD1 PRO 35 2.435 -9.551 5.583 247 H ASP 36 HN ASP 36 2.979 -13.723 2.318 248 HA ASP 36 HA ASP 36 2.115 -15.440 1.140 249 1HB ASP 36 HB2 ASP 36 0.473 -15.657 3.643 250 2HB ASP 36 HB1 ASP 36 0.184 -16.733 2.279 251 H CYS 37 HN CYS 37 -1.014 -14.576 2.556 252 HA CYS 37 HA CYS 37 -2.060 -14.474 -0.129 253 1HB CYS 37 HB2 CYS 37 -4.239 -14.526 0.824 254 2HB CYS 37 HB1 CYS 37 -3.251 -15.646 1.748 255 H ARG 38 HN ARG 38 -0.866 -12.659 -0.780 256 HA ARG 38 HA ARG 38 -1.392 -10.024 0.293 257 1HB ARG 38 HB2 ARG 38 -0.053 -10.807 -2.306 258 2HB ARG 38 HB1 ARG 38 0.018 -9.232 -1.526 259 1HG ARG 38 HG2 ARG 38 1.147 -10.327 0.408 260 2HG ARG 38 HG1 ARG 38 1.211 -11.810 -0.545 261 1HD ARG 38 HD2 ARG 38 2.494 -10.622 -2.273 262 2HD ARG 38 HD1 ARG 38 2.458 -9.164 -1.280 263 HE ARG 38 HE ARG 38 3.985 -11.604 -0.755 264 1HH1 ARG 38 HH11 ARG 38 3.082 -8.370 0.220 265 2HH1 ARG 38 HH12 ARG 38 4.387 -8.204 1.354 266 1HH2 ARG 38 HH21 ARG 38 5.712 -11.395 0.707 267 2HH2 ARG 38 HH22 ARG 38 5.914 -9.912 1.598 268 H GLN 39 HN GLN 39 -3.289 -12.011 -1.287 269 HA GLN 39 HA GLN 39 -4.621 -9.867 -2.796 270 1HB GLN 39 HB2 GLN 39 -5.133 -12.826 -3.158 271 2HB GLN 39 HB1 GLN 39 -5.728 -11.513 -4.158 272 1HG GLN 39 HG2 GLN 39 -3.423 -11.057 -4.885 273 2HG GLN 39 HG1 GLN 39 -2.872 -12.432 -3.924 274 1HE2 GLN 39 HE21 GLN 39 -4.523 -11.407 -6.782 275 2HE2 GLN 39 HE22 GLN 39 -4.645 -12.966 -7.525 276 HA PRO 40 HA PRO 40 -7.976 -11.992 0.046 277 1HB PRO 40 HB2 PRO 40 -6.209 -13.701 1.715 278 2HB PRO 40 HB1 PRO 40 -7.844 -14.012 1.118 279 1HG PRO 40 HG2 PRO 40 -5.764 -15.244 0.026 280 2HG PRO 40 HG1 PRO 40 -7.094 -14.647 -0.988 281 1HD PRO 40 HD2 PRO 40 -4.390 -13.441 -0.506 282 2HD PRO 40 HD1 PRO 40 -5.298 -13.595 -2.025 283 H LEU 41 HN LEU 41 -7.987 -9.978 0.789 284 HA LEU 41 HA LEU 41 -7.279 -9.771 3.594 285 1HB LEU 41 HB2 LEU 41 -6.475 -7.753 1.510 286 2HB LEU 41 HB1 LEU 41 -6.873 -7.227 3.133 287 HG LEU 41 HG LEU 41 -5.065 -9.161 3.687 288 1HD1 LEU 41 HD11 LEU 41 -4.624 -9.583 1.319 289 2HD1 LEU 41 HD12 LEU 41 -3.201 -8.983 2.177 290 3HD1 LEU 41 HD13 LEU 41 -4.120 -7.902 1.122 291 1HD2 LEU 41 HD21 LEU 41 -5.070 -6.893 4.574 292 2HD2 LEU 41 HD22 LEU 41 -4.457 -6.282 3.036 293 3HD2 LEU 41 HD23 LEU 41 -3.459 -7.355 4.020 294 H GLN 42 HN GLN 42 -8.793 -8.386 4.705 295 HA GLN 42 HA GLN 42 -11.280 -8.079 3.221 296 1HB GLN 42 HB2 GLN 42 -10.709 -7.679 6.165 297 2HB GLN 42 HB1 GLN 42 -12.299 -7.634 5.413 298 1HG GLN 42 HG2 GLN 42 -12.090 -9.968 4.782 299 2HG GLN 42 HG1 GLN 42 -10.469 -10.023 5.468 300 1HE2 GLN 42 HE21 GLN 42 -13.148 -8.307 6.927 301 2HE2 GLN 42 HE22 GLN 42 -13.306 -9.343 8.298 302 H VAL 43 HN VAL 43 -11.596 -6.249 2.173 303 HA VAL 43 HA VAL 43 -10.105 -3.874 2.815 304 HB VAL 43 HB VAL 43 -12.373 -4.104 0.834 305 1HG1 VAL 43 HG11 VAL 43 -10.020 -2.220 1.002 306 2HG1 VAL 43 HG12 VAL 43 -11.700 -1.825 1.374 307 3HG1 VAL 43 HG13 VAL 43 -11.235 -2.238 -0.277 308 1HG2 VAL 43 HG21 VAL 43 -9.439 -4.657 0.391 309 2HG2 VAL 43 HG22 VAL 43 -10.666 -4.559 -0.873 310 3HG2 VAL 43 HG23 VAL 43 -10.745 -5.839 0.336 311 H LEU 44 HN LEU 44 -10.767 -3.298 4.846 312 HA LEU 44 HA LEU 44 -13.585 -2.941 5.430 313 1HB LEU 44 HB2 LEU 44 -11.199 -2.328 7.176 314 2HB LEU 44 HB1 LEU 44 -12.861 -2.554 7.691 315 HG LEU 44 HG LEU 44 -11.219 -4.747 6.427 316 1HD1 LEU 44 HD11 LEU 44 -11.693 -4.241 9.360 317 2HD1 LEU 44 HD12 LEU 44 -10.161 -4.021 8.515 318 3HD1 LEU 44 HD13 LEU 44 -10.865 -5.631 8.658 319 1HD2 LEU 44 HD21 LEU 44 -13.784 -4.784 8.012 320 2HD2 LEU 44 HD22 LEU 44 -12.925 -6.201 7.407 321 3HD2 LEU 44 HD23 LEU 44 -13.627 -5.047 6.274 322 H LYS 45 HN LYS 45 -14.187 -1.228 4.129 323 HA LYS 45 HA LYS 45 -12.760 1.300 4.355 324 1HB LYS 45 HB2 LYS 45 -15.170 0.494 2.717 325 2HB LYS 45 HB1 LYS 45 -14.449 2.095 2.690 326 1HG LYS 45 HG2 LYS 45 -12.405 1.213 1.769 327 2HG LYS 45 HG1 LYS 45 -13.014 -0.439 1.918 328 1HD LYS 45 HD2 LYS 45 -14.795 0.055 0.336 329 2HD LYS 45 HD1 LYS 45 -14.253 1.729 0.221 330 1HE LYS 45 HE2 LYS 45 -12.543 -0.640 -0.514 331 2HE LYS 45 HE1 LYS 45 -13.548 0.233 -1.669 332 1HZ LYS 45 HZ1 LYS 45 -11.398 1.130 -1.842 333 2HZ LYS 45 HZ2 LYS 45 -11.206 1.253 -0.165 334 3HZ LYS 45 HZ3 LYS 45 -12.289 2.278 -0.969 335 H ALA 46 HN ALA 46 -13.165 2.052 6.408 336 HA ALA 46 HA ALA 46 -15.992 2.605 7.033 337 1HB ALA 46 HB1 ALA 46 -14.896 1.169 8.688 338 2HB ALA 46 HB2 ALA 46 -15.336 2.730 9.381 339 3HB ALA 46 HB3 ALA 46 -13.661 2.403 8.940 340 H CYS 47 HN CYS 47 -16.417 4.672 8.103 341 HA CYS 47 HA CYS 47 -15.189 6.813 6.720 342 1HB CYS 47 HB2 CYS 47 -16.586 8.220 8.333 343 2HB CYS 47 HB1 CYS 47 -17.457 7.113 7.278 344 HG CYS 47 HG CYS 47 -17.015 6.960 10.641 345 H GLY 48 HN GLY 48 -13.187 7.445 7.100 346 1HA GLY 48 HA2 GLY 48 -11.682 8.730 8.405 347 2HA GLY 48 HA1 GLY 48 -12.463 8.128 9.859 348 H ALA 49 HN ALA 49 -12.278 5.384 8.360 349 HA ALA 49 HA ALA 49 -9.448 4.843 8.780 350 1HB ALA 49 HB1 ALA 49 -9.857 3.056 10.381 351 2HB ALA 49 HB2 ALA 49 -11.584 3.419 10.366 352 3HB ALA 49 HB3 ALA 49 -10.439 4.599 11.005 353 H VAL 50 HN VAL 50 -9.176 4.154 6.714 354 HA VAL 50 HA VAL 50 -10.798 1.884 5.799 355 HB VAL 50 HB VAL 50 -8.811 3.546 4.232 356 1HG1 VAL 50 HG11 VAL 50 -9.028 1.290 3.359 357 2HG1 VAL 50 HG12 VAL 50 -9.786 2.447 2.267 358 3HG1 VAL 50 HG13 VAL 50 -10.783 1.451 3.327 359 1HG2 VAL 50 HG21 VAL 50 -11.827 3.622 4.211 360 2HG2 VAL 50 HG22 VAL 50 -10.764 4.535 3.141 361 3HG2 VAL 50 HG23 VAL 50 -10.764 4.862 4.873 362 H ASP 51 HN ASP 51 -9.978 -0.075 6.159 363 HA ASP 51 HA ASP 51 -7.049 -0.357 6.315 364 1HB ASP 51 HB2 ASP 51 -9.132 -1.319 8.260 365 2HB ASP 51 HB1 ASP 51 -7.579 -2.134 8.123 366 H TYR 52 HN TYR 52 -6.323 -1.827 4.917 367 HA TYR 52 HA TYR 52 -7.989 -4.074 4.116 368 1HB TYR 52 HB2 TYR 52 -5.077 -3.492 3.520 369 2HB TYR 52 HB1 TYR 52 -6.009 -4.807 2.829 370 HD1 TYR 52 HD2 TYR 52 -5.786 -1.097 2.975 371 HD2 TYR 52 HD1 TYR 52 -7.238 -4.499 0.871 372 HE1 TYR 52 HE2 TYR 52 -6.421 0.349 1.090 373 HE2 TYR 52 HE1 TYR 52 -7.871 -3.065 -1.020 374 HH TYR 52 HH TYR 52 -8.303 -0.850 -1.597 375 H PHE 53 HN PHE 53 -8.282 -5.524 5.733 376 HA PHE 53 HA PHE 53 -5.959 -6.381 7.290 377 1HB PHE 53 HB2 PHE 53 -7.047 -4.297 8.283 378 2HB PHE 53 HB1 PHE 53 -8.439 -5.311 8.636 379 HD1 PHE 53 HD2 PHE 53 -4.842 -4.834 9.326 380 HD2 PHE 53 HD1 PHE 53 -8.484 -6.673 10.545 381 HE1 PHE 53 HE2 PHE 53 -3.805 -5.461 11.465 382 HE2 PHE 53 HE1 PHE 53 -7.452 -7.298 12.690 383 HZ PHE 53 HZ PHE 53 -5.110 -6.691 13.149 384 H CYS 54 HN CYS 54 -6.043 -8.521 7.368 385 HA CYS 54 HA CYS 54 -8.440 -9.971 6.764 386 1HB CYS 54 HB2 CYS 54 -5.658 -10.875 7.546 387 2HB CYS 54 HB1 CYS 54 -6.964 -11.982 7.149 388 H GLN 55 HN GLN 55 -9.850 -10.809 8.167 389 HA GLN 55 HA GLN 55 -9.046 -11.026 10.995 390 1HB GLN 55 HB2 GLN 55 -11.804 -10.478 9.872 391 2HB GLN 55 HB1 GLN 55 -11.412 -10.655 11.578 392 1HG GLN 55 HG2 GLN 55 -10.036 -8.673 11.502 393 2HG GLN 55 HG1 GLN 55 -10.312 -8.518 9.769 394 1HE2 GLN 55 HE21 GLN 55 -10.885 -6.679 11.955 395 2HE2 GLN 55 HE22 GLN 55 -12.571 -6.323 11.851 396 H ASN 56 HN ASN 56 -10.916 -12.366 8.349 397 HA ASN 56 HA ASN 56 -10.988 -14.971 9.718 398 1HB ASN 56 HB2 ASN 56 -13.190 -14.082 9.044 399 2HB ASN 56 HB1 ASN 56 -12.632 -13.952 7.380 400 1HD2 ASN 56 HD21 ASN 56 -14.186 -15.319 6.580 401 2HD2 ASN 56 HD22 ASN 56 -14.179 -17.023 6.872 402 H GLY 57 HN GLY 57 -10.324 -16.829 8.556 403 1HA GLY 57 HA2 GLY 57 -9.334 -18.019 6.818 404 2HA GLY 57 HA1 GLY 57 -9.184 -16.524 5.909 405 H HIS 58 HN HIS 58 -7.484 -15.040 6.535 406 HA HIS 58 HA HIS 58 -5.045 -16.504 7.010 407 1HB HIS 58 HB2 HIS 58 -5.198 -14.725 5.286 408 2HB HIS 58 HB1 HIS 58 -5.456 -13.539 6.558 409 HD2 HIS 58 HD2 HIS 58 -2.631 -16.166 7.108 410 HE1 HIS 58 HE1 HIS 58 -0.821 -12.466 6.104 411 HE2 HIS 58 HE2 HIS 58 -0.422 -14.886 6.679 412 H GLY 59 HN GLY 59 -6.176 -13.421 8.416 413 1HA GLY 59 HA2 GLY 59 -6.565 -13.674 10.946 414 2HA GLY 59 HA1 GLY 59 -4.896 -14.237 10.935 415 H LEU 60 HN LEU 60 -5.473 -12.092 12.479 416 HA LEU 60 HA LEU 60 -5.231 -9.647 11.012 417 1HB LEU 60 HB2 LEU 60 -5.053 -8.567 13.209 418 2HB LEU 60 HB1 LEU 60 -6.439 -9.626 13.087 419 HG LEU 60 HG LEU 60 -4.840 -11.346 14.285 420 1HD1 LEU 60 HD11 LEU 60 -2.848 -9.937 14.238 421 2HD1 LEU 60 HD12 LEU 60 -3.362 -10.248 15.897 422 3HD1 LEU 60 HD13 LEU 60 -3.699 -8.688 15.147 423 1HD2 LEU 60 HD21 LEU 60 -6.175 -9.036 15.689 424 2HD2 LEU 60 HD22 LEU 60 -5.735 -10.576 16.428 425 3HD2 LEU 60 HD23 LEU 60 -6.958 -10.524 15.158 426 H ILE 61 HN ILE 61 -3.505 -8.481 10.536 427 HA ILE 61 HA ILE 61 -0.874 -9.546 11.313 428 HB ILE 61 HB ILE 61 -1.518 -7.762 8.952 429 1HG1 ILE 61 HG12 ILE 61 -2.564 -9.967 8.656 430 2HG1 ILE 61 HG11 ILE 61 -1.224 -9.746 7.535 431 1HG2 ILE 61 HG21 ILE 61 0.978 -9.294 9.672 432 2HG2 ILE 61 HG22 ILE 61 0.765 -7.545 9.741 433 3HG2 ILE 61 HG23 ILE 61 0.732 -8.375 8.186 434 1HD1 ILE 61 HD11 ILE 61 -1.144 -11.332 10.094 435 2HD1 ILE 61 HD12 ILE 61 0.200 -11.111 8.972 436 3HD1 ILE 61 HD13 ILE 61 -1.243 -11.990 8.460 437 H SER 62 HN SER 62 0.300 -8.302 12.660 438 HA SER 62 HA SER 62 -0.502 -5.861 13.702 439 1HB SER 62 HB2 SER 62 2.362 -6.797 13.395 440 2HB SER 62 HB1 SER 62 1.733 -5.686 14.612 441 HG SER 62 HG SER 62 0.999 -7.321 15.747 442 H LYS 63 HN LYS 63 -0.293 -3.762 13.050 443 HA LYS 63 HA LYS 63 -0.144 -3.321 10.289 444 1HB LYS 63 HB2 LYS 63 -1.508 -1.956 11.783 445 2HB LYS 63 HB1 LYS 63 -0.059 -1.311 12.541 446 1HG LYS 63 HG2 LYS 63 0.466 0.008 10.727 447 2HG LYS 63 HG1 LYS 63 -0.455 -0.990 9.602 448 1HD LYS 63 HD2 LYS 63 -1.695 0.712 11.762 449 2HD LYS 63 HD1 LYS 63 -1.488 1.231 10.088 450 1HE LYS 63 HE2 LYS 63 -2.827 -0.741 9.375 451 2HE LYS 63 HE1 LYS 63 -3.125 -1.102 11.074 452 1HZ LYS 63 HZ1 LYS 63 -3.904 1.419 9.703 453 2HZ LYS 63 HZ2 LYS 63 -4.250 1.005 11.311 454 3HZ LYS 63 HZ3 LYS 63 -4.955 0.127 10.037 455 H LYS 64 HN LYS 64 2.332 -3.207 12.712 456 HA LYS 64 HA LYS 64 4.208 -1.641 11.237 457 1HB LYS 64 HB2 LYS 64 4.201 -2.203 13.750 458 2HB LYS 64 HB1 LYS 64 4.922 -3.735 13.282 459 1HG LYS 64 HG2 LYS 64 6.777 -2.481 12.213 460 2HG LYS 64 HG1 LYS 64 6.073 -0.989 12.842 461 1HD LYS 64 HD2 LYS 64 6.218 -2.020 15.134 462 2HD LYS 64 HD1 LYS 64 7.163 -3.318 14.407 463 1HE LYS 64 HE2 LYS 64 7.869 -0.386 14.459 464 2HE LYS 64 HE1 LYS 64 8.629 -1.665 15.402 465 1HZ LYS 64 HZ1 LYS 64 10.076 -1.366 13.651 466 2HZ LYS 64 HZ2 LYS 64 8.846 -1.118 12.516 467 3HZ LYS 64 HZ3 LYS 64 9.146 -2.679 13.108 468 H ARG 65 HN ARG 65 2.989 -4.747 10.778 469 HA ARG 65 HA ARG 65 5.311 -5.493 9.123 470 1HB ARG 65 HB2 ARG 65 3.414 -7.244 10.677 471 2HB ARG 65 HB1 ARG 65 4.489 -7.868 9.434 472 1HG ARG 65 HG2 ARG 65 5.475 -6.330 11.820 473 2HG ARG 65 HG1 ARG 65 5.284 -8.083 11.814 474 1HD ARG 65 HD2 ARG 65 7.565 -7.594 11.313 475 2HD ARG 65 HD1 ARG 65 6.800 -8.172 9.838 476 HE ARG 65 HE ARG 65 6.738 -5.330 9.972 477 1HH1 ARG 65 HH11 ARG 65 8.816 -8.063 9.264 478 2HH1 ARG 65 HH12 ARG 65 9.910 -7.141 8.274 479 1HH2 ARG 65 HH21 ARG 65 8.164 -4.113 8.635 480 2HH2 ARG 65 HH22 ARG 65 9.547 -4.903 7.926 481 H VAL 66 HN VAL 66 2.259 -4.339 8.946 482 HA VAL 66 HA VAL 66 1.313 -5.882 6.702 483 HB VAL 66 HB VAL 66 0.378 -3.186 7.721 484 1HG1 VAL 66 HG11 VAL 66 -0.924 -5.115 5.807 485 2HG1 VAL 66 HG12 VAL 66 -0.226 -3.551 5.391 486 3HG1 VAL 66 HG13 VAL 66 -1.650 -3.633 6.429 487 1HG2 VAL 66 HG21 VAL 66 0.100 -4.955 9.382 488 2HG2 VAL 66 HG22 VAL 66 -0.750 -5.942 8.192 489 3HG2 VAL 66 HG23 VAL 66 -1.458 -4.425 8.747 490 H ASN 67 HN ASN 67 1.687 -5.478 4.576 491 HA ASN 67 HA ASN 67 3.801 -3.570 4.037 492 1HB ASN 67 HB2 ASN 67 2.544 -5.720 2.331 493 2HB ASN 67 HB1 ASN 67 3.763 -4.604 1.727 494 1HD2 ASN 67 HD21 ASN 67 5.160 -4.559 4.317 495 2HD2 ASN 67 HD22 ASN 67 6.003 -6.067 4.425 496 H PHE 68 HN PHE 68 2.747 -1.597 4.190 497 HA PHE 68 HA PHE 68 0.659 -0.928 2.320 498 1HB PHE 68 HB2 PHE 68 2.456 0.840 4.007 499 2HB PHE 68 HB1 PHE 68 1.098 1.416 3.049 500 HD1 PHE 68 HD1 PHE 68 2.094 -0.453 6.039 501 HD2 PHE 68 HD2 PHE 68 -1.163 1.093 3.780 502 HE1 PHE 68 HE1 PHE 68 0.593 -0.828 7.952 503 HE2 PHE 68 HE2 PHE 68 -2.669 0.719 5.688 504 HZ PHE 68 HZ PHE 68 -1.792 -0.242 7.778 505 H VAL 69 HN VAL 69 1.298 -1.231 0.243 506 HA VAL 69 HA VAL 69 3.819 0.061 -0.572 507 HB VAL 69 HB VAL 69 4.139 -1.730 -2.242 508 1HG1 VAL 69 HG11 VAL 69 5.299 -1.854 -0.107 509 2HG1 VAL 69 HG12 VAL 69 4.879 -3.467 -0.685 510 3HG1 VAL 69 HG13 VAL 69 3.932 -2.716 0.600 511 1HG2 VAL 69 HG21 VAL 69 2.858 -3.817 -2.049 512 2HG2 VAL 69 HG22 VAL 69 1.831 -2.453 -2.494 513 3HG2 VAL 69 HG23 VAL 69 1.823 -3.060 -0.839 514 H ILE 70 HN ILE 70 3.923 0.453 -2.938 515 HA ILE 70 HA ILE 70 1.546 1.802 -3.807 516 HB ILE 70 HB ILE 70 4.119 1.352 -5.335 517 1HG1 ILE 70 HG12 ILE 70 3.325 3.709 -3.609 518 2HG1 ILE 70 HG11 ILE 70 4.442 2.446 -3.109 519 1HG2 ILE 70 HG21 ILE 70 3.434 3.341 -6.591 520 2HG2 ILE 70 HG22 ILE 70 1.938 3.414 -5.660 521 3HG2 ILE 70 HG23 ILE 70 2.244 2.048 -6.733 522 1HD1 ILE 70 HD11 ILE 70 5.969 3.078 -4.890 523 2HD1 ILE 70 HD12 ILE 70 5.608 4.448 -3.838 524 3HD1 ILE 70 HD13 ILE 70 4.842 4.326 -5.423 525 H SER 71 HN SER 71 -0.078 0.568 -4.492 526 HA SER 71 HA SER 71 0.364 -2.008 -5.698 527 1HB SER 71 HB2 SER 71 -2.217 -1.925 -5.778 528 2HB SER 71 HB1 SER 71 -1.440 -1.936 -4.194 529 HG SER 71 HG SER 71 -2.530 0.288 -5.592 530 H ASP 72 HN ASP 72 1.169 0.449 -7.185 531 HA ASP 72 HA ASP 72 -0.526 0.093 -9.566 532 1HB ASP 72 HB2 ASP 72 -0.289 2.425 -8.317 533 2HB ASP 72 HB1 ASP 72 1.208 2.511 -9.240 534 H GLN 73 HN GLN 73 1.160 1.319 -11.399 535 HA GLN 73 HA GLN 73 2.850 0.888 -12.830 536 1HB GLN 73 HB2 GLN 73 4.279 -0.202 -10.400 537 2HB GLN 73 HB1 GLN 73 5.027 0.098 -11.962 538 1HG GLN 73 HG2 GLN 73 3.724 2.217 -10.268 539 2HG GLN 73 HG1 GLN 73 5.446 1.859 -10.263 540 1HE2 GLN 73 HE21 GLN 73 3.439 1.840 -13.162 541 2HE2 GLN 73 HE22 GLN 73 4.168 3.224 -13.890 542 H LEU 74 HN LEU 74 4.647 -1.375 -12.912 543 HA LEU 74 HA LEU 74 2.678 -3.508 -13.327 544 1HB LEU 74 HB2 LEU 74 4.626 -2.422 -15.338 545 2HB LEU 74 HB1 LEU 74 3.909 -4.013 -15.492 546 HG LEU 74 HG LEU 74 2.392 -1.404 -15.431 547 1HD1 LEU 74 HD11 LEU 74 1.928 -1.907 -17.781 548 2HD1 LEU 74 HD12 LEU 74 2.983 -3.317 -17.681 549 3HD1 LEU 74 HD13 LEU 74 3.654 -1.699 -17.485 550 1HD2 LEU 74 HD21 LEU 74 1.435 -4.230 -15.873 551 2HD2 LEU 74 HD22 LEU 74 0.453 -2.772 -16.016 552 3HD2 LEU 74 HD23 LEU 74 1.115 -3.239 -14.449 553 H GLU 75 HN GLU 75 3.257 -5.394 -12.635 554 HA GLU 75 HA GLU 75 5.952 -6.101 -11.932 555 1HB GLU 75 HB2 GLU 75 4.511 -7.304 -10.622 556 2HB GLU 75 HB1 GLU 75 3.247 -7.310 -11.837 557 1HG GLU 75 HG2 GLU 75 3.909 -9.550 -11.428 558 2HG GLU 75 HG1 GLU 75 4.476 -9.098 -13.030 559 H HIS 76 HN HIS 76 3.718 -6.639 -14.580 560 HA HIS 76 HA HIS 76 4.021 -7.060 -16.780 561 1HB HIS 76 HB2 HIS 76 5.871 -5.410 -16.590 562 2HB HIS 76 HB1 HIS 76 6.978 -6.725 -16.224 563 HD1 HIS 76 HD1 HIS 76 8.137 -7.746 -18.162 564 HD2 HIS 76 HD2 HIS 76 4.728 -5.655 -19.303 565 HE1 HIS 76 HE1 HIS 76 8.134 -7.771 -20.680 566 HE2 HIS 76 HE2 HIS 76 6.183 -6.319 -21.342 567 H HIS 77 HN HIS 77 4.742 -9.073 -14.416 568 HA HIS 77 HA HIS 77 5.077 -11.301 -14.209 569 1HB HIS 77 HB2 HIS 77 3.217 -11.512 -15.736 570 2HB HIS 77 HB1 HIS 77 4.253 -11.216 -17.123 571 HD1 HIS 77 HD1 HIS 77 3.707 -13.863 -14.435 572 HD2 HIS 77 HD2 HIS 77 5.224 -13.470 -18.294 573 HE1 HIS 77 HE1 HIS 77 4.198 -16.204 -15.223 574 HE2 HIS 77 HE2 HIS 77 5.238 -15.932 -17.505 575 H HIS 78 HN HIS 78 7.353 -10.719 -13.827 576 HA HIS 78 HA HIS 78 9.090 -11.481 -16.058 577 1HB HIS 78 HB2 HIS 78 10.986 -10.774 -14.527 578 2HB HIS 78 HB1 HIS 78 9.921 -9.502 -15.102 579 HD1 HIS 78 HD1 HIS 78 10.794 -11.428 -11.975 580 HD2 HIS 78 HD2 HIS 78 8.646 -8.067 -13.148 581 HE1 HIS 78 HE1 HIS 78 10.145 -10.259 -9.847 582 HE2 HIS 78 HE2 HIS 78 8.597 -8.418 -10.592 583 H HIS 79 HN HIS 79 7.798 -13.580 -15.468 584 HA HIS 79 HA HIS 79 9.697 -15.250 -13.964 585 1HB HIS 79 HB2 HIS 79 6.769 -15.623 -14.573 586 2HB HIS 79 HB1 HIS 79 7.796 -17.012 -14.229 587 HD1 HIS 79 HD1 HIS 79 7.201 -17.706 -11.916 588 HD2 HIS 79 HD2 HIS 79 7.624 -13.578 -12.258 589 HE1 HIS 79 HE1 HIS 79 6.942 -16.797 -9.586 590 HE2 HIS 79 HE2 HIS 79 6.967 -14.292 -9.862 591 H HIS 80 HN HIS 80 10.635 -16.990 -15.032 592 HA HIS 80 HA HIS 80 11.799 -17.836 -16.795 593 1HB HIS 80 HB2 HIS 80 9.432 -17.095 -18.542 594 2HB HIS 80 HB1 HIS 80 10.692 -18.265 -18.910 595 HD1 HIS 80 HD1 HIS 80 7.318 -18.119 -17.839 596 HD2 HIS 80 HD2 HIS 80 10.593 -20.482 -16.835 597 HE1 HIS 80 HE1 HIS 80 6.363 -20.184 -16.773 598 HE2 HIS 80 HE2 HIS 80 8.363 -21.523 -16.029 599 H HIS 81 HN HIS 81 10.082 -15.645 -18.886 600 HA HIS 81 HA HIS 81 11.387 -13.273 -18.495 601 1HB HIS 81 HB2 HIS 81 12.906 -13.189 -20.522 602 2HB HIS 81 HB1 HIS 81 13.503 -14.128 -19.165 603 HD1 HIS 81 HD1 HIS 81 12.161 -14.521 -22.657 604 HD2 HIS 81 HD2 HIS 81 13.978 -16.794 -19.692 605 HE1 HIS 81 HE1 HIS 81 12.837 -16.673 -23.773 606 HE2 HIS 81 HE2 HIS 81 14.123 -17.935 -22.005 Start of MODEL 14 1 1H MET 1 HT1 MET 1 16.246 -0.567 2.892 2 2H MET 1 HT2 MET 1 16.350 1.108 2.653 3 3H MET 1 HT3 MET 1 15.290 0.181 1.706 4 HA MET 1 HA MET 1 13.970 -0.357 3.632 5 1HB MET 1 HB2 MET 1 15.978 1.418 5.034 6 2HB MET 1 HB1 MET 1 14.430 0.963 5.731 7 1HG MET 1 HG2 MET 1 16.269 -0.406 6.575 8 2HG MET 1 HG1 MET 1 15.062 -1.362 5.720 9 1HE MET 1 HE1 MET 1 18.562 -3.119 5.060 10 2HE MET 1 HE2 MET 1 16.970 -3.310 5.795 11 3HE MET 1 HE3 MET 1 18.138 -2.190 6.497 12 H GLU 2 HN GLU 2 12.243 0.998 4.264 13 HA GLU 2 HA GLU 2 10.813 2.755 4.189 14 1HB GLU 2 HB2 GLU 2 12.763 4.129 4.938 15 2HB GLU 2 HB1 GLU 2 13.140 4.441 3.250 16 1HG GLU 2 HG2 GLU 2 11.944 6.303 4.256 17 2HG GLU 2 HG1 GLU 2 11.007 5.561 2.957 18 H ILE 3 HN ILE 3 9.550 3.973 2.681 19 HA ILE 3 HA ILE 3 9.552 2.868 0.051 20 HB ILE 3 HB ILE 3 7.758 4.623 -0.379 21 1HG1 ILE 3 HG12 ILE 3 8.073 5.033 2.604 22 2HG1 ILE 3 HG11 ILE 3 8.472 6.216 1.362 23 1HG2 ILE 3 HG21 ILE 3 7.388 2.675 1.896 24 2HG2 ILE 3 HG22 ILE 3 7.240 2.314 0.176 25 3HG2 ILE 3 HG23 ILE 3 6.090 3.404 0.950 26 1HD1 ILE 3 HD11 ILE 3 6.332 6.689 2.429 27 2HD1 ILE 3 HD12 ILE 3 5.724 5.117 1.909 28 3HD1 ILE 3 HD13 ILE 3 6.140 6.344 0.711 29 H THR 4 HN THR 4 10.478 3.583 -1.742 30 HA THR 4 HA THR 4 11.678 6.274 -1.715 31 HB THR 4 HB THR 4 12.928 4.007 -3.237 32 HG1 THR 4 HG1 THR 4 12.728 4.206 -0.512 33 1HG2 THR 4 HG21 THR 4 14.961 5.315 -2.879 34 2HG2 THR 4 HG22 THR 4 14.061 6.462 -1.887 35 3HG2 THR 4 HG23 THR 4 13.704 6.317 -3.608 36 H CYS 5 HN CYS 5 11.592 7.417 -3.652 37 HA CYS 5 HA CYS 5 9.557 6.598 -5.514 38 1HB CYS 5 HB2 CYS 5 9.840 8.963 -4.796 39 2HB CYS 5 HB1 CYS 5 11.407 8.997 -5.593 40 HA PRO 6 HA PRO 6 12.424 4.544 -8.230 41 1HB PRO 6 HB2 PRO 6 10.730 4.019 -10.253 42 2HB PRO 6 HB1 PRO 6 10.620 3.182 -8.700 43 1HG PRO 6 HG2 PRO 6 9.012 5.492 -9.726 44 2HG PRO 6 HG1 PRO 6 8.462 4.042 -8.865 45 1HD PRO 6 HD2 PRO 6 8.844 6.450 -7.647 46 2HD PRO 6 HD1 PRO 6 9.028 4.895 -6.812 47 H VAL 7 HN VAL 7 12.021 7.569 -8.326 48 HA VAL 7 HA VAL 7 13.061 7.972 -11.035 49 HB VAL 7 HB VAL 7 11.011 9.780 -9.723 50 1HG1 VAL 7 HG11 VAL 7 12.645 11.038 -11.007 51 2HG1 VAL 7 HG12 VAL 7 11.082 11.042 -11.824 52 3HG1 VAL 7 HG13 VAL 7 12.377 9.991 -12.402 53 1HG2 VAL 7 HG21 VAL 7 9.533 9.151 -11.572 54 2HG2 VAL 7 HG22 VAL 7 9.979 7.751 -10.598 55 3HG2 VAL 7 HG23 VAL 7 10.752 8.020 -12.159 56 H CYS 8 HN CYS 8 12.298 9.699 -8.033 57 HA CYS 8 HA CYS 8 15.048 10.703 -7.975 58 1HB CYS 8 HB2 CYS 8 14.178 12.297 -6.235 59 2HB CYS 8 HB1 CYS 8 13.479 12.515 -7.834 60 H HIS 9 HN HIS 9 16.367 9.546 -6.802 61 HA HIS 9 HA HIS 9 15.526 7.628 -4.882 62 1HB HIS 9 HB2 HIS 9 17.604 7.379 -6.187 63 2HB HIS 9 HB1 HIS 9 18.289 8.773 -5.362 64 HD1 HIS 9 HD1 HIS 9 20.009 7.955 -3.796 65 HD2 HIS 9 HD2 HIS 9 16.683 5.463 -3.866 66 HE1 HIS 9 HE1 HIS 9 20.463 6.171 -2.082 67 HE2 HIS 9 HE2 HIS 9 18.562 4.533 -2.350 68 H HIS 10 HN HIS 10 14.212 8.931 -3.529 69 HA HIS 10 HA HIS 10 15.709 10.037 -1.285 70 1HB HIS 10 HB2 HIS 10 13.881 11.577 -3.044 71 2HB HIS 10 HB1 HIS 10 13.650 11.799 -1.314 72 HD1 HIS 10 HD1 HIS 10 16.438 12.071 -3.900 73 HD2 HIS 10 HD2 HIS 10 15.338 13.590 -0.193 74 HE1 HIS 10 HE1 HIS 10 18.146 13.825 -3.350 75 HE2 HIS 10 HE2 HIS 10 17.573 14.592 -1.024 76 H ALA 11 HN ALA 11 14.367 10.168 0.669 77 HA ALA 11 HA ALA 11 12.671 7.832 0.794 78 1HB ALA 11 HB1 ALA 11 13.514 9.747 2.967 79 2HB ALA 11 HB2 ALA 11 14.326 8.239 2.542 80 3HB ALA 11 HB3 ALA 11 12.692 8.205 3.206 81 H LEU 12 HN LEU 12 10.530 7.806 0.783 82 HA LEU 12 HA LEU 12 9.099 10.341 0.646 83 1HB LEU 12 HB2 LEU 12 7.997 7.553 0.312 84 2HB LEU 12 HB1 LEU 12 7.242 9.055 -0.181 85 HG LEU 12 HG LEU 12 9.709 7.815 -1.407 86 1HD1 LEU 12 HD11 LEU 12 7.656 6.652 -1.993 87 2HD1 LEU 12 HD12 LEU 12 8.283 7.546 -3.378 88 3HD1 LEU 12 HD13 LEU 12 6.910 8.178 -2.467 89 1HD2 LEU 12 HD21 LEU 12 9.580 9.613 -3.049 90 2HD2 LEU 12 HD22 LEU 12 9.841 10.254 -1.426 91 3HD2 LEU 12 HD23 LEU 12 8.240 10.336 -2.157 92 H GLU 13 HN GLU 13 6.950 10.439 1.805 93 HA GLU 13 HA GLU 13 7.131 9.110 4.427 94 1HB GLU 13 HB2 GLU 13 7.281 11.828 3.975 95 2HB GLU 13 HB1 GLU 13 5.583 11.595 4.370 96 1HG GLU 13 HG2 GLU 13 7.874 10.640 6.072 97 2HG GLU 13 HG1 GLU 13 7.008 12.154 6.316 98 H ARG 14 HN ARG 14 5.147 8.558 5.426 99 HA ARG 14 HA ARG 14 3.147 7.780 3.446 100 1HB ARG 14 HB2 ARG 14 3.495 6.963 6.338 101 2HB ARG 14 HB1 ARG 14 2.232 6.360 5.279 102 1HG ARG 14 HG2 ARG 14 3.837 4.678 5.287 103 2HG ARG 14 HG1 ARG 14 4.127 5.538 3.776 104 1HD ARG 14 HD2 ARG 14 6.211 4.991 4.964 105 2HD ARG 14 HD1 ARG 14 5.984 6.729 4.771 106 HE ARG 14 HE ARG 14 5.273 6.777 7.123 107 1HH1 ARG 14 HH11 ARG 14 7.160 4.047 6.000 108 2HH1 ARG 14 HH12 ARG 14 7.697 3.608 7.595 109 1HH2 ARG 14 HH21 ARG 14 6.024 6.229 9.202 110 2HH2 ARG 14 HH22 ARG 14 7.077 4.865 9.402 111 H ASN 15 HN ASN 15 1.168 8.636 3.325 112 HA ASN 15 HA ASN 15 0.318 10.493 5.459 113 1HB ASN 15 HB2 ASN 15 0.035 10.613 2.473 114 2HB ASN 15 HB1 ASN 15 -1.152 11.414 3.491 115 1HD2 ASN 15 HD21 ASN 15 2.158 11.192 4.525 116 2HD2 ASN 15 HD22 ASN 15 2.553 12.859 4.268 117 H GLY 16 HN GLY 16 -0.128 7.663 5.463 118 1HA GLY 16 HA2 GLY 16 -1.971 6.438 6.223 119 2HA GLY 16 HA1 GLY 16 -3.037 7.672 5.569 120 H ASP 17 HN ASP 17 -3.855 7.451 3.549 121 HA ASP 17 HA ASP 17 -3.568 4.805 2.363 122 1HB ASP 17 HB2 ASP 17 -5.553 5.407 1.052 123 2HB ASP 17 HB1 ASP 17 -5.827 5.688 2.769 124 H THR 18 HN THR 18 -1.894 7.530 2.048 125 HA THR 18 HA THR 18 -1.206 6.971 -0.718 126 HB THR 18 HB THR 18 -2.979 8.705 -0.838 127 HG1 THR 18 HG1 THR 18 -0.931 8.627 -2.222 128 1HG2 THR 18 HG21 THR 18 -2.521 10.974 -0.038 129 2HG2 THR 18 HG22 THR 18 -1.020 10.413 0.699 130 3HG2 THR 18 HG23 THR 18 -2.569 9.820 1.296 131 H ALA 19 HN ALA 19 0.865 7.811 -1.318 132 HA ALA 19 HA ALA 19 2.540 8.581 0.983 133 1HB ALA 19 HB1 ALA 19 3.159 6.438 -0.058 134 2HB ALA 19 HB2 ALA 19 4.434 7.645 -0.220 135 3HB ALA 19 HB3 ALA 19 3.399 7.265 -1.596 136 H HIS 20 HN HIS 20 3.988 10.289 0.762 137 HA HIS 20 HA HIS 20 3.304 12.117 -1.440 138 1HB HIS 20 HB2 HIS 20 2.758 13.045 0.714 139 2HB HIS 20 HB1 HIS 20 4.359 12.671 1.340 140 HD1 HIS 20 HD1 HIS 20 2.736 14.917 -1.272 141 HD2 HIS 20 HD2 HIS 20 6.155 14.691 1.087 142 HE1 HIS 20 HE1 HIS 20 3.966 17.083 -1.641 143 HE2 HIS 20 HE2 HIS 20 5.920 16.994 -0.053 144 H CYS 21 HN CYS 21 4.790 12.830 -2.812 145 HA CYS 21 HA CYS 21 7.590 12.031 -2.374 146 1HB CYS 21 HB2 CYS 21 6.275 11.252 -4.448 147 2HB CYS 21 HB1 CYS 21 6.372 12.927 -4.991 148 H GLU 22 HN GLU 22 8.977 13.630 -1.844 149 HA GLU 22 HA GLU 22 8.192 16.377 -1.913 150 1HB GLU 22 HB2 GLU 22 10.909 15.153 -1.392 151 2HB GLU 22 HB1 GLU 22 10.483 16.834 -1.111 152 1HG GLU 22 HG2 GLU 22 9.256 14.461 0.276 153 2HG GLU 22 HG1 GLU 22 10.490 15.522 0.947 154 H THR 23 HN THR 23 11.259 15.162 -3.230 155 HA THR 23 HA THR 23 11.372 16.948 -5.390 156 HB THR 23 HB THR 23 12.734 14.648 -6.212 157 HG1 THR 23 HG1 THR 23 13.458 14.914 -3.523 158 1HG2 THR 23 HG21 THR 23 14.737 15.854 -5.512 159 2HG2 THR 23 HG22 THR 23 13.760 16.921 -4.505 160 3HG2 THR 23 HG23 THR 23 13.583 16.959 -6.261 161 H CYS 24 HN CYS 24 10.542 16.836 -7.468 162 HA CYS 24 HA CYS 24 8.708 16.598 -8.757 163 1HB CYS 24 HB2 CYS 24 8.452 14.532 -9.925 164 2HB CYS 24 HB1 CYS 24 10.165 14.746 -9.623 165 H ALA 25 HN ALA 25 7.112 17.341 -7.527 166 HA ALA 25 HA ALA 25 5.991 16.132 -5.286 167 1HB ALA 25 HB1 ALA 25 5.793 18.518 -5.774 168 2HB ALA 25 HB2 ALA 25 4.213 17.783 -5.493 169 3HB ALA 25 HB3 ALA 25 4.734 18.151 -7.136 170 H LYS 26 HN LYS 26 4.825 14.387 -5.126 171 HA LYS 26 HA LYS 26 2.690 13.828 -6.995 172 1HB LYS 26 HB2 LYS 26 5.196 12.258 -6.877 173 2HB LYS 26 HB1 LYS 26 3.706 11.329 -6.892 174 1HG LYS 26 HG2 LYS 26 3.030 12.518 -8.947 175 2HG LYS 26 HG1 LYS 26 4.597 13.331 -8.952 176 1HD LYS 26 HD2 LYS 26 5.756 11.325 -9.334 177 2HD LYS 26 HD1 LYS 26 4.366 10.339 -8.875 178 1HE LYS 26 HE2 LYS 26 4.594 12.073 -11.330 179 2HE LYS 26 HE1 LYS 26 4.694 10.312 -11.288 180 1HZ LYS 26 HZ1 LYS 26 2.387 10.406 -10.275 181 2HZ LYS 26 HZ2 LYS 26 2.513 10.784 -11.918 182 3HZ LYS 26 HZ3 LYS 26 2.334 12.027 -10.776 183 H ASP 27 HN ASP 27 1.216 12.280 -6.246 184 HA ASP 27 HA ASP 27 1.599 11.330 -3.496 185 1HB ASP 27 HB2 ASP 27 -0.831 11.695 -3.077 186 2HB ASP 27 HB1 ASP 27 0.056 13.192 -3.326 187 H PHE 28 HN PHE 28 1.623 9.214 -3.512 188 HA PHE 28 HA PHE 28 0.454 7.809 -5.805 189 1HB PHE 28 HB2 PHE 28 2.386 6.789 -3.712 190 2HB PHE 28 HB1 PHE 28 1.900 5.948 -5.178 191 HD1 PHE 28 HD1 PHE 28 2.609 6.843 -7.396 192 HD2 PHE 28 HD2 PHE 28 4.119 8.385 -3.726 193 HE1 PHE 28 HE1 PHE 28 4.501 7.857 -8.601 194 HE2 PHE 28 HE2 PHE 28 6.009 9.403 -4.926 195 HZ PHE 28 HZ PHE 28 6.202 9.139 -7.367 196 H SER 29 HN SER 29 -1.220 6.411 -5.589 197 HA SER 29 HA SER 29 -2.619 6.233 -3.108 198 1HB SER 29 HB2 SER 29 -3.711 6.139 -5.377 199 2HB SER 29 HB1 SER 29 -3.017 4.533 -5.587 200 HG SER 29 HG SER 29 -4.870 5.367 -3.595 201 H LEU 30 HN LEU 30 -2.323 4.808 -1.503 202 HA LEU 30 HA LEU 30 -0.368 2.679 -1.975 203 1HB LEU 30 HB2 LEU 30 -0.967 4.450 0.284 204 2HB LEU 30 HB1 LEU 30 -0.687 2.779 0.736 205 HG LEU 30 HG LEU 30 1.517 2.806 -0.220 206 1HD1 LEU 30 HD11 LEU 30 0.862 5.580 -1.197 207 2HD1 LEU 30 HD12 LEU 30 1.089 4.142 -2.193 208 3HD1 LEU 30 HD13 LEU 30 2.446 4.812 -1.286 209 1HD2 LEU 30 HD21 LEU 30 2.596 4.538 1.125 210 2HD2 LEU 30 HD22 LEU 30 1.319 3.721 2.027 211 3HD2 LEU 30 HD23 LEU 30 1.036 5.328 1.359 212 H GLN 31 HN GLN 31 -0.672 0.623 -1.324 213 HA GLN 31 HA GLN 31 -3.419 -0.174 -0.610 214 1HB GLN 31 HB2 GLN 31 -2.893 -0.635 -2.988 215 2HB GLN 31 HB1 GLN 31 -1.499 -1.577 -2.485 216 1HG GLN 31 HG2 GLN 31 -2.994 -3.151 -1.345 217 2HG GLN 31 HG1 GLN 31 -4.381 -2.214 -1.905 218 1HE2 GLN 31 HE21 GLN 31 -3.652 -4.994 -2.433 219 2HE2 GLN 31 HE22 GLN 31 -3.537 -5.134 -4.158 220 H ALA 32 HN ALA 32 -3.538 -1.452 1.136 221 HA ALA 32 HA ALA 32 -1.113 -2.054 2.569 222 1HB ALA 32 HB1 ALA 32 -2.633 -2.808 4.353 223 2HB ALA 32 HB2 ALA 32 -4.001 -2.544 3.273 224 3HB ALA 32 HB3 ALA 32 -3.010 -1.183 3.788 225 H LEU 33 HN LEU 33 -0.025 -3.861 2.434 226 HA LEU 33 HA LEU 33 -1.439 -6.382 1.861 227 1HB LEU 33 HB2 LEU 33 0.013 -5.273 -0.046 228 2HB LEU 33 HB1 LEU 33 1.356 -5.899 0.886 229 HG LEU 33 HG LEU 33 0.516 -8.176 0.615 230 1HD1 LEU 33 HD11 LEU 33 -1.362 -8.635 -0.879 231 2HD1 LEU 33 HD12 LEU 33 -1.649 -6.904 -1.061 232 3HD1 LEU 33 HD13 LEU 33 -1.875 -7.676 0.509 233 1HD2 LEU 33 HD21 LEU 33 0.827 -8.315 -1.863 234 2HD2 LEU 33 HD22 LEU 33 2.074 -7.392 -1.024 235 3HD2 LEU 33 HD23 LEU 33 0.799 -6.553 -1.909 236 H CYS 34 HN CYS 34 -0.291 -8.288 2.837 237 HA CYS 34 HA CYS 34 1.338 -7.357 5.094 238 1HB CYS 34 HB2 CYS 34 0.418 -9.299 6.386 239 2HB CYS 34 HB1 CYS 34 -0.750 -8.041 6.005 240 HA PRO 35 HA PRO 35 4.518 -9.782 3.319 241 1HB PRO 35 HB2 PRO 35 6.240 -9.619 5.423 242 2HB PRO 35 HB1 PRO 35 5.948 -8.281 4.307 243 1HG PRO 35 HG2 PRO 35 4.796 -8.764 7.030 244 2HG PRO 35 HG1 PRO 35 5.398 -7.253 6.322 245 1HD PRO 35 HD2 PRO 35 2.754 -7.833 6.460 246 2HD PRO 35 HD1 PRO 35 3.451 -6.889 5.129 247 H ASP 36 HN ASP 36 2.724 -10.622 6.063 248 HA ASP 36 HA ASP 36 4.156 -12.923 6.901 249 1HB ASP 36 HB2 ASP 36 1.332 -11.987 7.375 250 2HB ASP 36 HB1 ASP 36 1.977 -13.468 8.077 251 H CYS 37 HN CYS 37 1.631 -12.370 4.534 252 HA CYS 37 HA CYS 37 2.049 -15.091 3.568 253 1HB CYS 37 HB2 CYS 37 -0.343 -15.536 3.335 254 2HB CYS 37 HB1 CYS 37 0.110 -15.314 5.018 255 H ARG 38 HN ARG 38 0.777 -11.859 3.021 256 HA ARG 38 HA ARG 38 0.373 -10.637 1.160 257 1HB ARG 38 HB2 ARG 38 2.665 -11.213 0.517 258 2HB ARG 38 HB1 ARG 38 2.113 -12.718 -0.199 259 1HG ARG 38 HG2 ARG 38 0.888 -11.475 -1.893 260 2HG ARG 38 HG1 ARG 38 1.374 -9.953 -1.142 261 1HD ARG 38 HD2 ARG 38 2.757 -10.478 -3.092 262 2HD ARG 38 HD1 ARG 38 3.709 -10.448 -1.608 263 HE ARG 38 HE ARG 38 2.946 -13.081 -1.990 264 1HH1 ARG 38 HH11 ARG 38 4.814 -10.696 -3.757 265 2HH1 ARG 38 HH12 ARG 38 5.880 -11.874 -4.457 266 1HH2 ARG 38 HH21 ARG 38 4.338 -14.621 -2.918 267 2HH2 ARG 38 HH22 ARG 38 5.613 -14.104 -3.985 268 H GLN 39 HN GLN 39 -1.058 -13.171 1.988 269 HA GLN 39 HA GLN 39 -2.446 -13.968 -0.437 270 1HB GLN 39 HB2 GLN 39 -2.345 -14.895 2.386 271 2HB GLN 39 HB1 GLN 39 -3.855 -15.154 1.532 272 1HG GLN 39 HG2 GLN 39 -2.388 -17.099 1.471 273 2HG GLN 39 HG1 GLN 39 -2.730 -16.477 -0.140 274 1HE2 GLN 39 HE21 GLN 39 -0.373 -17.058 2.281 275 2HE2 GLN 39 HE22 GLN 39 1.023 -16.666 1.330 276 HA PRO 40 HA PRO 40 -4.752 -10.230 -0.724 277 1HB PRO 40 HB2 PRO 40 -6.935 -12.236 -1.154 278 2HB PRO 40 HB1 PRO 40 -6.553 -10.779 -2.078 279 1HG PRO 40 HG2 PRO 40 -5.740 -13.358 -2.738 280 2HG PRO 40 HG1 PRO 40 -5.027 -11.865 -3.360 281 1HD PRO 40 HD2 PRO 40 -3.770 -13.796 -1.707 282 2HD PRO 40 HD1 PRO 40 -3.139 -12.196 -2.148 283 H LEU 41 HN LEU 41 -4.984 -9.253 1.189 284 HA LEU 41 HA LEU 41 -5.641 -10.487 3.555 285 1HB LEU 41 HB2 LEU 41 -5.675 -7.596 2.756 286 2HB LEU 41 HB1 LEU 41 -6.104 -8.095 4.381 287 HG LEU 41 HG LEU 41 -3.825 -9.234 4.484 288 1HD1 LEU 41 HD11 LEU 41 -3.293 -9.282 2.130 289 2HD1 LEU 41 HD12 LEU 41 -2.100 -8.320 3.008 290 3HD1 LEU 41 HD13 LEU 41 -3.352 -7.519 2.057 291 1HD2 LEU 41 HD21 LEU 41 -4.308 -7.177 5.671 292 2HD2 LEU 41 HD22 LEU 41 -3.939 -6.238 4.223 293 3HD2 LEU 41 HD23 LEU 41 -2.666 -7.155 5.028 294 H GLN 42 HN GLN 42 -7.688 -7.825 2.604 295 HA GLN 42 HA GLN 42 -10.107 -8.980 2.107 296 1HB GLN 42 HB2 GLN 42 -9.983 -10.136 4.261 297 2HB GLN 42 HB1 GLN 42 -9.673 -8.619 5.086 298 1HG GLN 42 HG2 GLN 42 -11.962 -9.388 5.407 299 2HG GLN 42 HG1 GLN 42 -11.902 -7.842 4.567 300 1HE2 GLN 42 HE21 GLN 42 -12.669 -7.691 2.503 301 2HE2 GLN 42 HE22 GLN 42 -13.508 -8.978 1.703 302 H VAL 43 HN VAL 43 -10.736 -7.216 1.048 303 HA VAL 43 HA VAL 43 -10.080 -4.596 1.956 304 HB VAL 43 HB VAL 43 -10.176 -4.890 -0.398 305 1HG1 VAL 43 HG11 VAL 43 -12.212 -5.566 -1.586 306 2HG1 VAL 43 HG12 VAL 43 -13.005 -5.847 -0.035 307 3HG1 VAL 43 HG13 VAL 43 -11.611 -6.822 -0.502 308 1HG2 VAL 43 HG21 VAL 43 -10.936 -2.718 0.322 309 2HG2 VAL 43 HG22 VAL 43 -12.584 -3.317 0.508 310 3HG2 VAL 43 HG23 VAL 43 -11.856 -3.220 -1.096 311 H LEU 44 HN LEU 44 -10.999 -3.699 3.578 312 HA LEU 44 HA LEU 44 -13.787 -4.331 4.262 313 1HB LEU 44 HB2 LEU 44 -11.587 -3.141 5.965 314 2HB LEU 44 HB1 LEU 44 -13.181 -3.623 6.521 315 HG LEU 44 HG LEU 44 -11.261 -5.602 5.310 316 1HD1 LEU 44 HD11 LEU 44 -10.178 -4.529 7.248 317 2HD1 LEU 44 HD12 LEU 44 -10.560 -6.226 7.538 318 3HD1 LEU 44 HD13 LEU 44 -11.572 -4.958 8.240 319 1HD2 LEU 44 HD21 LEU 44 -12.626 -7.208 6.551 320 2HD2 LEU 44 HD22 LEU 44 -13.597 -6.271 5.415 321 3HD2 LEU 44 HD23 LEU 44 -13.640 -5.891 7.138 322 H LYS 45 HN LYS 45 -15.231 -2.790 3.731 323 HA LYS 45 HA LYS 45 -14.186 -0.067 3.301 324 1HB LYS 45 HB2 LYS 45 -16.799 -1.064 2.196 325 2HB LYS 45 HB1 LYS 45 -15.830 0.295 1.654 326 1HG LYS 45 HG2 LYS 45 -15.291 -1.127 -0.001 327 2HG LYS 45 HG1 LYS 45 -14.108 -1.711 1.173 328 1HD LYS 45 HD2 LYS 45 -15.535 -3.503 1.834 329 2HD LYS 45 HD1 LYS 45 -16.886 -2.849 0.907 330 1HE LYS 45 HE2 LYS 45 -15.557 -3.203 -1.163 331 2HE LYS 45 HE1 LYS 45 -14.318 -3.989 -0.182 332 1HZ LYS 45 HZ1 LYS 45 -15.779 -5.618 -1.184 333 2HZ LYS 45 HZ2 LYS 45 -17.137 -4.884 -0.478 334 3HZ LYS 45 HZ3 LYS 45 -15.972 -5.630 0.503 335 H ALA 46 HN ALA 46 -15.118 1.661 4.273 336 HA ALA 46 HA ALA 46 -17.559 1.156 5.844 337 1HB ALA 46 HB1 ALA 46 -15.714 1.688 7.321 338 2HB ALA 46 HB2 ALA 46 -16.862 3.027 7.303 339 3HB ALA 46 HB3 ALA 46 -15.353 3.145 6.396 340 H CYS 47 HN CYS 47 -16.207 4.318 5.250 341 HA CYS 47 HA CYS 47 -17.928 4.771 2.945 342 1HB CYS 47 HB2 CYS 47 -19.281 5.375 4.958 343 2HB CYS 47 HB1 CYS 47 -18.041 6.540 5.403 344 HG CYS 47 HG CYS 47 -18.429 8.165 3.156 345 H GLY 48 HN GLY 48 -16.178 5.108 1.647 346 1HA GLY 48 HA2 GLY 48 -14.608 6.563 0.671 347 2HA GLY 48 HA1 GLY 48 -14.565 7.486 2.169 348 H ALA 49 HN ALA 49 -14.055 5.508 3.999 349 HA ALA 49 HA ALA 49 -11.255 5.070 3.625 350 1HB ALA 49 HB1 ALA 49 -13.093 4.110 5.818 351 2HB ALA 49 HB2 ALA 49 -12.177 5.617 5.823 352 3HB ALA 49 HB3 ALA 49 -11.330 4.070 5.855 353 H VAL 50 HN VAL 50 -10.301 3.373 2.774 354 HA VAL 50 HA VAL 50 -11.786 0.837 2.558 355 HB VAL 50 HB VAL 50 -9.699 1.900 0.638 356 1HG1 VAL 50 HG11 VAL 50 -11.383 -0.598 0.514 357 2HG1 VAL 50 HG12 VAL 50 -9.649 -0.528 0.826 358 3HG1 VAL 50 HG13 VAL 50 -10.284 -0.033 -0.744 359 1HG2 VAL 50 HG21 VAL 50 -11.533 2.086 -0.971 360 2HG2 VAL 50 HG22 VAL 50 -11.801 3.117 0.435 361 3HG2 VAL 50 HG23 VAL 50 -12.679 1.596 0.278 362 H ASP 51 HN ASP 51 -10.919 -0.716 3.757 363 HA ASP 51 HA ASP 51 -8.072 -0.505 4.479 364 1HB ASP 51 HB2 ASP 51 -10.440 -1.641 5.942 365 2HB ASP 51 HB1 ASP 51 -8.808 -2.161 6.339 366 H TYR 52 HN TYR 52 -6.847 -2.437 4.624 367 HA TYR 52 HA TYR 52 -8.010 -4.831 3.361 368 1HB TYR 52 HB2 TYR 52 -5.150 -3.916 2.935 369 2HB TYR 52 HB1 TYR 52 -5.947 -5.286 2.181 370 HD1 TYR 52 HD2 TYR 52 -7.500 -4.956 0.328 371 HD2 TYR 52 HD1 TYR 52 -5.536 -1.654 2.158 372 HE1 TYR 52 HE2 TYR 52 -8.122 -3.533 -1.581 373 HE2 TYR 52 HE1 TYR 52 -6.150 -0.225 0.255 374 HH TYR 52 HH TYR 52 -6.772 -0.411 -2.063 375 H PHE 53 HN PHE 53 -8.064 -6.284 4.980 376 HA PHE 53 HA PHE 53 -5.763 -6.645 6.756 377 1HB PHE 53 HB2 PHE 53 -7.536 -4.779 7.503 378 2HB PHE 53 HB1 PHE 53 -8.380 -6.197 8.108 379 HD1 PHE 53 HD1 PHE 53 -4.853 -4.932 8.108 380 HD2 PHE 53 HD2 PHE 53 -8.092 -6.577 10.326 381 HE1 PHE 53 HE1 PHE 53 -3.495 -4.835 10.153 382 HE2 PHE 53 HE2 PHE 53 -6.739 -6.488 12.372 383 HZ PHE 53 HZ PHE 53 -4.438 -5.614 12.290 384 H CYS 54 HN CYS 54 -5.522 -8.806 6.850 385 HA CYS 54 HA CYS 54 -7.570 -10.647 6.132 386 1HB CYS 54 HB2 CYS 54 -4.884 -11.046 7.482 387 2HB CYS 54 HB1 CYS 54 -5.963 -12.376 7.104 388 H GLN 55 HN GLN 55 -9.334 -10.205 7.499 389 HA GLN 55 HA GLN 55 -8.984 -10.112 10.337 390 1HB GLN 55 HB2 GLN 55 -10.736 -8.839 9.083 391 2HB GLN 55 HB1 GLN 55 -11.561 -10.362 8.786 392 1HG GLN 55 HG2 GLN 55 -12.094 -10.648 11.043 393 2HG GLN 55 HG1 GLN 55 -10.922 -9.436 11.563 394 1HE2 GLN 55 HE21 GLN 55 -14.067 -9.983 10.191 395 2HE2 GLN 55 HE22 GLN 55 -14.645 -8.358 10.373 396 H ASN 56 HN ASN 56 -9.932 -12.501 7.998 397 HA ASN 56 HA ASN 56 -9.899 -14.528 10.125 398 1HB ASN 56 HB2 ASN 56 -11.763 -14.439 7.738 399 2HB ASN 56 HB1 ASN 56 -11.604 -15.809 8.829 400 1HD2 ASN 56 HD21 ASN 56 -13.917 -14.165 8.191 401 2HD2 ASN 56 HD22 ASN 56 -14.477 -13.514 9.696 402 H GLY 57 HN GLY 57 -9.498 -16.760 9.156 403 1HA GLY 57 HA2 GLY 57 -8.357 -18.189 7.727 404 2HA GLY 57 HA1 GLY 57 -8.162 -16.854 6.597 405 H HIS 58 HN HIS 58 -6.658 -15.068 7.540 406 HA HIS 58 HA HIS 58 -4.206 -16.421 8.371 407 1HB HIS 58 HB2 HIS 58 -3.952 -14.986 6.446 408 2HB HIS 58 HB1 HIS 58 -4.704 -13.638 7.290 409 HD2 HIS 58 HD2 HIS 58 -1.718 -15.727 8.810 410 HE1 HIS 58 HE1 HIS 58 -0.454 -11.731 8.161 411 HE2 HIS 58 HE2 HIS 58 0.095 -13.936 9.258 412 H GLY 59 HN GLY 59 -5.649 -13.249 9.159 413 1HA GLY 59 HA2 GLY 59 -6.376 -13.142 11.607 414 2HA GLY 59 HA1 GLY 59 -4.720 -13.651 11.921 415 H LEU 60 HN LEU 60 -6.026 -11.209 12.753 416 HA LEU 60 HA LEU 60 -5.409 -8.993 11.180 417 1HB LEU 60 HB2 LEU 60 -5.514 -7.679 13.241 418 2HB LEU 60 HB1 LEU 60 -6.835 -8.820 13.143 419 HG LEU 60 HG LEU 60 -4.371 -9.409 14.772 420 1HD1 LEU 60 HD11 LEU 60 -6.880 -8.009 15.685 421 2HD1 LEU 60 HD12 LEU 60 -5.286 -7.271 15.528 422 3HD1 LEU 60 HD13 LEU 60 -5.555 -8.545 16.716 423 1HD2 LEU 60 HD21 LEU 60 -5.871 -11.284 14.266 424 2HD2 LEU 60 HD22 LEU 60 -7.224 -10.380 14.948 425 3HD2 LEU 60 HD23 LEU 60 -5.888 -10.884 15.984 426 H ILE 61 HN ILE 61 -3.575 -8.261 10.485 427 HA ILE 61 HA ILE 61 -1.069 -9.260 11.489 428 HB ILE 61 HB ILE 61 -1.488 -7.137 9.373 429 1HG1 ILE 61 HG12 ILE 61 -0.979 -9.263 7.869 430 2HG1 ILE 61 HG11 ILE 61 -1.715 -10.111 9.224 431 1HG2 ILE 61 HG21 ILE 61 0.787 -7.283 10.228 432 2HG2 ILE 61 HG22 ILE 61 0.705 -7.848 8.558 433 3HG2 ILE 61 HG23 ILE 61 0.818 -9.011 9.880 434 1HD1 ILE 61 HD11 ILE 61 -2.985 -7.927 7.589 435 2HD1 ILE 61 HD12 ILE 61 -3.727 -8.735 8.970 436 3HD1 ILE 61 HD13 ILE 61 -3.353 -9.650 7.508 437 H SER 62 HN SER 62 0.577 -7.999 12.440 438 HA SER 62 HA SER 62 -0.092 -5.881 14.112 439 1HB SER 62 HB2 SER 62 2.604 -6.415 12.829 440 2HB SER 62 HB1 SER 62 2.314 -5.487 14.301 441 HG SER 62 HG SER 62 1.160 -7.718 14.797 442 H LYS 63 HN LYS 63 -0.686 -3.872 13.665 443 HA LYS 63 HA LYS 63 -1.205 -3.032 11.069 444 1HB LYS 63 HB2 LYS 63 -2.422 -2.237 13.035 445 2HB LYS 63 HB1 LYS 63 -0.994 -1.376 13.591 446 1HG LYS 63 HG2 LYS 63 -1.103 0.105 11.685 447 2HG LYS 63 HG1 LYS 63 -2.468 -0.803 11.029 448 1HD LYS 63 HD2 LYS 63 -3.845 -0.173 12.905 449 2HD LYS 63 HD1 LYS 63 -2.475 0.612 13.692 450 1HE LYS 63 HE2 LYS 63 -3.632 1.437 11.034 451 2HE LYS 63 HE1 LYS 63 -4.028 2.194 12.577 452 1HZ LYS 63 HZ1 LYS 63 -2.328 3.436 11.391 453 2HZ LYS 63 HZ2 LYS 63 -1.318 2.075 11.356 454 3HZ LYS 63 HZ3 LYS 63 -1.705 2.804 12.836 455 H LYS 64 HN LYS 64 1.622 -2.436 13.074 456 HA LYS 64 HA LYS 64 2.618 -0.469 11.165 457 1HB LYS 64 HB2 LYS 64 3.639 -1.422 13.834 458 2HB LYS 64 HB1 LYS 64 4.564 -0.343 12.795 459 1HG LYS 64 HG2 LYS 64 2.708 1.273 12.851 460 2HG LYS 64 HG1 LYS 64 1.831 0.202 13.944 461 1HD LYS 64 HD2 LYS 64 4.570 1.292 14.552 462 2HD LYS 64 HD1 LYS 64 3.081 2.110 15.024 463 1HE LYS 64 HE2 LYS 64 2.414 0.200 16.351 464 2HE LYS 64 HE1 LYS 64 3.829 -0.702 15.809 465 1HZ LYS 64 HZ1 LYS 64 4.007 0.352 18.058 466 2HZ LYS 64 HZ2 LYS 64 4.023 1.862 17.287 467 3HZ LYS 64 HZ3 LYS 64 5.258 0.737 16.982 468 H ARG 65 HN ARG 65 2.477 -3.648 10.991 469 HA ARG 65 HA ARG 65 5.103 -3.795 9.656 470 1HB ARG 65 HB2 ARG 65 4.758 -5.458 11.515 471 2HB ARG 65 HB1 ARG 65 3.441 -6.151 10.579 472 1HG ARG 65 HG2 ARG 65 4.988 -6.719 8.788 473 2HG ARG 65 HG1 ARG 65 6.314 -5.976 9.679 474 1HD ARG 65 HD2 ARG 65 6.413 -8.355 9.976 475 2HD ARG 65 HD1 ARG 65 5.941 -7.612 11.502 476 HE ARG 65 HE ARG 65 3.973 -8.855 9.678 477 1HH1 ARG 65 HH11 ARG 65 5.418 -8.474 12.840 478 2HH1 ARG 65 HH12 ARG 65 4.203 -9.416 13.655 479 1HH2 ARG 65 HH21 ARG 65 2.406 -10.129 10.712 480 2HH2 ARG 65 HH22 ARG 65 2.476 -10.362 12.433 481 H VAL 66 HN VAL 66 1.922 -3.299 9.131 482 HA VAL 66 HA VAL 66 1.483 -4.884 6.793 483 HB VAL 66 HB VAL 66 0.106 -2.315 7.611 484 1HG1 VAL 66 HG11 VAL 66 -0.240 -2.863 5.264 485 2HG1 VAL 66 HG12 VAL 66 -1.725 -3.108 6.183 486 3HG1 VAL 66 HG13 VAL 66 -0.746 -4.494 5.705 487 1HG2 VAL 66 HG21 VAL 66 -1.641 -3.764 8.544 488 2HG2 VAL 66 HG22 VAL 66 -0.096 -3.989 9.362 489 3HG2 VAL 66 HG23 VAL 66 -0.651 -5.179 8.184 490 H ASN 67 HN ASN 67 2.380 -4.570 4.860 491 HA ASN 67 HA ASN 67 3.961 -2.198 4.417 492 1HB ASN 67 HB2 ASN 67 3.548 -4.704 2.789 493 2HB ASN 67 HB1 ASN 67 4.514 -3.347 2.220 494 1HD2 ASN 67 HD21 ASN 67 6.463 -2.868 3.267 495 2HD2 ASN 67 HD22 ASN 67 7.257 -4.019 4.277 496 H PHE 68 HN PHE 68 2.630 -0.499 4.110 497 HA PHE 68 HA PHE 68 0.577 -0.520 2.100 498 1HB PHE 68 HB2 PHE 68 1.906 1.748 3.606 499 2HB PHE 68 HB1 PHE 68 0.589 1.971 2.462 500 HD1 PHE 68 HD2 PHE 68 1.508 0.563 5.739 501 HD2 PHE 68 HD1 PHE 68 -1.657 1.495 3.053 502 HE1 PHE 68 HE2 PHE 68 -0.122 0.197 7.540 503 HE2 PHE 68 HE1 PHE 68 -3.295 1.130 4.850 504 HZ PHE 68 HZ PHE 68 -2.527 0.478 7.099 505 H VAL 69 HN VAL 69 1.361 -1.024 0.138 506 HA VAL 69 HA VAL 69 3.777 0.358 -0.802 507 HB VAL 69 HB VAL 69 3.859 -1.347 -2.589 508 1HG1 VAL 69 HG11 VAL 69 5.096 -1.712 -0.524 509 2HG1 VAL 69 HG12 VAL 69 4.495 -3.241 -1.166 510 3HG1 VAL 69 HG13 VAL 69 3.684 -2.480 0.203 511 1HG2 VAL 69 HG21 VAL 69 1.468 -1.838 -2.741 512 2HG2 VAL 69 HG22 VAL 69 1.514 -2.585 -1.144 513 3HG2 VAL 69 HG23 VAL 69 2.405 -3.309 -2.483 514 H ILE 70 HN ILE 70 3.809 1.058 -3.068 515 HA ILE 70 HA ILE 70 1.540 2.650 -3.691 516 HB ILE 70 HB ILE 70 3.955 1.997 -5.392 517 1HG1 ILE 70 HG12 ILE 70 3.374 4.397 -3.641 518 2HG1 ILE 70 HG11 ILE 70 4.464 3.083 -3.217 519 1HG2 ILE 70 HG21 ILE 70 3.362 4.031 -6.641 520 2HG2 ILE 70 HG22 ILE 70 1.891 4.180 -5.680 521 3HG2 ILE 70 HG23 ILE 70 2.107 2.797 -6.753 522 1HD1 ILE 70 HD11 ILE 70 5.885 3.663 -5.119 523 2HD1 ILE 70 HD12 ILE 70 5.691 5.011 -3.998 524 3HD1 ILE 70 HD13 ILE 70 4.796 4.992 -5.517 525 H SER 71 HN SER 71 -0.275 1.967 -4.596 526 HA SER 71 HA SER 71 -0.488 -0.659 -5.698 527 1HB SER 71 HB2 SER 71 -2.303 0.532 -4.406 528 2HB SER 71 HB1 SER 71 -2.550 1.555 -5.820 529 HG SER 71 HG SER 71 -3.044 -1.207 -5.497 530 H ASP 72 HN ASP 72 0.480 -1.028 -7.575 531 HA ASP 72 HA ASP 72 -0.325 0.538 -9.898 532 1HB ASP 72 HB2 ASP 72 1.786 1.561 -9.187 533 2HB ASP 72 HB1 ASP 72 2.563 -0.021 -9.181 534 H GLN 73 HN GLN 73 -0.262 -0.635 -11.836 535 HA GLN 73 HA GLN 73 -0.048 -3.537 -11.393 536 1HB GLN 73 HB2 GLN 73 -1.859 -2.034 -13.292 537 2HB GLN 73 HB1 GLN 73 -1.769 -3.782 -13.150 538 1HG GLN 73 HG2 GLN 73 -3.670 -3.184 -11.951 539 2HG GLN 73 HG1 GLN 73 -2.444 -3.460 -10.719 540 1HE2 GLN 73 HE21 GLN 73 -3.497 -2.200 -9.216 541 2HE2 GLN 73 HE22 GLN 73 -3.586 -0.475 -9.331 542 H LEU 74 HN LEU 74 1.787 -1.246 -12.751 543 HA LEU 74 HA LEU 74 2.316 -2.857 -15.149 544 1HB LEU 74 HB2 LEU 74 0.894 -1.074 -15.895 545 2HB LEU 74 HB1 LEU 74 1.894 0.120 -15.090 546 HG LEU 74 HG LEU 74 3.757 -0.465 -16.643 547 1HD1 LEU 74 HD11 LEU 74 1.628 -2.079 -18.040 548 2HD1 LEU 74 HD12 LEU 74 3.059 -2.719 -17.233 549 3HD1 LEU 74 HD13 LEU 74 3.232 -1.719 -18.675 550 1HD2 LEU 74 HD21 LEU 74 2.344 1.467 -17.055 551 2HD2 LEU 74 HD22 LEU 74 1.186 0.457 -17.921 552 3HD2 LEU 74 HD23 LEU 74 2.806 0.700 -18.575 553 H GLU 75 HN GLU 75 4.249 -3.635 -14.291 554 HA GLU 75 HA GLU 75 6.409 -1.653 -14.256 555 1HB GLU 75 HB2 GLU 75 6.648 -3.311 -12.524 556 2HB GLU 75 HB1 GLU 75 6.385 -4.621 -13.665 557 1HG GLU 75 HG2 GLU 75 8.720 -4.481 -13.056 558 2HG GLU 75 HG1 GLU 75 8.509 -4.099 -14.761 559 H HIS 76 HN HIS 76 7.669 -1.350 -15.982 560 HA HIS 76 HA HIS 76 6.805 -2.455 -18.501 561 1HB HIS 76 HB2 HIS 76 9.212 -0.705 -17.924 562 2HB HIS 76 HB1 HIS 76 8.462 -0.973 -19.494 563 HD1 HIS 76 HD1 HIS 76 8.014 0.900 -16.285 564 HD2 HIS 76 HD2 HIS 76 6.149 0.529 -19.979 565 HE1 HIS 76 HE1 HIS 76 6.342 2.770 -16.385 566 HE2 HIS 76 HE2 HIS 76 5.128 2.447 -18.568 567 H HIS 77 HN HIS 77 9.818 -2.384 -16.710 568 HA HIS 77 HA HIS 77 10.242 -5.172 -16.859 569 1HB HIS 77 HB2 HIS 77 11.013 -4.269 -19.187 570 2HB HIS 77 HB1 HIS 77 12.365 -3.579 -18.295 571 HD1 HIS 77 HD1 HIS 77 10.809 -6.920 -19.133 572 HD2 HIS 77 HD2 HIS 77 14.377 -5.356 -17.672 573 HE1 HIS 77 HE1 HIS 77 12.423 -8.846 -19.080 574 HE2 HIS 77 HE2 HIS 77 14.491 -7.928 -17.977 575 H HIS 78 HN HIS 78 11.877 -5.726 -15.304 576 HA HIS 78 HA HIS 78 11.907 -3.654 -13.314 577 1HB HIS 78 HB2 HIS 78 11.416 -6.133 -12.937 578 2HB HIS 78 HB1 HIS 78 13.159 -6.374 -13.017 579 HD1 HIS 78 HD1 HIS 78 10.806 -4.056 -11.107 580 HD2 HIS 78 HD2 HIS 78 14.269 -6.293 -10.563 581 HE1 HIS 78 HE1 HIS 78 11.446 -3.739 -8.694 582 HE2 HIS 78 HE2 HIS 78 13.685 -4.893 -8.470 583 H HIS 79 HN HIS 79 13.716 -3.417 -15.707 584 HA HIS 79 HA HIS 79 16.322 -3.347 -14.429 585 1HB HIS 79 HB2 HIS 79 16.222 -3.961 -16.807 586 2HB HIS 79 HB1 HIS 79 15.485 -2.408 -17.186 587 HD1 HIS 79 HD1 HIS 79 18.719 -3.632 -15.553 588 HD2 HIS 79 HD2 HIS 79 17.298 -0.587 -18.010 589 HE1 HIS 79 HE1 HIS 79 20.729 -2.245 -16.149 590 HE2 HIS 79 HE2 HIS 79 19.874 -0.535 -17.796 591 H HIS 80 HN HIS 80 15.357 -1.989 -12.751 592 HA HIS 80 HA HIS 80 15.628 0.853 -13.460 593 1HB HIS 80 HB2 HIS 80 13.554 -0.412 -11.655 594 2HB HIS 80 HB1 HIS 80 13.920 1.309 -11.627 595 HD1 HIS 80 HD1 HIS 80 11.454 -0.799 -12.939 596 HD2 HIS 80 HD2 HIS 80 13.759 2.250 -14.583 597 HE1 HIS 80 HE1 HIS 80 10.209 -0.029 -14.973 598 HE2 HIS 80 HE2 HIS 80 11.751 1.622 -16.085 599 H HIS 81 HN HIS 81 17.243 -1.425 -12.252 600 HA HIS 81 HA HIS 81 18.275 0.116 -9.988 601 1HB HIS 81 HB2 HIS 81 16.910 -1.630 -8.982 602 2HB HIS 81 HB1 HIS 81 17.686 -2.856 -9.977 603 HD1 HIS 81 HD1 HIS 81 19.745 -3.926 -9.053 604 HD2 HIS 81 HD2 HIS 81 18.689 -0.481 -6.990 605 HE1 HIS 81 HE1 HIS 81 21.265 -3.848 -7.057 606 HE2 HIS 81 HE2 HIS 81 20.743 -1.651 -5.938 Start of MODEL 15 1 1H MET 1 HT1 MET 1 6.661 7.457 8.935 2 2H MET 1 HT2 MET 1 7.436 6.688 7.638 3 3H MET 1 HT3 MET 1 6.947 8.306 7.490 4 HA MET 1 HA MET 1 8.500 8.946 9.223 5 1HB MET 1 HB2 MET 1 8.610 6.898 10.480 6 2HB MET 1 HB1 MET 1 9.212 6.012 9.087 7 1HG MET 1 HG2 MET 1 11.272 7.361 9.158 8 2HG MET 1 HG1 MET 1 10.667 8.164 10.605 9 1HE MET 1 HE1 MET 1 13.067 7.452 11.644 10 2HE MET 1 HE2 MET 1 13.486 6.516 10.209 11 3HE MET 1 HE3 MET 1 13.592 5.778 11.808 12 H GLU 2 HN GLU 2 9.242 6.508 6.727 13 HA GLU 2 HA GLU 2 11.020 8.478 5.471 14 1HB GLU 2 HB2 GLU 2 12.384 6.912 6.784 15 2HB GLU 2 HB1 GLU 2 11.651 5.556 5.942 16 1HG GLU 2 HG2 GLU 2 12.692 6.166 3.895 17 2HG GLU 2 HG1 GLU 2 13.245 7.698 4.569 18 H ILE 3 HN ILE 3 10.125 5.107 4.772 19 HA ILE 3 HA ILE 3 9.057 4.105 3.047 20 HB ILE 3 HB ILE 3 7.948 6.825 2.343 21 1HG1 ILE 3 HG12 ILE 3 6.734 4.647 4.063 22 2HG1 ILE 3 HG11 ILE 3 7.436 6.138 4.683 23 1HG2 ILE 3 HG21 ILE 3 7.022 4.042 1.636 24 2HG2 ILE 3 HG22 ILE 3 7.746 5.216 0.537 25 3HG2 ILE 3 HG23 ILE 3 6.164 5.534 1.250 26 1HD1 ILE 3 HD11 ILE 3 5.735 7.428 3.504 27 2HD1 ILE 3 HD12 ILE 3 5.014 6.259 4.609 28 3HD1 ILE 3 HD13 ILE 3 5.037 5.934 2.877 29 H THR 4 HN THR 4 9.607 7.244 1.582 30 HA THR 4 HA THR 4 10.791 8.019 -0.150 31 HB THR 4 HB THR 4 13.010 7.204 -0.608 32 HG1 THR 4 HG1 THR 4 12.034 4.862 0.512 33 1HG2 THR 4 HG21 THR 4 12.811 8.557 1.353 34 2HG2 THR 4 HG22 THR 4 13.949 7.256 1.703 35 3HG2 THR 4 HG23 THR 4 12.298 7.174 2.318 36 H CYS 5 HN CYS 5 10.717 7.989 -2.307 37 HA CYS 5 HA CYS 5 9.558 5.661 -3.582 38 1HB CYS 5 HB2 CYS 5 9.850 7.416 -5.603 39 2HB CYS 5 HB1 CYS 5 8.473 7.435 -4.504 40 HA PRO 6 HA PRO 6 13.308 3.912 -5.187 41 1HB PRO 6 HB2 PRO 6 12.303 3.151 -7.677 42 2HB PRO 6 HB1 PRO 6 12.221 2.190 -6.197 43 1HG PRO 6 HG2 PRO 6 10.151 3.950 -7.437 44 2HG PRO 6 HG1 PRO 6 9.954 2.392 -6.612 45 1HD PRO 6 HD2 PRO 6 9.328 4.687 -5.396 46 2HD PRO 6 HD1 PRO 6 10.089 3.355 -4.500 47 H VAL 7 HN VAL 7 11.415 6.032 -7.270 48 HA VAL 7 HA VAL 7 13.910 7.202 -8.300 49 HB VAL 7 HB VAL 7 12.549 8.163 -10.133 50 1HG1 VAL 7 HG11 VAL 7 12.167 6.084 -11.381 51 2HG1 VAL 7 HG12 VAL 7 12.318 5.167 -9.882 52 3HG1 VAL 7 HG13 VAL 7 13.701 6.059 -10.514 53 1HG2 VAL 7 HG21 VAL 7 10.390 8.257 -9.003 54 2HG2 VAL 7 HG22 VAL 7 10.309 6.495 -8.987 55 3HG2 VAL 7 HG23 VAL 7 10.260 7.366 -10.520 56 H CYS 8 HN CYS 8 13.755 9.645 -8.549 57 HA CYS 8 HA CYS 8 13.795 11.544 -7.247 58 1HB CYS 8 HB2 CYS 8 11.507 12.509 -6.851 59 2HB CYS 8 HB1 CYS 8 11.791 11.996 -8.519 60 H HIS 9 HN HIS 9 14.566 9.602 -5.712 61 HA HIS 9 HA HIS 9 13.160 8.571 -3.627 62 1HB HIS 9 HB2 HIS 9 15.568 8.141 -4.393 63 2HB HIS 9 HB1 HIS 9 16.023 9.450 -3.312 64 HD1 HIS 9 HD1 HIS 9 16.331 8.866 -0.878 65 HD2 HIS 9 HD2 HIS 9 14.453 5.850 -3.044 66 HE1 HIS 9 HE1 HIS 9 16.208 6.894 0.668 67 HE2 HIS 9 HE2 HIS 9 14.845 5.186 -0.580 68 H HIS 10 HN HIS 10 15.614 10.819 -2.570 69 HA HIS 10 HA HIS 10 15.758 11.741 -0.497 70 1HB HIS 10 HB2 HIS 10 14.866 13.515 -2.142 71 2HB HIS 10 HB1 HIS 10 13.364 13.380 -1.241 72 HD1 HIS 10 HD1 HIS 10 13.338 15.536 0.085 73 HD2 HIS 10 HD2 HIS 10 16.986 13.534 0.322 74 HE1 HIS 10 HE1 HIS 10 14.718 16.816 1.743 75 HE2 HIS 10 HE2 HIS 10 16.925 15.608 1.866 76 H ALA 11 HN ALA 11 12.265 12.169 -0.510 77 HA ALA 11 HA ALA 11 11.854 10.091 1.437 78 1HB ALA 11 HB1 ALA 11 11.492 12.970 2.260 79 2HB ALA 11 HB2 ALA 11 12.750 11.880 2.843 80 3HB ALA 11 HB3 ALA 11 11.057 11.552 3.216 81 H LEU 12 HN LEU 12 9.550 10.063 2.194 82 HA LEU 12 HA LEU 12 7.726 11.308 0.255 83 1HB LEU 12 HB2 LEU 12 7.685 8.464 1.254 84 2HB LEU 12 HB1 LEU 12 6.301 9.225 0.498 85 HG LEU 12 HG LEU 12 8.970 8.638 -0.779 86 1HD1 LEU 12 HD11 LEU 12 7.473 6.723 -0.576 87 2HD1 LEU 12 HD12 LEU 12 7.633 7.229 -2.259 88 3HD1 LEU 12 HD13 LEU 12 6.181 7.641 -1.350 89 1HD2 LEU 12 HD21 LEU 12 8.036 9.606 -2.814 90 2HD2 LEU 12 HD22 LEU 12 8.141 10.809 -1.529 91 3HD2 LEU 12 HD23 LEU 12 6.585 10.082 -1.930 92 H GLU 13 HN GLU 13 5.718 11.900 1.020 93 HA GLU 13 HA GLU 13 5.526 12.049 3.956 94 1HB GLU 13 HB2 GLU 13 5.696 14.210 2.721 95 2HB GLU 13 HB1 GLU 13 4.208 13.806 1.873 96 1HG GLU 13 HG2 GLU 13 3.192 13.594 4.233 97 2HG GLU 13 HG1 GLU 13 4.610 14.507 4.749 98 H ARG 14 HN ARG 14 3.627 11.453 4.971 99 HA ARG 14 HA ARG 14 1.821 9.799 3.432 100 1HB ARG 14 HB2 ARG 14 2.038 10.462 6.360 101 2HB ARG 14 HB1 ARG 14 0.644 9.609 5.713 102 1HG ARG 14 HG2 ARG 14 3.503 8.695 5.551 103 2HG ARG 14 HG1 ARG 14 2.267 8.069 6.644 104 1HD ARG 14 HD2 ARG 14 2.269 7.911 3.633 105 2HD ARG 14 HD1 ARG 14 2.513 6.577 4.759 106 HE ARG 14 HE ARG 14 -0.031 8.070 4.560 107 1HH1 ARG 14 HH11 ARG 14 1.750 5.074 4.864 108 2HH1 ARG 14 HH12 ARG 14 0.330 4.084 4.924 109 1HH2 ARG 14 HH21 ARG 14 -1.912 6.778 4.623 110 2HH2 ARG 14 HH22 ARG 14 -1.760 5.055 4.783 111 H ASN 15 HN ASN 15 0.534 10.966 2.145 112 HA ASN 15 HA ASN 15 -0.792 13.348 3.165 113 1HB ASN 15 HB2 ASN 15 0.133 13.188 0.805 114 2HB ASN 15 HB1 ASN 15 -1.148 12.031 0.460 115 1HD2 ASN 15 HD21 ASN 15 -1.472 14.859 2.525 116 2HD2 ASN 15 HD22 ASN 15 -2.571 15.708 1.497 117 H GLY 16 HN GLY 16 -1.548 11.490 4.761 118 1HA GLY 16 HA2 GLY 16 -3.430 10.519 5.666 119 2HA GLY 16 HA1 GLY 16 -4.342 11.120 4.287 120 H ASP 17 HN ASP 17 -4.980 9.729 2.787 121 HA ASP 17 HA ASP 17 -4.365 6.917 3.116 122 1HB ASP 17 HB2 ASP 17 -6.086 6.543 1.445 123 2HB ASP 17 HB1 ASP 17 -6.674 7.721 2.615 124 H THR 18 HN THR 18 -3.110 9.506 1.367 125 HA THR 18 HA THR 18 -2.202 7.796 -0.847 126 HB THR 18 HB THR 18 -2.156 10.818 -0.790 127 HG1 THR 18 HG1 THR 18 -4.317 9.105 -1.032 128 1HG2 THR 18 HG21 THR 18 -2.224 10.577 -3.231 129 2HG2 THR 18 HG22 THR 18 -2.238 8.821 -3.055 130 3HG2 THR 18 HG23 THR 18 -0.829 9.750 -2.539 131 H ALA 19 HN ALA 19 0.007 8.203 -1.639 132 HA ALA 19 HA ALA 19 1.821 9.070 0.518 133 1HB ALA 19 HB1 ALA 19 2.383 7.214 -1.801 134 2HB ALA 19 HB2 ALA 19 2.106 6.720 -0.131 135 3HB ALA 19 HB3 ALA 19 3.530 7.676 -0.542 136 H HIS 20 HN HIS 20 2.551 11.040 0.193 137 HA HIS 20 HA HIS 20 2.512 12.129 -2.526 138 1HB HIS 20 HB2 HIS 20 1.256 13.346 -0.799 139 2HB HIS 20 HB1 HIS 20 2.719 13.509 0.162 140 HD1 HIS 20 HD1 HIS 20 1.314 14.633 -3.187 141 HD2 HIS 20 HD2 HIS 20 4.179 15.750 -0.370 142 HE1 HIS 20 HE1 HIS 20 2.174 16.885 -3.933 143 HE2 HIS 20 HE2 HIS 20 3.811 17.592 -2.144 144 H CYS 21 HN CYS 21 4.317 12.791 -3.555 145 HA CYS 21 HA CYS 21 6.864 12.084 -2.430 146 1HB CYS 21 HB2 CYS 21 5.921 13.161 -5.058 147 2HB CYS 21 HB1 CYS 21 7.628 13.266 -4.650 148 H GLU 22 HN GLU 22 8.317 13.375 -1.489 149 HA GLU 22 HA GLU 22 7.420 15.934 -0.590 150 1HB GLU 22 HB2 GLU 22 8.639 14.464 0.896 151 2HB GLU 22 HB1 GLU 22 10.024 14.463 -0.188 152 1HG GLU 22 HG2 GLU 22 9.488 17.151 0.394 153 2HG GLU 22 HG1 GLU 22 9.373 16.276 1.922 154 H THR 23 HN THR 23 10.312 14.926 -2.456 155 HA THR 23 HA THR 23 10.731 17.737 -3.181 156 HB THR 23 HB THR 23 12.634 16.541 -2.162 157 HG1 THR 23 HG1 THR 23 13.072 18.178 -3.719 158 1HG2 THR 23 HG21 THR 23 12.140 14.285 -2.923 159 2HG2 THR 23 HG22 THR 23 13.772 14.750 -3.397 160 3HG2 THR 23 HG23 THR 23 12.472 14.754 -4.591 161 H CYS 24 HN CYS 24 8.753 15.779 -4.256 162 HA CYS 24 HA CYS 24 9.380 15.997 -7.094 163 1HB CYS 24 HB2 CYS 24 8.220 13.439 -6.726 164 2HB CYS 24 HB1 CYS 24 9.858 13.810 -7.266 165 H ALA 25 HN ALA 25 7.563 16.325 -8.345 166 HA ALA 25 HA ALA 25 5.071 16.729 -6.922 167 1HB ALA 25 HB1 ALA 25 5.789 18.369 -8.598 168 2HB ALA 25 HB2 ALA 25 4.232 17.650 -9.012 169 3HB ALA 25 HB3 ALA 25 5.695 17.128 -9.847 170 H LYS 26 HN LYS 26 4.739 14.518 -6.348 171 HA LYS 26 HA LYS 26 3.376 12.989 -8.408 172 1HB LYS 26 HB2 LYS 26 5.806 12.330 -8.506 173 2HB LYS 26 HB1 LYS 26 5.662 11.767 -6.848 174 1HG LYS 26 HG2 LYS 26 5.269 9.799 -7.848 175 2HG LYS 26 HG1 LYS 26 3.622 10.426 -7.959 176 1HD LYS 26 HD2 LYS 26 4.089 9.675 -10.123 177 2HD LYS 26 HD1 LYS 26 4.370 11.417 -10.200 178 1HE LYS 26 HE2 LYS 26 6.734 11.116 -10.044 179 2HE LYS 26 HE1 LYS 26 6.544 9.393 -9.718 180 1HZ LYS 26 HZ1 LYS 26 5.774 10.738 -12.251 181 2HZ LYS 26 HZ2 LYS 26 5.687 9.077 -11.936 182 3HZ LYS 26 HZ3 LYS 26 7.196 9.852 -12.016 183 H ASP 27 HN ASP 27 1.914 11.505 -7.566 184 HA ASP 27 HA ASP 27 1.857 11.143 -4.653 185 1HB ASP 27 HB2 ASP 27 -0.553 11.695 -6.409 186 2HB ASP 27 HB1 ASP 27 -0.629 11.225 -4.715 187 H PHE 28 HN PHE 28 1.744 9.050 -4.092 188 HA PHE 28 HA PHE 28 1.219 7.110 -6.246 189 1HB PHE 28 HB2 PHE 28 2.772 6.741 -3.679 190 2HB PHE 28 HB1 PHE 28 2.530 5.514 -4.915 191 HD1 PHE 28 HD1 PHE 28 3.251 6.407 -7.372 192 HD2 PHE 28 HD2 PHE 28 4.792 7.756 -3.643 193 HE1 PHE 28 HE1 PHE 28 5.319 7.130 -8.492 194 HE2 PHE 28 HE2 PHE 28 6.856 8.484 -4.756 195 HZ PHE 28 HZ PHE 28 7.123 8.177 -7.179 196 H SER 29 HN SER 29 -0.109 5.355 -5.902 197 HA SER 29 HA SER 29 -1.959 5.521 -3.667 198 1HB SER 29 HB2 SER 29 -1.833 3.523 -5.945 199 2HB SER 29 HB1 SER 29 -3.185 3.769 -4.838 200 HG SER 29 HG SER 29 -2.903 6.095 -5.749 201 H LEU 30 HN LEU 30 -1.933 4.132 -1.933 202 HA LEU 30 HA LEU 30 0.321 2.252 -1.864 203 1HB LEU 30 HB2 LEU 30 -1.170 3.617 0.373 204 2HB LEU 30 HB1 LEU 30 0.035 2.367 0.625 205 HG LEU 30 HG LEU 30 0.533 5.057 -0.656 206 1HD1 LEU 30 HD11 LEU 30 0.144 5.232 1.732 207 2HD1 LEU 30 HD12 LEU 30 1.846 5.506 1.356 208 3HD1 LEU 30 HD13 LEU 30 1.330 3.962 2.034 209 1HD2 LEU 30 HD21 LEU 30 2.433 2.818 0.024 210 2HD2 LEU 30 HD22 LEU 30 2.895 4.418 -0.556 211 3HD2 LEU 30 HD23 LEU 30 1.968 3.335 -1.596 212 H GLN 31 HN GLN 31 -0.012 0.150 -1.687 213 HA GLN 31 HA GLN 31 -2.746 -0.786 -1.118 214 1HB GLN 31 HB2 GLN 31 -1.858 -1.330 -3.376 215 2HB GLN 31 HB1 GLN 31 -0.529 -2.197 -2.621 216 1HG GLN 31 HG2 GLN 31 -2.149 -3.740 -1.597 217 2HG GLN 31 HG1 GLN 31 -3.451 -2.892 -2.430 218 1HE2 GLN 31 HE21 GLN 31 -4.076 -4.693 -3.591 219 2HE2 GLN 31 HE22 GLN 31 -3.133 -5.339 -4.885 220 H ALA 32 HN ALA 32 -2.888 -1.395 0.945 221 HA ALA 32 HA ALA 32 -0.591 -2.331 2.414 222 1HB ALA 32 HB1 ALA 32 -3.483 -2.105 3.249 223 2HB ALA 32 HB2 ALA 32 -2.232 -0.885 3.498 224 3HB ALA 32 HB3 ALA 32 -2.122 -2.441 4.320 225 H LEU 33 HN LEU 33 0.058 -4.310 1.722 226 HA LEU 33 HA LEU 33 -1.980 -6.422 1.483 227 1HB LEU 33 HB2 LEU 33 -0.321 -5.755 -0.421 228 2HB LEU 33 HB1 LEU 33 0.847 -6.662 0.515 229 HG LEU 33 HG LEU 33 -0.586 -8.673 0.324 230 1HD1 LEU 33 HD11 LEU 33 -2.222 -6.938 -1.527 231 2HD1 LEU 33 HD12 LEU 33 -2.740 -7.533 0.050 232 3HD1 LEU 33 HD13 LEU 33 -2.440 -8.669 -1.265 233 1HD2 LEU 33 HD21 LEU 33 1.234 -8.295 -1.250 234 2HD2 LEU 33 HD22 LEU 33 0.159 -7.353 -2.284 235 3HD2 LEU 33 HD23 LEU 33 -0.131 -9.077 -2.050 236 H CYS 34 HN CYS 34 -1.316 -8.603 2.250 237 HA CYS 34 HA CYS 34 0.232 -8.371 4.711 238 1HB CYS 34 HB2 CYS 34 -0.696 -10.750 5.080 239 2HB CYS 34 HB1 CYS 34 -1.817 -9.400 5.185 240 HA PRO 35 HA PRO 35 3.587 -9.947 2.324 241 1HB PRO 35 HB2 PRO 35 5.505 -9.628 4.176 242 2HB PRO 35 HB1 PRO 35 4.737 -8.251 3.377 243 1HG PRO 35 HG2 PRO 35 4.211 -9.403 6.089 244 2HG PRO 35 HG1 PRO 35 4.331 -7.703 5.598 245 1HD PRO 35 HD2 PRO 35 1.955 -9.022 5.958 246 2HD PRO 35 HD1 PRO 35 2.159 -7.632 4.876 247 H ASP 36 HN ASP 36 1.975 -11.706 4.480 248 HA ASP 36 HA ASP 36 3.972 -13.870 4.436 249 1HB ASP 36 HB2 ASP 36 3.492 -12.911 6.740 250 2HB ASP 36 HB1 ASP 36 1.857 -13.545 6.568 251 H CYS 37 HN CYS 37 0.503 -13.403 5.024 252 HA CYS 37 HA CYS 37 -0.106 -15.767 3.429 253 1HB CYS 37 HB2 CYS 37 -2.457 -15.261 4.283 254 2HB CYS 37 HB1 CYS 37 -1.269 -15.700 5.504 255 H ARG 38 HN ARG 38 0.910 -13.964 1.776 256 HA ARG 38 HA ARG 38 -0.525 -11.746 0.995 257 1HB ARG 38 HB2 ARG 38 1.733 -12.019 0.269 258 2HB ARG 38 HB1 ARG 38 1.337 -13.485 -0.620 259 1HG ARG 38 HG2 ARG 38 0.115 -12.258 -2.249 260 2HG ARG 38 HG1 ARG 38 0.203 -10.782 -1.288 261 1HD ARG 38 HD2 ARG 38 1.782 -10.775 -3.175 262 2HD ARG 38 HD1 ARG 38 2.591 -10.664 -1.614 263 HE ARG 38 HE ARG 38 2.964 -13.157 -1.914 264 1HH1 ARG 38 HH11 ARG 38 2.642 -10.979 -4.640 265 2HH1 ARG 38 HH12 ARG 38 3.684 -11.917 -5.670 266 1HH2 ARG 38 HH21 ARG 38 4.348 -14.372 -3.266 267 2HH2 ARG 38 HH22 ARG 38 4.663 -13.825 -4.881 268 H GLN 39 HN GLN 39 -2.621 -11.979 0.818 269 HA GLN 39 HA GLN 39 -3.654 -12.972 -1.711 270 1HB GLN 39 HB2 GLN 39 -4.723 -13.829 0.997 271 2HB GLN 39 HB1 GLN 39 -5.637 -13.981 -0.494 272 1HG GLN 39 HG2 GLN 39 -4.009 -15.530 -1.379 273 2HG GLN 39 HG1 GLN 39 -2.998 -15.317 0.050 274 1HE2 GLN 39 HE21 GLN 39 -6.000 -16.620 -1.172 275 2HE2 GLN 39 HE22 GLN 39 -6.283 -17.708 0.145 276 HA PRO 40 HA PRO 40 -5.975 -9.175 -1.567 277 1HB PRO 40 HB2 PRO 40 -8.445 -10.820 -1.911 278 2HB PRO 40 HB1 PRO 40 -7.903 -9.404 -2.819 279 1HG PRO 40 HG2 PRO 40 -7.679 -11.831 -3.866 280 2HG PRO 40 HG1 PRO 40 -6.391 -10.630 -4.084 281 1HD PRO 40 HD2 PRO 40 -6.481 -13.007 -2.283 282 2HD PRO 40 HD1 PRO 40 -5.108 -12.310 -3.166 283 H LEU 41 HN LEU 41 -6.196 -8.187 0.340 284 HA LEU 41 HA LEU 41 -7.354 -9.491 2.630 285 1HB LEU 41 HB2 LEU 41 -6.300 -6.689 2.214 286 2HB LEU 41 HB1 LEU 41 -6.971 -7.242 3.733 287 HG LEU 41 HG LEU 41 -5.156 -9.030 3.734 288 1HD1 LEU 41 HD11 LEU 41 -3.151 -8.541 2.431 289 2HD1 LEU 41 HD12 LEU 41 -4.017 -7.250 1.594 290 3HD1 LEU 41 HD13 LEU 41 -4.530 -8.926 1.397 291 1HD2 LEU 41 HD21 LEU 41 -5.072 -7.065 5.170 292 2HD2 LEU 41 HD22 LEU 41 -4.326 -6.136 3.871 293 3HD2 LEU 41 HD23 LEU 41 -3.461 -7.492 4.594 294 H GLN 42 HN GLN 42 -8.856 -7.768 3.967 295 HA GLN 42 HA GLN 42 -11.177 -7.439 2.218 296 1HB GLN 42 HB2 GLN 42 -11.499 -8.774 4.253 297 2HB GLN 42 HB1 GLN 42 -10.980 -7.413 5.239 298 1HG GLN 42 HG2 GLN 42 -12.901 -6.119 4.483 299 2HG GLN 42 HG1 GLN 42 -13.415 -7.464 3.467 300 1HE2 GLN 42 HE21 GLN 42 -15.387 -7.616 4.520 301 2HE2 GLN 42 HE22 GLN 42 -15.529 -8.265 6.120 302 H VAL 43 HN VAL 43 -12.117 -5.507 1.840 303 HA VAL 43 HA VAL 43 -10.624 -3.128 2.495 304 HB VAL 43 HB VAL 43 -13.283 -3.400 1.074 305 1HG1 VAL 43 HG11 VAL 43 -12.928 -1.158 1.958 306 2HG1 VAL 43 HG12 VAL 43 -12.814 -1.162 0.198 307 3HG1 VAL 43 HG13 VAL 43 -11.348 -1.087 1.176 308 1HG2 VAL 43 HG21 VAL 43 -10.502 -3.162 -0.070 309 2HG2 VAL 43 HG22 VAL 43 -12.003 -3.167 -0.995 310 3HG2 VAL 43 HG23 VAL 43 -11.515 -4.605 -0.098 311 H LEU 44 HN LEU 44 -10.773 -2.800 4.700 312 HA LEU 44 HA LEU 44 -13.376 -2.809 5.978 313 1HB LEU 44 HB2 LEU 44 -10.625 -2.183 7.050 314 2HB LEU 44 HB1 LEU 44 -12.087 -2.185 8.020 315 HG LEU 44 HG LEU 44 -10.890 -4.573 6.609 316 1HD1 LEU 44 HD11 LEU 44 -10.479 -5.396 8.866 317 2HD1 LEU 44 HD12 LEU 44 -11.125 -3.900 9.541 318 3HD1 LEU 44 HD13 LEU 44 -9.640 -3.871 8.588 319 1HD2 LEU 44 HD21 LEU 44 -13.314 -4.708 6.626 320 2HD2 LEU 44 HD22 LEU 44 -13.341 -4.349 8.352 321 3HD2 LEU 44 HD23 LEU 44 -12.628 -5.856 7.774 322 H LYS 45 HN LYS 45 -14.642 -1.144 5.593 323 HA LYS 45 HA LYS 45 -13.480 1.514 5.254 324 1HB LYS 45 HB2 LYS 45 -16.282 0.483 4.787 325 2HB LYS 45 HB1 LYS 45 -15.772 2.145 4.517 326 1HG LYS 45 HG2 LYS 45 -14.258 1.460 2.783 327 2HG LYS 45 HG1 LYS 45 -14.596 -0.243 3.113 328 1HD LYS 45 HD2 LYS 45 -16.907 0.060 2.431 329 2HD LYS 45 HD1 LYS 45 -16.627 1.785 2.180 330 1HE LYS 45 HE2 LYS 45 -15.081 1.316 0.390 331 2HE LYS 45 HE1 LYS 45 -15.202 -0.416 0.693 332 1HZ LYS 45 HZ1 LYS 45 -16.560 0.312 -1.194 333 2HZ LYS 45 HZ2 LYS 45 -17.461 1.313 -0.160 334 3HZ LYS 45 HZ3 LYS 45 -17.499 -0.371 0.042 335 H ALA 46 HN ALA 46 -13.028 2.281 7.247 336 HA ALA 46 HA ALA 46 -15.112 2.215 9.302 337 1HB ALA 46 HB1 ALA 46 -13.390 3.070 10.810 338 2HB ALA 46 HB2 ALA 46 -12.261 3.197 9.461 339 3HB ALA 46 HB3 ALA 46 -12.838 1.614 9.982 340 H CYS 47 HN CYS 47 -16.606 3.682 8.744 341 HA CYS 47 HA CYS 47 -17.631 5.648 8.304 342 1HB CYS 47 HB2 CYS 47 -15.090 6.932 9.330 343 2HB CYS 47 HB1 CYS 47 -16.664 7.705 9.175 344 HG CYS 47 HG CYS 47 -17.734 6.822 11.372 345 H GLY 48 HN GLY 48 -14.408 6.943 7.643 346 1HA GLY 48 HA2 GLY 48 -15.034 6.869 4.764 347 2HA GLY 48 HA1 GLY 48 -14.488 8.359 5.521 348 H ALA 49 HN ALA 49 -13.021 5.781 7.020 349 HA ALA 49 HA ALA 49 -10.590 6.176 5.410 350 1HB ALA 49 HB1 ALA 49 -10.422 6.910 7.746 351 2HB ALA 49 HB2 ALA 49 -9.329 5.570 7.398 352 3HB ALA 49 HB3 ALA 49 -10.828 5.278 8.279 353 H VAL 50 HN VAL 50 -9.827 4.511 4.288 354 HA VAL 50 HA VAL 50 -11.080 1.894 4.689 355 HB VAL 50 HB VAL 50 -9.521 2.963 2.327 356 1HG1 VAL 50 HG11 VAL 50 -10.245 0.922 1.167 357 2HG1 VAL 50 HG12 VAL 50 -10.949 0.326 2.668 358 3HG1 VAL 50 HG13 VAL 50 -9.206 0.561 2.546 359 1HG2 VAL 50 HG21 VAL 50 -12.468 2.410 2.673 360 2HG2 VAL 50 HG22 VAL 50 -11.686 2.900 1.171 361 3HG2 VAL 50 HG23 VAL 50 -11.709 3.997 2.551 362 H ASP 51 HN ASP 51 -9.984 0.474 5.834 363 HA ASP 51 HA ASP 51 -7.051 0.403 5.593 364 1HB ASP 51 HB2 ASP 51 -8.923 -0.363 7.783 365 2HB ASP 51 HB1 ASP 51 -7.476 -1.342 7.578 366 H TYR 52 HN TYR 52 -6.240 -1.126 4.331 367 HA TYR 52 HA TYR 52 -7.904 -3.355 3.497 368 1HB TYR 52 HB2 TYR 52 -6.152 -1.937 2.084 369 2HB TYR 52 HB1 TYR 52 -5.017 -3.113 2.738 370 HD1 TYR 52 HD2 TYR 52 -8.512 -3.408 1.447 371 HD2 TYR 52 HD1 TYR 52 -4.457 -4.633 1.094 372 HE1 TYR 52 HE2 TYR 52 -9.152 -4.982 -0.326 373 HE2 TYR 52 HE1 TYR 52 -5.078 -6.212 -0.680 374 HH TYR 52 HH TYR 52 -8.212 -6.228 -2.139 375 H PHE 53 HN PHE 53 -8.093 -4.918 4.983 376 HA PHE 53 HA PHE 53 -5.727 -5.783 6.510 377 1HB PHE 53 HB2 PHE 53 -7.052 -3.895 7.639 378 2HB PHE 53 HB1 PHE 53 -8.336 -5.075 7.843 379 HD1 PHE 53 HD2 PHE 53 -4.766 -4.461 8.623 380 HD2 PHE 53 HD1 PHE 53 -8.356 -6.472 9.696 381 HE1 PHE 53 HE2 PHE 53 -3.718 -5.203 10.718 382 HE2 PHE 53 HE1 PHE 53 -7.318 -7.214 11.800 383 HZ PHE 53 HZ PHE 53 -4.994 -6.579 12.311 384 H CYS 54 HN CYS 54 -5.767 -7.914 7.077 385 HA CYS 54 HA CYS 54 -7.694 -9.653 5.954 386 1HB CYS 54 HB2 CYS 54 -5.732 -10.265 8.172 387 2HB CYS 54 HB1 CYS 54 -6.442 -11.400 7.033 388 H GLN 55 HN GLN 55 -9.669 -10.131 6.812 389 HA GLN 55 HA GLN 55 -9.953 -10.383 9.674 390 1HB GLN 55 HB2 GLN 55 -10.303 -7.941 9.206 391 2HB GLN 55 HB1 GLN 55 -11.677 -8.380 8.201 392 1HG GLN 55 HG2 GLN 55 -12.759 -9.399 10.154 393 2HG GLN 55 HG1 GLN 55 -11.388 -8.910 11.150 394 1HE2 GLN 55 HE21 GLN 55 -11.093 -6.730 11.620 395 2HE2 GLN 55 HE22 GLN 55 -12.363 -5.575 11.432 396 H ASN 56 HN ASN 56 -11.671 -11.641 10.269 397 HA ASN 56 HA ASN 56 -13.252 -13.254 10.084 398 1HB ASN 56 HB2 ASN 56 -14.341 -11.279 8.067 399 2HB ASN 56 HB1 ASN 56 -15.255 -12.618 8.757 400 1HD2 ASN 56 HD21 ASN 56 -15.704 -9.726 8.914 401 2HD2 ASN 56 HD22 ASN 56 -15.748 -9.346 10.603 402 H GLY 57 HN GLY 57 -11.146 -14.190 8.865 403 1HA GLY 57 HA2 GLY 57 -11.626 -16.287 7.436 404 2HA GLY 57 HA1 GLY 57 -12.006 -15.097 6.198 405 H HIS 58 HN HIS 58 -10.141 -13.301 6.175 406 HA HIS 58 HA HIS 58 -7.865 -14.651 5.154 407 1HB HIS 58 HB2 HIS 58 -8.799 -12.284 4.575 408 2HB HIS 58 HB1 HIS 58 -7.804 -11.747 5.922 409 HD2 HIS 58 HD2 HIS 58 -7.431 -11.702 2.341 410 HE1 HIS 58 HE1 HIS 58 -3.573 -12.880 3.631 411 HE2 HIS 58 HE2 HIS 58 -4.903 -11.750 1.823 412 H GLY 59 HN GLY 59 -8.020 -12.330 7.902 413 1HA GLY 59 HA2 GLY 59 -7.375 -13.952 9.951 414 2HA GLY 59 HA1 GLY 59 -5.809 -13.695 9.187 415 H LEU 60 HN LEU 60 -4.681 -12.036 9.835 416 HA LEU 60 HA LEU 60 -5.496 -9.407 9.975 417 1HB LEU 60 HB2 LEU 60 -5.382 -8.970 12.433 418 2HB LEU 60 HB1 LEU 60 -6.796 -9.877 11.947 419 HG LEU 60 HG LEU 60 -5.353 -11.955 12.661 420 1HD1 LEU 60 HD11 LEU 60 -4.102 -9.740 14.279 421 2HD1 LEU 60 HD12 LEU 60 -3.287 -10.743 13.078 422 3HD1 LEU 60 HD13 LEU 60 -3.898 -11.468 14.565 423 1HD2 LEU 60 HD21 LEU 60 -6.621 -10.072 14.644 424 2HD2 LEU 60 HD22 LEU 60 -6.306 -11.788 14.903 425 3HD2 LEU 60 HD23 LEU 60 -7.461 -11.279 13.671 426 H ILE 61 HN ILE 61 -3.722 -8.029 10.467 427 HA ILE 61 HA ILE 61 -1.191 -9.431 11.010 428 HB ILE 61 HB ILE 61 -1.037 -7.019 9.288 429 1HG1 ILE 61 HG12 ILE 61 -1.221 -8.716 7.269 430 2HG1 ILE 61 HG11 ILE 61 -2.293 -9.574 8.370 431 1HG2 ILE 61 HG21 ILE 61 0.397 -9.669 9.310 432 2HG2 ILE 61 HG22 ILE 61 0.965 -8.153 10.010 433 3HG2 ILE 61 HG23 ILE 61 0.792 -8.306 8.262 434 1HD1 ILE 61 HD11 ILE 61 -2.618 -6.730 7.441 435 2HD1 ILE 61 HD12 ILE 61 -3.688 -7.575 8.561 436 3HD1 ILE 61 HD13 ILE 61 -3.546 -8.125 6.891 437 H SER 62 HN SER 62 0.258 -8.290 12.302 438 HA SER 62 HA SER 62 -0.642 -6.123 13.856 439 1HB SER 62 HB2 SER 62 1.254 -7.581 14.526 440 2HB SER 62 HB1 SER 62 2.213 -6.925 13.201 441 HG SER 62 HG SER 62 1.319 -5.646 15.562 442 H LYS 63 HN LYS 63 -0.656 -3.950 13.437 443 HA LYS 63 HA LYS 63 -0.365 -3.198 10.694 444 1HB LYS 63 HB2 LYS 63 -0.901 -1.422 13.078 445 2HB LYS 63 HB1 LYS 63 -1.112 -0.980 11.389 446 1HG LYS 63 HG2 LYS 63 -2.733 -2.993 11.314 447 2HG LYS 63 HG1 LYS 63 -2.734 -2.846 13.070 448 1HD LYS 63 HD2 LYS 63 -4.573 -1.568 12.349 449 2HD LYS 63 HD1 LYS 63 -3.308 -0.388 12.701 450 1HE LYS 63 HE2 LYS 63 -2.752 -0.272 10.322 451 2HE LYS 63 HE1 LYS 63 -3.997 -1.467 9.966 452 1HZ LYS 63 HZ1 LYS 63 -5.594 0.180 11.023 453 2HZ LYS 63 HZ2 LYS 63 -4.976 0.583 9.497 454 3HZ LYS 63 HZ3 LYS 63 -4.345 1.322 10.889 455 H LYS 64 HN LYS 64 1.941 -3.775 12.790 456 HA LYS 64 HA LYS 64 3.692 -1.551 12.097 457 1HB LYS 64 HB2 LYS 64 4.179 -4.040 13.745 458 2HB LYS 64 HB1 LYS 64 5.334 -2.735 13.522 459 1HG LYS 64 HG2 LYS 64 3.897 -1.200 14.694 460 2HG LYS 64 HG1 LYS 64 2.633 -2.427 14.815 461 1HD LYS 64 HD2 LYS 64 3.991 -3.781 16.245 462 2HD LYS 64 HD1 LYS 64 5.394 -2.742 15.987 463 1HE LYS 64 HE2 LYS 64 2.827 -1.932 17.355 464 2HE LYS 64 HE1 LYS 64 4.338 -2.341 18.168 465 1HZ LYS 64 HZ1 LYS 64 3.831 -0.035 16.369 466 2HZ LYS 64 HZ2 LYS 64 5.380 -0.487 16.897 467 3HZ LYS 64 HZ3 LYS 64 4.213 0.012 18.023 468 H ARG 65 HN ARG 65 2.810 -4.631 10.896 469 HA ARG 65 HA ARG 65 5.333 -4.806 9.370 470 1HB ARG 65 HB2 ARG 65 3.737 -7.248 10.078 471 2HB ARG 65 HB1 ARG 65 5.423 -7.134 9.599 472 1HG ARG 65 HG2 ARG 65 5.646 -5.805 11.847 473 2HG ARG 65 HG1 ARG 65 4.169 -6.675 12.255 474 1HD ARG 65 HD2 ARG 65 6.904 -7.740 11.694 475 2HD ARG 65 HD1 ARG 65 5.834 -8.076 13.052 476 HE ARG 65 HE ARG 65 5.286 -9.076 10.331 477 1HH1 ARG 65 HH11 ARG 65 5.460 -9.564 13.795 478 2HH1 ARG 65 HH12 ARG 65 5.120 -11.268 13.698 479 1HH2 ARG 65 HH21 ARG 65 4.834 -11.296 10.194 480 2HH2 ARG 65 HH22 ARG 65 4.744 -12.250 11.647 481 H VAL 66 HN VAL 66 2.595 -3.675 8.755 482 HA VAL 66 HA VAL 66 1.477 -5.373 6.733 483 HB VAL 66 HB VAL 66 1.095 -2.397 7.138 484 1HG1 VAL 66 HG11 VAL 66 -0.560 -4.399 5.606 485 2HG1 VAL 66 HG12 VAL 66 0.442 -3.127 4.908 486 3HG1 VAL 66 HG13 VAL 66 -0.976 -2.705 5.868 487 1HG2 VAL 66 HG21 VAL 66 -0.922 -2.979 8.353 488 2HG2 VAL 66 HG22 VAL 66 0.484 -3.720 9.115 489 3HG2 VAL 66 HG23 VAL 66 -0.594 -4.696 8.116 490 H ASN 67 HN ASN 67 1.934 -5.449 4.582 491 HA ASN 67 HA ASN 67 4.362 -4.088 3.729 492 1HB ASN 67 HB2 ASN 67 4.079 -6.513 3.286 493 2HB ASN 67 HB1 ASN 67 2.683 -6.150 2.276 494 1HD2 ASN 67 HD21 ASN 67 3.596 -7.023 0.439 495 2HD2 ASN 67 HD22 ASN 67 4.907 -6.274 -0.399 496 H PHE 68 HN PHE 68 3.825 -1.999 3.319 497 HA PHE 68 HA PHE 68 1.539 -1.335 1.686 498 1HB PHE 68 HB2 PHE 68 3.770 0.372 2.810 499 2HB PHE 68 HB1 PHE 68 2.416 1.004 1.881 500 HD1 PHE 68 HD1 PHE 68 0.131 0.894 2.800 501 HD2 PHE 68 HD2 PHE 68 3.539 -0.203 5.100 502 HE1 PHE 68 HE1 PHE 68 -1.202 1.088 4.858 503 HE2 PHE 68 HE2 PHE 68 2.212 -0.015 7.163 504 HZ PHE 68 HZ PHE 68 -0.162 0.631 7.044 505 H VAL 69 HN VAL 69 1.638 -1.794 -0.394 506 HA VAL 69 HA VAL 69 4.184 -1.592 -1.815 507 HB VAL 69 HB VAL 69 1.521 -2.617 -2.821 508 1HG1 VAL 69 HG11 VAL 69 2.859 -3.660 -4.598 509 2HG1 VAL 69 HG12 VAL 69 4.302 -2.875 -3.958 510 3HG1 VAL 69 HG13 VAL 69 2.989 -1.901 -4.619 511 1HG2 VAL 69 HG21 VAL 69 3.892 -4.147 -1.754 512 2HG2 VAL 69 HG22 VAL 69 2.460 -4.860 -2.499 513 3HG2 VAL 69 HG23 VAL 69 2.319 -3.986 -0.974 514 H ILE 70 HN ILE 70 4.646 0.003 -3.197 515 HA ILE 70 HA ILE 70 2.806 2.213 -3.463 516 HB ILE 70 HB ILE 70 5.584 1.803 -4.588 517 1HG1 ILE 70 HG12 ILE 70 4.599 3.466 -2.256 518 2HG1 ILE 70 HG11 ILE 70 5.485 1.950 -2.127 519 1HG2 ILE 70 HG21 ILE 70 5.537 4.221 -5.056 520 2HG2 ILE 70 HG22 ILE 70 3.842 4.262 -4.566 521 3HG2 ILE 70 HG23 ILE 70 4.326 3.332 -5.983 522 1HD1 ILE 70 HD11 ILE 70 6.932 3.857 -1.738 523 2HD1 ILE 70 HD12 ILE 70 6.524 4.507 -3.326 524 3HD1 ILE 70 HD13 ILE 70 7.414 2.990 -3.196 525 H SER 71 HN SER 71 1.290 2.242 -4.980 526 HA SER 71 HA SER 71 1.782 0.739 -7.464 527 1HB SER 71 HB2 SER 71 -0.869 1.469 -6.202 528 2HB SER 71 HB1 SER 71 -0.634 0.475 -7.640 529 HG SER 71 HG SER 71 0.601 -0.229 -5.211 530 H ASP 72 HN ASP 72 2.366 2.065 -9.053 531 HA ASP 72 HA ASP 72 0.953 4.622 -9.368 532 1HB ASP 72 HB2 ASP 72 3.463 4.615 -9.530 533 2HB ASP 72 HB1 ASP 72 3.324 3.571 -10.941 534 H GLN 73 HN GLN 73 -0.797 4.575 -10.620 535 HA GLN 73 HA GLN 73 -1.405 2.183 -12.087 536 1HB GLN 73 HB2 GLN 73 -2.964 4.739 -11.693 537 2HB GLN 73 HB1 GLN 73 -3.576 3.328 -12.545 538 1HG GLN 73 HG2 GLN 73 -3.306 1.994 -10.503 539 2HG GLN 73 HG1 GLN 73 -2.746 3.433 -9.655 540 1HE2 GLN 73 HE21 GLN 73 -4.213 5.042 -9.130 541 2HE2 GLN 73 HE22 GLN 73 -5.921 4.783 -9.180 542 H LEU 74 HN LEU 74 -2.519 2.480 -14.299 543 HA LEU 74 HA LEU 74 -0.594 3.953 -15.956 544 1HB LEU 74 HB2 LEU 74 -0.989 2.331 -17.701 545 2HB LEU 74 HB1 LEU 74 -0.536 1.515 -16.219 546 HG LEU 74 HG LEU 74 -3.412 1.760 -17.097 547 1HD1 LEU 74 HD11 LEU 74 -2.167 0.641 -18.871 548 2HD1 LEU 74 HD12 LEU 74 -3.198 -0.503 -18.008 549 3HD1 LEU 74 HD13 LEU 74 -1.465 -0.466 -17.690 550 1HD2 LEU 74 HD21 LEU 74 -1.998 -0.149 -15.232 551 2HD2 LEU 74 HD22 LEU 74 -3.714 -0.179 -15.638 552 3HD2 LEU 74 HD23 LEU 74 -3.043 1.188 -14.749 553 H GLU 75 HN GLU 75 -3.147 4.969 -14.784 554 HA GLU 75 HA GLU 75 -4.840 5.302 -17.110 555 1HB GLU 75 HB2 GLU 75 -5.957 6.972 -15.304 556 2HB GLU 75 HB1 GLU 75 -6.321 5.259 -15.413 557 1HG GLU 75 HG2 GLU 75 -5.975 5.880 -13.120 558 2HG GLU 75 HG1 GLU 75 -4.674 4.815 -13.646 559 H HIS 76 HN HIS 76 -2.446 7.142 -15.331 560 HA HIS 76 HA HIS 76 -2.983 9.537 -16.839 561 1HB HIS 76 HB2 HIS 76 -0.702 10.260 -15.825 562 2HB HIS 76 HB1 HIS 76 -2.105 10.118 -14.782 563 HD1 HIS 76 HD1 HIS 76 -1.517 9.137 -12.634 564 HD2 HIS 76 HD2 HIS 76 0.814 7.543 -15.685 565 HE1 HIS 76 HE1 HIS 76 0.061 7.537 -11.512 566 HE2 HIS 76 HE2 HIS 76 1.328 6.439 -13.388 567 H HIS 77 HN HIS 77 -2.816 9.015 -18.980 568 HA HIS 77 HA HIS 77 -0.130 9.142 -20.015 569 1HB HIS 77 HB2 HIS 77 -0.280 7.176 -21.466 570 2HB HIS 77 HB1 HIS 77 -0.401 6.707 -19.777 571 HD1 HIS 77 HD1 HIS 77 -1.989 6.216 -22.983 572 HD2 HIS 77 HD2 HIS 77 -3.242 6.207 -19.016 573 HE1 HIS 77 HE1 HIS 77 -4.174 4.968 -22.958 574 HE2 HIS 77 HE2 HIS 77 -5.023 5.202 -20.595 575 H HIS 78 HN HIS 78 -0.472 10.977 -21.132 576 HA HIS 78 HA HIS 78 -1.623 10.853 -23.668 577 1HB HIS 78 HB2 HIS 78 -3.548 12.382 -23.459 578 2HB HIS 78 HB1 HIS 78 -3.805 10.884 -22.579 579 HD1 HIS 78 HD1 HIS 78 -3.773 14.525 -22.191 580 HD2 HIS 78 HD2 HIS 78 -3.615 11.195 -19.704 581 HE1 HIS 78 HE1 HIS 78 -4.327 15.369 -19.882 582 HE2 HIS 78 HE2 HIS 78 -4.354 13.313 -18.422 583 H HIS 79 HN HIS 79 -1.477 12.852 -24.847 584 HA HIS 79 HA HIS 79 -0.663 14.881 -25.411 585 1HB HIS 79 HB2 HIS 79 -1.563 15.971 -23.502 586 2HB HIS 79 HB1 HIS 79 -0.374 15.241 -22.429 587 HD1 HIS 79 HD1 HIS 79 1.401 16.813 -21.739 588 HD2 HIS 79 HD2 HIS 79 -0.089 17.738 -25.518 589 HE1 HIS 79 HE1 HIS 79 2.668 18.855 -22.495 590 HE2 HIS 79 HE2 HIS 79 1.874 19.293 -24.850 591 H HIS 80 HN HIS 80 1.029 14.286 -26.620 592 HA HIS 80 HA HIS 80 3.612 14.662 -25.277 593 1HB HIS 80 HB2 HIS 80 3.370 12.280 -26.015 594 2HB HIS 80 HB1 HIS 80 3.200 12.852 -27.672 595 HD1 HIS 80 HD1 HIS 80 5.713 12.152 -25.045 596 HD2 HIS 80 HD2 HIS 80 5.591 13.969 -28.785 597 HE1 HIS 80 HE1 HIS 80 8.114 12.444 -25.738 598 HE2 HIS 80 HE2 HIS 80 8.003 13.753 -27.888 599 H HIS 81 HN HIS 81 3.371 16.854 -25.750 600 HA HIS 81 HA HIS 81 4.416 17.689 -28.249 601 1HB HIS 81 HB2 HIS 81 1.997 17.254 -28.847 602 2HB HIS 81 HB1 HIS 81 1.552 18.516 -27.703 603 HD1 HIS 81 HD1 HIS 81 2.252 20.979 -28.349 604 HD2 HIS 81 HD2 HIS 81 2.876 18.128 -31.307 605 HE1 HIS 81 HE1 HIS 81 2.580 22.274 -30.476 606 HE2 HIS 81 HE2 HIS 81 2.771 20.525 -32.280 Start of MODEL 16 1 1H MET 1 HT1 MET 1 14.463 3.112 8.138 2 2H MET 1 HT2 MET 1 13.852 1.829 9.064 3 3H MET 1 HT3 MET 1 13.268 3.404 9.301 4 HA MET 1 HA MET 1 13.000 1.878 6.791 5 1HB MET 1 HB2 MET 1 10.522 1.821 7.520 6 2HB MET 1 HB1 MET 1 11.639 0.668 8.232 7 1HG MET 1 HG2 MET 1 11.819 2.100 10.221 8 2HG MET 1 HG1 MET 1 10.656 3.214 9.505 9 1HE MET 1 HE1 MET 1 9.213 3.023 11.749 10 2HE MET 1 HE2 MET 1 10.373 1.874 12.414 11 3HE MET 1 HE3 MET 1 8.652 1.491 12.418 12 H GLU 2 HN GLU 2 10.734 4.088 8.361 13 HA GLU 2 HA GLU 2 9.688 5.957 7.640 14 1HB GLU 2 HB2 GLU 2 12.293 6.545 6.220 15 2HB GLU 2 HB1 GLU 2 11.014 7.702 6.557 16 1HG GLU 2 HG2 GLU 2 12.846 6.346 8.507 17 2HG GLU 2 HG1 GLU 2 12.708 8.068 8.153 18 H ILE 3 HN ILE 3 9.648 7.374 5.301 19 HA ILE 3 HA ILE 3 9.231 5.386 3.181 20 HB ILE 3 HB ILE 3 7.264 6.780 2.408 21 1HG1 ILE 3 HG12 ILE 3 7.413 7.838 5.242 22 2HG1 ILE 3 HG11 ILE 3 7.733 8.776 3.787 23 1HG2 ILE 3 HG21 ILE 3 6.978 4.599 3.423 24 2HG2 ILE 3 HG22 ILE 3 5.688 5.687 3.936 25 3HG2 ILE 3 HG23 ILE 3 7.021 5.319 5.033 26 1HD1 ILE 3 HD11 ILE 3 5.422 8.467 3.077 27 2HD1 ILE 3 HD12 ILE 3 5.515 9.226 4.666 28 3HD1 ILE 3 HD13 ILE 3 5.101 7.517 4.529 29 H THR 4 HN THR 4 10.241 5.883 1.357 30 HA THR 4 HA THR 4 10.906 8.684 0.794 31 HB THR 4 HB THR 4 13.142 7.706 -0.129 32 HG1 THR 4 HG1 THR 4 12.508 5.787 1.885 33 1HG2 THR 4 HG21 THR 4 14.250 8.082 2.028 34 2HG2 THR 4 HG22 THR 4 12.685 8.014 2.840 35 3HG2 THR 4 HG23 THR 4 13.032 9.314 1.699 36 H CYS 5 HN CYS 5 11.472 9.072 -1.466 37 HA CYS 5 HA CYS 5 9.809 7.698 -3.307 38 1HB CYS 5 HB2 CYS 5 12.165 9.507 -3.876 39 2HB CYS 5 HB1 CYS 5 10.915 9.052 -5.022 40 HA PRO 6 HA PRO 6 12.644 4.260 -3.876 41 1HB PRO 6 HB2 PRO 6 11.176 2.982 -5.788 42 2HB PRO 6 HB1 PRO 6 10.815 2.892 -4.061 43 1HG PRO 6 HG2 PRO 6 9.565 4.609 -6.170 44 2HG PRO 6 HG1 PRO 6 8.788 3.707 -4.854 45 1HD PRO 6 HD2 PRO 6 9.228 6.364 -4.708 46 2HD PRO 6 HD1 PRO 6 9.305 5.313 -3.278 47 H VAL 7 HN VAL 7 11.446 6.371 -6.378 48 HA VAL 7 HA VAL 7 13.636 5.531 -8.149 49 HB VAL 7 HB VAL 7 11.512 5.102 -9.177 50 1HG1 VAL 7 HG11 VAL 7 9.867 6.871 -9.612 51 2HG1 VAL 7 HG12 VAL 7 10.840 7.994 -8.661 52 3HG1 VAL 7 HG13 VAL 7 10.106 6.590 -7.888 53 1HG2 VAL 7 HG21 VAL 7 13.242 5.911 -10.672 54 2HG2 VAL 7 HG22 VAL 7 12.748 7.578 -10.375 55 3HG2 VAL 7 HG23 VAL 7 11.658 6.469 -11.208 56 H CYS 8 HN CYS 8 12.039 8.337 -6.726 57 HA CYS 8 HA CYS 8 13.911 10.126 -8.077 58 1HB CYS 8 HB2 CYS 8 12.211 11.654 -6.440 59 2HB CYS 8 HB1 CYS 8 12.097 11.432 -8.186 60 H HIS 9 HN HIS 9 13.712 8.478 -5.177 61 HA HIS 9 HA HIS 9 14.557 8.670 -3.098 62 1HB HIS 9 HB2 HIS 9 16.531 10.165 -4.732 63 2HB HIS 9 HB1 HIS 9 16.616 10.371 -2.984 64 HD1 HIS 9 HD1 HIS 9 18.700 8.805 -4.889 65 HD2 HIS 9 HD2 HIS 9 15.861 7.154 -2.336 66 HE1 HIS 9 HE1 HIS 9 19.536 6.492 -4.343 67 HE2 HIS 9 HE2 HIS 9 17.907 5.600 -2.631 68 H HIS 10 HN HIS 10 15.466 10.591 -1.479 69 HA HIS 10 HA HIS 10 14.732 12.193 -0.053 70 1HB HIS 10 HB2 HIS 10 13.083 13.145 -2.407 71 2HB HIS 10 HB1 HIS 10 13.130 13.963 -0.848 72 HD1 HIS 10 HD1 HIS 10 14.832 13.812 -4.065 73 HD2 HIS 10 HD2 HIS 10 15.811 14.937 -0.182 74 HE1 HIS 10 HE1 HIS 10 16.927 15.186 -4.266 75 HE2 HIS 10 HE2 HIS 10 17.559 15.779 -1.897 76 H ALA 11 HN ALA 11 12.667 12.855 1.143 77 HA ALA 11 HA ALA 11 11.377 10.336 1.679 78 1HB ALA 11 HB1 ALA 11 12.199 11.742 3.500 79 2HB ALA 11 HB2 ALA 11 10.468 11.432 3.645 80 3HB ALA 11 HB3 ALA 11 11.038 12.993 3.055 81 H LEU 12 HN LEU 12 9.041 10.282 2.218 82 HA LEU 12 HA LEU 12 7.451 11.789 0.248 83 1HB LEU 12 HB2 LEU 12 7.051 9.005 1.350 84 2HB LEU 12 HB1 LEU 12 5.864 9.847 0.373 85 HG LEU 12 HG LEU 12 8.641 9.117 -0.560 86 1HD1 LEU 12 HD11 LEU 12 5.977 7.824 -1.134 87 2HD1 LEU 12 HD12 LEU 12 7.298 7.124 -0.198 88 3HD1 LEU 12 HD13 LEU 12 7.503 7.424 -1.923 89 1HD2 LEU 12 HD21 LEU 12 7.722 11.083 -1.668 90 2HD2 LEU 12 HD22 LEU 12 6.244 10.195 -2.037 91 3HD2 LEU 12 HD23 LEU 12 7.774 9.707 -2.768 92 H GLU 13 HN GLU 13 5.299 12.362 0.884 93 HA GLU 13 HA GLU 13 4.947 12.577 3.799 94 1HB GLU 13 HB2 GLU 13 4.914 14.705 2.514 95 2HB GLU 13 HB1 GLU 13 3.554 14.097 1.580 96 1HG GLU 13 HG2 GLU 13 2.245 13.940 3.677 97 2HG GLU 13 HG1 GLU 13 3.597 14.683 4.531 98 H ARG 14 HN ARG 14 3.312 11.485 4.772 99 HA ARG 14 HA ARG 14 1.719 9.711 3.137 100 1HB ARG 14 HB2 ARG 14 2.621 8.881 5.257 101 2HB ARG 14 HB1 ARG 14 1.739 10.123 6.136 102 1HG ARG 14 HG2 ARG 14 -0.373 9.140 5.466 103 2HG ARG 14 HG1 ARG 14 0.474 7.934 4.498 104 1HD ARG 14 HD2 ARG 14 1.494 7.009 6.499 105 2HD ARG 14 HD1 ARG 14 0.731 8.254 7.487 106 HE ARG 14 HE ARG 14 -1.415 7.156 6.419 107 1HH1 ARG 14 HH11 ARG 14 1.417 5.586 7.779 108 2HH1 ARG 14 HH12 ARG 14 0.544 4.152 8.225 109 1HH2 ARG 14 HH21 ARG 14 -2.545 5.276 7.024 110 2HH2 ARG 14 HH22 ARG 14 -1.697 3.967 7.803 111 H ASN 15 HN ASN 15 0.225 10.783 2.011 112 HA ASN 15 HA ASN 15 -1.400 12.884 3.055 113 1HB ASN 15 HB2 ASN 15 -0.966 12.613 0.639 114 2HB ASN 15 HB1 ASN 15 -1.818 11.074 0.657 115 1HD2 ASN 15 HD21 ASN 15 -3.339 11.680 -0.821 116 2HD2 ASN 15 HD22 ASN 15 -4.572 12.850 -0.481 117 H GLY 16 HN GLY 16 -1.538 9.436 2.948 118 1HA GLY 16 HA2 GLY 16 -2.992 8.699 4.974 119 2HA GLY 16 HA1 GLY 16 -4.280 9.376 3.982 120 H ASP 17 HN ASP 17 -4.531 8.510 1.819 121 HA ASP 17 HA ASP 17 -4.021 5.628 1.725 122 1HB ASP 17 HB2 ASP 17 -5.680 5.590 -0.066 123 2HB ASP 17 HB1 ASP 17 -6.325 6.469 1.317 124 H THR 18 HN THR 18 -2.669 8.469 0.680 125 HA THR 18 HA THR 18 -1.258 7.133 -1.516 126 HB THR 18 HB THR 18 -1.244 9.609 -2.485 127 HG1 THR 18 HG1 THR 18 -3.842 9.510 -1.348 128 1HG2 THR 18 HG21 THR 18 -3.586 7.724 -2.780 129 2HG2 THR 18 HG22 THR 18 -2.067 7.632 -3.673 130 3HG2 THR 18 HG23 THR 18 -3.147 9.008 -3.907 131 H ALA 19 HN ALA 19 0.850 7.952 -1.960 132 HA ALA 19 HA ALA 19 2.052 9.440 0.284 133 1HB ALA 19 HB1 ALA 19 3.377 7.535 -1.645 134 2HB ALA 19 HB2 ALA 19 2.924 7.169 0.019 135 3HB ALA 19 HB3 ALA 19 4.167 8.376 -0.311 136 H HIS 20 HN HIS 20 2.830 11.406 -0.129 137 HA HIS 20 HA HIS 20 2.788 12.294 -2.922 138 1HB HIS 20 HB2 HIS 20 1.346 13.498 -1.328 139 2HB HIS 20 HB1 HIS 20 2.760 13.914 -0.367 140 HD1 HIS 20 HD1 HIS 20 1.344 14.528 -3.838 141 HD2 HIS 20 HD2 HIS 20 3.956 16.243 -1.090 142 HE1 HIS 20 HE1 HIS 20 1.989 16.762 -4.809 143 HE2 HIS 20 HE2 HIS 20 3.403 17.855 -3.029 144 H CYS 21 HN CYS 21 4.562 12.925 -3.962 145 HA CYS 21 HA CYS 21 7.144 12.658 -2.729 146 1HB CYS 21 HB2 CYS 21 6.213 13.446 -5.480 147 2HB CYS 21 HB1 CYS 21 7.909 13.480 -5.027 148 H GLU 22 HN GLU 22 8.524 14.241 -2.054 149 HA GLU 22 HA GLU 22 7.568 16.929 -1.768 150 1HB GLU 22 HB2 GLU 22 10.363 15.869 -1.328 151 2HB GLU 22 HB1 GLU 22 9.723 17.392 -0.739 152 1HG GLU 22 HG2 GLU 22 8.129 16.133 0.664 153 2HG GLU 22 HG1 GLU 22 8.892 14.635 0.124 154 H THR 23 HN THR 23 10.364 15.531 -3.488 155 HA THR 23 HA THR 23 10.979 18.087 -4.692 156 HB THR 23 HB THR 23 12.901 16.770 -5.674 157 HG1 THR 23 HG1 THR 23 13.019 14.661 -5.304 158 1HG2 THR 23 HG21 THR 23 13.158 18.031 -3.595 159 2HG2 THR 23 HG22 THR 23 14.080 16.527 -3.543 160 3HG2 THR 23 HG23 THR 23 12.549 16.652 -2.679 161 H CYS 24 HN CYS 24 8.585 16.291 -5.523 162 HA CYS 24 HA CYS 24 8.921 16.475 -8.360 163 1HB CYS 24 HB2 CYS 24 8.437 13.822 -8.367 164 2HB CYS 24 HB1 CYS 24 10.054 14.510 -8.479 165 H ALA 25 HN ALA 25 6.998 16.257 -9.475 166 HA ALA 25 HA ALA 25 4.601 16.304 -7.841 167 1HB ALA 25 HB1 ALA 25 4.906 16.661 -10.823 168 2HB ALA 25 HB2 ALA 25 4.877 17.960 -9.630 169 3HB ALA 25 HB3 ALA 25 3.445 16.961 -9.882 170 H LYS 26 HN LYS 26 4.932 14.060 -7.208 171 HA LYS 26 HA LYS 26 3.449 12.288 -8.983 172 1HB LYS 26 HB2 LYS 26 6.141 11.611 -7.781 173 2HB LYS 26 HB1 LYS 26 5.025 10.395 -8.381 174 1HG LYS 26 HG2 LYS 26 5.135 11.416 -10.612 175 2HG LYS 26 HG1 LYS 26 6.294 12.595 -9.999 176 1HD LYS 26 HD2 LYS 26 7.867 10.811 -9.484 177 2HD LYS 26 HD1 LYS 26 6.696 9.603 -10.018 178 1HE LYS 26 HE2 LYS 26 6.748 10.559 -12.272 179 2HE LYS 26 HE1 LYS 26 7.924 11.756 -11.737 180 1HZ LYS 26 HZ1 LYS 26 8.354 8.811 -11.739 181 2HZ LYS 26 HZ2 LYS 26 9.491 9.984 -11.282 182 3HZ LYS 26 HZ3 LYS 26 8.968 9.894 -12.888 183 H ASP 27 HN ASP 27 1.860 11.367 -7.894 184 HA ASP 27 HA ASP 27 2.196 10.956 -4.996 185 1HB ASP 27 HB2 ASP 27 -0.252 11.620 -6.622 186 2HB ASP 27 HB1 ASP 27 -0.389 10.861 -5.039 187 H PHE 28 HN PHE 28 2.207 8.932 -4.309 188 HA PHE 28 HA PHE 28 1.672 6.838 -6.295 189 1HB PHE 28 HB2 PHE 28 3.204 6.680 -3.692 190 2HB PHE 28 HB1 PHE 28 3.052 5.392 -4.879 191 HD1 PHE 28 HD2 PHE 28 3.769 6.176 -7.350 192 HD2 PHE 28 HD1 PHE 28 5.144 7.871 -3.698 193 HE1 PHE 28 HE2 PHE 28 5.772 7.019 -8.503 194 HE2 PHE 28 HE1 PHE 28 7.148 8.719 -4.844 195 HZ PHE 28 HZ PHE 28 7.463 8.300 -7.248 196 H SER 29 HN SER 29 0.033 5.451 -6.065 197 HA SER 29 HA SER 29 -1.757 5.667 -3.827 198 1HB SER 29 HB2 SER 29 -1.707 3.605 -6.048 199 2HB SER 29 HB1 SER 29 -3.060 3.951 -4.971 200 HG SER 29 HG SER 29 -2.072 6.148 -6.323 201 H LEU 30 HN LEU 30 -1.649 4.545 -1.974 202 HA LEU 30 HA LEU 30 0.383 2.439 -1.795 203 1HB LEU 30 HB2 LEU 30 -0.998 4.036 0.364 204 2HB LEU 30 HB1 LEU 30 0.190 2.781 0.656 205 HG LEU 30 HG LEU 30 0.691 5.390 -0.780 206 1HD1 LEU 30 HD11 LEU 30 2.095 5.898 1.165 207 2HD1 LEU 30 HD12 LEU 30 1.576 4.393 1.925 208 3HD1 LEU 30 HD13 LEU 30 0.405 5.675 1.616 209 1HD2 LEU 30 HD21 LEU 30 3.044 4.708 -0.759 210 2HD2 LEU 30 HD22 LEU 30 2.054 3.596 -1.705 211 3HD2 LEU 30 HD23 LEU 30 2.584 3.144 -0.084 212 H GLN 31 HN GLN 31 -0.083 0.420 -1.021 213 HA GLN 31 HA GLN 31 -2.893 -0.164 -0.414 214 1HB GLN 31 HB2 GLN 31 -2.417 -0.764 -2.775 215 2HB GLN 31 HB1 GLN 31 -1.121 -1.820 -2.228 216 1HG GLN 31 HG2 GLN 31 -3.146 -3.068 -2.755 217 2HG GLN 31 HG1 GLN 31 -2.715 -3.213 -1.051 218 1HE2 GLN 31 HE21 GLN 31 -5.003 -1.957 -3.332 219 2HE2 GLN 31 HE22 GLN 31 -6.199 -1.495 -2.176 220 H ALA 32 HN ALA 32 -3.063 -1.154 1.487 221 HA ALA 32 HA ALA 32 -0.782 -2.273 2.827 222 1HB ALA 32 HB1 ALA 32 -3.715 -2.272 3.546 223 2HB ALA 32 HB2 ALA 32 -2.473 -1.187 4.163 224 3HB ALA 32 HB3 ALA 32 -2.437 -2.899 4.583 225 H LEU 33 HN LEU 33 0.027 -4.099 2.019 226 HA LEU 33 HA LEU 33 -1.852 -6.170 1.093 227 1HB LEU 33 HB2 LEU 33 -0.126 -4.990 -0.475 228 2HB LEU 33 HB1 LEU 33 1.038 -6.037 0.312 229 HG LEU 33 HG LEU 33 -0.310 -8.002 -0.425 230 1HD1 LEU 33 HD11 LEU 33 -2.464 -6.907 -0.650 231 2HD1 LEU 33 HD12 LEU 33 -1.990 -7.645 -2.180 232 3HD1 LEU 33 HD13 LEU 33 -1.838 -5.903 -1.958 233 1HD2 LEU 33 HD21 LEU 33 1.642 -7.271 -1.689 234 2HD2 LEU 33 HD22 LEU 33 0.640 -6.142 -2.602 235 3HD2 LEU 33 HD23 LEU 33 0.387 -7.879 -2.769 236 H CYS 34 HN CYS 34 -1.251 -8.405 1.487 237 HA CYS 34 HA CYS 34 0.223 -8.678 4.006 238 1HB CYS 34 HB2 CYS 34 -2.141 -9.572 3.735 239 2HB CYS 34 HB1 CYS 34 -1.478 -10.763 2.625 240 HA PRO 35 HA PRO 35 3.860 -10.242 2.112 241 1HB PRO 35 HB2 PRO 35 3.808 -12.295 4.271 242 2HB PRO 35 HB1 PRO 35 5.108 -11.199 3.785 243 1HG PRO 35 HG2 PRO 35 3.697 -10.711 5.981 244 2HG PRO 35 HG1 PRO 35 4.172 -9.385 4.901 245 1HD PRO 35 HD2 PRO 35 1.516 -10.716 5.220 246 2HD PRO 35 HD1 PRO 35 1.894 -9.007 4.922 247 H ASP 36 HN ASP 36 1.338 -12.604 2.947 248 HA ASP 36 HA ASP 36 2.520 -14.459 0.996 249 1HB ASP 36 HB2 ASP 36 1.361 -16.239 2.040 250 2HB ASP 36 HB1 ASP 36 2.002 -15.256 3.351 251 H CYS 37 HN CYS 37 -0.376 -12.604 1.656 252 HA CYS 37 HA CYS 37 -1.508 -13.636 -0.851 253 1HB CYS 37 HB2 CYS 37 -3.768 -13.113 0.240 254 2HB CYS 37 HB1 CYS 37 -2.911 -14.548 0.787 255 H ARG 38 HN ARG 38 -2.282 -12.225 -2.281 256 HA ARG 38 HA ARG 38 -1.728 -9.387 -1.686 257 1HB ARG 38 HB2 ARG 38 -1.498 -10.842 -4.328 258 2HB ARG 38 HB1 ARG 38 -1.047 -9.170 -4.014 259 1HG ARG 38 HG2 ARG 38 0.805 -9.787 -2.732 260 2HG ARG 38 HG1 ARG 38 0.222 -11.439 -2.528 261 1HD ARG 38 HD2 ARG 38 0.544 -11.810 -4.948 262 2HD ARG 38 HD1 ARG 38 1.213 -10.184 -5.083 263 HE ARG 38 HE ARG 38 3.158 -10.901 -4.063 264 1HH1 ARG 38 HH11 ARG 38 0.737 -13.459 -3.962 265 2HH1 ARG 38 HH12 ARG 38 1.873 -14.662 -3.431 266 1HH2 ARG 38 HH21 ARG 38 4.619 -12.505 -3.358 267 2HH2 ARG 38 HH22 ARG 38 4.057 -14.132 -3.106 268 H GLN 39 HN GLN 39 -4.265 -11.023 -1.540 269 HA GLN 39 HA GLN 39 -5.929 -9.363 -3.260 270 1HB GLN 39 HB2 GLN 39 -6.045 -12.380 -3.405 271 2HB GLN 39 HB1 GLN 39 -7.141 -11.273 -4.216 272 1HG GLN 39 HG2 GLN 39 -5.240 -10.390 -5.512 273 2HG GLN 39 HG1 GLN 39 -4.191 -11.575 -4.734 274 1HE2 GLN 39 HE21 GLN 39 -7.502 -12.207 -5.675 275 2HE2 GLN 39 HE22 GLN 39 -7.126 -13.337 -6.934 276 HA PRO 40 HA PRO 40 -8.886 -11.786 -0.348 277 1HB PRO 40 HB2 PRO 40 -7.251 -13.283 1.560 278 2HB PRO 40 HB1 PRO 40 -8.538 -13.853 0.495 279 1HG PRO 40 HG2 PRO 40 -5.959 -14.498 0.085 280 2HG PRO 40 HG1 PRO 40 -7.094 -14.249 -1.256 281 1HD PRO 40 HD2 PRO 40 -5.045 -12.362 -0.136 282 2HD PRO 40 HD1 PRO 40 -5.411 -12.744 -1.833 283 H LEU 41 HN LEU 41 -6.946 -9.452 0.389 284 HA LEU 41 HA LEU 41 -7.390 -9.323 3.250 285 1HB LEU 41 HB2 LEU 41 -6.162 -7.403 1.287 286 2HB LEU 41 HB1 LEU 41 -6.532 -6.921 2.931 287 HG LEU 41 HG LEU 41 -5.087 -8.954 3.622 288 1HD1 LEU 41 HD11 LEU 41 -4.922 -9.973 1.425 289 2HD1 LEU 41 HD12 LEU 41 -3.330 -9.528 2.035 290 3HD1 LEU 41 HD13 LEU 41 -4.110 -8.536 0.805 291 1HD2 LEU 41 HD21 LEU 41 -3.065 -7.587 3.555 292 2HD2 LEU 41 HD22 LEU 41 -4.472 -6.623 4.005 293 3HD2 LEU 41 HD23 LEU 41 -3.821 -6.521 2.370 294 H GLN 42 HN GLN 42 -9.006 -8.294 4.255 295 HA GLN 42 HA GLN 42 -11.250 -7.493 2.620 296 1HB GLN 42 HB2 GLN 42 -10.956 -7.702 5.622 297 2HB GLN 42 HB1 GLN 42 -12.455 -7.334 4.781 298 1HG GLN 42 HG2 GLN 42 -10.884 -9.883 4.464 299 2HG GLN 42 HG1 GLN 42 -12.287 -9.681 5.511 300 1HE2 GLN 42 HE21 GLN 42 -13.516 -11.196 4.456 301 2HE2 GLN 42 HE22 GLN 42 -14.145 -10.965 2.865 302 H VAL 43 HN VAL 43 -12.162 -5.484 2.536 303 HA VAL 43 HA VAL 43 -10.369 -3.292 3.210 304 HB VAL 43 HB VAL 43 -13.026 -3.137 1.777 305 1HG1 VAL 43 HG11 VAL 43 -10.675 -1.251 1.862 306 2HG1 VAL 43 HG12 VAL 43 -12.234 -1.012 2.650 307 3HG1 VAL 43 HG13 VAL 43 -12.130 -1.034 0.889 308 1HG2 VAL 43 HG21 VAL 43 -10.271 -3.458 0.590 309 2HG2 VAL 43 HG22 VAL 43 -11.752 -3.147 -0.315 310 3HG2 VAL 43 HG23 VAL 43 -11.562 -4.660 0.570 311 H LEU 44 HN LEU 44 -10.532 -2.917 5.376 312 HA LEU 44 HA LEU 44 -13.161 -2.682 6.603 313 1HB LEU 44 HB2 LEU 44 -10.472 -2.142 7.863 314 2HB LEU 44 HB1 LEU 44 -11.990 -2.443 8.685 315 HG LEU 44 HG LEU 44 -10.336 -4.439 7.141 316 1HD1 LEU 44 HD11 LEU 44 -10.154 -5.565 9.290 317 2HD1 LEU 44 HD12 LEU 44 -11.110 -4.289 10.049 318 3HD1 LEU 44 HD13 LEU 44 -9.520 -3.921 9.378 319 1HD2 LEU 44 HD21 LEU 44 -12.014 -6.096 7.736 320 2HD2 LEU 44 HD22 LEU 44 -12.714 -4.829 6.728 321 3HD2 LEU 44 HD23 LEU 44 -13.014 -4.839 8.466 322 H LYS 45 HN LYS 45 -14.233 -0.810 6.556 323 HA LYS 45 HA LYS 45 -12.719 1.610 5.904 324 1HB LYS 45 HB2 LYS 45 -15.692 1.084 5.754 325 2HB LYS 45 HB1 LYS 45 -14.901 2.584 5.287 326 1HG LYS 45 HG2 LYS 45 -13.558 1.150 3.652 327 2HG LYS 45 HG1 LYS 45 -14.765 -0.098 3.960 328 1HD LYS 45 HD2 LYS 45 -16.533 1.447 3.268 329 2HD LYS 45 HD1 LYS 45 -15.323 2.691 2.953 330 1HE LYS 45 HE2 LYS 45 -14.270 1.089 1.317 331 2HE LYS 45 HE1 LYS 45 -15.692 0.066 1.520 332 1HZ LYS 45 HZ1 LYS 45 -17.057 1.983 0.811 333 2HZ LYS 45 HZ2 LYS 45 -15.989 1.452 -0.397 334 3HZ LYS 45 HZ3 LYS 45 -15.636 2.853 0.493 335 H ALA 46 HN ALA 46 -12.199 2.894 7.497 336 HA ALA 46 HA ALA 46 -13.863 3.043 9.898 337 1HB ALA 46 HB1 ALA 46 -11.189 4.323 9.318 338 2HB ALA 46 HB2 ALA 46 -11.440 2.826 10.216 339 3HB ALA 46 HB3 ALA 46 -12.041 4.352 10.863 340 H CYS 47 HN CYS 47 -15.621 4.058 8.930 341 HA CYS 47 HA CYS 47 -16.961 5.766 8.328 342 1HB CYS 47 HB2 CYS 47 -15.887 7.013 10.171 343 2HB CYS 47 HB1 CYS 47 -14.640 7.567 9.058 344 HG CYS 47 HG CYS 47 -16.534 9.627 9.651 345 H GLY 48 HN GLY 48 -13.848 7.154 7.288 346 1HA GLY 48 HA2 GLY 48 -14.800 6.918 4.500 347 2HA GLY 48 HA1 GLY 48 -14.025 8.376 5.099 348 H ALA 49 HN ALA 49 -12.260 6.414 6.733 349 HA ALA 49 HA ALA 49 -10.199 6.253 4.684 350 1HB ALA 49 HB1 ALA 49 -8.685 5.747 6.533 351 2HB ALA 49 HB2 ALA 49 -10.053 5.670 7.643 352 3HB ALA 49 HB3 ALA 49 -9.630 7.197 6.871 353 H VAL 50 HN VAL 50 -9.139 4.325 4.104 354 HA VAL 50 HA VAL 50 -10.660 1.894 4.760 355 HB VAL 50 HB VAL 50 -9.859 0.989 2.566 356 1HG1 VAL 50 HG11 VAL 50 -11.468 2.265 1.208 357 2HG1 VAL 50 HG12 VAL 50 -11.552 3.483 2.481 358 3HG1 VAL 50 HG13 VAL 50 -12.111 1.840 2.791 359 1HG2 VAL 50 HG21 VAL 50 -9.035 3.852 2.093 360 2HG2 VAL 50 HG22 VAL 50 -9.073 2.577 0.874 361 3HG2 VAL 50 HG23 VAL 50 -7.952 2.467 2.232 362 H ASP 51 HN ASP 51 -9.618 0.142 5.468 363 HA ASP 51 HA ASP 51 -6.676 0.114 5.424 364 1HB ASP 51 HB2 ASP 51 -7.670 0.838 7.670 365 2HB ASP 51 HB1 ASP 51 -8.322 -0.793 7.795 366 H TYR 52 HN TYR 52 -5.958 -1.734 4.523 367 HA TYR 52 HA TYR 52 -7.860 -3.876 4.062 368 1HB TYR 52 HB2 TYR 52 -5.118 -3.289 3.000 369 2HB TYR 52 HB1 TYR 52 -5.834 -4.881 2.801 370 HD1 TYR 52 HD1 TYR 52 -7.018 -1.343 2.427 371 HD2 TYR 52 HD2 TYR 52 -6.729 -5.232 0.723 372 HE1 TYR 52 HE1 TYR 52 -8.207 -0.548 0.427 373 HE2 TYR 52 HE2 TYR 52 -7.916 -4.449 -1.282 374 HH TYR 52 HH TYR 52 -9.396 -2.704 -1.988 375 H PHE 53 HN PHE 53 -8.070 -5.507 5.313 376 HA PHE 53 HA PHE 53 -5.914 -6.496 7.023 377 1HB PHE 53 HB2 PHE 53 -7.190 -4.457 8.008 378 2HB PHE 53 HB1 PHE 53 -8.514 -5.590 8.228 379 HD1 PHE 53 HD2 PHE 53 -4.956 -5.027 9.065 380 HD2 PHE 53 HD1 PHE 53 -8.622 -6.896 10.137 381 HE1 PHE 53 HE2 PHE 53 -3.993 -5.659 11.236 382 HE2 PHE 53 HE1 PHE 53 -7.669 -7.526 12.314 383 HZ PHE 53 HZ PHE 53 -5.351 -6.907 12.866 384 H CYS 54 HN CYS 54 -6.065 -8.551 6.288 385 HA CYS 54 HA CYS 54 -8.586 -9.618 5.430 386 1HB CYS 54 HB2 CYS 54 -7.176 -11.683 4.922 387 2HB CYS 54 HB1 CYS 54 -6.782 -10.216 4.040 388 H GLN 55 HN GLN 55 -9.801 -9.729 7.350 389 HA GLN 55 HA GLN 55 -8.931 -11.406 9.512 390 1HB GLN 55 HB2 GLN 55 -11.713 -10.398 8.878 391 2HB GLN 55 HB1 GLN 55 -11.195 -11.110 10.400 392 1HG GLN 55 HG2 GLN 55 -9.567 -9.225 10.629 393 2HG GLN 55 HG1 GLN 55 -10.323 -8.489 9.216 394 1HE2 GLN 55 HE21 GLN 55 -12.467 -7.751 9.373 395 2HE2 GLN 55 HE22 GLN 55 -13.181 -7.402 10.911 396 H ASN 56 HN ASN 56 -10.888 -11.736 6.647 397 HA ASN 56 HA ASN 56 -11.120 -14.620 7.165 398 1HB ASN 56 HB2 ASN 56 -12.800 -12.809 5.415 399 2HB ASN 56 HB1 ASN 56 -12.919 -14.566 5.398 400 1HD2 ASN 56 HD21 ASN 56 -14.937 -12.596 6.097 401 2HD2 ASN 56 HD22 ASN 56 -15.417 -12.963 7.720 402 H GLY 57 HN GLY 57 -9.917 -15.923 5.967 403 1HA GLY 57 HA2 GLY 57 -8.976 -16.605 3.852 404 2HA GLY 57 HA1 GLY 57 -8.855 -14.906 3.406 405 H HIS 58 HN HIS 58 -8.024 -15.141 6.561 406 HA HIS 58 HA HIS 58 -5.384 -16.145 6.482 407 1HB HIS 58 HB2 HIS 58 -5.001 -14.139 5.082 408 2HB HIS 58 HB1 HIS 58 -5.644 -13.124 6.365 409 HD2 HIS 58 HD2 HIS 58 -3.931 -13.531 8.865 410 HE1 HIS 58 HE1 HIS 58 -0.489 -13.816 6.419 411 HE2 HIS 58 HE2 HIS 58 -1.352 -13.681 8.776 412 H GLY 59 HN GLY 59 -6.766 -13.224 7.934 413 1HA GLY 59 HA2 GLY 59 -7.663 -13.532 10.289 414 2HA GLY 59 HA1 GLY 59 -6.128 -14.348 10.583 415 H LEU 60 HN LEU 60 -6.872 -12.085 12.039 416 HA LEU 60 HA LEU 60 -6.077 -9.641 10.932 417 1HB LEU 60 HB2 LEU 60 -5.678 -9.045 13.435 418 2HB LEU 60 HB1 LEU 60 -7.296 -9.382 12.859 419 HG LEU 60 HG LEU 60 -6.866 -11.787 13.721 420 1HD1 LEU 60 HD11 LEU 60 -4.478 -11.556 14.133 421 2HD1 LEU 60 HD12 LEU 60 -5.346 -11.921 15.624 422 3HD1 LEU 60 HD13 LEU 60 -4.795 -10.277 15.305 423 1HD2 LEU 60 HD21 LEU 60 -7.658 -11.148 15.942 424 2HD2 LEU 60 HD22 LEU 60 -8.483 -10.240 14.674 425 3HD2 LEU 60 HD23 LEU 60 -7.207 -9.474 15.621 426 H ILE 61 HN ILE 61 -4.228 -8.688 10.579 427 HA ILE 61 HA ILE 61 -1.736 -10.080 11.280 428 HB ILE 61 HB ILE 61 -1.905 -7.763 9.357 429 1HG1 ILE 61 HG12 ILE 61 -1.928 -9.679 7.551 430 2HG1 ILE 61 HG11 ILE 61 -2.736 -10.593 8.820 431 1HG2 ILE 61 HG21 ILE 61 -0.043 -10.129 9.502 432 2HG2 ILE 61 HG22 ILE 61 0.303 -8.497 10.074 433 3HG2 ILE 61 HG23 ILE 61 0.062 -8.795 8.351 434 1HD1 ILE 61 HD11 ILE 61 -3.661 -7.976 7.658 435 2HD1 ILE 61 HD12 ILE 61 -4.469 -8.870 8.945 436 3HD1 ILE 61 HD13 ILE 61 -4.344 -9.569 7.330 437 H SER 62 HN SER 62 0.029 -8.781 12.142 438 HA SER 62 HA SER 62 -0.749 -6.495 13.683 439 1HB SER 62 HB2 SER 62 1.131 -7.931 14.391 440 2HB SER 62 HB1 SER 62 2.014 -7.506 12.927 441 HG SER 62 HG SER 62 1.118 -5.538 14.763 442 H LYS 63 HN LYS 63 -1.098 -4.496 12.840 443 HA LYS 63 HA LYS 63 -0.366 -3.984 10.124 444 1HB LYS 63 HB2 LYS 63 -1.236 -1.615 10.671 445 2HB LYS 63 HB1 LYS 63 -2.361 -2.957 10.615 446 1HG LYS 63 HG2 LYS 63 -2.948 -1.604 12.460 447 2HG LYS 63 HG1 LYS 63 -2.225 -3.075 13.103 448 1HD LYS 63 HD2 LYS 63 -0.420 -1.979 13.940 449 2HD LYS 63 HD1 LYS 63 -0.412 -0.778 12.645 450 1HE LYS 63 HE2 LYS 63 -1.023 0.087 14.934 451 2HE LYS 63 HE1 LYS 63 -2.168 0.452 13.646 452 1HZ LYS 63 HZ1 LYS 63 -3.237 -0.288 15.714 453 2HZ LYS 63 HZ2 LYS 63 -2.466 -1.790 15.576 454 3HZ LYS 63 HZ3 LYS 63 -3.597 -1.304 14.407 455 H LYS 64 HN LYS 64 1.561 -4.100 12.656 456 HA LYS 64 HA LYS 64 3.322 -1.942 11.782 457 1HB LYS 64 HB2 LYS 64 3.761 -4.110 13.853 458 2HB LYS 64 HB1 LYS 64 4.828 -2.746 13.554 459 1HG LYS 64 HG2 LYS 64 3.128 -1.203 14.317 460 2HG LYS 64 HG1 LYS 64 1.987 -2.532 14.531 461 1HD LYS 64 HD2 LYS 64 2.893 -1.985 16.678 462 2HD LYS 64 HD1 LYS 64 3.577 -3.533 16.180 463 1HE LYS 64 HE2 LYS 64 5.344 -2.234 17.116 464 2HE LYS 64 HE1 LYS 64 5.591 -2.290 15.372 465 1HZ LYS 64 HZ1 LYS 64 5.952 -0.068 16.211 466 2HZ LYS 64 HZ2 LYS 64 4.405 -0.032 16.894 467 3HZ LYS 64 HZ3 LYS 64 4.586 -0.081 15.209 468 H ARG 65 HN ARG 65 2.479 -5.009 10.869 469 HA ARG 65 HA ARG 65 5.140 -5.645 9.767 470 1HB ARG 65 HB2 ARG 65 2.860 -7.463 10.545 471 2HB ARG 65 HB1 ARG 65 4.287 -8.003 9.677 472 1HG ARG 65 HG2 ARG 65 4.408 -6.691 12.377 473 2HG ARG 65 HG1 ARG 65 4.267 -8.434 12.148 474 1HD ARG 65 HD2 ARG 65 6.554 -8.087 12.402 475 2HD ARG 65 HD1 ARG 65 6.332 -8.213 10.660 476 HE ARG 65 HE ARG 65 6.302 -5.520 11.736 477 1HH1 ARG 65 HH11 ARG 65 8.145 -8.054 10.167 478 2HH1 ARG 65 HH12 ARG 65 9.472 -7.000 9.752 479 1HH2 ARG 65 HH21 ARG 65 8.030 -4.134 11.161 480 2HH2 ARG 65 HH22 ARG 65 9.394 -4.775 10.304 481 H VAL 66 HN VAL 66 1.911 -4.839 8.996 482 HA VAL 66 HA VAL 66 1.533 -6.196 6.569 483 HB VAL 66 HB VAL 66 -0.086 -4.423 5.989 484 1HG1 VAL 66 HG11 VAL 66 -1.607 -4.793 7.871 485 2HG1 VAL 66 HG12 VAL 66 -0.258 -5.394 8.835 486 3HG1 VAL 66 HG13 VAL 66 -0.776 -6.276 7.399 487 1HG2 VAL 66 HG21 VAL 66 0.849 -3.112 8.541 488 2HG2 VAL 66 HG22 VAL 66 -0.530 -2.606 7.563 489 3HG2 VAL 66 HG23 VAL 66 1.104 -2.498 6.906 490 H ASN 67 HN ASN 67 1.920 -5.645 4.436 491 HA ASN 67 HA ASN 67 4.175 -3.799 4.126 492 1HB ASN 67 HB2 ASN 67 3.197 -6.072 2.402 493 2HB ASN 67 HB1 ASN 67 4.430 -4.935 1.871 494 1HD2 ASN 67 HD21 ASN 67 5.477 -4.730 4.649 495 2HD2 ASN 67 HD22 ASN 67 6.402 -6.174 4.885 496 H PHE 68 HN PHE 68 3.335 -1.809 3.835 497 HA PHE 68 HA PHE 68 1.217 -1.290 1.975 498 1HB PHE 68 HB2 PHE 68 3.108 0.428 3.548 499 2HB PHE 68 HB1 PHE 68 2.183 1.135 2.229 500 HD1 PHE 68 HD2 PHE 68 1.817 -0.754 5.413 501 HD2 PHE 68 HD1 PHE 68 -0.009 1.805 2.544 502 HE1 PHE 68 HE2 PHE 68 -0.111 -0.456 6.908 503 HE2 PHE 68 HE1 PHE 68 -1.941 2.105 4.036 504 HZ PHE 68 HZ PHE 68 -1.994 0.972 6.221 505 H VAL 69 HN VAL 69 1.587 -1.836 -0.066 506 HA VAL 69 HA VAL 69 4.225 -1.324 -1.225 507 HB VAL 69 HB VAL 69 3.472 -2.731 -3.110 508 1HG1 VAL 69 HG11 VAL 69 4.656 -3.755 -1.251 509 2HG1 VAL 69 HG12 VAL 69 3.445 -4.864 -1.896 510 3HG1 VAL 69 HG13 VAL 69 3.133 -3.996 -0.392 511 1HG2 VAL 69 HG21 VAL 69 1.386 -4.006 -2.926 512 2HG2 VAL 69 HG22 VAL 69 1.079 -2.271 -3.009 513 3HG2 VAL 69 HG23 VAL 69 0.971 -3.113 -1.463 514 H ILE 70 HN ILE 70 4.505 -0.175 -3.124 515 HA ILE 70 HA ILE 70 2.535 1.880 -3.632 516 HB ILE 70 HB ILE 70 5.274 1.389 -4.807 517 1HG1 ILE 70 HG12 ILE 70 4.247 3.490 -2.886 518 2HG1 ILE 70 HG11 ILE 70 5.246 2.108 -2.454 519 1HG2 ILE 70 HG21 ILE 70 3.948 2.465 -6.492 520 2HG2 ILE 70 HG22 ILE 70 5.039 3.661 -5.789 521 3HG2 ILE 70 HG23 ILE 70 3.338 3.636 -5.327 522 1HD1 ILE 70 HD11 ILE 70 6.056 4.378 -4.254 523 2HD1 ILE 70 HD12 ILE 70 7.059 2.993 -3.826 524 3HD1 ILE 70 HD13 ILE 70 6.560 4.138 -2.582 525 H SER 71 HN SER 71 0.996 1.701 -5.115 526 HA SER 71 HA SER 71 1.021 -0.544 -6.933 527 1HB SER 71 HB2 SER 71 -1.036 1.658 -6.656 528 2HB SER 71 HB1 SER 71 -1.256 0.103 -7.462 529 HG SER 71 HG SER 71 -0.378 -0.140 -4.883 530 H ASP 72 HN ASP 72 2.891 0.159 -8.185 531 HA ASP 72 HA ASP 72 2.163 2.206 -10.174 532 1HB ASP 72 HB2 ASP 72 4.438 2.630 -10.582 533 2HB ASP 72 HB1 ASP 72 4.354 2.435 -8.836 534 H GLN 73 HN GLN 73 2.805 -1.130 -9.653 535 HA GLN 73 HA GLN 73 3.025 -1.704 -12.493 536 1HB GLN 73 HB2 GLN 73 3.024 -3.509 -10.071 537 2HB GLN 73 HB1 GLN 73 3.123 -4.095 -11.723 538 1HG GLN 73 HG2 GLN 73 5.121 -2.312 -10.349 539 2HG GLN 73 HG1 GLN 73 5.309 -4.032 -10.683 540 1HE2 GLN 73 HE21 GLN 73 5.473 -0.841 -11.948 541 2HE2 GLN 73 HE22 GLN 73 6.065 -1.267 -13.523 542 H LEU 74 HN LEU 74 0.904 -0.764 -12.934 543 HA LEU 74 HA LEU 74 -1.302 -2.580 -12.242 544 1HB LEU 74 HB2 LEU 74 -1.573 -0.150 -11.724 545 2HB LEU 74 HB1 LEU 74 -1.450 0.190 -13.439 546 HG LEU 74 HG LEU 74 -3.496 -1.128 -13.840 547 1HD1 LEU 74 HD11 LEU 74 -3.591 -1.348 -10.834 548 2HD1 LEU 74 HD12 LEU 74 -3.330 -2.671 -11.969 549 3HD1 LEU 74 HD13 LEU 74 -4.876 -1.824 -11.943 550 1HD2 LEU 74 HD21 LEU 74 -5.064 0.460 -12.833 551 2HD2 LEU 74 HD22 LEU 74 -3.656 1.278 -13.511 552 3HD2 LEU 74 HD23 LEU 74 -3.787 1.044 -11.768 553 H GLU 75 HN GLU 75 0.811 -1.633 -14.703 554 HA GLU 75 HA GLU 75 -0.845 -2.399 -16.924 555 1HB GLU 75 HB2 GLU 75 2.097 -1.774 -16.668 556 2HB GLU 75 HB1 GLU 75 1.368 -2.297 -18.178 557 1HG GLU 75 HG2 GLU 75 1.582 0.090 -18.168 558 2HG GLU 75 HG1 GLU 75 -0.123 -0.347 -18.111 559 H HIS 76 HN HIS 76 -0.712 -4.278 -18.110 560 HA HIS 76 HA HIS 76 -0.635 -6.529 -18.376 561 1HB HIS 76 HB2 HIS 76 1.833 -5.988 -18.610 562 2HB HIS 76 HB1 HIS 76 2.017 -6.413 -16.914 563 HD1 HIS 76 HD1 HIS 76 2.225 -7.827 -20.217 564 HD2 HIS 76 HD2 HIS 76 1.227 -9.248 -16.438 565 HE1 HIS 76 HE1 HIS 76 2.430 -10.325 -20.357 566 HE2 HIS 76 HE2 HIS 76 2.023 -11.143 -18.008 567 H HIS 77 HN HIS 77 -2.409 -6.221 -16.702 568 HA HIS 77 HA HIS 77 -1.936 -6.847 -13.987 569 1HB HIS 77 HB2 HIS 77 -4.023 -5.770 -15.099 570 2HB HIS 77 HB1 HIS 77 -4.540 -7.428 -15.383 571 HD1 HIS 77 HD1 HIS 77 -4.836 -4.799 -12.986 572 HD2 HIS 77 HD2 HIS 77 -4.598 -8.946 -12.777 573 HE1 HIS 77 HE1 HIS 77 -5.687 -5.411 -10.703 574 HE2 HIS 77 HE2 HIS 77 -5.712 -7.931 -10.666 575 H HIS 78 HN HIS 78 -1.717 -8.734 -12.975 576 HA HIS 78 HA HIS 78 -0.951 -11.008 -14.377 577 1HB HIS 78 HB2 HIS 78 -1.655 -10.517 -11.504 578 2HB HIS 78 HB1 HIS 78 -1.273 -12.141 -12.067 579 HD1 HIS 78 HD1 HIS 78 1.077 -12.736 -11.735 580 HD2 HIS 78 HD2 HIS 78 0.613 -8.647 -12.349 581 HE1 HIS 78 HE1 HIS 78 3.389 -11.750 -11.540 582 HE2 HIS 78 HE2 HIS 78 3.097 -9.280 -11.965 583 H HIS 79 HN HIS 79 -2.196 -12.140 -15.641 584 HA HIS 79 HA HIS 79 -4.198 -13.804 -14.485 585 1HB HIS 79 HB2 HIS 79 -6.005 -13.273 -16.104 586 2HB HIS 79 HB1 HIS 79 -5.684 -11.945 -15.001 587 HD1 HIS 79 HD1 HIS 79 -5.722 -9.762 -16.113 588 HD2 HIS 79 HD2 HIS 79 -4.481 -12.767 -18.708 589 HE1 HIS 79 HE1 HIS 79 -5.367 -8.639 -18.336 590 HE2 HIS 79 HE2 HIS 79 -4.806 -10.508 -19.929 591 H HIS 80 HN HIS 80 -4.915 -15.472 -16.159 592 HA HIS 80 HA HIS 80 -2.511 -16.083 -17.706 593 1HB HIS 80 HB2 HIS 80 -3.637 -17.723 -16.062 594 2HB HIS 80 HB1 HIS 80 -4.844 -17.946 -17.324 595 HD1 HIS 80 HD1 HIS 80 -1.619 -19.158 -16.201 596 HD2 HIS 80 HD2 HIS 80 -3.637 -18.931 -19.833 597 HE1 HIS 80 HE1 HIS 80 -0.440 -20.765 -17.740 598 HE2 HIS 80 HE2 HIS 80 -1.567 -20.477 -19.976 599 H HIS 81 HN HIS 81 -6.003 -15.751 -18.113 600 HA HIS 81 HA HIS 81 -5.689 -14.839 -20.804 601 1HB HIS 81 HB2 HIS 81 -5.494 -17.254 -21.219 602 2HB HIS 81 HB1 HIS 81 -7.000 -17.537 -20.357 603 HD1 HIS 81 HD1 HIS 81 -5.690 -16.000 -23.554 604 HD2 HIS 81 HD2 HIS 81 -9.279 -17.271 -21.871 605 HE1 HIS 81 HE1 HIS 81 -7.377 -15.947 -25.421 606 HE2 HIS 81 HE2 HIS 81 -9.485 -16.911 -24.424 Start of MODEL 17 1 1H MET 1 HT1 MET 1 13.269 1.817 5.707 2 2H MET 1 HT2 MET 1 13.028 0.442 4.747 3 3H MET 1 HT3 MET 1 11.919 0.832 5.969 4 HA MET 1 HA MET 1 12.481 2.530 3.618 5 1HB MET 1 HB2 MET 1 10.302 1.781 2.740 6 2HB MET 1 HB1 MET 1 11.451 0.461 2.865 7 1HG MET 1 HG2 MET 1 10.364 -0.333 4.880 8 2HG MET 1 HG1 MET 1 9.247 1.029 4.836 9 1HE MET 1 HE1 MET 1 6.933 -2.002 3.938 10 2HE MET 1 HE2 MET 1 7.185 -0.629 5.017 11 3HE MET 1 HE3 MET 1 8.288 -2.005 5.068 12 H GLU 2 HN GLU 2 11.988 4.552 4.047 13 HA GLU 2 HA GLU 2 9.981 5.132 6.124 14 1HB GLU 2 HB2 GLU 2 12.197 6.882 5.025 15 2HB GLU 2 HB1 GLU 2 11.034 7.377 6.243 16 1HG GLU 2 HG2 GLU 2 13.001 6.857 7.406 17 2HG GLU 2 HG1 GLU 2 11.919 5.493 7.676 18 H ILE 3 HN ILE 3 9.220 4.377 3.530 19 HA ILE 3 HA ILE 3 7.926 4.930 1.757 20 HB ILE 3 HB ILE 3 7.586 7.687 2.952 21 1HG1 ILE 3 HG12 ILE 3 6.967 5.994 4.634 22 2HG1 ILE 3 HG11 ILE 3 5.541 6.829 4.027 23 1HG2 ILE 3 HG21 ILE 3 5.904 6.064 1.053 24 2HG2 ILE 3 HG22 ILE 3 6.866 7.487 0.651 25 3HG2 ILE 3 HG23 ILE 3 5.462 7.640 1.709 26 1HD1 ILE 3 HD11 ILE 3 6.472 4.090 3.186 27 2HD1 ILE 3 HD12 ILE 3 5.037 4.922 2.587 28 3HD1 ILE 3 HD13 ILE 3 5.136 4.446 4.282 29 H THR 4 HN THR 4 9.566 4.816 0.266 30 HA THR 4 HA THR 4 10.936 7.337 -0.368 31 HB THR 4 HB THR 4 12.807 5.676 -1.158 32 HG1 THR 4 HG1 THR 4 12.840 3.754 -0.034 33 1HG2 THR 4 HG21 THR 4 13.877 5.843 1.039 34 2HG2 THR 4 HG22 THR 4 12.325 6.263 1.764 35 3HG2 THR 4 HG23 THR 4 13.084 7.356 0.605 36 H CYS 5 HN CYS 5 10.923 7.954 -2.436 37 HA CYS 5 HA CYS 5 9.476 6.449 -4.401 38 1HB CYS 5 HB2 CYS 5 9.353 8.890 -4.368 39 2HB CYS 5 HB1 CYS 5 11.090 9.004 -4.603 40 HA PRO 6 HA PRO 6 12.733 3.905 -5.932 41 1HB PRO 6 HB2 PRO 6 12.010 3.887 -8.610 42 2HB PRO 6 HB1 PRO 6 11.338 2.833 -7.364 43 1HG PRO 6 HG2 PRO 6 10.239 5.371 -8.492 44 2HG PRO 6 HG1 PRO 6 9.390 3.880 -8.049 45 1HD PRO 6 HD2 PRO 6 9.311 6.030 -6.468 46 2HD PRO 6 HD1 PRO 6 9.411 4.394 -5.780 47 H VAL 7 HN VAL 7 12.175 7.059 -7.293 48 HA VAL 7 HA VAL 7 14.952 7.072 -8.283 49 HB VAL 7 HB VAL 7 14.265 8.845 -9.885 50 1HG1 VAL 7 HG11 VAL 7 13.118 7.347 -11.462 51 2HG1 VAL 7 HG12 VAL 7 12.792 6.224 -10.142 52 3HG1 VAL 7 HG13 VAL 7 14.454 6.544 -10.638 53 1HG2 VAL 7 HG21 VAL 7 11.468 8.119 -9.010 54 2HG2 VAL 7 HG22 VAL 7 11.882 9.161 -10.372 55 3HG2 VAL 7 HG23 VAL 7 12.280 9.659 -8.728 56 H CYS 8 HN CYS 8 13.124 8.038 -5.829 57 HA CYS 8 HA CYS 8 14.784 10.392 -5.333 58 1HB CYS 8 HB2 CYS 8 11.795 10.332 -4.842 59 2HB CYS 8 HB1 CYS 8 12.887 11.661 -4.467 60 H HIS 9 HN HIS 9 15.811 8.559 -4.191 61 HA HIS 9 HA HIS 9 14.469 7.399 -1.939 62 1HB HIS 9 HB2 HIS 9 17.361 7.320 -2.804 63 2HB HIS 9 HB1 HIS 9 16.720 6.426 -1.432 64 HD1 HIS 9 HD1 HIS 9 17.472 6.029 -4.899 65 HD2 HIS 9 HD2 HIS 9 14.531 4.584 -2.337 66 HE1 HIS 9 HE1 HIS 9 16.542 3.978 -6.016 67 HE2 HIS 9 HE2 HIS 9 15.002 2.969 -4.302 68 H HIS 10 HN HIS 10 13.904 8.963 -0.468 69 HA HIS 10 HA HIS 10 15.897 9.334 1.486 70 1HB HIS 10 HB2 HIS 10 15.905 11.758 1.723 71 2HB HIS 10 HB1 HIS 10 16.516 11.296 0.146 72 HD1 HIS 10 HD1 HIS 10 13.892 13.274 1.830 73 HD2 HIS 10 HD2 HIS 10 14.789 12.004 -2.035 74 HE1 HIS 10 HE1 HIS 10 12.489 14.699 0.300 75 HE2 HIS 10 HE2 HIS 10 13.233 14.068 -2.022 76 H ALA 11 HN ALA 11 12.797 10.617 0.432 77 HA ALA 11 HA ALA 11 11.206 9.315 2.284 78 1HB ALA 11 HB1 ALA 11 12.339 10.637 4.010 79 2HB ALA 11 HB2 ALA 11 10.646 11.107 3.870 80 3HB ALA 11 HB3 ALA 11 11.904 12.124 3.168 81 H LEU 12 HN LEU 12 8.981 10.010 2.128 82 HA LEU 12 HA LEU 12 8.529 11.928 -0.060 83 1HB LEU 12 HB2 LEU 12 6.811 9.573 0.736 84 2HB LEU 12 HB1 LEU 12 6.435 10.717 -0.538 85 HG LEU 12 HG LEU 12 8.658 8.682 -0.498 86 1HD1 LEU 12 HD11 LEU 12 6.324 9.097 -2.362 87 2HD1 LEU 12 HD12 LEU 12 6.456 7.842 -1.131 88 3HD1 LEU 12 HD13 LEU 12 7.558 7.845 -2.507 89 1HD2 LEU 12 HD21 LEU 12 9.488 10.807 -1.393 90 2HD2 LEU 12 HD22 LEU 12 8.153 10.832 -2.547 91 3HD2 LEU 12 HD23 LEU 12 9.373 9.563 -2.636 92 H GLU 13 HN GLU 13 6.126 12.744 0.081 93 HA GLU 13 HA GLU 13 5.872 13.907 2.747 94 1HB GLU 13 HB2 GLU 13 5.885 15.403 0.776 95 2HB GLU 13 HB1 GLU 13 4.455 14.587 0.162 96 1HG GLU 13 HG2 GLU 13 3.259 15.300 2.236 97 2HG GLU 13 HG1 GLU 13 4.674 16.272 2.640 98 H ARG 14 HN ARG 14 4.589 12.834 4.137 99 HA ARG 14 HA ARG 14 2.482 11.128 3.172 100 1HB ARG 14 HB2 ARG 14 3.717 10.473 5.169 101 2HB ARG 14 HB1 ARG 14 3.213 11.945 5.988 102 1HG ARG 14 HG2 ARG 14 0.968 11.227 6.115 103 2HG ARG 14 HG1 ARG 14 1.252 9.906 4.981 104 1HD ARG 14 HD2 ARG 14 1.083 9.221 7.383 105 2HD ARG 14 HD1 ARG 14 2.559 8.714 6.566 106 HE ARG 14 HE ARG 14 3.166 11.117 7.765 107 1HH1 ARG 14 HH11 ARG 14 1.984 8.011 8.843 108 2HH1 ARG 14 HH12 ARG 14 2.786 8.082 10.383 109 1HH2 ARG 14 HH21 ARG 14 4.228 11.241 9.767 110 2HH2 ARG 14 HH22 ARG 14 4.081 9.935 10.912 111 H ASN 15 HN ASN 15 1.030 12.310 2.131 112 HA ASN 15 HA ASN 15 -0.267 14.542 3.544 113 1HB ASN 15 HB2 ASN 15 0.770 15.078 1.351 114 2HB ASN 15 HB1 ASN 15 -0.266 13.879 0.586 115 1HD2 ASN 15 HD21 ASN 15 -1.229 15.401 -0.750 116 2HD2 ASN 15 HD22 ASN 15 -2.344 16.587 -0.161 117 H GLY 16 HN GLY 16 -1.966 13.760 4.632 118 1HA GLY 16 HA2 GLY 16 -4.019 12.783 4.999 119 2HA GLY 16 HA1 GLY 16 -4.168 12.582 3.258 120 H ASP 17 HN ASP 17 -1.623 11.347 5.333 121 HA ASP 17 HA ASP 17 -0.834 9.270 5.769 122 1HB ASP 17 HB2 ASP 17 -3.282 9.051 6.603 123 2HB ASP 17 HB1 ASP 17 -3.530 8.086 5.151 124 H THR 18 HN THR 18 -1.362 10.370 2.931 125 HA THR 18 HA THR 18 -0.825 7.881 1.449 126 HB THR 18 HB THR 18 -1.621 10.519 0.211 127 HG1 THR 18 HG1 THR 18 -3.115 9.399 1.922 128 1HG2 THR 18 HG21 THR 18 -0.795 8.844 -1.340 129 2HG2 THR 18 HG22 THR 18 -2.536 9.030 -1.554 130 3HG2 THR 18 HG23 THR 18 -1.899 7.641 -0.674 131 H ALA 19 HN ALA 19 0.753 8.351 -0.502 132 HA ALA 19 HA ALA 19 2.963 9.928 0.644 133 1HB ALA 19 HB1 ALA 19 4.485 8.424 -0.514 134 2HB ALA 19 HB2 ALA 19 3.116 7.545 -1.193 135 3HB ALA 19 HB3 ALA 19 3.398 7.528 0.548 136 H HIS 20 HN HIS 20 2.874 11.854 -0.320 137 HA HIS 20 HA HIS 20 2.597 11.990 -3.236 138 1HB HIS 20 HB2 HIS 20 1.246 13.520 -1.775 139 2HB HIS 20 HB1 HIS 20 2.747 14.242 -1.210 140 HD1 HIS 20 HD1 HIS 20 0.360 14.224 -4.057 141 HD2 HIS 20 HD2 HIS 20 4.063 15.891 -3.127 142 HE1 HIS 20 HE1 HIS 20 0.757 16.018 -5.781 143 HE2 HIS 20 HE2 HIS 20 2.905 17.139 -5.078 144 H CYS 21 HN CYS 21 4.390 12.114 -4.470 145 HA CYS 21 HA CYS 21 6.956 12.403 -3.185 146 1HB CYS 21 HB2 CYS 21 6.706 10.853 -5.075 147 2HB CYS 21 HB1 CYS 21 6.293 12.200 -6.132 148 H GLU 22 HN GLU 22 8.049 14.178 -2.914 149 HA GLU 22 HA GLU 22 6.988 16.719 -3.358 150 1HB GLU 22 HB2 GLU 22 8.641 16.217 -1.613 151 2HB GLU 22 HB1 GLU 22 9.854 15.896 -2.843 152 1HG GLU 22 HG2 GLU 22 9.649 18.251 -3.585 153 2HG GLU 22 HG1 GLU 22 8.566 18.540 -2.223 154 H THR 23 HN THR 23 9.479 14.931 -5.159 155 HA THR 23 HA THR 23 9.890 17.213 -6.901 156 HB THR 23 HB THR 23 11.728 15.873 -7.878 157 HG1 THR 23 HG1 THR 23 10.450 13.829 -6.921 158 1HG2 THR 23 HG21 THR 23 13.160 15.884 -5.892 159 2HG2 THR 23 HG22 THR 23 11.733 16.001 -4.861 160 3HG2 THR 23 HG23 THR 23 12.145 17.324 -5.951 161 H CYS 24 HN CYS 24 8.539 13.950 -7.125 162 HA CYS 24 HA CYS 24 8.292 14.160 -10.004 163 1HB CYS 24 HB2 CYS 24 7.351 12.013 -8.094 164 2HB CYS 24 HB1 CYS 24 7.229 11.926 -9.848 165 H ALA 25 HN ALA 25 6.445 14.959 -7.258 166 HA ALA 25 HA ALA 25 4.386 15.845 -6.948 167 1HB ALA 25 HB1 ALA 25 5.068 17.336 -8.774 168 2HB ALA 25 HB2 ALA 25 3.331 17.030 -8.780 169 3HB ALA 25 HB3 ALA 25 4.375 16.209 -9.941 170 H LYS 26 HN LYS 26 4.817 12.943 -7.807 171 HA LYS 26 HA LYS 26 2.154 12.278 -8.797 172 1HB LYS 26 HB2 LYS 26 4.549 10.521 -8.214 173 2HB LYS 26 HB1 LYS 26 3.029 9.962 -8.894 174 1HG LYS 26 HG2 LYS 26 3.384 11.304 -10.879 175 2HG LYS 26 HG1 LYS 26 4.867 11.966 -10.188 176 1HD LYS 26 HD2 LYS 26 5.843 9.718 -10.150 177 2HD LYS 26 HD1 LYS 26 4.361 9.065 -10.847 178 1HE LYS 26 HE2 LYS 26 6.113 11.137 -12.163 179 2HE LYS 26 HE1 LYS 26 6.173 9.410 -12.506 180 1HZ LYS 26 HZ1 LYS 26 3.945 9.483 -13.340 181 2HZ LYS 26 HZ2 LYS 26 4.840 10.695 -14.114 182 3HZ LYS 26 HZ3 LYS 26 3.758 11.105 -12.873 183 H ASP 27 HN ASP 27 0.722 10.957 -7.638 184 HA ASP 27 HA ASP 27 1.215 10.922 -4.740 185 1HB ASP 27 HB2 ASP 27 -1.352 10.984 -6.325 186 2HB ASP 27 HB1 ASP 27 -1.313 10.605 -4.605 187 H PHE 28 HN PHE 28 1.853 9.066 -3.998 188 HA PHE 28 HA PHE 28 1.017 6.591 -5.335 189 1HB PHE 28 HB2 PHE 28 3.224 7.010 -3.304 190 2HB PHE 28 HB1 PHE 28 2.906 5.540 -4.216 191 HD1 PHE 28 HD1 PHE 28 3.254 5.558 -6.708 192 HD2 PHE 28 HD2 PHE 28 4.565 8.722 -4.178 193 HE1 PHE 28 HE1 PHE 28 4.801 6.319 -8.462 194 HE2 PHE 28 HE2 PHE 28 6.111 9.487 -5.931 195 HZ PHE 28 HZ PHE 28 6.231 8.286 -8.073 196 H SER 29 HN SER 29 -0.514 5.425 -4.381 197 HA SER 29 HA SER 29 -1.441 6.153 -1.749 198 1HB SER 29 HB2 SER 29 -3.003 5.631 -3.643 199 2HB SER 29 HB1 SER 29 -2.457 3.956 -3.573 200 HG SER 29 HG SER 29 -4.227 3.988 -2.310 201 H LEU 30 HN LEU 30 -1.523 4.780 0.043 202 HA LEU 30 HA LEU 30 0.500 2.662 0.018 203 1HB LEU 30 HB2 LEU 30 -0.720 4.300 2.226 204 2HB LEU 30 HB1 LEU 30 0.120 2.803 2.571 205 HG LEU 30 HG LEU 30 1.631 4.604 2.957 206 1HD1 LEU 30 HD11 LEU 30 3.435 4.097 1.380 207 2HD1 LEU 30 HD12 LEU 30 2.279 3.272 0.334 208 3HD1 LEU 30 HD13 LEU 30 2.617 2.639 1.945 209 1HD2 LEU 30 HD21 LEU 30 2.242 6.220 1.231 210 2HD2 LEU 30 HD22 LEU 30 0.531 6.326 1.649 211 3HD2 LEU 30 HD23 LEU 30 1.027 5.529 0.156 212 H GLN 31 HN GLN 31 -0.256 0.709 -0.311 213 HA GLN 31 HA GLN 31 -2.932 0.047 0.719 214 1HB GLN 31 HB2 GLN 31 -1.413 -1.123 -1.620 215 2HB GLN 31 HB1 GLN 31 -2.945 -1.743 -1.019 216 1HG GLN 31 HG2 GLN 31 -4.037 0.350 -1.560 217 2HG GLN 31 HG1 GLN 31 -2.502 1.032 -2.093 218 1HE2 GLN 31 HE21 GLN 31 -1.625 0.371 -4.047 219 2HE2 GLN 31 HE22 GLN 31 -2.551 -0.484 -5.228 220 H ALA 32 HN ALA 32 -3.143 -1.602 2.095 221 HA ALA 32 HA ALA 32 -0.766 -2.733 3.252 222 1HB ALA 32 HB1 ALA 32 -2.304 -3.754 4.855 223 2HB ALA 32 HB2 ALA 32 -3.678 -3.238 3.877 224 3HB ALA 32 HB3 ALA 32 -2.649 -2.037 4.657 225 H LEU 33 HN LEU 33 0.205 -4.211 1.976 226 HA LEU 33 HA LEU 33 -1.440 -6.290 0.732 227 1HB LEU 33 HB2 LEU 33 1.290 -5.216 0.211 228 2HB LEU 33 HB1 LEU 33 0.967 -6.885 -0.213 229 HG LEU 33 HG LEU 33 0.671 -5.515 -2.160 230 1HD1 LEU 33 HD11 LEU 33 -1.640 -6.051 -2.751 231 2HD1 LEU 33 HD12 LEU 33 -1.997 -6.375 -1.055 232 3HD1 LEU 33 HD13 LEU 33 -0.847 -7.392 -1.924 233 1HD2 LEU 33 HD21 LEU 33 0.259 -3.375 -1.098 234 2HD2 LEU 33 HD22 LEU 33 -1.316 -3.933 -0.540 235 3HD2 LEU 33 HD23 LEU 33 -1.011 -3.738 -2.266 236 H CYS 34 HN CYS 34 -1.173 -8.424 1.122 237 HA CYS 34 HA CYS 34 0.331 -9.122 3.542 238 1HB CYS 34 HB2 CYS 34 -2.212 -9.536 3.278 239 2HB CYS 34 HB1 CYS 34 -1.753 -10.824 2.173 240 HA PRO 35 HA PRO 35 3.514 -10.597 0.824 241 1HB PRO 35 HB2 PRO 35 4.017 -12.447 3.110 242 2HB PRO 35 HB1 PRO 35 5.146 -11.413 2.228 243 1HG PRO 35 HG2 PRO 35 4.272 -10.712 4.639 244 2HG PRO 35 HG1 PRO 35 4.490 -9.501 3.364 245 1HD PRO 35 HD2 PRO 35 1.985 -10.687 4.444 246 2HD PRO 35 HD1 PRO 35 2.283 -9.056 3.814 247 H ASP 36 HN ASP 36 1.660 -13.047 2.616 248 HA ASP 36 HA ASP 36 2.364 -15.193 0.856 249 1HB ASP 36 HB2 ASP 36 0.732 -16.492 2.150 250 2HB ASP 36 HB1 ASP 36 1.777 -15.560 3.224 251 H CYS 37 HN CYS 37 0.015 -12.709 0.727 252 HA CYS 37 HA CYS 37 -1.295 -13.983 -1.518 253 1HB CYS 37 HB2 CYS 37 -3.581 -13.416 -0.467 254 2HB CYS 37 HB1 CYS 37 -2.750 -14.861 0.090 255 H ARG 38 HN ARG 38 -0.460 -12.331 -2.772 256 HA ARG 38 HA ARG 38 -1.040 -9.579 -2.154 257 1HB ARG 38 HB2 ARG 38 0.117 -10.892 -4.618 258 2HB ARG 38 HB1 ARG 38 -0.134 -9.158 -4.465 259 1HG ARG 38 HG2 ARG 38 1.381 -9.096 -2.555 260 2HG ARG 38 HG1 ARG 38 1.621 -10.838 -2.686 261 1HD ARG 38 HD2 ARG 38 2.343 -8.782 -4.771 262 2HD ARG 38 HD1 ARG 38 3.470 -9.620 -3.707 263 HE ARG 38 HE ARG 38 1.981 -10.803 -5.943 264 1HH1 ARG 38 HH11 ARG 38 4.442 -11.049 -3.459 265 2HH1 ARG 38 HH12 ARG 38 5.131 -12.504 -4.120 266 1HH2 ARG 38 HH21 ARG 38 2.868 -12.714 -6.798 267 2HH2 ARG 38 HH22 ARG 38 4.222 -13.469 -6.000 268 H GLN 39 HN GLN 39 -3.235 -9.678 -1.902 269 HA GLN 39 HA GLN 39 -4.789 -9.388 -4.332 270 1HB GLN 39 HB2 GLN 39 -6.457 -11.027 -3.705 271 2HB GLN 39 HB1 GLN 39 -4.897 -11.838 -3.722 272 1HG GLN 39 HG2 GLN 39 -4.764 -11.634 -1.294 273 2HG GLN 39 HG1 GLN 39 -6.327 -10.823 -1.275 274 1HE2 GLN 39 HE21 GLN 39 -5.551 -13.264 0.054 275 2HE2 GLN 39 HE22 GLN 39 -6.603 -14.500 -0.533 276 HA PRO 40 HA PRO 40 -7.092 -6.654 -1.534 277 1HB PRO 40 HB2 PRO 40 -9.637 -8.012 -2.164 278 2HB PRO 40 HB1 PRO 40 -9.184 -6.319 -2.389 279 1HG PRO 40 HG2 PRO 40 -9.440 -8.004 -4.466 280 2HG PRO 40 HG1 PRO 40 -8.229 -6.709 -4.450 281 1HD PRO 40 HD2 PRO 40 -7.884 -9.641 -3.971 282 2HD PRO 40 HD1 PRO 40 -6.821 -8.501 -4.824 283 H LEU 41 HN LEU 41 -6.238 -7.530 0.361 284 HA LEU 41 HA LEU 41 -6.742 -9.824 1.716 285 1HB LEU 41 HB2 LEU 41 -6.377 -7.006 2.691 286 2HB LEU 41 HB1 LEU 41 -6.648 -8.303 3.834 287 HG LEU 41 HG LEU 41 -4.607 -9.438 2.958 288 1HD1 LEU 41 HD11 LEU 41 -4.510 -8.457 0.745 289 2HD1 LEU 41 HD12 LEU 41 -3.018 -8.148 1.636 290 3HD1 LEU 41 HD13 LEU 41 -4.215 -6.866 1.448 291 1HD2 LEU 41 HD21 LEU 41 -4.206 -6.637 3.999 292 2HD2 LEU 41 HD22 LEU 41 -3.027 -7.948 4.066 293 3HD2 LEU 41 HD23 LEU 41 -4.534 -8.070 4.975 294 H GLN 42 HN GLN 42 -8.591 -6.871 2.051 295 HA GLN 42 HA GLN 42 -11.145 -7.776 1.751 296 1HB GLN 42 HB2 GLN 42 -10.496 -9.046 3.956 297 2HB GLN 42 HB1 GLN 42 -10.671 -7.467 4.709 298 1HG GLN 42 HG2 GLN 42 -12.762 -8.281 5.030 299 2HG GLN 42 HG1 GLN 42 -12.987 -7.509 3.460 300 1HE2 GLN 42 HE21 GLN 42 -14.634 -8.833 2.806 301 2HE2 GLN 42 HE22 GLN 42 -14.410 -10.507 2.436 302 H VAL 43 HN VAL 43 -11.917 -5.829 1.106 303 HA VAL 43 HA VAL 43 -10.384 -3.514 1.875 304 HB VAL 43 HB VAL 43 -12.810 -3.587 0.071 305 1HG1 VAL 43 HG11 VAL 43 -12.227 -1.358 0.844 306 2HG1 VAL 43 HG12 VAL 43 -11.867 -1.534 -0.874 307 3HG1 VAL 43 HG13 VAL 43 -10.562 -1.593 0.312 308 1HG2 VAL 43 HG21 VAL 43 -9.898 -3.874 -0.658 309 2HG2 VAL 43 HG22 VAL 43 -11.239 -3.743 -1.796 310 3HG2 VAL 43 HG23 VAL 43 -11.118 -5.146 -0.734 311 H LEU 44 HN LEU 44 -10.798 -2.971 3.918 312 HA LEU 44 HA LEU 44 -13.556 -2.564 4.792 313 1HB LEU 44 HB2 LEU 44 -11.036 -2.237 6.413 314 2HB LEU 44 HB1 LEU 44 -12.671 -2.461 7.008 315 HG LEU 44 HG LEU 44 -11.006 -4.537 5.578 316 1HD1 LEU 44 HD11 LEU 44 -11.919 -4.397 8.442 317 2HD1 LEU 44 HD12 LEU 44 -10.277 -4.101 7.869 318 3HD1 LEU 44 HD13 LEU 44 -10.994 -5.705 7.699 319 1HD2 LEU 44 HD21 LEU 44 -12.830 -6.078 6.099 320 2HD2 LEU 44 HD22 LEU 44 -13.356 -4.782 5.026 321 3HD2 LEU 44 HD23 LEU 44 -13.780 -4.735 6.737 322 H LYS 45 HN LYS 45 -14.419 -0.611 4.605 323 HA LYS 45 HA LYS 45 -12.593 1.617 4.047 324 1HB LYS 45 HB2 LYS 45 -14.603 2.653 2.938 325 2HB LYS 45 HB1 LYS 45 -13.978 1.200 2.168 326 1HG LYS 45 HG2 LYS 45 -15.746 -0.100 3.338 327 2HG LYS 45 HG1 LYS 45 -16.413 1.426 3.921 328 1HD LYS 45 HD2 LYS 45 -17.623 0.721 1.961 329 2HD LYS 45 HD1 LYS 45 -16.684 2.164 1.579 330 1HE LYS 45 HE2 LYS 45 -16.542 0.525 -0.223 331 2HE LYS 45 HE1 LYS 45 -14.968 0.776 0.531 332 1HZ LYS 45 HZ1 LYS 45 -15.218 -1.270 1.738 333 2HZ LYS 45 HZ2 LYS 45 -15.478 -1.583 0.096 334 3HZ LYS 45 HZ3 LYS 45 -16.797 -1.482 1.161 335 H ALA 46 HN ALA 46 -12.607 3.419 5.202 336 HA ALA 46 HA ALA 46 -14.509 3.625 7.441 337 1HB ALA 46 HB1 ALA 46 -12.784 5.012 8.518 338 2HB ALA 46 HB2 ALA 46 -11.744 4.795 7.110 339 3HB ALA 46 HB3 ALA 46 -12.174 3.407 8.109 340 H CYS 47 HN CYS 47 -13.816 6.409 7.938 341 HA CYS 47 HA CYS 47 -15.596 7.657 6.080 342 1HB CYS 47 HB2 CYS 47 -13.836 8.942 8.177 343 2HB CYS 47 HB1 CYS 47 -15.210 9.689 7.370 344 HG CYS 47 HG CYS 47 -15.296 7.118 9.618 345 H GLY 48 HN GLY 48 -12.155 8.259 6.876 346 1HA GLY 48 HA2 GLY 48 -11.835 9.241 4.101 347 2HA GLY 48 HA1 GLY 48 -11.099 10.059 5.471 348 H ALA 49 HN ALA 49 -11.334 6.601 4.725 349 HA ALA 49 HA ALA 49 -8.611 6.302 3.989 350 1HB ALA 49 HB1 ALA 49 -7.761 5.173 5.968 351 2HB ALA 49 HB2 ALA 49 -9.289 5.448 6.805 352 3HB ALA 49 HB3 ALA 49 -8.264 6.815 6.372 353 H VAL 50 HN VAL 50 -8.357 4.404 2.977 354 HA VAL 50 HA VAL 50 -10.381 2.320 3.436 355 HB VAL 50 HB VAL 50 -9.691 1.407 1.200 356 1HG1 VAL 50 HG11 VAL 50 -11.714 2.735 1.441 357 2HG1 VAL 50 HG12 VAL 50 -10.935 3.078 -0.105 358 3HG1 VAL 50 HG13 VAL 50 -10.785 4.220 1.232 359 1HG2 VAL 50 HG21 VAL 50 -7.493 2.434 1.012 360 2HG2 VAL 50 HG22 VAL 50 -8.226 4.038 0.980 361 3HG2 VAL 50 HG23 VAL 50 -8.509 2.913 -0.349 362 H ASP 51 HN ASP 51 -9.753 0.402 4.205 363 HA ASP 51 HA ASP 51 -6.858 0.027 4.598 364 1HB ASP 51 HB2 ASP 51 -8.008 0.618 6.680 365 2HB ASP 51 HB1 ASP 51 -9.126 -0.720 6.454 366 H TYR 52 HN TYR 52 -6.011 -1.989 4.305 367 HA TYR 52 HA TYR 52 -7.842 -4.020 3.227 368 1HB TYR 52 HB2 TYR 52 -4.950 -3.440 2.587 369 2HB TYR 52 HB1 TYR 52 -5.728 -4.955 2.140 370 HD1 TYR 52 HD1 TYR 52 -5.969 -1.264 1.694 371 HD2 TYR 52 HD2 TYR 52 -6.998 -5.107 0.183 372 HE1 TYR 52 HE1 TYR 52 -6.847 -0.220 -0.353 373 HE2 TYR 52 HE2 TYR 52 -7.877 -4.074 -1.865 374 HH TYR 52 HH TYR 52 -8.725 -1.959 -2.640 375 H PHE 53 HN PHE 53 -8.328 -5.348 4.799 376 HA PHE 53 HA PHE 53 -6.161 -6.402 6.521 377 1HB PHE 53 HB2 PHE 53 -7.457 -4.571 7.649 378 2HB PHE 53 HB1 PHE 53 -8.907 -5.546 7.467 379 HD1 PHE 53 HD1 PHE 53 -5.521 -5.586 8.979 380 HD2 PHE 53 HD2 PHE 53 -9.512 -7.054 9.109 381 HE1 PHE 53 HE1 PHE 53 -5.058 -6.642 11.150 382 HE2 PHE 53 HE2 PHE 53 -9.055 -8.119 11.280 383 HZ PHE 53 HZ PHE 53 -6.825 -7.907 12.303 384 H CYS 54 HN CYS 54 -6.151 -8.578 6.488 385 HA CYS 54 HA CYS 54 -8.024 -9.961 4.881 386 1HB CYS 54 HB2 CYS 54 -5.808 -10.878 6.699 387 2HB CYS 54 HB1 CYS 54 -6.864 -12.031 5.908 388 H GLN 55 HN GLN 55 -10.042 -10.372 5.461 389 HA GLN 55 HA GLN 55 -10.506 -11.453 8.158 390 1HB GLN 55 HB2 GLN 55 -12.433 -10.174 6.211 391 2HB GLN 55 HB1 GLN 55 -12.946 -11.026 7.659 392 1HG GLN 55 HG2 GLN 55 -11.577 -9.414 8.992 393 2HG GLN 55 HG1 GLN 55 -11.311 -8.508 7.503 394 1HE2 GLN 55 HE21 GLN 55 -14.299 -10.165 8.174 395 2HE2 GLN 55 HE22 GLN 55 -15.260 -8.748 8.419 396 H ASN 56 HN ASN 56 -11.667 -11.828 4.811 397 HA ASN 56 HA ASN 56 -12.197 -14.663 5.371 398 1HB ASN 56 HB2 ASN 56 -14.045 -13.241 4.485 399 2HB ASN 56 HB1 ASN 56 -13.096 -12.966 3.030 400 1HD2 ASN 56 HD21 ASN 56 -13.301 -16.010 4.781 401 2HD2 ASN 56 HD22 ASN 56 -14.123 -16.877 3.525 402 H GLY 57 HN GLY 57 -10.214 -12.525 3.481 403 1HA GLY 57 HA2 GLY 57 -9.504 -14.431 1.469 404 2HA GLY 57 HA1 GLY 57 -8.739 -12.876 1.746 405 H HIS 58 HN HIS 58 -8.519 -14.134 4.681 406 HA HIS 58 HA HIS 58 -6.557 -16.139 4.521 407 1HB HIS 58 HB2 HIS 58 -5.136 -14.510 3.452 408 2HB HIS 58 HB1 HIS 58 -5.514 -13.297 4.660 409 HD2 HIS 58 HD2 HIS 58 -4.654 -16.356 6.637 410 HE1 HIS 58 HE1 HIS 58 -0.966 -14.365 6.026 411 HE2 HIS 58 HE2 HIS 58 -2.218 -16.031 7.431 412 H GLY 59 HN GLY 59 -6.481 -13.162 6.441 413 1HA GLY 59 HA2 GLY 59 -7.820 -13.751 8.699 414 2HA GLY 59 HA1 GLY 59 -6.359 -14.723 8.866 415 H LEU 60 HN LEU 60 -7.029 -12.622 10.618 416 HA LEU 60 HA LEU 60 -6.068 -10.097 9.912 417 1HB LEU 60 HB2 LEU 60 -6.141 -9.537 12.205 418 2HB LEU 60 HB1 LEU 60 -7.448 -10.669 11.929 419 HG LEU 60 HG LEU 60 -4.797 -11.486 13.115 420 1HD1 LEU 60 HD11 LEU 60 -7.339 -10.683 14.518 421 2HD1 LEU 60 HD12 LEU 60 -5.803 -9.816 14.552 422 3HD1 LEU 60 HD13 LEU 60 -5.931 -11.415 15.287 423 1HD2 LEU 60 HD21 LEU 60 -7.510 -12.808 13.111 424 2HD2 LEU 60 HD22 LEU 60 -6.064 -13.419 13.915 425 3HD2 LEU 60 HD23 LEU 60 -6.115 -13.303 12.155 426 H ILE 61 HN ILE 61 -4.153 -9.094 9.979 427 HA ILE 61 HA ILE 61 -1.778 -10.673 10.724 428 HB ILE 61 HB ILE 61 -1.908 -8.539 8.577 429 1HG1 ILE 61 HG12 ILE 61 -3.178 -10.549 7.908 430 2HG1 ILE 61 HG11 ILE 61 -1.731 -10.326 6.930 431 1HG2 ILE 61 HG21 ILE 61 0.322 -9.372 7.955 432 2HG2 ILE 61 HG22 ILE 61 0.280 -10.475 9.332 433 3HG2 ILE 61 HG23 ILE 61 0.282 -8.732 9.598 434 1HD1 ILE 61 HD11 ILE 61 -0.585 -12.035 8.243 435 2HD1 ILE 61 HD12 ILE 61 -2.059 -12.660 7.504 436 3HD1 ILE 61 HD13 ILE 61 -2.036 -12.255 9.221 437 H SER 62 HN SER 62 -0.337 -9.679 12.096 438 HA SER 62 HA SER 62 -0.910 -7.405 13.567 439 1HB SER 62 HB2 SER 62 0.892 -9.090 14.077 440 2HB SER 62 HB1 SER 62 1.879 -8.339 12.824 441 HG SER 62 HG SER 62 1.980 -7.664 15.235 442 H LYS 63 HN LYS 63 -1.109 -5.342 12.975 443 HA LYS 63 HA LYS 63 -0.879 -4.698 10.249 444 1HB LYS 63 HB2 LYS 63 -2.578 -3.792 11.860 445 2HB LYS 63 HB1 LYS 63 -1.321 -2.738 12.495 446 1HG LYS 63 HG2 LYS 63 -1.216 -1.477 10.561 447 2HG LYS 63 HG1 LYS 63 -1.936 -2.751 9.573 448 1HD LYS 63 HD2 LYS 63 -4.054 -2.400 10.917 449 2HD LYS 63 HD1 LYS 63 -3.294 -0.939 11.557 450 1HE LYS 63 HE2 LYS 63 -3.164 0.042 9.402 451 2HE LYS 63 HE1 LYS 63 -3.572 -1.478 8.611 452 1HZ LYS 63 HZ1 LYS 63 -5.513 -0.247 8.542 453 2HZ LYS 63 HZ2 LYS 63 -5.344 0.334 10.130 454 3HZ LYS 63 HZ3 LYS 63 -5.760 -1.290 9.855 455 H LYS 64 HN LYS 64 1.360 -4.261 12.851 456 HA LYS 64 HA LYS 64 2.868 -2.181 11.578 457 1HB LYS 64 HB2 LYS 64 3.743 -4.109 13.736 458 2HB LYS 64 HB1 LYS 64 4.580 -2.638 13.264 459 1HG LYS 64 HG2 LYS 64 2.564 -1.352 13.982 460 2HG LYS 64 HG1 LYS 64 1.899 -2.863 14.609 461 1HD LYS 64 HD2 LYS 64 3.993 -3.099 15.976 462 2HD LYS 64 HD1 LYS 64 4.419 -1.461 15.481 463 1HE LYS 64 HE2 LYS 64 3.384 -1.367 17.642 464 2HE LYS 64 HE1 LYS 64 2.281 -0.670 16.457 465 1HZ LYS 64 HZ1 LYS 64 0.871 -2.484 16.576 466 2HZ LYS 64 HZ2 LYS 64 1.370 -2.316 18.186 467 3HZ LYS 64 HZ3 LYS 64 2.061 -3.515 17.205 468 H ARG 65 HN ARG 65 2.550 -5.518 11.113 469 HA ARG 65 HA ARG 65 5.199 -5.740 9.855 470 1HB ARG 65 HB2 ARG 65 4.598 -7.329 11.707 471 2HB ARG 65 HB1 ARG 65 3.320 -7.960 10.682 472 1HG ARG 65 HG2 ARG 65 4.914 -8.774 9.089 473 2HG ARG 65 HG1 ARG 65 6.240 -7.991 9.952 474 1HD ARG 65 HD2 ARG 65 5.809 -9.420 11.894 475 2HD ARG 65 HD1 ARG 65 4.491 -10.203 11.023 476 HE ARG 65 HE ARG 65 6.100 -11.179 9.545 477 1HH1 ARG 65 HH11 ARG 65 7.448 -9.539 12.321 478 2HH1 ARG 65 HH12 ARG 65 8.976 -10.359 12.241 479 1HH2 ARG 65 HH21 ARG 65 8.115 -12.260 9.411 480 2HH2 ARG 65 HH22 ARG 65 9.359 -11.910 10.579 481 H VAL 66 HN VAL 66 2.117 -5.044 9.068 482 HA VAL 66 HA VAL 66 1.813 -6.668 6.707 483 HB VAL 66 HB VAL 66 0.302 -4.166 7.512 484 1HG1 VAL 66 HG11 VAL 66 -0.327 -6.276 5.450 485 2HG1 VAL 66 HG12 VAL 66 0.100 -4.592 5.138 486 3HG1 VAL 66 HG13 VAL 66 -1.417 -4.984 5.948 487 1HG2 VAL 66 HG21 VAL 66 -1.450 -5.696 8.267 488 2HG2 VAL 66 HG22 VAL 66 0.051 -5.934 9.163 489 3HG2 VAL 66 HG23 VAL 66 -0.408 -7.068 7.893 490 H ASN 67 HN ASN 67 2.211 -6.060 4.589 491 HA ASN 67 HA ASN 67 4.252 -4.053 4.303 492 1HB ASN 67 HB2 ASN 67 3.041 -6.071 2.439 493 2HB ASN 67 HB1 ASN 67 4.059 -4.776 1.812 494 1HD2 ASN 67 HD21 ASN 67 6.234 -4.730 2.342 495 2HD2 ASN 67 HD22 ASN 67 7.056 -6.113 2.976 496 H PHE 68 HN PHE 68 3.044 -2.149 4.805 497 HA PHE 68 HA PHE 68 1.108 -1.206 2.908 498 1HB PHE 68 HB2 PHE 68 2.674 0.098 5.122 499 2HB PHE 68 HB1 PHE 68 1.736 1.066 3.990 500 HD1 PHE 68 HD1 PHE 68 1.527 -1.556 6.578 501 HD2 PHE 68 HD2 PHE 68 -0.603 1.216 4.150 502 HE1 PHE 68 HE1 PHE 68 -0.496 -1.941 7.921 503 HE2 PHE 68 HE2 PHE 68 -2.632 0.834 5.487 504 HZ PHE 68 HZ PHE 68 -2.579 -0.746 7.375 505 H VAL 69 HN VAL 69 1.856 -1.242 0.883 506 HA VAL 69 HA VAL 69 4.386 0.170 0.366 507 HB VAL 69 HB VAL 69 4.659 -1.259 -1.643 508 1HG1 VAL 69 HG11 VAL 69 5.339 -3.295 -0.447 509 2HG1 VAL 69 HG12 VAL 69 4.439 -2.750 0.968 510 3HG1 VAL 69 HG13 VAL 69 5.835 -1.831 0.404 511 1HG2 VAL 69 HG21 VAL 69 3.332 -3.308 -1.861 512 2HG2 VAL 69 HG22 VAL 69 2.320 -1.869 -1.998 513 3HG2 VAL 69 HG23 VAL 69 2.329 -2.802 -0.501 514 H ILE 70 HN ILE 70 4.547 1.263 -1.669 515 HA ILE 70 HA ILE 70 2.093 2.560 -2.426 516 HB ILE 70 HB ILE 70 3.577 3.844 -4.007 517 1HG1 ILE 70 HG12 ILE 70 5.787 2.349 -2.566 518 2HG1 ILE 70 HG11 ILE 70 5.338 2.108 -4.251 519 1HG2 ILE 70 HG21 ILE 70 2.997 4.697 -1.812 520 2HG2 ILE 70 HG22 ILE 70 4.664 5.121 -2.206 521 3HG2 ILE 70 HG23 ILE 70 4.331 3.799 -1.088 522 1HD1 ILE 70 HD11 ILE 70 5.981 4.396 -4.760 523 2HD1 ILE 70 HD12 ILE 70 7.320 3.506 -4.033 524 3HD1 ILE 70 HD13 ILE 70 6.401 4.662 -3.068 525 H SER 71 HN SER 71 1.172 0.510 -3.090 526 HA SER 71 HA SER 71 0.519 -1.102 -4.509 527 1HB SER 71 HB2 SER 71 0.420 -0.480 -6.948 528 2HB SER 71 HB1 SER 71 -0.329 0.676 -5.856 529 HG SER 71 HG SER 71 2.273 1.283 -6.256 530 H ASP 72 HN ASP 72 1.419 -1.978 -7.004 531 HA ASP 72 HA ASP 72 4.220 -2.686 -6.612 532 1HB ASP 72 HB2 ASP 72 2.812 -4.406 -5.424 533 2HB ASP 72 HB1 ASP 72 2.059 -4.787 -6.970 534 H GLN 73 HN GLN 73 4.758 -4.278 -8.607 535 HA GLN 73 HA GLN 73 4.534 -2.693 -10.904 536 1HB GLN 73 HB2 GLN 73 5.116 -5.659 -10.839 537 2HB GLN 73 HB1 GLN 73 5.593 -4.512 -12.085 538 1HG GLN 73 HG2 GLN 73 6.995 -3.347 -10.420 539 2HG GLN 73 HG1 GLN 73 6.586 -4.600 -9.247 540 1HE2 GLN 73 HE21 GLN 73 8.365 -3.808 -12.103 541 2HE2 GLN 73 HE22 GLN 73 9.342 -5.241 -12.140 542 H LEU 74 HN LEU 74 3.251 -6.000 -10.624 543 HA LEU 74 HA LEU 74 1.369 -7.000 -11.437 544 1HB LEU 74 HB2 LEU 74 0.611 -5.362 -9.593 545 2HB LEU 74 HB1 LEU 74 0.016 -4.365 -10.904 546 HG LEU 74 HG LEU 74 -1.437 -6.267 -11.619 547 1HD1 LEU 74 HD11 LEU 74 -0.154 -8.090 -10.632 548 2HD1 LEU 74 HD12 LEU 74 -1.817 -8.092 -10.041 549 3HD1 LEU 74 HD13 LEU 74 -0.518 -7.480 -9.017 550 1HD2 LEU 74 HD21 LEU 74 -1.810 -5.290 -8.790 551 2HD2 LEU 74 HD22 LEU 74 -3.066 -5.980 -9.819 552 3HD2 LEU 74 HD23 LEU 74 -2.312 -4.447 -10.256 553 H GLU 75 HN GLU 75 -0.897 -5.626 -12.704 554 HA GLU 75 HA GLU 75 0.258 -5.032 -15.316 555 1HB GLU 75 HB2 GLU 75 -2.579 -5.512 -14.393 556 2HB GLU 75 HB1 GLU 75 -2.207 -4.904 -15.997 557 1HG GLU 75 HG2 GLU 75 -2.577 -7.262 -16.115 558 2HG GLU 75 HG1 GLU 75 -0.873 -6.936 -16.421 559 H HIS 76 HN HIS 76 0.126 -3.038 -16.270 560 HA HIS 76 HA HIS 76 -0.375 -0.830 -14.449 561 1HB HIS 76 HB2 HIS 76 0.818 -0.990 -17.215 562 2HB HIS 76 HB1 HIS 76 0.515 0.542 -16.401 563 HD1 HIS 76 HD1 HIS 76 2.571 -2.619 -15.998 564 HD2 HIS 76 HD2 HIS 76 2.444 1.299 -14.604 565 HE1 HIS 76 HE1 HIS 76 4.685 -2.300 -14.673 566 HE2 HIS 76 HE2 HIS 76 4.635 0.105 -13.913 567 H HIS 77 HN HIS 77 -2.475 -2.561 -15.839 568 HA HIS 77 HA HIS 77 -4.045 -0.517 -17.203 569 1HB HIS 77 HB2 HIS 77 -4.040 -2.778 -18.158 570 2HB HIS 77 HB1 HIS 77 -4.622 -3.440 -16.637 571 HD1 HIS 77 HD1 HIS 77 -7.120 -3.485 -16.280 572 HD2 HIS 77 HD2 HIS 77 -5.990 -1.193 -19.569 573 HE1 HIS 77 HE1 HIS 77 -9.256 -2.912 -17.480 574 HE2 HIS 77 HE2 HIS 77 -8.558 -1.476 -19.430 575 H HIS 78 HN HIS 78 -5.110 0.860 -15.923 576 HA HIS 78 HA HIS 78 -5.765 0.326 -13.218 577 1HB HIS 78 HB2 HIS 78 -6.644 2.472 -15.142 578 2HB HIS 78 HB1 HIS 78 -7.278 2.383 -13.502 579 HD1 HIS 78 HD1 HIS 78 -4.228 3.276 -15.448 580 HD2 HIS 78 HD2 HIS 78 -5.450 3.075 -11.476 581 HE1 HIS 78 HE1 HIS 78 -2.484 4.528 -14.138 582 HE2 HIS 78 HE2 HIS 78 -3.314 4.514 -11.754 583 H HIS 79 HN HIS 79 -7.470 -0.624 -12.324 584 HA HIS 79 HA HIS 79 -9.423 -1.852 -14.077 585 1HB HIS 79 HB2 HIS 79 -8.373 -3.077 -12.149 586 2HB HIS 79 HB1 HIS 79 -9.243 -2.003 -11.058 587 HD1 HIS 79 HD1 HIS 79 -11.547 -2.711 -10.399 588 HD2 HIS 79 HD2 HIS 79 -10.171 -4.720 -13.776 589 HE1 HIS 79 HE1 HIS 79 -13.278 -4.469 -10.901 590 HE2 HIS 79 HE2 HIS 79 -12.325 -5.786 -12.827 591 H HIS 80 HN HIS 80 -10.296 0.202 -14.766 592 HA HIS 80 HA HIS 80 -12.543 1.011 -13.106 593 1HB HIS 80 HB2 HIS 80 -10.830 2.592 -12.404 594 2HB HIS 80 HB1 HIS 80 -10.436 2.962 -14.078 595 HD1 HIS 80 HD1 HIS 80 -12.903 3.709 -11.385 596 HD2 HIS 80 HD2 HIS 80 -12.244 4.686 -15.375 597 HE1 HIS 80 HE1 HIS 80 -14.455 5.630 -11.882 598 HE2 HIS 80 HE2 HIS 80 -14.214 6.022 -14.363 599 H HIS 81 HN HIS 81 -14.299 1.361 -14.326 600 HA HIS 81 HA HIS 81 -13.987 2.188 -17.099 601 1HB HIS 81 HB2 HIS 81 -15.544 0.467 -17.925 602 2HB HIS 81 HB1 HIS 81 -14.080 -0.246 -17.268 603 HD1 HIS 81 HD1 HIS 81 -17.671 -0.525 -17.159 604 HD2 HIS 81 HD2 HIS 81 -14.539 -1.329 -14.538 605 HE1 HIS 81 HE1 HIS 81 -18.618 -2.080 -15.420 606 HE2 HIS 81 HE2 HIS 81 -16.734 -2.487 -13.794 Start of MODEL 18 1 1H MET 1 HT1 MET 1 12.253 7.564 11.315 2 2H MET 1 HT2 MET 1 13.535 7.519 10.212 3 3H MET 1 HT3 MET 1 13.449 6.371 11.457 4 HA MET 1 HA MET 1 12.779 5.347 9.430 5 1HB MET 1 HB2 MET 1 11.562 4.646 11.426 6 2HB MET 1 HB1 MET 1 10.426 5.973 11.234 7 1HG MET 1 HG2 MET 1 9.655 4.989 9.124 8 2HG MET 1 HG1 MET 1 10.777 3.651 9.347 9 1HE MET 1 HE1 MET 1 10.524 1.776 11.156 10 2HE MET 1 HE2 MET 1 9.322 1.805 12.446 11 3HE MET 1 HE3 MET 1 10.614 3.007 12.416 12 H GLU 2 HN GLU 2 12.829 6.342 7.496 13 HA GLU 2 HA GLU 2 10.756 8.355 6.934 14 1HB GLU 2 HB2 GLU 2 13.381 7.963 5.483 15 2HB GLU 2 HB1 GLU 2 12.222 9.253 5.218 16 1HG GLU 2 HG2 GLU 2 13.964 10.214 6.430 17 2HG GLU 2 HG1 GLU 2 12.674 9.963 7.605 18 H ILE 3 HN ILE 3 9.264 7.876 5.438 19 HA ILE 3 HA ILE 3 9.601 5.558 3.733 20 HB ILE 3 HB ILE 3 7.411 6.342 2.710 21 1HG1 ILE 3 HG12 ILE 3 7.466 8.252 5.061 22 2HG1 ILE 3 HG11 ILE 3 7.581 8.716 3.367 23 1HG2 ILE 3 HG21 ILE 3 7.540 4.580 4.391 24 2HG2 ILE 3 HG22 ILE 3 6.078 5.544 4.592 25 3HG2 ILE 3 HG23 ILE 3 7.449 5.787 5.674 26 1HD1 ILE 3 HD11 ILE 3 5.331 7.854 2.978 27 2HD1 ILE 3 HD12 ILE 3 5.347 9.090 4.238 28 3HD1 ILE 3 HD13 ILE 3 5.219 7.386 4.675 29 H THR 4 HN THR 4 10.745 5.666 1.905 30 HA THR 4 HA THR 4 11.310 8.358 0.840 31 HB THR 4 HB THR 4 13.188 6.030 0.541 32 HG1 THR 4 HG1 THR 4 12.418 6.747 2.869 33 1HG2 THR 4 HG21 THR 4 13.662 8.998 0.832 34 2HG2 THR 4 HG22 THR 4 13.612 8.128 -0.701 35 3HG2 THR 4 HG23 THR 4 14.880 7.773 0.473 36 H CYS 5 HN CYS 5 10.891 8.718 -1.299 37 HA CYS 5 HA CYS 5 9.739 6.661 -2.899 38 1HB CYS 5 HB2 CYS 5 9.865 8.354 -4.752 39 2HB CYS 5 HB1 CYS 5 9.012 8.901 -3.322 40 HA PRO 6 HA PRO 6 13.368 4.651 -4.165 41 1HB PRO 6 HB2 PRO 6 12.471 3.463 -6.460 42 2HB PRO 6 HB1 PRO 6 12.076 2.899 -4.834 43 1HG PRO 6 HG2 PRO 6 10.451 4.558 -6.712 44 2HG PRO 6 HG1 PRO 6 9.933 3.248 -5.636 45 1HD PRO 6 HD2 PRO 6 9.566 5.865 -5.039 46 2HD PRO 6 HD1 PRO 6 9.834 4.626 -3.797 47 H VAL 7 HN VAL 7 11.915 5.548 -7.285 48 HA VAL 7 HA VAL 7 14.465 5.921 -8.461 49 HB VAL 7 HB VAL 7 13.262 6.622 -10.471 50 1HG1 VAL 7 HG11 VAL 7 11.937 4.589 -10.812 51 2HG1 VAL 7 HG12 VAL 7 11.966 4.283 -9.074 52 3HG1 VAL 7 HG13 VAL 7 13.465 4.246 -10.003 53 1HG2 VAL 7 HG21 VAL 7 10.774 6.518 -8.758 54 2HG2 VAL 7 HG22 VAL 7 10.821 6.775 -10.502 55 3HG2 VAL 7 HG23 VAL 7 11.513 7.979 -9.414 56 H CYS 8 HN CYS 8 12.256 8.063 -6.900 57 HA CYS 8 HA CYS 8 13.665 10.403 -7.963 58 1HB CYS 8 HB2 CYS 8 11.488 11.362 -6.613 59 2HB CYS 8 HB1 CYS 8 11.536 11.000 -8.339 60 H HIS 9 HN HIS 9 13.862 8.422 -5.482 61 HA HIS 9 HA HIS 9 14.606 8.507 -3.312 62 1HB HIS 9 HB2 HIS 9 16.468 8.603 -5.135 63 2HB HIS 9 HB1 HIS 9 16.791 10.191 -4.449 64 HD1 HIS 9 HD1 HIS 9 18.809 9.937 -3.024 65 HD2 HIS 9 HD2 HIS 9 16.165 6.752 -2.575 66 HE1 HIS 9 HE1 HIS 9 19.805 8.471 -1.238 67 HE2 HIS 9 HE2 HIS 9 18.305 6.442 -1.149 68 H HIS 10 HN HIS 10 13.079 9.782 -2.173 69 HA HIS 10 HA HIS 10 14.409 11.401 -0.369 70 1HB HIS 10 HB2 HIS 10 13.783 12.979 -2.569 71 2HB HIS 10 HB1 HIS 10 12.467 13.304 -1.442 72 HD1 HIS 10 HD1 HIS 10 13.010 15.431 -0.239 73 HD2 HIS 10 HD2 HIS 10 16.373 13.023 -0.771 74 HE1 HIS 10 HE1 HIS 10 14.894 16.619 0.918 75 HE2 HIS 10 HE2 HIS 10 16.890 15.107 0.680 76 H ALA 11 HN ALA 11 12.653 12.636 1.064 77 HA ALA 11 HA ALA 11 11.050 10.599 2.096 78 1HB ALA 11 HB1 ALA 11 10.176 12.269 3.618 79 2HB ALA 11 HB2 ALA 11 10.813 13.558 2.595 80 3HB ALA 11 HB3 ALA 11 11.918 12.459 3.421 81 H LEU 12 HN LEU 12 9.019 9.995 1.873 82 HA LEU 12 HA LEU 12 7.262 11.363 -0.014 83 1HB LEU 12 HB2 LEU 12 7.046 8.743 1.477 84 2HB LEU 12 HB1 LEU 12 5.753 9.390 0.487 85 HG LEU 12 HG LEU 12 8.499 8.689 -0.554 86 1HD1 LEU 12 HD11 LEU 12 7.370 6.756 -1.586 87 2HD1 LEU 12 HD12 LEU 12 5.905 7.154 -0.685 88 3HD1 LEU 12 HD13 LEU 12 7.368 6.675 0.178 89 1HD2 LEU 12 HD21 LEU 12 7.506 10.332 -1.934 90 2HD2 LEU 12 HD22 LEU 12 5.932 9.546 -1.858 91 3HD2 LEU 12 HD23 LEU 12 7.254 8.788 -2.740 92 H GLU 13 HN GLU 13 5.110 11.976 0.614 93 HA GLU 13 HA GLU 13 4.719 12.229 3.521 94 1HB GLU 13 HB2 GLU 13 5.115 14.439 2.591 95 2HB GLU 13 HB1 GLU 13 3.880 14.175 1.365 96 1HG GLU 13 HG2 GLU 13 2.175 14.043 3.105 97 2HG GLU 13 HG1 GLU 13 3.408 14.303 4.335 98 H ARG 14 HN ARG 14 2.905 11.374 4.311 99 HA ARG 14 HA ARG 14 1.001 10.187 2.476 100 1HB ARG 14 HB2 ARG 14 1.650 8.945 4.497 101 2HB ARG 14 HB1 ARG 14 1.030 10.246 5.503 102 1HG ARG 14 HG2 ARG 14 -1.226 9.830 4.651 103 2HG ARG 14 HG1 ARG 14 -0.601 8.521 3.645 104 1HD ARG 14 HD2 ARG 14 0.089 7.295 5.616 105 2HD ARG 14 HD1 ARG 14 -0.421 8.626 6.655 106 HE ARG 14 HE ARG 14 -2.627 7.837 5.131 107 1HH1 ARG 14 HH11 ARG 14 -0.553 6.494 7.620 108 2HH1 ARG 14 HH12 ARG 14 -1.813 5.525 8.317 109 1HH2 ARG 14 HH21 ARG 14 -4.279 6.541 6.022 110 2HH2 ARG 14 HH22 ARG 14 -3.926 5.546 7.417 111 H ASN 15 HN ASN 15 0.155 11.987 1.495 112 HA ASN 15 HA ASN 15 -1.194 14.029 3.047 113 1HB ASN 15 HB2 ASN 15 -0.015 14.560 0.904 114 2HB ASN 15 HB1 ASN 15 -1.180 13.554 0.052 115 1HD2 ASN 15 HD21 ASN 15 -0.649 16.547 1.714 116 2HD2 ASN 15 HD22 ASN 15 -2.129 17.315 1.236 117 H GLY 16 HN GLY 16 -3.087 13.495 3.959 118 1HA GLY 16 HA2 GLY 16 -5.094 12.434 4.329 119 2HA GLY 16 HA1 GLY 16 -5.230 12.250 2.582 120 H ASP 17 HN ASP 17 -4.881 10.304 1.688 121 HA ASP 17 HA ASP 17 -3.427 8.289 3.263 122 1HB ASP 17 HB2 ASP 17 -6.055 7.890 1.824 123 2HB ASP 17 HB1 ASP 17 -5.021 6.555 2.324 124 H THR 18 HN THR 18 -2.955 10.153 0.941 125 HA THR 18 HA THR 18 -2.131 8.170 -1.077 126 HB THR 18 HB THR 18 -2.285 11.172 -1.417 127 HG1 THR 18 HG1 THR 18 -4.276 9.279 -1.328 128 1HG2 THR 18 HG21 THR 18 -0.914 9.989 -3.073 129 2HG2 THR 18 HG22 THR 18 -2.386 10.628 -3.808 130 3HG2 THR 18 HG23 THR 18 -2.264 8.911 -3.424 131 H ALA 19 HN ALA 19 0.053 8.398 -1.970 132 HA ALA 19 HA ALA 19 1.896 9.560 0.018 133 1HB ALA 19 HB1 ALA 19 2.000 7.111 -0.187 134 2HB ALA 19 HB2 ALA 19 3.515 7.885 -0.650 135 3HB ALA 19 HB3 ALA 19 2.414 7.286 -1.891 136 H HIS 20 HN HIS 20 2.414 11.517 -0.731 137 HA HIS 20 HA HIS 20 3.036 11.851 -3.580 138 1HB HIS 20 HB2 HIS 20 1.411 13.428 -2.671 139 2HB HIS 20 HB1 HIS 20 2.527 13.887 -1.392 140 HD1 HIS 20 HD1 HIS 20 1.948 14.308 -5.105 141 HD2 HIS 20 HD2 HIS 20 4.403 15.809 -2.083 142 HE1 HIS 20 HE1 HIS 20 3.127 16.296 -6.098 143 HE2 HIS 20 HE2 HIS 20 4.703 17.103 -4.301 144 H CYS 21 HN CYS 21 5.043 12.346 -4.287 145 HA CYS 21 HA CYS 21 7.248 12.051 -2.466 146 1HB CYS 21 HB2 CYS 21 7.239 12.814 -5.387 147 2HB CYS 21 HB1 CYS 21 8.643 12.307 -4.455 148 H GLU 22 HN GLU 22 8.422 13.607 -1.541 149 HA GLU 22 HA GLU 22 7.452 16.260 -1.564 150 1HB GLU 22 HB2 GLU 22 8.447 15.291 0.412 151 2HB GLU 22 HB1 GLU 22 9.974 15.056 -0.422 152 1HG GLU 22 HG2 GLU 22 8.872 17.807 -0.177 153 2HG GLU 22 HG1 GLU 22 9.620 17.048 1.230 154 H THR 23 HN THR 23 10.113 14.687 -3.246 155 HA THR 23 HA THR 23 11.019 17.273 -4.288 156 HB THR 23 HB THR 23 12.893 15.971 -5.301 157 HG1 THR 23 HG1 THR 23 11.364 13.862 -4.379 158 1HG2 THR 23 HG21 THR 23 12.526 15.682 -2.327 159 2HG2 THR 23 HG22 THR 23 13.178 17.088 -3.170 160 3HG2 THR 23 HG23 THR 23 14.060 15.560 -3.185 161 H CYS 24 HN CYS 24 8.541 15.576 -5.177 162 HA CYS 24 HA CYS 24 9.104 15.672 -8.036 163 1HB CYS 24 HB2 CYS 24 7.883 13.126 -7.160 164 2HB CYS 24 HB1 CYS 24 9.077 13.425 -8.421 165 H ALA 25 HN ALA 25 7.272 15.913 -9.294 166 HA ALA 25 HA ALA 25 4.797 16.541 -7.957 167 1HB ALA 25 HB1 ALA 25 5.532 17.834 -9.903 168 2HB ALA 25 HB2 ALA 25 3.972 17.066 -10.201 169 3HB ALA 25 HB3 ALA 25 5.439 16.385 -10.905 170 H LYS 26 HN LYS 26 5.322 14.038 -7.268 171 HA LYS 26 HA LYS 26 3.560 12.355 -8.920 172 1HB LYS 26 HB2 LYS 26 6.122 11.478 -7.566 173 2HB LYS 26 HB1 LYS 26 5.039 10.446 -8.487 174 1HG LYS 26 HG2 LYS 26 5.600 11.532 -10.521 175 2HG LYS 26 HG1 LYS 26 6.459 12.817 -9.671 176 1HD LYS 26 HD2 LYS 26 8.052 11.268 -10.631 177 2HD LYS 26 HD1 LYS 26 8.098 11.152 -8.872 178 1HE LYS 26 HE2 LYS 26 8.192 8.943 -9.870 179 2HE LYS 26 HE1 LYS 26 6.684 9.148 -8.980 180 1HZ LYS 26 HZ1 LYS 26 6.910 9.552 -11.912 181 2HZ LYS 26 HZ2 LYS 26 5.490 9.437 -10.994 182 3HZ LYS 26 HZ3 LYS 26 6.472 8.077 -11.210 183 H ASP 27 HN ASP 27 2.095 11.172 -7.790 184 HA ASP 27 HA ASP 27 2.660 10.487 -5.036 185 1HB ASP 27 HB2 ASP 27 0.107 11.037 -4.574 186 2HB ASP 27 HB1 ASP 27 1.371 12.233 -4.330 187 H PHE 28 HN PHE 28 1.835 8.578 -4.410 188 HA PHE 28 HA PHE 28 0.671 6.993 -6.607 189 1HB PHE 28 HB2 PHE 28 2.226 5.808 -4.330 190 2HB PHE 28 HB1 PHE 28 1.967 5.164 -5.945 191 HD1 PHE 28 HD1 PHE 28 3.194 6.231 -7.883 192 HD2 PHE 28 HD2 PHE 28 4.102 7.075 -3.812 193 HE1 PHE 28 HE1 PHE 28 5.403 7.086 -8.554 194 HE2 PHE 28 HE2 PHE 28 6.305 7.935 -4.474 195 HZ PHE 28 HZ PHE 28 6.962 7.941 -6.845 196 H SER 29 HN SER 29 -0.754 5.275 -6.044 197 HA SER 29 HA SER 29 -2.382 5.739 -3.705 198 1HB SER 29 HB2 SER 29 -3.677 3.782 -4.622 199 2HB SER 29 HB1 SER 29 -3.508 5.119 -5.760 200 HG SER 29 HG SER 29 -1.660 2.985 -5.729 201 H LEU 30 HN LEU 30 -2.241 4.615 -1.814 202 HA LEU 30 HA LEU 30 -0.109 2.607 -1.659 203 1HB LEU 30 HB2 LEU 30 -1.469 4.274 0.454 204 2HB LEU 30 HB1 LEU 30 -0.376 2.959 0.835 205 HG LEU 30 HG LEU 30 0.345 5.462 -0.691 206 1HD1 LEU 30 HD11 LEU 30 0.998 4.537 2.104 207 2HD1 LEU 30 HD12 LEU 30 -0.013 5.911 1.656 208 3HD1 LEU 30 HD13 LEU 30 1.716 5.936 1.308 209 1HD2 LEU 30 HD21 LEU 30 1.623 3.536 -1.467 210 2HD2 LEU 30 HD22 LEU 30 2.051 3.136 0.197 211 3HD2 LEU 30 HD23 LEU 30 2.646 4.627 -0.532 212 H GLN 31 HN GLN 31 -0.427 0.593 -0.983 213 HA GLN 31 HA GLN 31 -3.096 -0.157 -0.015 214 1HB GLN 31 HB2 GLN 31 -1.438 -1.652 -2.055 215 2HB GLN 31 HB1 GLN 31 -2.865 -2.308 -1.267 216 1HG GLN 31 HG2 GLN 31 -4.192 -0.457 -2.230 217 2HG GLN 31 HG1 GLN 31 -2.753 0.076 -3.097 218 1HE2 GLN 31 HE21 GLN 31 -5.331 -0.838 -4.104 219 2HE2 GLN 31 HE22 GLN 31 -4.986 -2.171 -5.149 220 H ALA 32 HN ALA 32 -2.821 -0.800 1.999 221 HA ALA 32 HA ALA 32 -0.389 -1.834 3.040 222 1HB ALA 32 HB1 ALA 32 -3.200 -1.943 4.148 223 2HB ALA 32 HB2 ALA 32 -1.987 -0.710 4.487 224 3HB ALA 32 HB3 ALA 32 -1.739 -2.363 5.039 225 H LEU 33 HN LEU 33 0.238 -3.573 1.767 226 HA LEU 33 HA LEU 33 -1.659 -5.728 1.277 227 1HB LEU 33 HB2 LEU 33 -0.099 -4.840 -0.498 228 2HB LEU 33 HB1 LEU 33 1.230 -5.518 0.420 229 HG LEU 33 HG LEU 33 0.224 -7.779 0.122 230 1HD1 LEU 33 HD11 LEU 33 -1.647 -6.316 -1.736 231 2HD1 LEU 33 HD12 LEU 33 -2.091 -7.084 -0.210 232 3HD1 LEU 33 HD13 LEU 33 -1.519 -8.067 -1.559 233 1HD2 LEU 33 HD21 LEU 33 0.843 -7.992 -2.241 234 2HD2 LEU 33 HD22 LEU 33 2.003 -7.017 -1.342 235 3HD2 LEU 33 HD23 LEU 33 0.825 -6.236 -2.397 236 H CYS 34 HN CYS 34 -1.177 -7.934 1.857 237 HA CYS 34 HA CYS 34 0.503 -8.078 4.240 238 1HB CYS 34 HB2 CYS 34 -0.536 -10.293 4.614 239 2HB CYS 34 HB1 CYS 34 -1.723 -8.995 4.535 240 HA PRO 35 HA PRO 35 3.809 -9.540 1.846 241 1HB PRO 35 HB2 PRO 35 4.824 -10.676 4.368 242 2HB PRO 35 HB1 PRO 35 5.506 -9.401 3.355 243 1HG PRO 35 HG2 PRO 35 4.392 -8.858 5.734 244 2HG PRO 35 HG1 PRO 35 4.251 -7.743 4.362 245 1HD PRO 35 HD2 PRO 35 2.237 -9.695 5.427 246 2HD PRO 35 HD1 PRO 35 1.988 -8.035 4.843 247 H ASP 36 HN ASP 36 2.067 -11.714 3.961 248 HA ASP 36 HA ASP 36 3.363 -14.052 2.821 249 1HB ASP 36 HB2 ASP 36 1.363 -13.698 5.050 250 2HB ASP 36 HB1 ASP 36 1.854 -15.282 4.456 251 H CYS 37 HN CYS 37 -0.061 -13.155 3.381 252 HA CYS 37 HA CYS 37 -1.015 -15.028 1.465 253 1HB CYS 37 HB2 CYS 37 -2.688 -12.671 2.140 254 2HB CYS 37 HB1 CYS 37 -3.112 -14.377 2.115 255 H ARG 38 HN ARG 38 -0.479 -11.559 1.429 256 HA ARG 38 HA ARG 38 -0.542 -9.963 -0.149 257 1HB ARG 38 HB2 ARG 38 0.089 -12.186 -2.097 258 2HB ARG 38 HB1 ARG 38 0.307 -10.459 -2.364 259 1HG ARG 38 HG2 ARG 38 1.923 -10.467 -0.445 260 2HG ARG 38 HG1 ARG 38 1.819 -12.230 -0.467 261 1HD ARG 38 HD2 ARG 38 3.736 -11.547 -1.740 262 2HD ARG 38 HD1 ARG 38 2.520 -12.191 -2.841 263 HE ARG 38 HE ARG 38 2.734 -9.290 -2.436 264 1HH1 ARG 38 HH11 ARG 38 2.961 -12.087 -4.527 265 2HH1 ARG 38 HH12 ARG 38 3.121 -11.149 -5.976 266 1HH2 ARG 38 HH21 ARG 38 2.954 -8.040 -4.357 267 2HH2 ARG 38 HH22 ARG 38 3.137 -8.859 -5.884 268 H GLN 39 HN GLN 39 -1.393 -9.892 -2.749 269 HA GLN 39 HA GLN 39 -3.208 -9.863 -4.140 270 1HB GLN 39 HB2 GLN 39 -4.551 -11.766 -2.199 271 2HB GLN 39 HB1 GLN 39 -5.066 -11.407 -3.840 272 1HG GLN 39 HG2 GLN 39 -2.380 -12.611 -3.282 273 2HG GLN 39 HG1 GLN 39 -3.825 -13.607 -3.379 274 1HE2 GLN 39 HE21 GLN 39 -3.424 -10.748 -5.337 275 2HE2 GLN 39 HE22 GLN 39 -3.231 -11.572 -6.846 276 HA PRO 40 HA PRO 40 -5.728 -6.635 -2.480 277 1HB PRO 40 HB2 PRO 40 -8.291 -7.441 -3.266 278 2HB PRO 40 HB1 PRO 40 -7.183 -6.444 -4.210 279 1HG PRO 40 HG2 PRO 40 -7.731 -9.367 -4.393 280 2HG PRO 40 HG1 PRO 40 -7.362 -8.206 -5.682 281 1HD PRO 40 HD2 PRO 40 -5.526 -9.949 -4.796 282 2HD PRO 40 HD1 PRO 40 -5.079 -8.298 -5.280 283 H LEU 41 HN LEU 41 -5.818 -6.674 -0.310 284 HA LEU 41 HA LEU 41 -6.981 -8.786 1.206 285 1HB LEU 41 HB2 LEU 41 -6.461 -5.974 2.168 286 2HB LEU 41 HB1 LEU 41 -6.604 -7.415 3.146 287 HG LEU 41 HG LEU 41 -4.305 -6.631 1.360 288 1HD1 LEU 41 HD11 LEU 41 -4.378 -5.565 3.543 289 2HD1 LEU 41 HD12 LEU 41 -3.051 -6.725 3.454 290 3HD1 LEU 41 HD13 LEU 41 -4.531 -7.141 4.321 291 1HD2 LEU 41 HD21 LEU 41 -4.810 -9.236 2.779 292 2HD2 LEU 41 HD22 LEU 41 -3.215 -8.711 2.225 293 3HD2 LEU 41 HD23 LEU 41 -4.520 -8.984 1.055 294 H GLN 42 HN GLN 42 -8.494 -7.536 3.137 295 HA GLN 42 HA GLN 42 -10.908 -6.854 1.642 296 1HB GLN 42 HB2 GLN 42 -10.467 -7.574 4.547 297 2HB GLN 42 HB1 GLN 42 -12.028 -7.129 3.868 298 1HG GLN 42 HG2 GLN 42 -12.025 -9.040 2.435 299 2HG GLN 42 HG1 GLN 42 -10.370 -9.437 2.889 300 1HE2 GLN 42 HE21 GLN 42 -13.695 -9.415 3.905 301 2HE2 GLN 42 HE22 GLN 42 -13.496 -10.474 5.253 302 H VAL 43 HN VAL 43 -11.299 -4.787 1.292 303 HA VAL 43 HA VAL 43 -9.788 -2.761 2.662 304 HB VAL 43 HB VAL 43 -12.052 -2.384 0.692 305 1HG1 VAL 43 HG11 VAL 43 -9.828 -0.524 1.527 306 2HG1 VAL 43 HG12 VAL 43 -11.523 -0.384 1.992 307 3HG1 VAL 43 HG13 VAL 43 -11.053 -0.190 0.304 308 1HG2 VAL 43 HG21 VAL 43 -10.272 -3.763 -0.268 309 2HG2 VAL 43 HG22 VAL 43 -9.085 -2.534 0.168 310 3HG2 VAL 43 HG23 VAL 43 -10.334 -2.170 -1.023 311 H LEU 44 HN LEU 44 -10.351 -2.561 4.728 312 HA LEU 44 HA LEU 44 -13.101 -2.537 5.590 313 1HB LEU 44 HB2 LEU 44 -10.582 -1.883 7.128 314 2HB LEU 44 HB1 LEU 44 -12.162 -2.206 7.816 315 HG LEU 44 HG LEU 44 -10.447 -4.205 6.321 316 1HD1 LEU 44 HD11 LEU 44 -10.245 -5.300 8.495 317 2HD1 LEU 44 HD12 LEU 44 -11.159 -3.990 9.247 318 3HD1 LEU 44 HD13 LEU 44 -9.578 -3.668 8.535 319 1HD2 LEU 44 HD21 LEU 44 -12.129 -5.841 6.987 320 2HD2 LEU 44 HD22 LEU 44 -12.834 -4.589 5.963 321 3HD2 LEU 44 HD23 LEU 44 -13.106 -4.559 7.705 322 H LYS 45 HN LYS 45 -14.193 -0.753 6.482 323 HA LYS 45 HA LYS 45 -13.200 1.809 5.436 324 1HB LYS 45 HB2 LYS 45 -16.027 1.018 6.173 325 2HB LYS 45 HB1 LYS 45 -15.539 2.570 5.513 326 1HG LYS 45 HG2 LYS 45 -16.394 1.474 3.670 327 2HG LYS 45 HG1 LYS 45 -14.661 1.185 3.514 328 1HD LYS 45 HD2 LYS 45 -14.917 -1.031 4.479 329 2HD LYS 45 HD1 LYS 45 -16.640 -0.741 4.734 330 1HE LYS 45 HE2 LYS 45 -16.382 -2.078 2.765 331 2HE LYS 45 HE1 LYS 45 -16.895 -0.465 2.275 332 1HZ LYS 45 HZ1 LYS 45 -15.134 -1.326 0.858 333 2HZ LYS 45 HZ2 LYS 45 -14.105 -1.486 2.199 334 3HZ LYS 45 HZ3 LYS 45 -14.612 0.052 1.694 335 H ALA 46 HN ALA 46 -12.596 3.328 6.814 336 HA ALA 46 HA ALA 46 -13.296 3.007 9.652 337 1HB ALA 46 HB1 ALA 46 -11.145 4.694 8.371 338 2HB ALA 46 HB2 ALA 46 -10.903 3.119 9.128 339 3HB ALA 46 HB3 ALA 46 -11.414 4.498 10.103 340 H CYS 47 HN CYS 47 -14.777 4.259 7.252 341 HA CYS 47 HA CYS 47 -16.206 5.957 6.837 342 1HB CYS 47 HB2 CYS 47 -15.923 6.550 9.792 343 2HB CYS 47 HB1 CYS 47 -17.208 7.128 8.735 344 HG CYS 47 HG CYS 47 -18.708 5.005 8.779 345 H GLY 48 HN GLY 48 -14.689 6.967 5.513 346 1HA GLY 48 HA2 GLY 48 -14.021 9.298 5.077 347 2HA GLY 48 HA1 GLY 48 -13.371 9.329 6.714 348 H ALA 49 HN ALA 49 -12.124 6.891 6.813 349 HA ALA 49 HA ALA 49 -10.116 7.017 4.662 350 1HB ALA 49 HB1 ALA 49 -9.641 6.333 7.566 351 2HB ALA 49 HB2 ALA 49 -9.204 7.852 6.783 352 3HB ALA 49 HB3 ALA 49 -8.424 6.349 6.290 353 H VAL 50 HN VAL 50 -8.929 4.887 4.431 354 HA VAL 50 HA VAL 50 -10.699 2.620 5.056 355 HB VAL 50 HB VAL 50 -10.086 1.584 2.894 356 1HG1 VAL 50 HG11 VAL 50 -11.417 4.281 2.679 357 2HG1 VAL 50 HG12 VAL 50 -12.198 2.752 3.083 358 3HG1 VAL 50 HG13 VAL 50 -11.518 2.996 1.475 359 1HG2 VAL 50 HG21 VAL 50 -9.083 2.936 1.125 360 2HG2 VAL 50 HG22 VAL 50 -7.987 2.780 2.499 361 3HG2 VAL 50 HG23 VAL 50 -8.885 4.277 2.253 362 H ASP 51 HN ASP 51 -9.566 0.505 4.973 363 HA ASP 51 HA ASP 51 -6.670 0.643 5.288 364 1HB ASP 51 HB2 ASP 51 -7.681 1.000 7.564 365 2HB ASP 51 HB1 ASP 51 -8.412 -0.598 7.430 366 H TYR 52 HN TYR 52 -5.643 -1.358 4.982 367 HA TYR 52 HA TYR 52 -7.387 -3.432 3.846 368 1HB TYR 52 HB2 TYR 52 -4.425 -3.044 3.375 369 2HB TYR 52 HB1 TYR 52 -5.479 -4.182 2.549 370 HD1 TYR 52 HD1 TYR 52 -4.749 -0.573 2.980 371 HD2 TYR 52 HD2 TYR 52 -6.684 -3.536 0.620 372 HE1 TYR 52 HE1 TYR 52 -5.139 1.096 1.220 373 HE2 TYR 52 HE2 TYR 52 -7.090 -1.870 -1.144 374 HH TYR 52 HH TYR 52 -5.573 1.204 -1.147 375 H PHE 53 HN PHE 53 -7.732 -5.049 5.223 376 HA PHE 53 HA PHE 53 -5.514 -6.056 6.854 377 1HB PHE 53 HB2 PHE 53 -6.867 -4.246 8.080 378 2HB PHE 53 HB1 PHE 53 -8.182 -5.413 8.109 379 HD1 PHE 53 HD2 PHE 53 -4.736 -4.743 9.273 380 HD2 PHE 53 HD1 PHE 53 -8.215 -7.178 9.668 381 HE1 PHE 53 HE2 PHE 53 -3.832 -5.708 11.345 382 HE2 PHE 53 HE1 PHE 53 -7.310 -8.142 11.741 383 HZ PHE 53 HZ PHE 53 -5.115 -7.407 12.580 384 H CYS 54 HN CYS 54 -5.561 -8.223 7.057 385 HA CYS 54 HA CYS 54 -7.503 -9.692 5.566 386 1HB CYS 54 HB2 CYS 54 -5.247 -10.650 7.339 387 2HB CYS 54 HB1 CYS 54 -6.164 -11.654 6.225 388 H GLN 55 HN GLN 55 -9.414 -10.352 6.328 389 HA GLN 55 HA GLN 55 -9.623 -11.057 9.180 390 1HB GLN 55 HB2 GLN 55 -11.798 -10.531 7.139 391 2HB GLN 55 HB1 GLN 55 -12.082 -11.023 8.801 392 1HG GLN 55 HG2 GLN 55 -11.108 -8.963 9.612 393 2HG GLN 55 HG1 GLN 55 -10.715 -8.478 7.962 394 1HE2 GLN 55 HE21 GLN 55 -12.423 -7.178 9.979 395 2HE2 GLN 55 HE22 GLN 55 -13.968 -6.994 9.215 396 H ASN 56 HN ASN 56 -10.735 -12.153 5.981 397 HA ASN 56 HA ASN 56 -10.386 -14.936 6.892 398 1HB ASN 56 HB2 ASN 56 -12.651 -13.797 5.241 399 2HB ASN 56 HB1 ASN 56 -12.343 -15.520 5.415 400 1HD2 ASN 56 HD21 ASN 56 -13.434 -12.631 6.997 401 2HD2 ASN 56 HD22 ASN 56 -14.144 -13.407 8.368 402 H GLY 57 HN GLY 57 -9.893 -16.464 5.200 403 1HA GLY 57 HA2 GLY 57 -9.065 -17.163 3.166 404 2HA GLY 57 HA1 GLY 57 -9.491 -15.595 2.499 405 H HIS 58 HN HIS 58 -7.665 -15.011 5.166 406 HA HIS 58 HA HIS 58 -5.102 -15.196 3.766 407 1HB HIS 58 HB2 HIS 58 -6.164 -12.640 4.986 408 2HB HIS 58 HB1 HIS 58 -4.552 -12.863 4.333 409 HD2 HIS 58 HD2 HIS 58 -8.206 -12.316 3.077 410 HE1 HIS 58 HE1 HIS 58 -5.535 -11.778 -0.173 411 HE2 HIS 58 HE2 HIS 58 -7.922 -11.570 0.614 412 H GLY 59 HN GLY 59 -5.836 -13.199 6.538 413 1HA GLY 59 HA2 GLY 59 -5.637 -14.531 8.787 414 2HA GLY 59 HA1 GLY 59 -4.009 -14.800 8.167 415 H LEU 60 HN LEU 60 -5.653 -12.931 10.254 416 HA LEU 60 HA LEU 60 -5.126 -10.300 9.488 417 1HB LEU 60 HB2 LEU 60 -5.420 -9.718 11.883 418 2HB LEU 60 HB1 LEU 60 -6.712 -10.681 11.206 419 HG LEU 60 HG LEU 60 -5.388 -12.679 12.295 420 1HD1 LEU 60 HD11 LEU 60 -4.326 -12.047 14.400 421 2HD1 LEU 60 HD12 LEU 60 -4.524 -10.343 13.993 422 3HD1 LEU 60 HD13 LEU 60 -3.466 -11.364 13.020 423 1HD2 LEU 60 HD21 LEU 60 -7.660 -12.028 12.850 424 2HD2 LEU 60 HD22 LEU 60 -7.053 -10.716 13.861 425 3HD2 LEU 60 HD23 LEU 60 -6.748 -12.393 14.315 426 H ILE 61 HN ILE 61 -3.516 -8.927 9.731 427 HA ILE 61 HA ILE 61 -0.960 -9.994 10.714 428 HB ILE 61 HB ILE 61 -0.356 -7.965 8.884 429 1HG1 ILE 61 HG12 ILE 61 -1.409 -8.947 6.772 430 2HG1 ILE 61 HG11 ILE 61 -2.559 -9.746 7.836 431 1HG2 ILE 61 HG21 ILE 61 0.934 -9.993 9.323 432 2HG2 ILE 61 HG22 ILE 61 0.686 -9.726 7.598 433 3HG2 ILE 61 HG23 ILE 61 -0.270 -10.941 8.450 434 1HD1 ILE 61 HD11 ILE 61 -3.328 -7.581 8.643 435 2HD1 ILE 61 HD12 ILE 61 -3.471 -7.696 6.888 436 3HD1 ILE 61 HD13 ILE 61 -2.152 -6.772 7.607 437 H SER 62 HN SER 62 -0.145 -8.875 12.384 438 HA SER 62 HA SER 62 -1.177 -6.483 13.383 439 1HB SER 62 HB2 SER 62 1.643 -7.564 13.656 440 2HB SER 62 HB1 SER 62 0.907 -6.340 14.693 441 HG SER 62 HG SER 62 0.416 -9.099 14.538 442 H LYS 63 HN LYS 63 -0.152 -4.301 13.366 443 HA LYS 63 HA LYS 63 -0.045 -3.540 10.654 444 1HB LYS 63 HB2 LYS 63 0.304 -2.015 13.211 445 2HB LYS 63 HB1 LYS 63 0.509 -1.235 11.646 446 1HG LYS 63 HG2 LYS 63 -1.969 -2.677 12.577 447 2HG LYS 63 HG1 LYS 63 -1.753 -0.926 12.511 448 1HD LYS 63 HD2 LYS 63 -1.496 -1.009 10.105 449 2HD LYS 63 HD1 LYS 63 -1.574 -2.771 10.127 450 1HE LYS 63 HE2 LYS 63 -3.871 -2.669 10.940 451 2HE LYS 63 HE1 LYS 63 -3.791 -0.907 10.972 452 1HZ LYS 63 HZ1 LYS 63 -3.485 -2.563 8.524 453 2HZ LYS 63 HZ2 LYS 63 -3.525 -0.875 8.595 454 3HZ LYS 63 HZ3 LYS 63 -4.911 -1.768 8.974 455 H LYS 64 HN LYS 64 2.550 -4.330 12.843 456 HA LYS 64 HA LYS 64 4.527 -3.135 11.087 457 1HB LYS 64 HB2 LYS 64 4.736 -4.817 13.566 458 2HB LYS 64 HB1 LYS 64 6.143 -4.503 12.560 459 1HG LYS 64 HG2 LYS 64 5.440 -2.015 12.825 460 2HG LYS 64 HG1 LYS 64 4.547 -2.615 14.225 461 1HD LYS 64 HD2 LYS 64 6.555 -3.487 15.207 462 2HD LYS 64 HD1 LYS 64 7.480 -3.121 13.748 463 1HE LYS 64 HE2 LYS 64 6.925 -0.702 14.121 464 2HE LYS 64 HE1 LYS 64 6.244 -1.166 15.681 465 1HZ LYS 64 HZ1 LYS 64 8.510 -0.407 15.930 466 2HZ LYS 64 HZ2 LYS 64 9.063 -1.558 14.817 467 3HZ LYS 64 HZ3 LYS 64 8.419 -2.060 16.302 468 H ARG 65 HN ARG 65 2.796 -6.042 11.312 469 HA ARG 65 HA ARG 65 4.634 -7.528 9.611 470 1HB ARG 65 HB2 ARG 65 2.139 -8.161 11.121 471 2HB ARG 65 HB1 ARG 65 2.525 -9.140 9.713 472 1HG ARG 65 HG2 ARG 65 4.517 -8.676 11.901 473 2HG ARG 65 HG1 ARG 65 3.321 -9.974 11.982 474 1HD ARG 65 HD2 ARG 65 4.150 -10.879 9.875 475 2HD ARG 65 HD1 ARG 65 5.322 -9.567 9.759 476 HE ARG 65 HE ARG 65 6.627 -10.604 11.355 477 1HH1 ARG 65 HH11 ARG 65 3.549 -12.275 11.071 478 2HH1 ARG 65 HH12 ARG 65 4.095 -13.669 11.959 479 1HH2 ARG 65 HH21 ARG 65 7.325 -12.431 12.514 480 2HH2 ARG 65 HH22 ARG 65 6.235 -13.750 12.789 481 H VAL 66 HN VAL 66 2.293 -5.222 9.256 482 HA VAL 66 HA VAL 66 1.327 -6.144 6.665 483 HB VAL 66 HB VAL 66 0.805 -3.508 8.060 484 1HG1 VAL 66 HG11 VAL 66 0.431 -3.390 5.672 485 2HG1 VAL 66 HG12 VAL 66 -1.114 -3.367 6.523 486 3HG1 VAL 66 HG13 VAL 66 -0.567 -4.843 5.730 487 1HG2 VAL 66 HG21 VAL 66 -0.887 -6.002 8.009 488 2HG2 VAL 66 HG22 VAL 66 -1.367 -4.445 8.684 489 3HG2 VAL 66 HG23 VAL 66 -0.036 -5.347 9.408 490 H ASN 67 HN ASN 67 2.142 -5.437 4.752 491 HA ASN 67 HA ASN 67 4.328 -3.473 4.937 492 1HB ASN 67 HB2 ASN 67 4.799 -5.843 4.072 493 2HB ASN 67 HB1 ASN 67 3.895 -5.373 2.635 494 1HD2 ASN 67 HD21 ASN 67 6.709 -6.108 2.947 495 2HD2 ASN 67 HD22 ASN 67 7.613 -4.770 2.325 496 H PHE 68 HN PHE 68 3.475 -1.543 4.557 497 HA PHE 68 HA PHE 68 1.323 -1.076 2.734 498 1HB PHE 68 HB2 PHE 68 3.198 0.788 4.202 499 2HB PHE 68 HB1 PHE 68 1.922 1.362 3.136 500 HD1 PHE 68 HD1 PHE 68 2.471 -0.752 6.157 501 HD2 PHE 68 HD2 PHE 68 -0.188 1.754 3.976 502 HE1 PHE 68 HE1 PHE 68 0.882 -0.813 8.034 503 HE2 PHE 68 HE2 PHE 68 -1.784 1.696 5.847 504 HZ PHE 68 HZ PHE 68 -1.252 0.412 7.880 505 H VAL 69 HN VAL 69 1.787 -1.602 0.666 506 HA VAL 69 HA VAL 69 4.203 -0.419 -0.527 507 HB VAL 69 HB VAL 69 4.052 -2.184 -2.260 508 1HG1 VAL 69 HG11 VAL 69 5.542 -2.474 -0.357 509 2HG1 VAL 69 HG12 VAL 69 4.874 -4.022 -0.875 510 3HG1 VAL 69 HG13 VAL 69 4.238 -3.224 0.564 511 1HG2 VAL 69 HG21 VAL 69 1.674 -2.675 -2.108 512 2HG2 VAL 69 HG22 VAL 69 1.897 -3.330 -0.486 513 3HG2 VAL 69 HG23 VAL 69 2.625 -4.141 -1.871 514 H ILE 70 HN ILE 70 3.885 -0.269 -3.015 515 HA ILE 70 HA ILE 70 1.407 1.235 -3.457 516 HB ILE 70 HB ILE 70 3.922 1.272 -5.137 517 1HG1 ILE 70 HG12 ILE 70 3.039 3.286 -3.059 518 2HG1 ILE 70 HG11 ILE 70 4.281 2.069 -2.789 519 1HG2 ILE 70 HG21 ILE 70 2.976 3.355 -6.031 520 2HG2 ILE 70 HG22 ILE 70 1.535 3.117 -5.043 521 3HG2 ILE 70 HG23 ILE 70 1.922 1.973 -6.329 522 1HD1 ILE 70 HD11 ILE 70 5.643 3.057 -4.545 523 2HD1 ILE 70 HD12 ILE 70 5.246 4.240 -3.298 524 3HD1 ILE 70 HD13 ILE 70 4.393 4.265 -4.843 525 H SER 71 HN SER 71 0.282 -0.819 -3.701 526 HA SER 71 HA SER 71 -0.667 -2.517 -4.895 527 1HB SER 71 HB2 SER 71 -1.017 -0.607 -6.497 528 2HB SER 71 HB1 SER 71 0.474 -1.073 -7.310 529 HG SER 71 HG SER 71 -0.989 -2.147 -8.449 530 H ASP 72 HN ASP 72 0.173 -3.888 -7.209 531 HA ASP 72 HA ASP 72 2.669 -5.112 -6.343 532 1HB ASP 72 HB2 ASP 72 2.255 -6.818 -7.968 533 2HB ASP 72 HB1 ASP 72 0.704 -6.472 -7.215 534 H GLN 73 HN GLN 73 1.325 -3.261 -8.968 535 HA GLN 73 HA GLN 73 3.893 -2.069 -9.592 536 1HB GLN 73 HB2 GLN 73 2.230 -3.540 -11.659 537 2HB GLN 73 HB1 GLN 73 3.546 -2.443 -12.045 538 1HG GLN 73 HG2 GLN 73 5.160 -3.904 -11.164 539 2HG GLN 73 HG1 GLN 73 3.941 -4.883 -10.349 540 1HE2 GLN 73 HE21 GLN 73 2.678 -6.284 -11.535 541 2HE2 GLN 73 HE22 GLN 73 3.130 -6.814 -13.123 542 H LEU 74 HN LEU 74 3.566 0.067 -10.143 543 HA LEU 74 HA LEU 74 0.777 0.845 -10.669 544 1HB LEU 74 HB2 LEU 74 1.696 1.714 -8.532 545 2HB LEU 74 HB1 LEU 74 2.944 2.553 -9.438 546 HG LEU 74 HG LEU 74 1.176 3.867 -10.587 547 1HD1 LEU 74 HD11 LEU 74 -0.662 2.496 -8.634 548 2HD1 LEU 74 HD12 LEU 74 -0.658 2.285 -10.385 549 3HD1 LEU 74 HD13 LEU 74 -1.096 3.844 -9.684 550 1HD2 LEU 74 HD21 LEU 74 1.143 3.998 -7.577 551 2HD2 LEU 74 HD22 LEU 74 0.607 5.278 -8.666 552 3HD2 LEU 74 HD23 LEU 74 2.301 4.790 -8.645 553 H GLU 75 HN GLU 75 0.927 0.589 -12.873 554 HA GLU 75 HA GLU 75 2.680 2.517 -14.243 555 1HB GLU 75 HB2 GLU 75 1.896 0.925 -16.261 556 2HB GLU 75 HB1 GLU 75 3.331 0.615 -15.296 557 1HG GLU 75 HG2 GLU 75 2.019 -1.407 -15.627 558 2HG GLU 75 HG1 GLU 75 2.095 -0.965 -13.926 559 H HIS 76 HN HIS 76 -0.508 1.664 -13.493 560 HA HIS 76 HA HIS 76 -2.528 2.592 -13.913 561 1HB HIS 76 HB2 HIS 76 -1.172 4.774 -13.834 562 2HB HIS 76 HB1 HIS 76 -1.199 4.721 -15.592 563 HD1 HIS 76 HD1 HIS 76 -2.990 6.100 -12.831 564 HD2 HIS 76 HD2 HIS 76 -4.060 4.577 -16.558 565 HE1 HIS 76 HE1 HIS 76 -5.292 6.996 -13.301 566 HE2 HIS 76 HE2 HIS 76 -5.825 6.243 -15.645 567 H HIS 77 HN HIS 77 -3.739 1.363 -15.149 568 HA HIS 77 HA HIS 77 -2.734 0.252 -17.562 569 1HB HIS 77 HB2 HIS 77 -5.362 0.024 -16.124 570 2HB HIS 77 HB1 HIS 77 -5.092 -0.752 -17.683 571 HD1 HIS 77 HD1 HIS 77 -3.521 -2.766 -17.753 572 HD2 HIS 77 HD2 HIS 77 -3.964 -1.118 -13.964 573 HE1 HIS 77 HE1 HIS 77 -2.506 -4.437 -16.167 574 HE2 HIS 77 HE2 HIS 77 -2.924 -3.491 -13.869 575 H HIS 78 HN HIS 78 -3.948 0.172 -19.595 576 HA HIS 78 HA HIS 78 -4.185 2.756 -20.672 577 1HB HIS 78 HB2 HIS 78 -4.899 0.036 -21.749 578 2HB HIS 78 HB1 HIS 78 -5.163 1.505 -22.684 579 HD1 HIS 78 HD1 HIS 78 -2.709 -1.055 -22.176 580 HD2 HIS 78 HD2 HIS 78 -2.596 3.040 -22.924 581 HE1 HIS 78 HE1 HIS 78 -0.393 -0.581 -23.038 582 HE2 HIS 78 HE2 HIS 78 -0.311 1.919 -23.369 583 H HIS 79 HN HIS 79 -5.691 4.105 -20.118 584 HA HIS 79 HA HIS 79 -8.473 3.513 -20.633 585 1HB HIS 79 HB2 HIS 79 -8.126 2.670 -18.303 586 2HB HIS 79 HB1 HIS 79 -7.597 4.279 -17.827 587 HD1 HIS 79 HD1 HIS 79 -9.419 5.184 -16.398 588 HD2 HIS 79 HD2 HIS 79 -10.894 3.268 -19.785 589 HE1 HIS 79 HE1 HIS 79 -11.902 5.563 -16.368 590 HE2 HIS 79 HE2 HIS 79 -12.749 4.531 -18.502 591 H HIS 80 HN HIS 80 -6.177 5.286 -21.370 592 HA HIS 80 HA HIS 80 -5.742 7.417 -21.980 593 1HB HIS 80 HB2 HIS 80 -8.593 7.973 -21.130 594 2HB HIS 80 HB1 HIS 80 -7.544 9.145 -21.914 595 HD1 HIS 80 HD1 HIS 80 -10.311 7.876 -22.985 596 HD2 HIS 80 HD2 HIS 80 -6.452 6.981 -24.264 597 HE1 HIS 80 HE1 HIS 80 -10.558 6.982 -25.320 598 HE2 HIS 80 HE2 HIS 80 -8.243 6.266 -25.999 599 H HIS 81 HN HIS 81 -7.943 8.098 -19.277 600 HA HIS 81 HA HIS 81 -5.621 8.812 -17.631 601 1HB HIS 81 HB2 HIS 81 -8.069 10.541 -18.055 602 2HB HIS 81 HB1 HIS 81 -6.878 10.809 -16.788 603 HD1 HIS 81 HD1 HIS 81 -4.600 11.792 -17.476 604 HD2 HIS 81 HD2 HIS 81 -7.245 11.237 -20.644 605 HE1 HIS 81 HE1 HIS 81 -3.608 13.042 -19.423 606 HE2 HIS 81 HE2 HIS 81 -5.267 12.770 -21.305 Start of MODEL 19 1 1H MET 1 HT1 MET 1 10.838 0.275 6.078 2 2H MET 1 HT2 MET 1 11.625 0.478 7.564 3 3H MET 1 HT3 MET 1 11.941 -0.889 6.615 4 HA MET 1 HA MET 1 13.697 0.831 6.554 5 1HB MET 1 HB2 MET 1 13.331 -0.864 4.744 6 2HB MET 1 HB1 MET 1 12.348 0.320 3.893 7 1HG MET 1 HG2 MET 1 14.559 0.267 2.953 8 2HG MET 1 HG1 MET 1 14.296 1.812 3.760 9 1HE MET 1 HE1 MET 1 18.132 1.110 4.295 10 2HE MET 1 HE2 MET 1 16.938 2.241 3.656 11 3HE MET 1 HE3 MET 1 17.171 0.673 2.883 12 H GLU 2 HN GLU 2 11.641 1.887 3.905 13 HA GLU 2 HA GLU 2 10.559 4.206 4.990 14 1HB GLU 2 HB2 GLU 2 12.955 4.907 5.228 15 2HB GLU 2 HB1 GLU 2 13.128 4.779 3.484 16 1HG GLU 2 HG2 GLU 2 12.798 7.088 4.235 17 2HG GLU 2 HG1 GLU 2 11.524 6.542 3.145 18 H ILE 3 HN ILE 3 9.333 5.337 3.469 19 HA ILE 3 HA ILE 3 9.283 4.151 0.786 20 HB ILE 3 HB ILE 3 7.152 5.464 0.509 21 1HG1 ILE 3 HG12 ILE 3 7.441 5.867 3.497 22 2HG1 ILE 3 HG11 ILE 3 7.573 7.135 2.284 23 1HG2 ILE 3 HG21 ILE 3 7.125 3.094 1.009 24 2HG2 ILE 3 HG22 ILE 3 5.805 3.907 1.850 25 3HG2 ILE 3 HG23 ILE 3 7.255 3.432 2.735 26 1HD1 ILE 3 HD11 ILE 3 5.247 6.780 1.654 27 2HD1 ILE 3 HD12 ILE 3 5.399 7.159 3.371 28 3HD1 ILE 3 HD13 ILE 3 5.116 5.496 2.856 29 H THR 4 HN THR 4 10.119 5.207 -0.894 30 HA THR 4 HA THR 4 10.453 8.098 -0.804 31 HB THR 4 HB THR 4 12.819 6.254 -1.227 32 HG1 THR 4 HG1 THR 4 11.690 7.077 1.045 33 1HG2 THR 4 HG21 THR 4 12.648 9.259 -0.967 34 2HG2 THR 4 HG22 THR 4 13.001 8.364 -2.445 35 3HG2 THR 4 HG23 THR 4 14.138 8.322 -1.096 36 H CYS 5 HN CYS 5 10.561 9.028 -2.827 37 HA CYS 5 HA CYS 5 9.582 7.599 -5.050 38 1HB CYS 5 HB2 CYS 5 9.396 10.095 -4.610 39 2HB CYS 5 HB1 CYS 5 11.076 10.231 -5.115 40 HA PRO 6 HA PRO 6 13.298 5.519 -6.157 41 1HB PRO 6 HB2 PRO 6 12.624 4.709 -8.664 42 2HB PRO 6 HB1 PRO 6 11.963 3.978 -7.198 43 1HG PRO 6 HG2 PRO 6 10.754 6.049 -8.992 44 2HG PRO 6 HG1 PRO 6 9.996 4.619 -8.265 45 1HD PRO 6 HD2 PRO 6 9.674 7.095 -7.240 46 2HD PRO 6 HD1 PRO 6 9.731 5.648 -6.214 47 H VAL 7 HN VAL 7 12.530 8.468 -7.387 48 HA VAL 7 HA VAL 7 15.046 8.625 -8.874 49 HB VAL 7 HB VAL 7 13.973 10.168 -10.525 50 1HG1 VAL 7 HG11 VAL 7 14.437 7.857 -11.125 51 2HG1 VAL 7 HG12 VAL 7 12.945 8.410 -11.886 52 3HG1 VAL 7 HG13 VAL 7 12.877 7.360 -10.471 53 1HG2 VAL 7 HG21 VAL 7 12.000 10.783 -9.242 54 2HG2 VAL 7 HG22 VAL 7 11.408 9.124 -9.328 55 3HG2 VAL 7 HG23 VAL 7 11.539 10.092 -10.797 56 H CYS 8 HN CYS 8 13.317 9.572 -6.348 57 HA CYS 8 HA CYS 8 14.545 12.230 -6.266 58 1HB CYS 8 HB2 CYS 8 11.757 11.608 -5.266 59 2HB CYS 8 HB1 CYS 8 12.568 13.168 -5.201 60 H HIS 9 HN HIS 9 16.154 11.061 -5.089 61 HA HIS 9 HA HIS 9 15.751 9.757 -2.655 62 1HB HIS 9 HB2 HIS 9 17.898 9.718 -3.856 63 2HB HIS 9 HB1 HIS 9 18.139 11.423 -3.488 64 HD1 HIS 9 HD1 HIS 9 19.617 11.812 -1.551 65 HD2 HIS 9 HD2 HIS 9 17.613 8.174 -1.266 66 HE1 HIS 9 HE1 HIS 9 20.443 10.745 0.573 67 HE2 HIS 9 HE2 HIS 9 19.070 8.645 0.827 68 H HIS 10 HN HIS 10 14.196 10.820 -1.513 69 HA HIS 10 HA HIS 10 15.158 12.958 0.202 70 1HB HIS 10 HB2 HIS 10 12.973 13.256 -1.789 71 2HB HIS 10 HB1 HIS 10 12.622 13.853 -0.174 72 HD1 HIS 10 HD1 HIS 10 15.014 14.429 -3.058 73 HD2 HIS 10 HD2 HIS 10 13.771 16.252 0.467 74 HE1 HIS 10 HE1 HIS 10 15.958 16.755 -3.130 75 HE2 HIS 10 HE2 HIS 10 15.385 17.751 -0.886 76 H ALA 11 HN ALA 11 11.851 12.051 -0.306 77 HA ALA 11 HA ALA 11 11.559 9.777 1.232 78 1HB ALA 11 HB1 ALA 11 11.031 12.286 2.840 79 2HB ALA 11 HB2 ALA 11 12.316 11.118 3.148 80 3HB ALA 11 HB3 ALA 11 10.629 10.640 3.331 81 H LEU 12 HN LEU 12 9.142 9.575 1.919 82 HA LEU 12 HA LEU 12 7.510 11.238 0.125 83 1HB LEU 12 HB2 LEU 12 7.141 8.340 0.873 84 2HB LEU 12 HB1 LEU 12 5.927 9.292 0.040 85 HG LEU 12 HG LEU 12 8.678 8.629 -1.010 86 1HD1 LEU 12 HD11 LEU 12 5.948 7.653 -1.840 87 2HD1 LEU 12 HD12 LEU 12 7.175 6.710 -0.992 88 3HD1 LEU 12 HD13 LEU 12 7.472 7.266 -2.640 89 1HD2 LEU 12 HD21 LEU 12 7.922 9.656 -3.086 90 2HD2 LEU 12 HD22 LEU 12 7.924 10.822 -1.763 91 3HD2 LEU 12 HD23 LEU 12 6.404 10.116 -2.314 92 H GLU 13 HN GLU 13 5.947 12.372 1.029 93 HA GLU 13 HA GLU 13 5.538 12.331 3.864 94 1HB GLU 13 HB2 GLU 13 3.481 13.661 2.224 95 2HB GLU 13 HB1 GLU 13 4.438 14.299 3.551 96 1HG GLU 13 HG2 GLU 13 5.454 13.949 0.740 97 2HG GLU 13 HG1 GLU 13 4.784 15.447 1.378 98 H ARG 14 HN ARG 14 4.397 10.735 4.809 99 HA ARG 14 HA ARG 14 2.446 9.285 3.233 100 1HB ARG 14 HB2 ARG 14 2.336 7.725 5.106 101 2HB ARG 14 HB1 ARG 14 4.000 8.013 4.628 102 1HG ARG 14 HG2 ARG 14 3.712 9.858 6.587 103 2HG ARG 14 HG1 ARG 14 2.626 8.588 7.156 104 1HD ARG 14 HD2 ARG 14 4.764 8.139 8.088 105 2HD ARG 14 HD1 ARG 14 4.512 6.962 6.796 106 HE ARG 14 HE ARG 14 5.950 9.401 6.102 107 1HH1 ARG 14 HH11 ARG 14 6.145 5.997 6.963 108 2HH1 ARG 14 HH12 ARG 14 7.751 5.814 6.322 109 1HH2 ARG 14 HH21 ARG 14 8.030 9.136 5.247 110 2HH2 ARG 14 HH22 ARG 14 8.821 7.584 5.345 111 H ASN 15 HN ASN 15 0.487 10.037 3.034 112 HA ASN 15 HA ASN 15 -0.646 11.825 5.024 113 1HB ASN 15 HB2 ASN 15 -1.950 10.769 2.505 114 2HB ASN 15 HB1 ASN 15 -2.446 12.167 3.450 115 1HD2 ASN 15 HD21 ASN 15 -1.175 14.066 3.359 116 2HD2 ASN 15 HD22 ASN 15 -0.104 14.351 2.033 117 H GLY 16 HN GLY 16 -0.263 8.691 5.075 118 1HA GLY 16 HA2 GLY 16 -1.316 7.163 6.512 119 2HA GLY 16 HA1 GLY 16 -2.740 8.196 6.527 120 H ASP 17 HN ASP 17 -3.391 8.497 3.973 121 HA ASP 17 HA ASP 17 -4.164 5.805 3.142 122 1HB ASP 17 HB2 ASP 17 -5.968 7.405 3.310 123 2HB ASP 17 HB1 ASP 17 -5.103 8.553 2.293 124 H THR 18 HN THR 18 -2.533 8.680 1.893 125 HA THR 18 HA THR 18 -1.527 7.065 -0.355 126 HB THR 18 HB THR 18 -1.815 10.003 -0.723 127 HG1 THR 18 HG1 THR 18 -3.982 8.224 -0.385 128 1HG2 THR 18 HG21 THR 18 -0.875 8.574 -2.476 129 2HG2 THR 18 HG22 THR 18 -2.388 9.312 -3.002 130 3HG2 THR 18 HG23 THR 18 -2.359 7.622 -2.499 131 H ALA 19 HN ALA 19 0.553 7.894 -1.252 132 HA ALA 19 HA ALA 19 2.148 9.351 0.762 133 1HB ALA 19 HB1 ALA 19 4.122 8.269 -0.197 134 2HB ALA 19 HB2 ALA 19 3.102 7.431 -1.366 135 3HB ALA 19 HB3 ALA 19 2.951 7.072 0.354 136 H HIS 20 HN HIS 20 3.226 11.197 0.130 137 HA HIS 20 HA HIS 20 2.739 12.070 -2.648 138 1HB HIS 20 HB2 HIS 20 1.330 13.199 -0.904 139 2HB HIS 20 HB1 HIS 20 2.808 13.823 -0.184 140 HD1 HIS 20 HD1 HIS 20 0.674 14.133 -3.277 141 HD2 HIS 20 HD2 HIS 20 3.833 16.085 -1.386 142 HE1 HIS 20 HE1 HIS 20 0.965 16.318 -4.503 143 HE2 HIS 20 HE2 HIS 20 2.975 17.415 -3.436 144 H CYS 21 HN CYS 21 4.422 12.980 -3.764 145 HA CYS 21 HA CYS 21 7.013 13.143 -2.386 146 1HB CYS 21 HB2 CYS 21 6.733 11.824 -4.558 147 2HB CYS 21 HB1 CYS 21 6.496 13.372 -5.366 148 H GLU 22 HN GLU 22 8.014 15.103 -2.069 149 HA GLU 22 HA GLU 22 6.495 17.484 -2.562 150 1HB GLU 22 HB2 GLU 22 9.123 16.903 -1.266 151 2HB GLU 22 HB1 GLU 22 8.732 18.559 -1.707 152 1HG GLU 22 HG2 GLU 22 7.137 16.774 0.115 153 2HG GLU 22 HG1 GLU 22 8.156 18.131 0.598 154 H THR 23 HN THR 23 8.849 15.772 -4.347 155 HA THR 23 HA THR 23 9.743 18.106 -5.822 156 HB THR 23 HB THR 23 11.092 16.563 -7.149 157 HG1 THR 23 HG1 THR 23 9.993 14.448 -5.575 158 1HG2 THR 23 HG21 THR 23 12.516 15.649 -5.375 159 2HG2 THR 23 HG22 THR 23 11.227 15.922 -4.202 160 3HG2 THR 23 HG23 THR 23 11.999 17.292 -5.001 161 H CYS 24 HN CYS 24 7.849 15.177 -6.458 162 HA CYS 24 HA CYS 24 6.657 16.543 -8.771 163 1HB CYS 24 HB2 CYS 24 6.238 13.869 -9.254 164 2HB CYS 24 HB1 CYS 24 7.525 14.838 -9.968 165 H ALA 25 HN ALA 25 4.463 16.409 -9.007 166 HA ALA 25 HA ALA 25 3.064 16.118 -6.501 167 1HB ALA 25 HB1 ALA 25 2.051 16.996 -9.201 168 2HB ALA 25 HB2 ALA 25 2.686 18.056 -7.943 169 3HB ALA 25 HB3 ALA 25 1.196 17.154 -7.666 170 H LYS 26 HN LYS 26 3.984 13.655 -7.684 171 HA LYS 26 HA LYS 26 1.505 12.358 -8.523 172 1HB LYS 26 HB2 LYS 26 3.518 11.785 -9.801 173 2HB LYS 26 HB1 LYS 26 4.323 11.265 -8.325 174 1HG LYS 26 HG2 LYS 26 2.714 9.470 -8.049 175 2HG LYS 26 HG1 LYS 26 1.843 10.007 -9.484 176 1HD LYS 26 HD2 LYS 26 3.802 9.514 -10.860 177 2HD LYS 26 HD1 LYS 26 4.691 9.004 -9.423 178 1HE LYS 26 HE2 LYS 26 3.098 7.205 -9.047 179 2HE LYS 26 HE1 LYS 26 2.143 7.737 -10.429 180 1HZ LYS 26 HZ1 LYS 26 3.528 5.851 -10.995 181 2HZ LYS 26 HZ2 LYS 26 4.929 6.699 -10.541 182 3HZ LYS 26 HZ3 LYS 26 4.015 7.222 -11.874 183 H ASP 27 HN ASP 27 0.293 11.246 -7.152 184 HA ASP 27 HA ASP 27 1.339 10.775 -4.454 185 1HB ASP 27 HB2 ASP 27 -1.511 10.642 -5.478 186 2HB ASP 27 HB1 ASP 27 -1.014 10.403 -3.807 187 H PHE 28 HN PHE 28 1.648 8.788 -3.684 188 HA PHE 28 HA PHE 28 1.327 6.588 -5.592 189 1HB PHE 28 HB2 PHE 28 2.996 6.806 -3.078 190 2HB PHE 28 HB1 PHE 28 2.960 5.409 -4.147 191 HD1 PHE 28 HD1 PHE 28 3.836 5.626 -6.469 192 HD2 PHE 28 HD2 PHE 28 4.333 8.689 -3.554 193 HE1 PHE 28 HE1 PHE 28 5.647 6.607 -7.812 194 HE2 PHE 28 HE2 PHE 28 6.144 9.677 -4.896 195 HZ PHE 28 HZ PHE 28 6.804 8.633 -7.026 196 H SER 29 HN SER 29 -0.392 5.355 -5.345 197 HA SER 29 HA SER 29 -1.987 5.268 -3.016 198 1HB SER 29 HB2 SER 29 -1.874 3.267 -5.291 199 2HB SER 29 HB1 SER 29 -3.211 3.505 -4.164 200 HG SER 29 HG SER 29 -3.349 5.677 -5.009 201 H LEU 30 HN LEU 30 -1.579 4.233 -1.171 202 HA LEU 30 HA LEU 30 0.485 2.154 -1.181 203 1HB LEU 30 HB2 LEU 30 -0.704 3.737 1.103 204 2HB LEU 30 HB1 LEU 30 0.545 2.518 1.271 205 HG LEU 30 HG LEU 30 0.822 5.118 -0.243 206 1HD1 LEU 30 HD11 LEU 30 0.722 5.443 2.169 207 2HD1 LEU 30 HD12 LEU 30 2.350 5.742 1.557 208 3HD1 LEU 30 HD13 LEU 30 1.984 4.231 2.393 209 1HD2 LEU 30 HD21 LEU 30 2.856 2.970 0.353 210 2HD2 LEU 30 HD22 LEU 30 3.182 4.520 -0.425 211 3HD2 LEU 30 HD23 LEU 30 2.160 3.326 -1.227 212 H GLN 31 HN GLN 31 -0.072 0.097 -0.978 213 HA GLN 31 HA GLN 31 -2.743 -0.502 0.105 214 1HB GLN 31 HB2 GLN 31 -1.074 -2.022 -1.900 215 2HB GLN 31 HB1 GLN 31 -2.509 -2.692 -1.134 216 1HG GLN 31 HG2 GLN 31 -3.800 -0.769 -2.051 217 2HG GLN 31 HG1 GLN 31 -2.356 -0.304 -2.949 218 1HE2 GLN 31 HE21 GLN 31 -4.997 -1.126 -3.893 219 2HE2 GLN 31 HE22 GLN 31 -4.722 -2.478 -4.933 220 H ALA 32 HN ALA 32 -2.766 -1.346 2.028 221 HA ALA 32 HA ALA 32 -0.421 -2.441 3.263 222 1HB ALA 32 HB1 ALA 32 -3.283 -2.157 4.167 223 2HB ALA 32 HB2 ALA 32 -1.896 -1.187 4.651 224 3HB ALA 32 HB3 ALA 32 -2.019 -2.869 5.161 225 H LEU 33 HN LEU 33 0.186 -4.309 2.219 226 HA LEU 33 HA LEU 33 -1.837 -6.361 1.732 227 1HB LEU 33 HB2 LEU 33 -0.003 -5.620 0.057 228 2HB LEU 33 HB1 LEU 33 1.077 -6.588 1.041 229 HG LEU 33 HG LEU 33 -0.353 -8.566 0.606 230 1HD1 LEU 33 HD11 LEU 33 -2.453 -7.416 0.162 231 2HD1 LEU 33 HD12 LEU 33 -2.005 -8.440 -1.202 232 3HD1 LEU 33 HD13 LEU 33 -1.766 -6.694 -1.293 233 1HD2 LEU 33 HD21 LEU 33 0.404 -8.885 -1.684 234 2HD2 LEU 33 HD22 LEU 33 1.650 -8.091 -0.723 235 3HD2 LEU 33 HD23 LEU 33 0.673 -7.151 -1.851 236 H CYS 34 HN CYS 34 -1.705 -8.443 2.584 237 HA CYS 34 HA CYS 34 -0.139 -8.649 5.039 238 1HB CYS 34 HB2 CYS 34 -2.571 -9.128 5.152 239 2HB CYS 34 HB1 CYS 34 -2.353 -10.436 3.994 240 HA PRO 35 HA PRO 35 2.894 -11.030 2.746 241 1HB PRO 35 HB2 PRO 35 3.825 -11.573 5.510 242 2HB PRO 35 HB1 PRO 35 4.712 -10.906 4.135 243 1HG PRO 35 HG2 PRO 35 3.962 -9.349 6.170 244 2HG PRO 35 HG1 PRO 35 3.922 -8.758 4.497 245 1HD PRO 35 HD2 PRO 35 1.667 -9.696 6.231 246 2HD PRO 35 HD1 PRO 35 1.715 -8.343 5.083 247 H ASP 36 HN ASP 36 3.062 -13.142 2.242 248 HA ASP 36 HA ASP 36 2.744 -15.399 2.229 249 1HB ASP 36 HB2 ASP 36 3.465 -15.489 4.573 250 2HB ASP 36 HB1 ASP 36 1.835 -15.082 5.099 251 H CYS 37 HN CYS 37 0.250 -13.355 3.500 252 HA CYS 37 HA CYS 37 -1.924 -15.060 2.746 253 1HB CYS 37 HB2 CYS 37 -2.225 -13.552 4.589 254 2HB CYS 37 HB1 CYS 37 -1.738 -12.172 3.616 255 H ARG 38 HN ARG 38 -1.404 -11.712 1.719 256 HA ARG 38 HA ARG 38 -1.993 -10.602 -0.164 257 1HB ARG 38 HB2 ARG 38 0.103 -11.738 -0.887 258 2HB ARG 38 HB1 ARG 38 -0.874 -13.033 -1.577 259 1HG ARG 38 HG2 ARG 38 -1.964 -11.318 -3.032 260 2HG ARG 38 HG1 ARG 38 -0.796 -10.147 -2.424 261 1HD ARG 38 HD2 ARG 38 0.087 -10.917 -4.461 262 2HD ARG 38 HD1 ARG 38 1.002 -11.752 -3.207 263 HE ARG 38 HE ARG 38 -1.230 -13.298 -4.042 264 1HH1 ARG 38 HH11 ARG 38 2.013 -12.358 -4.970 265 2HH1 ARG 38 HH12 ARG 38 2.250 -13.732 -6.012 266 1HH2 ARG 38 HH21 ARG 38 -0.932 -15.091 -5.408 267 2HH2 ARG 38 HH22 ARG 38 0.567 -15.292 -6.264 268 H GLN 39 HN GLN 39 -3.865 -12.638 1.010 269 HA GLN 39 HA GLN 39 -5.563 -13.400 -1.190 270 1HB GLN 39 HB2 GLN 39 -6.062 -13.353 1.801 271 2HB GLN 39 HB1 GLN 39 -7.131 -14.082 0.611 272 1HG GLN 39 HG2 GLN 39 -5.448 -15.710 0.035 273 2HG GLN 39 HG1 GLN 39 -4.290 -14.939 1.119 274 1HE2 GLN 39 HE21 GLN 39 -7.677 -15.342 1.883 275 2HE2 GLN 39 HE22 GLN 39 -7.453 -16.506 3.147 276 HA PRO 40 HA PRO 40 -8.128 -9.775 -1.418 277 1HB PRO 40 HB2 PRO 40 -10.657 -10.537 -0.624 278 2HB PRO 40 HB1 PRO 40 -9.985 -10.803 -2.236 279 1HG PRO 40 HG2 PRO 40 -10.180 -12.691 0.072 280 2HG PRO 40 HG1 PRO 40 -10.444 -12.998 -1.655 281 1HD PRO 40 HD2 PRO 40 -8.169 -13.726 -0.431 282 2HD PRO 40 HD1 PRO 40 -8.175 -13.138 -2.107 283 H LEU 41 HN LEU 41 -6.847 -8.948 0.472 284 HA LEU 41 HA LEU 41 -7.992 -8.747 3.034 285 1HB LEU 41 HB2 LEU 41 -6.120 -6.979 1.482 286 2HB LEU 41 HB1 LEU 41 -6.765 -6.439 3.017 287 HG LEU 41 HG LEU 41 -5.801 -8.769 3.845 288 1HD1 LEU 41 HD11 LEU 41 -3.625 -9.215 2.751 289 2HD1 LEU 41 HD12 LEU 41 -4.093 -8.112 1.454 290 3HD1 LEU 41 HD13 LEU 41 -5.018 -9.589 1.730 291 1HD2 LEU 41 HD21 LEU 41 -5.197 -6.598 4.738 292 2HD2 LEU 41 HD22 LEU 41 -4.136 -6.307 3.359 293 3HD2 LEU 41 HD23 LEU 41 -3.758 -7.591 4.507 294 H GLN 42 HN GLN 42 -9.742 -7.675 3.735 295 HA GLN 42 HA GLN 42 -11.530 -6.517 1.889 296 1HB GLN 42 HB2 GLN 42 -11.471 -6.566 4.903 297 2HB GLN 42 HB1 GLN 42 -12.717 -5.699 4.022 298 1HG GLN 42 HG2 GLN 42 -13.641 -7.781 4.584 299 2HG GLN 42 HG1 GLN 42 -13.256 -7.869 2.868 300 1HE2 GLN 42 HE21 GLN 42 -10.811 -8.085 5.330 301 2HE2 GLN 42 HE22 GLN 42 -10.451 -9.764 5.103 302 H VAL 43 HN VAL 43 -11.546 -4.551 1.062 303 HA VAL 43 HA VAL 43 -9.738 -2.531 1.988 304 HB VAL 43 HB VAL 43 -11.980 -2.223 -0.019 305 1HG1 VAL 43 HG11 VAL 43 -10.640 -0.359 -0.867 306 2HG1 VAL 43 HG12 VAL 43 -9.457 -0.625 0.412 307 3HG1 VAL 43 HG13 VAL 43 -11.095 -0.111 0.819 308 1HG2 VAL 43 HG21 VAL 43 -10.288 -2.638 -1.745 309 2HG2 VAL 43 HG22 VAL 43 -10.509 -4.041 -0.700 310 3HG2 VAL 43 HG23 VAL 43 -9.102 -2.999 -0.490 311 H LEU 44 HN LEU 44 -10.300 -2.008 4.047 312 HA LEU 44 HA LEU 44 -12.982 -1.483 4.859 313 1HB LEU 44 HB2 LEU 44 -10.382 -0.749 6.214 314 2HB LEU 44 HB1 LEU 44 -11.966 -0.775 6.966 315 HG LEU 44 HG LEU 44 -10.538 -3.210 5.865 316 1HD1 LEU 44 HD11 LEU 44 -10.957 -2.327 8.722 317 2HD1 LEU 44 HD12 LEU 44 -9.425 -2.300 7.848 318 3HD1 LEU 44 HD13 LEU 44 -10.214 -3.839 8.196 319 1HD2 LEU 44 HD21 LEU 44 -12.969 -3.404 5.773 320 2HD2 LEU 44 HD22 LEU 44 -13.079 -2.956 7.476 321 3HD2 LEU 44 HD23 LEU 44 -12.293 -4.464 7.010 322 H LYS 45 HN LYS 45 -14.024 0.168 3.992 323 HA LYS 45 HA LYS 45 -12.545 2.588 3.262 324 1HB LYS 45 HB2 LYS 45 -15.331 1.671 2.527 325 2HB LYS 45 HB1 LYS 45 -14.542 3.120 1.916 326 1HG LYS 45 HG2 LYS 45 -12.992 1.887 0.667 327 2HG LYS 45 HG1 LYS 45 -13.345 0.396 1.542 328 1HD LYS 45 HD2 LYS 45 -15.232 1.839 -0.319 329 2HD LYS 45 HD1 LYS 45 -14.327 0.372 -0.699 330 1HE LYS 45 HE2 LYS 45 -15.477 -0.766 1.177 331 2HE LYS 45 HE1 LYS 45 -16.447 0.685 1.421 332 1HZ LYS 45 HZ1 LYS 45 -17.691 -0.859 0.131 333 2HZ LYS 45 HZ2 LYS 45 -16.425 -1.066 -0.972 334 3HZ LYS 45 HZ3 LYS 45 -17.241 0.419 -0.893 335 H ALA 46 HN ALA 46 -12.635 4.315 4.505 336 HA ALA 46 HA ALA 46 -15.046 4.758 6.144 337 1HB ALA 46 HB1 ALA 46 -13.072 4.316 7.532 338 2HB ALA 46 HB2 ALA 46 -13.633 5.977 7.729 339 3HB ALA 46 HB3 ALA 46 -12.215 5.635 6.736 340 H CYS 47 HN CYS 47 -15.274 7.191 6.646 341 HA CYS 47 HA CYS 47 -15.352 8.563 4.133 342 1HB CYS 47 HB2 CYS 47 -16.210 10.461 5.702 343 2HB CYS 47 HB1 CYS 47 -17.209 9.034 5.442 344 HG CYS 47 HG CYS 47 -16.936 7.946 7.861 345 H GLY 48 HN GLY 48 -13.307 8.964 3.431 346 1HA GLY 48 HA2 GLY 48 -11.922 11.113 3.571 347 2HA GLY 48 HA1 GLY 48 -11.549 10.544 5.192 348 H ALA 49 HN ALA 49 -11.305 7.765 4.554 349 HA ALA 49 HA ALA 49 -9.240 7.502 2.564 350 1HB ALA 49 HB1 ALA 49 -7.442 6.920 4.105 351 2HB ALA 49 HB2 ALA 49 -8.486 7.287 5.478 352 3HB ALA 49 HB3 ALA 49 -7.990 8.574 4.380 353 H VAL 50 HN VAL 50 -8.257 5.248 2.655 354 HA VAL 50 HA VAL 50 -10.228 3.336 3.745 355 HB VAL 50 HB VAL 50 -9.696 1.817 1.889 356 1HG1 VAL 50 HG11 VAL 50 -10.825 3.058 0.098 357 2HG1 VAL 50 HG12 VAL 50 -10.567 4.559 0.988 358 3HG1 VAL 50 HG13 VAL 50 -11.602 3.300 1.663 359 1HG2 VAL 50 HG21 VAL 50 -8.036 4.101 0.825 360 2HG2 VAL 50 HG22 VAL 50 -8.424 2.621 -0.051 361 3HG2 VAL 50 HG23 VAL 50 -7.428 2.550 1.403 362 H ASP 51 HN ASP 51 -9.246 1.085 3.997 363 HA ASP 51 HA ASP 51 -6.393 1.065 4.574 364 1HB ASP 51 HB2 ASP 51 -7.661 1.874 6.647 365 2HB ASP 51 HB1 ASP 51 -8.345 0.255 6.730 366 H TYR 52 HN TYR 52 -5.539 -0.880 4.084 367 HA TYR 52 HA TYR 52 -7.395 -3.017 3.361 368 1HB TYR 52 HB2 TYR 52 -4.408 -2.828 2.908 369 2HB TYR 52 HB1 TYR 52 -5.466 -4.078 2.277 370 HD1 TYR 52 HD2 TYR 52 -4.777 -0.432 2.134 371 HD2 TYR 52 HD1 TYR 52 -6.574 -3.784 0.226 372 HE1 TYR 52 HE2 TYR 52 -5.155 0.925 0.122 373 HE2 TYR 52 HE1 TYR 52 -6.954 -2.436 -1.795 374 HH TYR 52 HH TYR 52 -5.618 0.772 -2.141 375 H PHE 53 HN PHE 53 -7.855 -4.548 4.755 376 HA PHE 53 HA PHE 53 -5.921 -5.655 6.613 377 1HB PHE 53 HB2 PHE 53 -6.926 -3.401 7.511 378 2HB PHE 53 HB1 PHE 53 -8.368 -4.360 7.795 379 HD1 PHE 53 HD1 PHE 53 -4.772 -4.039 8.674 380 HD2 PHE 53 HD2 PHE 53 -8.560 -5.718 9.679 381 HE1 PHE 53 HE1 PHE 53 -3.895 -4.704 10.863 382 HE2 PHE 53 HE2 PHE 53 -7.676 -6.390 11.873 383 HZ PHE 53 HZ PHE 53 -5.343 -5.881 12.468 384 H CYS 54 HN CYS 54 -6.383 -7.794 6.419 385 HA CYS 54 HA CYS 54 -8.976 -8.560 5.457 386 1HB CYS 54 HB2 CYS 54 -7.893 -10.916 5.620 387 2HB CYS 54 HB1 CYS 54 -7.329 -9.791 4.394 388 H GLN 55 HN GLN 55 -10.351 -8.082 7.104 389 HA GLN 55 HA GLN 55 -10.013 -9.056 9.760 390 1HB GLN 55 HB2 GLN 55 -11.275 -6.998 9.142 391 2HB GLN 55 HB1 GLN 55 -12.496 -8.004 8.384 392 1HG GLN 55 HG2 GLN 55 -11.825 -8.388 11.268 393 2HG GLN 55 HG1 GLN 55 -12.868 -7.060 10.769 394 1HE2 GLN 55 HE21 GLN 55 -14.870 -7.525 9.830 395 2HE2 GLN 55 HE22 GLN 55 -15.633 -9.075 10.030 396 H ASN 56 HN ASN 56 -12.345 -9.902 7.183 397 HA ASN 56 HA ASN 56 -13.199 -12.223 8.669 398 1HB ASN 56 HB2 ASN 56 -14.854 -10.908 7.434 399 2HB ASN 56 HB1 ASN 56 -14.011 -11.243 5.924 400 1HD2 ASN 56 HD21 ASN 56 -16.001 -12.569 8.451 401 2HD2 ASN 56 HD22 ASN 56 -16.467 -14.002 7.602 402 H GLY 57 HN GLY 57 -11.908 -11.749 5.372 403 1HA GLY 57 HA2 GLY 57 -11.181 -14.501 5.100 404 2HA GLY 57 HA1 GLY 57 -10.712 -13.188 4.026 405 H HIS 58 HN HIS 58 -9.290 -15.496 5.445 406 HA HIS 58 HA HIS 58 -7.224 -15.955 6.214 407 1HB HIS 58 HB2 HIS 58 -6.523 -14.250 4.507 408 2HB HIS 58 HB1 HIS 58 -6.531 -13.045 5.792 409 HD2 HIS 58 HD2 HIS 58 -4.475 -16.220 4.740 410 HE1 HIS 58 HE1 HIS 58 -2.247 -14.027 7.604 411 HE2 HIS 58 HE2 HIS 58 -2.285 -16.054 6.118 412 H GLY 59 HN GLY 59 -7.419 -12.593 7.438 413 1HA GLY 59 HA2 GLY 59 -8.382 -12.674 9.869 414 2HA GLY 59 HA1 GLY 59 -6.975 -13.699 10.125 415 H LEU 60 HN LEU 60 -7.486 -11.243 11.438 416 HA LEU 60 HA LEU 60 -6.486 -8.911 10.388 417 1HB LEU 60 HB2 LEU 60 -5.892 -9.749 13.219 418 2HB LEU 60 HB1 LEU 60 -6.221 -8.141 12.608 419 HG LEU 60 HG LEU 60 -8.245 -10.372 12.816 420 1HD1 LEU 60 HD11 LEU 60 -7.865 -7.894 14.485 421 2HD1 LEU 60 HD12 LEU 60 -7.560 -9.555 14.998 422 3HD1 LEU 60 HD13 LEU 60 -9.204 -9.035 14.621 423 1HD2 LEU 60 HD21 LEU 60 -8.584 -7.471 12.064 424 2HD2 LEU 60 HD22 LEU 60 -9.886 -8.638 12.294 425 3HD2 LEU 60 HD23 LEU 60 -8.734 -8.850 10.975 426 H ILE 61 HN ILE 61 -4.496 -7.789 10.611 427 HA ILE 61 HA ILE 61 -2.115 -9.493 10.956 428 HB ILE 61 HB ILE 61 -1.916 -7.158 9.122 429 1HG1 ILE 61 HG12 ILE 61 -2.440 -8.922 7.223 430 2HG1 ILE 61 HG11 ILE 61 -3.453 -9.640 8.471 431 1HG2 ILE 61 HG21 ILE 61 0.062 -8.406 9.699 432 2HG2 ILE 61 HG22 ILE 61 -0.303 -8.638 7.989 433 3HG2 ILE 61 HG23 ILE 61 -0.686 -9.907 9.152 434 1HD1 ILE 61 HD11 ILE 61 -4.662 -7.529 8.698 435 2HD1 ILE 61 HD12 ILE 61 -4.739 -8.157 7.051 436 3HD1 ILE 61 HD13 ILE 61 -3.654 -6.820 7.438 437 H SER 62 HN SER 62 -0.713 -8.684 12.421 438 HA SER 62 HA SER 62 -1.041 -6.243 13.742 439 1HB SER 62 HB2 SER 62 0.398 -8.039 14.619 440 2HB SER 62 HB1 SER 62 1.514 -7.814 13.272 441 HG SER 62 HG SER 62 1.136 -6.285 15.565 442 H LYS 63 HN LYS 63 -0.625 -4.189 13.119 443 HA LYS 63 HA LYS 63 -0.061 -3.623 10.427 444 1HB LYS 63 HB2 LYS 63 -0.117 -1.857 12.867 445 2HB LYS 63 HB1 LYS 63 0.164 -1.232 11.247 446 1HG LYS 63 HG2 LYS 63 -2.001 -2.160 10.536 447 2HG LYS 63 HG1 LYS 63 -2.284 -2.713 12.188 448 1HD LYS 63 HD2 LYS 63 -2.210 -0.415 12.988 449 2HD LYS 63 HD1 LYS 63 -1.866 0.156 11.353 450 1HE LYS 63 HE2 LYS 63 -4.358 -1.331 12.176 451 2HE LYS 63 HE1 LYS 63 -4.239 0.420 12.000 452 1HZ LYS 63 HZ1 LYS 63 -3.756 0.151 9.669 453 2HZ LYS 63 HZ2 LYS 63 -5.190 -0.672 10.038 454 3HZ LYS 63 HZ3 LYS 63 -3.756 -1.537 9.814 455 H LYS 64 HN LYS 64 2.025 -4.301 13.017 456 HA LYS 64 HA LYS 64 4.343 -2.927 12.014 457 1HB LYS 64 HB2 LYS 64 3.627 -4.439 14.351 458 2HB LYS 64 HB1 LYS 64 5.129 -5.066 13.687 459 1HG LYS 64 HG2 LYS 64 4.615 -2.180 14.370 460 2HG LYS 64 HG1 LYS 64 5.475 -3.332 15.393 461 1HD LYS 64 HD2 LYS 64 7.120 -3.661 13.578 462 2HD LYS 64 HD1 LYS 64 6.284 -2.431 12.629 463 1HE LYS 64 HE2 LYS 64 8.184 -1.428 13.706 464 2HE LYS 64 HE1 LYS 64 6.712 -0.803 14.445 465 1HZ LYS 64 HZ1 LYS 64 7.027 -2.427 16.255 466 2HZ LYS 64 HZ2 LYS 64 8.303 -1.318 16.140 467 3HZ LYS 64 HZ3 LYS 64 8.501 -2.896 15.561 468 H ARG 65 HN ARG 65 2.668 -5.711 11.119 469 HA ARG 65 HA ARG 65 5.040 -6.734 9.703 470 1HB ARG 65 HB2 ARG 65 2.662 -8.214 10.814 471 2HB ARG 65 HB1 ARG 65 3.745 -8.924 9.623 472 1HG ARG 65 HG2 ARG 65 4.463 -7.981 12.389 473 2HG ARG 65 HG1 ARG 65 4.418 -9.647 11.802 474 1HD ARG 65 HD2 ARG 65 6.210 -9.174 10.241 475 2HD ARG 65 HD1 ARG 65 6.227 -7.484 10.738 476 HE ARG 65 HE ARG 65 6.894 -9.673 12.601 477 1HH1 ARG 65 HH11 ARG 65 7.563 -6.556 11.151 478 2HH1 ARG 65 HH12 ARG 65 9.006 -6.289 12.077 479 1HH2 ARG 65 HH21 ARG 65 8.789 -9.330 13.821 480 2HH2 ARG 65 HH22 ARG 65 9.723 -7.881 13.588 481 H VAL 66 HN VAL 66 2.347 -4.995 9.279 482 HA VAL 66 HA VAL 66 1.298 -6.077 6.865 483 HB VAL 66 HB VAL 66 1.117 -3.330 8.109 484 1HG1 VAL 66 HG11 VAL 66 0.970 -3.148 5.662 485 2HG1 VAL 66 HG12 VAL 66 -0.559 -2.776 6.455 486 3HG1 VAL 66 HG13 VAL 66 -0.332 -4.337 5.664 487 1HG2 VAL 66 HG21 VAL 66 -1.186 -3.970 8.552 488 2HG2 VAL 66 HG22 VAL 66 -0.069 -5.138 9.261 489 3HG2 VAL 66 HG23 VAL 66 -0.921 -5.527 7.766 490 H ASN 67 HN ASN 67 1.958 -5.806 4.809 491 HA ASN 67 HA ASN 67 4.417 -4.264 4.393 492 1HB ASN 67 HB2 ASN 67 4.445 -6.631 3.691 493 2HB ASN 67 HB1 ASN 67 3.093 -6.322 2.607 494 1HD2 ASN 67 HD21 ASN 67 5.767 -4.108 3.123 495 2HD2 ASN 67 HD22 ASN 67 6.428 -4.245 1.530 496 H PHE 68 HN PHE 68 3.709 -2.194 4.155 497 HA PHE 68 HA PHE 68 1.551 -1.488 2.405 498 1HB PHE 68 HB2 PHE 68 3.705 0.170 3.733 499 2HB PHE 68 HB1 PHE 68 2.416 0.854 2.751 500 HD1 PHE 68 HD2 PHE 68 3.220 -0.816 5.925 501 HD2 PHE 68 HD1 PHE 68 0.173 1.010 3.578 502 HE1 PHE 68 HE2 PHE 68 1.769 -0.700 7.906 503 HE2 PHE 68 HE1 PHE 68 -1.283 1.128 5.557 504 HZ PHE 68 HZ PHE 68 -0.487 0.273 7.724 505 H VAL 69 HN VAL 69 1.764 -1.842 0.290 506 HA VAL 69 HA VAL 69 4.391 -1.444 -0.952 507 HB VAL 69 HB VAL 69 3.509 -2.686 -2.876 508 1HG1 VAL 69 HG11 VAL 69 3.318 -4.877 -1.800 509 2HG1 VAL 69 HG12 VAL 69 3.077 -4.087 -0.241 510 3HG1 VAL 69 HG13 VAL 69 4.613 -3.912 -1.092 511 1HG2 VAL 69 HG21 VAL 69 0.991 -2.954 -1.231 512 2HG2 VAL 69 HG22 VAL 69 1.326 -3.805 -2.739 513 3HG2 VAL 69 HG23 VAL 69 1.164 -2.048 -2.734 514 H ILE 70 HN ILE 70 4.689 -0.162 -2.751 515 HA ILE 70 HA ILE 70 2.815 2.024 -3.071 516 HB ILE 70 HB ILE 70 5.491 1.450 -4.361 517 1HG1 ILE 70 HG12 ILE 70 4.622 3.511 -2.323 518 2HG1 ILE 70 HG11 ILE 70 5.601 2.086 -1.996 519 1HG2 ILE 70 HG21 ILE 70 5.361 3.735 -5.278 520 2HG2 ILE 70 HG22 ILE 70 3.693 3.840 -4.716 521 3HG2 ILE 70 HG23 ILE 70 4.133 2.660 -5.949 522 1HD1 ILE 70 HD11 ILE 70 6.393 4.405 -3.748 523 2HD1 ILE 70 HD12 ILE 70 7.377 2.981 -3.409 524 3HD1 ILE 70 HD13 ILE 70 6.962 4.096 -2.108 525 H SER 71 HN SER 71 1.112 1.776 -4.359 526 HA SER 71 HA SER 71 1.296 -0.132 -6.574 527 1HB SER 71 HB2 SER 71 -1.145 1.138 -5.318 528 2HB SER 71 HB1 SER 71 -1.141 -0.146 -6.531 529 HG SER 71 HG SER 71 0.313 -0.534 -4.173 530 H ASP 72 HN ASP 72 1.255 0.475 -8.603 531 HA ASP 72 HA ASP 72 0.656 3.287 -9.253 532 1HB ASP 72 HB2 ASP 72 2.990 2.332 -9.724 533 2HB ASP 72 HB1 ASP 72 2.225 1.313 -10.937 534 H GLN 73 HN GLN 73 0.447 2.565 -12.131 535 HA GLN 73 HA GLN 73 -1.061 1.837 -13.672 536 1HB GLN 73 HB2 GLN 73 -1.646 -0.309 -11.621 537 2HB GLN 73 HB1 GLN 73 -2.121 -0.354 -13.313 538 1HG GLN 73 HG2 GLN 73 0.722 -0.269 -12.328 539 2HG GLN 73 HG1 GLN 73 -0.140 -1.731 -12.803 540 1HE2 GLN 73 HE21 GLN 73 1.373 1.197 -13.908 541 2HE2 GLN 73 HE22 GLN 73 1.407 0.778 -15.592 542 H LEU 74 HN LEU 74 -1.908 3.895 -11.978 543 HA LEU 74 HA LEU 74 -4.414 3.593 -10.810 544 1HB LEU 74 HB2 LEU 74 -3.051 5.939 -12.096 545 2HB LEU 74 HB1 LEU 74 -4.682 6.080 -11.476 546 HG LEU 74 HG LEU 74 -3.808 5.365 -9.229 547 1HD1 LEU 74 HD11 LEU 74 -1.128 5.796 -10.535 548 2HD1 LEU 74 HD12 LEU 74 -1.768 4.256 -9.960 549 3HD1 LEU 74 HD13 LEU 74 -1.415 5.548 -8.812 550 1HD2 LEU 74 HD21 LEU 74 -2.626 7.867 -10.422 551 2HD2 LEU 74 HD22 LEU 74 -2.851 7.548 -8.702 552 3HD2 LEU 74 HD23 LEU 74 -4.252 7.700 -9.762 553 H GLU 75 HN GLU 75 -6.513 4.073 -11.549 554 HA GLU 75 HA GLU 75 -8.286 3.781 -12.912 555 1HB GLU 75 HB2 GLU 75 -6.269 4.585 -14.980 556 2HB GLU 75 HB1 GLU 75 -7.843 3.977 -15.472 557 1HG GLU 75 HG2 GLU 75 -7.380 6.338 -13.666 558 2HG GLU 75 HG1 GLU 75 -7.758 6.421 -15.388 559 H HIS 76 HN HIS 76 -8.399 1.683 -12.181 560 HA HIS 76 HA HIS 76 -7.105 -0.421 -13.709 561 1HB HIS 76 HB2 HIS 76 -8.928 -0.461 -11.301 562 2HB HIS 76 HB1 HIS 76 -8.350 -1.923 -12.091 563 HD1 HIS 76 HD1 HIS 76 -7.650 -0.066 -9.244 564 HD2 HIS 76 HD2 HIS 76 -5.252 -1.612 -12.272 565 HE1 HIS 76 HE1 HIS 76 -5.329 -0.206 -8.271 566 HE2 HIS 76 HE2 HIS 76 -3.936 -1.318 -10.060 567 H HIS 77 HN HIS 77 -9.208 -2.352 -13.449 568 HA HIS 77 HA HIS 77 -10.543 -1.699 -15.927 569 1HB HIS 77 HB2 HIS 77 -10.789 -4.218 -14.266 570 2HB HIS 77 HB1 HIS 77 -11.266 -4.011 -15.949 571 HD1 HIS 77 HD1 HIS 77 -9.346 -3.938 -17.731 572 HD2 HIS 77 HD2 HIS 77 -8.083 -4.656 -13.835 573 HE1 HIS 77 HE1 HIS 77 -6.953 -4.678 -17.917 574 HE2 HIS 77 HE2 HIS 77 -6.156 -4.868 -15.538 575 H HIS 78 HN HIS 78 -12.735 -1.466 -16.243 576 HA HIS 78 HA HIS 78 -14.303 -1.113 -13.771 577 1HB HIS 78 HB2 HIS 78 -15.560 0.682 -14.941 578 2HB HIS 78 HB1 HIS 78 -13.861 1.065 -14.703 579 HD1 HIS 78 HD1 HIS 78 -16.294 0.074 -17.431 580 HD2 HIS 78 HD2 HIS 78 -12.448 1.605 -17.000 581 HE1 HIS 78 HE1 HIS 78 -15.585 0.787 -19.731 582 HE2 HIS 78 HE2 HIS 78 -13.200 1.551 -19.478 583 H HIS 79 HN HIS 79 -16.275 -1.968 -13.654 584 HA HIS 79 HA HIS 79 -17.690 -2.873 -15.995 585 1HB HIS 79 HB2 HIS 79 -17.936 -5.214 -15.140 586 2HB HIS 79 HB1 HIS 79 -16.305 -4.826 -15.668 587 HD1 HIS 79 HD1 HIS 79 -18.292 -5.812 -12.680 588 HD2 HIS 79 HD2 HIS 79 -14.385 -4.695 -13.581 589 HE1 HIS 79 HE1 HIS 79 -16.918 -6.443 -10.667 590 HE2 HIS 79 HE2 HIS 79 -14.534 -5.943 -11.318 591 H HIS 80 HN HIS 80 -19.867 -2.859 -15.656 592 HA HIS 80 HA HIS 80 -20.816 -2.679 -12.871 593 1HB HIS 80 HB2 HIS 80 -21.742 -0.870 -15.122 594 2HB HIS 80 HB1 HIS 80 -22.408 -0.904 -13.496 595 HD1 HIS 80 HD1 HIS 80 -21.043 0.267 -11.620 596 HD2 HIS 80 HD2 HIS 80 -19.294 0.452 -15.395 597 HE1 HIS 80 HE1 HIS 80 -19.212 1.980 -11.441 598 HE2 HIS 80 HE2 HIS 80 -18.275 2.193 -13.776 599 H HIS 81 HN HIS 81 -22.154 -2.538 -16.151 600 HA HIS 81 HA HIS 81 -23.244 -5.141 -16.106 601 1HB HIS 81 HB2 HIS 81 -24.833 -4.157 -14.508 602 2HB HIS 81 HB1 HIS 81 -25.205 -2.872 -15.651 603 HD1 HIS 81 HD1 HIS 81 -25.140 -6.673 -16.044 604 HD2 HIS 81 HD2 HIS 81 -27.644 -3.405 -16.658 605 HE1 HIS 81 HE1 HIS 81 -27.249 -7.611 -17.048 606 HE2 HIS 81 HE2 HIS 81 -28.805 -5.637 -17.274 Start of MODEL 20 1 1H MET 1 HT1 MET 1 9.725 2.264 8.195 2 2H MET 1 HT2 MET 1 9.071 3.654 7.472 3 3H MET 1 HT3 MET 1 10.750 3.426 7.500 4 HA MET 1 HA MET 1 10.490 1.439 6.114 5 1HB MET 1 HB2 MET 1 7.657 2.460 5.801 6 2HB MET 1 HB1 MET 1 8.365 1.087 4.966 7 1HG MET 1 HG2 MET 1 7.863 1.292 7.926 8 2HG MET 1 HG1 MET 1 6.899 0.380 6.768 9 1HE MET 1 HE1 MET 1 8.654 -2.422 8.862 10 2HE MET 1 HE2 MET 1 7.115 -1.784 8.282 11 3HE MET 1 HE3 MET 1 8.069 -0.862 9.444 12 H GLU 2 HN GLU 2 11.766 2.185 4.562 13 HA GLU 2 HA GLU 2 11.402 4.864 3.532 14 1HB GLU 2 HB2 GLU 2 13.470 2.756 2.888 15 2HB GLU 2 HB1 GLU 2 13.488 4.403 2.274 16 1HG GLU 2 HG2 GLU 2 13.697 5.263 4.539 17 2HG GLU 2 HG1 GLU 2 13.642 3.621 5.176 18 H ILE 3 HN ILE 3 9.660 4.967 2.262 19 HA ILE 3 HA ILE 3 8.910 2.963 0.380 20 HB ILE 3 HB ILE 3 8.020 5.847 0.385 21 1HG1 ILE 3 HG12 ILE 3 6.749 3.569 1.915 22 2HG1 ILE 3 HG11 ILE 3 7.819 4.756 2.651 23 1HG2 ILE 3 HG21 ILE 3 5.958 4.927 -0.582 24 2HG2 ILE 3 HG22 ILE 3 6.676 3.316 -0.556 25 3HG2 ILE 3 HG23 ILE 3 7.370 4.573 -1.579 26 1HD1 ILE 3 HD11 ILE 3 6.264 6.532 2.068 27 2HD1 ILE 3 HD12 ILE 3 5.477 5.289 3.043 28 3HD1 ILE 3 HD13 ILE 3 5.195 5.357 1.302 29 H THR 4 HN THR 4 10.114 6.243 0.048 30 HA THR 4 HA THR 4 11.362 7.354 -1.450 31 HB THR 4 HB THR 4 13.178 6.232 -2.598 32 HG1 THR 4 HG1 THR 4 11.543 4.042 -2.325 33 1HG2 THR 4 HG21 THR 4 12.735 5.105 0.169 34 2HG2 THR 4 HG22 THR 4 13.444 6.674 -0.213 35 3HG2 THR 4 HG23 THR 4 14.283 5.193 -0.673 36 H CYS 5 HN CYS 5 11.725 7.872 -3.692 37 HA CYS 5 HA CYS 5 9.549 6.909 -5.415 38 1HB CYS 5 HB2 CYS 5 9.578 9.316 -5.103 39 2HB CYS 5 HB1 CYS 5 11.281 9.393 -5.544 40 HA PRO 6 HA PRO 6 12.353 4.432 -7.787 41 1HB PRO 6 HB2 PRO 6 10.637 5.263 -10.074 42 2HB PRO 6 HB1 PRO 6 11.099 3.642 -9.543 43 1HG PRO 6 HG2 PRO 6 8.648 4.567 -9.078 44 2HG PRO 6 HG1 PRO 6 9.498 3.592 -7.864 45 1HD PRO 6 HD2 PRO 6 9.036 6.544 -7.942 46 2HD PRO 6 HD1 PRO 6 9.037 5.437 -6.554 47 H VAL 7 HN VAL 7 11.429 7.647 -8.938 48 HA VAL 7 HA VAL 7 13.951 7.760 -10.459 49 HB VAL 7 HB VAL 7 12.835 9.574 -11.806 50 1HG1 VAL 7 HG11 VAL 7 11.560 7.993 -13.187 51 2HG1 VAL 7 HG12 VAL 7 11.618 6.816 -11.876 52 3HG1 VAL 7 HG13 VAL 7 13.109 7.324 -12.671 53 1HG2 VAL 7 HG21 VAL 7 10.358 8.524 -10.434 54 2HG2 VAL 7 HG22 VAL 7 10.383 9.637 -11.802 55 3HG2 VAL 7 HG23 VAL 7 11.047 10.137 -10.246 56 H CYS 8 HN CYS 8 13.339 8.523 -7.577 57 HA CYS 8 HA CYS 8 14.877 10.999 -7.719 58 1HB CYS 8 HB2 CYS 8 12.278 10.773 -6.196 59 2HB CYS 8 HB1 CYS 8 13.446 12.064 -5.956 60 H HIS 9 HN HIS 9 14.132 8.050 -6.248 61 HA HIS 9 HA HIS 9 14.539 7.025 -4.283 62 1HB HIS 9 HB2 HIS 9 16.930 7.534 -5.042 63 2HB HIS 9 HB1 HIS 9 16.891 8.890 -3.918 64 HD1 HIS 9 HD1 HIS 9 17.733 5.388 -4.109 65 HD2 HIS 9 HD2 HIS 9 16.351 7.950 -1.134 66 HE1 HIS 9 HE1 HIS 9 18.201 4.225 -1.929 67 HE2 HIS 9 HE2 HIS 9 17.210 5.714 -0.160 68 H HIS 10 HN HIS 10 16.066 9.793 -2.836 69 HA HIS 10 HA HIS 10 15.408 11.274 -1.227 70 1HB HIS 10 HB2 HIS 10 14.025 11.863 -3.374 71 2HB HIS 10 HB1 HIS 10 12.663 11.242 -2.456 72 HD1 HIS 10 HD1 HIS 10 11.560 12.833 -0.845 73 HD2 HIS 10 HD2 HIS 10 15.269 14.179 -2.165 74 HE1 HIS 10 HE1 HIS 10 11.756 15.202 -0.032 75 HE2 HIS 10 HE2 HIS 10 13.933 16.046 -0.981 76 H ALA 11 HN ALA 11 13.057 11.709 0.139 77 HA ALA 11 HA ALA 11 12.135 9.061 1.032 78 1HB ALA 11 HB1 ALA 11 12.316 11.599 2.665 79 2HB ALA 11 HB2 ALA 11 13.389 10.205 2.803 80 3HB ALA 11 HB3 ALA 11 11.683 10.051 3.222 81 H LEU 12 HN LEU 12 9.904 8.823 1.283 82 HA LEU 12 HA LEU 12 8.320 10.949 0.020 83 1HB LEU 12 HB2 LEU 12 7.715 8.022 0.443 84 2HB LEU 12 HB1 LEU 12 6.563 9.176 -0.196 85 HG LEU 12 HG LEU 12 9.127 8.261 -1.484 86 1HD1 LEU 12 HD11 LEU 12 6.237 8.044 -2.309 87 2HD1 LEU 12 HD12 LEU 12 7.246 6.733 -1.697 88 3HD1 LEU 12 HD13 LEU 12 7.623 7.487 -3.246 89 1HD2 LEU 12 HD21 LEU 12 8.564 9.756 -3.333 90 2HD2 LEU 12 HD22 LEU 12 8.871 10.656 -1.848 91 3HD2 LEU 12 HD23 LEU 12 7.214 10.403 -2.401 92 H GLU 13 HN GLU 13 7.110 12.179 1.253 93 HA GLU 13 HA GLU 13 6.724 11.466 4.029 94 1HB GLU 13 HB2 GLU 13 6.024 13.971 2.491 95 2HB GLU 13 HB1 GLU 13 5.791 13.762 4.224 96 1HG GLU 13 HG2 GLU 13 8.227 13.333 4.442 97 2HG GLU 13 HG1 GLU 13 8.403 13.723 2.734 98 H ARG 14 HN ARG 14 5.072 10.360 4.670 99 HA ARG 14 HA ARG 14 2.858 9.844 2.895 100 1HB ARG 14 HB2 ARG 14 3.905 8.025 4.166 101 2HB ARG 14 HB1 ARG 14 3.475 8.819 5.673 102 1HG ARG 14 HG2 ARG 14 1.102 8.527 5.136 103 2HG ARG 14 HG1 ARG 14 1.555 7.699 3.644 104 1HD ARG 14 HD2 ARG 14 2.643 5.949 4.896 105 2HD ARG 14 HD1 ARG 14 2.361 6.807 6.410 106 HE ARG 14 HE ARG 14 -0.065 6.236 4.997 107 1HH1 ARG 14 HH11 ARG 14 2.341 4.892 7.171 108 2HH1 ARG 14 HH12 ARG 14 1.240 3.726 7.849 109 1HH2 ARG 14 HH21 ARG 14 -1.498 4.719 5.911 110 2HH2 ARG 14 HH22 ARG 14 -0.929 3.633 7.144 111 H ASN 15 HN ASN 15 0.986 10.885 2.915 112 HA ASN 15 HA ASN 15 0.379 12.684 5.137 113 1HB ASN 15 HB2 ASN 15 -0.853 12.343 2.396 114 2HB ASN 15 HB1 ASN 15 -1.514 13.422 3.620 115 1HD2 ASN 15 HD21 ASN 15 -0.425 14.019 0.985 116 2HD2 ASN 15 HD22 ASN 15 0.856 15.155 1.245 117 H GLY 16 HN GLY 16 -0.176 9.553 4.327 118 1HA GLY 16 HA2 GLY 16 -1.534 8.492 6.233 119 2HA GLY 16 HA1 GLY 16 -2.843 9.456 5.561 120 H ASP 17 HN ASP 17 -3.365 9.096 3.286 121 HA ASP 17 HA ASP 17 -3.408 6.248 2.681 122 1HB ASP 17 HB2 ASP 17 -5.461 7.646 2.471 123 2HB ASP 17 HB1 ASP 17 -4.663 8.595 1.225 124 H THR 18 HN THR 18 -2.125 9.262 1.447 125 HA THR 18 HA THR 18 -0.672 7.766 -0.630 126 HB THR 18 HB THR 18 -2.392 9.275 -1.567 127 HG1 THR 18 HG1 THR 18 -0.882 9.255 -3.059 128 1HG2 THR 18 HG21 THR 18 -2.108 11.710 -1.397 129 2HG2 THR 18 HG22 THR 18 -0.781 11.471 -0.259 130 3HG2 THR 18 HG23 THR 18 -2.417 10.980 0.179 131 H ALA 19 HN ALA 19 1.439 8.394 -1.102 132 HA ALA 19 HA ALA 19 2.759 10.105 0.902 133 1HB ALA 19 HB1 ALA 19 3.577 7.794 0.896 134 2HB ALA 19 HB2 ALA 19 4.827 8.916 0.360 135 3HB ALA 19 HB3 ALA 19 3.960 7.933 -0.820 136 H HIS 20 HN HIS 20 3.678 11.950 0.194 137 HA HIS 20 HA HIS 20 3.321 12.519 -2.657 138 1HB HIS 20 HB2 HIS 20 2.173 13.941 -0.949 139 2HB HIS 20 HB1 HIS 20 3.754 14.458 -0.378 140 HD1 HIS 20 HD1 HIS 20 1.369 14.853 -3.251 141 HD2 HIS 20 HD2 HIS 20 5.032 16.364 -1.962 142 HE1 HIS 20 HE1 HIS 20 1.848 16.840 -4.720 143 HE2 HIS 20 HE2 HIS 20 3.969 17.834 -3.802 144 H CYS 21 HN CYS 21 5.044 12.430 -3.914 145 HA CYS 21 HA CYS 21 7.715 12.853 -2.880 146 1HB CYS 21 HB2 CYS 21 7.347 11.200 -4.672 147 2HB CYS 21 HB1 CYS 21 6.748 12.474 -5.729 148 H GLU 22 HN GLU 22 8.687 14.758 -2.777 149 HA GLU 22 HA GLU 22 7.285 17.126 -3.591 150 1HB GLU 22 HB2 GLU 22 10.015 16.770 -2.345 151 2HB GLU 22 HB1 GLU 22 9.200 18.312 -2.565 152 1HG GLU 22 HG2 GLU 22 8.265 16.030 -0.844 153 2HG GLU 22 HG1 GLU 22 8.985 17.540 -0.285 154 H THR 23 HN THR 23 10.100 15.335 -4.679 155 HA THR 23 HA THR 23 11.360 17.364 -6.119 156 HB THR 23 HB THR 23 11.990 14.940 -7.390 157 HG1 THR 23 HG1 THR 23 11.218 13.549 -5.955 158 1HG2 THR 23 HG21 THR 23 14.068 15.134 -6.100 159 2HG2 THR 23 HG22 THR 23 13.301 16.311 -5.034 160 3HG2 THR 23 HG23 THR 23 13.566 16.703 -6.733 161 H CYS 24 HN CYS 24 9.413 14.661 -7.487 162 HA CYS 24 HA CYS 24 9.122 16.299 -9.907 163 1HB CYS 24 HB2 CYS 24 8.373 14.100 -10.941 164 2HB CYS 24 HB1 CYS 24 10.063 14.205 -10.459 165 H ALA 25 HN ALA 25 7.517 16.049 -7.208 166 HA ALA 25 HA ALA 25 5.381 16.275 -6.489 167 1HB ALA 25 HB1 ALA 25 4.918 17.326 -9.279 168 2HB ALA 25 HB2 ALA 25 5.491 18.267 -7.903 169 3HB ALA 25 HB3 ALA 25 3.868 17.579 -7.884 170 H LYS 26 HN LYS 26 5.245 13.956 -6.346 171 HA LYS 26 HA LYS 26 3.210 12.855 -8.161 172 1HB LYS 26 HB2 LYS 26 5.725 11.467 -7.215 173 2HB LYS 26 HB1 LYS 26 4.380 10.644 -7.990 174 1HG LYS 26 HG2 LYS 26 5.526 12.942 -9.449 175 2HG LYS 26 HG1 LYS 26 6.542 11.508 -9.306 176 1HD LYS 26 HD2 LYS 26 5.306 11.314 -11.338 177 2HD LYS 26 HD1 LYS 26 4.624 10.165 -10.190 178 1HE LYS 26 HE2 LYS 26 2.835 11.259 -11.361 179 2HE LYS 26 HE1 LYS 26 2.835 11.795 -9.682 180 1HZ LYS 26 HZ1 LYS 26 3.845 13.849 -10.319 181 2HZ LYS 26 HZ2 LYS 26 2.501 13.598 -11.323 182 3HZ LYS 26 HZ3 LYS 26 4.067 13.320 -11.917 183 H ASP 27 HN ASP 27 1.508 12.107 -7.075 184 HA ASP 27 HA ASP 27 1.816 11.545 -4.207 185 1HB ASP 27 HB2 ASP 27 -0.664 12.066 -5.867 186 2HB ASP 27 HB1 ASP 27 -0.688 11.654 -4.155 187 H PHE 28 HN PHE 28 2.264 9.495 -3.800 188 HA PHE 28 HA PHE 28 1.131 7.407 -5.533 189 1HB PHE 28 HB2 PHE 28 3.393 7.278 -3.526 190 2HB PHE 28 HB1 PHE 28 2.833 5.929 -4.506 191 HD1 PHE 28 HD1 PHE 28 2.995 6.166 -7.040 192 HD2 PHE 28 HD2 PHE 28 5.029 8.717 -4.310 193 HE1 PHE 28 HE1 PHE 28 4.586 6.790 -8.812 194 HE2 PHE 28 HE2 PHE 28 6.620 9.350 -6.074 195 HZ PHE 28 HZ PHE 28 6.399 8.383 -8.331 196 H SER 29 HN SER 29 -0.730 6.579 -4.789 197 HA SER 29 HA SER 29 -1.424 6.596 -2.009 198 1HB SER 29 HB2 SER 29 -3.155 6.782 -3.747 199 2HB SER 29 HB1 SER 29 -2.735 5.179 -4.350 200 HG SER 29 HG SER 29 -3.884 5.857 -1.830 201 H LEU 30 HN LEU 30 -1.263 4.979 -0.535 202 HA LEU 30 HA LEU 30 0.274 2.630 -1.388 203 1HB LEU 30 HB2 LEU 30 -0.083 3.875 1.333 204 2HB LEU 30 HB1 LEU 30 0.715 2.336 1.072 205 HG LEU 30 HG LEU 30 2.255 3.710 -0.533 206 1HD1 LEU 30 HD11 LEU 30 0.943 5.766 -0.454 207 2HD1 LEU 30 HD12 LEU 30 2.578 6.013 0.158 208 3HD1 LEU 30 HD13 LEU 30 1.227 5.880 1.283 209 1HD2 LEU 30 HD21 LEU 30 2.968 2.598 1.517 210 2HD2 LEU 30 HD22 LEU 30 2.432 3.988 2.461 211 3HD2 LEU 30 HD23 LEU 30 3.762 4.160 1.316 212 H GLN 31 HN GLN 31 -0.224 0.574 -0.465 213 HA GLN 31 HA GLN 31 -3.019 0.275 0.389 214 1HB GLN 31 HB2 GLN 31 -2.287 -0.299 -2.125 215 2HB GLN 31 HB1 GLN 31 -1.808 -1.807 -1.362 216 1HG GLN 31 HG2 GLN 31 -3.953 -2.229 -2.101 217 2HG GLN 31 HG1 GLN 31 -4.174 -1.851 -0.395 218 1HE2 GLN 31 HE21 GLN 31 -3.775 1.061 -0.887 219 2HE2 GLN 31 HE22 GLN 31 -5.252 1.601 -1.606 220 H ALA 32 HN ALA 32 -3.397 -1.763 1.552 221 HA ALA 32 HA ALA 32 -1.046 -2.496 3.131 222 1HB ALA 32 HB1 ALA 32 -3.964 -3.059 3.645 223 2HB ALA 32 HB2 ALA 32 -3.044 -1.723 4.330 224 3HB ALA 32 HB3 ALA 32 -2.632 -3.385 4.749 225 H LEU 33 HN LEU 33 0.035 -4.237 2.505 226 HA LEU 33 HA LEU 33 -1.451 -6.471 1.280 227 1HB LEU 33 HB2 LEU 33 1.265 -5.339 0.675 228 2HB LEU 33 HB1 LEU 33 0.888 -7.001 0.282 229 HG LEU 33 HG LEU 33 -0.976 -6.191 -1.165 230 1HD1 LEU 33 HD11 LEU 33 -1.020 -3.840 -1.819 231 2HD1 LEU 33 HD12 LEU 33 0.216 -3.476 -0.613 232 3HD1 LEU 33 HD13 LEU 33 -1.379 -4.035 -0.102 233 1HD2 LEU 33 HD21 LEU 33 1.755 -5.106 -1.812 234 2HD2 LEU 33 HD22 LEU 33 0.464 -5.423 -2.970 235 3HD2 LEU 33 HD23 LEU 33 1.207 -6.759 -2.087 236 H CYS 34 HN CYS 34 -0.785 -8.587 1.759 237 HA CYS 34 HA CYS 34 0.700 -8.905 4.259 238 1HB CYS 34 HB2 CYS 34 -1.032 -10.797 2.657 239 2HB CYS 34 HB1 CYS 34 -0.064 -11.325 4.028 240 HA PRO 35 HA PRO 35 4.326 -10.398 2.140 241 1HB PRO 35 HB2 PRO 35 5.260 -12.103 4.072 242 2HB PRO 35 HB1 PRO 35 5.483 -10.352 4.116 243 1HG PRO 35 HG2 PRO 35 3.465 -12.043 5.534 244 2HG PRO 35 HG1 PRO 35 4.382 -10.650 6.136 245 1HD PRO 35 HD2 PRO 35 1.807 -10.448 5.365 246 2HD PRO 35 HD1 PRO 35 2.968 -9.126 5.135 247 H ASP 36 HN ASP 36 1.940 -12.534 3.530 248 HA ASP 36 HA ASP 36 2.923 -14.880 2.162 249 1HB ASP 36 HB2 ASP 36 0.466 -14.379 3.842 250 2HB ASP 36 HB1 ASP 36 0.825 -15.933 3.096 251 H CYS 37 HN CYS 37 0.482 -12.431 1.637 252 HA CYS 37 HA CYS 37 -0.094 -13.625 -0.940 253 1HB CYS 37 HB2 CYS 37 -2.543 -13.495 -0.616 254 2HB CYS 37 HB1 CYS 37 -1.780 -14.668 0.443 255 H ARG 38 HN ARG 38 0.128 -12.060 -2.392 256 HA ARG 38 HA ARG 38 -0.354 -9.306 -1.695 257 1HB ARG 38 HB2 ARG 38 1.396 -9.863 -3.347 258 2HB ARG 38 HB1 ARG 38 0.165 -10.523 -4.421 259 1HG ARG 38 HG2 ARG 38 -0.868 -8.340 -4.628 260 2HG ARG 38 HG1 ARG 38 0.291 -7.663 -3.488 261 1HD ARG 38 HD2 ARG 38 2.111 -8.221 -5.051 262 2HD ARG 38 HD1 ARG 38 0.914 -8.823 -6.200 263 HE ARG 38 HE ARG 38 0.255 -6.189 -5.456 264 1HH1 ARG 38 HH11 ARG 38 2.600 -7.941 -7.386 265 2HH1 ARG 38 HH12 ARG 38 2.935 -6.585 -8.421 266 1HH2 ARG 38 HH21 ARG 38 0.672 -4.436 -6.811 267 2HH2 ARG 38 HH22 ARG 38 1.824 -4.590 -8.104 268 H GLN 39 HN GLN 39 -2.461 -9.395 -1.017 269 HA GLN 39 HA GLN 39 -4.466 -9.570 -3.165 270 1HB GLN 39 HB2 GLN 39 -4.813 -10.489 -0.292 271 2HB GLN 39 HB1 GLN 39 -6.069 -10.480 -1.517 272 1HG GLN 39 HG2 GLN 39 -4.814 -12.147 -2.798 273 2HG GLN 39 HG1 GLN 39 -3.576 -12.166 -1.543 274 1HE2 GLN 39 HE21 GLN 39 -6.814 -13.066 -2.389 275 2HE2 GLN 39 HE22 GLN 39 -7.092 -14.133 -1.060 276 HA PRO 40 HA PRO 40 -5.942 -5.799 -1.047 277 1HB PRO 40 HB2 PRO 40 -8.635 -6.032 -1.176 278 2HB PRO 40 HB1 PRO 40 -7.661 -5.601 -2.586 279 1HG PRO 40 HG2 PRO 40 -8.835 -8.244 -1.828 280 2HG PRO 40 HG1 PRO 40 -8.743 -7.474 -3.421 281 1HD PRO 40 HD2 PRO 40 -7.028 -9.434 -2.594 282 2HD PRO 40 HD1 PRO 40 -6.592 -8.186 -3.778 283 H LEU 41 HN LEU 41 -5.728 -8.673 0.141 284 HA LEU 41 HA LEU 41 -6.015 -9.788 2.068 285 1HB LEU 41 HB2 LEU 41 -6.159 -6.936 2.907 286 2HB LEU 41 HB1 LEU 41 -6.628 -8.154 4.077 287 HG LEU 41 HG LEU 41 -4.419 -9.209 3.882 288 1HD1 LEU 41 HD11 LEU 41 -3.739 -6.912 2.058 289 2HD1 LEU 41 HD12 LEU 41 -3.910 -8.599 1.574 290 3HD1 LEU 41 HD13 LEU 41 -2.616 -8.123 2.676 291 1HD2 LEU 41 HD21 LEU 41 -4.290 -6.253 4.449 292 2HD2 LEU 41 HD22 LEU 41 -3.119 -7.461 4.979 293 3HD2 LEU 41 HD23 LEU 41 -4.774 -7.510 5.588 294 H GLN 42 HN GLN 42 -8.266 -7.405 3.104 295 HA GLN 42 HA GLN 42 -10.607 -8.690 2.109 296 1HB GLN 42 HB2 GLN 42 -10.228 -10.166 4.002 297 2HB GLN 42 HB1 GLN 42 -9.969 -8.796 5.068 298 1HG GLN 42 HG2 GLN 42 -12.149 -9.814 5.422 299 2HG GLN 42 HG1 GLN 42 -12.295 -8.153 4.856 300 1HE2 GLN 42 HE21 GLN 42 -13.247 -7.741 2.906 301 2HE2 GLN 42 HE22 GLN 42 -14.064 -8.949 1.974 302 H VAL 43 HN VAL 43 -11.645 -6.951 1.467 303 HA VAL 43 HA VAL 43 -10.897 -4.371 2.389 304 HB VAL 43 HB VAL 43 -13.274 -5.079 0.660 305 1HG1 VAL 43 HG11 VAL 43 -11.706 -2.523 0.976 306 2HG1 VAL 43 HG12 VAL 43 -13.353 -2.819 1.531 307 3HG1 VAL 43 HG13 VAL 43 -12.996 -2.789 -0.196 308 1HG2 VAL 43 HG21 VAL 43 -10.434 -4.470 -0.166 309 2HG2 VAL 43 HG22 VAL 43 -11.804 -4.648 -1.262 310 3HG2 VAL 43 HG23 VAL 43 -11.253 -6.026 -0.310 311 H LEU 44 HN LEU 44 -11.500 -3.600 4.268 312 HA LEU 44 HA LEU 44 -14.172 -4.249 5.299 313 1HB LEU 44 HB2 LEU 44 -11.848 -3.008 6.776 314 2HB LEU 44 HB1 LEU 44 -13.333 -3.631 7.474 315 HG LEU 44 HG LEU 44 -11.202 -5.286 6.118 316 1HD1 LEU 44 HD11 LEU 44 -10.433 -4.457 8.246 317 2HD1 LEU 44 HD12 LEU 44 -10.816 -6.174 8.384 318 3HD1 LEU 44 HD13 LEU 44 -11.931 -4.962 9.021 319 1HD2 LEU 44 HD21 LEU 44 -13.718 -6.129 7.551 320 2HD2 LEU 44 HD22 LEU 44 -12.467 -7.209 6.938 321 3HD2 LEU 44 HD23 LEU 44 -13.424 -6.244 5.814 322 H LYS 45 HN LYS 45 -15.493 -2.784 4.373 323 HA LYS 45 HA LYS 45 -14.665 0.002 4.188 324 1HB LYS 45 HB2 LYS 45 -17.301 -1.222 3.351 325 2HB LYS 45 HB1 LYS 45 -16.634 0.323 2.841 326 1HG LYS 45 HG2 LYS 45 -14.869 -0.808 1.623 327 2HG LYS 45 HG1 LYS 45 -15.453 -2.374 2.189 328 1HD LYS 45 HD2 LYS 45 -16.301 -2.147 0.007 329 2HD LYS 45 HD1 LYS 45 -17.659 -1.773 1.068 330 1HE LYS 45 HE2 LYS 45 -17.619 -0.164 -0.707 331 2HE LYS 45 HE1 LYS 45 -17.136 0.641 0.786 332 1HZ LYS 45 HZ1 LYS 45 -15.731 1.259 -1.100 333 2HZ LYS 45 HZ2 LYS 45 -15.264 -0.361 -1.299 334 3HZ LYS 45 HZ3 LYS 45 -14.834 0.479 0.104 335 H ALA 46 HN ALA 46 -14.662 0.731 6.293 336 HA ALA 46 HA ALA 46 -17.120 0.457 7.851 337 1HB ALA 46 HB1 ALA 46 -14.417 1.530 8.658 338 2HB ALA 46 HB2 ALA 46 -15.015 -0.099 8.970 339 3HB ALA 46 HB3 ALA 46 -15.797 1.287 9.730 340 H CYS 47 HN CYS 47 -17.640 2.529 9.170 341 HA CYS 47 HA CYS 47 -18.045 4.604 7.191 342 1HB CYS 47 HB2 CYS 47 -19.888 3.818 8.693 343 2HB CYS 47 HB1 CYS 47 -19.017 4.513 10.055 344 HG CYS 47 HG CYS 47 -19.275 6.852 7.807 345 H GLY 48 HN GLY 48 -16.081 5.584 6.915 346 1HA GLY 48 HA2 GLY 48 -15.186 7.768 7.822 347 2HA GLY 48 HA1 GLY 48 -14.911 6.864 9.305 348 H ALA 49 HN ALA 49 -14.150 4.450 7.683 349 HA ALA 49 HA ALA 49 -11.703 5.259 6.379 350 1HB ALA 49 HB1 ALA 49 -10.221 4.017 7.872 351 2HB ALA 49 HB2 ALA 49 -11.582 3.660 8.936 352 3HB ALA 49 HB3 ALA 49 -11.037 5.325 8.730 353 H VAL 50 HN VAL 50 -10.756 3.614 5.168 354 HA VAL 50 HA VAL 50 -12.248 1.081 5.093 355 HB VAL 50 HB VAL 50 -11.559 0.944 2.652 356 1HG1 VAL 50 HG11 VAL 50 -13.418 2.356 1.893 357 2HG1 VAL 50 HG12 VAL 50 -13.455 3.146 3.470 358 3HG1 VAL 50 HG13 VAL 50 -13.845 1.432 3.332 359 1HG2 VAL 50 HG21 VAL 50 -11.084 3.053 1.500 360 2HG2 VAL 50 HG22 VAL 50 -9.830 2.677 2.681 361 3HG2 VAL 50 HG23 VAL 50 -11.048 3.896 3.049 362 H ASP 51 HN ASP 51 -11.056 -0.517 5.833 363 HA ASP 51 HA ASP 51 -8.128 -0.339 5.560 364 1HB ASP 51 HB2 ASP 51 -9.887 -1.471 7.705 365 2HB ASP 51 HB1 ASP 51 -8.280 -2.145 7.470 366 H TYR 52 HN TYR 52 -6.955 -2.147 4.963 367 HA TYR 52 HA TYR 52 -8.502 -4.380 3.830 368 1HB TYR 52 HB2 TYR 52 -5.670 -3.501 3.207 369 2HB TYR 52 HB1 TYR 52 -6.507 -4.854 2.457 370 HD1 TYR 52 HD2 TYR 52 -8.629 -4.339 1.125 371 HD2 TYR 52 HD1 TYR 52 -5.847 -1.347 2.304 372 HE1 TYR 52 HE2 TYR 52 -9.529 -2.835 -0.596 373 HE2 TYR 52 HE1 TYR 52 -6.742 0.169 0.589 374 HH TYR 52 HH TYR 52 -7.965 -0.071 -1.619 375 H PHE 53 HN PHE 53 -8.503 -6.134 5.070 376 HA PHE 53 HA PHE 53 -6.239 -6.751 6.816 377 1HB PHE 53 HB2 PHE 53 -7.880 -4.927 7.752 378 2HB PHE 53 HB1 PHE 53 -8.918 -6.304 8.074 379 HD1 PHE 53 HD1 PHE 53 -5.403 -5.214 8.615 380 HD2 PHE 53 HD2 PHE 53 -8.807 -7.256 10.138 381 HE1 PHE 53 HE1 PHE 53 -4.251 -5.517 10.766 382 HE2 PHE 53 HE2 PHE 53 -7.662 -7.572 12.289 383 HZ PHE 53 HZ PHE 53 -5.379 -6.699 12.608 384 H CYS 54 HN CYS 54 -6.049 -8.901 6.392 385 HA CYS 54 HA CYS 54 -8.231 -10.579 5.661 386 1HB CYS 54 HB2 CYS 54 -5.383 -11.175 6.489 387 2HB CYS 54 HB1 CYS 54 -6.527 -12.432 6.053 388 H GLN 55 HN GLN 55 -9.750 -10.412 7.387 389 HA GLN 55 HA GLN 55 -9.011 -10.740 10.098 390 1HB GLN 55 HB2 GLN 55 -11.653 -10.872 8.675 391 2HB GLN 55 HB1 GLN 55 -11.522 -11.202 10.397 392 1HG GLN 55 HG2 GLN 55 -10.511 -8.965 10.699 393 2HG GLN 55 HG1 GLN 55 -10.796 -8.645 8.989 394 1HE2 GLN 55 HE21 GLN 55 -12.144 -6.907 9.503 395 2HE2 GLN 55 HE22 GLN 55 -13.749 -7.131 10.109 396 H ASN 56 HN ASN 56 -11.041 -12.944 8.163 397 HA ASN 56 HA ASN 56 -10.124 -15.108 9.932 398 1HB ASN 56 HB2 ASN 56 -12.575 -14.596 9.823 399 2HB ASN 56 HB1 ASN 56 -12.553 -15.070 8.128 400 1HD2 ASN 56 HD21 ASN 56 -12.407 -17.228 7.596 401 2HD2 ASN 56 HD22 ASN 56 -12.594 -18.493 8.764 402 H GLY 57 HN GLY 57 -10.254 -14.069 6.609 403 1HA GLY 57 HA2 GLY 57 -9.594 -16.662 5.517 404 2HA GLY 57 HA1 GLY 57 -9.709 -15.152 4.628 405 H HIS 58 HN HIS 58 -7.715 -15.705 7.453 406 HA HIS 58 HA HIS 58 -5.293 -16.458 6.423 407 1HB HIS 58 HB2 HIS 58 -5.431 -14.431 4.978 408 2HB HIS 58 HB1 HIS 58 -5.525 -13.435 6.422 409 HD2 HIS 58 HD2 HIS 58 -2.944 -14.565 8.072 410 HE1 HIS 58 HE1 HIS 58 -0.800 -13.650 4.534 411 HE2 HIS 58 HE2 HIS 58 -0.624 -14.241 6.977 412 H GLY 59 HN GLY 59 -6.201 -13.554 8.273 413 1HA GLY 59 HA2 GLY 59 -6.331 -14.186 10.808 414 2HA GLY 59 HA1 GLY 59 -4.629 -14.561 10.535 415 H LEU 60 HN LEU 60 -6.284 -12.365 11.978 416 HA LEU 60 HA LEU 60 -5.799 -9.934 10.662 417 1HB LEU 60 HB2 LEU 60 -6.255 -8.860 12.811 418 2HB LEU 60 HB1 LEU 60 -7.442 -10.085 12.423 419 HG LEU 60 HG LEU 60 -5.162 -10.626 14.317 420 1HD1 LEU 60 HD11 LEU 60 -6.696 -10.099 16.138 421 2HD1 LEU 60 HD12 LEU 60 -7.912 -9.575 14.973 422 3HD1 LEU 60 HD13 LEU 60 -6.398 -8.683 15.129 423 1HD2 LEU 60 HD21 LEU 60 -6.329 -12.587 13.461 424 2HD2 LEU 60 HD22 LEU 60 -7.877 -11.893 13.944 425 3HD2 LEU 60 HD23 LEU 60 -6.691 -12.346 15.169 426 H ILE 61 HN ILE 61 -3.793 -9.671 9.929 427 HA ILE 61 HA ILE 61 -1.440 -10.032 11.526 428 HB ILE 61 HB ILE 61 -1.705 -8.474 8.944 429 1HG1 ILE 61 HG12 ILE 61 -2.576 -10.753 8.636 430 2HG1 ILE 61 HG11 ILE 61 -1.067 -10.521 7.762 431 1HG2 ILE 61 HG21 ILE 61 0.374 -8.066 10.122 432 2HG2 ILE 61 HG22 ILE 61 0.673 -9.001 8.657 433 3HG2 ILE 61 HG23 ILE 61 0.676 -9.800 10.230 434 1HD1 ILE 61 HD11 ILE 61 -1.148 -12.696 8.830 435 2HD1 ILE 61 HD12 ILE 61 -1.379 -11.931 10.402 436 3HD1 ILE 61 HD13 ILE 61 0.134 -11.703 9.524 437 H SER 62 HN SER 62 -0.508 -8.555 12.852 438 HA SER 62 HA SER 62 -1.659 -6.100 13.504 439 1HB SER 62 HB2 SER 62 1.293 -6.743 13.712 440 2HB SER 62 HB1 SER 62 0.351 -5.667 14.742 441 HG SER 62 HG SER 62 -0.793 -7.490 15.503 442 H LYS 63 HN LYS 63 -1.623 -4.127 12.499 443 HA LYS 63 HA LYS 63 -0.686 -4.000 9.837 444 1HB LYS 63 HB2 LYS 63 -1.760 -1.860 11.668 445 2HB LYS 63 HB1 LYS 63 -1.276 -1.535 10.007 446 1HG LYS 63 HG2 LYS 63 -2.874 -3.453 9.388 447 2HG LYS 63 HG1 LYS 63 -3.525 -3.236 11.011 448 1HD LYS 63 HD2 LYS 63 -3.277 -1.005 9.004 449 2HD LYS 63 HD1 LYS 63 -4.727 -1.991 9.186 450 1HE LYS 63 HE2 LYS 63 -4.913 -1.272 11.522 451 2HE LYS 63 HE1 LYS 63 -3.463 -0.286 11.331 452 1HZ LYS 63 HZ1 LYS 63 -5.900 0.077 9.667 453 2HZ LYS 63 HZ2 LYS 63 -4.569 1.130 9.810 454 3HZ LYS 63 HZ3 LYS 63 -5.630 0.917 11.113 455 H LYS 64 HN LYS 64 0.833 -3.369 12.815 456 HA LYS 64 HA LYS 64 2.994 -1.776 12.075 457 1HB LYS 64 HB2 LYS 64 2.558 -2.491 14.367 458 2HB LYS 64 HB1 LYS 64 2.887 -4.160 13.936 459 1HG LYS 64 HG2 LYS 64 5.221 -3.495 13.401 460 2HG LYS 64 HG1 LYS 64 4.850 -1.882 14.020 461 1HD LYS 64 HD2 LYS 64 4.291 -2.834 16.196 462 2HD LYS 64 HD1 LYS 64 4.619 -4.455 15.581 463 1HE LYS 64 HE2 LYS 64 6.956 -3.756 15.133 464 2HE LYS 64 HE1 LYS 64 6.597 -2.201 15.885 465 1HZ LYS 64 HZ1 LYS 64 6.437 -4.855 17.214 466 2HZ LYS 64 HZ2 LYS 64 6.070 -3.367 17.942 467 3HZ LYS 64 HZ3 LYS 64 7.658 -3.698 17.449 468 H ARG 65 HN ARG 65 2.262 -5.112 11.321 469 HA ARG 65 HA ARG 65 4.906 -5.452 10.071 470 1HB ARG 65 HB2 ARG 65 2.883 -7.511 10.952 471 2HB ARG 65 HB1 ARG 65 4.383 -7.882 10.116 472 1HG ARG 65 HG2 ARG 65 5.612 -6.826 12.019 473 2HG ARG 65 HG1 ARG 65 4.064 -6.703 12.864 474 1HD ARG 65 HD2 ARG 65 5.301 -8.708 13.534 475 2HD ARG 65 HD1 ARG 65 3.783 -9.116 12.732 476 HE ARG 65 HE ARG 65 6.269 -9.076 11.166 477 1HH1 ARG 65 HH11 ARG 65 3.574 -10.851 12.540 478 2HH1 ARG 65 HH12 ARG 65 3.932 -12.319 11.677 479 1HH2 ARG 65 HH21 ARG 65 6.720 -10.987 9.989 480 2HH2 ARG 65 HH22 ARG 65 5.727 -12.399 10.222 481 H VAL 66 HN VAL 66 1.881 -4.555 9.227 482 HA VAL 66 HA VAL 66 1.550 -6.168 6.862 483 HB VAL 66 HB VAL 66 0.105 -3.687 7.819 484 1HG1 VAL 66 HG11 VAL 66 0.053 -3.741 5.383 485 2HG1 VAL 66 HG12 VAL 66 -1.534 -4.128 6.049 486 3HG1 VAL 66 HG13 VAL 66 -0.505 -5.415 5.419 487 1HG2 VAL 66 HG21 VAL 66 -1.742 -5.241 8.218 488 2HG2 VAL 66 HG22 VAL 66 -0.305 -5.708 9.131 489 3HG2 VAL 66 HG23 VAL 66 -0.738 -6.580 7.661 490 H ASN 67 HN ASN 67 1.960 -5.578 4.751 491 HA ASN 67 HA ASN 67 4.075 -3.629 4.464 492 1HB ASN 67 HB2 ASN 67 2.843 -5.615 2.556 493 2HB ASN 67 HB1 ASN 67 4.057 -4.444 2.050 494 1HD2 ASN 67 HD21 ASN 67 6.162 -4.660 2.769 495 2HD2 ASN 67 HD22 ASN 67 6.752 -6.118 3.483 496 H PHE 68 HN PHE 68 3.034 -1.657 4.758 497 HA PHE 68 HA PHE 68 0.997 -0.837 2.890 498 1HB PHE 68 HB2 PHE 68 2.651 0.714 4.891 499 2HB PHE 68 HB1 PHE 68 1.437 1.454 3.853 500 HD1 PHE 68 HD2 PHE 68 -0.924 1.022 4.200 501 HD2 PHE 68 HD1 PHE 68 2.026 -0.667 6.759 502 HE1 PHE 68 HE2 PHE 68 -2.666 0.491 5.850 503 HE2 PHE 68 HE1 PHE 68 0.287 -1.199 8.417 504 HZ PHE 68 HZ PHE 68 -2.061 -0.620 7.964 505 H VAL 69 HN VAL 69 1.692 -0.933 0.839 506 HA VAL 69 HA VAL 69 4.110 0.602 0.145 507 HB VAL 69 HB VAL 69 4.646 -1.084 -1.593 508 1HG1 VAL 69 HG11 VAL 69 4.538 -2.191 1.212 509 2HG1 VAL 69 HG12 VAL 69 5.799 -1.148 0.556 510 3HG1 VAL 69 HG13 VAL 69 5.578 -2.774 -0.090 511 1HG2 VAL 69 HG21 VAL 69 3.604 -3.304 -1.489 512 2HG2 VAL 69 HG22 VAL 69 2.426 -2.052 -1.877 513 3HG2 VAL 69 HG23 VAL 69 2.494 -2.723 -0.248 514 H ILE 70 HN ILE 70 4.182 1.210 -2.159 515 HA ILE 70 HA ILE 70 1.743 2.317 -3.081 516 HB ILE 70 HB ILE 70 4.299 1.858 -4.634 517 1HG1 ILE 70 HG12 ILE 70 3.447 4.326 -3.108 518 2HG1 ILE 70 HG11 ILE 70 4.590 3.136 -2.493 519 1HG2 ILE 70 HG21 ILE 70 2.398 2.374 -6.062 520 2HG2 ILE 70 HG22 ILE 70 3.526 3.730 -6.018 521 3HG2 ILE 70 HG23 ILE 70 2.032 3.796 -5.084 522 1HD1 ILE 70 HD11 ILE 70 4.945 4.828 -4.955 523 2HD1 ILE 70 HD12 ILE 70 6.087 3.618 -4.366 524 3HD1 ILE 70 HD13 ILE 70 5.745 5.056 -3.401 525 H SER 71 HN SER 71 0.196 1.421 -4.355 526 HA SER 71 HA SER 71 0.537 -1.366 -5.082 527 1HB SER 71 HB2 SER 71 -1.535 -0.688 -3.965 528 2HB SER 71 HB1 SER 71 -1.892 0.429 -5.281 529 HG SER 71 HG SER 71 -2.083 -1.332 -6.670 530 H ASP 72 HN ASP 72 1.956 -1.299 -6.820 531 HA ASP 72 HA ASP 72 1.175 0.137 -9.221 532 1HB ASP 72 HB2 ASP 72 3.213 -0.860 -10.219 533 2HB ASP 72 HB1 ASP 72 3.560 -0.003 -8.723 534 H GLN 73 HN GLN 73 -0.322 -0.657 -10.518 535 HA GLN 73 HA GLN 73 -0.357 -3.366 -11.399 536 1HB GLN 73 HB2 GLN 73 -1.336 -3.508 -9.061 537 2HB GLN 73 HB1 GLN 73 -2.677 -2.536 -9.651 538 1HG GLN 73 HG2 GLN 73 -3.102 -4.303 -11.360 539 2HG GLN 73 HG1 GLN 73 -1.875 -5.287 -10.563 540 1HE2 GLN 73 HE21 GLN 73 -4.690 -5.833 -10.917 541 2HE2 GLN 73 HE22 GLN 73 -5.355 -6.030 -9.330 542 H LEU 74 HN LEU 74 -2.320 -0.488 -10.834 543 HA LEU 74 HA LEU 74 -3.410 -0.732 -13.551 544 1HB LEU 74 HB2 LEU 74 -5.069 -0.762 -11.738 545 2HB LEU 74 HB1 LEU 74 -4.466 0.776 -11.156 546 HG LEU 74 HG LEU 74 -5.182 1.821 -13.296 547 1HD1 LEU 74 HD11 LEU 74 -6.729 0.597 -14.743 548 2HD1 LEU 74 HD12 LEU 74 -6.454 -0.867 -13.799 549 3HD1 LEU 74 HD13 LEU 74 -5.131 -0.150 -14.721 550 1HD2 LEU 74 HD21 LEU 74 -6.588 1.953 -11.324 551 2HD2 LEU 74 HD22 LEU 74 -7.317 0.397 -11.715 552 3HD2 LEU 74 HD23 LEU 74 -7.582 1.781 -12.774 553 H GLU 75 HN GLU 75 -2.541 0.597 -14.995 554 HA GLU 75 HA GLU 75 -1.570 3.226 -14.087 555 1HB GLU 75 HB2 GLU 75 0.284 1.555 -14.417 556 2HB GLU 75 HB1 GLU 75 -0.175 1.458 -16.108 557 1HG GLU 75 HG2 GLU 75 0.494 4.113 -14.932 558 2HG GLU 75 HG1 GLU 75 1.790 2.988 -15.330 559 H HIS 76 HN HIS 76 -2.330 1.263 -16.955 560 HA HIS 76 HA HIS 76 -2.785 3.545 -18.603 561 1HB HIS 76 HB2 HIS 76 -2.945 0.617 -18.921 562 2HB HIS 76 HB1 HIS 76 -4.004 1.556 -19.971 563 HD1 HIS 76 HD1 HIS 76 -2.846 1.483 -22.163 564 HD2 HIS 76 HD2 HIS 76 -0.264 2.425 -19.044 565 HE1 HIS 76 HE1 HIS 76 -0.646 2.063 -23.250 566 HE2 HIS 76 HE2 HIS 76 0.802 2.871 -21.352 567 H HIS 77 HN HIS 77 -4.708 4.270 -19.509 568 HA HIS 77 HA HIS 77 -6.896 4.321 -17.636 569 1HB HIS 77 HB2 HIS 77 -6.505 5.604 -20.349 570 2HB HIS 77 HB1 HIS 77 -7.937 5.844 -19.355 571 HD1 HIS 77 HD1 HIS 77 -7.824 8.043 -18.264 572 HD2 HIS 77 HD2 HIS 77 -4.075 6.268 -18.519 573 HE1 HIS 77 HE1 HIS 77 -6.243 9.640 -17.140 574 HE2 HIS 77 HE2 HIS 77 -3.957 8.651 -17.523 575 H HIS 78 HN HIS 78 -8.590 3.025 -17.630 576 HA HIS 78 HA HIS 78 -9.750 1.825 -19.943 577 1HB HIS 78 HB2 HIS 78 -7.540 0.524 -19.478 578 2HB HIS 78 HB1 HIS 78 -8.387 -0.123 -18.079 579 HD1 HIS 78 HD1 HIS 78 -8.019 -0.503 -21.721 580 HD2 HIS 78 HD2 HIS 78 -10.613 -1.819 -18.749 581 HE1 HIS 78 HE1 HIS 78 -9.286 -2.427 -22.732 582 HE2 HIS 78 HE2 HIS 78 -10.697 -3.339 -20.848 583 H HIS 79 HN HIS 79 -11.755 0.818 -19.387 584 HA HIS 79 HA HIS 79 -12.983 1.727 -17.016 585 1HB HIS 79 HB2 HIS 79 -13.780 -0.363 -19.033 586 2HB HIS 79 HB1 HIS 79 -14.774 -0.023 -17.622 587 HD1 HIS 79 HD1 HIS 79 -16.738 1.134 -18.630 588 HD2 HIS 79 HD2 HIS 79 -13.124 2.681 -19.990 589 HE1 HIS 79 HE1 HIS 79 -17.337 3.149 -20.013 590 HE2 HIS 79 HE2 HIS 79 -15.149 3.948 -20.985 591 H HIS 80 HN HIS 80 -12.680 -1.719 -17.846 592 HA HIS 80 HA HIS 80 -11.429 -2.177 -15.229 593 1HB HIS 80 HB2 HIS 80 -13.758 -3.740 -16.364 594 2HB HIS 80 HB1 HIS 80 -12.750 -4.324 -15.046 595 HD1 HIS 80 HD1 HIS 80 -15.856 -2.736 -15.578 596 HD2 HIS 80 HD2 HIS 80 -12.775 -2.227 -12.831 597 HE1 HIS 80 HE1 HIS 80 -16.875 -1.507 -13.625 598 HE2 HIS 80 HE2 HIS 80 -14.964 -1.124 -12.020 599 H HIS 81 HN HIS 81 -12.544 -4.568 -17.538 600 HA HIS 81 HA HIS 81 -9.892 -4.753 -18.738 601 1HB HIS 81 HB2 HIS 81 -11.318 -7.045 -17.379 602 2HB HIS 81 HB1 HIS 81 -10.047 -7.290 -18.570 603 HD1 HIS 81 HD1 HIS 81 -7.626 -6.521 -17.887 604 HD2 HIS 81 HD2 HIS 81 -10.452 -6.357 -14.840 605 HE1 HIS 81 HE1 HIS 81 -6.312 -6.270 -15.757 606 HE2 HIS 81 HE2 HIS 81 -8.043 -6.004 -13.947
Contact the webmaster for help, if required. Monday, May 6, 2024 2:41:45 AM GMT (wattos1)