NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
4887 | 1g03 | 4649 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HT1 PRO 1 HT2 PRO 1 4.341 8.864 -0.711 2 HT2 PRO 1 HT1 PRO 1 3.846 10.334 -0.018 3 HA PRO 1 HA PRO 1 6.393 9.171 0.029 4 1HB PRO 1 HB2 PRO 1 7.081 11.812 -0.901 5 2HB PRO 1 HB1 PRO 1 7.520 10.262 -1.629 6 1HG PRO 1 HG2 PRO 1 5.590 12.191 -2.583 7 2HG PRO 1 HG1 PRO 1 6.081 10.668 -3.341 8 1HD PRO 1 HD2 PRO 1 3.596 11.236 -2.011 9 2HD PRO 1 HD1 PRO 1 4.108 9.707 -2.734 10 H VAL 2 HN VAL 2 6.928 9.585 2.085 11 HA VAL 2 HA VAL 2 6.552 12.222 3.286 12 HB VAL 2 HB VAL 2 5.285 11.169 5.253 13 1HG1 VAL 2 HG11 VAL 2 4.301 12.578 3.262 14 2HG1 VAL 2 HG12 VAL 2 3.200 11.697 4.310 15 3HG1 VAL 2 HG13 VAL 2 3.628 11.037 2.733 16 1HG2 VAL 2 HG21 VAL 2 4.133 9.082 4.870 17 2HG2 VAL 2 HG22 VAL 2 5.820 8.811 4.463 18 3HG2 VAL 2 HG23 VAL 2 4.635 9.049 3.182 19 H MET 3 HN MET 3 8.093 12.560 4.882 20 HA MET 3 HA MET 3 9.929 10.251 5.444 21 1HB MET 3 HB2 MET 3 10.452 13.171 5.843 22 2HB MET 3 HB1 MET 3 11.612 11.860 5.668 23 1HG MET 3 HG2 MET 3 10.477 11.494 3.327 24 2HG MET 3 HG1 MET 3 9.877 13.138 3.554 25 1HE MET 3 HE1 MET 3 11.596 15.107 4.433 26 2HE MET 3 HE2 MET 3 10.987 15.056 2.781 27 3HE MET 3 HE3 MET 3 12.679 15.446 3.077 28 H HIS 4 HN HIS 4 10.317 9.655 7.566 29 HA HIS 4 HA HIS 4 9.319 11.360 9.792 30 1HB HIS 4 HB2 HIS 4 8.218 9.328 10.807 31 2HB HIS 4 HB1 HIS 4 7.409 9.949 9.368 32 HD1 HIS 4 HD1 HIS 4 10.345 8.435 8.114 33 HD2 HIS 4 HD2 HIS 4 6.738 6.909 9.544 34 HE1 HIS 4 HE1 HIS 4 10.156 6.076 7.210 35 HA PRO 5 HA PRO 5 13.409 9.220 10.453 36 1HB PRO 5 HB2 PRO 5 14.355 11.663 11.703 37 2HB PRO 5 HB1 PRO 5 14.902 10.935 10.186 38 1HG PRO 5 HG2 PRO 5 13.339 13.327 10.485 39 2HG PRO 5 HG1 PRO 5 13.792 12.530 8.972 40 1HD PRO 5 HD2 PRO 5 11.176 12.589 10.269 41 2HD PRO 5 HD1 PRO 5 11.595 11.938 8.673 42 H HIS 6 HN HIS 6 14.063 8.353 12.466 43 HA HIS 6 HA HIS 6 12.237 8.072 14.541 44 1HB HIS 6 HB2 HIS 6 15.260 8.104 14.797 45 2HB HIS 6 HB1 HIS 6 14.142 7.395 15.962 46 HD1 HIS 6 HD1 HIS 6 12.900 5.213 15.262 47 HD2 HIS 6 HD2 HIS 6 15.623 6.589 12.420 48 HE1 HIS 6 HE1 HIS 6 13.208 3.331 13.595 49 H GLY 7 HN GLY 7 11.457 9.428 16.074 50 1HA GLY 7 HA2 GLY 7 11.186 11.384 17.342 51 2HA GLY 7 HA1 GLY 7 12.924 11.261 17.617 52 H ALA 8 HN ALA 8 10.548 12.431 15.224 53 HA ALA 8 HA ALA 8 12.030 14.896 14.917 54 1HB ALA 8 HB1 ALA 8 11.833 13.591 12.258 55 2HB ALA 8 HB2 ALA 8 12.975 12.825 13.356 56 3HB ALA 8 HB3 ALA 8 13.160 14.527 12.948 57 HA PRO 9 HA PRO 9 8.081 16.107 13.365 58 1HB PRO 9 HB2 PRO 9 8.698 17.772 11.182 59 2HB PRO 9 HB1 PRO 9 8.720 18.265 12.884 60 1HG PRO 9 HG2 PRO 9 10.996 17.933 11.099 61 2HG PRO 9 HG1 PRO 9 11.001 18.503 12.776 62 1HD PRO 9 HD2 PRO 9 11.708 15.844 11.735 63 2HD PRO 9 HD1 PRO 9 11.988 16.511 13.360 64 HA PRO 10 HA PRO 10 7.302 13.448 9.847 65 1HB PRO 10 HB2 PRO 10 4.647 14.266 9.297 66 2HB PRO 10 HB1 PRO 10 5.118 12.965 10.400 67 1HG PRO 10 HG2 PRO 10 4.113 15.658 11.058 68 2HG PRO 10 HG1 PRO 10 4.244 14.234 12.101 69 1HD PRO 10 HD2 PRO 10 5.957 16.533 12.129 70 2HD PRO 10 HD1 PRO 10 6.182 15.013 13.025 71 H ASN 11 HN ASN 11 8.738 14.578 8.402 72 HA ASN 11 HA ASN 11 7.815 17.017 7.069 73 1HB ASN 11 HB2 ASN 11 10.184 16.824 7.414 74 2HB ASN 11 HB1 ASN 11 10.230 15.274 6.592 75 1HD2 ASN 11 HD21 ASN 11 11.007 18.434 6.083 76 2HD2 ASN 11 HD22 ASN 11 10.773 18.532 4.404 77 H HIS 12 HN HIS 12 5.869 16.321 6.186 78 HA HIS 12 HA HIS 12 5.720 14.106 4.322 79 1HB HIS 12 HB2 HIS 12 3.465 15.094 3.783 80 2HB HIS 12 HB1 HIS 12 3.708 14.764 5.499 81 HD1 HIS 12 HD1 HIS 12 2.976 17.481 3.130 82 HD2 HIS 12 HD2 HIS 12 4.385 17.182 7.042 83 HE1 HIS 12 HE1 HIS 12 2.752 19.788 4.150 84 H ARG 13 HN ARG 13 5.294 14.362 1.993 85 HA ARG 13 HA ARG 13 6.665 16.768 0.850 86 1HB ARG 13 HB2 ARG 13 6.472 13.894 -0.034 87 2HB ARG 13 HB1 ARG 13 7.039 15.178 -1.104 88 1HG ARG 13 HG2 ARG 13 8.889 15.668 0.259 89 2HG ARG 13 HG1 ARG 13 8.208 14.826 1.649 90 1HD ARG 13 HD2 ARG 13 10.083 13.588 0.429 91 2HD ARG 13 HD1 ARG 13 8.592 12.673 0.660 92 HE ARG 13 HE ARG 13 8.261 13.860 -1.823 93 1HH1 ARG 13 HH21 ARG 13 10.661 11.929 -0.274 94 2HH1 ARG 13 HH22 ARG 13 11.177 11.160 -1.737 95 1HH2 ARG 13 HH11 ARG 13 8.922 12.868 -3.743 96 2HH2 ARG 13 HH12 ARG 13 10.193 11.692 -3.702 97 HA PRO 14 HA PRO 14 2.361 16.979 -0.724 98 1HB PRO 14 HB2 PRO 14 2.188 19.732 -0.677 99 2HB PRO 14 HB1 PRO 14 1.810 18.692 0.691 100 1HG PRO 14 HG2 PRO 14 4.173 20.441 0.295 101 2HG PRO 14 HG1 PRO 14 3.462 19.837 1.802 102 1HD PRO 14 HD2 PRO 14 5.782 18.819 0.487 103 2HD PRO 14 HD1 PRO 14 4.940 18.086 1.869 104 H TRP 15 HN TRP 15 3.148 20.002 -1.988 105 HA TRP 15 HA TRP 15 3.826 20.766 -4.088 106 1HB TRP 15 HB2 TRP 15 5.799 19.119 -3.559 107 2HB TRP 15 HB1 TRP 15 5.004 18.056 -4.716 108 HD1 TRP 15 HD1 TRP 15 6.708 21.475 -4.473 109 HE1 TRP 15 HE1 TRP 15 7.390 22.222 -6.845 110 HE3 TRP 15 HE3 TRP 15 4.509 17.779 -7.227 111 HZ2 TRP 15 HZ2 TRP 15 7.046 21.364 -9.553 112 HZ3 TRP 15 HZ3 TRP 15 4.702 17.768 -9.697 113 HH2 TRP 15 HH2 TRP 15 5.966 19.553 -10.863 114 H GLN 16 HN GLN 16 2.072 17.802 -3.685 115 HA GLN 16 HA GLN 16 0.225 18.467 -5.787 116 1HB GLN 16 HB2 GLN 16 0.735 16.536 -7.285 117 2HB GLN 16 HB1 GLN 16 2.024 17.739 -7.266 118 1HG GLN 16 HG2 GLN 16 3.213 16.371 -5.542 119 2HG GLN 16 HG1 GLN 16 1.964 15.136 -5.712 120 1HE2 GLN 16 HE21 GLN 16 1.859 15.969 -8.730 121 2HE2 GLN 16 HE22 GLN 16 3.170 15.129 -9.404 122 H MET 17 HN MET 17 0.065 17.648 -3.004 123 HA MET 17 HA MET 17 -0.483 14.861 -2.819 124 1HB MET 17 HB2 MET 17 -0.058 16.494 -0.890 125 2HB MET 17 HB1 MET 17 -1.749 16.970 -1.050 126 1HG MET 17 HG2 MET 17 -2.482 14.690 -0.619 127 2HG MET 17 HG1 MET 17 -0.813 14.120 -0.606 128 1HE MET 17 HE1 MET 17 1.014 15.464 0.957 129 2HE MET 17 HE2 MET 17 0.509 13.825 1.357 130 3HE MET 17 HE3 MET 17 0.675 15.024 2.637 131 H LYS 18 HN LYS 18 -2.053 17.227 -4.481 132 HA LYS 18 HA LYS 18 -4.832 16.617 -3.989 133 1HB LYS 18 HB2 LYS 18 -5.195 17.831 -6.157 134 2HB LYS 18 HB1 LYS 18 -4.230 18.742 -4.995 135 1HG LYS 18 HG2 LYS 18 -2.164 17.990 -6.116 136 2HG LYS 18 HG1 LYS 18 -3.127 17.080 -7.280 137 1HD LYS 18 HD2 LYS 18 -4.241 19.203 -7.966 138 2HD LYS 18 HD1 LYS 18 -3.173 20.084 -6.872 139 1HE LYS 18 HE2 LYS 18 -2.329 20.096 -9.212 140 2HE LYS 18 HE1 LYS 18 -1.211 19.299 -8.106 141 1HZ LYS 18 HZ1 LYS 18 -1.398 17.431 -9.252 142 2HZ LYS 18 HZ2 LYS 18 -2.354 18.244 -10.397 143 3HZ LYS 18 HZ3 LYS 18 -3.087 17.435 -9.095 144 H ASP 19 HN ASP 19 -2.520 14.637 -5.149 145 HA ASP 19 HA ASP 19 -4.240 13.424 -7.263 146 1HB ASP 19 HB2 ASP 19 -1.840 13.620 -7.840 147 2HB ASP 19 HB1 ASP 19 -1.408 12.715 -6.389 148 H LEU 20 HN LEU 20 -2.924 12.734 -4.029 149 HA LEU 20 HA LEU 20 -4.102 10.082 -3.975 150 1HB LEU 20 HB2 LEU 20 -3.726 11.752 -1.488 151 2HB LEU 20 HB1 LEU 20 -3.543 10.005 -1.695 152 HG LEU 20 HG LEU 20 -1.705 12.146 -2.815 153 1HD1 LEU 20 HD11 LEU 20 -1.329 11.832 -0.451 154 2HD1 LEU 20 HD12 LEU 20 -0.050 10.972 -1.308 155 3HD1 LEU 20 HD13 LEU 20 -1.406 10.078 -0.620 156 1HD2 LEU 20 HD21 LEU 20 -0.326 10.085 -3.432 157 2HD2 LEU 20 HD22 LEU 20 -1.777 10.349 -4.399 158 3HD2 LEU 20 HD23 LEU 20 -1.779 9.134 -3.121 159 H GLN 21 HN GLN 21 -5.149 13.375 -3.411 160 HA GLN 21 HA GLN 21 -7.653 12.837 -2.144 161 1HB GLN 21 HB2 GLN 21 -6.460 15.111 -2.533 162 2HB GLN 21 HB1 GLN 21 -7.193 15.070 -4.136 163 1HG GLN 21 HG2 GLN 21 -9.416 14.967 -3.177 164 2HG GLN 21 HG1 GLN 21 -8.756 14.809 -1.550 165 1HE2 GLN 21 HE21 GLN 21 -7.139 16.738 -0.998 166 2HE2 GLN 21 HE22 GLN 21 -7.671 18.282 -1.461 167 H ALA 22 HN ALA 22 -6.668 13.101 -5.553 168 HA ALA 22 HA ALA 22 -9.117 12.761 -6.880 169 1HB ALA 22 HB1 ALA 22 -6.848 13.045 -7.926 170 2HB ALA 22 HB2 ALA 22 -7.854 11.816 -8.691 171 3HB ALA 22 HB3 ALA 22 -6.551 11.338 -7.607 172 H ILE 23 HN ILE 23 -7.116 10.425 -5.159 173 HA ILE 23 HA ILE 23 -8.764 8.117 -5.925 174 HB ILE 23 HB ILE 23 -6.291 8.601 -4.278 175 1HG1 ILE 23 HG12 ILE 23 -5.492 6.655 -5.714 176 2HG1 ILE 23 HG11 ILE 23 -7.029 6.746 -6.563 177 1HG2 ILE 23 HG21 ILE 23 -7.175 7.149 -2.708 178 2HG2 ILE 23 HG22 ILE 23 -6.483 5.987 -3.833 179 3HG2 ILE 23 HG23 ILE 23 -8.205 6.332 -3.876 180 1HD1 ILE 23 HD11 ILE 23 -5.116 9.068 -6.264 181 2HD1 ILE 23 HD12 ILE 23 -6.588 9.036 -7.233 182 3HD1 ILE 23 HD13 ILE 23 -5.211 8.037 -7.689 183 H LYS 24 HN LYS 24 -8.782 10.609 -3.601 184 HA LYS 24 HA LYS 24 -10.471 9.212 -1.581 185 1HB LYS 24 HB2 LYS 24 -8.807 11.130 -1.058 186 2HB LYS 24 HB1 LYS 24 -9.981 12.166 -1.869 187 1HG LYS 24 HG2 LYS 24 -11.730 11.454 -0.310 188 2HG LYS 24 HG1 LYS 24 -10.602 10.349 0.477 189 1HD LYS 24 HD2 LYS 24 -9.164 12.272 1.092 190 2HD LYS 24 HD1 LYS 24 -10.327 13.367 0.344 191 1HE LYS 24 HE2 LYS 24 -10.763 11.583 2.750 192 2HE LYS 24 HE1 LYS 24 -10.825 13.344 2.692 193 1HZ LYS 24 HZ1 LYS 24 -12.678 13.008 1.009 194 2HZ LYS 24 HZ2 LYS 24 -13.040 12.671 2.634 195 3HZ LYS 24 HZ3 LYS 24 -12.735 11.401 1.547 196 H GLN 25 HN GLN 25 -11.019 11.591 -4.230 197 HA GLN 25 HA GLN 25 -13.697 11.797 -3.503 198 1HB GLN 25 HB2 GLN 25 -12.368 12.046 -6.209 199 2HB GLN 25 HB1 GLN 25 -14.097 12.335 -6.013 200 1HG GLN 25 HG2 GLN 25 -12.896 14.450 -5.821 201 2HG GLN 25 HG1 GLN 25 -13.580 14.019 -4.253 202 1HE2 GLN 25 HE21 GLN 25 -10.544 14.172 -6.101 203 2HE2 GLN 25 HE22 GLN 25 -9.521 14.044 -4.753 204 H GLU 26 HN GLU 26 -11.904 9.438 -5.320 205 HA GLU 26 HA GLU 26 -14.089 7.981 -6.514 206 1HB GLU 26 HB2 GLU 26 -11.165 7.439 -6.111 207 2HB GLU 26 HB1 GLU 26 -12.218 6.209 -6.810 208 1HG GLU 26 HG2 GLU 26 -12.928 7.842 -8.546 209 2HG GLU 26 HG1 GLU 26 -11.807 9.023 -7.867 210 H VAL 27 HN VAL 27 -12.485 7.552 -3.330 211 HA VAL 27 HA VAL 27 -13.381 4.878 -2.996 212 HB VAL 27 HB VAL 27 -11.928 5.362 -1.306 213 1HG1 VAL 27 HG11 VAL 27 -13.296 8.036 -0.976 214 2HG1 VAL 27 HG12 VAL 27 -11.790 7.717 -1.826 215 3HG1 VAL 27 HG13 VAL 27 -11.871 7.495 -0.087 216 1HG2 VAL 27 HG21 VAL 27 -14.157 4.563 -0.326 217 2HG2 VAL 27 HG22 VAL 27 -14.426 6.235 0.166 218 3HG2 VAL 27 HG23 VAL 27 -13.044 5.341 0.799 219 H SER 28 HN SER 28 -14.663 8.061 -2.776 220 HA SER 28 HA SER 28 -17.103 7.624 -1.355 221 1HB SER 28 HB2 SER 28 -16.081 9.888 -2.182 222 2HB SER 28 HB1 SER 28 -16.973 9.582 -3.666 223 HG SER 28 HG SER 28 -18.745 10.084 -2.663 224 H GLN 29 HN GLN 29 -16.999 8.275 -4.851 225 HA GLN 29 HA GLN 29 -18.929 7.368 -6.293 226 1HB GLN 29 HB2 GLN 29 -16.280 5.989 -6.380 227 2HB GLN 29 HB1 GLN 29 -17.531 5.781 -7.593 228 1HG GLN 29 HG2 GLN 29 -17.562 8.197 -8.014 229 2HG GLN 29 HG1 GLN 29 -16.333 8.445 -6.777 230 1HE2 GLN 29 HE21 GLN 29 -15.475 5.551 -8.088 231 2HE2 GLN 29 HE22 GLN 29 -14.436 6.076 -9.323 232 H ALA 30 HN ALA 30 -16.983 4.847 -4.649 233 HA ALA 30 HA ALA 30 -19.091 2.808 -5.049 234 1HB ALA 30 HB1 ALA 30 -16.529 2.442 -3.485 235 2HB ALA 30 HB2 ALA 30 -16.556 2.435 -5.250 236 3HB ALA 30 HB3 ALA 30 -17.476 1.229 -4.350 237 H ALA 31 HN ALA 31 -18.788 1.228 -2.856 238 HA ALA 31 HA ALA 31 -20.420 2.626 -0.861 239 1HB ALA 31 HB1 ALA 31 -20.035 -0.071 -1.725 240 2HB ALA 31 HB2 ALA 31 -21.172 0.491 -0.504 241 3HB ALA 31 HB3 ALA 31 -19.555 -0.032 -0.030 242 HA PRO 32 HA PRO 32 -17.385 3.739 2.103 243 1HB PRO 32 HB2 PRO 32 -18.076 1.683 4.110 244 2HB PRO 32 HB1 PRO 32 -18.227 3.443 4.219 245 1HG PRO 32 HG2 PRO 32 -20.363 1.611 3.849 246 2HG PRO 32 HG1 PRO 32 -20.453 3.368 3.654 247 1HD PRO 32 HD2 PRO 32 -20.558 1.329 1.581 248 2HD PRO 32 HD1 PRO 32 -20.761 3.082 1.399 249 H GLY 33 HN GLY 33 -15.688 2.919 0.712 250 1HA GLY 33 HA2 GLY 33 -13.574 1.799 0.723 251 2HA GLY 33 HA1 GLY 33 -14.227 0.614 1.857 252 H SER 34 HN SER 34 -15.285 -1.178 1.051 253 HA SER 34 HA SER 34 -15.935 -2.789 -0.484 254 1HB SER 34 HB2 SER 34 -17.532 -1.923 -1.790 255 2HB SER 34 HB1 SER 34 -16.985 -0.331 -1.299 256 HG SER 34 HG SER 34 -15.548 -0.353 -3.070 257 HA PRO 35 HA PRO 35 -12.396 -3.780 -3.084 258 1HB PRO 35 HB2 PRO 35 -13.809 -4.369 -5.548 259 2HB PRO 35 HB1 PRO 35 -13.145 -5.514 -4.372 260 1HG PRO 35 HG2 PRO 35 -15.926 -4.910 -4.834 261 2HG PRO 35 HG1 PRO 35 -15.253 -6.013 -3.625 262 1HD PRO 35 HD2 PRO 35 -16.447 -3.411 -3.182 263 2HD PRO 35 HD1 PRO 35 -15.805 -4.534 -1.968 264 H GLN 36 HN GLN 36 -14.853 -1.964 -4.909 265 HA GLN 36 HA GLN 36 -13.529 -0.800 -6.969 266 1HB GLN 36 HB2 GLN 36 -15.354 0.472 -4.941 267 2HB GLN 36 HB1 GLN 36 -14.797 1.361 -6.361 268 1HG GLN 36 HG2 GLN 36 -16.953 0.335 -6.863 269 2HG GLN 36 HG1 GLN 36 -15.699 -0.475 -7.803 270 1HE2 GLN 36 HE21 GLN 36 -15.337 -2.709 -7.407 271 2HE2 GLN 36 HE22 GLN 36 -16.195 -3.604 -6.248 272 H PHE 37 HN PHE 37 -13.010 0.089 -3.560 273 HA PHE 37 HA PHE 37 -11.660 2.399 -3.763 274 1HB PHE 37 HB2 PHE 37 -12.124 0.869 -1.751 275 2HB PHE 37 HB1 PHE 37 -10.519 0.204 -2.041 276 HD1 PHE 37 HD1 PHE 37 -11.277 1.554 0.490 277 HD2 PHE 37 HD2 PHE 37 -9.624 3.227 -3.116 278 HE1 PHE 37 HE1 PHE 37 -10.312 3.430 1.785 279 HE2 PHE 37 HE2 PHE 37 -8.672 5.085 -1.817 280 HZ PHE 37 HZ PHE 37 -9.011 5.195 0.634 281 H MET 38 HN MET 38 -10.432 -0.876 -4.005 282 HA MET 38 HA MET 38 -7.695 -0.544 -4.559 283 1HB MET 38 HB2 MET 38 -8.555 -2.741 -4.059 284 2HB MET 38 HB1 MET 38 -9.592 -2.704 -5.485 285 1HG MET 38 HG2 MET 38 -6.628 -2.339 -5.851 286 2HG MET 38 HG1 MET 38 -7.253 -3.958 -5.575 287 1HE MET 38 HE1 MET 38 -8.301 -5.378 -7.097 288 2HE MET 38 HE2 MET 38 -9.182 -4.956 -8.562 289 3HE MET 38 HE3 MET 38 -9.828 -4.490 -6.992 290 H GLN 39 HN GLN 39 -10.452 -0.557 -6.751 291 HA GLN 39 HA GLN 39 -9.208 -0.663 -9.225 292 1HB GLN 39 HB2 GLN 39 -11.704 -0.409 -8.612 293 2HB GLN 39 HB1 GLN 39 -11.401 1.330 -8.639 294 1HG GLN 39 HG2 GLN 39 -10.785 -0.548 -10.943 295 2HG GLN 39 HG1 GLN 39 -12.234 0.452 -10.831 296 1HE2 GLN 39 HE21 GLN 39 -9.408 0.455 -12.425 297 2HE2 GLN 39 HE22 GLN 39 -9.059 2.116 -12.457 298 H THR 40 HN THR 40 -9.780 2.280 -7.271 299 HA THR 40 HA THR 40 -7.980 3.848 -9.077 300 HB THR 40 HB THR 40 -10.157 4.654 -7.843 301 HG1 THR 40 HG1 THR 40 -9.094 6.760 -7.584 302 1HG2 THR 40 HG21 THR 40 -9.652 5.751 -5.665 303 2HG2 THR 40 HG22 THR 40 -8.107 4.927 -5.647 304 3HG2 THR 40 HG23 THR 40 -9.596 3.998 -5.598 305 H ILE 41 HN ILE 41 -7.728 2.475 -5.837 306 HA ILE 41 HA ILE 41 -5.045 3.665 -5.534 307 HB ILE 41 HB ILE 41 -6.221 1.215 -4.195 308 1HG1 ILE 41 HG12 ILE 41 -7.167 3.750 -3.885 309 2HG1 ILE 41 HG11 ILE 41 -7.207 2.544 -2.609 310 1HG2 ILE 41 HG21 ILE 41 -3.712 2.793 -3.697 311 2HG2 ILE 41 HG22 ILE 41 -3.869 1.067 -4.019 312 3HG2 ILE 41 HG23 ILE 41 -4.410 1.728 -2.479 313 1HD1 ILE 41 HD11 ILE 41 -5.171 3.409 -1.618 314 2HD1 ILE 41 HD12 ILE 41 -6.248 4.775 -1.889 315 3HD1 ILE 41 HD13 ILE 41 -4.900 4.485 -2.990 316 H ARG 42 HN ARG 42 -6.356 1.256 -7.477 317 HA ARG 42 HA ARG 42 -3.961 -0.376 -7.659 318 1HB ARG 42 HB2 ARG 42 -6.060 -1.367 -8.346 319 2HB ARG 42 HB1 ARG 42 -6.313 -0.078 -9.519 320 1HG ARG 42 HG2 ARG 42 -4.519 -0.828 -10.887 321 2HG ARG 42 HG1 ARG 42 -3.894 -1.881 -9.618 322 1HD ARG 42 HD2 ARG 42 -5.108 -3.167 -11.358 323 2HD ARG 42 HD1 ARG 42 -5.892 -3.299 -9.783 324 HE ARG 42 HE ARG 42 -7.176 -1.157 -10.980 325 1HH1 ARG 42 HH21 ARG 42 -6.453 -4.423 -11.811 326 2HH1 ARG 42 HH22 ARG 42 -7.869 -4.628 -12.788 327 1HH2 ARG 42 HH11 ARG 42 -9.028 -1.404 -12.251 328 2HH2 ARG 42 HH12 ARG 42 -9.327 -2.918 -13.037 329 H LEU 43 HN LEU 43 -5.519 1.932 -9.896 330 HA LEU 43 HA LEU 43 -3.267 2.121 -11.644 331 1HB LEU 43 HB2 LEU 43 -5.376 4.251 -11.245 332 2HB LEU 43 HB1 LEU 43 -4.444 3.916 -12.703 333 HG LEU 43 HG LEU 43 -6.434 2.002 -11.445 334 1HD1 LEU 43 HD11 LEU 43 -6.625 3.924 -13.771 335 2HD1 LEU 43 HD12 LEU 43 -7.684 3.812 -12.366 336 3HD1 LEU 43 HD13 LEU 43 -7.711 2.546 -13.594 337 1HD2 LEU 43 HD21 LEU 43 -6.146 0.937 -13.788 338 2HD2 LEU 43 HD22 LEU 43 -4.837 0.706 -12.631 339 3HD2 LEU 43 HD23 LEU 43 -4.681 1.913 -13.908 340 H ALA 44 HN ALA 44 -3.846 3.582 -8.563 341 HA ALA 44 HA ALA 44 -1.862 5.761 -9.121 342 1HB ALA 44 HB1 ALA 44 -4.032 6.019 -7.661 343 2HB ALA 44 HB2 ALA 44 -2.527 6.727 -7.074 344 3HB ALA 44 HB3 ALA 44 -3.091 5.188 -6.423 345 H VAL 45 HN VAL 45 -2.110 2.827 -7.122 346 HA VAL 45 HA VAL 45 0.651 3.227 -6.220 347 HB VAL 45 HB VAL 45 -1.284 0.916 -5.900 348 1HG1 VAL 45 HG11 VAL 45 0.414 0.188 -4.142 349 2HG1 VAL 45 HG12 VAL 45 1.536 1.331 -4.879 350 3HG1 VAL 45 HG13 VAL 45 0.919 -0.027 -5.818 351 1HG2 VAL 45 HG21 VAL 45 -1.655 3.177 -4.708 352 2HG2 VAL 45 HG22 VAL 45 -0.205 2.788 -3.784 353 3HG2 VAL 45 HG23 VAL 45 -1.617 1.734 -3.694 354 H GLN 46 HN GLN 46 -1.011 1.641 -8.842 355 HA GLN 46 HA GLN 46 1.273 -0.092 -9.494 356 1HB GLN 46 HB2 GLN 46 -1.127 -0.733 -9.922 357 2HB GLN 46 HB1 GLN 46 -1.188 0.530 -11.150 358 1HG GLN 46 HG2 GLN 46 -0.692 -1.553 -12.267 359 2HG GLN 46 HG1 GLN 46 0.779 -0.582 -12.276 360 1HE2 GLN 46 HE21 GLN 46 -0.761 -3.427 -10.825 361 2HE2 GLN 46 HE22 GLN 46 0.653 -4.051 -10.124 362 H GLN 47 HN GLN 47 0.068 3.089 -10.370 363 HA GLN 47 HA GLN 47 1.739 3.205 -12.775 364 1HB GLN 47 HB2 GLN 47 0.004 5.247 -11.397 365 2HB GLN 47 HB1 GLN 47 0.937 5.594 -12.850 366 1HG GLN 47 HG2 GLN 47 -0.966 3.248 -12.720 367 2HG GLN 47 HG1 GLN 47 -1.509 4.857 -13.195 368 1HE2 GLN 47 HE21 GLN 47 0.298 5.868 -14.879 369 2HE2 GLN 47 HE22 GLN 47 0.653 4.825 -16.171 370 H PHE 48 HN PHE 48 1.525 5.308 -9.901 371 HA PHE 48 HA PHE 48 4.267 6.247 -10.348 372 1HB PHE 48 HB2 PHE 48 2.203 6.891 -8.229 373 2HB PHE 48 HB1 PHE 48 3.788 7.658 -8.329 374 HD1 PHE 48 HD1 PHE 48 0.522 7.234 -10.015 375 HD2 PHE 48 HD2 PHE 48 4.305 9.269 -10.055 376 HE1 PHE 48 HE1 PHE 48 -0.353 8.828 -11.701 377 HE2 PHE 48 HE2 PHE 48 3.430 10.862 -11.742 378 HZ PHE 48 HZ PHE 48 1.101 10.642 -12.565 379 H ASP 49 HN ASP 49 3.054 3.498 -8.870 380 HA ASP 49 HA ASP 49 3.753 2.321 -6.855 381 1HB ASP 49 HB2 ASP 49 6.352 2.601 -8.364 382 2HB ASP 49 HB1 ASP 49 5.801 1.230 -7.401 383 HA PRO 50 HA PRO 50 5.783 6.050 -4.872 384 1HB PRO 50 HB2 PRO 50 4.013 5.518 -2.606 385 2HB PRO 50 HB1 PRO 50 4.114 6.973 -3.605 386 1HG PRO 50 HG2 PRO 50 2.013 5.052 -3.642 387 2HG PRO 50 HG1 PRO 50 2.256 6.362 -4.808 388 1HD PRO 50 HD2 PRO 50 2.695 3.489 -5.178 389 2HD PRO 50 HD1 PRO 50 2.713 4.774 -6.405 390 H THR 51 HN THR 51 7.126 5.989 -2.918 391 HA THR 51 HA THR 51 8.302 3.371 -2.459 392 HB THR 51 HB THR 51 9.794 4.569 -0.918 393 HG1 THR 51 HG1 THR 51 8.163 6.821 -1.461 394 1HG2 THR 51 HG21 THR 51 9.201 6.171 -3.422 395 2HG2 THR 51 HG22 THR 51 10.197 4.717 -3.356 396 3HG2 THR 51 HG23 THR 51 10.718 6.180 -2.521 397 H ALA 52 HN ALA 52 8.592 2.547 -0.138 398 HA ALA 52 HA ALA 52 6.123 1.947 1.043 399 1HB ALA 52 HB1 ALA 52 7.340 1.052 2.877 400 2HB ALA 52 HB2 ALA 52 8.655 2.208 2.669 401 3HB ALA 52 HB3 ALA 52 8.436 0.903 1.502 402 H LYS 53 HN LYS 53 8.039 4.789 1.226 403 HA LYS 53 HA LYS 53 7.350 6.003 3.652 404 1HB LYS 53 HB2 LYS 53 7.471 7.310 0.928 405 2HB LYS 53 HB1 LYS 53 7.655 8.127 2.476 406 1HG LYS 53 HG2 LYS 53 9.629 6.669 2.964 407 2HG LYS 53 HG1 LYS 53 9.490 6.007 1.336 408 1HD LYS 53 HD2 LYS 53 9.945 8.134 0.333 409 2HD LYS 53 HD1 LYS 53 9.765 8.971 1.875 410 1HE LYS 53 HE2 LYS 53 11.748 7.802 2.752 411 2HE LYS 53 HE1 LYS 53 11.927 6.947 1.220 412 1HZ LYS 53 HZ1 LYS 53 13.322 8.700 0.886 413 2HZ LYS 53 HZ2 LYS 53 12.415 9.767 1.848 414 3HZ LYS 53 HZ3 LYS 53 11.887 9.372 0.283 415 H ASP 54 HN ASP 54 5.594 6.569 0.561 416 HA ASP 54 HA ASP 54 3.295 7.885 1.500 417 1HB ASP 54 HB2 ASP 54 3.949 7.120 -0.902 418 2HB ASP 54 HB1 ASP 54 3.138 5.613 -0.475 419 H LEU 55 HN LEU 55 3.706 4.334 1.270 420 HA LEU 55 HA LEU 55 1.266 3.555 2.344 421 1HB LEU 55 HB2 LEU 55 3.889 2.299 3.191 422 2HB LEU 55 HB1 LEU 55 2.311 1.520 3.096 423 HG LEU 55 HG LEU 55 3.910 2.611 0.762 424 1HD1 LEU 55 HD11 LEU 55 4.584 0.389 1.874 425 2HD1 LEU 55 HD12 LEU 55 4.260 0.341 0.141 426 3HD1 LEU 55 HD13 LEU 55 3.047 -0.240 1.280 427 1HD2 LEU 55 HD21 LEU 55 1.103 1.524 0.997 428 2HD2 LEU 55 HD22 LEU 55 2.005 1.351 -0.508 429 3HD2 LEU 55 HD23 LEU 55 1.665 2.955 0.133 430 H GLN 56 HN GLN 56 3.911 5.107 4.036 431 HA GLN 56 HA GLN 56 2.954 4.511 6.700 432 1HB GLN 56 HB2 GLN 56 4.618 6.891 5.832 433 2HB GLN 56 HB1 GLN 56 4.499 6.216 7.455 434 1HG GLN 56 HG2 GLN 56 5.578 4.731 5.046 435 2HG GLN 56 HG1 GLN 56 6.572 5.488 6.289 436 1HE2 GLN 56 HE21 GLN 56 6.348 4.605 8.540 437 2HE2 GLN 56 HE22 GLN 56 5.848 2.997 8.756 438 H ASP 57 HN ASP 57 2.741 7.476 4.689 439 HA ASP 57 HA ASP 57 0.646 8.525 6.516 440 1HB ASP 57 HB2 ASP 57 2.298 10.122 5.789 441 2HB ASP 57 HB1 ASP 57 2.017 9.714 4.094 442 H LEU 58 HN LEU 58 0.686 6.569 3.760 443 HA LEU 58 HA LEU 58 -1.898 7.615 2.714 444 1HB LEU 58 HB2 LEU 58 -0.036 6.777 1.174 445 2HB LEU 58 HB1 LEU 58 -0.358 5.164 1.804 446 HG LEU 58 HG LEU 58 -2.855 5.683 1.144 447 1HD1 LEU 58 HD11 LEU 58 -1.299 7.655 -0.561 448 2HD1 LEU 58 HD12 LEU 58 -2.614 8.023 0.555 449 3HD1 LEU 58 HD13 LEU 58 -2.939 7.122 -0.923 450 1HD2 LEU 58 HD21 LEU 58 -0.654 5.099 -0.859 451 2HD2 LEU 58 HD22 LEU 58 -2.370 4.874 -1.196 452 3HD2 LEU 58 HD23 LEU 58 -1.588 3.925 0.068 453 H LEU 59 HN LEU 59 -0.562 5.047 4.634 454 HA LEU 59 HA LEU 59 -3.202 3.669 4.826 455 1HB LEU 59 HB2 LEU 59 -0.958 2.420 4.589 456 2HB LEU 59 HB1 LEU 59 -0.605 2.976 6.224 457 HG LEU 59 HG LEU 59 -2.978 1.945 6.781 458 1HD1 LEU 59 HD11 LEU 59 -3.621 1.410 4.480 459 2HD1 LEU 59 HD12 LEU 59 -3.418 -0.083 5.393 460 3HD1 LEU 59 HD13 LEU 59 -2.163 0.442 4.271 461 1HD2 LEU 59 HD21 LEU 59 -1.820 -0.317 7.087 462 2HD2 LEU 59 HD22 LEU 59 -1.006 1.067 7.813 463 3HD2 LEU 59 HD23 LEU 59 -0.422 0.401 6.289 464 H GLN 60 HN GLN 60 -1.156 5.880 6.571 465 HA GLN 60 HA GLN 60 -2.695 5.471 9.067 466 1HB GLN 60 HB2 GLN 60 -0.455 7.368 8.319 467 2HB GLN 60 HB1 GLN 60 -1.216 7.325 9.910 468 1HG GLN 60 HG2 GLN 60 -0.519 5.042 10.265 469 2HG GLN 60 HG1 GLN 60 0.051 4.904 8.602 470 1HE2 GLN 60 HE21 GLN 60 1.492 4.825 11.368 471 2HE2 GLN 60 HE22 GLN 60 2.789 5.900 11.162 472 H TYR 61 HN TYR 61 -2.762 7.557 6.273 473 HA TYR 61 HA TYR 61 -4.614 9.451 7.687 474 1HB TYR 61 HB2 TYR 61 -2.547 10.358 6.510 475 2HB TYR 61 HB1 TYR 61 -3.299 9.856 4.995 476 HD1 TYR 61 HD1 TYR 61 -3.515 12.163 7.861 477 HD2 TYR 61 HD2 TYR 61 -5.305 10.952 4.149 478 HE1 TYR 61 HE1 TYR 61 -4.888 14.229 7.849 479 HE2 TYR 61 HE2 TYR 61 -6.678 13.017 4.137 480 HH TYR 61 HH TYR 61 -7.207 14.877 5.214 481 H LEU 62 HN LEU 62 -4.230 7.728 4.565 482 HA LEU 62 HA LEU 62 -6.934 8.326 3.743 483 1HB LEU 62 HB2 LEU 62 -4.793 7.491 2.362 484 2HB LEU 62 HB1 LEU 62 -5.513 5.912 2.658 485 HG LEU 62 HG LEU 62 -7.735 7.081 1.816 486 1HD1 LEU 62 HD11 LEU 62 -6.850 9.355 1.664 487 2HD1 LEU 62 HD12 LEU 62 -7.236 8.774 0.047 488 3HD1 LEU 62 HD13 LEU 62 -5.560 8.811 0.592 489 1HD2 LEU 62 HD21 LEU 62 -5.479 6.368 -0.087 490 2HD2 LEU 62 HD22 LEU 62 -7.196 6.394 -0.488 491 3HD2 LEU 62 HD23 LEU 62 -6.580 5.216 0.671 492 H CYS 63 HN CYS 63 -5.475 5.675 5.547 493 HA CYS 63 HA CYS 63 -8.153 4.347 5.714 494 1HB CYS 63 HB2 CYS 63 -5.559 3.150 6.689 495 2HB CYS 63 HB1 CYS 63 -7.041 2.333 6.203 496 HG CYS 63 HG CYS 63 -4.806 2.927 4.348 497 H SER 64 HN SER 64 -7.000 2.996 8.240 498 HA SER 64 HA SER 64 -6.519 5.167 10.088 499 1HB SER 64 HB2 SER 64 -9.096 3.675 10.587 500 2HB SER 64 HB1 SER 64 -8.534 5.169 11.330 501 HG SER 64 HG SER 64 -9.506 6.177 9.777 502 H SER 65 HN SER 65 -6.593 4.271 12.426 503 HA SER 65 HA SER 65 -4.683 2.373 12.838 504 1HB SER 65 HB2 SER 65 -5.683 1.955 15.064 505 2HB SER 65 HB1 SER 65 -5.667 3.669 14.660 506 HG SER 65 HG SER 65 -7.786 3.659 14.509 507 H LEU 66 HN LEU 66 -8.146 1.408 13.190 508 HA LEU 66 HA LEU 66 -7.718 -1.328 13.326 509 1HB LEU 66 HB2 LEU 66 -9.987 0.318 12.228 510 2HB LEU 66 HB1 LEU 66 -10.062 -1.439 12.162 511 HG LEU 66 HG LEU 66 -11.151 -0.447 14.198 512 1HD1 LEU 66 HD11 LEU 66 -10.528 -2.203 15.559 513 2HD1 LEU 66 HD12 LEU 66 -8.809 -2.010 15.235 514 3HD1 LEU 66 HD13 LEU 66 -9.852 -2.778 14.039 515 1HD2 LEU 66 HD21 LEU 66 -9.813 0.569 15.920 516 2HD2 LEU 66 HD22 LEU 66 -9.446 1.408 14.415 517 3HD2 LEU 66 HD23 LEU 66 -8.320 0.209 15.055 518 H VAL 67 HN VAL 67 -8.967 0.085 10.301 519 HA VAL 67 HA VAL 67 -8.708 -1.900 8.589 520 HB VAL 67 HB VAL 67 -7.566 0.822 7.906 521 1HG1 VAL 67 HG11 VAL 67 -8.380 0.282 5.633 522 2HG1 VAL 67 HG12 VAL 67 -8.883 -1.310 6.199 523 3HG1 VAL 67 HG13 VAL 67 -7.172 -0.884 6.173 524 1HG2 VAL 67 HG21 VAL 67 -9.751 1.054 8.954 525 2HG2 VAL 67 HG22 VAL 67 -10.409 -0.235 7.947 526 3HG2 VAL 67 HG23 VAL 67 -9.933 1.298 7.217 527 H ALA 68 HN ALA 68 -5.886 0.227 9.178 528 HA ALA 68 HA ALA 68 -3.865 -1.186 7.807 529 1HB ALA 68 HB1 ALA 68 -3.660 0.290 10.442 530 2HB ALA 68 HB2 ALA 68 -3.566 1.034 8.847 531 3HB ALA 68 HB3 ALA 68 -2.318 -0.098 9.367 532 H SER 69 HN SER 69 -5.196 -1.708 11.037 533 HA SER 69 HA SER 69 -3.368 -3.518 12.120 534 1HB SER 69 HB2 SER 69 -5.544 -2.555 13.109 535 2HB SER 69 HB1 SER 69 -6.342 -3.934 12.362 536 HG SER 69 HG SER 69 -4.712 -5.231 13.474 537 H LEU 70 HN LEU 70 -6.396 -4.540 10.511 538 HA LEU 70 HA LEU 70 -5.161 -7.167 9.982 539 1HB LEU 70 HB2 LEU 70 -7.962 -6.069 9.598 540 2HB LEU 70 HB1 LEU 70 -7.493 -7.638 8.949 541 HG LEU 70 HG LEU 70 -6.809 -8.334 11.254 542 1HD1 LEU 70 HD11 LEU 70 -7.845 -6.872 13.105 543 2HD1 LEU 70 HD12 LEU 70 -7.917 -5.597 11.891 544 3HD1 LEU 70 HD13 LEU 70 -6.360 -6.281 12.362 545 1HD2 LEU 70 HD21 LEU 70 -9.667 -7.383 10.895 546 2HD2 LEU 70 HD22 LEU 70 -9.143 -8.551 12.107 547 3HD2 LEU 70 HD23 LEU 70 -9.016 -8.943 10.393 548 H HIS 71 HN HIS 71 -5.855 -4.315 8.031 549 HA HIS 71 HA HIS 71 -5.964 -5.486 5.595 550 1HB HIS 71 HB2 HIS 71 -6.020 -3.132 5.559 551 2HB HIS 71 HB1 HIS 71 -4.534 -2.988 6.485 552 HD1 HIS 71 HD1 HIS 71 -2.271 -3.402 5.188 553 HD2 HIS 71 HD2 HIS 71 -5.658 -3.294 2.769 554 HE1 HIS 71 HE1 HIS 71 -1.442 -3.167 2.807 555 H HIS 72 HN HIS 72 -3.073 -4.797 7.533 556 HA HIS 72 HA HIS 72 -1.227 -5.990 5.679 557 1HB HIS 72 HB2 HIS 72 -0.968 -5.111 8.572 558 2HB HIS 72 HB1 HIS 72 0.357 -5.949 7.762 559 HD1 HIS 72 HD1 HIS 72 1.897 -4.512 6.416 560 HD2 HIS 72 HD2 HIS 72 -1.780 -2.656 7.058 561 HE1 HIS 72 HE1 HIS 72 2.096 -2.177 5.456 562 H GLN 73 HN GLN 73 -2.971 -7.164 8.582 563 HA GLN 73 HA GLN 73 -1.736 -9.615 9.044 564 1HB GLN 73 HB2 GLN 73 -4.699 -9.065 8.831 565 2HB GLN 73 HB1 GLN 73 -4.080 -10.653 9.250 566 1HG GLN 73 HG2 GLN 73 -3.197 -8.173 10.735 567 2HG GLN 73 HG1 GLN 73 -4.619 -9.095 11.220 568 1HE2 GLN 73 HE21 GLN 73 -2.057 -8.811 12.723 569 2HE2 GLN 73 HE22 GLN 73 -1.454 -10.387 12.913 570 H GLN 74 HN GLN 74 -3.984 -8.891 6.340 571 HA GLN 74 HA GLN 74 -3.944 -11.320 5.056 572 1HB GLN 74 HB2 GLN 74 -3.624 -8.611 3.705 573 2HB GLN 74 HB1 GLN 74 -4.213 -10.080 2.923 574 1HG GLN 74 HG2 GLN 74 -6.133 -10.168 4.408 575 2HG GLN 74 HG1 GLN 74 -5.515 -8.811 5.349 576 1HE2 GLN 74 HE21 GLN 74 -7.809 -9.471 3.080 577 2HE2 GLN 74 HE22 GLN 74 -7.858 -7.982 2.266 578 H LEU 75 HN LEU 75 -1.822 -8.535 4.090 579 HA LEU 75 HA LEU 75 0.432 -9.601 2.827 580 1HB LEU 75 HB2 LEU 75 -0.233 -7.229 3.878 581 2HB LEU 75 HB1 LEU 75 0.852 -7.779 5.150 582 HG LEU 75 HG LEU 75 1.514 -7.596 2.186 583 1HD1 LEU 75 HD11 LEU 75 1.356 -5.447 3.535 584 2HD1 LEU 75 HD12 LEU 75 2.929 -5.761 2.802 585 3HD1 LEU 75 HD13 LEU 75 2.683 -6.062 4.522 586 1HD2 LEU 75 HD21 LEU 75 3.054 -8.608 4.592 587 2HD2 LEU 75 HD22 LEU 75 3.866 -8.074 3.121 588 3HD2 LEU 75 HD23 LEU 75 2.754 -9.440 3.067 589 H ASP 76 HN ASP 76 0.400 -9.253 6.374 590 HA ASP 76 HA ASP 76 2.569 -10.385 7.358 591 1HB ASP 76 HB2 ASP 76 0.487 -9.975 8.616 592 2HB ASP 76 HB1 ASP 76 -0.065 -11.578 8.156 593 H SER 77 HN SER 77 -0.081 -12.652 6.778 594 HA SER 77 HA SER 77 1.642 -14.940 6.445 595 1HB SER 77 HB2 SER 77 -1.326 -14.466 6.090 596 2HB SER 77 HB1 SER 77 -0.562 -16.042 5.851 597 HG SER 77 HG SER 77 0.381 -15.375 8.091 598 H LEU 78 HN LEU 78 -0.085 -12.721 4.259 599 HA LEU 78 HA LEU 78 -0.168 -14.259 2.022 600 1HB LEU 78 HB2 LEU 78 -0.627 -11.622 2.469 601 2HB LEU 78 HB1 LEU 78 0.838 -11.479 1.507 602 HG LEU 78 HG LEU 78 -1.521 -13.163 0.668 603 1HD1 LEU 78 HD11 LEU 78 -2.226 -11.296 -0.747 604 2HD1 LEU 78 HD12 LEU 78 -0.880 -10.315 -0.170 605 3HD1 LEU 78 HD13 LEU 78 -2.180 -10.761 0.933 606 1HD2 LEU 78 HD21 LEU 78 -0.456 -12.912 -1.563 607 2HD2 LEU 78 HD22 LEU 78 0.626 -13.681 -0.402 608 3HD2 LEU 78 HD23 LEU 78 0.844 -11.982 -0.818 609 H ILE 79 HN ILE 79 2.597 -12.283 3.176 610 HA ILE 79 HA ILE 79 4.503 -13.013 1.220 611 HB ILE 79 HB ILE 79 4.483 -11.399 3.469 612 1HG1 ILE 79 HG12 ILE 79 6.890 -11.009 3.023 613 2HG1 ILE 79 HG11 ILE 79 6.966 -12.495 2.085 614 1HG2 ILE 79 HG21 ILE 79 6.208 -12.197 5.015 615 2HG2 ILE 79 HG22 ILE 79 6.316 -13.727 4.154 616 3HG2 ILE 79 HG23 ILE 79 4.840 -13.297 5.012 617 1HD1 ILE 79 HD11 ILE 79 6.022 -11.531 0.253 618 2HD1 ILE 79 HD12 ILE 79 6.498 -10.015 1.017 619 3HD1 ILE 79 HD13 ILE 79 4.851 -10.614 1.206 620 H SER 80 HN SER 80 3.752 -14.546 4.382 621 HA SER 80 HA SER 80 5.504 -16.691 4.263 622 1HB SER 80 HB2 SER 80 2.600 -17.112 4.980 623 2HB SER 80 HB1 SER 80 4.010 -17.935 5.637 624 HG SER 80 HG SER 80 4.659 -15.749 6.352 625 H GLU 81 HN GLU 81 2.296 -16.573 2.614 626 HA GLU 81 HA GLU 81 2.932 -19.112 1.255 627 1HB GLU 81 HB2 GLU 81 0.578 -17.247 0.861 628 2HB GLU 81 HB1 GLU 81 0.700 -18.923 0.325 629 1HG GLU 81 HG2 GLU 81 0.806 -19.704 2.627 630 2HG GLU 81 HG1 GLU 81 0.843 -18.044 3.223 631 H ALA 82 HN ALA 82 3.068 -15.664 0.516 632 HA ALA 82 HA ALA 82 2.825 -15.917 -2.219 633 1HB ALA 82 HB1 ALA 82 2.916 -13.761 -0.915 634 2HB ALA 82 HB2 ALA 82 3.792 -13.718 -2.445 635 3HB ALA 82 HB3 ALA 82 4.675 -13.893 -0.929 636 H GLU 83 HN GLU 83 5.561 -16.125 -0.064 637 HA GLU 83 HA GLU 83 7.566 -16.524 -2.159 638 1HB GLU 83 HB2 GLU 83 9.193 -16.620 -0.348 639 2HB GLU 83 HB1 GLU 83 8.086 -15.283 -0.046 640 1HG GLU 83 HG2 GLU 83 8.153 -16.326 2.050 641 2HG GLU 83 HG1 GLU 83 6.720 -17.058 1.330 642 H THR 84 HN THR 84 5.671 -18.533 0.046 643 HA THR 84 HA THR 84 7.234 -20.906 -0.114 644 HB THR 84 HB THR 84 4.961 -20.261 1.168 645 HG1 THR 84 HG1 THR 84 5.788 -22.857 0.417 646 1HG2 THR 84 HG21 THR 84 3.106 -21.636 0.385 647 2HG2 THR 84 HG22 THR 84 4.028 -22.133 -1.031 648 3HG2 THR 84 HG23 THR 84 3.521 -20.457 -0.848 649 H ARG 85 HN ARG 85 4.563 -19.671 -2.096 650 HA ARG 85 HA ARG 85 4.132 -21.483 -4.035 651 1HB ARG 85 HB2 ARG 85 3.004 -19.399 -4.129 652 2HB ARG 85 HB1 ARG 85 4.502 -18.496 -4.290 653 1HG ARG 85 HG2 ARG 85 3.702 -20.532 -6.378 654 2HG ARG 85 HG1 ARG 85 3.023 -18.911 -6.418 655 1HD ARG 85 HD2 ARG 85 5.735 -18.361 -6.159 656 2HD ARG 85 HD1 ARG 85 5.748 -19.812 -7.155 657 HE ARG 85 HE ARG 85 3.787 -18.186 -8.293 658 1HH1 ARG 85 HH21 ARG 85 7.127 -17.973 -7.474 659 2HH1 ARG 85 HH22 ARG 85 7.504 -16.861 -8.747 660 1HH2 ARG 85 HH11 ARG 85 4.259 -16.741 -9.960 661 2HH2 ARG 85 HH12 ARG 85 5.881 -16.163 -10.155 662 H GLY 86 HN GLY 86 6.900 -19.184 -4.069 663 1HA GLY 86 HA2 GLY 86 9.067 -20.322 -4.824 664 2HA GLY 86 HA1 GLY 86 8.151 -20.842 -6.238 665 H ILE 87 HN ILE 87 8.492 -17.729 -4.470 666 HA ILE 87 HA ILE 87 8.246 -16.105 -6.835 667 HB ILE 87 HB ILE 87 9.211 -15.711 -4.006 668 1HG1 ILE 87 HG12 ILE 87 7.174 -14.198 -5.663 669 2HG1 ILE 87 HG11 ILE 87 6.791 -15.606 -4.677 670 1HG2 ILE 87 HG21 ILE 87 10.844 -14.369 -5.083 671 2HG2 ILE 87 HG22 ILE 87 9.574 -13.239 -4.626 672 3HG2 ILE 87 HG23 ILE 87 9.696 -13.796 -6.294 673 1HD1 ILE 87 HD11 ILE 87 7.704 -12.878 -3.779 674 2HD1 ILE 87 HD12 ILE 87 7.890 -14.283 -2.731 675 3HD1 ILE 87 HD13 ILE 87 6.285 -13.788 -3.263 676 H THR 88 HN THR 88 10.981 -16.896 -4.853 677 HA THR 88 HA THR 88 12.778 -17.519 -7.041 678 HB THR 88 HB THR 88 13.487 -14.934 -5.635 679 HG1 THR 88 HG1 THR 88 12.324 -15.149 -8.200 680 1HG2 THR 88 HG21 THR 88 14.392 -16.269 -8.200 681 2HG2 THR 88 HG22 THR 88 15.321 -16.127 -6.708 682 3HG2 THR 88 HG23 THR 88 14.936 -14.685 -7.646 683 H SER 89 HN SER 89 12.297 -19.024 -4.828 684 HA SER 89 HA SER 89 13.331 -19.953 -2.889 685 1HB SER 89 HB2 SER 89 15.866 -18.867 -4.134 686 2HB SER 89 HB1 SER 89 15.685 -20.295 -3.117 687 HG SER 89 HG SER 89 14.909 -21.389 -4.775 688 H TYR 90 HN TYR 90 12.664 -16.966 -3.092 689 HA TYR 90 HA TYR 90 12.947 -14.991 -1.949 690 1HB TYR 90 HB2 TYR 90 13.217 -15.350 0.566 691 2HB TYR 90 HB1 TYR 90 11.823 -16.096 -0.222 692 HD1 TYR 90 HD1 TYR 90 11.720 -18.517 -0.575 693 HD2 TYR 90 HD2 TYR 90 15.091 -16.697 1.368 694 HE1 TYR 90 HE1 TYR 90 12.465 -20.745 0.219 695 HE2 TYR 90 HE2 TYR 90 15.836 -18.925 2.162 696 HH TYR 90 HH TYR 90 15.326 -21.087 2.313 697 H ASN 91 HN ASN 91 14.456 -13.459 -1.806 698 HA ASN 91 HA ASN 91 17.240 -14.203 -0.965 699 1HB ASN 91 HB2 ASN 91 16.432 -13.602 -3.643 700 2HB ASN 91 HB1 ASN 91 17.502 -12.318 -3.071 701 1HD2 ASN 91 HD21 ASN 91 17.284 -15.909 -3.276 702 2HD2 ASN 91 HD22 ASN 91 18.960 -16.149 -3.404 703 HA PRO 92 HA PRO 92 16.836 -9.612 -0.043 704 1HB PRO 92 HB2 PRO 92 14.876 -8.057 -1.287 705 2HB PRO 92 HB1 PRO 92 16.487 -8.358 -1.955 706 1HG PRO 92 HG2 PRO 92 13.933 -9.328 -2.963 707 2HG PRO 92 HG1 PRO 92 15.534 -9.536 -3.679 708 1HD PRO 92 HD2 PRO 92 13.966 -11.448 -2.053 709 2HD PRO 92 HD1 PRO 92 15.333 -11.748 -3.112 710 H LEU 93 HN LEU 93 13.601 -11.031 -0.315 711 HA LEU 93 HA LEU 93 12.140 -9.362 1.376 712 1HB LEU 93 HB2 LEU 93 11.926 -12.339 1.747 713 2HB LEU 93 HB1 LEU 93 10.649 -11.122 1.766 714 HG LEU 93 HG LEU 93 11.669 -10.761 -0.783 715 1HD1 LEU 93 HD11 LEU 93 11.662 -13.754 -0.358 716 2HD1 LEU 93 HD12 LEU 93 13.142 -12.790 -0.323 717 3HD1 LEU 93 HD13 LEU 93 12.154 -12.851 -1.791 718 1HD2 LEU 93 HD21 LEU 93 9.364 -12.365 0.307 719 2HD2 LEU 93 HD22 LEU 93 9.709 -12.449 -1.418 720 3HD2 LEU 93 HD23 LEU 93 9.354 -10.892 -0.668 721 H ALA 94 HN ALA 94 13.977 -12.136 2.355 722 HA ALA 94 HA ALA 94 14.327 -12.573 4.867 723 1HB ALA 94 HB1 ALA 94 16.711 -11.131 3.726 724 2HB ALA 94 HB2 ALA 94 16.170 -12.675 3.063 725 3HB ALA 94 HB3 ALA 94 16.672 -12.567 4.754 726 H GLY 95 HN GLY 95 15.435 -9.369 3.772 727 1HA GLY 95 HA2 GLY 95 15.649 -8.229 6.427 728 2HA GLY 95 HA1 GLY 95 15.650 -7.323 4.910 729 HA PRO 96 HA PRO 96 11.692 -6.657 7.089 730 1HB PRO 96 HB2 PRO 96 11.783 -3.786 6.584 731 2HB PRO 96 HB1 PRO 96 11.949 -4.610 8.144 732 1HG PRO 96 HG2 PRO 96 14.044 -3.358 6.576 733 2HG PRO 96 HG1 PRO 96 14.201 -4.153 8.145 734 1HD PRO 96 HD2 PRO 96 15.044 -5.164 5.544 735 2HD PRO 96 HD1 PRO 96 15.275 -5.913 7.132 736 H LEU 97 HN LEU 97 9.583 -5.270 5.819 737 HA LEU 97 HA LEU 97 9.873 -6.087 3.038 738 1HB LEU 97 HB2 LEU 97 7.615 -4.821 4.609 739 2HB LEU 97 HB1 LEU 97 7.499 -5.076 2.871 740 HG LEU 97 HG LEU 97 6.482 -6.922 4.243 741 1HD1 LEU 97 HD11 LEU 97 7.682 -7.167 1.888 742 2HD1 LEU 97 HD12 LEU 97 7.132 -8.588 2.769 743 3HD1 LEU 97 HD13 LEU 97 8.833 -8.133 2.813 744 1HD2 LEU 97 HD21 LEU 97 7.814 -8.339 5.594 745 2HD2 LEU 97 HD22 LEU 97 8.342 -6.711 6.018 746 3HD2 LEU 97 HD23 LEU 97 9.318 -7.701 4.930 747 H ARG 98 HN ARG 98 9.027 -2.969 4.574 748 HA ARG 98 HA ARG 98 9.087 -1.181 2.540 749 1HB ARG 98 HB2 ARG 98 8.841 -0.233 4.649 750 2HB ARG 98 HB1 ARG 98 10.239 -1.077 5.307 751 1HG ARG 98 HG2 ARG 98 11.766 0.413 4.319 752 2HG ARG 98 HG1 ARG 98 10.580 1.016 3.164 753 1HD ARG 98 HD2 ARG 98 11.032 2.640 5.008 754 2HD ARG 98 HD1 ARG 98 9.345 2.128 4.956 755 HE ARG 98 HE ARG 98 10.510 0.350 6.728 756 1HH1 ARG 98 HH21 ARG 98 10.366 3.775 6.361 757 2HH1 ARG 98 HH22 ARG 98 10.456 4.095 8.060 758 1HH2 ARG 98 HH11 ARG 98 10.628 0.749 8.951 759 2HH2 ARG 98 HH12 ARG 98 10.605 2.382 9.527 760 H VAL 99 HN VAL 99 11.739 -3.008 3.723 761 HA VAL 99 HA VAL 99 13.937 -1.566 2.407 762 HB VAL 99 HB VAL 99 13.635 -3.993 4.096 763 1HG1 VAL 99 HG11 VAL 99 14.625 -5.144 2.189 764 2HG1 VAL 99 HG12 VAL 99 15.894 -4.884 3.382 765 3HG1 VAL 99 HG13 VAL 99 15.799 -3.850 1.958 766 1HG2 VAL 99 HG21 VAL 99 15.844 -1.934 3.704 767 2HG2 VAL 99 HG22 VAL 99 15.772 -3.101 5.015 768 3HG2 VAL 99 HG23 VAL 99 14.552 -1.836 4.897 769 H GLN 100 HN GLN 100 12.285 -4.649 1.539 770 HA GLN 100 HA GLN 100 13.826 -5.008 -0.805 771 1HB GLN 100 HB2 GLN 100 10.954 -5.722 -1.134 772 2HB GLN 100 HB1 GLN 100 12.393 -6.715 -1.356 773 1HG GLN 100 HG2 GLN 100 11.150 -5.933 1.266 774 2HG GLN 100 HG1 GLN 100 11.093 -7.521 0.536 775 1HE2 GLN 100 HE21 GLN 100 14.084 -6.635 -0.321 776 2HE2 GLN 100 HE22 GLN 100 14.974 -7.114 1.039 777 H ALA 101 HN ALA 101 10.669 -3.245 -0.583 778 HA ALA 101 HA ALA 101 11.064 -2.405 -3.359 779 1HB ALA 101 HB1 ALA 101 9.013 -1.704 -1.233 780 2HB ALA 101 HB2 ALA 101 8.748 -2.569 -2.743 781 3HB ALA 101 HB3 ALA 101 9.050 -0.833 -2.763 782 H ASN 102 HN ASN 102 11.553 -0.782 -0.233 783 HA ASN 102 HA ASN 102 12.256 1.714 -1.537 784 1HB ASN 102 HB2 ASN 102 11.659 1.470 0.927 785 2HB ASN 102 HB1 ASN 102 13.263 0.769 1.161 786 1HD2 ASN 102 HD21 ASN 102 11.787 3.686 -0.386 787 2HD2 ASN 102 HD22 ASN 102 13.026 4.741 0.096 788 H ASN 103 HN ASN 103 13.478 -0.578 -2.787 789 HA ASN 103 HA ASN 103 16.379 0.008 -2.318 790 1HB ASN 103 HB2 ASN 103 15.704 -2.237 -1.491 791 2HB ASN 103 HB1 ASN 103 15.169 -2.641 -3.122 792 1HD2 ASN 103 HD21 ASN 103 18.081 -0.757 -2.196 793 2HD2 ASN 103 HD22 ASN 103 19.190 -1.844 -2.883 794 HA PRO 104 HA PRO 104 15.506 1.138 -6.731 795 1HB PRO 104 HB2 PRO 104 18.280 2.087 -6.771 796 2HB PRO 104 HB1 PRO 104 16.788 3.013 -6.993 797 1HG PRO 104 HG2 PRO 104 18.463 3.124 -4.722 798 2HG PRO 104 HG1 PRO 104 16.808 3.746 -4.816 799 1HD PRO 104 HD2 PRO 104 17.798 1.362 -3.412 800 2HD PRO 104 HD1 PRO 104 16.216 2.160 -3.260 801 H GLN 105 HN GLN 105 18.069 -0.767 -5.273 802 HA GLN 105 HA GLN 105 19.008 -1.806 -7.841 803 1HB GLN 105 HB2 GLN 105 19.468 -2.896 -5.045 804 2HB GLN 105 HB1 GLN 105 20.385 -3.311 -6.494 805 1HG GLN 105 HG2 GLN 105 21.178 -1.011 -6.699 806 2HG GLN 105 HG1 GLN 105 20.188 -0.521 -5.324 807 1HE2 GLN 105 HE21 GLN 105 20.874 -1.206 -3.173 808 2HE2 GLN 105 HE22 GLN 105 22.428 -1.830 -2.896 809 H GLN 106 HN GLN 106 17.539 -3.536 -5.057 810 HA GLN 106 HA GLN 106 16.491 -5.573 -6.919 811 1HB GLN 106 HB2 GLN 106 16.131 -5.343 -3.915 812 2HB GLN 106 HB1 GLN 106 15.819 -6.768 -4.908 813 1HG GLN 106 HG2 GLN 106 18.524 -5.433 -4.593 814 2HG GLN 106 HG1 GLN 106 18.019 -6.903 -3.758 815 1HE2 GLN 106 HE21 GLN 106 19.102 -5.606 -6.839 816 2HE2 GLN 106 HE22 GLN 106 19.182 -7.094 -7.652 817 H GLN 107 HN GLN 107 14.975 -4.151 -8.051 818 HA GLN 107 HA GLN 107 12.703 -3.074 -6.471 819 1HB GLN 107 HB2 GLN 107 11.955 -2.285 -8.785 820 2HB GLN 107 HB1 GLN 107 13.469 -1.602 -8.191 821 1HG GLN 107 HG2 GLN 107 14.771 -3.118 -9.538 822 2HG GLN 107 HG1 GLN 107 13.334 -4.039 -9.983 823 1HE2 GLN 107 HE21 GLN 107 15.358 -1.471 -10.972 824 2HE2 GLN 107 HE22 GLN 107 14.339 -0.811 -12.159 825 H GLY 108 HN GLY 108 13.481 -6.016 -7.993 826 1HA GLY 108 HA2 GLY 108 11.123 -6.795 -9.305 827 2HA GLY 108 HA1 GLY 108 12.110 -7.909 -8.354 828 H LEU 109 HN LEU 109 11.852 -7.114 -5.850 829 HA LEU 109 HA LEU 109 9.197 -7.939 -5.076 830 1HB LEU 109 HB2 LEU 109 11.508 -6.772 -3.531 831 2HB LEU 109 HB1 LEU 109 9.978 -7.197 -2.765 832 HG LEU 109 HG LEU 109 11.696 -8.995 -2.651 833 1HD1 LEU 109 HD11 LEU 109 9.069 -9.320 -2.848 834 2HD1 LEU 109 HD12 LEU 109 10.157 -10.701 -2.860 835 3HD1 LEU 109 HD13 LEU 109 9.504 -10.095 -4.374 836 1HD2 LEU 109 HD21 LEU 109 12.441 -10.162 -4.573 837 2HD2 LEU 109 HD22 LEU 109 12.587 -8.460 -4.997 838 3HD2 LEU 109 HD23 LEU 109 11.225 -9.407 -5.601 839 H ARG 110 HN ARG 110 9.961 -5.123 -6.488 840 HA ARG 110 HA ARG 110 8.133 -3.460 -4.780 841 1HB ARG 110 HB2 ARG 110 10.314 -2.447 -5.692 842 2HB ARG 110 HB1 ARG 110 9.614 -2.619 -7.300 843 1HG ARG 110 HG2 ARG 110 7.591 -1.310 -6.334 844 2HG ARG 110 HG1 ARG 110 8.696 -0.850 -5.045 845 1HD ARG 110 HD2 ARG 110 10.219 -0.359 -7.314 846 2HD ARG 110 HD1 ARG 110 8.602 0.088 -7.847 847 HE ARG 110 HE ARG 110 10.243 1.693 -6.235 848 1HH1 ARG 110 HH21 ARG 110 7.086 0.301 -6.037 849 2HH1 ARG 110 HH22 ARG 110 6.507 1.475 -4.908 850 1HH2 ARG 110 HH11 ARG 110 9.490 3.226 -4.785 851 2HH2 ARG 110 HH12 ARG 110 7.860 3.130 -4.205 852 H ARG 111 HN ARG 111 8.407 -4.993 -7.917 853 HA ARG 111 HA ARG 111 5.698 -4.050 -8.682 854 1HB ARG 111 HB2 ARG 111 6.075 -5.699 -10.608 855 2HB ARG 111 HB1 ARG 111 7.195 -4.336 -10.555 856 1HG ARG 111 HG2 ARG 111 8.882 -5.706 -9.458 857 2HG ARG 111 HG1 ARG 111 7.759 -7.064 -9.358 858 1HD ARG 111 HD2 ARG 111 8.532 -5.786 -11.978 859 2HD ARG 111 HD1 ARG 111 9.435 -7.131 -11.278 860 HE ARG 111 HE ARG 111 6.810 -8.019 -11.272 861 1HH1 ARG 111 HH21 ARG 111 9.001 -6.698 -13.583 862 2HH1 ARG 111 HH22 ARG 111 8.313 -7.554 -14.923 863 1HH2 ARG 111 HH11 ARG 111 5.898 -9.144 -13.009 864 2HH2 ARG 111 HH12 ARG 111 6.556 -8.938 -14.597 865 H GLU 112 HN GLU 112 7.228 -6.811 -7.199 866 HA GLU 112 HA GLU 112 4.781 -8.424 -7.370 867 1HB GLU 112 HB2 GLU 112 7.180 -9.341 -7.196 868 2HB GLU 112 HB1 GLU 112 7.104 -8.895 -5.491 869 1HG GLU 112 HG2 GLU 112 6.406 -11.179 -5.597 870 2HG GLU 112 HG1 GLU 112 4.933 -10.234 -5.374 871 H TYR 113 HN TYR 113 6.582 -6.803 -4.727 872 HA TYR 113 HA TYR 113 4.689 -7.243 -2.671 873 1HB TYR 113 HB2 TYR 113 6.908 -6.264 -2.226 874 2HB TYR 113 HB1 TYR 113 6.421 -4.788 -3.067 875 HD1 TYR 113 HD1 TYR 113 6.182 -6.713 0.019 876 HD2 TYR 113 HD2 TYR 113 4.596 -3.364 -2.155 877 HE1 TYR 113 HE1 TYR 113 5.169 -5.836 2.106 878 HE2 TYR 113 HE2 TYR 113 3.583 -2.489 -0.069 879 HH TYR 113 HH TYR 113 4.233 -2.826 2.569 880 H GLN 114 HN GLN 114 4.503 -5.102 -5.424 881 HA GLN 114 HA GLN 114 2.399 -3.440 -4.242 882 1HB GLN 114 HB2 GLN 114 3.698 -2.306 -5.863 883 2HB GLN 114 HB1 GLN 114 3.673 -3.672 -6.973 884 1HG GLN 114 HG2 GLN 114 1.081 -2.325 -6.223 885 2HG GLN 114 HG1 GLN 114 2.125 -1.583 -7.435 886 1HE2 GLN 114 HE21 GLN 114 3.041 -3.548 -9.013 887 2HE2 GLN 114 HE22 GLN 114 1.794 -4.506 -9.652 888 H GLN 115 HN GLN 115 2.691 -6.262 -6.328 889 HA GLN 115 HA GLN 115 -0.084 -6.369 -7.107 890 1HB GLN 115 HB2 GLN 115 1.850 -7.556 -8.246 891 2HB GLN 115 HB1 GLN 115 1.855 -8.688 -6.893 892 1HG GLN 115 HG2 GLN 115 0.501 -9.704 -8.565 893 2HG GLN 115 HG1 GLN 115 -0.626 -9.053 -7.377 894 1HE2 GLN 115 HE21 GLN 115 0.947 -8.184 -10.498 895 2HE2 GLN 115 HE22 GLN 115 -0.339 -7.224 -11.050 896 H LEU 116 HN LEU 116 1.767 -7.557 -4.347 897 HA LEU 116 HA LEU 116 -0.522 -9.107 -3.318 898 1HB LEU 116 HB2 LEU 116 2.044 -8.416 -1.863 899 2HB LEU 116 HB1 LEU 116 0.942 -9.750 -1.531 900 HG LEU 116 HG LEU 116 2.576 -9.428 -4.065 901 1HD1 LEU 116 HD11 LEU 116 2.899 -11.286 -1.691 902 2HD1 LEU 116 HD12 LEU 116 3.987 -9.973 -2.140 903 3HD1 LEU 116 HD13 LEU 116 3.829 -11.385 -3.185 904 1HD2 LEU 116 HD21 LEU 116 1.821 -11.897 -4.293 905 2HD2 LEU 116 HD22 LEU 116 0.631 -10.647 -4.649 906 3HD2 LEU 116 HD23 LEU 116 0.588 -11.488 -3.100 907 H TRP 117 HN TRP 117 0.784 -5.939 -3.165 908 HA TRP 117 HA TRP 117 -0.274 -5.128 -0.607 909 1HB TRP 117 HB2 TRP 117 1.508 -3.864 -1.776 910 2HB TRP 117 HB1 TRP 117 0.376 -3.466 -3.066 911 HD1 TRP 117 HD1 TRP 117 -1.163 -1.433 -2.701 912 HE1 TRP 117 HE1 TRP 117 -1.586 0.192 -0.744 913 HE3 TRP 117 HE3 TRP 117 1.471 -3.788 0.983 914 HZ2 TRP 117 HZ2 TRP 117 -0.896 0.456 2.022 915 HZ3 TRP 117 HZ3 TRP 117 1.573 -2.832 3.266 916 HH2 TRP 117 HH2 TRP 117 0.394 -0.715 3.790 917 H LEU 118 HN LEU 118 -1.475 -4.824 -3.982 918 HA LEU 118 HA LEU 118 -3.976 -3.627 -3.108 919 1HB LEU 118 HB2 LEU 118 -3.241 -4.921 -5.747 920 2HB LEU 118 HB1 LEU 118 -4.656 -3.912 -5.452 921 HG LEU 118 HG LEU 118 -1.815 -2.955 -5.004 922 1HD1 LEU 118 HD11 LEU 118 -3.603 -2.673 -7.433 923 2HD1 LEU 118 HD12 LEU 118 -2.046 -3.494 -7.355 924 3HD1 LEU 118 HD13 LEU 118 -2.127 -1.742 -7.176 925 1HD2 LEU 118 HD21 LEU 118 -3.088 -0.701 -5.350 926 2HD2 LEU 118 HD22 LEU 118 -3.284 -1.528 -3.809 927 3HD2 LEU 118 HD23 LEU 118 -4.544 -1.643 -5.035 928 H ALA 119 HN ALA 119 -2.751 -6.875 -3.545 929 HA ALA 119 HA ALA 119 -5.365 -8.150 -3.651 930 1HB ALA 119 HB1 ALA 119 -2.759 -9.296 -2.575 931 2HB ALA 119 HB2 ALA 119 -3.204 -9.312 -4.281 932 3HB ALA 119 HB3 ALA 119 -4.168 -10.211 -3.110 933 H ALA 120 HN ALA 120 -3.490 -6.622 -1.223 934 HA ALA 120 HA ALA 120 -5.191 -7.770 0.958 935 1HB ALA 120 HB1 ALA 120 -2.884 -7.690 1.619 936 2HB ALA 120 HB2 ALA 120 -3.670 -6.323 2.418 937 3HB ALA 120 HB3 ALA 120 -2.688 -6.059 0.974 938 H PHE 121 HN PHE 121 -5.134 -5.275 -1.282 939 HA PHE 121 HA PHE 121 -6.682 -3.431 0.503 940 1HB PHE 121 HB2 PHE 121 -4.526 -2.744 -1.008 941 2HB PHE 121 HB1 PHE 121 -5.798 -2.521 -2.205 942 HD1 PHE 121 HD1 PHE 121 -7.560 -0.841 -1.881 943 HD2 PHE 121 HD2 PHE 121 -4.405 -1.351 0.988 944 HE1 PHE 121 HE1 PHE 121 -8.154 1.330 -0.840 945 HE2 PHE 121 HE2 PHE 121 -4.999 0.820 2.028 946 HZ PHE 121 HZ PHE 121 -6.874 2.161 1.113 947 H ALA 122 HN ALA 122 -6.974 -5.675 -2.028 948 HA ALA 122 HA ALA 122 -9.672 -4.571 -2.783 949 1HB ALA 122 HB1 ALA 122 -9.019 -6.876 -4.355 950 2HB ALA 122 HB2 ALA 122 -7.571 -5.879 -4.301 951 3HB ALA 122 HB3 ALA 122 -9.083 -5.201 -4.898 952 H ALA 123 HN ALA 123 -8.084 -6.996 -0.973 953 HA ALA 123 HA ALA 123 -10.574 -8.624 -0.822 954 1HB ALA 123 HB1 ALA 123 -9.231 -10.220 0.424 955 2HB ALA 123 HB2 ALA 123 -7.908 -9.062 0.566 956 3HB ALA 123 HB3 ALA 123 -8.318 -9.743 -1.008 957 H LEU 124 HN LEU 124 -9.446 -5.848 0.374 958 HA LEU 124 HA LEU 124 -9.335 -5.930 3.079 959 1HB LEU 124 HB2 LEU 124 -10.064 -3.938 1.085 960 2HB LEU 124 HB1 LEU 124 -10.790 -3.588 2.646 961 HG LEU 124 HG LEU 124 -7.846 -4.210 2.341 962 1HD1 LEU 124 HD11 LEU 124 -9.027 -1.426 2.446 963 2HD1 LEU 124 HD12 LEU 124 -8.599 -2.206 0.927 964 3HD1 LEU 124 HD13 LEU 124 -7.355 -1.872 2.125 965 1HD2 LEU 124 HD21 LEU 124 -7.957 -2.542 4.432 966 2HD2 LEU 124 HD22 LEU 124 -8.181 -4.275 4.600 967 3HD2 LEU 124 HD23 LEU 124 -9.584 -3.203 4.547 968 HA PRO 125 HA PRO 125 -14.233 -5.281 3.401 969 1HB PRO 125 HB2 PRO 125 -15.522 -6.203 1.066 970 2HB PRO 125 HB1 PRO 125 -15.361 -4.511 1.584 971 1HG PRO 125 HG2 PRO 125 -13.826 -5.990 -0.501 972 2HG PRO 125 HG1 PRO 125 -14.133 -4.256 -0.351 973 1HD PRO 125 HD2 PRO 125 -11.698 -5.413 0.201 974 2HD PRO 125 HD1 PRO 125 -12.264 -3.896 0.925 975 H GLY 126 HN GLY 126 -13.507 -7.841 1.049 976 1HA GLY 126 HA2 GLY 126 -14.787 -9.783 2.862 977 2HA GLY 126 HA1 GLY 126 -14.279 -10.095 1.204 978 H SER 127 HN SER 127 -12.757 -9.078 4.254 979 HA SER 127 HA SER 127 -11.500 -11.302 5.056 980 1HB SER 127 HB2 SER 127 -10.122 -10.408 2.586 981 2HB SER 127 HB1 SER 127 -9.074 -10.962 3.882 982 HG SER 127 HG SER 127 -10.035 -12.918 3.826 983 H ALA 128 HN ALA 128 -11.369 -7.921 4.936 984 HA ALA 128 HA ALA 128 -10.258 -7.694 7.526 985 1HB ALA 128 HB1 ALA 128 -8.297 -7.445 5.233 986 2HB ALA 128 HB2 ALA 128 -8.082 -8.271 6.776 987 3HB ALA 128 HB3 ALA 128 -8.060 -6.512 6.712 988 H LYS 129 HN LYS 129 -11.938 -6.155 7.689 989 HA LYS 129 HA LYS 129 -11.372 -3.454 7.065 990 1HB LYS 129 HB2 LYS 129 -11.708 -4.147 4.720 991 2HB LYS 129 HB1 LYS 129 -13.255 -4.820 5.155 992 1HG LYS 129 HG2 LYS 129 -14.232 -2.689 5.415 993 2HG LYS 129 HG1 LYS 129 -12.675 -1.897 5.594 994 1HD LYS 129 HD2 LYS 129 -13.111 -3.308 3.003 995 2HD LYS 129 HD1 LYS 129 -14.178 -1.929 3.292 996 1HE LYS 129 HE2 LYS 129 -11.219 -1.622 3.787 997 2HE LYS 129 HE1 LYS 129 -11.846 -1.527 2.141 998 1HZ LYS 129 HZ1 LYS 129 -13.572 0.030 3.441 999 2HZ LYS 129 HZ2 LYS 129 -12.163 0.610 2.690 1000 3HZ LYS 129 HZ3 LYS 129 -12.174 0.306 4.362 1001 H ASP 130 HN ASP 130 -13.577 -2.246 7.047 1002 HA ASP 130 HA ASP 130 -15.750 -3.546 8.589 1003 1HB ASP 130 HB2 ASP 130 -14.183 -2.441 10.229 1004 2HB ASP 130 HB1 ASP 130 -14.476 -0.912 9.399 1005 HA PRO 131 HA PRO 131 -17.007 -0.705 5.085 1006 1HB PRO 131 HB2 PRO 131 -18.846 -2.740 4.187 1007 2HB PRO 131 HB1 PRO 131 -17.371 -2.195 3.358 1008 1HG PRO 131 HG2 PRO 131 -17.755 -4.748 4.563 1009 2HG PRO 131 HG1 PRO 131 -16.211 -4.069 4.024 1010 1HD PRO 131 HD2 PRO 131 -17.267 -4.336 6.790 1011 2HD PRO 131 HD1 PRO 131 -15.589 -4.164 6.257 1012 H SER 132 HN SER 132 -18.023 -1.680 7.912 1013 HA SER 132 HA SER 132 -20.841 -0.755 7.697 1014 1HB SER 132 HB2 SER 132 -21.000 -1.321 10.027 1015 2HB SER 132 HB1 SER 132 -20.090 -2.632 9.282 1016 HG SER 132 HG SER 132 -19.353 -1.029 11.257 1017 H TRP 133 HN TRP 133 -18.093 0.583 7.258 1018 HA TRP 133 HA TRP 133 -18.729 3.269 7.869 1019 1HB TRP 133 HB2 TRP 133 -18.477 2.674 10.251 1020 2HB TRP 133 HB1 TRP 133 -16.883 1.998 9.926 1021 HD1 TRP 133 HD1 TRP 133 -18.756 5.362 9.680 1022 HE1 TRP 133 HE1 TRP 133 -17.051 7.262 10.037 1023 HE3 TRP 133 HE3 TRP 133 -14.452 2.634 10.014 1024 HZ2 TRP 133 HZ2 TRP 133 -14.235 7.583 10.415 1025 HZ3 TRP 133 HZ3 TRP 133 -12.274 3.762 10.372 1026 HH2 TRP 133 HH2 TRP 133 -12.160 6.230 10.573 1027 H ALA 134 HN ALA 134 -16.063 0.965 7.904 1028 HA ALA 134 HA ALA 134 -13.835 1.151 7.011 1029 1HB ALA 134 HB1 ALA 134 -14.836 0.104 5.173 1030 2HB ALA 134 HB2 ALA 134 -14.133 1.543 4.433 1031 3HB ALA 134 HB3 ALA 134 -15.854 1.499 4.813 Start of MODEL 2 1 HT1 PRO 1 HT2 PRO 1 7.381 9.986 -0.687 2 HT2 PRO 1 HT1 PRO 1 7.522 11.312 0.365 3 HA PRO 1 HA PRO 1 8.383 8.651 0.754 4 1HB PRO 1 HB2 PRO 1 10.702 10.153 1.611 5 2HB PRO 1 HB1 PRO 1 10.639 8.804 0.468 6 1HG PRO 1 HG2 PRO 1 11.005 11.620 -0.108 7 2HG PRO 1 HG1 PRO 1 11.042 10.255 -1.236 8 1HD PRO 1 HD2 PRO 1 8.991 12.224 -1.004 9 2HD PRO 1 HD1 PRO 1 8.961 10.771 -2.008 10 H VAL 2 HN VAL 2 8.964 8.443 3.117 11 HA VAL 2 HA VAL 2 8.150 10.748 4.792 12 HB VAL 2 HB VAL 2 6.210 8.977 4.159 13 1HG1 VAL 2 HG11 VAL 2 5.933 7.244 5.805 14 2HG1 VAL 2 HG12 VAL 2 7.341 7.796 6.710 15 3HG1 VAL 2 HG13 VAL 2 7.548 7.058 5.122 16 1HG2 VAL 2 HG21 VAL 2 5.243 9.496 6.508 17 2HG2 VAL 2 HG22 VAL 2 5.657 10.857 5.467 18 3HG2 VAL 2 HG23 VAL 2 6.745 10.385 6.772 19 H MET 3 HN MET 3 9.697 10.956 6.315 20 HA MET 3 HA MET 3 11.398 8.574 6.946 21 1HB MET 3 HB2 MET 3 11.854 11.521 7.375 22 2HB MET 3 HB1 MET 3 13.013 10.231 7.696 23 1HG MET 3 HG2 MET 3 12.971 9.559 5.339 24 2HG MET 3 HG1 MET 3 11.742 10.772 4.982 25 1HE MET 3 HE1 MET 3 13.271 11.553 3.042 26 2HE MET 3 HE2 MET 3 14.530 10.401 3.481 27 3HE MET 3 HE3 MET 3 14.947 12.092 3.215 28 H HIS 4 HN HIS 4 11.411 7.736 8.999 29 HA HIS 4 HA HIS 4 10.320 9.321 11.260 30 1HB HIS 4 HB2 HIS 4 8.846 7.422 11.927 31 2HB HIS 4 HB1 HIS 4 8.350 8.176 10.412 32 HD1 HIS 4 HD1 HIS 4 8.734 4.948 11.770 33 HD2 HIS 4 HD2 HIS 4 9.852 6.649 8.132 34 HE1 HIS 4 HE1 HIS 4 9.089 3.026 10.160 35 HA PRO 5 HA PRO 5 14.028 6.645 12.193 36 1HB PRO 5 HB2 PRO 5 15.096 8.849 13.737 37 2HB PRO 5 HB1 PRO 5 15.725 8.178 12.226 38 1HG PRO 5 HG2 PRO 5 14.401 10.714 12.589 39 2HG PRO 5 HG1 PRO 5 14.983 10.012 11.072 40 1HD PRO 5 HD2 PRO 5 12.234 10.275 11.983 41 2HD PRO 5 HD1 PRO 5 12.811 9.668 10.421 42 H HIS 6 HN HIS 6 14.431 5.676 14.271 43 HA HIS 6 HA HIS 6 12.295 5.439 16.055 44 1HB HIS 6 HB2 HIS 6 14.302 3.949 16.008 45 2HB HIS 6 HB1 HIS 6 15.228 5.225 16.798 46 HD1 HIS 6 HD1 HIS 6 11.715 3.914 17.522 47 HD2 HIS 6 HD2 HIS 6 15.374 4.450 19.446 48 HE1 HIS 6 HE1 HIS 6 11.357 3.253 19.940 49 H GLY 7 HN GLY 7 11.405 6.829 17.496 50 1HA GLY 7 HA2 GLY 7 11.128 8.750 18.817 51 2HA GLY 7 HA1 GLY 7 12.783 8.440 19.345 52 H ALA 8 HN ALA 8 10.863 10.053 16.831 53 HA ALA 8 HA ALA 8 12.689 12.286 16.815 54 1HB ALA 8 HB1 ALA 8 13.983 11.860 14.965 55 2HB ALA 8 HB2 ALA 8 12.630 11.169 14.070 56 3HB ALA 8 HB3 ALA 8 13.514 10.183 15.226 57 HA PRO 9 HA PRO 9 9.158 14.163 14.949 58 1HB PRO 9 HB2 PRO 9 10.263 15.759 12.900 59 2HB PRO 9 HB1 PRO 9 10.125 16.213 14.606 60 1HG PRO 9 HG2 PRO 9 12.550 15.628 13.126 61 2HG PRO 9 HG1 PRO 9 12.406 16.106 14.825 62 1HD PRO 9 HD2 PRO 9 12.873 13.428 13.697 63 2HD PRO 9 HD1 PRO 9 13.045 13.970 15.381 64 HA PRO 10 HA PRO 10 8.456 11.655 11.261 65 1HB PRO 10 HB2 PRO 10 5.785 12.489 10.820 66 2HB PRO 10 HB1 PRO 10 6.290 11.091 11.780 67 1HG PRO 10 HG2 PRO 10 5.253 13.690 12.718 68 2HG PRO 10 HG1 PRO 10 5.410 12.168 13.609 69 1HD PRO 10 HD2 PRO 10 7.092 14.471 13.863 70 2HD PRO 10 HD1 PRO 10 7.355 12.868 14.588 71 H ASN 11 HN ASN 11 9.312 12.439 9.316 72 HA ASN 11 HA ASN 11 8.508 15.191 8.427 73 1HB ASN 11 HB2 ASN 11 11.005 13.610 7.799 74 2HB ASN 11 HB1 ASN 11 10.633 15.214 7.176 75 1HD2 ASN 11 HD21 ASN 11 11.473 13.413 10.125 76 2HD2 ASN 11 HD22 ASN 11 11.883 14.779 11.046 77 H HIS 12 HN HIS 12 6.874 14.948 7.004 78 HA HIS 12 HA HIS 12 6.972 12.750 4.994 79 1HB HIS 12 HB2 HIS 12 4.764 14.797 5.245 80 2HB HIS 12 HB1 HIS 12 4.674 13.145 4.633 81 HD1 HIS 12 HD1 HIS 12 3.989 11.378 6.276 82 HD2 HIS 12 HD2 HIS 12 5.234 14.871 8.181 83 HE1 HIS 12 HE1 HIS 12 3.535 11.048 8.746 84 H ARG 13 HN ARG 13 6.704 13.362 2.669 85 HA ARG 13 HA ARG 13 7.107 16.194 1.982 86 1HB ARG 13 HB2 ARG 13 9.269 15.748 0.805 87 2HB ARG 13 HB1 ARG 13 9.385 15.606 2.557 88 1HG ARG 13 HG2 ARG 13 8.675 13.063 1.162 89 2HG ARG 13 HG1 ARG 13 10.279 13.680 0.785 90 1HD ARG 13 HD2 ARG 13 9.305 13.418 3.635 91 2HD ARG 13 HD1 ARG 13 10.100 12.084 2.790 92 HE ARG 13 HE ARG 13 11.817 14.234 2.418 93 1HH1 ARG 13 HH21 ARG 13 10.299 12.678 5.093 94 2HH1 ARG 13 HH22 ARG 13 11.582 13.041 6.198 95 1HH2 ARG 13 HH11 ARG 13 13.491 14.726 3.847 96 2HH2 ARG 13 HH12 ARG 13 13.387 14.205 5.495 97 HA PRO 14 HA PRO 14 5.412 13.618 -1.441 98 1HB PRO 14 HB2 PRO 14 2.797 14.642 -1.410 99 2HB PRO 14 HB1 PRO 14 3.281 13.137 -0.612 100 1HG PRO 14 HG2 PRO 14 2.592 15.729 0.624 101 2HG PRO 14 HG1 PRO 14 2.741 14.141 1.392 102 1HD PRO 14 HD2 PRO 14 4.660 16.319 1.456 103 2HD PRO 14 HD1 PRO 14 4.806 14.720 2.214 104 H TRP 15 HN TRP 15 4.816 16.926 -0.537 105 HA TRP 15 HA TRP 15 5.166 18.931 -1.715 106 1HB TRP 15 HB2 TRP 15 7.172 17.637 -2.691 107 2HB TRP 15 HB1 TRP 15 6.137 17.300 -4.075 108 HD1 TRP 15 HD1 TRP 15 5.735 19.159 -5.797 109 HE1 TRP 15 HE1 TRP 15 6.586 21.577 -6.062 110 HE3 TRP 15 HE3 TRP 15 7.908 19.838 -1.224 111 HZ2 TRP 15 HZ2 TRP 15 8.000 23.540 -4.539 112 HZ3 TRP 15 HZ3 TRP 15 8.999 21.991 -0.660 113 HH2 TRP 15 HH2 TRP 15 9.048 23.840 -2.310 114 H GLN 16 HN GLN 16 3.058 16.543 -2.394 115 HA GLN 16 HA GLN 16 1.194 18.285 -3.742 116 1HB GLN 16 HB2 GLN 16 2.834 17.589 -5.605 117 2HB GLN 16 HB1 GLN 16 2.161 15.968 -5.434 118 1HG GLN 16 HG2 GLN 16 -0.071 16.790 -5.938 119 2HG GLN 16 HG1 GLN 16 0.516 18.453 -5.986 120 1HE2 GLN 16 HE21 GLN 16 0.085 18.828 -8.241 121 2HE2 GLN 16 HE22 GLN 16 0.896 17.993 -9.477 122 H MET 17 HN MET 17 0.654 17.004 -1.467 123 HA MET 17 HA MET 17 -0.101 14.280 -1.835 124 1HB MET 17 HB2 MET 17 -1.526 14.900 0.388 125 2HB MET 17 HB1 MET 17 0.223 14.684 0.427 126 1HG MET 17 HG2 MET 17 -0.654 16.810 1.531 127 2HG MET 17 HG1 MET 17 0.618 17.038 0.332 128 1HE MET 17 HE1 MET 17 0.095 19.508 0.099 129 2HE MET 17 HE2 MET 17 -1.172 19.377 1.317 130 3HE MET 17 HE3 MET 17 -1.506 20.197 -0.206 131 H LYS 18 HN LYS 18 -1.447 17.082 -2.987 132 HA LYS 18 HA LYS 18 -4.256 16.715 -2.611 133 1HB LYS 18 HB2 LYS 18 -4.461 18.130 -4.692 134 2HB LYS 18 HB1 LYS 18 -3.451 18.836 -3.431 135 1HG LYS 18 HG2 LYS 18 -1.431 18.113 -4.552 136 2HG LYS 18 HG1 LYS 18 -2.362 17.211 -5.746 137 1HD LYS 18 HD2 LYS 18 -2.986 20.135 -5.474 138 2HD LYS 18 HD1 LYS 18 -1.447 19.717 -6.219 139 1HE LYS 18 HE2 LYS 18 -3.180 19.932 -7.938 140 2HE LYS 18 HE1 LYS 18 -2.637 18.258 -7.835 141 1HZ LYS 18 HZ1 LYS 18 -5.009 19.284 -6.386 142 2HZ LYS 18 HZ2 LYS 18 -4.548 17.664 -6.608 143 3HZ LYS 18 HZ3 LYS 18 -5.099 18.583 -7.927 144 H ASP 19 HN ASP 19 -2.133 14.658 -4.067 145 HA ASP 19 HA ASP 19 -4.084 13.774 -6.151 146 1HB ASP 19 HB2 ASP 19 -1.709 13.915 -6.881 147 2HB ASP 19 HB1 ASP 19 -1.252 12.796 -5.596 148 H LEU 20 HN LEU 20 -2.684 12.766 -3.061 149 HA LEU 20 HA LEU 20 -3.948 10.142 -3.227 150 1HB LEU 20 HB2 LEU 20 -3.266 9.778 -0.997 151 2HB LEU 20 HB1 LEU 20 -1.981 10.760 -1.694 152 HG LEU 20 HG LEU 20 -3.636 12.734 -0.719 153 1HD1 LEU 20 HD11 LEU 20 -3.719 10.586 1.405 154 2HD1 LEU 20 HD12 LEU 20 -5.066 10.858 0.302 155 3HD1 LEU 20 HD13 LEU 20 -4.550 12.141 1.395 156 1HD2 LEU 20 HD21 LEU 20 -2.076 12.790 1.260 157 2HD2 LEU 20 HD22 LEU 20 -1.253 12.672 -0.296 158 3HD2 LEU 20 HD23 LEU 20 -1.424 11.242 0.721 159 H GLN 21 HN GLN 21 -4.921 13.384 -2.461 160 HA GLN 21 HA GLN 21 -7.313 12.655 -0.984 161 1HB GLN 21 HB2 GLN 21 -6.237 14.921 -0.855 162 2HB GLN 21 HB1 GLN 21 -6.695 15.195 -2.536 163 1HG GLN 21 HG2 GLN 21 -9.069 14.915 -1.948 164 2HG GLN 21 HG1 GLN 21 -8.623 14.615 -0.267 165 1HE2 GLN 21 HE21 GLN 21 -6.758 16.975 -2.067 166 2HE2 GLN 21 HE22 GLN 21 -7.403 18.350 -1.309 167 H ALA 22 HN ALA 22 -6.499 13.508 -4.348 168 HA ALA 22 HA ALA 22 -9.016 13.462 -5.581 169 1HB ALA 22 HB1 ALA 22 -6.920 13.888 -6.788 170 2HB ALA 22 HB2 ALA 22 -7.840 12.606 -7.574 171 3HB ALA 22 HB3 ALA 22 -6.445 12.203 -6.575 172 H ILE 23 HN ILE 23 -7.005 10.827 -4.397 173 HA ILE 23 HA ILE 23 -8.618 8.674 -5.466 174 HB ILE 23 HB ILE 23 -6.349 8.984 -3.544 175 1HG1 ILE 23 HG12 ILE 23 -5.475 7.042 -4.889 176 2HG1 ILE 23 HG11 ILE 23 -6.959 7.087 -5.832 177 1HG2 ILE 23 HG21 ILE 23 -6.642 6.439 -3.027 178 2HG2 ILE 23 HG22 ILE 23 -8.342 6.744 -3.354 179 3HG2 ILE 23 HG23 ILE 23 -7.526 7.617 -2.063 180 1HD1 ILE 23 HD11 ILE 23 -4.894 9.287 -5.587 181 2HD1 ILE 23 HD12 ILE 23 -6.456 9.496 -6.377 182 3HD1 ILE 23 HD13 ILE 23 -5.287 8.355 -7.030 183 H LYS 24 HN LYS 24 -8.340 10.098 -2.134 184 HA LYS 24 HA LYS 24 -10.574 8.838 -0.905 185 1HB LYS 24 HB2 LYS 24 -8.845 10.539 0.043 186 2HB LYS 24 HB1 LYS 24 -9.917 11.764 -0.632 187 1HG LYS 24 HG2 LYS 24 -11.814 10.708 0.641 188 2HG LYS 24 HG1 LYS 24 -10.637 9.646 1.415 189 1HD LYS 24 HD2 LYS 24 -9.407 11.685 2.208 190 2HD LYS 24 HD1 LYS 24 -10.720 12.673 1.564 191 1HE LYS 24 HE2 LYS 24 -12.323 11.590 3.042 192 2HE LYS 24 HE1 LYS 24 -11.085 10.474 3.618 193 1HZ LYS 24 HZ1 LYS 24 -11.359 12.261 5.180 194 2HZ LYS 24 HZ2 LYS 24 -11.102 13.423 3.968 195 3HZ LYS 24 HZ3 LYS 24 -9.835 12.397 4.448 196 H GLN 25 HN GLN 25 -10.639 11.718 -3.060 197 HA GLN 25 HA GLN 25 -13.250 12.351 -2.691 198 1HB GLN 25 HB2 GLN 25 -11.754 12.226 -5.316 199 2HB GLN 25 HB1 GLN 25 -13.325 13.008 -5.144 200 1HG GLN 25 HG2 GLN 25 -12.337 14.408 -3.290 201 2HG GLN 25 HG1 GLN 25 -10.762 13.727 -3.696 202 1HE2 GLN 25 HE21 GLN 25 -11.302 13.641 -6.613 203 2HE2 GLN 25 HE22 GLN 25 -11.263 15.250 -7.150 204 H GLU 26 HN GLU 26 -11.872 9.751 -4.604 205 HA GLU 26 HA GLU 26 -14.397 8.761 -5.698 206 1HB GLU 26 HB2 GLU 26 -11.629 7.544 -5.748 207 2HB GLU 26 HB1 GLU 26 -13.005 7.016 -6.716 208 1HG GLU 26 HG2 GLU 26 -11.937 9.847 -6.799 209 2HG GLU 26 HG1 GLU 26 -11.380 8.582 -7.895 210 H VAL 27 HN VAL 27 -12.596 8.014 -2.734 211 HA VAL 27 HA VAL 27 -13.491 5.314 -2.587 212 HB VAL 27 HB VAL 27 -12.918 5.265 -0.309 213 1HG1 VAL 27 HG11 VAL 27 -11.145 6.971 -2.047 214 2HG1 VAL 27 HG12 VAL 27 -10.970 5.286 -1.587 215 3HG1 VAL 27 HG13 VAL 27 -10.658 6.554 -0.404 216 1HG2 VAL 27 HG21 VAL 27 -12.177 7.681 0.680 217 2HG2 VAL 27 HG22 VAL 27 -13.807 7.043 0.878 218 3HG2 VAL 27 HG23 VAL 27 -13.471 8.207 -0.390 219 H SER 28 HN SER 28 -14.722 8.445 -2.011 220 HA SER 28 HA SER 28 -17.043 7.885 -0.425 221 1HB SER 28 HB2 SER 28 -16.226 10.221 -0.807 222 2HB SER 28 HB1 SER 28 -16.684 10.090 -2.502 223 HG SER 28 HG SER 28 -18.601 9.482 -0.565 224 H GLN 29 HN GLN 29 -16.916 8.853 -3.830 225 HA GLN 29 HA GLN 29 -18.961 8.173 -5.279 226 1HB GLN 29 HB2 GLN 29 -16.589 8.114 -6.109 227 2HB GLN 29 HB1 GLN 29 -16.590 6.389 -5.754 228 1HG GLN 29 HG2 GLN 29 -17.231 6.578 -8.047 229 2HG GLN 29 HG1 GLN 29 -18.717 6.239 -7.159 230 1HE2 GLN 29 HE21 GLN 29 -16.833 8.944 -8.582 231 2HE2 GLN 29 HE22 GLN 29 -18.172 9.964 -8.800 232 H ALA 30 HN ALA 30 -17.093 5.434 -3.914 233 HA ALA 30 HA ALA 30 -19.393 3.574 -4.289 234 1HB ALA 30 HB1 ALA 30 -16.657 2.897 -3.184 235 2HB ALA 30 HB2 ALA 30 -16.977 3.021 -4.916 236 3HB ALA 30 HB3 ALA 30 -17.825 1.815 -3.948 237 H ALA 31 HN ALA 31 -18.692 1.787 -2.244 238 HA ALA 31 HA ALA 31 -20.062 3.037 0.027 239 1HB ALA 31 HB1 ALA 31 -18.976 0.327 0.461 240 2HB ALA 31 HB2 ALA 31 -19.876 0.451 -1.045 241 3HB ALA 31 HB3 ALA 31 -20.659 0.866 0.474 242 HA PRO 32 HA PRO 32 -16.536 3.878 2.547 243 1HB PRO 32 HB2 PRO 32 -16.947 2.073 4.781 244 2HB PRO 32 HB1 PRO 32 -17.337 3.794 4.691 245 1HG PRO 32 HG2 PRO 32 -19.189 1.589 4.690 246 2HG PRO 32 HG1 PRO 32 -19.569 3.310 4.527 247 1HD PRO 32 HD2 PRO 32 -19.615 1.253 2.473 248 2HD PRO 32 HD1 PRO 32 -20.135 2.943 2.335 249 H GLY 33 HN GLY 33 -16.008 2.054 0.549 250 1HA GLY 33 HA2 GLY 33 -13.543 1.050 0.794 251 2HA GLY 33 HA1 GLY 33 -14.441 -0.188 1.678 252 H SER 34 HN SER 34 -15.405 -1.775 0.494 253 HA SER 34 HA SER 34 -16.237 -2.946 -1.339 254 1HB SER 34 HB2 SER 34 -17.364 -0.549 -1.335 255 2HB SER 34 HB1 SER 34 -16.554 -0.430 -2.898 256 HG SER 34 HG SER 34 -18.785 -1.428 -2.684 257 HA PRO 35 HA PRO 35 -12.716 -3.510 -4.123 258 1HB PRO 35 HB2 PRO 35 -14.360 -3.608 -6.549 259 2HB PRO 35 HB1 PRO 35 -13.457 -4.915 -5.767 260 1HG PRO 35 HG2 PRO 35 -16.290 -4.585 -5.765 261 2HG PRO 35 HG1 PRO 35 -15.366 -5.750 -4.806 262 1HD PRO 35 HD2 PRO 35 -16.752 -3.378 -3.876 263 2HD PRO 35 HD1 PRO 35 -15.903 -4.590 -2.905 264 H GLN 36 HN GLN 36 -15.243 -1.300 -5.307 265 HA GLN 36 HA GLN 36 -14.020 0.228 -7.202 266 1HB GLN 36 HB2 GLN 36 -15.568 1.188 -4.796 267 2HB GLN 36 HB1 GLN 36 -15.161 2.230 -6.161 268 1HG GLN 36 HG2 GLN 36 -16.632 -0.399 -6.473 269 2HG GLN 36 HG1 GLN 36 -17.458 1.148 -6.284 270 1HE2 GLN 36 HE21 GLN 36 -15.874 2.853 -7.844 271 2HE2 GLN 36 HE22 GLN 36 -15.899 2.339 -9.461 272 H PHE 37 HN PHE 37 -13.268 0.455 -3.711 273 HA PHE 37 HA PHE 37 -11.749 2.678 -3.600 274 1HB PHE 37 HB2 PHE 37 -12.282 0.917 -1.841 275 2HB PHE 37 HB1 PHE 37 -10.800 0.111 -2.335 276 HD1 PHE 37 HD1 PHE 37 -9.551 3.147 -2.937 277 HD2 PHE 37 HD2 PHE 37 -11.250 1.070 0.428 278 HE1 PHE 37 HE1 PHE 37 -8.276 4.587 -1.401 279 HE2 PHE 37 HE2 PHE 37 -9.971 2.532 1.960 280 HZ PHE 37 HZ PHE 37 -8.481 4.287 1.048 281 H MET 38 HN MET 38 -10.657 -0.617 -4.255 282 HA MET 38 HA MET 38 -7.960 -0.336 -4.949 283 1HB MET 38 HB2 MET 38 -8.705 -2.550 -4.828 284 2HB MET 38 HB1 MET 38 -10.081 -2.248 -5.878 285 1HG MET 38 HG2 MET 38 -7.302 -1.909 -6.982 286 2HG MET 38 HG1 MET 38 -7.979 -3.527 -6.832 287 1HE MET 38 HE1 MET 38 -10.681 -3.885 -9.296 288 2HE MET 38 HE2 MET 38 -10.655 -3.887 -7.535 289 3HE MET 38 HE3 MET 38 -9.324 -4.617 -8.428 290 H GLN 39 HN GLN 39 -10.793 0.123 -6.999 291 HA GLN 39 HA GLN 39 -9.652 0.393 -9.496 292 1HB GLN 39 HB2 GLN 39 -12.107 0.705 -8.690 293 2HB GLN 39 HB1 GLN 39 -11.685 2.412 -8.557 294 1HG GLN 39 HG2 GLN 39 -11.377 0.721 -11.060 295 2HG GLN 39 HG1 GLN 39 -12.665 1.891 -10.773 296 1HE2 GLN 39 HE21 GLN 39 -11.972 4.214 -10.517 297 2HE2 GLN 39 HE22 GLN 39 -10.543 4.735 -11.269 298 H THR 40 HN THR 40 -10.059 3.071 -7.148 299 HA THR 40 HA THR 40 -8.249 4.804 -8.762 300 HB THR 40 HB THR 40 -10.314 5.538 -7.376 301 HG1 THR 40 HG1 THR 40 -9.137 7.486 -6.743 302 1HG2 THR 40 HG21 THR 40 -9.778 4.406 -5.303 303 2HG2 THR 40 HG22 THR 40 -9.830 6.142 -5.040 304 3HG2 THR 40 HG23 THR 40 -8.282 5.317 -5.155 305 H ILE 41 HN ILE 41 -7.942 2.916 -5.828 306 HA ILE 41 HA ILE 41 -5.202 3.940 -5.412 307 HB ILE 41 HB ILE 41 -6.579 1.437 -4.410 308 1HG1 ILE 41 HG12 ILE 41 -7.235 3.882 -3.642 309 2HG1 ILE 41 HG11 ILE 41 -7.130 2.572 -2.473 310 1HG2 ILE 41 HG21 ILE 41 -4.274 0.914 -4.425 311 2HG2 ILE 41 HG22 ILE 41 -4.629 1.398 -2.767 312 3HG2 ILE 41 HG23 ILE 41 -3.831 2.526 -3.862 313 1HD1 ILE 41 HD11 ILE 41 -4.829 4.460 -3.083 314 2HD1 ILE 41 HD12 ILE 41 -4.907 3.269 -1.783 315 3HD1 ILE 41 HD13 ILE 41 -5.951 4.683 -1.741 316 H ARG 42 HN ARG 42 -6.682 1.843 -7.617 317 HA ARG 42 HA ARG 42 -4.410 0.137 -8.137 318 1HB ARG 42 HB2 ARG 42 -6.721 -0.340 -9.013 319 2HB ARG 42 HB1 ARG 42 -6.518 1.019 -10.116 320 1HG ARG 42 HG2 ARG 42 -4.461 -0.121 -11.018 321 2HG ARG 42 HG1 ARG 42 -4.851 -1.511 -10.006 322 1HD ARG 42 HD2 ARG 42 -6.761 -0.341 -12.043 323 2HD ARG 42 HD1 ARG 42 -5.675 -1.687 -12.386 324 HE ARG 42 HE ARG 42 -7.031 -2.493 -10.107 325 1HH1 ARG 42 HH21 ARG 42 -7.863 -1.320 -13.240 326 2HH1 ARG 42 HH22 ARG 42 -9.351 -2.202 -13.322 327 1HH2 ARG 42 HH11 ARG 42 -8.970 -3.653 -10.196 328 2HH2 ARG 42 HH12 ARG 42 -9.979 -3.523 -11.598 329 H LEU 43 HN LEU 43 -5.716 3.009 -9.811 330 HA LEU 43 HA LEU 43 -3.374 3.301 -11.478 331 1HB LEU 43 HB2 LEU 43 -5.454 5.404 -10.841 332 2HB LEU 43 HB1 LEU 43 -4.412 5.333 -12.260 333 HG LEU 43 HG LEU 43 -6.469 3.219 -11.554 334 1HD1 LEU 43 HD11 LEU 43 -7.815 4.206 -13.368 335 2HD1 LEU 43 HD12 LEU 43 -6.606 5.473 -13.580 336 3HD1 LEU 43 HD13 LEU 43 -7.536 5.382 -12.084 337 1HD2 LEU 43 HD21 LEU 43 -6.086 2.723 -14.069 338 2HD2 LEU 43 HD22 LEU 43 -4.823 2.225 -12.946 339 3HD2 LEU 43 HD23 LEU 43 -4.622 3.693 -13.903 340 H ALA 44 HN ALA 44 -3.972 4.242 -8.214 341 HA ALA 44 HA ALA 44 -1.976 6.470 -8.380 342 1HB ALA 44 HB1 ALA 44 -4.155 6.335 -6.836 343 2HB ALA 44 HB2 ALA 44 -2.683 7.102 -6.241 344 3HB ALA 44 HB3 ALA 44 -3.070 5.446 -5.770 345 H VAL 45 HN VAL 45 -2.151 3.299 -6.722 346 HA VAL 45 HA VAL 45 0.649 3.596 -5.942 347 HB VAL 45 HB VAL 45 -1.217 1.205 -5.883 348 1HG1 VAL 45 HG11 VAL 45 1.601 1.613 -4.855 349 2HG1 VAL 45 HG12 VAL 45 1.024 0.356 -5.948 350 3HG1 VAL 45 HG13 VAL 45 0.542 0.339 -4.252 351 1HG2 VAL 45 HG21 VAL 45 -0.180 2.865 -3.575 352 2HG2 VAL 45 HG22 VAL 45 -1.522 1.720 -3.575 353 3HG2 VAL 45 HG23 VAL 45 -1.680 3.264 -4.412 354 H GLN 46 HN GLN 46 -1.093 2.289 -8.689 355 HA GLN 46 HA GLN 46 1.200 0.709 -9.612 356 1HB GLN 46 HB2 GLN 46 -1.233 0.124 -10.045 357 2HB GLN 46 HB1 GLN 46 -1.271 1.477 -11.177 358 1HG GLN 46 HG2 GLN 46 -0.787 -0.497 -12.459 359 2HG GLN 46 HG1 GLN 46 0.710 0.426 -12.348 360 1HE2 GLN 46 HE21 GLN 46 2.407 -1.029 -12.064 361 2HE2 GLN 46 HE22 GLN 46 2.377 -2.368 -11.021 362 H GLN 47 HN GLN 47 -0.021 3.981 -10.071 363 HA GLN 47 HA GLN 47 1.521 4.346 -12.528 364 1HB GLN 47 HB2 GLN 47 -0.114 6.225 -10.847 365 2HB GLN 47 HB1 GLN 47 0.801 6.766 -12.249 366 1HG GLN 47 HG2 GLN 47 -0.419 5.299 -13.721 367 2HG GLN 47 HG1 GLN 47 -1.221 4.509 -12.364 368 1HE2 GLN 47 HE21 GLN 47 -2.617 5.889 -14.541 369 2HE2 GLN 47 HE22 GLN 47 -3.448 7.198 -13.850 370 H PHE 48 HN PHE 48 1.523 6.134 -9.430 371 HA PHE 48 HA PHE 48 4.292 7.015 -9.929 372 1HB PHE 48 HB2 PHE 48 2.207 7.646 -7.839 373 2HB PHE 48 HB1 PHE 48 3.874 8.191 -7.657 374 HD1 PHE 48 HD1 PHE 48 1.170 8.093 -10.265 375 HD2 PHE 48 HD2 PHE 48 4.435 10.288 -8.538 376 HE1 PHE 48 HE1 PHE 48 0.702 9.990 -11.791 377 HE2 PHE 48 HE2 PHE 48 3.966 12.184 -10.065 378 HZ PHE 48 HZ PHE 48 2.101 12.036 -11.691 379 H ASP 49 HN ASP 49 2.972 4.241 -8.604 380 HA ASP 49 HA ASP 49 3.672 2.893 -6.692 381 1HB ASP 49 HB2 ASP 49 6.129 3.137 -8.436 382 2HB ASP 49 HB1 ASP 49 5.734 1.792 -7.366 383 HA PRO 50 HA PRO 50 6.060 6.377 -4.608 384 1HB PRO 50 HB2 PRO 50 4.403 5.771 -2.266 385 2HB PRO 50 HB1 PRO 50 4.549 7.295 -3.153 386 1HG PRO 50 HG2 PRO 50 2.325 5.501 -3.217 387 2HG PRO 50 HG1 PRO 50 2.568 6.919 -4.248 388 1HD PRO 50 HD2 PRO 50 2.745 4.108 -4.990 389 2HD PRO 50 HD1 PRO 50 2.873 5.528 -6.048 390 H THR 51 HN THR 51 7.545 6.071 -2.762 391 HA THR 51 HA THR 51 8.583 3.378 -2.635 392 HB THR 51 HB THR 51 10.204 4.283 -1.057 393 HG1 THR 51 HG1 THR 51 8.533 6.573 -1.015 394 1HG2 THR 51 HG21 THR 51 10.470 4.902 -3.434 395 2HG2 THR 51 HG22 THR 51 11.057 6.180 -2.370 396 3HG2 THR 51 HG23 THR 51 9.490 6.343 -3.162 397 H ALA 52 HN ALA 52 8.919 2.298 -0.392 398 HA ALA 52 HA ALA 52 6.356 1.759 0.699 399 1HB ALA 52 HB1 ALA 52 8.960 1.305 2.177 400 2HB ALA 52 HB2 ALA 52 8.453 0.293 0.824 401 3HB ALA 52 HB3 ALA 52 7.473 0.362 2.288 402 H LYS 53 HN LYS 53 8.685 4.198 1.285 403 HA LYS 53 HA LYS 53 7.939 4.948 3.975 404 1HB LYS 53 HB2 LYS 53 9.147 6.803 1.915 405 2HB LYS 53 HB1 LYS 53 9.372 6.817 3.659 406 1HG LYS 53 HG2 LYS 53 10.516 4.608 3.501 407 2HG LYS 53 HG1 LYS 53 10.367 4.689 1.745 408 1HD LYS 53 HD2 LYS 53 11.742 6.673 1.649 409 2HD LYS 53 HD1 LYS 53 11.752 6.808 3.408 410 1HE LYS 53 HE2 LYS 53 13.852 5.812 2.716 411 2HE LYS 53 HE1 LYS 53 12.886 4.568 3.509 412 1HZ LYS 53 HZ1 LYS 53 13.968 3.944 1.331 413 2HZ LYS 53 HZ2 LYS 53 12.842 4.969 0.578 414 3HZ LYS 53 HZ3 LYS 53 12.308 3.620 1.463 415 H ASP 54 HN ASP 54 7.043 6.236 0.737 416 HA ASP 54 HA ASP 54 5.051 8.055 1.957 417 1HB ASP 54 HB2 ASP 54 6.183 8.781 -0.083 418 2HB ASP 54 HB1 ASP 54 5.670 7.313 -0.917 419 H LEU 55 HN LEU 55 5.268 4.782 1.203 420 HA LEU 55 HA LEU 55 2.467 4.405 0.503 421 1HB LEU 55 HB2 LEU 55 4.319 2.724 0.027 422 2HB LEU 55 HB1 LEU 55 4.366 2.397 1.758 423 HG LEU 55 HG LEU 55 1.789 1.983 1.510 424 1HD1 LEU 55 HD11 LEU 55 1.262 1.002 -0.761 425 2HD1 LEU 55 HD12 LEU 55 2.758 1.718 -1.353 426 3HD1 LEU 55 HD13 LEU 55 1.461 2.751 -0.757 427 1HD2 LEU 55 HD21 LEU 55 3.346 0.205 2.081 428 2HD2 LEU 55 HD22 LEU 55 3.883 0.086 0.405 429 3HD2 LEU 55 HD23 LEU 55 2.243 -0.394 0.841 430 H GLN 56 HN GLN 56 4.383 4.760 3.404 431 HA GLN 56 HA GLN 56 2.236 3.868 5.191 432 1HB GLN 56 HB2 GLN 56 4.942 5.137 5.648 433 2HB GLN 56 HB1 GLN 56 3.823 4.771 6.961 434 1HG GLN 56 HG2 GLN 56 4.746 2.705 4.950 435 2HG GLN 56 HG1 GLN 56 5.549 2.970 6.497 436 1HE2 GLN 56 HE21 GLN 56 3.415 3.347 8.247 437 2HE2 GLN 56 HE22 GLN 56 2.433 1.963 8.278 438 H ASP 57 HN ASP 57 3.422 6.860 3.794 439 HA ASP 57 HA ASP 57 1.833 8.545 5.636 440 1HB ASP 57 HB2 ASP 57 3.938 9.424 4.573 441 2HB ASP 57 HB1 ASP 57 3.166 9.271 2.996 442 H LEU 58 HN LEU 58 1.354 6.934 2.585 443 HA LEU 58 HA LEU 58 -1.206 8.391 2.144 444 1HB LEU 58 HB2 LEU 58 0.421 6.353 0.650 445 2HB LEU 58 HB1 LEU 58 -1.327 6.241 0.452 446 HG LEU 58 HG LEU 58 -1.403 8.608 -0.232 447 1HD1 LEU 58 HD11 LEU 58 0.846 9.687 -0.768 448 2HD1 LEU 58 HD12 LEU 58 1.580 8.425 0.219 449 3HD1 LEU 58 HD13 LEU 58 0.445 9.562 0.944 450 1HD2 LEU 58 HD21 LEU 58 -0.164 8.337 -2.395 451 2HD2 LEU 58 HD22 LEU 58 -1.154 6.937 -1.984 452 3HD2 LEU 58 HD23 LEU 58 0.591 6.886 -1.734 453 H LEU 59 HN LEU 59 0.031 5.789 3.926 454 HA LEU 59 HA LEU 59 -2.675 4.590 4.315 455 1HB LEU 59 HB2 LEU 59 -0.553 3.164 4.078 456 2HB LEU 59 HB1 LEU 59 -0.069 3.802 5.647 457 HG LEU 59 HG LEU 59 -2.441 3.004 6.434 458 1HD1 LEU 59 HD11 LEU 59 -2.034 1.402 3.890 459 2HD1 LEU 59 HD12 LEU 59 -3.419 2.408 4.311 460 3HD1 LEU 59 HD13 LEU 59 -3.122 0.908 5.184 461 1HD2 LEU 59 HD21 LEU 59 -0.268 0.999 5.752 462 2HD2 LEU 59 HD22 LEU 59 -1.527 0.780 6.969 463 3HD2 LEU 59 HD23 LEU 59 -0.298 2.026 7.186 464 H GLN 60 HN GLN 60 -0.040 5.501 6.558 465 HA GLN 60 HA GLN 60 -1.479 5.861 8.888 466 1HB GLN 60 HB2 GLN 60 0.779 7.544 7.795 467 2HB GLN 60 HB1 GLN 60 0.181 7.671 9.448 468 1HG GLN 60 HG2 GLN 60 0.628 5.244 9.772 469 2HG GLN 60 HG1 GLN 60 1.310 5.176 8.146 470 1HE2 GLN 60 HE21 GLN 60 3.028 7.154 7.845 471 2HE2 GLN 60 HE22 GLN 60 4.157 7.275 9.107 472 H TYR 61 HN TYR 61 -1.565 7.930 6.041 473 HA TYR 61 HA TYR 61 -3.034 10.058 7.510 474 1HB TYR 61 HB2 TYR 61 -1.236 10.575 5.789 475 2HB TYR 61 HB1 TYR 61 -2.344 9.956 4.563 476 HD1 TYR 61 HD1 TYR 61 -4.436 11.122 4.041 477 HD2 TYR 61 HD2 TYR 61 -1.694 12.663 6.967 478 HE1 TYR 61 HE1 TYR 61 -5.610 13.306 3.992 479 HE2 TYR 61 HE2 TYR 61 -2.868 14.847 6.918 480 HH TYR 61 HH TYR 61 -4.734 15.914 6.221 481 H LEU 62 HN LEU 62 -3.508 7.915 4.688 482 HA LEU 62 HA LEU 62 -6.323 8.637 4.485 483 1HB LEU 62 HB2 LEU 62 -4.736 7.775 2.607 484 2HB LEU 62 HB1 LEU 62 -5.084 6.175 3.253 485 HG LEU 62 HG LEU 62 -7.543 6.689 3.005 486 1HD1 LEU 62 HD11 LEU 62 -6.388 9.238 1.918 487 2HD1 LEU 62 HD12 LEU 62 -7.877 8.973 2.824 488 3HD1 LEU 62 HD13 LEU 62 -7.812 8.580 1.112 489 1HD2 LEU 62 HD21 LEU 62 -7.509 6.380 0.518 490 2HD2 LEU 62 HD22 LEU 62 -6.385 5.314 1.361 491 3HD2 LEU 62 HD23 LEU 62 -5.785 6.750 0.532 492 H CYS 63 HN CYS 63 -4.515 6.480 6.419 493 HA CYS 63 HA CYS 63 -6.942 4.849 7.038 494 1HB CYS 63 HB2 CYS 63 -5.528 3.123 7.745 495 2HB CYS 63 HB1 CYS 63 -4.643 3.805 6.389 496 HG CYS 63 HG CYS 63 -3.849 4.083 9.374 497 H SER 64 HN SER 64 -5.647 4.174 9.725 498 HA SER 64 HA SER 64 -5.404 6.729 11.113 499 1HB SER 64 HB2 SER 64 -7.734 6.872 10.987 500 2HB SER 64 HB1 SER 64 -7.947 5.139 11.207 501 HG SER 64 HG SER 64 -7.364 7.144 13.083 502 H SER 65 HN SER 65 -6.584 3.439 11.969 503 HA SER 65 HA SER 65 -4.103 2.936 13.472 504 1HB SER 65 HB2 SER 65 -5.316 4.218 15.133 505 2HB SER 65 HB1 SER 65 -6.777 3.274 14.860 506 HG SER 65 HG SER 65 -4.933 2.783 16.606 507 H LEU 66 HN LEU 66 -7.299 1.562 14.174 508 HA LEU 66 HA LEU 66 -6.468 -1.104 13.994 509 1HB LEU 66 HB2 LEU 66 -8.855 -1.698 13.639 510 2HB LEU 66 HB1 LEU 66 -8.634 -0.528 14.933 511 HG LEU 66 HG LEU 66 -8.983 1.164 12.789 512 1HD1 LEU 66 HD11 LEU 66 -9.538 -1.087 11.490 513 2HD1 LEU 66 HD12 LEU 66 -10.510 0.357 11.221 514 3HD1 LEU 66 HD13 LEU 66 -11.102 -0.917 12.285 515 1HD2 LEU 66 HD21 LEU 66 -11.323 1.421 13.606 516 2HD2 LEU 66 HD22 LEU 66 -10.154 1.351 14.925 517 3HD2 LEU 66 HD23 LEU 66 -11.135 -0.063 14.542 518 H VAL 67 HN VAL 67 -8.097 0.747 11.387 519 HA VAL 67 HA VAL 67 -8.169 -0.949 9.336 520 HB VAL 67 HB VAL 67 -6.869 1.774 9.062 521 1HG1 VAL 67 HG11 VAL 67 -7.840 1.723 6.795 522 2HG1 VAL 67 HG12 VAL 67 -8.461 0.100 7.097 523 3HG1 VAL 67 HG13 VAL 67 -6.721 0.380 7.026 524 1HG2 VAL 67 HG21 VAL 67 -8.981 1.898 10.305 525 2HG2 VAL 67 HG22 VAL 67 -9.785 0.937 9.064 526 3HG2 VAL 67 HG23 VAL 67 -9.199 2.556 8.684 527 H ALA 68 HN ALA 68 -5.139 0.629 10.384 528 HA ALA 68 HA ALA 68 -3.335 -0.519 8.506 529 1HB ALA 68 HB1 ALA 68 -1.599 -0.068 10.172 530 2HB ALA 68 HB2 ALA 68 -2.822 0.106 11.431 531 3HB ALA 68 HB3 ALA 68 -2.733 1.282 10.119 532 H SER 69 HN SER 69 -4.653 -1.742 11.559 533 HA SER 69 HA SER 69 -3.143 -4.143 11.889 534 1HB SER 69 HB2 SER 69 -4.867 -3.107 13.430 535 2HB SER 69 HB1 SER 69 -6.094 -3.864 12.429 536 HG SER 69 HG SER 69 -3.969 -5.472 13.167 537 H LEU 70 HN LEU 70 -6.475 -4.007 10.755 538 HA LEU 70 HA LEU 70 -6.990 -6.333 9.558 539 1HB LEU 70 HB2 LEU 70 -7.746 -3.718 8.326 540 2HB LEU 70 HB1 LEU 70 -8.638 -5.240 8.292 541 HG LEU 70 HG LEU 70 -8.129 -3.434 10.677 542 1HD1 LEU 70 HD11 LEU 70 -10.636 -4.480 9.331 543 2HD1 LEU 70 HD12 LEU 70 -10.019 -2.829 9.245 544 3HD1 LEU 70 HD13 LEU 70 -10.608 -3.472 10.778 545 1HD2 LEU 70 HD21 LEU 70 -7.839 -5.616 11.594 546 2HD2 LEU 70 HD22 LEU 70 -9.091 -6.303 10.558 547 3HD2 LEU 70 HD23 LEU 70 -9.534 -5.234 11.888 548 H HIS 71 HN HIS 71 -6.106 -3.564 7.454 549 HA HIS 71 HA HIS 71 -5.979 -5.042 5.253 550 1HB HIS 71 HB2 HIS 71 -4.223 -2.600 5.707 551 2HB HIS 71 HB1 HIS 71 -4.616 -3.245 4.117 552 HD1 HIS 71 HD1 HIS 71 -5.587 -0.570 4.182 553 HD2 HIS 71 HD2 HIS 71 -7.796 -3.554 6.062 554 HE1 HIS 71 HE1 HIS 71 -7.944 0.325 4.416 555 H HIS 72 HN HIS 72 -3.023 -4.033 7.049 556 HA HIS 72 HA HIS 72 -1.333 -5.644 5.418 557 1HB HIS 72 HB2 HIS 72 -0.843 -4.543 8.219 558 2HB HIS 72 HB1 HIS 72 0.405 -5.346 7.267 559 HD1 HIS 72 HD1 HIS 72 1.659 -2.967 7.358 560 HD2 HIS 72 HD2 HIS 72 -1.877 -3.055 5.152 561 HE1 HIS 72 HE1 HIS 72 1.664 -0.885 5.916 562 H GLN 73 HN GLN 73 -3.521 -6.417 7.845 563 HA GLN 73 HA GLN 73 -2.406 -8.744 9.036 564 1HB GLN 73 HB2 GLN 73 -4.811 -7.633 9.324 565 2HB GLN 73 HB1 GLN 73 -5.271 -8.784 8.070 566 1HG GLN 73 HG2 GLN 73 -5.675 -9.857 10.177 567 2HG GLN 73 HG1 GLN 73 -4.224 -10.599 9.502 568 1HE2 GLN 73 HE21 GLN 73 -3.664 -11.142 11.819 569 2HE2 GLN 73 HE22 GLN 73 -2.949 -9.948 12.791 570 H GLN 74 HN GLN 74 -4.447 -8.509 6.100 571 HA GLN 74 HA GLN 74 -4.107 -11.042 5.098 572 1HB GLN 74 HB2 GLN 74 -4.023 -8.460 3.495 573 2HB GLN 74 HB1 GLN 74 -4.331 -10.056 2.809 574 1HG GLN 74 HG2 GLN 74 -6.260 -10.285 4.425 575 2HG GLN 74 HG1 GLN 74 -6.014 -8.593 4.860 576 1HE2 GLN 74 HE21 GLN 74 -7.600 -10.659 2.640 577 2HE2 GLN 74 HE22 GLN 74 -8.049 -9.480 1.505 578 H LEU 75 HN LEU 75 -2.188 -8.233 3.857 579 HA LEU 75 HA LEU 75 0.084 -9.270 2.697 580 1HB LEU 75 HB2 LEU 75 -0.643 -6.829 3.523 581 2HB LEU 75 HB1 LEU 75 0.497 -7.195 4.813 582 HG LEU 75 HG LEU 75 1.082 -7.285 1.827 583 1HD1 LEU 75 HD11 LEU 75 2.569 -5.384 2.345 584 2HD1 LEU 75 HD12 LEU 75 2.048 -5.430 4.029 585 3HD1 LEU 75 HD13 LEU 75 0.897 -5.006 2.762 586 1HD2 LEU 75 HD21 LEU 75 2.399 -8.981 2.903 587 2HD2 LEU 75 HD22 LEU 75 2.748 -7.934 4.277 588 3HD2 LEU 75 HD23 LEU 75 3.461 -7.588 2.701 589 H ASP 76 HN ASP 76 0.059 -8.628 6.208 590 HA ASP 76 HA ASP 76 2.281 -9.600 7.280 591 1HB ASP 76 HB2 ASP 76 0.035 -9.212 8.431 592 2HB ASP 76 HB1 ASP 76 -0.265 -10.926 8.181 593 H SER 77 HN SER 77 -0.264 -12.025 6.800 594 HA SER 77 HA SER 77 1.641 -14.202 6.567 595 1HB SER 77 HB2 SER 77 -1.364 -14.027 6.273 596 2HB SER 77 HB1 SER 77 -0.446 -15.533 6.178 597 HG SER 77 HG SER 77 0.071 -15.367 8.279 598 H LEU 78 HN LEU 78 -0.275 -12.234 4.302 599 HA LEU 78 HA LEU 78 -0.327 -13.962 2.163 600 1HB LEU 78 HB2 LEU 78 -0.959 -11.317 2.462 601 2HB LEU 78 HB1 LEU 78 0.447 -11.169 1.412 602 HG LEU 78 HG LEU 78 -1.837 -13.054 0.839 603 1HD1 LEU 78 HD11 LEU 78 -2.727 -11.358 -0.688 604 2HD1 LEU 78 HD12 LEU 78 -1.422 -10.252 -0.259 605 3HD1 LEU 78 HD13 LEU 78 -2.640 -10.686 0.940 606 1HD2 LEU 78 HD21 LEU 78 0.412 -11.885 -0.827 607 2HD2 LEU 78 HD22 LEU 78 -0.900 -12.863 -1.483 608 3HD2 LEU 78 HD23 LEU 78 0.234 -13.568 -0.331 609 H ILE 79 HN ILE 79 2.311 -11.577 2.893 610 HA ILE 79 HA ILE 79 4.197 -12.432 1.027 611 HB ILE 79 HB ILE 79 4.138 -11.097 3.700 612 1HG1 ILE 79 HG12 ILE 79 4.139 -9.803 1.613 613 2HG1 ILE 79 HG11 ILE 79 5.588 -9.460 2.548 614 1HG2 ILE 79 HG21 ILE 79 6.692 -11.125 3.802 615 2HG2 ILE 79 HG22 ILE 79 6.623 -12.511 2.712 616 3HG2 ILE 79 HG23 ILE 79 5.871 -12.602 4.306 617 1HD1 ILE 79 HD11 ILE 79 6.427 -11.555 0.949 618 2HD1 ILE 79 HD12 ILE 79 6.681 -9.849 0.594 619 3HD1 ILE 79 HD13 ILE 79 5.305 -10.699 -0.105 620 H SER 80 HN SER 80 3.768 -13.580 4.415 621 HA SER 80 HA SER 80 5.620 -15.660 4.371 622 1HB SER 80 HB2 SER 80 4.021 -14.953 6.268 623 2HB SER 80 HB1 SER 80 2.864 -16.064 5.541 624 HG SER 80 HG SER 80 4.151 -17.735 6.017 625 H GLU 81 HN GLU 81 2.178 -15.927 3.309 626 HA GLU 81 HA GLU 81 2.609 -18.618 2.333 627 1HB GLU 81 HB2 GLU 81 0.371 -16.651 1.788 628 2HB GLU 81 HB1 GLU 81 0.337 -18.372 1.404 629 1HG GLU 81 HG2 GLU 81 0.829 -17.339 4.204 630 2HG GLU 81 HG1 GLU 81 -0.785 -17.713 3.597 631 H ALA 82 HN ALA 82 2.873 -15.403 0.839 632 HA ALA 82 HA ALA 82 2.554 -16.458 -1.753 633 1HB ALA 82 HB1 ALA 82 2.139 -14.145 -1.576 634 2HB ALA 82 HB2 ALA 82 3.636 -14.215 -2.509 635 3HB ALA 82 HB3 ALA 82 3.686 -13.836 -0.787 636 H GLU 83 HN GLU 83 5.352 -15.836 0.312 637 HA GLU 83 HA GLU 83 7.333 -16.196 -1.739 638 1HB GLU 83 HB2 GLU 83 7.622 -16.464 1.278 639 2HB GLU 83 HB1 GLU 83 8.963 -16.347 0.139 640 1HG GLU 83 HG2 GLU 83 8.302 -14.119 -0.520 641 2HG GLU 83 HG1 GLU 83 6.806 -14.237 0.407 642 H THR 84 HN THR 84 5.621 -18.282 0.483 643 HA THR 84 HA THR 84 7.213 -20.624 0.228 644 HB THR 84 HB THR 84 4.600 -21.525 0.425 645 HG1 THR 84 HG1 THR 84 4.638 -19.021 1.684 646 1HG2 THR 84 HG21 THR 84 6.457 -21.899 2.060 647 2HG2 THR 84 HG22 THR 84 4.924 -21.507 2.840 648 3HG2 THR 84 HG23 THR 84 6.177 -20.274 2.688 649 H ARG 85 HN ARG 85 4.420 -19.463 -1.690 650 HA ARG 85 HA ARG 85 4.030 -21.423 -3.536 651 1HB ARG 85 HB2 ARG 85 2.760 -19.439 -3.760 652 2HB ARG 85 HB1 ARG 85 4.187 -18.440 -3.961 653 1HG ARG 85 HG2 ARG 85 3.557 -20.630 -5.943 654 2HG ARG 85 HG1 ARG 85 2.762 -19.065 -6.069 655 1HD ARG 85 HD2 ARG 85 5.481 -18.391 -5.785 656 2HD ARG 85 HD1 ARG 85 5.515 -19.813 -6.815 657 HE ARG 85 HE ARG 85 4.849 -17.231 -7.691 658 1HH1 ARG 85 HH21 ARG 85 3.374 -20.354 -7.658 659 2HH1 ARG 85 HH22 ARG 85 2.367 -20.030 -9.026 660 1HH2 ARG 85 HH11 ARG 85 3.551 -16.807 -9.475 661 2HH2 ARG 85 HH12 ARG 85 2.468 -18.028 -10.056 662 H GLY 86 HN GLY 86 6.918 -19.334 -3.408 663 1HA GLY 86 HA2 GLY 86 9.027 -20.232 -4.248 664 2HA GLY 86 HA1 GLY 86 8.144 -21.080 -5.514 665 H ILE 87 HN ILE 87 8.384 -17.680 -4.363 666 HA ILE 87 HA ILE 87 7.894 -16.536 -6.943 667 HB ILE 87 HB ILE 87 9.447 -15.347 -4.609 668 1HG1 ILE 87 HG12 ILE 87 6.482 -15.130 -5.192 669 2HG1 ILE 87 HG11 ILE 87 7.162 -16.278 -4.042 670 1HG2 ILE 87 HG21 ILE 87 7.913 -13.332 -5.862 671 2HG2 ILE 87 HG22 ILE 87 8.590 -14.249 -7.202 672 3HG2 ILE 87 HG23 ILE 87 9.658 -13.538 -5.987 673 1HD1 ILE 87 HD11 ILE 87 7.363 -13.258 -3.934 674 2HD1 ILE 87 HD12 ILE 87 8.242 -14.340 -2.855 675 3HD1 ILE 87 HD13 ILE 87 6.479 -14.299 -2.819 676 H THR 88 HN THR 88 10.248 -14.772 -6.995 677 HA THR 88 HA THR 88 11.934 -16.276 -8.775 678 HB THR 88 HB THR 88 13.484 -14.216 -8.473 679 HG1 THR 88 HG1 THR 88 11.622 -12.606 -7.592 680 1HG2 THR 88 HG21 THR 88 10.613 -13.809 -9.359 681 2HG2 THR 88 HG22 THR 88 11.899 -14.495 -10.352 682 3HG2 THR 88 HG23 THR 88 11.988 -12.812 -9.831 683 H SER 89 HN SER 89 11.990 -17.937 -6.760 684 HA SER 89 HA SER 89 13.242 -18.931 -5.039 685 1HB SER 89 HB2 SER 89 14.716 -19.274 -7.008 686 2HB SER 89 HB1 SER 89 15.486 -17.721 -6.695 687 HG SER 89 HG SER 89 16.766 -18.952 -5.539 688 H TYR 90 HN TYR 90 12.565 -15.955 -4.907 689 HA TYR 90 HA TYR 90 12.966 -14.104 -3.589 690 1HB TYR 90 HB2 TYR 90 13.452 -14.729 -1.167 691 2HB TYR 90 HB1 TYR 90 12.010 -15.430 -1.902 692 HD1 TYR 90 HD1 TYR 90 15.439 -16.099 -0.720 693 HD2 TYR 90 HD2 TYR 90 11.895 -17.799 -2.452 694 HE1 TYR 90 HE1 TYR 90 16.288 -18.376 -0.224 695 HE2 TYR 90 HE2 TYR 90 12.744 -20.076 -1.957 696 HH TYR 90 HH TYR 90 15.954 -20.689 -1.083 697 H ASN 91 HN ASN 91 14.496 -12.601 -3.445 698 HA ASN 91 HA ASN 91 17.337 -13.397 -2.884 699 1HB ASN 91 HB2 ASN 91 17.362 -11.268 -4.808 700 2HB ASN 91 HB1 ASN 91 18.084 -12.860 -4.888 701 1HD2 ASN 91 HD21 ASN 91 16.082 -14.644 -5.124 702 2HD2 ASN 91 HD22 ASN 91 15.076 -14.297 -6.447 703 HA PRO 92 HA PRO 92 16.867 -8.873 -1.476 704 1HB PRO 92 HB2 PRO 92 14.806 -7.301 -2.300 705 2HB PRO 92 HB1 PRO 92 16.207 -7.615 -3.338 706 1HG PRO 92 HG2 PRO 92 13.438 -8.718 -3.551 707 2HG PRO 92 HG1 PRO 92 14.639 -8.456 -4.829 708 1HD PRO 92 HD2 PRO 92 14.024 -10.930 -3.518 709 2HD PRO 92 HD1 PRO 92 15.315 -10.624 -4.667 710 H LEU 93 HN LEU 93 13.638 -10.392 -1.574 711 HA LEU 93 HA LEU 93 12.437 -8.932 0.487 712 1HB LEU 93 HB2 LEU 93 12.150 -11.936 0.544 713 2HB LEU 93 HB1 LEU 93 10.925 -10.694 0.798 714 HG LEU 93 HG LEU 93 11.621 -10.103 -1.776 715 1HD1 LEU 93 HD11 LEU 93 11.773 -13.122 -1.673 716 2HD1 LEU 93 HD12 LEU 93 13.219 -12.113 -1.680 717 3HD1 LEU 93 HD13 LEU 93 12.088 -12.056 -3.040 718 1HD2 LEU 93 HD21 LEU 93 9.334 -10.441 -1.180 719 2HD2 LEU 93 HD22 LEU 93 9.618 -12.118 -0.718 720 3HD2 LEU 93 HD23 LEU 93 9.667 -11.653 -2.417 721 H ALA 94 HN ALA 94 14.348 -11.826 0.805 722 HA ALA 94 HA ALA 94 14.916 -12.637 3.192 723 1HB ALA 94 HB1 ALA 94 16.593 -12.535 1.233 724 2HB ALA 94 HB2 ALA 94 17.248 -12.652 2.869 725 3HB ALA 94 HB3 ALA 94 17.233 -11.098 2.033 726 H GLY 95 HN GLY 95 16.050 -9.337 2.466 727 1HA GLY 95 HA2 GLY 95 16.459 -8.605 5.244 728 2HA GLY 95 HA1 GLY 95 16.387 -7.481 3.880 729 HA PRO 96 HA PRO 96 12.515 -7.095 6.224 730 1HB PRO 96 HB2 PRO 96 12.515 -4.207 6.123 731 2HB PRO 96 HB1 PRO 96 12.892 -5.219 7.526 732 1HG PRO 96 HG2 PRO 96 14.750 -3.693 5.860 733 2HG PRO 96 HG1 PRO 96 15.092 -4.573 7.354 734 1HD PRO 96 HD2 PRO 96 15.763 -5.372 4.642 735 2HD PRO 96 HD1 PRO 96 16.118 -6.238 6.147 736 H LEU 97 HN LEU 97 10.340 -5.788 5.235 737 HA LEU 97 HA LEU 97 10.440 -6.171 2.347 738 1HB LEU 97 HB2 LEU 97 8.216 -4.756 3.840 739 2HB LEU 97 HB1 LEU 97 8.103 -5.731 2.375 740 HG LEU 97 HG LEU 97 8.765 -6.750 5.154 741 1HD1 LEU 97 HD11 LEU 97 6.611 -7.992 4.841 742 2HD1 LEU 97 HD12 LEU 97 6.349 -7.086 3.351 743 3HD1 LEU 97 HD13 LEU 97 6.399 -6.242 4.898 744 1HD2 LEU 97 HD21 LEU 97 8.674 -8.088 2.440 745 2HD2 LEU 97 HD22 LEU 97 8.516 -9.001 3.941 746 3HD2 LEU 97 HD23 LEU 97 9.993 -8.096 3.610 747 H ARG 98 HN ARG 98 9.693 -3.249 4.331 748 HA ARG 98 HA ARG 98 9.595 -1.243 2.510 749 1HB ARG 98 HB2 ARG 98 11.059 -1.355 5.141 750 2HB ARG 98 HB1 ARG 98 11.063 0.128 4.189 751 1HG ARG 98 HG2 ARG 98 8.687 0.319 4.286 752 2HG ARG 98 HG1 ARG 98 8.507 -1.328 4.896 753 1HD ARG 98 HD2 ARG 98 9.653 -0.689 6.981 754 2HD ARG 98 HD1 ARG 98 9.862 0.951 6.370 755 HE ARG 98 HE ARG 98 7.125 0.516 6.214 756 1HH1 ARG 98 HH21 ARG 98 9.576 0.289 8.628 757 2HH1 ARG 98 HH22 ARG 98 8.508 0.671 9.937 758 1HH2 ARG 98 HH11 ARG 98 5.716 1.016 7.910 759 2HH2 ARG 98 HH12 ARG 98 6.323 1.082 9.531 760 H VAL 99 HN VAL 99 12.297 -3.175 3.251 761 HA VAL 99 HA VAL 99 14.369 -1.583 1.849 762 HB VAL 99 HB VAL 99 14.256 -4.106 3.439 763 1HG1 VAL 99 HG11 VAL 99 15.171 -5.129 1.456 764 2HG1 VAL 99 HG12 VAL 99 16.543 -4.792 2.514 765 3HG1 VAL 99 HG13 VAL 99 16.211 -3.739 1.141 766 1HG2 VAL 99 HG21 VAL 99 16.411 -3.195 4.282 767 2HG2 VAL 99 HG22 VAL 99 15.139 -1.976 4.334 768 3HG2 VAL 99 HG23 VAL 99 16.351 -1.933 3.056 769 H GLN 100 HN GLN 100 12.541 -4.572 1.209 770 HA GLN 100 HA GLN 100 13.678 -5.293 -1.192 771 1HB GLN 100 HB2 GLN 100 11.645 -6.279 0.182 772 2HB GLN 100 HB1 GLN 100 10.676 -5.340 -0.953 773 1HG GLN 100 HG2 GLN 100 12.635 -7.541 -1.557 774 2HG GLN 100 HG1 GLN 100 10.918 -7.482 -1.945 775 1HE2 GLN 100 HE21 GLN 100 10.442 -5.217 -3.262 776 2HE2 GLN 100 HE22 GLN 100 11.476 -4.982 -4.588 777 H ALA 101 HN ALA 101 10.807 -3.119 -0.946 778 HA ALA 101 HA ALA 101 11.157 -2.463 -3.782 779 1HB ALA 101 HB1 ALA 101 9.277 -0.681 -3.085 780 2HB ALA 101 HB2 ALA 101 9.175 -1.699 -1.650 781 3HB ALA 101 HB3 ALA 101 8.873 -2.392 -3.243 782 H ASN 102 HN ASN 102 11.962 -0.812 -0.770 783 HA ASN 102 HA ASN 102 12.666 1.651 -2.122 784 1HB ASN 102 HB2 ASN 102 13.687 0.551 0.518 785 2HB ASN 102 HB1 ASN 102 13.900 2.204 -0.054 786 1HD2 ASN 102 HD21 ASN 102 12.492 1.678 2.377 787 2HD2 ASN 102 HD22 ASN 102 10.858 2.077 2.150 788 H ASN 103 HN ASN 103 13.654 -0.549 -3.591 789 HA ASN 103 HA ASN 103 16.615 -0.183 -3.301 790 1HB ASN 103 HB2 ASN 103 15.032 -2.689 -3.853 791 2HB ASN 103 HB1 ASN 103 16.751 -2.553 -4.223 792 1HD2 ASN 103 HD21 ASN 103 16.692 -4.405 -2.460 793 2HD2 ASN 103 HD22 ASN 103 16.868 -3.896 -0.850 794 HA PRO 104 HA PRO 104 15.337 1.274 -7.537 795 1HB PRO 104 HB2 PRO 104 18.100 2.257 -7.694 796 2HB PRO 104 HB1 PRO 104 16.587 3.172 -7.783 797 1HG PRO 104 HG2 PRO 104 18.378 3.194 -5.607 798 2HG PRO 104 HG1 PRO 104 16.705 3.771 -5.567 799 1HD PRO 104 HD2 PRO 104 17.840 1.342 -4.370 800 2HD PRO 104 HD1 PRO 104 16.250 2.081 -4.075 801 H GLN 105 HN GLN 105 17.977 -0.733 -6.406 802 HA GLN 105 HA GLN 105 18.769 -1.543 -9.100 803 1HB GLN 105 HB2 GLN 105 19.352 -2.918 -6.458 804 2HB GLN 105 HB1 GLN 105 20.216 -3.147 -7.979 805 1HG GLN 105 HG2 GLN 105 20.973 -0.823 -7.939 806 2HG GLN 105 HG1 GLN 105 20.042 -0.522 -6.472 807 1HE2 GLN 105 HE21 GLN 105 22.759 -2.505 -7.729 808 2HE2 GLN 105 HE22 GLN 105 23.520 -2.692 -6.223 809 H GLN 106 HN GLN 106 17.228 -3.342 -6.398 810 HA GLN 106 HA GLN 106 16.109 -5.251 -8.393 811 1HB GLN 106 HB2 GLN 106 16.056 -5.328 -5.360 812 2HB GLN 106 HB1 GLN 106 15.557 -6.629 -6.442 813 1HG GLN 106 HG2 GLN 106 17.827 -6.806 -7.334 814 2HG GLN 106 HG1 GLN 106 18.347 -5.444 -6.341 815 1HE2 GLN 106 HE21 GLN 106 18.516 -5.790 -3.999 816 2HE2 GLN 106 HE22 GLN 106 18.564 -7.357 -3.349 817 H GLN 107 HN GLN 107 14.562 -3.630 -9.214 818 HA GLN 107 HA GLN 107 12.409 -2.799 -7.342 819 1HB GLN 107 HB2 GLN 107 11.563 -1.528 -9.315 820 2HB GLN 107 HB1 GLN 107 13.230 -1.118 -8.908 821 1HG GLN 107 HG2 GLN 107 14.024 -2.698 -10.653 822 2HG GLN 107 HG1 GLN 107 12.348 -3.034 -11.087 823 1HE2 GLN 107 HE21 GLN 107 11.848 -0.003 -10.381 824 2HE2 GLN 107 HE22 GLN 107 12.322 0.792 -11.804 825 H GLY 108 HN GLY 108 13.035 -5.470 -9.349 826 1HA GLY 108 HA2 GLY 108 10.596 -6.001 -10.640 827 2HA GLY 108 HA1 GLY 108 11.600 -7.263 -9.923 828 H LEU 109 HN LEU 109 11.454 -7.191 -7.413 829 HA LEU 109 HA LEU 109 8.820 -7.935 -6.595 830 1HB LEU 109 HB2 LEU 109 11.440 -7.432 -5.307 831 2HB LEU 109 HB1 LEU 109 10.043 -7.367 -4.233 832 HG LEU 109 HG LEU 109 11.271 -9.613 -4.546 833 1HD1 LEU 109 HD11 LEU 109 9.225 -9.544 -3.330 834 2HD1 LEU 109 HD12 LEU 109 9.039 -10.848 -4.508 835 3HD1 LEU 109 HD13 LEU 109 8.279 -9.284 -4.794 836 1HD2 LEU 109 HD21 LEU 109 9.488 -10.086 -6.909 837 2HD2 LEU 109 HD22 LEU 109 10.988 -10.882 -6.450 838 3HD2 LEU 109 HD23 LEU 109 11.036 -9.283 -7.178 839 H ARG 110 HN ARG 110 9.701 -4.881 -7.440 840 HA ARG 110 HA ARG 110 8.042 -3.561 -5.311 841 1HB ARG 110 HB2 ARG 110 10.172 -2.402 -6.104 842 2HB ARG 110 HB1 ARG 110 9.419 -2.256 -7.690 843 1HG ARG 110 HG2 ARG 110 7.556 -0.992 -6.723 844 2HG ARG 110 HG1 ARG 110 8.278 -1.135 -5.124 845 1HD ARG 110 HD2 ARG 110 9.360 0.362 -7.518 846 2HD ARG 110 HD1 ARG 110 8.926 1.018 -5.940 847 HE ARG 110 HE ARG 110 10.921 -0.805 -5.354 848 1HH1 ARG 110 HH21 ARG 110 10.526 1.842 -7.529 849 2HH1 ARG 110 HH22 ARG 110 12.203 2.278 -7.513 850 1HH2 ARG 110 HH11 ARG 110 13.113 -0.251 -5.322 851 2HH2 ARG 110 HH12 ARG 110 13.666 1.093 -6.264 852 H ARG 111 HN ARG 111 7.983 -4.504 -8.690 853 HA ARG 111 HA ARG 111 5.284 -3.277 -9.000 854 1HB ARG 111 HB2 ARG 111 6.642 -5.200 -10.918 855 2HB ARG 111 HB1 ARG 111 5.340 -4.068 -11.267 856 1HG ARG 111 HG2 ARG 111 6.981 -2.658 -12.014 857 2HG ARG 111 HG1 ARG 111 7.338 -2.372 -10.314 858 1HD ARG 111 HD2 ARG 111 9.416 -2.971 -11.319 859 2HD ARG 111 HD1 ARG 111 8.884 -4.414 -10.451 860 HE ARG 111 HE ARG 111 7.849 -4.788 -12.980 861 1HH1 ARG 111 HH21 ARG 111 10.937 -3.997 -11.670 862 2HH1 ARG 111 HH22 ARG 111 11.823 -4.797 -12.925 863 1HH2 ARG 111 HH11 ARG 111 8.987 -5.838 -14.626 864 2HH2 ARG 111 HH12 ARG 111 10.719 -5.840 -14.599 865 H GLU 112 HN GLU 112 6.766 -6.332 -8.196 866 HA GLU 112 HA GLU 112 4.241 -7.796 -8.481 867 1HB GLU 112 HB2 GLU 112 6.598 -8.831 -8.626 868 2HB GLU 112 HB1 GLU 112 6.638 -8.688 -6.868 869 1HG GLU 112 HG2 GLU 112 4.461 -9.964 -6.795 870 2HG GLU 112 HG1 GLU 112 4.647 -10.256 -8.525 871 H TYR 113 HN TYR 113 6.200 -6.478 -5.819 872 HA TYR 113 HA TYR 113 4.618 -7.278 -3.641 873 1HB TYR 113 HB2 TYR 113 6.665 -6.074 -3.227 874 2HB TYR 113 HB1 TYR 113 6.079 -4.659 -4.100 875 HD1 TYR 113 HD1 TYR 113 4.407 -3.168 -3.100 876 HD2 TYR 113 HD2 TYR 113 5.860 -6.620 -0.996 877 HE1 TYR 113 HE1 TYR 113 3.441 -2.290 -0.990 878 HE2 TYR 113 HE2 TYR 113 4.893 -5.743 1.112 879 HH TYR 113 HH TYR 113 4.179 -3.675 2.084 880 H GLN 114 HN GLN 114 4.297 -4.045 -5.226 881 HA GLN 114 HA GLN 114 1.885 -3.324 -4.093 882 1HB GLN 114 HB2 GLN 114 1.486 -1.940 -6.108 883 2HB GLN 114 HB1 GLN 114 3.152 -1.825 -5.549 884 1HG GLN 114 HG2 GLN 114 3.405 -2.134 -7.863 885 2HG GLN 114 HG1 GLN 114 3.617 -3.762 -7.225 886 1HE2 GLN 114 HE21 GLN 114 2.890 -4.195 -9.636 887 2HE2 GLN 114 HE22 GLN 114 1.220 -4.364 -9.889 888 H GLN 115 HN GLN 115 2.370 -5.580 -6.781 889 HA GLN 115 HA GLN 115 -0.349 -5.789 -7.603 890 1HB GLN 115 HB2 GLN 115 1.750 -6.816 -8.700 891 2HB GLN 115 HB1 GLN 115 1.560 -8.133 -7.544 892 1HG GLN 115 HG2 GLN 115 -0.748 -8.504 -8.352 893 2HG GLN 115 HG1 GLN 115 -0.536 -7.207 -9.528 894 1HE2 GLN 115 HE21 GLN 115 -0.783 -10.353 -9.699 895 2HE2 GLN 115 HE22 GLN 115 0.459 -10.761 -10.781 896 H LEU 116 HN LEU 116 1.454 -7.497 -5.055 897 HA LEU 116 HA LEU 116 -0.934 -9.020 -4.229 898 1HB LEU 116 HB2 LEU 116 1.661 -8.715 -2.702 899 2HB LEU 116 HB1 LEU 116 0.492 -10.031 -2.601 900 HG LEU 116 HG LEU 116 2.171 -9.370 -5.041 901 1HD1 LEU 116 HD11 LEU 116 3.579 -10.298 -3.311 902 2HD1 LEU 116 HD12 LEU 116 3.249 -11.581 -4.475 903 3HD1 LEU 116 HD13 LEU 116 2.385 -11.542 -2.938 904 1HD2 LEU 116 HD21 LEU 116 1.302 -11.708 -5.701 905 2HD2 LEU 116 HD22 LEU 116 0.150 -10.376 -5.799 906 3HD2 LEU 116 HD23 LEU 116 0.097 -11.488 -4.431 907 H TRP 117 HN TRP 117 0.431 -5.940 -3.619 908 HA TRP 117 HA TRP 117 -0.699 -5.628 -0.949 909 1HB TRP 117 HB2 TRP 117 1.271 -4.297 -2.051 910 2HB TRP 117 HB1 TRP 117 -0.006 -3.343 -2.803 911 HD1 TRP 117 HD1 TRP 117 1.463 -4.218 0.617 912 HE1 TRP 117 HE1 TRP 117 0.660 -2.469 2.333 913 HE3 TRP 117 HE3 TRP 117 -1.860 -1.620 -2.261 914 HZ2 TRP 117 HZ2 TRP 117 -1.154 -0.261 2.467 915 HZ3 TRP 117 HZ3 TRP 117 -3.111 0.299 -1.316 916 HH2 TRP 117 HH2 TRP 117 -2.763 0.981 1.042 917 H LEU 118 HN LEU 118 -1.724 -5.078 -4.288 918 HA LEU 118 HA LEU 118 -4.121 -3.601 -3.488 919 1HB LEU 118 HB2 LEU 118 -3.326 -4.861 -6.132 920 2HB LEU 118 HB1 LEU 118 -4.723 -3.815 -5.890 921 HG LEU 118 HG LEU 118 -1.914 -2.928 -5.185 922 1HD1 LEU 118 HD11 LEU 118 -1.792 -1.824 -7.368 923 2HD1 LEU 118 HD12 LEU 118 -3.375 -2.470 -7.804 924 3HD1 LEU 118 HD13 LEU 118 -2.006 -3.561 -7.588 925 1HD2 LEU 118 HD21 LEU 118 -3.532 -1.479 -4.197 926 2HD2 LEU 118 HD22 LEU 118 -4.571 -1.532 -5.620 927 3HD2 LEU 118 HD23 LEU 118 -3.046 -0.655 -5.675 928 H ALA 119 HN ALA 119 -3.151 -6.914 -4.077 929 HA ALA 119 HA ALA 119 -5.883 -7.954 -4.174 930 1HB ALA 119 HB1 ALA 119 -3.318 -9.402 -3.404 931 2HB ALA 119 HB2 ALA 119 -3.881 -9.219 -5.065 932 3HB ALA 119 HB3 ALA 119 -4.834 -10.148 -3.909 933 H ALA 120 HN ALA 120 -3.783 -6.750 -1.779 934 HA ALA 120 HA ALA 120 -5.365 -8.010 0.438 935 1HB ALA 120 HB1 ALA 120 -2.783 -6.416 0.386 936 2HB ALA 120 HB2 ALA 120 -3.003 -8.091 0.896 937 3HB ALA 120 HB3 ALA 120 -3.658 -6.775 1.877 938 H PHE 121 HN PHE 121 -5.367 -5.379 -1.619 939 HA PHE 121 HA PHE 121 -6.709 -3.628 0.406 940 1HB PHE 121 HB2 PHE 121 -4.542 -2.884 -0.956 941 2HB PHE 121 HB1 PHE 121 -5.723 -2.535 -2.213 942 HD1 PHE 121 HD1 PHE 121 -4.454 -1.600 1.092 943 HD2 PHE 121 HD2 PHE 121 -7.495 -0.850 -1.846 944 HE1 PHE 121 HE1 PHE 121 -5.037 0.520 2.238 945 HE2 PHE 121 HE2 PHE 121 -8.079 1.270 -0.700 946 HZ PHE 121 HZ PHE 121 -6.850 1.955 1.342 947 H ALA 122 HN ALA 122 -7.073 -5.390 -2.547 948 HA ALA 122 HA ALA 122 -9.695 -4.048 -3.150 949 1HB ALA 122 HB1 ALA 122 -8.568 -6.200 -4.913 950 2HB ALA 122 HB2 ALA 122 -7.697 -4.672 -4.887 951 3HB ALA 122 HB3 ALA 122 -9.395 -4.707 -5.371 952 H ALA 123 HN ALA 123 -8.391 -7.134 -2.101 953 HA ALA 123 HA ALA 123 -11.153 -8.255 -2.207 954 1HB ALA 123 HB1 ALA 123 -8.601 -9.472 -1.079 955 2HB ALA 123 HB2 ALA 123 -9.156 -9.713 -2.735 956 3HB ALA 123 HB3 ALA 123 -10.120 -10.313 -1.386 957 H LEU 124 HN LEU 124 -9.911 -5.947 -0.584 958 HA LEU 124 HA LEU 124 -9.655 -6.673 2.030 959 1HB LEU 124 HB2 LEU 124 -9.813 -4.230 0.581 960 2HB LEU 124 HB1 LEU 124 -10.810 -4.026 2.012 961 HG LEU 124 HG LEU 124 -7.973 -5.026 2.065 962 1HD1 LEU 124 HD11 LEU 124 -8.799 -2.325 3.088 963 2HD1 LEU 124 HD12 LEU 124 -8.469 -2.520 1.370 964 3HD1 LEU 124 HD13 LEU 124 -7.211 -2.877 2.555 965 1HD2 LEU 124 HD21 LEU 124 -9.775 -5.538 3.944 966 2HD2 LEU 124 HD22 LEU 124 -9.429 -3.885 4.415 967 3HD2 LEU 124 HD23 LEU 124 -8.133 -5.081 4.366 968 HA PRO 125 HA PRO 125 -14.314 -5.001 2.607 969 1HB PRO 125 HB2 PRO 125 -15.629 -6.135 0.265 970 2HB PRO 125 HB1 PRO 125 -15.718 -4.482 0.909 971 1HG PRO 125 HG2 PRO 125 -14.269 -5.319 -1.406 972 2HG PRO 125 HG1 PRO 125 -14.189 -3.737 -0.623 973 1HD PRO 125 HD2 PRO 125 -12.167 -5.778 -0.675 974 2HD PRO 125 HD1 PRO 125 -12.073 -4.179 0.080 975 H GLY 126 HN GLY 126 -14.183 -7.947 0.625 976 1HA GLY 126 HA2 GLY 126 -15.489 -9.371 2.867 977 2HA GLY 126 HA1 GLY 126 -15.222 -10.019 1.234 978 H SER 127 HN SER 127 -13.437 -8.890 4.099 979 HA SER 127 HA SER 127 -12.241 -11.279 4.691 980 1HB SER 127 HB2 SER 127 -10.694 -9.864 2.559 981 2HB SER 127 HB1 SER 127 -9.775 -10.731 3.778 982 HG SER 127 HG SER 127 -10.846 -12.601 3.217 983 H ALA 128 HN ALA 128 -10.470 -8.206 4.298 984 HA ALA 128 HA ALA 128 -10.155 -8.131 7.298 985 1HB ALA 128 HB1 ALA 128 -8.016 -8.590 6.349 986 2HB ALA 128 HB2 ALA 128 -8.005 -6.864 6.708 987 3HB ALA 128 HB3 ALA 128 -8.255 -7.420 5.049 988 H LYS 129 HN LYS 129 -12.375 -6.853 6.404 989 HA LYS 129 HA LYS 129 -11.645 -3.984 6.577 990 1HB LYS 129 HB2 LYS 129 -11.969 -4.618 4.211 991 2HB LYS 129 HB1 LYS 129 -13.571 -5.218 4.615 992 1HG LYS 129 HG2 LYS 129 -14.446 -3.066 4.960 993 2HG LYS 129 HG1 LYS 129 -12.868 -2.370 5.287 994 1HD LYS 129 HD2 LYS 129 -12.917 -3.363 2.562 995 2HD LYS 129 HD1 LYS 129 -14.358 -2.383 2.824 996 1HE LYS 129 HE2 LYS 129 -12.319 -1.111 2.010 997 2HE LYS 129 HE1 LYS 129 -13.020 -0.495 3.507 998 1HZ LYS 129 HZ1 LYS 129 -11.060 -2.542 3.941 999 2HZ LYS 129 HZ2 LYS 129 -11.193 -1.002 4.644 1000 3HZ LYS 129 HZ3 LYS 129 -10.421 -1.189 3.143 1001 H ASP 130 HN ASP 130 -13.883 -2.831 6.647 1002 HA ASP 130 HA ASP 130 -16.046 -4.230 8.100 1003 1HB ASP 130 HB2 ASP 130 -16.101 -2.414 9.809 1004 2HB ASP 130 HB1 ASP 130 -14.614 -3.356 9.911 1005 HA PRO 131 HA PRO 131 -17.102 -1.046 4.906 1006 1HB PRO 131 HB2 PRO 131 -18.410 -2.738 3.147 1007 2HB PRO 131 HB1 PRO 131 -16.670 -2.424 3.102 1008 1HG PRO 131 HG2 PRO 131 -18.082 -4.879 3.976 1009 2HG PRO 131 HG1 PRO 131 -16.390 -4.678 3.514 1010 1HD PRO 131 HD2 PRO 131 -17.480 -4.849 6.195 1011 2HD PRO 131 HD1 PRO 131 -15.781 -4.655 5.739 1012 H SER 132 HN SER 132 -19.139 -3.795 5.869 1013 HA SER 132 HA SER 132 -21.392 -3.791 6.738 1014 1HB SER 132 HB2 SER 132 -22.292 -1.832 7.561 1015 2HB SER 132 HB1 SER 132 -20.629 -1.272 7.421 1016 HG SER 132 HG SER 132 -21.132 -0.339 5.468 1017 H TRP 133 HN TRP 133 -20.498 -1.773 3.990 1018 HA TRP 133 HA TRP 133 -22.647 -3.132 2.378 1019 1HB TRP 133 HB2 TRP 133 -22.017 -0.169 2.440 1020 2HB TRP 133 HB1 TRP 133 -23.074 -0.939 1.255 1021 HD1 TRP 133 HD1 TRP 133 -24.967 -2.680 2.660 1022 HE1 TRP 133 HE1 TRP 133 -26.523 -1.916 4.569 1023 HE3 TRP 133 HE3 TRP 133 -22.473 1.498 4.212 1024 HZ2 TRP 133 HZ2 TRP 133 -26.688 0.190 6.498 1025 HZ3 TRP 133 HZ3 TRP 133 -23.351 2.862 6.085 1026 HH2 TRP 133 HH2 TRP 133 -25.453 2.214 7.229 1027 H ALA 134 HN ALA 134 -20.610 -4.388 1.683 1028 HA ALA 134 HA ALA 134 -18.619 -2.857 0.200 1029 1HB ALA 134 HB1 ALA 134 -17.632 -5.073 -0.329 1030 2HB ALA 134 HB2 ALA 134 -19.048 -5.861 0.367 1031 3HB ALA 134 HB3 ALA 134 -17.970 -4.918 1.395 Start of MODEL 3 1 HT1 PRO 1 HT2 PRO 1 6.400 9.549 0.153 2 HT2 PRO 1 HT1 PRO 1 6.711 10.873 1.172 3 HA PRO 1 HA PRO 1 7.305 8.196 1.640 4 1HB PRO 1 HB2 PRO 1 9.942 9.217 2.048 5 2HB PRO 1 HB1 PRO 1 9.450 7.968 0.898 6 1HG PRO 1 HG2 PRO 1 10.225 10.717 0.348 7 2HG PRO 1 HG1 PRO 1 9.905 9.409 -0.801 8 1HD PRO 1 HD2 PRO 1 8.222 11.658 -0.224 9 2HD PRO 1 HD1 PRO 1 7.871 10.305 -1.304 10 H VAL 2 HN VAL 2 8.800 8.322 3.836 11 HA VAL 2 HA VAL 2 8.463 10.728 5.431 12 HB VAL 2 HB VAL 2 7.005 9.586 7.165 13 1HG1 VAL 2 HG11 VAL 2 6.173 11.214 5.328 14 2HG1 VAL 2 HG12 VAL 2 4.975 10.248 6.178 15 3HG1 VAL 2 HG13 VAL 2 5.493 9.780 4.561 16 1HG2 VAL 2 HG21 VAL 2 7.279 7.276 6.503 17 2HG2 VAL 2 HG22 VAL 2 6.652 7.621 4.894 18 3HG2 VAL 2 HG23 VAL 2 5.579 7.694 6.288 19 H MET 3 HN MET 3 10.042 10.611 7.088 20 HA MET 3 HA MET 3 10.949 7.916 7.903 21 1HB MET 3 HB2 MET 3 13.071 9.918 7.116 22 2HB MET 3 HB1 MET 3 13.206 8.165 7.254 23 1HG MET 3 HG2 MET 3 11.736 7.912 5.267 24 2HG MET 3 HG1 MET 3 11.659 9.667 5.115 25 1HE MET 3 HE1 MET 3 12.325 8.530 2.668 26 2HE MET 3 HE2 MET 3 13.889 9.146 2.143 27 3HE MET 3 HE3 MET 3 12.735 10.233 2.911 28 H HIS 4 HN HIS 4 13.039 8.434 9.493 29 HA HIS 4 HA HIS 4 12.509 10.737 11.229 30 1HB HIS 4 HB2 HIS 4 11.986 9.295 13.206 31 2HB HIS 4 HB1 HIS 4 10.727 9.271 11.972 32 HD1 HIS 4 HD1 HIS 4 12.751 7.044 13.956 33 HD2 HIS 4 HD2 HIS 4 11.132 6.905 10.117 34 HE1 HIS 4 HE1 HIS 4 12.774 4.610 13.256 35 HA PRO 5 HA PRO 5 16.868 9.196 11.304 36 1HB PRO 5 HB2 PRO 5 17.618 11.869 12.206 37 2HB PRO 5 HB1 PRO 5 18.031 11.068 10.683 38 1HG PRO 5 HG2 PRO 5 16.216 13.238 10.998 39 2HG PRO 5 HG1 PRO 5 16.444 12.264 9.538 40 1HD PRO 5 HD2 PRO 5 14.203 12.227 11.433 41 2HD PRO 5 HD1 PRO 5 14.310 11.463 9.832 42 H HIS 6 HN HIS 6 17.533 8.170 13.173 43 HA HIS 6 HA HIS 6 16.271 8.246 15.632 44 1HB HIS 6 HB2 HIS 6 18.019 6.599 15.027 45 2HB HIS 6 HB1 HIS 6 19.249 7.851 15.206 46 HD1 HIS 6 HD1 HIS 6 16.893 8.620 17.721 47 HD2 HIS 6 HD2 HIS 6 19.826 5.677 17.372 48 HE1 HIS 6 HE1 HIS 6 17.370 7.802 20.070 49 H GLY 7 HN GLY 7 15.718 10.386 16.248 50 1HA GLY 7 HA2 GLY 7 16.792 11.795 18.171 51 2HA GLY 7 HA1 GLY 7 17.978 12.220 16.938 52 H ALA 8 HN ALA 8 16.684 12.859 14.728 53 HA ALA 8 HA ALA 8 15.390 15.318 15.387 54 1HB ALA 8 HB1 ALA 8 14.902 14.277 12.649 55 2HB ALA 8 HB2 ALA 8 16.592 14.246 13.142 56 3HB ALA 8 HB3 ALA 8 15.707 15.767 13.155 57 HA PRO 9 HA PRO 9 11.127 14.154 15.389 58 1HB PRO 9 HB2 PRO 9 10.019 15.934 13.448 59 2HB PRO 9 HB1 PRO 9 10.233 16.275 15.174 60 1HG PRO 9 HG2 PRO 9 11.647 17.486 12.981 61 2HG PRO 9 HG1 PRO 9 11.936 17.741 14.710 62 1HD PRO 9 HD2 PRO 9 13.450 16.071 12.795 63 2HD PRO 9 HD1 PRO 9 13.954 16.686 14.386 64 HA PRO 10 HA PRO 10 10.282 11.562 11.969 65 1HB PRO 10 HB2 PRO 10 7.474 11.932 11.599 66 2HB PRO 10 HB1 PRO 10 8.252 10.701 12.606 67 1HG PRO 10 HG2 PRO 10 6.828 13.118 13.466 68 2HG PRO 10 HG1 PRO 10 7.398 11.764 14.454 69 1HD PRO 10 HD2 PRO 10 8.554 14.390 14.294 70 2HD PRO 10 HD1 PRO 10 9.193 12.988 15.174 71 H ASN 11 HN ASN 11 10.964 12.174 9.909 72 HA ASN 11 HA ASN 11 10.356 14.770 8.831 73 1HB ASN 11 HB2 ASN 11 12.392 13.374 8.268 74 2HB ASN 11 HB1 ASN 11 11.335 12.345 7.300 75 1HD2 ASN 11 HD21 ASN 11 13.359 15.020 7.077 76 2HD2 ASN 11 HD22 ASN 11 12.714 15.720 5.672 77 H HIS 12 HN HIS 12 8.997 15.266 7.022 78 HA HIS 12 HA HIS 12 7.026 13.178 6.220 79 1HB HIS 12 HB2 HIS 12 5.171 14.795 6.544 80 2HB HIS 12 HB1 HIS 12 5.970 14.398 8.066 81 HD1 HIS 12 HD1 HIS 12 4.849 17.234 6.187 82 HD2 HIS 12 HD2 HIS 12 8.150 16.476 8.618 83 HE1 HIS 12 HE1 HIS 12 5.777 19.493 6.859 84 H ARG 13 HN ARG 13 7.203 13.117 4.044 85 HA ARG 13 HA ARG 13 8.050 15.499 2.544 86 1HB ARG 13 HB2 ARG 13 7.453 12.621 1.820 87 2HB ARG 13 HB1 ARG 13 7.698 13.824 0.568 88 1HG ARG 13 HG2 ARG 13 9.852 12.982 0.823 89 2HG ARG 13 HG1 ARG 13 9.908 14.372 1.897 90 1HD ARG 13 HD2 ARG 13 8.958 12.395 3.591 91 2HD ARG 13 HD1 ARG 13 10.050 11.484 2.556 92 HE ARG 13 HE ARG 13 10.872 13.126 4.681 93 1HH1 ARG 13 HH21 ARG 13 11.484 12.853 1.291 94 2HH1 ARG 13 HH22 ARG 13 13.009 13.661 1.375 95 1HH2 ARG 13 HH11 ARG 13 12.862 14.159 4.797 96 2HH2 ARG 13 HH12 ARG 13 13.792 14.392 3.354 97 HA PRO 14 HA PRO 14 4.062 17.044 1.495 98 1HB PRO 14 HB2 PRO 14 4.557 16.851 -1.410 99 2HB PRO 14 HB1 PRO 14 4.333 18.295 -0.412 100 1HG PRO 14 HG2 PRO 14 6.806 17.316 -1.471 101 2HG PRO 14 HG1 PRO 14 6.597 18.656 -0.334 102 1HD PRO 14 HD2 PRO 14 7.744 16.071 0.216 103 2HD PRO 14 HD1 PRO 14 7.468 17.394 1.364 104 H TRP 15 HN TRP 15 2.418 15.529 1.837 105 HA TRP 15 HA TRP 15 2.450 12.916 0.588 106 1HB TRP 15 HB2 TRP 15 0.108 14.282 1.940 107 2HB TRP 15 HB1 TRP 15 0.358 12.549 1.731 108 HD1 TRP 15 HD1 TRP 15 3.254 12.146 2.653 109 HE1 TRP 15 HE1 TRP 15 3.960 12.552 5.099 110 HE3 TRP 15 HE3 TRP 15 -0.520 15.239 4.159 111 HZ2 TRP 15 HZ2 TRP 15 3.046 13.998 7.391 112 HZ3 TRP 15 HZ3 TRP 15 -0.578 16.115 6.477 113 HH2 TRP 15 HH2 TRP 15 1.198 15.499 8.093 114 H GLN 16 HN GLN 16 2.002 15.759 -0.840 115 HA GLN 16 HA GLN 16 0.831 16.498 -2.737 116 1HB GLN 16 HB2 GLN 16 0.984 13.506 -3.137 117 2HB GLN 16 HB1 GLN 16 0.247 14.567 -4.339 118 1HG GLN 16 HG2 GLN 16 2.278 15.775 -4.661 119 2HG GLN 16 HG1 GLN 16 3.029 15.025 -3.252 120 1HE2 GLN 16 HE21 GLN 16 1.661 14.165 -6.472 121 2HE2 GLN 16 HE22 GLN 16 2.690 12.839 -6.721 122 H MET 17 HN MET 17 -0.929 17.015 -1.014 123 HA MET 17 HA MET 17 -3.229 15.627 -0.361 124 1HB MET 17 HB2 MET 17 -4.450 17.739 -0.549 125 2HB MET 17 HB1 MET 17 -2.861 18.009 0.165 126 1HG MET 17 HG2 MET 17 -2.080 18.496 -2.261 127 2HG MET 17 HG1 MET 17 -3.798 18.656 -2.628 128 1HE MET 17 HE1 MET 17 -2.316 22.288 -2.457 129 2HE MET 17 HE2 MET 17 -2.790 20.943 -3.491 130 3HE MET 17 HE3 MET 17 -1.236 20.903 -2.664 131 H LYS 18 HN LYS 18 -2.673 17.112 -3.585 132 HA LYS 18 HA LYS 18 -5.173 16.404 -4.700 133 1HB LYS 18 HB2 LYS 18 -3.889 16.361 -6.901 134 2HB LYS 18 HB1 LYS 18 -3.737 17.844 -5.961 135 1HG LYS 18 HG2 LYS 18 -1.601 17.074 -5.036 136 2HG LYS 18 HG1 LYS 18 -1.747 15.553 -5.913 137 1HD LYS 18 HD2 LYS 18 -1.910 18.100 -7.506 138 2HD LYS 18 HD1 LYS 18 -0.330 17.618 -6.897 139 1HE LYS 18 HE2 LYS 18 -0.628 16.696 -9.127 140 2HE LYS 18 HE1 LYS 18 -0.645 15.375 -7.961 141 1HZ LYS 18 HZ1 LYS 18 -2.434 15.273 -9.657 142 2HZ LYS 18 HZ2 LYS 18 -3.091 16.694 -8.999 143 3HZ LYS 18 HZ3 LYS 18 -3.004 15.281 -8.060 144 H ASP 19 HN ASP 19 -2.340 14.442 -4.067 145 HA ASP 19 HA ASP 19 -2.868 12.231 -5.755 146 1HB ASP 19 HB2 ASP 19 -0.800 12.494 -4.460 147 2HB ASP 19 HB1 ASP 19 -1.693 12.211 -2.967 148 H LEU 20 HN LEU 20 -3.311 11.910 -2.246 149 HA LEU 20 HA LEU 20 -5.309 9.918 -2.543 150 1HB LEU 20 HB2 LEU 20 -5.658 10.174 -0.105 151 2HB LEU 20 HB1 LEU 20 -3.963 10.011 -0.548 152 HG LEU 20 HG LEU 20 -4.245 12.755 -0.655 153 1HD1 LEU 20 HD11 LEU 20 -5.843 11.925 1.776 154 2HD1 LEU 20 HD12 LEU 20 -6.616 12.422 0.272 155 3HD1 LEU 20 HD13 LEU 20 -5.584 13.551 1.146 156 1HD2 LEU 20 HD21 LEU 20 -3.200 12.757 1.631 157 2HD2 LEU 20 HD22 LEU 20 -2.433 11.634 0.508 158 3HD2 LEU 20 HD23 LEU 20 -3.540 11.030 1.740 159 H GLN 21 HN GLN 21 -5.574 13.398 -1.891 160 HA GLN 21 HA GLN 21 -8.243 13.700 -1.260 161 1HB GLN 21 HB2 GLN 21 -6.750 15.625 -1.556 162 2HB GLN 21 HB1 GLN 21 -6.741 15.361 -3.302 163 1HG GLN 21 HG2 GLN 21 -9.064 15.882 -3.488 164 2HG GLN 21 HG1 GLN 21 -9.290 15.812 -1.740 165 1HE2 GLN 21 HE21 GLN 21 -7.401 17.648 -4.208 166 2HE2 GLN 21 HE22 GLN 21 -7.434 19.114 -3.353 167 H ALA 22 HN ALA 22 -6.939 12.776 -4.406 168 HA ALA 22 HA ALA 22 -9.604 12.930 -5.669 169 1HB ALA 22 HB1 ALA 22 -6.860 12.059 -6.610 170 2HB ALA 22 HB2 ALA 22 -7.832 13.415 -7.182 171 3HB ALA 22 HB3 ALA 22 -8.299 11.764 -7.590 172 H ILE 23 HN ILE 23 -7.534 10.509 -4.179 173 HA ILE 23 HA ILE 23 -9.406 8.331 -5.000 174 HB ILE 23 HB ILE 23 -6.796 8.338 -3.460 175 1HG1 ILE 23 HG12 ILE 23 -6.291 6.770 -5.592 176 2HG1 ILE 23 HG11 ILE 23 -7.580 7.734 -6.305 177 1HG2 ILE 23 HG21 ILE 23 -7.774 6.490 -2.485 178 2HG2 ILE 23 HG22 ILE 23 -7.158 5.722 -3.945 179 3HG2 ILE 23 HG23 ILE 23 -8.853 6.197 -3.846 180 1HD1 ILE 23 HD11 ILE 23 -5.299 8.679 -6.701 181 2HD1 ILE 23 HD12 ILE 23 -5.136 8.921 -4.963 182 3HD1 ILE 23 HD13 ILE 23 -6.380 9.788 -5.863 183 H LYS 24 HN LYS 24 -9.138 10.657 -2.659 184 HA LYS 24 HA LYS 24 -10.463 9.040 -0.524 185 1HB LYS 24 HB2 LYS 24 -8.433 10.180 0.232 186 2HB LYS 24 HB1 LYS 24 -8.982 11.681 -0.486 187 1HG LYS 24 HG2 LYS 24 -9.319 11.655 1.961 188 2HG LYS 24 HG1 LYS 24 -10.846 11.804 1.094 189 1HD LYS 24 HD2 LYS 24 -11.561 9.696 1.703 190 2HD LYS 24 HD1 LYS 24 -9.931 9.026 1.744 191 1HE LYS 24 HE2 LYS 24 -9.515 10.322 3.852 192 2HE LYS 24 HE1 LYS 24 -11.204 10.830 3.826 193 1HZ LYS 24 HZ1 LYS 24 -11.772 8.407 3.753 194 2HZ LYS 24 HZ2 LYS 24 -11.073 8.938 5.207 195 3HZ LYS 24 HZ3 LYS 24 -10.141 8.075 4.079 196 H GLN 25 HN GLN 25 -10.949 11.352 -3.003 197 HA GLN 25 HA GLN 25 -13.390 12.402 -1.728 198 1HB GLN 25 HB2 GLN 25 -12.219 14.040 -3.020 199 2HB GLN 25 HB1 GLN 25 -11.963 12.915 -4.353 200 1HG GLN 25 HG2 GLN 25 -14.242 13.001 -5.010 201 2HG GLN 25 HG1 GLN 25 -14.735 13.749 -3.491 202 1HE2 GLN 25 HE21 GLN 25 -12.183 14.528 -5.933 203 2HE2 GLN 25 HE22 GLN 25 -12.636 16.156 -6.097 204 H GLU 26 HN GLU 26 -12.106 10.149 -4.032 205 HA GLU 26 HA GLU 26 -14.715 9.370 -5.126 206 1HB GLU 26 HB2 GLU 26 -12.695 9.540 -6.570 207 2HB GLU 26 HB1 GLU 26 -11.966 8.225 -5.649 208 1HG GLU 26 HG2 GLU 26 -13.629 6.674 -6.358 209 2HG GLU 26 HG1 GLU 26 -14.662 7.957 -6.984 210 H VAL 27 HN VAL 27 -12.557 8.306 -2.518 211 HA VAL 27 HA VAL 27 -13.365 5.569 -2.564 212 HB VAL 27 HB VAL 27 -11.539 6.220 -1.149 213 1HG1 VAL 27 HG11 VAL 27 -12.647 8.463 -0.559 214 2HG1 VAL 27 HG12 VAL 27 -11.753 7.647 0.722 215 3HG1 VAL 27 HG13 VAL 27 -13.511 7.580 0.690 216 1HG2 VAL 27 HG21 VAL 27 -13.761 5.383 0.720 217 2HG2 VAL 27 HG22 VAL 27 -12.080 4.850 0.696 218 3HG2 VAL 27 HG23 VAL 27 -13.193 4.311 -0.557 219 H SER 28 HN SER 28 -14.345 8.651 -1.178 220 HA SER 28 HA SER 28 -16.622 7.978 0.387 221 1HB SER 28 HB2 SER 28 -15.780 10.294 0.289 222 2HB SER 28 HB1 SER 28 -16.229 10.405 -1.409 223 HG SER 28 HG SER 28 -18.121 10.979 -0.725 224 H GLN 29 HN GLN 29 -17.026 9.524 -2.769 225 HA GLN 29 HA GLN 29 -19.149 9.114 -4.077 226 1HB GLN 29 HB2 GLN 29 -16.979 9.085 -5.234 227 2HB GLN 29 HB1 GLN 29 -16.938 7.334 -5.044 228 1HG GLN 29 HG2 GLN 29 -19.035 7.119 -6.283 229 2HG GLN 29 HG1 GLN 29 -19.161 8.874 -6.410 230 1HE2 GLN 29 HE21 GLN 29 -17.369 9.984 -7.669 231 2HE2 GLN 29 HE22 GLN 29 -16.606 9.127 -8.920 232 H ALA 30 HN ALA 30 -17.354 6.127 -3.268 233 HA ALA 30 HA ALA 30 -19.773 4.439 -3.722 234 1HB ALA 30 HB1 ALA 30 -18.253 2.567 -3.543 235 2HB ALA 30 HB2 ALA 30 -16.972 3.605 -2.910 236 3HB ALA 30 HB3 ALA 30 -17.512 3.782 -4.580 237 H ALA 31 HN ALA 31 -18.794 2.466 -1.823 238 HA ALA 31 HA ALA 31 -20.165 3.463 0.574 239 1HB ALA 31 HB1 ALA 31 -19.792 0.960 -0.649 240 2HB ALA 31 HB2 ALA 31 -20.542 1.221 0.919 241 3HB ALA 31 HB3 ALA 31 -18.820 0.846 0.814 242 HA PRO 32 HA PRO 32 -16.558 4.480 2.937 243 1HB PRO 32 HB2 PRO 32 -16.705 2.595 5.124 244 2HB PRO 32 HB1 PRO 32 -17.274 4.268 5.107 245 1HG PRO 32 HG2 PRO 32 -18.881 1.863 5.092 246 2HG PRO 32 HG1 PRO 32 -19.445 3.541 5.075 247 1HD PRO 32 HD2 PRO 32 -19.448 1.633 2.893 248 2HD PRO 32 HD1 PRO 32 -20.092 3.285 2.889 249 H GLY 33 HN GLY 33 -16.092 2.739 0.848 250 1HA GLY 33 HA2 GLY 33 -13.553 1.846 0.894 251 2HA GLY 33 HA1 GLY 33 -14.381 0.518 1.732 252 H SER 34 HN SER 34 -15.489 -0.938 0.529 253 HA SER 34 HA SER 34 -16.392 -2.025 -1.318 254 1HB SER 34 HB2 SER 34 -18.109 -0.742 -2.033 255 2HB SER 34 HB1 SER 34 -17.332 0.662 -1.321 256 HG SER 34 HG SER 34 -17.773 0.693 -3.671 257 HA PRO 35 HA PRO 35 -13.362 -2.503 -4.535 258 1HB PRO 35 HB2 PRO 35 -15.177 -2.099 -6.795 259 2HB PRO 35 HB1 PRO 35 -14.418 -3.598 -6.238 260 1HG PRO 35 HG2 PRO 35 -17.170 -2.867 -5.949 261 2HG PRO 35 HG1 PRO 35 -16.369 -4.281 -5.250 262 1HD PRO 35 HD2 PRO 35 -17.314 -1.916 -3.871 263 2HD PRO 35 HD1 PRO 35 -16.555 -3.355 -3.168 264 H GLN 36 HN GLN 36 -15.652 0.149 -5.360 265 HA GLN 36 HA GLN 36 -14.247 1.674 -7.115 266 1HB GLN 36 HB2 GLN 36 -16.376 2.286 -5.893 267 2HB GLN 36 HB1 GLN 36 -15.351 2.927 -4.605 268 1HG GLN 36 HG2 GLN 36 -15.838 4.785 -6.028 269 2HG GLN 36 HG1 GLN 36 -14.185 4.306 -6.416 270 1HE2 GLN 36 HE21 GLN 36 -17.565 3.639 -7.499 271 2HE2 GLN 36 HE22 GLN 36 -17.158 3.464 -9.138 272 H PHE 37 HN PHE 37 -13.255 1.203 -3.756 273 HA PHE 37 HA PHE 37 -11.064 3.188 -3.867 274 1HB PHE 37 HB2 PHE 37 -12.208 2.600 -1.737 275 2HB PHE 37 HB1 PHE 37 -11.701 0.930 -1.940 276 HD1 PHE 37 HD1 PHE 37 -10.249 4.392 -1.870 277 HD2 PHE 37 HD2 PHE 37 -9.702 0.234 -0.932 278 HE1 PHE 37 HE1 PHE 37 -8.089 4.921 -0.772 279 HE2 PHE 37 HE2 PHE 37 -7.541 0.765 0.163 280 HZ PHE 37 HZ PHE 37 -6.735 3.109 0.243 281 H MET 38 HN MET 38 -11.517 0.048 -5.035 282 HA MET 38 HA MET 38 -8.598 -0.556 -5.060 283 1HB MET 38 HB2 MET 38 -9.945 -2.538 -4.862 284 2HB MET 38 HB1 MET 38 -11.078 -1.979 -6.086 285 1HG MET 38 HG2 MET 38 -8.193 -2.425 -6.826 286 2HG MET 38 HG1 MET 38 -9.301 -3.793 -6.733 287 1HE MET 38 HE1 MET 38 -8.884 -4.406 -9.110 288 2HE MET 38 HE2 MET 38 -7.783 -3.058 -9.385 289 3HE MET 38 HE3 MET 38 -9.095 -3.360 -10.521 290 H GLN 39 HN GLN 39 -11.200 0.277 -7.333 291 HA GLN 39 HA GLN 39 -9.710 0.368 -9.700 292 1HB GLN 39 HB2 GLN 39 -12.192 0.687 -9.424 293 2HB GLN 39 HB1 GLN 39 -11.860 2.345 -8.921 294 1HG GLN 39 HG2 GLN 39 -12.320 2.421 -11.272 295 2HG GLN 39 HG1 GLN 39 -10.579 2.630 -11.091 296 1HE2 GLN 39 HE21 GLN 39 -9.460 1.407 -12.607 297 2HE2 GLN 39 HE22 GLN 39 -9.931 -0.123 -13.171 298 H THR 40 HN THR 40 -10.172 2.855 -7.200 299 HA THR 40 HA THR 40 -8.475 4.865 -8.519 300 HB THR 40 HB THR 40 -8.812 5.830 -6.114 301 HG1 THR 40 HG1 THR 40 -9.542 3.557 -5.559 302 1HG2 THR 40 HG21 THR 40 -10.125 6.926 -7.702 303 2HG2 THR 40 HG22 THR 40 -11.350 6.218 -6.647 304 3HG2 THR 40 HG23 THR 40 -10.948 5.437 -8.175 305 H ILE 41 HN ILE 41 -7.983 2.462 -5.968 306 HA ILE 41 HA ILE 41 -5.278 3.547 -5.523 307 HB ILE 41 HB ILE 41 -6.538 0.937 -4.635 308 1HG1 ILE 41 HG12 ILE 41 -7.463 3.293 -3.858 309 2HG1 ILE 41 HG11 ILE 41 -7.219 2.012 -2.676 310 1HG2 ILE 41 HG21 ILE 41 -4.171 0.676 -4.579 311 2HG2 ILE 41 HG22 ILE 41 -4.651 1.048 -2.924 312 3HG2 ILE 41 HG23 ILE 41 -3.934 2.299 -3.940 313 1HD1 ILE 41 HD11 ILE 41 -6.282 4.429 -2.189 314 2HD1 ILE 41 HD12 ILE 41 -4.970 3.926 -3.255 315 3HD1 ILE 41 HD13 ILE 41 -5.305 3.016 -1.786 316 H ARG 42 HN ARG 42 -6.835 1.575 -7.769 317 HA ARG 42 HA ARG 42 -4.674 -0.184 -8.494 318 1HB ARG 42 HB2 ARG 42 -7.061 -0.466 -9.230 319 2HB ARG 42 HB1 ARG 42 -6.836 0.925 -10.289 320 1HG ARG 42 HG2 ARG 42 -4.978 -0.268 -11.425 321 2HG ARG 42 HG1 ARG 42 -5.262 -1.666 -10.389 322 1HD ARG 42 HD2 ARG 42 -6.435 -2.124 -12.415 323 2HD ARG 42 HD1 ARG 42 -7.670 -1.636 -11.253 324 HE ARG 42 HE ARG 42 -6.972 0.734 -12.503 325 1HH1 ARG 42 HH21 ARG 42 -7.966 -2.415 -13.494 326 2HH1 ARG 42 HH22 ARG 42 -8.765 -1.858 -14.926 327 1HH2 ARG 42 HH11 ARG 42 -8.010 1.480 -14.367 328 2HH2 ARG 42 HH12 ARG 42 -8.790 0.348 -15.420 329 H LEU 43 HN LEU 43 -5.835 2.904 -9.903 330 HA LEU 43 HA LEU 43 -3.396 3.072 -11.559 331 1HB LEU 43 HB2 LEU 43 -5.713 5.002 -11.276 332 2HB LEU 43 HB1 LEU 43 -4.459 5.067 -12.511 333 HG LEU 43 HG LEU 43 -6.197 2.620 -12.138 334 1HD1 LEU 43 HD11 LEU 43 -6.708 4.964 -13.993 335 2HD1 LEU 43 HD12 LEU 43 -7.648 4.594 -12.548 336 3HD1 LEU 43 HD13 LEU 43 -7.653 3.477 -13.913 337 1HD2 LEU 43 HD21 LEU 43 -5.613 2.411 -14.623 338 2HD2 LEU 43 HD22 LEU 43 -4.279 2.170 -13.500 339 3HD2 LEU 43 HD23 LEU 43 -4.440 3.699 -14.361 340 H ALA 44 HN ALA 44 -4.258 4.092 -8.418 341 HA ALA 44 HA ALA 44 -2.495 6.505 -8.557 342 1HB ALA 44 HB1 ALA 44 -3.133 6.904 -6.255 343 2HB ALA 44 HB2 ALA 44 -3.818 5.284 -6.112 344 3HB ALA 44 HB3 ALA 44 -4.598 6.485 -7.142 345 H VAL 45 HN VAL 45 -2.460 3.343 -6.889 346 HA VAL 45 HA VAL 45 0.265 3.825 -5.986 347 HB VAL 45 HB VAL 45 -1.533 1.387 -5.985 348 1HG1 VAL 45 HG11 VAL 45 1.344 1.688 -5.099 349 2HG1 VAL 45 HG12 VAL 45 0.667 0.476 -6.187 350 3HG1 VAL 45 HG13 VAL 45 0.287 0.427 -4.466 351 1HG2 VAL 45 HG21 VAL 45 -0.345 2.952 -3.682 352 2HG2 VAL 45 HG22 VAL 45 -1.671 1.791 -3.628 353 3HG2 VAL 45 HG23 VAL 45 -1.902 3.359 -4.402 354 H GLN 46 HN GLN 46 -1.283 2.412 -8.802 355 HA GLN 46 HA GLN 46 1.167 1.066 -9.686 356 1HB GLN 46 HB2 GLN 46 -1.127 0.249 -10.277 357 2HB GLN 46 HB1 GLN 46 -1.330 1.687 -11.281 358 1HG GLN 46 HG2 GLN 46 0.508 1.052 -12.699 359 2HG GLN 46 HG1 GLN 46 0.959 -0.265 -11.616 360 1HE2 GLN 46 HE21 GLN 46 0.152 -0.490 -14.482 361 2HE2 GLN 46 HE22 GLN 46 -1.214 -1.496 -14.502 362 H GLN 47 HN GLN 47 -0.167 4.278 -9.976 363 HA GLN 47 HA GLN 47 1.346 4.851 -12.416 364 1HB GLN 47 HB2 GLN 47 -0.458 6.467 -10.645 365 2HB GLN 47 HB1 GLN 47 0.540 7.266 -11.855 366 1HG GLN 47 HG2 GLN 47 -0.469 6.040 -13.646 367 2HG GLN 47 HG1 GLN 47 -1.282 4.941 -12.533 368 1HE2 GLN 47 HE21 GLN 47 -2.689 6.549 -14.505 369 2HE2 GLN 47 HE22 GLN 47 -3.670 7.649 -13.663 370 H PHE 48 HN PHE 48 1.316 6.451 -9.214 371 HA PHE 48 HA PHE 48 4.070 7.414 -9.683 372 1HB PHE 48 HB2 PHE 48 2.281 7.849 -7.277 373 2HB PHE 48 HB1 PHE 48 3.724 8.767 -7.707 374 HD1 PHE 48 HD1 PHE 48 3.679 10.455 -9.430 375 HD2 PHE 48 HD2 PHE 48 0.220 8.030 -8.649 376 HE1 PHE 48 HE1 PHE 48 2.300 11.970 -10.828 377 HE2 PHE 48 HE2 PHE 48 -1.158 9.545 -10.047 378 HZ PHE 48 HZ PHE 48 -0.118 11.516 -11.137 379 H ASP 49 HN ASP 49 2.781 4.591 -8.491 380 HA ASP 49 HA ASP 49 3.490 3.086 -6.745 381 1HB ASP 49 HB2 ASP 49 6.049 3.724 -8.226 382 2HB ASP 49 HB1 ASP 49 5.732 2.264 -7.291 383 HA PRO 50 HA PRO 50 5.239 6.447 -3.987 384 1HB PRO 50 HB2 PRO 50 3.505 5.198 -1.955 385 2HB PRO 50 HB1 PRO 50 3.533 6.880 -2.508 386 1HG PRO 50 HG2 PRO 50 1.530 4.987 -3.121 387 2HG PRO 50 HG1 PRO 50 1.779 6.528 -3.955 388 1HD PRO 50 HD2 PRO 50 2.347 3.811 -4.918 389 2HD PRO 50 HD1 PRO 50 2.316 5.329 -5.842 390 H THR 51 HN THR 51 6.739 6.063 -2.195 391 HA THR 51 HA THR 51 7.994 3.443 -2.301 392 HB THR 51 HB THR 51 9.577 4.340 -0.694 393 HG1 THR 51 HG1 THR 51 9.148 6.138 0.461 394 1HG2 THR 51 HG21 THR 51 10.187 6.486 -1.849 395 2HG2 THR 51 HG22 THR 51 8.656 6.393 -2.721 396 3HG2 THR 51 HG23 THR 51 9.881 5.145 -2.954 397 H ALA 52 HN ALA 52 8.372 2.167 -0.222 398 HA ALA 52 HA ALA 52 5.886 1.422 0.888 399 1HB ALA 52 HB1 ALA 52 7.090 -0.047 2.309 400 2HB ALA 52 HB2 ALA 52 8.496 1.017 2.360 401 3HB ALA 52 HB3 ALA 52 8.119 0.122 0.888 402 H LYS 53 HN LYS 53 8.099 3.918 1.644 403 HA LYS 53 HA LYS 53 7.371 4.466 4.377 404 1HB LYS 53 HB2 LYS 53 8.491 6.337 2.270 405 2HB LYS 53 HB1 LYS 53 8.532 6.602 4.008 406 1HG LYS 53 HG2 LYS 53 9.742 4.083 2.877 407 2HG LYS 53 HG1 LYS 53 10.642 5.592 2.775 408 1HD LYS 53 HD2 LYS 53 10.604 5.872 5.158 409 2HD LYS 53 HD1 LYS 53 9.473 4.538 5.359 410 1HE LYS 53 HE2 LYS 53 11.796 3.851 5.894 411 2HE LYS 53 HE1 LYS 53 11.154 2.957 4.516 412 1HZ LYS 53 HZ1 LYS 53 12.480 5.436 3.845 413 2HZ LYS 53 HZ2 LYS 53 12.602 3.904 3.120 414 3HZ LYS 53 HZ3 LYS 53 13.497 4.258 4.520 415 H ASP 54 HN ASP 54 6.283 5.816 1.251 416 HA ASP 54 HA ASP 54 4.225 7.596 2.415 417 1HB ASP 54 HB2 ASP 54 5.112 8.051 0.165 418 2HB ASP 54 HB1 ASP 54 4.647 6.434 -0.359 419 H LEU 55 HN LEU 55 4.489 4.212 2.019 420 HA LEU 55 HA LEU 55 1.525 3.943 2.094 421 1HB LEU 55 HB2 LEU 55 3.841 2.072 1.753 422 2HB LEU 55 HB1 LEU 55 2.392 1.411 2.499 423 HG LEU 55 HG LEU 55 2.442 1.120 0.014 424 1HD1 LEU 55 HD11 LEU 55 0.186 3.038 0.444 425 2HD1 LEU 55 HD12 LEU 55 0.287 1.670 1.550 426 3HD1 LEU 55 HD13 LEU 55 0.172 1.392 -0.184 427 1HD2 LEU 55 HD21 LEU 55 2.387 2.961 -1.471 428 2HD2 LEU 55 HD22 LEU 55 3.614 3.406 -0.290 429 3HD2 LEU 55 HD23 LEU 55 1.999 4.102 -0.185 430 H GLN 56 HN GLN 56 4.135 4.489 4.146 431 HA GLN 56 HA GLN 56 3.108 3.068 6.485 432 1HB GLN 56 HB2 GLN 56 5.556 3.589 6.054 433 2HB GLN 56 HB1 GLN 56 5.177 5.270 6.431 434 1HG GLN 56 HG2 GLN 56 5.947 4.282 8.474 435 2HG GLN 56 HG1 GLN 56 4.196 4.433 8.624 436 1HE2 GLN 56 HE21 GLN 56 3.062 2.533 9.106 437 2HE2 GLN 56 HE22 GLN 56 3.712 0.969 8.994 438 H ASP 57 HN ASP 57 3.354 6.513 5.511 439 HA ASP 57 HA ASP 57 1.628 7.289 7.789 440 1HB ASP 57 HB2 ASP 57 3.487 8.772 7.215 441 2HB ASP 57 HB1 ASP 57 2.887 8.924 5.563 442 H LEU 58 HN LEU 58 1.183 6.344 4.525 443 HA LEU 58 HA LEU 58 -1.415 7.781 4.303 444 1HB LEU 58 HB2 LEU 58 0.100 7.359 2.278 445 2HB LEU 58 HB1 LEU 58 -0.259 5.646 2.474 446 HG LEU 58 HG LEU 58 -2.769 6.410 2.412 447 1HD1 LEU 58 HD11 LEU 58 -1.346 8.776 1.153 448 2HD1 LEU 58 HD12 LEU 58 -2.461 8.808 2.518 449 3HD1 LEU 58 HD13 LEU 58 -3.052 8.415 0.907 450 1HD2 LEU 58 HD21 LEU 58 -0.938 6.407 -0.005 451 2HD2 LEU 58 HD22 LEU 58 -2.698 6.360 -0.115 452 3HD2 LEU 58 HD23 LEU 58 -1.828 5.037 0.662 453 H LEU 59 HN LEU 59 -0.133 4.724 5.310 454 HA LEU 59 HA LEU 59 -2.861 3.528 5.433 455 1HB LEU 59 HB2 LEU 59 -0.712 2.220 4.782 456 2HB LEU 59 HB1 LEU 59 -0.299 2.322 6.492 457 HG LEU 59 HG LEU 59 -2.750 1.386 6.848 458 1HD1 LEU 59 HD11 LEU 59 -3.471 1.492 4.516 459 2HD1 LEU 59 HD12 LEU 59 -3.371 -0.195 5.013 460 3HD1 LEU 59 HD13 LEU 59 -2.098 0.505 4.016 461 1HD2 LEU 59 HD21 LEU 59 -0.424 -0.286 5.847 462 2HD2 LEU 59 HD22 LEU 59 -1.839 -0.946 6.666 463 3HD2 LEU 59 HD23 LEU 59 -0.761 0.159 7.520 464 H GLN 60 HN GLN 60 -0.693 5.364 7.338 465 HA GLN 60 HA GLN 60 -1.900 4.460 9.892 466 1HB GLN 60 HB2 GLN 60 0.560 5.003 9.598 467 2HB GLN 60 HB1 GLN 60 0.086 6.697 9.457 468 1HG GLN 60 HG2 GLN 60 -0.994 6.591 11.666 469 2HG GLN 60 HG1 GLN 60 -0.556 4.888 11.807 470 1HE2 GLN 60 HE21 GLN 60 1.743 6.999 10.234 471 2HE2 GLN 60 HE22 GLN 60 2.851 7.077 11.518 472 H TYR 61 HN TYR 61 -2.144 7.077 7.574 473 HA TYR 61 HA TYR 61 -3.836 8.681 9.458 474 1HB TYR 61 HB2 TYR 61 -1.869 9.806 8.387 475 2HB TYR 61 HB1 TYR 61 -2.616 9.521 6.815 476 HD1 TYR 61 HD1 TYR 61 -2.768 11.449 9.932 477 HD2 TYR 61 HD2 TYR 61 -4.717 10.649 6.189 478 HE1 TYR 61 HE1 TYR 61 -4.157 13.483 10.221 479 HE2 TYR 61 HE2 TYR 61 -6.107 12.683 6.478 480 HH TYR 61 HH TYR 61 -5.814 14.935 7.793 481 H LEU 62 HN LEU 62 -3.741 7.858 5.957 482 HA LEU 62 HA LEU 62 -6.509 8.519 5.536 483 1HB LEU 62 HB2 LEU 62 -4.496 7.915 3.828 484 2HB LEU 62 HB1 LEU 62 -5.244 6.324 3.912 485 HG LEU 62 HG LEU 62 -7.484 7.661 3.482 486 1HD1 LEU 62 HD11 LEU 62 -6.486 9.904 3.681 487 2HD1 LEU 62 HD12 LEU 62 -7.102 9.651 2.052 488 3HD1 LEU 62 HD13 LEU 62 -5.373 9.536 2.365 489 1HD2 LEU 62 HD21 LEU 62 -7.105 7.445 1.025 490 2HD2 LEU 62 HD22 LEU 62 -6.558 6.023 1.913 491 3HD2 LEU 62 HD23 LEU 62 -5.385 7.206 1.335 492 H CYS 63 HN CYS 63 -4.993 5.616 6.782 493 HA CYS 63 HA CYS 63 -7.718 4.378 6.956 494 1HB CYS 63 HB2 CYS 63 -5.142 2.956 7.613 495 2HB CYS 63 HB1 CYS 63 -6.692 2.273 7.142 496 HG CYS 63 HG CYS 63 -4.618 2.729 5.190 497 H SER 64 HN SER 64 -6.213 2.760 9.248 498 HA SER 64 HA SER 64 -5.795 4.732 11.322 499 1HB SER 64 HB2 SER 64 -8.434 3.271 11.225 500 2HB SER 64 HB1 SER 64 -7.799 4.010 12.690 501 HG SER 64 HG SER 64 -7.548 5.822 10.845 502 H SER 65 HN SER 65 -5.881 3.558 13.559 503 HA SER 65 HA SER 65 -3.930 1.650 13.773 504 1HB SER 65 HB2 SER 65 -6.423 1.797 15.487 505 2HB SER 65 HB1 SER 65 -4.924 0.989 15.936 506 HG SER 65 HG SER 65 -4.786 3.640 15.070 507 H LEU 66 HN LEU 66 -7.300 0.480 14.310 508 HA LEU 66 HA LEU 66 -6.757 -2.201 13.866 509 1HB LEU 66 HB2 LEU 66 -9.224 -0.529 13.416 510 2HB LEU 66 HB1 LEU 66 -9.239 -2.248 13.037 511 HG LEU 66 HG LEU 66 -10.059 -1.715 15.349 512 1HD1 LEU 66 HD11 LEU 66 -7.521 -3.261 15.760 513 2HD1 LEU 66 HD12 LEU 66 -8.684 -3.880 14.588 514 3HD1 LEU 66 HD13 LEU 66 -9.167 -3.635 16.263 515 1HD2 LEU 66 HD21 LEU 66 -7.168 -1.021 15.929 516 2HD2 LEU 66 HD22 LEU 66 -8.539 -0.916 17.032 517 3HD2 LEU 66 HD23 LEU 66 -8.423 0.192 15.666 518 H VAL 67 HN VAL 67 -8.446 -0.282 11.380 519 HA VAL 67 HA VAL 67 -8.363 -1.829 9.232 520 HB VAL 67 HB VAL 67 -7.251 0.955 8.973 521 1HG1 VAL 67 HG11 VAL 67 -7.354 -0.316 6.899 522 2HG1 VAL 67 HG12 VAL 67 -8.603 0.928 6.888 523 3HG1 VAL 67 HG13 VAL 67 -9.033 -0.749 7.223 524 1HG2 VAL 67 HG21 VAL 67 -10.071 0.012 9.522 525 2HG2 VAL 67 HG22 VAL 67 -9.706 1.613 8.881 526 3HG2 VAL 67 HG23 VAL 67 -9.116 1.146 10.477 527 H ALA 68 HN ALA 68 -5.458 0.060 10.171 528 HA ALA 68 HA ALA 68 -3.607 -0.794 8.236 529 1HB ALA 68 HB1 ALA 68 -3.190 0.834 10.138 530 2HB ALA 68 HB2 ALA 68 -1.882 -0.313 9.846 531 3HB ALA 68 HB3 ALA 68 -2.991 -0.565 11.194 532 H SER 69 HN SER 69 -4.724 -2.445 11.152 533 HA SER 69 HA SER 69 -3.068 -4.759 11.196 534 1HB SER 69 HB2 SER 69 -4.794 -3.983 12.873 535 2HB SER 69 HB1 SER 69 -6.010 -4.708 11.836 536 HG SER 69 HG SER 69 -3.693 -6.103 12.651 537 H LEU 70 HN LEU 70 -6.445 -4.719 10.181 538 HA LEU 70 HA LEU 70 -6.898 -6.936 8.836 539 1HB LEU 70 HB2 LEU 70 -7.729 -4.320 7.624 540 2HB LEU 70 HB1 LEU 70 -8.608 -5.847 7.656 541 HG LEU 70 HG LEU 70 -8.023 -4.007 9.992 542 1HD1 LEU 70 HD11 LEU 70 -10.588 -5.068 8.773 543 2HD1 LEU 70 HD12 LEU 70 -9.959 -3.431 8.582 544 3HD1 LEU 70 HD13 LEU 70 -10.484 -3.996 10.169 545 1HD2 LEU 70 HD21 LEU 70 -7.701 -6.186 10.900 546 2HD2 LEU 70 HD22 LEU 70 -8.997 -6.871 9.919 547 3HD2 LEU 70 HD23 LEU 70 -9.382 -5.796 11.263 548 H HIS 71 HN HIS 71 -6.218 -4.161 6.702 549 HA HIS 71 HA HIS 71 -5.892 -5.764 4.571 550 1HB HIS 71 HB2 HIS 71 -4.321 -3.171 4.675 551 2HB HIS 71 HB1 HIS 71 -5.113 -3.890 3.277 552 HD1 HIS 71 HD1 HIS 71 -7.534 -4.462 5.698 553 HD2 HIS 71 HD2 HIS 71 -6.210 -0.957 3.872 554 HE1 HIS 71 HE1 HIS 71 -9.383 -2.757 5.993 555 H HIS 72 HN HIS 72 -3.124 -4.333 6.421 556 HA HIS 72 HA HIS 72 -1.258 -5.692 4.789 557 1HB HIS 72 HB2 HIS 72 -0.492 -3.768 6.121 558 2HB HIS 72 HB1 HIS 72 -0.871 -4.623 7.617 559 HD1 HIS 72 HD1 HIS 72 1.807 -4.119 5.172 560 HD2 HIS 72 HD2 HIS 72 0.834 -7.019 8.004 561 HE1 HIS 72 HE1 HIS 72 3.899 -5.501 5.530 562 H GLN 73 HN GLN 73 -3.378 -6.804 7.079 563 HA GLN 73 HA GLN 73 -1.980 -8.994 8.271 564 1HB GLN 73 HB2 GLN 73 -4.474 -8.139 8.632 565 2HB GLN 73 HB1 GLN 73 -4.847 -9.297 7.358 566 1HG GLN 73 HG2 GLN 73 -5.099 -10.450 9.448 567 2HG GLN 73 HG1 GLN 73 -3.603 -11.036 8.719 568 1HE2 GLN 73 HE21 GLN 73 -1.902 -11.111 10.186 569 2HE2 GLN 73 HE22 GLN 73 -1.711 -10.074 11.516 570 H GLN 74 HN GLN 74 -4.147 -8.974 5.419 571 HA GLN 74 HA GLN 74 -3.615 -11.437 4.354 572 1HB GLN 74 HB2 GLN 74 -3.871 -8.795 2.909 573 2HB GLN 74 HB1 GLN 74 -3.822 -10.336 2.053 574 1HG GLN 74 HG2 GLN 74 -5.778 -11.124 3.286 575 2HG GLN 74 HG1 GLN 74 -5.800 -9.642 4.243 576 1HE2 GLN 74 HE21 GLN 74 -6.313 -7.594 3.068 577 2HE2 GLN 74 HE22 GLN 74 -7.196 -7.654 1.620 578 H LEU 75 HN LEU 75 -1.855 -8.514 3.110 579 HA LEU 75 HA LEU 75 0.459 -9.540 1.900 580 1HB LEU 75 HB2 LEU 75 -0.050 -7.192 3.667 581 2HB LEU 75 HB1 LEU 75 1.606 -7.560 3.220 582 HG LEU 75 HG LEU 75 -0.495 -7.464 1.050 583 1HD1 LEU 75 HD11 LEU 75 -0.786 -5.378 2.382 584 2HD1 LEU 75 HD12 LEU 75 -0.148 -5.065 0.769 585 3HD1 LEU 75 HD13 LEU 75 0.929 -5.028 2.165 586 1HD2 LEU 75 HD21 LEU 75 2.451 -6.736 1.192 587 2HD2 LEU 75 HD22 LEU 75 1.456 -6.670 -0.262 588 3HD2 LEU 75 HD23 LEU 75 1.786 -8.220 0.509 589 H ASP 76 HN ASP 76 0.241 -8.971 5.429 590 HA ASP 76 HA ASP 76 2.539 -9.825 6.525 591 1HB ASP 76 HB2 ASP 76 0.138 -9.633 7.554 592 2HB ASP 76 HB1 ASP 76 0.131 -11.386 7.408 593 H SER 77 HN SER 77 0.128 -12.369 5.934 594 HA SER 77 HA SER 77 2.167 -14.411 5.593 595 1HB SER 77 HB2 SER 77 -0.848 -14.413 5.385 596 2HB SER 77 HB1 SER 77 0.153 -15.855 5.192 597 HG SER 77 HG SER 77 -0.045 -15.937 7.296 598 H LEU 78 HN LEU 78 0.025 -12.524 3.435 599 HA LEU 78 HA LEU 78 0.093 -14.183 1.225 600 1HB LEU 78 HB2 LEU 78 -0.707 -11.553 1.623 601 2HB LEU 78 HB1 LEU 78 0.607 -11.349 0.473 602 HG LEU 78 HG LEU 78 -1.605 -13.359 0.072 603 1HD1 LEU 78 HD11 LEU 78 -1.427 -10.550 -1.071 604 2HD1 LEU 78 HD12 LEU 78 -2.519 -11.026 0.230 605 3HD1 LEU 78 HD13 LEU 78 -2.704 -11.728 -1.377 606 1HD2 LEU 78 HD21 LEU 78 0.226 -12.001 -1.924 607 2HD2 LEU 78 HD22 LEU 78 -0.815 -13.397 -2.203 608 3HD2 LEU 78 HD23 LEU 78 0.605 -13.548 -1.167 609 H ILE 79 HN ILE 79 2.512 -11.624 2.053 610 HA ILE 79 HA ILE 79 4.440 -12.203 0.122 611 HB ILE 79 HB ILE 79 4.400 -11.183 2.954 612 1HG1 ILE 79 HG12 ILE 79 3.856 -9.657 1.112 613 2HG1 ILE 79 HG11 ILE 79 5.343 -9.161 1.910 614 1HG2 ILE 79 HG21 ILE 79 6.422 -12.406 3.094 615 2HG2 ILE 79 HG22 ILE 79 6.896 -10.745 2.746 616 3HG2 ILE 79 HG23 ILE 79 6.906 -11.953 1.459 617 1HD1 ILE 79 HD11 ILE 79 6.143 -9.035 -0.223 618 2HD1 ILE 79 HD12 ILE 79 4.911 -10.122 -0.855 619 3HD1 ILE 79 HD13 ILE 79 6.344 -10.780 -0.070 620 H SER 80 HN SER 80 4.173 -13.560 3.448 621 HA SER 80 HA SER 80 6.182 -15.480 3.273 622 1HB SER 80 HB2 SER 80 3.469 -16.085 4.466 623 2HB SER 80 HB1 SER 80 5.032 -16.730 4.961 624 HG SER 80 HG SER 80 4.450 -15.059 6.342 625 H GLU 81 HN GLU 81 2.753 -15.972 2.226 626 HA GLU 81 HA GLU 81 3.413 -18.566 1.114 627 1HB GLU 81 HB2 GLU 81 0.985 -16.817 0.649 628 2HB GLU 81 HB1 GLU 81 1.115 -18.538 0.281 629 1HG GLU 81 HG2 GLU 81 1.442 -19.056 2.647 630 2HG GLU 81 HG1 GLU 81 1.417 -17.338 3.049 631 H ALA 82 HN ALA 82 3.359 -15.272 -0.206 632 HA ALA 82 HA ALA 82 3.084 -16.202 -2.853 633 1HB ALA 82 HB1 ALA 82 4.025 -13.558 -1.749 634 2HB ALA 82 HB2 ALA 82 2.493 -13.939 -2.535 635 3HB ALA 82 HB3 ALA 82 3.975 -13.843 -3.488 636 H GLU 83 HN GLU 83 5.864 -15.321 -0.837 637 HA GLU 83 HA GLU 83 7.824 -15.512 -2.911 638 1HB GLU 83 HB2 GLU 83 9.509 -15.534 -1.116 639 2HB GLU 83 HB1 GLU 83 8.272 -14.326 -0.767 640 1HG GLU 83 HG2 GLU 83 7.098 -16.050 0.641 641 2HG GLU 83 HG1 GLU 83 8.494 -17.104 0.419 642 H THR 84 HN THR 84 6.325 -17.833 -0.757 643 HA THR 84 HA THR 84 8.137 -19.997 -1.154 644 HB THR 84 HB THR 84 5.355 -20.899 -1.082 645 HG1 THR 84 HG1 THR 84 4.805 -18.907 -0.351 646 1HG2 THR 84 HG21 THR 84 7.456 -21.958 -0.057 647 2HG2 THR 84 HG22 THR 84 6.016 -21.928 0.961 648 3HG2 THR 84 HG23 THR 84 7.306 -20.755 1.225 649 H ARG 85 HN ARG 85 5.224 -19.014 -2.989 650 HA ARG 85 HA ARG 85 4.998 -20.917 -4.921 651 1HB ARG 85 HB2 ARG 85 3.540 -19.047 -5.024 652 2HB ARG 85 HB1 ARG 85 4.863 -17.919 -5.245 653 1HG ARG 85 HG2 ARG 85 4.375 -20.114 -7.258 654 2HG ARG 85 HG1 ARG 85 3.432 -18.631 -7.323 655 1HD ARG 85 HD2 ARG 85 6.077 -17.698 -7.108 656 2HD ARG 85 HD1 ARG 85 6.222 -19.094 -8.163 657 HE ARG 85 HE ARG 85 5.280 -16.581 -8.978 658 1HH1 ARG 85 HH21 ARG 85 4.116 -19.833 -8.953 659 2HH1 ARG 85 HH22 ARG 85 3.037 -19.589 -10.282 660 1HH2 ARG 85 HH11 ARG 85 3.888 -16.261 -10.712 661 2HH2 ARG 85 HH12 ARG 85 2.910 -17.573 -11.279 662 H GLY 86 HN GLY 86 7.655 -18.524 -4.764 663 1HA GLY 86 HA2 GLY 86 9.828 -19.218 -5.670 664 2HA GLY 86 HA1 GLY 86 8.992 -20.038 -6.984 665 H ILE 87 HN ILE 87 8.990 -16.716 -5.590 666 HA ILE 87 HA ILE 87 8.360 -15.421 -8.063 667 HB ILE 87 HB ILE 87 9.890 -14.336 -5.659 668 1HG1 ILE 87 HG12 ILE 87 6.925 -14.171 -6.247 669 2HG1 ILE 87 HG11 ILE 87 7.636 -15.397 -5.200 670 1HG2 ILE 87 HG21 ILE 87 8.944 -13.059 -8.153 671 2HG2 ILE 87 HG22 ILE 87 10.057 -12.438 -6.928 672 3HG2 ILE 87 HG23 ILE 87 8.322 -12.263 -6.708 673 1HD1 ILE 87 HD11 ILE 87 6.884 -13.563 -3.802 674 2HD1 ILE 87 HD12 ILE 87 7.724 -12.392 -4.818 675 3HD1 ILE 87 HD13 ILE 87 8.648 -13.529 -3.838 676 H THR 88 HN THR 88 10.610 -13.524 -8.066 677 HA THR 88 HA THR 88 12.306 -14.780 -10.010 678 HB THR 88 HB THR 88 13.007 -12.289 -8.436 679 HG1 THR 88 HG1 THR 88 10.947 -12.788 -10.146 680 1HG2 THR 88 HG21 THR 88 14.774 -13.135 -9.886 681 2HG2 THR 88 HG22 THR 88 14.088 -11.676 -10.600 682 3HG2 THR 88 HG23 THR 88 13.645 -13.260 -11.235 683 H SER 89 HN SER 89 12.534 -16.624 -8.216 684 HA SER 89 HA SER 89 13.882 -17.729 -6.645 685 1HB SER 89 HB2 SER 89 16.093 -16.208 -8.059 686 2HB SER 89 HB1 SER 89 16.231 -17.760 -7.238 687 HG SER 89 HG SER 89 14.935 -17.111 -9.659 688 H TYR 90 HN TYR 90 13.029 -14.838 -6.148 689 HA TYR 90 HA TYR 90 13.354 -13.129 -4.625 690 1HB TYR 90 HB2 TYR 90 13.980 -14.029 -2.300 691 2HB TYR 90 HB1 TYR 90 12.525 -14.669 -3.066 692 HD1 TYR 90 HD1 TYR 90 12.458 -16.942 -3.958 693 HD2 TYR 90 HD2 TYR 90 15.997 -15.397 -2.076 694 HE1 TYR 90 HE1 TYR 90 13.379 -19.239 -3.806 695 HE2 TYR 90 HE2 TYR 90 16.919 -17.695 -1.925 696 HH TYR 90 HH TYR 90 16.439 -19.884 -2.135 697 H ASN 91 HN ASN 91 14.816 -11.553 -4.334 698 HA ASN 91 HA ASN 91 17.706 -12.269 -3.940 699 1HB ASN 91 HB2 ASN 91 16.534 -11.048 -6.302 700 2HB ASN 91 HB1 ASN 91 17.810 -10.047 -5.594 701 1HD2 ASN 91 HD21 ASN 91 19.985 -10.873 -5.650 702 2HD2 ASN 91 HD22 ASN 91 20.399 -12.284 -6.497 703 HA PRO 92 HA PRO 92 17.222 -7.946 -2.044 704 1HB PRO 92 HB2 PRO 92 15.118 -6.307 -2.640 705 2HB PRO 92 HB1 PRO 92 16.540 -6.433 -3.688 706 1HG PRO 92 HG2 PRO 92 13.803 -7.531 -4.093 707 2HG PRO 92 HG1 PRO 92 15.007 -7.068 -5.302 708 1HD PRO 92 HD2 PRO 92 14.422 -9.729 -4.431 709 2HD PRO 92 HD1 PRO 92 15.762 -9.198 -5.443 710 H LEU 93 HN LEU 93 14.136 -9.658 -2.203 711 HA LEU 93 HA LEU 93 12.861 -8.420 -0.030 712 1HB LEU 93 HB2 LEU 93 12.809 -11.429 -0.242 713 2HB LEU 93 HB1 LEU 93 11.510 -10.324 0.210 714 HG LEU 93 HG LEU 93 12.003 -9.402 -2.310 715 1HD1 LEU 93 HD11 LEU 93 13.756 -11.340 -2.454 716 2HD1 LEU 93 HD12 LEU 93 12.648 -11.087 -3.808 717 3HD1 LEU 93 HD13 LEU 93 12.345 -12.382 -2.653 718 1HD2 LEU 93 HD21 LEU 93 9.782 -9.969 -1.726 719 2HD2 LEU 93 HD22 LEU 93 10.206 -11.629 -1.314 720 3HD2 LEU 93 HD23 LEU 93 10.154 -11.129 -2.999 721 H ALA 94 HN ALA 94 14.934 -11.213 0.053 722 HA ALA 94 HA ALA 94 15.612 -12.173 2.333 723 1HB ALA 94 HB1 ALA 94 17.804 -10.367 1.333 724 2HB ALA 94 HB2 ALA 94 17.246 -11.737 0.371 725 3HB ALA 94 HB3 ALA 94 17.926 -12.006 1.979 726 H GLY 95 HN GLY 95 16.471 -8.745 1.915 727 1HA GLY 95 HA2 GLY 95 16.874 -8.221 4.734 728 2HA GLY 95 HA1 GLY 95 16.635 -6.996 3.479 729 HA PRO 96 HA PRO 96 12.815 -7.207 5.972 730 1HB PRO 96 HB2 PRO 96 12.530 -4.326 6.000 731 2HB PRO 96 HB1 PRO 96 12.993 -5.367 7.354 732 1HG PRO 96 HG2 PRO 96 14.703 -3.578 5.829 733 2HG PRO 96 HG1 PRO 96 15.142 -4.570 7.224 734 1HD PRO 96 HD2 PRO 96 15.811 -5.037 4.425 735 2HD PRO 96 HD1 PRO 96 16.314 -5.980 5.839 736 H LEU 97 HN LEU 97 10.468 -6.120 5.129 737 HA LEU 97 HA LEU 97 10.497 -6.393 2.251 738 1HB LEU 97 HB2 LEU 97 8.173 -5.200 3.771 739 2HB LEU 97 HB1 LEU 97 8.150 -6.235 2.346 740 HG LEU 97 HG LEU 97 9.386 -7.911 4.146 741 1HD1 LEU 97 HD11 LEU 97 8.888 -6.041 5.897 742 2HD1 LEU 97 HD12 LEU 97 8.511 -7.710 6.318 743 3HD1 LEU 97 HD13 LEU 97 7.225 -6.616 5.810 744 1HD2 LEU 97 HD21 LEU 97 6.383 -7.575 3.824 745 2HD2 LEU 97 HD22 LEU 97 7.212 -9.039 4.355 746 3HD2 LEU 97 HD23 LEU 97 7.434 -8.448 2.708 747 H ARG 98 HN ARG 98 9.527 -3.569 4.287 748 HA ARG 98 HA ARG 98 9.202 -1.576 2.481 749 1HB ARG 98 HB2 ARG 98 10.794 -1.532 5.045 750 2HB ARG 98 HB1 ARG 98 10.548 -0.061 4.105 751 1HG ARG 98 HG2 ARG 98 8.188 -0.161 4.361 752 2HG ARG 98 HG1 ARG 98 8.239 -1.834 4.919 753 1HD ARG 98 HD2 ARG 98 9.409 0.537 6.407 754 2HD ARG 98 HD1 ARG 98 7.877 -0.246 6.793 755 HE ARG 98 HE ARG 98 9.706 -2.323 6.853 756 1HH1 ARG 98 HH21 ARG 98 9.429 0.804 8.277 757 2HH1 ARG 98 HH22 ARG 98 10.280 0.369 9.721 758 1HH2 ARG 98 HH11 ARG 98 10.818 -2.911 8.733 759 2HH2 ARG 98 HH12 ARG 98 11.065 -1.735 9.980 760 H VAL 99 HN VAL 99 12.064 -3.296 3.056 761 HA VAL 99 HA VAL 99 13.908 -1.497 1.570 762 HB VAL 99 HB VAL 99 14.170 -4.046 3.151 763 1HG1 VAL 99 HG11 VAL 99 15.378 -4.730 1.196 764 2HG1 VAL 99 HG12 VAL 99 16.600 -4.143 2.323 765 3HG1 VAL 99 HG13 VAL 99 16.081 -3.127 0.979 766 1HG2 VAL 99 HG21 VAL 99 14.542 -1.877 4.242 767 2HG2 VAL 99 HG22 VAL 99 15.729 -1.436 3.016 768 3HG2 VAL 99 HG23 VAL 99 16.070 -2.750 4.135 769 H GLN 100 HN GLN 100 12.349 -4.661 1.133 770 HA GLN 100 HA GLN 100 13.510 -5.437 -1.256 771 1HB GLN 100 HB2 GLN 100 11.772 -6.950 -1.492 772 2HB GLN 100 HB1 GLN 100 11.577 -6.515 0.199 773 1HG GLN 100 HG2 GLN 100 9.873 -4.796 -0.520 774 2HG GLN 100 HG1 GLN 100 9.986 -5.450 -2.152 775 1HE2 GLN 100 HE21 GLN 100 7.538 -5.574 -0.682 776 2HE2 GLN 100 HE22 GLN 100 7.211 -7.200 -0.321 777 H ALA 101 HN ALA 101 10.619 -3.293 -1.009 778 HA ALA 101 HA ALA 101 10.890 -2.731 -3.897 779 1HB ALA 101 HB1 ALA 101 8.886 -1.800 -1.811 780 2HB ALA 101 HB2 ALA 101 8.629 -3.039 -3.041 781 3HB ALA 101 HB3 ALA 101 8.811 -1.351 -3.516 782 H ASN 102 HN ASN 102 11.450 -0.988 -0.861 783 HA ASN 102 HA ASN 102 11.833 1.568 -2.155 784 1HB ASN 102 HB2 ASN 102 11.457 1.279 0.317 785 2HB ASN 102 HB1 ASN 102 13.093 0.624 0.437 786 1HD2 ASN 102 HD21 ASN 102 14.843 2.109 0.430 787 2HD2 ASN 102 HD22 ASN 102 14.645 3.789 0.281 788 H ASN 103 HN ASN 103 13.149 -0.479 -3.621 789 HA ASN 103 HA ASN 103 16.044 0.193 -3.226 790 1HB ASN 103 HB2 ASN 103 15.474 -2.200 -2.892 791 2HB ASN 103 HB1 ASN 103 14.837 -2.250 -4.536 792 1HD2 ASN 103 HD21 ASN 103 17.026 -3.913 -3.839 793 2HD2 ASN 103 HD22 ASN 103 18.420 -3.354 -4.631 794 HA PRO 104 HA PRO 104 14.817 2.249 -7.185 795 1HB PRO 104 HB2 PRO 104 17.533 3.364 -7.179 796 2HB PRO 104 HB1 PRO 104 15.985 4.216 -7.090 797 1HG PRO 104 HG2 PRO 104 17.817 3.902 -4.958 798 2HG PRO 104 HG1 PRO 104 16.136 4.438 -4.809 799 1HD PRO 104 HD2 PRO 104 17.313 1.861 -4.043 800 2HD PRO 104 HD1 PRO 104 15.708 2.508 -3.637 801 H GLN 105 HN GLN 105 17.624 0.294 -6.368 802 HA GLN 105 HA GLN 105 18.400 -0.117 -9.153 803 1HB GLN 105 HB2 GLN 105 19.143 -1.768 -6.718 804 2HB GLN 105 HB1 GLN 105 19.988 -1.729 -8.266 805 1HG GLN 105 HG2 GLN 105 19.655 0.644 -6.407 806 2HG GLN 105 HG1 GLN 105 21.123 -0.323 -6.563 807 1HE2 GLN 105 HE21 GLN 105 22.283 -0.221 -8.659 808 2HE2 GLN 105 HE22 GLN 105 22.041 1.091 -9.708 809 H GLN 106 HN GLN 106 17.112 -2.382 -6.679 810 HA GLN 106 HA GLN 106 16.099 -4.119 -8.861 811 1HB GLN 106 HB2 GLN 106 15.931 -4.529 -5.861 812 2HB GLN 106 HB1 GLN 106 15.676 -5.743 -7.116 813 1HG GLN 106 HG2 GLN 106 18.282 -4.259 -6.659 814 2HG GLN 106 HG1 GLN 106 17.946 -5.896 -6.095 815 1HE2 GLN 106 HE21 GLN 106 16.571 -6.953 -8.334 816 2HE2 GLN 106 HE22 GLN 106 17.624 -6.995 -9.664 817 H GLN 107 HN GLN 107 14.404 -2.672 -9.600 818 HA GLN 107 HA GLN 107 12.237 -2.014 -7.689 819 1HB GLN 107 HB2 GLN 107 13.019 -1.185 -10.453 820 2HB GLN 107 HB1 GLN 107 11.291 -1.163 -10.108 821 1HG GLN 107 HG2 GLN 107 11.587 0.344 -8.272 822 2HG GLN 107 HG1 GLN 107 13.340 0.157 -8.316 823 1HE2 GLN 107 HE21 GLN 107 13.663 2.471 -8.723 824 2HE2 GLN 107 HE22 GLN 107 13.291 3.157 -10.231 825 H GLY 108 HN GLY 108 13.042 -4.650 -9.650 826 1HA GLY 108 HA2 GLY 108 10.687 -5.460 -10.897 827 2HA GLY 108 HA1 GLY 108 11.782 -6.594 -10.109 828 H LEU 109 HN LEU 109 11.563 -6.229 -7.572 829 HA LEU 109 HA LEU 109 8.981 -7.263 -6.847 830 1HB LEU 109 HB2 LEU 109 11.193 -6.034 -5.204 831 2HB LEU 109 HB1 LEU 109 9.685 -6.575 -4.471 832 HG LEU 109 HG LEU 109 11.668 -8.228 -4.527 833 1HD1 LEU 109 HD11 LEU 109 10.099 -10.156 -5.084 834 2HD1 LEU 109 HD12 LEU 109 8.884 -8.943 -5.450 835 3HD1 LEU 109 HD13 LEU 109 9.560 -9.040 -3.833 836 1HD2 LEU 109 HD21 LEU 109 12.183 -7.813 -6.963 837 2HD2 LEU 109 HD22 LEU 109 10.700 -8.678 -7.365 838 3HD2 LEU 109 HD23 LEU 109 12.008 -9.511 -6.532 839 H ARG 110 HN ARG 110 10.281 -3.956 -6.445 840 HA ARG 110 HA ARG 110 8.097 -2.712 -5.298 841 1HB ARG 110 HB2 ARG 110 10.143 -1.499 -6.035 842 2HB ARG 110 HB1 ARG 110 9.575 -1.596 -7.700 843 1HG ARG 110 HG2 ARG 110 7.583 -0.302 -7.145 844 2HG ARG 110 HG1 ARG 110 8.043 -0.276 -5.443 845 1HD ARG 110 HD2 ARG 110 10.220 0.845 -6.213 846 2HD ARG 110 HD1 ARG 110 9.419 1.080 -7.766 847 HE ARG 110 HE ARG 110 7.611 2.098 -5.931 848 1HH1 ARG 110 HH21 ARG 110 10.950 2.541 -6.666 849 2HH1 ARG 110 HH22 ARG 110 10.976 4.200 -6.171 850 1HH2 ARG 110 HH11 ARG 110 7.626 4.262 -5.280 851 2HH2 ARG 110 HH12 ARG 110 9.094 5.175 -5.386 852 H ARG 111 HN ARG 111 8.272 -3.534 -8.784 853 HA ARG 111 HA ARG 111 5.494 -2.602 -9.168 854 1HB ARG 111 HB2 ARG 111 5.773 -3.681 -11.455 855 2HB ARG 111 HB1 ARG 111 6.928 -2.389 -11.118 856 1HG ARG 111 HG2 ARG 111 8.600 -4.047 -10.426 857 2HG ARG 111 HG1 ARG 111 7.447 -5.347 -10.744 858 1HD ARG 111 HD2 ARG 111 8.270 -3.362 -12.851 859 2HD ARG 111 HD1 ARG 111 9.151 -4.867 -12.573 860 HE ARG 111 HE ARG 111 6.509 -5.672 -12.853 861 1HH1 ARG 111 HH21 ARG 111 8.761 -3.783 -14.655 862 2HH1 ARG 111 HH22 ARG 111 8.083 -4.200 -16.193 863 1HH2 ARG 111 HH11 ARG 111 5.611 -6.227 -14.851 864 2HH2 ARG 111 HH12 ARG 111 6.299 -5.584 -16.304 865 H GLU 112 HN GLU 112 7.075 -5.716 -8.618 866 HA GLU 112 HA GLU 112 4.596 -7.178 -9.037 867 1HB GLU 112 HB2 GLU 112 7.010 -8.142 -8.908 868 2HB GLU 112 HB1 GLU 112 6.807 -8.045 -7.159 869 1HG GLU 112 HG2 GLU 112 6.130 -10.255 -7.794 870 2HG GLU 112 HG1 GLU 112 4.650 -9.360 -7.452 871 H TYR 113 HN TYR 113 6.088 -5.383 -6.494 872 HA TYR 113 HA TYR 113 4.543 -6.246 -4.259 873 1HB TYR 113 HB2 TYR 113 6.633 -4.809 -4.185 874 2HB TYR 113 HB1 TYR 113 5.622 -3.449 -4.673 875 HD1 TYR 113 HD1 TYR 113 5.864 -6.164 -2.107 876 HD2 TYR 113 HD2 TYR 113 4.420 -2.229 -3.051 877 HE1 TYR 113 HE1 TYR 113 5.135 -5.866 0.244 878 HE2 TYR 113 HE2 TYR 113 3.692 -1.932 -0.699 879 HH TYR 113 HH TYR 113 4.153 -4.527 1.708 880 H GLN 114 HN GLN 114 3.782 -4.017 -6.908 881 HA GLN 114 HA GLN 114 1.449 -2.921 -5.532 882 1HB GLN 114 HB2 GLN 114 1.851 -2.943 -8.524 883 2HB GLN 114 HB1 GLN 114 0.985 -1.762 -7.542 884 1HG GLN 114 HG2 GLN 114 3.967 -2.227 -7.500 885 2HG GLN 114 HG1 GLN 114 3.164 -0.881 -8.294 886 1HE2 GLN 114 HE21 GLN 114 3.354 -2.417 -5.026 887 2HE2 GLN 114 HE22 GLN 114 3.263 -0.950 -4.177 888 H GLN 115 HN GLN 115 2.249 -5.613 -7.595 889 HA GLN 115 HA GLN 115 -0.457 -6.323 -8.318 890 1HB GLN 115 HB2 GLN 115 2.015 -8.072 -8.183 891 2HB GLN 115 HB1 GLN 115 0.523 -8.451 -9.044 892 1HG GLN 115 HG2 GLN 115 2.193 -5.987 -9.606 893 2HG GLN 115 HG1 GLN 115 2.353 -7.497 -10.504 894 1HE2 GLN 115 HE21 GLN 115 1.309 -4.773 -11.401 895 2HE2 GLN 115 HE22 GLN 115 -0.230 -5.096 -12.040 896 H LEU 116 HN LEU 116 1.720 -7.398 -5.683 897 HA LEU 116 HA LEU 116 -0.338 -9.237 -4.663 898 1HB LEU 116 HB2 LEU 116 2.201 -8.387 -3.251 899 2HB LEU 116 HB1 LEU 116 1.279 -9.874 -3.027 900 HG LEU 116 HG LEU 116 2.788 -9.087 -5.538 901 1HD1 LEU 116 HD11 LEU 116 4.277 -9.754 -3.711 902 2HD1 LEU 116 HD12 LEU 116 4.220 -11.029 -4.928 903 3HD1 LEU 116 HD13 LEU 116 3.312 -11.202 -3.426 904 1HD2 LEU 116 HD21 LEU 116 1.016 -11.434 -4.830 905 2HD2 LEU 116 HD22 LEU 116 2.244 -11.556 -6.089 906 3HD2 LEU 116 HD23 LEU 116 0.933 -10.389 -6.249 907 H TRP 117 HN TRP 117 0.587 -5.957 -4.295 908 HA TRP 117 HA TRP 117 -0.617 -5.617 -1.637 909 1HB TRP 117 HB2 TRP 117 1.309 -4.233 -2.221 910 2HB TRP 117 HB1 TRP 117 0.478 -3.644 -3.654 911 HD1 TRP 117 HD1 TRP 117 -1.854 -2.230 -3.175 912 HE1 TRP 117 HE1 TRP 117 -2.375 -0.582 -1.265 913 HE3 TRP 117 HE3 TRP 117 1.763 -3.581 0.170 914 HZ2 TRP 117 HZ2 TRP 117 -1.394 0.076 1.334 915 HZ3 TRP 117 HZ3 TRP 117 1.948 -2.423 2.354 916 HH2 TRP 117 HH2 TRP 117 0.377 -0.596 2.939 917 H LEU 118 HN LEU 118 -1.460 -5.029 -5.056 918 HA LEU 118 HA LEU 118 -3.945 -3.639 -4.380 919 1HB LEU 118 HB2 LEU 118 -2.901 -4.879 -6.937 920 2HB LEU 118 HB1 LEU 118 -4.487 -4.117 -6.811 921 HG LEU 118 HG LEU 118 -1.872 -2.728 -6.133 922 1HD1 LEU 118 HD11 LEU 118 -3.597 -2.326 -8.587 923 2HD1 LEU 118 HD12 LEU 118 -2.166 -3.357 -8.570 924 3HD1 LEU 118 HD13 LEU 118 -2.010 -1.627 -8.263 925 1HD2 LEU 118 HD21 LEU 118 -3.539 -0.698 -6.536 926 2HD2 LEU 118 HD22 LEU 118 -3.489 -1.504 -4.978 927 3HD2 LEU 118 HD23 LEU 118 -4.766 -1.897 -6.129 928 H ALA 119 HN ALA 119 -2.953 -6.980 -4.804 929 HA ALA 119 HA ALA 119 -5.710 -8.013 -4.780 930 1HB ALA 119 HB1 ALA 119 -4.718 -10.134 -4.197 931 2HB ALA 119 HB2 ALA 119 -3.249 -9.358 -3.606 932 3HB ALA 119 HB3 ALA 119 -3.593 -9.393 -5.335 933 H ALA 120 HN ALA 120 -3.428 -8.255 -2.010 934 HA ALA 120 HA ALA 120 -5.331 -8.500 -0.039 935 1HB ALA 120 HB1 ALA 120 -2.705 -7.034 -0.059 936 2HB ALA 120 HB2 ALA 120 -3.106 -8.572 0.702 937 3HB ALA 120 HB3 ALA 120 -3.699 -7.060 1.399 938 H PHE 121 HN PHE 121 -5.220 -5.779 -2.115 939 HA PHE 121 HA PHE 121 -6.680 -4.127 -0.089 940 1HB PHE 121 HB2 PHE 121 -4.822 -3.409 -2.295 941 2HB PHE 121 HB1 PHE 121 -6.100 -2.272 -1.897 942 HD1 PHE 121 HD1 PHE 121 -5.536 -0.627 -0.335 943 HD2 PHE 121 HD2 PHE 121 -3.689 -4.497 -0.055 944 HE1 PHE 121 HE1 PHE 121 -4.250 0.130 1.643 945 HE2 PHE 121 HE2 PHE 121 -2.401 -3.736 1.923 946 HZ PHE 121 HZ PHE 121 -2.683 -1.424 2.772 947 H ALA 122 HN ALA 122 -6.672 -5.658 -3.156 948 HA ALA 122 HA ALA 122 -8.233 -4.381 -4.787 949 1HB ALA 122 HB1 ALA 122 -7.378 -6.337 -5.604 950 2HB ALA 122 HB2 ALA 122 -9.084 -6.774 -5.522 951 3HB ALA 122 HB3 ALA 122 -7.977 -7.291 -4.250 952 H ALA 123 HN ALA 123 -9.545 -7.191 -3.491 953 HA ALA 123 HA ALA 123 -12.351 -6.294 -3.054 954 1HB ALA 123 HB1 ALA 123 -11.755 -8.485 -4.228 955 2HB ALA 123 HB2 ALA 123 -12.894 -8.628 -2.888 956 3HB ALA 123 HB3 ALA 123 -11.201 -9.067 -2.657 957 H LEU 124 HN LEU 124 -10.592 -5.124 -1.324 958 HA LEU 124 HA LEU 124 -10.066 -6.503 1.019 959 1HB LEU 124 HB2 LEU 124 -9.917 -3.825 0.100 960 2HB LEU 124 HB1 LEU 124 -10.777 -3.751 1.639 961 HG LEU 124 HG LEU 124 -8.164 -5.228 1.274 962 1HD1 LEU 124 HD11 LEU 124 -7.009 -3.316 2.085 963 2HD1 LEU 124 HD12 LEU 124 -8.496 -2.536 2.623 964 3HD1 LEU 124 HD13 LEU 124 -8.128 -2.639 0.905 965 1HD2 LEU 124 HD21 LEU 124 -9.522 -4.176 3.761 966 2HD2 LEU 124 HD22 LEU 124 -8.143 -5.273 3.686 967 3HD2 LEU 124 HD23 LEU 124 -9.742 -5.821 3.181 968 HA PRO 125 HA PRO 125 -14.250 -4.438 2.543 969 1HB PRO 125 HB2 PRO 125 -15.987 -4.845 0.227 970 2HB PRO 125 HB1 PRO 125 -15.782 -3.400 1.235 971 1HG PRO 125 HG2 PRO 125 -14.767 -3.717 -1.380 972 2HG PRO 125 HG1 PRO 125 -14.291 -2.467 -0.226 973 1HD PRO 125 HD2 PRO 125 -12.764 -4.751 -1.132 974 2HD PRO 125 HD1 PRO 125 -12.207 -3.402 -0.135 975 H GLY 126 HN GLY 126 -14.605 -6.916 0.027 976 1HA GLY 126 HA2 GLY 126 -15.948 -8.649 2.006 977 2HA GLY 126 HA1 GLY 126 -15.700 -9.025 0.289 978 H SER 127 HN SER 127 -13.895 -8.525 3.314 979 HA SER 127 HA SER 127 -12.658 -10.966 3.415 980 1HB SER 127 HB2 SER 127 -11.371 -9.278 1.355 981 2HB SER 127 HB1 SER 127 -10.251 -10.126 2.416 982 HG SER 127 HG SER 127 -11.568 -11.099 0.372 983 H ALA 128 HN ALA 128 -10.766 -7.959 3.401 984 HA ALA 128 HA ALA 128 -10.266 -8.367 6.351 985 1HB ALA 128 HB1 ALA 128 -8.118 -6.988 5.691 986 2HB ALA 128 HB2 ALA 128 -8.493 -7.561 4.068 987 3HB ALA 128 HB3 ALA 128 -8.191 -8.716 5.360 988 H LYS 129 HN LYS 129 -12.470 -6.932 5.898 989 HA LYS 129 HA LYS 129 -11.647 -4.135 6.507 990 1HB LYS 129 HB2 LYS 129 -12.221 -4.672 4.008 991 2HB LYS 129 HB1 LYS 129 -13.874 -4.703 4.587 992 1HG LYS 129 HG2 LYS 129 -12.838 -2.317 5.673 993 2HG LYS 129 HG1 LYS 129 -12.126 -2.390 4.070 994 1HD LYS 129 HD2 LYS 129 -14.190 -2.257 2.990 995 2HD LYS 129 HD1 LYS 129 -15.079 -2.837 4.392 996 1HE LYS 129 HE2 LYS 129 -13.636 -0.182 4.293 997 2HE LYS 129 HE1 LYS 129 -15.353 -0.383 3.948 998 1HZ LYS 129 HZ1 LYS 129 -15.774 -0.379 6.106 999 2HZ LYS 129 HZ2 LYS 129 -14.128 -0.115 6.434 1000 3HZ LYS 129 HZ3 LYS 129 -14.738 -1.699 6.352 1001 H ASP 130 HN ASP 130 -14.284 -3.252 6.139 1002 HA ASP 130 HA ASP 130 -16.305 -4.641 7.634 1003 1HB ASP 130 HB2 ASP 130 -16.319 -2.933 9.555 1004 2HB ASP 130 HB1 ASP 130 -15.041 -4.148 9.619 1005 HA PRO 131 HA PRO 131 -17.358 -0.972 4.993 1006 1HB PRO 131 HB2 PRO 131 -18.547 -2.344 2.938 1007 2HB PRO 131 HB1 PRO 131 -16.794 -2.103 3.050 1008 1HG PRO 131 HG2 PRO 131 -18.360 -4.598 3.487 1009 2HG PRO 131 HG1 PRO 131 -16.650 -4.416 3.078 1010 1HD PRO 131 HD2 PRO 131 -17.781 -4.929 5.687 1011 2HD PRO 131 HD1 PRO 131 -16.071 -4.710 5.280 1012 H SER 132 HN SER 132 -19.330 -3.897 5.255 1013 HA SER 132 HA SER 132 -21.593 -2.897 6.704 1014 1HB SER 132 HB2 SER 132 -22.118 -1.429 4.902 1015 2HB SER 132 HB1 SER 132 -21.694 -2.637 3.693 1016 HG SER 132 HG SER 132 -23.725 -3.150 3.775 1017 H TRP 133 HN TRP 133 -19.894 -5.252 6.322 1018 HA TRP 133 HA TRP 133 -20.050 -7.564 6.203 1019 1HB TRP 133 HB2 TRP 133 -23.031 -7.174 6.536 1020 2HB TRP 133 HB1 TRP 133 -22.045 -8.524 7.100 1021 HD1 TRP 133 HD1 TRP 133 -19.752 -7.229 8.596 1022 HE1 TRP 133 HE1 TRP 133 -20.114 -5.804 10.713 1023 HE3 TRP 133 HE3 TRP 133 -24.653 -5.939 7.964 1024 HZ2 TRP 133 HZ2 TRP 133 -22.206 -4.314 11.973 1025 HZ3 TRP 133 HZ3 TRP 133 -25.804 -4.517 9.636 1026 HH2 TRP 133 HH2 TRP 133 -24.588 -3.704 11.638 1027 H ALA 134 HN ALA 134 -22.675 -6.072 4.282 1028 HA ALA 134 HA ALA 134 -23.530 -6.710 2.187 1029 1HB ALA 134 HB1 ALA 134 -20.718 -7.734 1.721 1030 2HB ALA 134 HB2 ALA 134 -21.141 -6.023 1.660 1031 3HB ALA 134 HB3 ALA 134 -21.862 -7.151 0.512 Start of MODEL 4 1 HT1 PRO 1 HT2 PRO 1 6.876 9.575 -0.214 2 HT2 PRO 1 HT1 PRO 1 6.868 10.889 0.858 3 HA PRO 1 HA PRO 1 7.933 8.327 1.267 4 1HB PRO 1 HB2 PRO 1 10.195 9.918 2.061 5 2HB PRO 1 HB1 PRO 1 10.160 8.609 0.870 6 1HG PRO 1 HG2 PRO 1 10.361 11.465 0.393 7 2HG PRO 1 HG1 PRO 1 10.461 10.144 -0.781 8 1HD PRO 1 HD2 PRO 1 8.290 11.972 -0.430 9 2HD PRO 1 HD1 PRO 1 8.347 10.576 -1.511 10 H VAL 2 HN VAL 2 8.601 8.226 3.631 11 HA VAL 2 HA VAL 2 7.606 10.500 5.276 12 HB VAL 2 HB VAL 2 6.647 7.629 5.450 13 1HG1 VAL 2 HG11 VAL 2 7.113 8.229 7.705 14 2HG1 VAL 2 HG12 VAL 2 5.383 8.498 7.484 15 3HG1 VAL 2 HG13 VAL 2 6.498 9.865 7.469 16 1HG2 VAL 2 HG21 VAL 2 5.083 10.213 5.355 17 2HG2 VAL 2 HG22 VAL 2 4.463 8.572 5.153 18 3HG2 VAL 2 HG23 VAL 2 5.497 9.284 3.913 19 H MET 3 HN MET 3 9.484 10.998 6.282 20 HA MET 3 HA MET 3 11.328 8.841 7.191 21 1HB MET 3 HB2 MET 3 11.899 11.751 7.532 22 2HB MET 3 HB1 MET 3 12.989 10.427 7.153 23 1HG MET 3 HG2 MET 3 11.673 10.249 4.918 24 2HG MET 3 HG1 MET 3 11.070 11.859 5.314 25 1HE MET 3 HE1 MET 3 14.116 11.728 2.577 26 2HE MET 3 HE2 MET 3 12.360 11.732 2.725 27 3HE MET 3 HE3 MET 3 13.265 10.269 3.105 28 H HIS 4 HN HIS 4 11.738 8.472 9.379 29 HA HIS 4 HA HIS 4 10.593 10.317 11.423 30 1HB HIS 4 HB2 HIS 4 9.618 8.390 12.648 31 2HB HIS 4 HB1 HIS 4 8.857 8.611 11.072 32 HD1 HIS 4 HD1 HIS 4 10.896 7.267 9.241 33 HD2 HIS 4 HD2 HIS 4 9.688 5.623 12.877 34 HE1 HIS 4 HE1 HIS 4 11.362 4.782 9.094 35 HA PRO 5 HA PRO 5 14.850 8.627 12.238 36 1HB PRO 5 HB2 PRO 5 15.754 11.264 12.981 37 2HB PRO 5 HB1 PRO 5 16.171 10.356 11.524 38 1HG PRO 5 HG2 PRO 5 14.469 12.687 11.710 39 2HG PRO 5 HG1 PRO 5 14.888 11.768 10.258 40 1HD PRO 5 HD2 PRO 5 12.362 11.771 11.720 41 2HD PRO 5 HD1 PRO 5 12.740 10.964 10.185 42 H HIS 6 HN HIS 6 13.406 7.750 14.023 43 HA HIS 6 HA HIS 6 12.912 7.479 16.296 44 1HB HIS 6 HB2 HIS 6 15.478 7.526 16.196 45 2HB HIS 6 HB1 HIS 6 15.359 9.185 16.780 46 HD1 HIS 6 HD1 HIS 6 16.727 7.410 18.706 47 HD2 HIS 6 HD2 HIS 6 12.567 7.662 18.611 48 HE1 HIS 6 HE1 HIS 6 15.910 6.623 20.970 49 H GLY 7 HN GLY 7 14.014 9.668 18.190 50 1HA GLY 7 HA2 GLY 7 11.720 10.949 18.936 51 2HA GLY 7 HA1 GLY 7 13.295 11.714 19.103 52 H ALA 8 HN ALA 8 13.547 11.760 16.026 53 HA ALA 8 HA ALA 8 12.670 14.396 15.668 54 1HB ALA 8 HB1 ALA 8 14.205 13.753 14.040 55 2HB ALA 8 HB2 ALA 8 12.717 13.614 13.108 56 3HB ALA 8 HB3 ALA 8 13.445 12.181 13.815 57 HA PRO 9 HA PRO 9 8.358 13.864 14.831 58 1HB PRO 9 HB2 PRO 9 7.988 15.862 12.845 59 2HB PRO 9 HB1 PRO 9 7.874 16.105 14.595 60 1HG PRO 9 HG2 PRO 9 9.913 17.110 12.808 61 2HG PRO 9 HG1 PRO 9 9.800 17.343 14.560 62 1HD PRO 9 HD2 PRO 9 11.534 15.509 13.054 63 2HD PRO 9 HD1 PRO 9 11.628 15.985 14.761 64 HA PRO 10 HA PRO 10 8.012 11.599 11.087 65 1HB PRO 10 HB2 PRO 10 5.369 12.192 10.258 66 2HB PRO 10 HB1 PRO 10 5.848 10.906 11.374 67 1HG PRO 10 HG2 PRO 10 4.507 13.452 11.984 68 2HG PRO 10 HG1 PRO 10 4.708 12.028 13.015 69 1HD PRO 10 HD2 PRO 10 6.146 14.509 13.202 70 2HD PRO 10 HD1 PRO 10 6.425 13.026 14.137 71 H ASN 11 HN ASN 11 9.406 12.733 9.575 72 HA ASN 11 HA ASN 11 8.508 15.231 8.362 73 1HB ASN 11 HB2 ASN 11 10.666 13.588 7.082 74 2HB ASN 11 HB1 ASN 11 10.573 15.329 7.303 75 1HD2 ASN 11 HD21 ASN 11 10.273 15.745 9.960 76 2HD2 ASN 11 HD22 ASN 11 11.512 15.011 10.860 77 H HIS 12 HN HIS 12 6.395 14.323 7.721 78 HA HIS 12 HA HIS 12 6.221 12.320 5.643 79 1HB HIS 12 HB2 HIS 12 3.868 13.173 5.397 80 2HB HIS 12 HB1 HIS 12 4.289 12.729 7.051 81 HD1 HIS 12 HD1 HIS 12 3.452 15.661 4.896 82 HD2 HIS 12 HD2 HIS 12 4.613 14.959 8.835 83 HE1 HIS 12 HE1 HIS 12 3.083 17.831 6.149 84 H ARG 13 HN ARG 13 5.614 12.736 3.391 85 HA ARG 13 HA ARG 13 6.599 15.396 2.395 86 1HB ARG 13 HB2 ARG 13 6.941 12.587 1.385 87 2HB ARG 13 HB1 ARG 13 6.982 13.923 0.239 88 1HG ARG 13 HG2 ARG 13 9.225 13.736 0.802 89 2HG ARG 13 HG1 ARG 13 8.702 14.973 1.934 90 1HD ARG 13 HD2 ARG 13 8.211 12.905 3.508 91 2HD ARG 13 HD1 ARG 13 9.349 12.067 2.458 92 HE ARG 13 HE ARG 13 10.034 13.857 4.560 93 1HH1 ARG 13 HH21 ARG 13 10.802 13.298 1.238 94 2HH1 ARG 13 HH22 ARG 13 12.245 14.248 1.286 95 1HH2 ARG 13 HH11 ARG 13 11.920 15.068 4.632 96 2HH2 ARG 13 HH12 ARG 13 12.883 15.239 3.203 97 HA PRO 14 HA PRO 14 2.170 15.075 1.243 98 1HB PRO 14 HB2 PRO 14 2.269 18.010 1.115 99 2HB PRO 14 HB1 PRO 14 1.271 16.992 2.143 100 1HG PRO 14 HG2 PRO 14 3.454 18.543 2.998 101 2HG PRO 14 HG1 PRO 14 2.712 17.222 3.914 102 1HD PRO 14 HD2 PRO 14 5.288 17.260 2.472 103 2HD PRO 14 HD1 PRO 14 4.718 16.129 3.715 104 H TRP 15 HN TRP 15 2.489 17.978 -0.441 105 HA TRP 15 HA TRP 15 2.540 18.359 -2.756 106 1HB TRP 15 HB2 TRP 15 4.972 18.233 -2.123 107 2HB TRP 15 HB1 TRP 15 4.949 16.528 -2.574 108 HD1 TRP 15 HD1 TRP 15 5.411 15.998 -5.022 109 HE1 TRP 15 HE1 TRP 15 5.490 17.352 -7.214 110 HE3 TRP 15 HE3 TRP 15 3.761 20.524 -3.324 111 HZ2 TRP 15 HZ2 TRP 15 4.927 20.005 -8.127 112 HZ3 TRP 15 HZ3 TRP 15 3.542 22.444 -4.875 113 HH2 TRP 15 HH2 TRP 15 4.122 22.191 -7.272 114 H GLN 16 HN GLN 16 0.818 16.190 -1.989 115 HA GLN 16 HA GLN 16 0.859 14.676 -4.539 116 1HB GLN 16 HB2 GLN 16 0.974 13.423 -1.796 117 2HB GLN 16 HB1 GLN 16 0.341 12.557 -3.196 118 1HG GLN 16 HG2 GLN 16 2.468 12.913 -4.389 119 2HG GLN 16 HG1 GLN 16 3.110 13.782 -2.994 120 1HE2 GLN 16 HE21 GLN 16 3.921 12.540 -1.238 121 2HE2 GLN 16 HE22 GLN 16 3.906 10.842 -1.209 122 H MET 17 HN MET 17 -0.814 16.536 -2.435 123 HA MET 17 HA MET 17 -3.289 15.398 -1.866 124 1HB MET 17 HB2 MET 17 -4.275 17.639 -2.294 125 2HB MET 17 HB1 MET 17 -2.779 17.745 -1.366 126 1HG MET 17 HG2 MET 17 -1.556 18.140 -3.538 127 2HG MET 17 HG1 MET 17 -3.127 18.248 -4.333 128 1HE MET 17 HE1 MET 17 -1.062 21.206 -1.562 129 2HE MET 17 HE2 MET 17 -0.355 20.008 -2.642 130 3HE MET 17 HE3 MET 17 -1.186 19.484 -1.180 131 H LYS 18 HN LYS 18 -2.025 16.338 -4.991 132 HA LYS 18 HA LYS 18 -4.484 16.005 -6.467 133 1HB LYS 18 HB2 LYS 18 -2.985 15.834 -8.464 134 2HB LYS 18 HB1 LYS 18 -2.624 17.234 -7.453 135 1HG LYS 18 HG2 LYS 18 -0.824 15.918 -6.335 136 2HG LYS 18 HG1 LYS 18 -1.145 14.586 -7.447 137 1HD LYS 18 HD2 LYS 18 -0.604 16.027 -9.361 138 2HD LYS 18 HD1 LYS 18 -0.326 17.387 -8.273 139 1HE LYS 18 HE2 LYS 18 1.786 16.224 -8.974 140 2HE LYS 18 HE1 LYS 18 1.541 16.243 -7.227 141 1HZ LYS 18 HZ1 LYS 18 0.861 14.021 -7.231 142 2HZ LYS 18 HZ2 LYS 18 2.208 14.052 -8.267 143 3HZ LYS 18 HZ3 LYS 18 0.637 13.987 -8.912 144 H ASP 19 HN ASP 19 -1.941 13.823 -5.454 145 HA ASP 19 HA ASP 19 -2.522 11.576 -7.068 146 1HB ASP 19 HB2 ASP 19 -0.548 11.805 -5.595 147 2HB ASP 19 HB1 ASP 19 -1.593 11.602 -4.190 148 H LEU 20 HN LEU 20 -3.297 11.655 -3.602 149 HA LEU 20 HA LEU 20 -5.332 9.702 -3.802 150 1HB LEU 20 HB2 LEU 20 -5.914 10.296 -1.498 151 2HB LEU 20 HB1 LEU 20 -4.171 10.189 -1.707 152 HG LEU 20 HG LEU 20 -4.588 12.861 -2.280 153 1HD1 LEU 20 HD11 LEU 20 -6.563 12.085 -0.108 154 2HD1 LEU 20 HD12 LEU 20 -6.968 12.770 -1.680 155 3HD1 LEU 20 HD13 LEU 20 -6.086 13.736 -0.500 156 1HD2 LEU 20 HD21 LEU 20 -2.870 12.048 -0.761 157 2HD2 LEU 20 HD22 LEU 20 -4.087 11.577 0.425 158 3HD2 LEU 20 HD23 LEU 20 -3.816 13.283 0.069 159 H GLN 21 HN GLN 21 -5.567 13.261 -3.852 160 HA GLN 21 HA GLN 21 -8.301 13.636 -3.552 161 1HB GLN 21 HB2 GLN 21 -6.934 15.563 -3.961 162 2HB GLN 21 HB1 GLN 21 -6.422 14.949 -5.534 163 1HG GLN 21 HG2 GLN 21 -8.585 15.298 -6.480 164 2HG GLN 21 HG1 GLN 21 -9.318 15.541 -4.894 165 1HE2 GLN 21 HE21 GLN 21 -7.604 17.371 -3.689 166 2HE2 GLN 21 HE22 GLN 21 -7.555 18.809 -4.590 167 H ALA 22 HN ALA 22 -6.636 12.433 -6.454 168 HA ALA 22 HA ALA 22 -9.144 12.218 -7.932 169 1HB ALA 22 HB1 ALA 22 -7.659 10.625 -9.409 170 2HB ALA 22 HB2 ALA 22 -6.329 11.202 -8.402 171 3HB ALA 22 HB3 ALA 22 -7.258 12.342 -9.376 172 H ILE 23 HN ILE 23 -7.303 10.141 -5.758 173 HA ILE 23 HA ILE 23 -8.884 7.785 -6.361 174 HB ILE 23 HB ILE 23 -7.518 8.479 -3.743 175 1HG1 ILE 23 HG12 ILE 23 -6.453 6.866 -6.108 176 2HG1 ILE 23 HG11 ILE 23 -5.961 8.519 -5.726 177 1HG2 ILE 23 HG21 ILE 23 -9.230 6.606 -3.777 178 2HG2 ILE 23 HG22 ILE 23 -7.606 6.124 -3.299 179 3HG2 ILE 23 HG23 ILE 23 -8.180 5.784 -4.925 180 1HD1 ILE 23 HD11 ILE 23 -5.471 7.429 -3.325 181 2HD1 ILE 23 HD12 ILE 23 -4.290 7.352 -4.631 182 3HD1 ILE 23 HD13 ILE 23 -5.329 5.969 -4.302 183 H LYS 24 HN LYS 24 -9.030 10.001 -3.483 184 HA LYS 24 HA LYS 24 -11.448 9.344 -2.378 185 1HB LYS 24 HB2 LYS 24 -9.776 11.367 -1.977 186 2HB LYS 24 HB1 LYS 24 -10.947 12.245 -2.957 187 1HG LYS 24 HG2 LYS 24 -12.753 11.557 -1.412 188 2HG LYS 24 HG1 LYS 24 -11.577 10.677 -0.433 189 1HD LYS 24 HD2 LYS 24 -10.317 12.871 -0.184 190 2HD LYS 24 HD1 LYS 24 -11.721 13.664 -0.901 191 1HE LYS 24 HE2 LYS 24 -13.155 12.720 0.883 192 2HE LYS 24 HE1 LYS 24 -11.738 11.962 1.610 193 1HZ LYS 24 HZ1 LYS 24 -12.639 14.411 2.231 194 2HZ LYS 24 HZ2 LYS 24 -11.454 14.785 1.072 195 3HZ LYS 24 HZ3 LYS 24 -11.039 13.894 2.458 196 H GLN 25 HN GLN 25 -11.190 11.575 -5.172 197 HA GLN 25 HA GLN 25 -13.774 12.201 -5.638 198 1HB GLN 25 HB2 GLN 25 -11.654 11.317 -7.573 199 2HB GLN 25 HB1 GLN 25 -13.249 11.780 -8.164 200 1HG GLN 25 HG2 GLN 25 -11.629 13.539 -6.310 201 2HG GLN 25 HG1 GLN 25 -11.521 13.656 -8.066 202 1HE2 GLN 25 HE21 GLN 25 -13.630 14.140 -9.229 203 2HE2 GLN 25 HE22 GLN 25 -14.814 15.045 -8.418 204 H GLU 26 HN GLU 26 -12.226 9.114 -6.456 205 HA GLU 26 HA GLU 26 -14.744 7.893 -7.385 206 1HB GLU 26 HB2 GLU 26 -11.933 6.808 -7.187 207 2HB GLU 26 HB1 GLU 26 -13.296 5.950 -7.906 208 1HG GLU 26 HG2 GLU 26 -13.598 7.859 -9.496 209 2HG GLU 26 HG1 GLU 26 -12.140 8.596 -8.831 210 H VAL 27 HN VAL 27 -13.134 8.023 -4.265 211 HA VAL 27 HA VAL 27 -13.863 5.344 -3.514 212 HB VAL 27 HB VAL 27 -13.369 5.869 -1.270 213 1HG1 VAL 27 HG11 VAL 27 -11.366 5.728 -2.465 214 2HG1 VAL 27 HG12 VAL 27 -11.186 7.223 -1.561 215 3HG1 VAL 27 HG13 VAL 27 -11.611 7.269 -3.272 216 1HG2 VAL 27 HG21 VAL 27 -12.844 8.419 -0.746 217 2HG2 VAL 27 HG22 VAL 27 -14.492 7.808 -0.640 218 3HG2 VAL 27 HG23 VAL 27 -13.979 8.700 -2.059 219 H SER 28 HN SER 28 -15.231 8.513 -3.544 220 HA SER 28 HA SER 28 -17.618 7.992 -2.024 221 1HB SER 28 HB2 SER 28 -17.098 10.099 -4.164 222 2HB SER 28 HB1 SER 28 -18.509 10.082 -3.109 223 HG SER 28 HG SER 28 -15.827 10.637 -2.541 224 H GLN 29 HN GLN 29 -17.384 8.825 -5.456 225 HA GLN 29 HA GLN 29 -19.295 8.056 -6.980 226 1HB GLN 29 HB2 GLN 29 -16.992 8.032 -7.778 227 2HB GLN 29 HB1 GLN 29 -16.787 6.396 -7.154 228 1HG GLN 29 HG2 GLN 29 -19.033 7.057 -9.066 229 2HG GLN 29 HG1 GLN 29 -17.415 6.703 -9.666 230 1HE2 GLN 29 HE21 GLN 29 -20.349 5.258 -8.720 231 2HE2 GLN 29 HE22 GLN 29 -19.793 3.662 -8.565 232 H ALA 30 HN ALA 30 -17.541 5.342 -5.415 233 HA ALA 30 HA ALA 30 -19.844 3.517 -5.911 234 1HB ALA 30 HB1 ALA 30 -17.306 3.002 -6.232 235 2HB ALA 30 HB2 ALA 30 -18.349 1.761 -5.536 236 3HB ALA 30 HB3 ALA 30 -17.306 2.725 -4.488 237 H ALA 31 HN ALA 31 -19.330 1.783 -3.780 238 HA ALA 31 HA ALA 31 -20.813 3.132 -1.621 239 1HB ALA 31 HB1 ALA 31 -21.640 1.015 -1.341 240 2HB ALA 31 HB2 ALA 31 -20.024 0.410 -0.973 241 3HB ALA 31 HB3 ALA 31 -20.587 0.462 -2.641 242 HA PRO 32 HA PRO 32 -17.478 3.946 1.105 243 1HB PRO 32 HB2 PRO 32 -18.143 1.960 3.163 244 2HB PRO 32 HB1 PRO 32 -18.262 3.722 3.248 245 1HG PRO 32 HG2 PRO 32 -20.430 1.861 2.976 246 2HG PRO 32 HG1 PRO 32 -20.532 3.627 2.924 247 1HD PRO 32 HD2 PRO 32 -20.864 1.783 0.727 248 2HD PRO 32 HD1 PRO 32 -20.945 3.554 0.668 249 H GLY 33 HN GLY 33 -15.633 3.157 0.034 250 1HA GLY 33 HA2 GLY 33 -13.736 1.719 -0.099 251 2HA GLY 33 HA1 GLY 33 -14.612 0.530 0.876 252 H SER 34 HN SER 34 -15.587 -1.096 -0.140 253 HA SER 34 HA SER 34 -16.366 -2.513 -1.771 254 1HB SER 34 HB2 SER 34 -18.006 -1.466 -2.883 255 2HB SER 34 HB1 SER 34 -17.349 0.058 -2.314 256 HG SER 34 HG SER 34 -17.530 -0.140 -4.640 257 HA PRO 35 HA PRO 35 -13.118 -3.426 -4.649 258 1HB PRO 35 HB2 PRO 35 -14.669 -3.881 -7.044 259 2HB PRO 35 HB1 PRO 35 -14.033 -5.090 -5.918 260 1HG PRO 35 HG2 PRO 35 -16.786 -4.276 -6.258 261 2HG PRO 35 HG1 PRO 35 -16.146 -5.480 -5.130 262 1HD PRO 35 HD2 PRO 35 -17.121 -2.818 -4.526 263 2HD PRO 35 HD1 PRO 35 -16.530 -4.049 -3.394 264 H GLN 36 HN GLN 36 -15.106 -0.737 -5.172 265 HA GLN 36 HA GLN 36 -13.915 0.136 -7.705 266 1HB GLN 36 HB2 GLN 36 -15.863 1.252 -5.730 267 2HB GLN 36 HB1 GLN 36 -15.196 2.307 -6.978 268 1HG GLN 36 HG2 GLN 36 -16.442 -0.375 -7.627 269 2HG GLN 36 HG1 GLN 36 -17.395 1.105 -7.565 270 1HE2 GLN 36 HE21 GLN 36 -14.313 1.991 -8.534 271 2HE2 GLN 36 HE22 GLN 36 -14.540 1.956 -10.216 272 H PHE 37 HN PHE 37 -13.523 1.029 -4.267 273 HA PHE 37 HA PHE 37 -11.442 3.081 -4.806 274 1HB PHE 37 HB2 PHE 37 -11.859 3.474 -2.579 275 2HB PHE 37 HB1 PHE 37 -12.973 2.115 -2.546 276 HD1 PHE 37 HD1 PHE 37 -10.123 3.408 -1.012 277 HD2 PHE 37 HD2 PHE 37 -11.672 -0.278 -2.586 278 HE1 PHE 37 HE1 PHE 37 -8.574 2.134 0.445 279 HE2 PHE 37 HE2 PHE 37 -10.121 -1.549 -1.131 280 HZ PHE 37 HZ PHE 37 -8.573 -0.343 0.386 281 H MET 38 HN MET 38 -11.703 -0.098 -5.258 282 HA MET 38 HA MET 38 -8.803 -0.671 -4.879 283 1HB MET 38 HB2 MET 38 -9.719 -2.724 -4.508 284 2HB MET 38 HB1 MET 38 -11.283 -2.170 -5.052 285 1HG MET 38 HG2 MET 38 -10.653 -2.625 -7.395 286 2HG MET 38 HG1 MET 38 -9.066 -3.180 -6.859 287 1HE MET 38 HE1 MET 38 -10.602 -6.523 -7.868 288 2HE MET 38 HE2 MET 38 -9.192 -5.468 -7.904 289 3HE MET 38 HE3 MET 38 -10.691 -4.950 -8.671 290 H GLN 39 HN GLN 39 -11.126 0.223 -7.277 291 HA GLN 39 HA GLN 39 -9.550 -0.528 -9.575 292 1HB GLN 39 HB2 GLN 39 -12.039 -0.132 -9.528 293 2HB GLN 39 HB1 GLN 39 -11.696 1.596 -9.431 294 1HG GLN 39 HG2 GLN 39 -12.028 1.084 -11.751 295 2HG GLN 39 HG1 GLN 39 -10.298 1.331 -11.525 296 1HE2 GLN 39 HE21 GLN 39 -12.772 -1.257 -11.785 297 2HE2 GLN 39 HE22 GLN 39 -11.692 -2.447 -12.332 298 H THR 40 HN THR 40 -10.078 2.539 -7.820 299 HA THR 40 HA THR 40 -8.149 3.991 -9.547 300 HB THR 40 HB THR 40 -10.037 5.220 -8.705 301 HG1 THR 40 HG1 THR 40 -7.510 5.812 -8.072 302 1HG2 THR 40 HG21 THR 40 -10.812 4.071 -6.830 303 2HG2 THR 40 HG22 THR 40 -10.163 5.557 -6.139 304 3HG2 THR 40 HG23 THR 40 -9.227 4.067 -6.064 305 H ILE 41 HN ILE 41 -8.142 2.426 -6.458 306 HA ILE 41 HA ILE 41 -5.472 3.490 -5.798 307 HB ILE 41 HB ILE 41 -7.103 1.161 -4.748 308 1HG1 ILE 41 HG12 ILE 41 -7.445 3.719 -4.161 309 2HG1 ILE 41 HG11 ILE 41 -7.540 2.501 -2.897 310 1HG2 ILE 41 HG21 ILE 41 -4.219 1.846 -4.244 311 2HG2 ILE 41 HG22 ILE 41 -4.959 0.264 -4.488 312 3HG2 ILE 41 HG23 ILE 41 -5.182 1.116 -2.962 313 1HD1 ILE 41 HD11 ILE 41 -6.050 4.612 -2.482 314 2HD1 ILE 41 HD12 ILE 41 -4.899 3.800 -3.545 315 3HD1 ILE 41 HD13 ILE 41 -5.412 3.025 -2.049 316 H ARG 42 HN ARG 42 -6.782 1.163 -7.895 317 HA ARG 42 HA ARG 42 -4.448 -0.512 -8.138 318 1HB ARG 42 HB2 ARG 42 -6.765 -1.013 -9.095 319 2HB ARG 42 HB1 ARG 42 -6.380 0.150 -10.361 320 1HG ARG 42 HG2 ARG 42 -4.409 -1.151 -10.996 321 2HG ARG 42 HG1 ARG 42 -4.718 -2.293 -9.688 322 1HD ARG 42 HD2 ARG 42 -6.912 -2.844 -10.720 323 2HD ARG 42 HD1 ARG 42 -6.537 -1.754 -12.055 324 HE ARG 42 HE ARG 42 -4.372 -3.482 -11.988 325 1HH1 ARG 42 HH21 ARG 42 -7.805 -3.774 -12.113 326 2HH1 ARG 42 HH22 ARG 42 -7.779 -5.253 -13.015 327 1HH2 ARG 42 HH11 ARG 42 -4.318 -5.411 -13.164 328 2HH2 ARG 42 HH12 ARG 42 -5.805 -6.180 -13.610 329 H LEU 43 HN LEU 43 -5.691 2.230 -10.070 330 HA LEU 43 HA LEU 43 -3.237 2.435 -11.600 331 1HB LEU 43 HB2 LEU 43 -5.366 4.564 -11.385 332 2HB LEU 43 HB1 LEU 43 -4.302 4.212 -12.747 333 HG LEU 43 HG LEU 43 -6.507 2.406 -11.706 334 1HD1 LEU 43 HD11 LEU 43 -6.240 4.068 -14.229 335 2HD1 LEU 43 HD12 LEU 43 -7.384 4.337 -12.914 336 3HD1 LEU 43 HD13 LEU 43 -7.528 2.902 -13.929 337 1HD2 LEU 43 HD21 LEU 43 -4.431 2.101 -13.886 338 2HD2 LEU 43 HD22 LEU 43 -5.937 1.183 -13.903 339 3HD2 LEU 43 HD23 LEU 43 -4.800 0.987 -12.570 340 H ALA 44 HN ALA 44 -4.191 3.726 -8.514 341 HA ALA 44 HA ALA 44 -2.244 5.986 -8.767 342 1HB ALA 44 HB1 ALA 44 -2.981 6.676 -6.587 343 2HB ALA 44 HB2 ALA 44 -3.708 5.102 -6.261 344 3HB ALA 44 HB3 ALA 44 -4.439 6.182 -7.448 345 H VAL 45 HN VAL 45 -2.489 2.965 -6.876 346 HA VAL 45 HA VAL 45 0.202 3.372 -5.841 347 HB VAL 45 HB VAL 45 -1.685 1.000 -5.789 348 1HG1 VAL 45 HG11 VAL 45 -0.049 0.175 -4.005 349 2HG1 VAL 45 HG12 VAL 45 1.089 1.364 -4.639 350 3HG1 VAL 45 HG13 VAL 45 0.507 0.062 -5.675 351 1HG2 VAL 45 HG21 VAL 45 -2.233 3.076 -4.445 352 2HG2 VAL 45 HG22 VAL 45 -0.728 2.819 -3.561 353 3HG2 VAL 45 HG23 VAL 45 -2.015 1.616 -3.479 354 H GLN 46 HN GLN 46 -1.244 1.744 -8.620 355 HA GLN 46 HA GLN 46 1.203 0.230 -9.180 356 1HB GLN 46 HB2 GLN 46 -1.114 -0.546 -9.825 357 2HB GLN 46 HB1 GLN 46 -1.124 0.731 -11.045 358 1HG GLN 46 HG2 GLN 46 0.833 -0.207 -12.123 359 2HG GLN 46 HG1 GLN 46 1.004 -1.413 -10.848 360 1HE2 GLN 46 HE21 GLN 46 0.365 -1.649 -13.871 361 2HE2 GLN 46 HE22 GLN 46 -1.018 -2.633 -13.912 362 H GLN 47 HN GLN 47 -0.015 3.414 -9.948 363 HA GLN 47 HA GLN 47 1.670 3.659 -12.329 364 1HB GLN 47 HB2 GLN 47 -0.110 5.586 -10.859 365 2HB GLN 47 HB1 GLN 47 0.905 6.095 -12.204 366 1HG GLN 47 HG2 GLN 47 -0.968 3.735 -12.450 367 2HG GLN 47 HG1 GLN 47 -1.502 5.383 -12.786 368 1HE2 GLN 47 HE21 GLN 47 -0.456 6.521 -14.614 369 2HE2 GLN 47 HE22 GLN 47 0.355 5.646 -15.821 370 H PHE 48 HN PHE 48 1.455 5.612 -9.347 371 HA PHE 48 HA PHE 48 4.232 6.520 -9.714 372 1HB PHE 48 HB2 PHE 48 2.483 8.103 -8.998 373 2HB PHE 48 HB1 PHE 48 2.205 7.141 -7.547 374 HD1 PHE 48 HD1 PHE 48 3.752 7.180 -5.691 375 HD2 PHE 48 HD2 PHE 48 4.616 9.322 -9.313 376 HE1 PHE 48 HE1 PHE 48 5.593 8.381 -4.542 377 HE2 PHE 48 HE2 PHE 48 6.457 10.522 -8.165 378 HZ PHE 48 HZ PHE 48 6.946 10.051 -5.779 379 H ASP 49 HN ASP 49 2.869 3.796 -8.366 380 HA ASP 49 HA ASP 49 3.456 2.490 -6.408 381 1HB ASP 49 HB2 ASP 49 6.063 2.791 -7.909 382 2HB ASP 49 HB1 ASP 49 5.595 1.440 -6.877 383 HA PRO 50 HA PRO 50 5.475 6.061 -4.114 384 1HB PRO 50 HB2 PRO 50 3.671 5.285 -1.927 385 2HB PRO 50 HB1 PRO 50 3.804 6.846 -2.752 386 1HG PRO 50 HG2 PRO 50 1.689 4.966 -3.052 387 2HG PRO 50 HG1 PRO 50 1.968 6.398 -4.053 388 1HD PRO 50 HD2 PRO 50 2.352 3.594 -4.765 389 2HD PRO 50 HD1 PRO 50 2.472 5.019 -5.818 390 H THR 51 HN THR 51 6.947 5.786 -2.268 391 HA THR 51 HA THR 51 8.035 3.114 -2.065 392 HB THR 51 HB THR 51 9.562 4.058 -0.412 393 HG1 THR 51 HG1 THR 51 7.544 5.982 -0.291 394 1HG2 THR 51 HG21 THR 51 8.907 5.855 -2.754 395 2HG2 THR 51 HG22 THR 51 10.153 4.610 -2.656 396 3HG2 THR 51 HG23 THR 51 10.322 6.103 -1.731 397 H ALA 52 HN ALA 52 8.433 2.370 0.463 398 HA ALA 52 HA ALA 52 5.784 1.668 1.346 399 1HB ALA 52 HB1 ALA 52 7.955 0.311 1.620 400 2HB ALA 52 HB2 ALA 52 6.849 0.334 2.991 401 3HB ALA 52 HB3 ALA 52 8.292 1.354 3.002 402 H LYS 53 HN LYS 53 8.044 4.170 2.004 403 HA LYS 53 HA LYS 53 6.897 5.035 4.559 404 1HB LYS 53 HB2 LYS 53 8.669 6.674 2.736 405 2HB LYS 53 HB1 LYS 53 8.503 6.781 4.485 406 1HG LYS 53 HG2 LYS 53 9.324 4.253 4.403 407 2HG LYS 53 HG1 LYS 53 10.001 4.758 2.855 408 1HD LYS 53 HD2 LYS 53 11.208 6.592 3.959 409 2HD LYS 53 HD1 LYS 53 10.502 6.139 5.509 410 1HE LYS 53 HE2 LYS 53 12.453 4.562 3.834 411 2HE LYS 53 HE1 LYS 53 12.668 5.162 5.477 412 1HZ LYS 53 HZ1 LYS 53 11.302 2.794 4.541 413 2HZ LYS 53 HZ2 LYS 53 10.459 3.672 5.726 414 3HZ LYS 53 HZ3 LYS 53 12.030 3.106 6.040 415 H ASP 54 HN ASP 54 6.674 5.853 1.147 416 HA ASP 54 HA ASP 54 4.735 8.067 1.598 417 1HB ASP 54 HB2 ASP 54 6.411 7.892 -0.410 418 2HB ASP 54 HB1 ASP 54 5.328 6.649 -1.013 419 H LEU 55 HN LEU 55 4.829 4.651 1.184 420 HA LEU 55 HA LEU 55 2.115 4.309 0.317 421 1HB LEU 55 HB2 LEU 55 3.770 2.432 0.434 422 2HB LEU 55 HB1 LEU 55 3.720 2.533 2.191 423 HG LEU 55 HG LEU 55 1.242 2.098 2.085 424 1HD1 LEU 55 HD11 LEU 55 0.526 2.674 -0.070 425 2HD1 LEU 55 HD12 LEU 55 0.604 0.920 -0.183 426 3HD1 LEU 55 HD13 LEU 55 1.906 1.903 -0.850 427 1HD2 LEU 55 HD21 LEU 55 2.996 0.322 2.472 428 2HD2 LEU 55 HD22 LEU 55 2.909 -0.054 0.751 429 3HD2 LEU 55 HD23 LEU 55 1.493 -0.283 1.777 430 H GLN 56 HN GLN 56 3.658 4.905 3.438 431 HA GLN 56 HA GLN 56 1.348 4.569 5.086 432 1HB GLN 56 HB2 GLN 56 3.830 6.261 5.452 433 2HB GLN 56 HB1 GLN 56 2.625 5.987 6.710 434 1HG GLN 56 HG2 GLN 56 3.036 3.595 6.662 435 2HG GLN 56 HG1 GLN 56 4.121 3.771 5.282 436 1HE2 GLN 56 HE21 GLN 56 3.778 4.604 8.748 437 2HE2 GLN 56 HE22 GLN 56 5.439 4.817 9.024 438 H ASP 57 HN ASP 57 2.907 7.699 4.300 439 HA ASP 57 HA ASP 57 0.886 9.415 5.081 440 1HB ASP 57 HB2 ASP 57 3.016 10.211 4.112 441 2HB ASP 57 HB1 ASP 57 2.484 9.684 2.514 442 H LEU 58 HN LEU 58 0.707 7.369 2.204 443 HA LEU 58 HA LEU 58 -1.866 8.675 1.439 444 1HB LEU 58 HB2 LEU 58 -0.151 6.490 0.231 445 2HB LEU 58 HB1 LEU 58 -1.805 6.737 -0.313 446 HG LEU 58 HG LEU 58 0.023 7.924 -1.651 447 1HD1 LEU 58 HD11 LEU 58 -1.366 9.747 -2.158 448 2HD1 LEU 58 HD12 LEU 58 -1.923 9.919 -0.497 449 3HD1 LEU 58 HD13 LEU 58 -2.493 8.575 -1.485 450 1HD2 LEU 58 HD21 LEU 58 1.039 9.894 -0.747 451 2HD2 LEU 58 HD22 LEU 58 1.270 8.625 0.454 452 3HD2 LEU 58 HD23 LEU 58 0.018 9.843 0.689 453 H LEU 59 HN LEU 59 -0.678 5.977 3.205 454 HA LEU 59 HA LEU 59 -3.382 4.724 3.355 455 1HB LEU 59 HB2 LEU 59 -1.183 3.385 3.163 456 2HB LEU 59 HB1 LEU 59 -0.862 3.909 4.812 457 HG LEU 59 HG LEU 59 -3.274 2.967 5.304 458 1HD1 LEU 59 HD11 LEU 59 -3.756 0.970 3.861 459 2HD1 LEU 59 HD12 LEU 59 -2.511 1.527 2.746 460 3HD1 LEU 59 HD13 LEU 59 -3.952 2.504 3.018 461 1HD2 LEU 59 HD21 LEU 59 -1.135 2.048 6.190 462 2HD2 LEU 59 HD22 LEU 59 -0.964 1.088 4.720 463 3HD2 LEU 59 HD23 LEU 59 -2.303 0.782 5.823 464 H GLN 60 HN GLN 60 -1.369 6.927 5.103 465 HA GLN 60 HA GLN 60 -2.889 6.518 7.620 466 1HB GLN 60 HB2 GLN 60 -0.540 8.216 6.790 467 2HB GLN 60 HB1 GLN 60 -1.359 8.494 8.326 468 1HG GLN 60 HG2 GLN 60 -0.406 5.736 7.527 469 2HG GLN 60 HG1 GLN 60 0.660 6.880 8.345 470 1HE2 GLN 60 HE21 GLN 60 -2.514 7.487 9.334 471 2HE2 GLN 60 HE22 GLN 60 -2.512 6.580 10.768 472 H TYR 61 HN TYR 61 -2.905 8.618 4.826 473 HA TYR 61 HA TYR 61 -4.613 10.632 6.226 474 1HB TYR 61 HB2 TYR 61 -3.127 10.605 3.594 475 2HB TYR 61 HB1 TYR 61 -4.377 11.803 3.921 476 HD1 TYR 61 HD1 TYR 61 -3.674 13.833 4.847 477 HD2 TYR 61 HD2 TYR 61 -1.419 10.267 5.668 478 HE1 TYR 61 HE1 TYR 61 -2.047 15.162 6.161 479 HE2 TYR 61 HE2 TYR 61 0.207 11.600 6.981 480 HH TYR 61 HH TYR 61 -0.288 15.079 7.531 481 H LEU 62 HN LEU 62 -4.597 8.678 3.228 482 HA LEU 62 HA LEU 62 -7.383 9.226 2.663 483 1HB LEU 62 HB2 LEU 62 -5.640 8.380 0.986 484 2HB LEU 62 HB1 LEU 62 -5.807 6.802 1.750 485 HG LEU 62 HG LEU 62 -8.275 6.905 1.293 486 1HD1 LEU 62 HD11 LEU 62 -7.449 9.536 0.104 487 2HD1 LEU 62 HD12 LEU 62 -8.929 9.101 0.956 488 3HD1 LEU 62 HD13 LEU 62 -8.711 8.621 -0.722 489 1HD2 LEU 62 HD21 LEU 62 -6.589 7.205 -1.208 490 2HD2 LEU 62 HD22 LEU 62 -8.057 6.247 -1.014 491 3HD2 LEU 62 HD23 LEU 62 -6.574 5.760 -0.195 492 H CYS 63 HN CYS 63 -5.816 7.039 4.839 493 HA CYS 63 HA CYS 63 -8.437 5.661 5.261 494 1HB CYS 63 HB2 CYS 63 -5.889 4.705 6.546 495 2HB CYS 63 HB1 CYS 63 -7.309 3.794 6.054 496 HG CYS 63 HG CYS 63 -5.046 3.757 4.374 497 H SER 64 HN SER 64 -7.062 4.945 8.022 498 HA SER 64 HA SER 64 -6.868 7.544 9.336 499 1HB SER 64 HB2 SER 64 -9.133 5.725 10.157 500 2HB SER 64 HB1 SER 64 -8.774 7.333 10.776 501 HG SER 64 HG SER 64 -9.878 6.541 8.325 502 H SER 65 HN SER 65 -7.573 4.102 10.106 503 HA SER 65 HA SER 65 -5.018 3.800 11.441 504 1HB SER 65 HB2 SER 65 -6.004 5.104 13.201 505 2HB SER 65 HB1 SER 65 -7.504 4.183 13.124 506 HG SER 65 HG SER 65 -4.940 3.181 13.841 507 H LEU 66 HN LEU 66 -8.241 2.445 12.263 508 HA LEU 66 HA LEU 66 -7.495 -0.203 12.495 509 1HB LEU 66 HB2 LEU 66 -10.024 1.098 11.508 510 2HB LEU 66 HB1 LEU 66 -9.895 -0.660 11.482 511 HG LEU 66 HG LEU 66 -9.191 0.854 14.001 512 1HD1 LEU 66 HD11 LEU 66 -11.550 0.561 14.743 513 2HD1 LEU 66 HD12 LEU 66 -11.975 0.044 13.111 514 3HD1 LEU 66 HD13 LEU 66 -11.406 1.689 13.395 515 1HD2 LEU 66 HD21 LEU 66 -8.674 -1.542 13.928 516 2HD2 LEU 66 HD22 LEU 66 -10.318 -1.907 13.408 517 3HD2 LEU 66 HD23 LEU 66 -10.026 -1.273 15.026 518 H VAL 67 HN VAL 67 -8.917 1.059 9.463 519 HA VAL 67 HA VAL 67 -8.624 -0.922 7.723 520 HB VAL 67 HB VAL 67 -7.340 1.705 6.982 521 1HG1 VAL 67 HG11 VAL 67 -7.322 -0.003 5.243 522 2HG1 VAL 67 HG12 VAL 67 -8.512 1.230 4.825 523 3HG1 VAL 67 HG13 VAL 67 -9.040 -0.315 5.491 524 1HG2 VAL 67 HG21 VAL 67 -9.332 2.303 8.195 525 2HG2 VAL 67 HG22 VAL 67 -10.260 1.023 7.413 526 3HG2 VAL 67 HG23 VAL 67 -9.725 2.421 6.480 527 H ALA 68 HN ALA 68 -5.779 1.013 8.756 528 HA ALA 68 HA ALA 68 -3.791 -0.329 7.234 529 1HB ALA 68 HB1 ALA 68 -2.205 0.460 8.963 530 2HB ALA 68 HB2 ALA 68 -3.559 0.857 10.020 531 3HB ALA 68 HB3 ALA 68 -3.333 1.738 8.509 532 H SER 69 HN SER 69 -5.268 -1.108 10.364 533 HA SER 69 HA SER 69 -3.687 -3.375 11.131 534 1HB SER 69 HB2 SER 69 -6.653 -2.971 11.517 535 2HB SER 69 HB1 SER 69 -5.571 -3.982 12.460 536 HG SER 69 HG SER 69 -5.970 -1.928 13.422 537 H LEU 70 HN LEU 70 -6.998 -3.553 9.951 538 HA LEU 70 HA LEU 70 -7.431 -6.016 9.114 539 1HB LEU 70 HB2 LEU 70 -8.157 -3.726 7.321 540 2HB LEU 70 HB1 LEU 70 -9.058 -5.200 7.666 541 HG LEU 70 HG LEU 70 -8.545 -2.867 9.525 542 1HD1 LEU 70 HD11 LEU 70 -11.031 -2.891 9.631 543 2HD1 LEU 70 HD12 LEU 70 -11.045 -4.200 8.450 544 3HD1 LEU 70 HD13 LEU 70 -10.429 -2.611 7.997 545 1HD2 LEU 70 HD21 LEU 70 -8.255 -4.779 10.930 546 2HD2 LEU 70 HD22 LEU 70 -9.536 -5.669 10.107 547 3HD2 LEU 70 HD23 LEU 70 -9.939 -4.302 11.146 548 H HIS 71 HN HIS 71 -6.634 -3.778 6.466 549 HA HIS 71 HA HIS 71 -6.179 -5.841 4.743 550 1HB HIS 71 HB2 HIS 71 -5.616 -4.259 3.075 551 2HB HIS 71 HB1 HIS 71 -6.564 -3.333 4.234 552 HD1 HIS 71 HD1 HIS 71 -2.905 -4.084 3.469 553 HD2 HIS 71 HD2 HIS 71 -5.245 -1.096 5.193 554 HE1 HIS 71 HE1 HIS 71 -1.341 -2.163 3.992 555 H HIS 72 HN HIS 72 -3.564 -3.875 6.333 556 HA HIS 72 HA HIS 72 -1.557 -5.369 5.057 557 1HB HIS 72 HB2 HIS 72 -0.967 -3.234 6.122 558 2HB HIS 72 HB1 HIS 72 -1.399 -3.876 7.707 559 HD1 HIS 72 HD1 HIS 72 1.242 -4.112 5.035 560 HD2 HIS 72 HD2 HIS 72 0.545 -5.578 8.874 561 HE1 HIS 72 HE1 HIS 72 3.411 -5.171 5.802 562 H GLN 73 HN GLN 73 -3.774 -6.254 7.294 563 HA GLN 73 HA GLN 73 -2.330 -8.197 8.875 564 1HB GLN 73 HB2 GLN 73 -4.847 -7.389 9.123 565 2HB GLN 73 HB1 GLN 73 -5.178 -8.697 7.986 566 1HG GLN 73 HG2 GLN 73 -3.707 -8.998 10.621 567 2HG GLN 73 HG1 GLN 73 -5.384 -9.462 10.329 568 1HE2 GLN 73 HE21 GLN 73 -5.787 -11.388 9.071 569 2HE2 GLN 73 HE22 GLN 73 -4.544 -12.456 8.628 570 H GLN 74 HN GLN 74 -4.320 -8.428 5.919 571 HA GLN 74 HA GLN 74 -3.838 -11.012 5.140 572 1HB GLN 74 HB2 GLN 74 -3.693 -8.586 3.321 573 2HB GLN 74 HB1 GLN 74 -3.974 -10.241 2.779 574 1HG GLN 74 HG2 GLN 74 -5.736 -8.769 4.760 575 2HG GLN 74 HG1 GLN 74 -6.088 -8.918 3.038 576 1HE2 GLN 74 HE21 GLN 74 -6.427 -11.174 2.195 577 2HE2 GLN 74 HE22 GLN 74 -6.973 -12.383 3.254 578 H LEU 75 HN LEU 75 -1.909 -8.320 3.693 579 HA LEU 75 HA LEU 75 0.454 -9.469 2.791 580 1HB LEU 75 HB2 LEU 75 -0.103 -6.949 4.302 581 2HB LEU 75 HB1 LEU 75 1.551 -7.369 3.876 582 HG LEU 75 HG LEU 75 -0.546 -7.521 1.711 583 1HD1 LEU 75 HD11 LEU 75 0.786 -4.929 2.545 584 2HD1 LEU 75 HD12 LEU 75 -0.909 -5.320 2.834 585 3HD1 LEU 75 HD13 LEU 75 -0.312 -5.167 1.188 586 1HD2 LEU 75 HD21 LEU 75 1.330 -6.953 0.292 587 2HD2 LEU 75 HD22 LEU 75 1.856 -8.223 1.397 588 3HD2 LEU 75 HD23 LEU 75 2.327 -6.550 1.690 589 H ASP 76 HN ASP 76 0.095 -8.441 6.189 590 HA ASP 76 HA ASP 76 2.280 -9.183 7.519 591 1HB ASP 76 HB2 ASP 76 -0.162 -8.829 8.375 592 2HB ASP 76 HB1 ASP 76 -0.208 -10.582 8.454 593 H SER 77 HN SER 77 -0.135 -11.753 7.133 594 HA SER 77 HA SER 77 1.851 -13.865 7.240 595 1HB SER 77 HB2 SER 77 -1.141 -13.810 6.796 596 2HB SER 77 HB1 SER 77 -0.188 -15.297 6.867 597 HG SER 77 HG SER 77 0.452 -14.713 8.964 598 H LEU 78 HN LEU 78 -0.021 -12.221 4.693 599 HA LEU 78 HA LEU 78 0.129 -14.150 2.722 600 1HB LEU 78 HB2 LEU 78 -0.603 -11.493 2.742 601 2HB LEU 78 HB1 LEU 78 0.832 -11.430 1.723 602 HG LEU 78 HG LEU 78 -1.380 -13.426 1.282 603 1HD1 LEU 78 HD11 LEU 78 -2.271 -11.081 1.144 604 2HD1 LEU 78 HD12 LEU 78 -2.297 -11.905 -0.414 605 3HD1 LEU 78 HD13 LEU 78 -1.042 -10.716 -0.068 606 1HD2 LEU 78 HD21 LEU 78 0.977 -13.691 0.293 607 2HD2 LEU 78 HD22 LEU 78 0.608 -12.269 -0.684 608 3HD2 LEU 78 HD23 LEU 78 -0.361 -13.732 -0.856 609 H ILE 79 HN ILE 79 2.625 -11.650 3.517 610 HA ILE 79 HA ILE 79 4.645 -12.583 1.789 611 HB ILE 79 HB ILE 79 4.346 -10.574 3.706 612 1HG1 ILE 79 HG12 ILE 79 6.693 -9.958 3.155 613 2HG1 ILE 79 HG11 ILE 79 6.938 -11.551 2.446 614 1HG2 ILE 79 HG21 ILE 79 6.234 -10.837 5.290 615 2HG2 ILE 79 HG22 ILE 79 6.416 -12.515 4.799 616 3HG2 ILE 79 HG23 ILE 79 4.935 -11.979 5.599 617 1HD1 ILE 79 HD11 ILE 79 6.140 -9.349 1.033 618 2HD1 ILE 79 HD12 ILE 79 4.581 -10.086 1.393 619 3HD1 ILE 79 HD13 ILE 79 5.819 -11.008 0.536 620 H SER 80 HN SER 80 4.030 -13.423 5.227 621 HA SER 80 HA SER 80 5.940 -15.417 5.520 622 1HB SER 80 HB2 SER 80 3.094 -15.742 6.491 623 2HB SER 80 HB1 SER 80 4.557 -16.395 7.221 624 HG SER 80 HG SER 80 3.655 -13.720 7.087 625 H GLU 81 HN GLU 81 2.612 -15.919 4.208 626 HA GLU 81 HA GLU 81 3.249 -18.661 3.512 627 1HB GLU 81 HB2 GLU 81 0.960 -17.885 4.073 628 2HB GLU 81 HB1 GLU 81 0.949 -16.920 2.596 629 1HG GLU 81 HG2 GLU 81 1.208 -18.927 1.233 630 2HG GLU 81 HG1 GLU 81 1.356 -19.924 2.680 631 H ALA 82 HN ALA 82 3.427 -15.569 1.727 632 HA ALA 82 HA ALA 82 3.375 -16.937 -0.751 633 1HB ALA 82 HB1 ALA 82 4.393 -14.715 -1.682 634 2HB ALA 82 HB2 ALA 82 4.219 -14.134 -0.024 635 3HB ALA 82 HB3 ALA 82 2.798 -14.658 -0.928 636 H GLU 83 HN GLU 83 5.985 -15.523 1.229 637 HA GLU 83 HA GLU 83 8.110 -16.089 -0.520 638 1HB GLU 83 HB2 GLU 83 9.608 -15.895 1.430 639 2HB GLU 83 HB1 GLU 83 8.355 -14.658 1.510 640 1HG GLU 83 HG2 GLU 83 8.345 -15.518 3.693 641 2HG GLU 83 HG1 GLU 83 7.040 -16.420 2.928 642 H THR 84 HN THR 84 6.389 -18.087 1.811 643 HA THR 84 HA THR 84 8.145 -20.318 1.853 644 HB THR 84 HB THR 84 5.318 -21.121 1.772 645 HG1 THR 84 HG1 THR 84 5.354 -19.585 3.884 646 1HG2 THR 84 HG21 THR 84 7.061 -20.845 4.223 647 2HG2 THR 84 HG22 THR 84 7.313 -22.146 3.058 648 3HG2 THR 84 HG23 THR 84 5.778 -22.016 3.916 649 H ARG 85 HN ARG 85 5.485 -19.512 -0.415 650 HA ARG 85 HA ARG 85 5.363 -21.668 -2.087 651 1HB ARG 85 HB2 ARG 85 4.124 -19.661 -2.638 652 2HB ARG 85 HB1 ARG 85 5.609 -18.774 -2.946 653 1HG ARG 85 HG2 ARG 85 5.305 -21.262 -4.552 654 2HG ARG 85 HG1 ARG 85 4.136 -19.999 -4.913 655 1HD ARG 85 HD2 ARG 85 5.914 -18.403 -5.388 656 2HD ARG 85 HD1 ARG 85 7.153 -19.545 -4.872 657 HE ARG 85 HE ARG 85 5.800 -20.892 -6.882 658 1HH1 ARG 85 HH21 ARG 85 7.336 -17.829 -6.504 659 2HH1 ARG 85 HH22 ARG 85 7.829 -17.722 -8.161 660 1HH2 ARG 85 HH11 ARG 85 6.437 -20.772 -9.047 661 2HH2 ARG 85 HH12 ARG 85 7.320 -19.389 -9.601 662 H GLY 86 HN GLY 86 8.181 -19.530 -1.780 663 1HA GLY 86 HA2 GLY 86 10.384 -20.259 -2.361 664 2HA GLY 86 HA1 GLY 86 9.697 -21.467 -3.446 665 H ILE 87 HN ILE 87 9.588 -17.878 -3.111 666 HA ILE 87 HA ILE 87 9.154 -17.392 -5.894 667 HB ILE 87 HB ILE 87 10.705 -15.469 -4.161 668 1HG1 ILE 87 HG12 ILE 87 9.020 -16.268 -2.645 669 2HG1 ILE 87 HG11 ILE 87 8.475 -14.710 -3.256 670 1HG2 ILE 87 HG21 ILE 87 10.257 -14.612 -6.339 671 2HG2 ILE 87 HG22 ILE 87 9.035 -13.882 -5.300 672 3HG2 ILE 87 HG23 ILE 87 8.608 -15.237 -6.336 673 1HD1 ILE 87 HD11 ILE 87 7.445 -17.456 -3.893 674 2HD1 ILE 87 HD12 ILE 87 7.260 -16.170 -5.086 675 3HD1 ILE 87 HD13 ILE 87 6.544 -15.999 -3.484 676 H THR 88 HN THR 88 11.622 -15.474 -5.715 677 HA THR 88 HA THR 88 13.509 -17.372 -7.076 678 HB THR 88 HB THR 88 14.691 -15.265 -7.775 679 HG1 THR 88 HG1 THR 88 13.638 -13.321 -7.374 680 1HG2 THR 88 HG21 THR 88 13.019 -14.591 -9.421 681 2HG2 THR 88 HG22 THR 88 11.737 -15.313 -8.449 682 3HG2 THR 88 HG23 THR 88 12.957 -16.339 -9.204 683 H SER 89 HN SER 89 13.460 -17.945 -4.510 684 HA SER 89 HA SER 89 14.623 -17.806 -2.397 685 1HB SER 89 HB2 SER 89 16.245 -18.957 -3.802 686 2HB SER 89 HB1 SER 89 16.799 -17.427 -4.475 687 HG SER 89 HG SER 89 18.132 -18.218 -2.759 688 H TYR 90 HN TYR 90 13.713 -15.218 -3.800 689 HA TYR 90 HA TYR 90 15.302 -13.106 -3.740 690 1HB TYR 90 HB2 TYR 90 12.510 -13.423 -2.798 691 2HB TYR 90 HB1 TYR 90 13.284 -11.902 -2.385 692 HD1 TYR 90 HD1 TYR 90 11.155 -13.214 -4.680 693 HD2 TYR 90 HD2 TYR 90 14.902 -11.102 -4.634 694 HE1 TYR 90 HE1 TYR 90 10.735 -12.407 -6.986 695 HE2 TYR 90 HE2 TYR 90 14.483 -10.312 -6.937 696 HH TYR 90 HH TYR 90 13.086 -11.135 -8.943 697 H ASN 91 HN ASN 91 16.731 -12.126 -2.447 698 HA ASN 91 HA ASN 91 16.744 -12.798 0.430 699 1HB ASN 91 HB2 ASN 91 18.835 -13.095 -0.839 700 2HB ASN 91 HB1 ASN 91 18.812 -11.385 -1.274 701 1HD2 ASN 91 HD21 ASN 91 19.470 -13.657 1.330 702 2HD2 ASN 91 HD22 ASN 91 20.058 -12.510 2.435 703 HA PRO 92 HA PRO 92 16.594 -7.938 0.099 704 1HB PRO 92 HB2 PRO 92 14.122 -7.558 -1.454 705 2HB PRO 92 HB1 PRO 92 15.690 -6.754 -1.639 706 1HG PRO 92 HG2 PRO 92 14.645 -8.722 -3.369 707 2HG PRO 92 HG1 PRO 92 16.337 -8.200 -3.309 708 1HD PRO 92 HD2 PRO 92 15.153 -10.704 -2.356 709 2HD PRO 92 HD1 PRO 92 16.864 -10.331 -2.613 710 H LEU 93 HN LEU 93 13.472 -9.675 -0.284 711 HA LEU 93 HA LEU 93 12.088 -8.314 1.764 712 1HB LEU 93 HB2 LEU 93 11.109 -10.886 2.153 713 2HB LEU 93 HB1 LEU 93 10.476 -9.739 0.994 714 HG LEU 93 HG LEU 93 12.791 -11.230 -0.099 715 1HD1 LEU 93 HD11 LEU 93 11.459 -13.354 -0.389 716 2HD1 LEU 93 HD12 LEU 93 10.379 -12.760 0.872 717 3HD1 LEU 93 HD13 LEU 93 12.076 -13.072 1.239 718 1HD2 LEU 93 HD21 LEU 93 11.357 -9.989 -1.567 719 2HD2 LEU 93 HD22 LEU 93 9.915 -10.784 -0.934 720 3HD2 LEU 93 HD23 LEU 93 11.066 -11.695 -1.898 721 H ALA 94 HN ALA 94 13.830 -11.325 2.003 722 HA ALA 94 HA ALA 94 14.148 -12.361 4.339 723 1HB ALA 94 HB1 ALA 94 15.973 -12.171 2.536 724 2HB ALA 94 HB2 ALA 94 16.466 -12.512 4.199 725 3HB ALA 94 HB3 ALA 94 16.636 -10.882 3.550 726 H GLY 95 HN GLY 95 15.427 -9.063 3.972 727 1HA GLY 95 HA2 GLY 95 15.656 -8.540 6.819 728 2HA GLY 95 HA1 GLY 95 15.702 -7.327 5.529 729 HA PRO 96 HA PRO 96 11.662 -6.947 7.557 730 1HB PRO 96 HB2 PRO 96 11.599 -4.071 7.287 731 2HB PRO 96 HB1 PRO 96 11.907 -4.993 8.767 732 1HG PRO 96 HG2 PRO 96 13.831 -3.509 7.147 733 2HG PRO 96 HG1 PRO 96 14.102 -4.316 8.696 734 1HD PRO 96 HD2 PRO 96 14.942 -5.215 6.063 735 2HD PRO 96 HD1 PRO 96 15.239 -6.000 7.622 736 H LEU 97 HN LEU 97 9.496 -5.713 6.385 737 HA LEU 97 HA LEU 97 9.767 -6.303 3.553 738 1HB LEU 97 HB2 LEU 97 7.526 -5.211 5.268 739 2HB LEU 97 HB1 LEU 97 7.375 -5.257 3.512 740 HG LEU 97 HG LEU 97 7.733 -7.665 3.495 741 1HD1 LEU 97 HD11 LEU 97 7.816 -8.819 5.796 742 2HD1 LEU 97 HD12 LEU 97 8.246 -7.235 6.443 743 3HD1 LEU 97 HD13 LEU 97 9.290 -8.017 5.255 744 1HD2 LEU 97 HD21 LEU 97 5.725 -8.373 4.771 745 2HD2 LEU 97 HD22 LEU 97 5.434 -6.875 3.886 746 3HD2 LEU 97 HD23 LEU 97 5.735 -6.828 5.623 747 H ARG 98 HN ARG 98 8.965 -3.240 5.275 748 HA ARG 98 HA ARG 98 8.951 -1.381 3.297 749 1HB ARG 98 HB2 ARG 98 10.406 -1.268 5.943 750 2HB ARG 98 HB1 ARG 98 10.337 0.133 4.875 751 1HG ARG 98 HG2 ARG 98 7.962 0.243 5.008 752 2HG ARG 98 HG1 ARG 98 7.852 -1.358 5.737 753 1HD ARG 98 HD2 ARG 98 9.096 -0.479 7.722 754 2HD ARG 98 HD1 ARG 98 9.049 1.127 6.995 755 HE ARG 98 HE ARG 98 6.392 0.333 7.030 756 1HH1 ARG 98 HH21 ARG 98 8.971 0.568 9.306 757 2HH1 ARG 98 HH22 ARG 98 7.931 0.904 10.650 758 1HH2 ARG 98 HH11 ARG 98 5.019 0.772 8.771 759 2HH2 ARG 98 HH12 ARG 98 5.694 1.020 10.347 760 H VAL 99 HN VAL 99 11.592 -3.333 4.183 761 HA VAL 99 HA VAL 99 13.675 -1.825 2.702 762 HB VAL 99 HB VAL 99 13.591 -4.269 4.453 763 1HG1 VAL 99 HG11 VAL 99 15.672 -3.801 2.287 764 2HG1 VAL 99 HG12 VAL 99 14.721 -5.260 2.568 765 3HG1 VAL 99 HG13 VAL 99 15.980 -4.794 3.712 766 1HG2 VAL 99 HG21 VAL 99 14.238 -2.074 5.357 767 2HG2 VAL 99 HG22 VAL 99 15.501 -1.917 4.139 768 3HG2 VAL 99 HG23 VAL 99 15.632 -3.152 5.383 769 H GLN 100 HN GLN 100 11.785 -4.787 2.343 770 HA GLN 100 HA GLN 100 12.768 -5.960 0.074 771 1HB GLN 100 HB2 GLN 100 10.679 -6.479 1.472 772 2HB GLN 100 HB1 GLN 100 9.833 -5.343 0.427 773 1HG GLN 100 HG2 GLN 100 10.750 -6.708 -1.515 774 2HG GLN 100 HG1 GLN 100 11.173 -7.926 -0.320 775 1HE2 GLN 100 HE21 GLN 100 9.228 -8.466 1.254 776 2HE2 GLN 100 HE22 GLN 100 7.703 -8.605 0.523 777 H ALA 101 HN ALA 101 10.273 -3.371 0.000 778 HA ALA 101 HA ALA 101 10.874 -2.969 -2.873 779 1HB ALA 101 HB1 ALA 101 8.953 -1.263 -2.647 780 2HB ALA 101 HB2 ALA 101 8.757 -1.876 -1.003 781 3HB ALA 101 HB3 ALA 101 8.537 -2.957 -2.382 782 H ASN 102 HN ASN 102 11.408 -1.176 0.140 783 HA ASN 102 HA ASN 102 12.164 1.263 -1.240 784 1HB ASN 102 HB2 ASN 102 11.570 1.129 1.217 785 2HB ASN 102 HB1 ASN 102 13.135 0.355 1.484 786 1HD2 ASN 102 HD21 ASN 102 14.950 1.716 1.664 787 2HD2 ASN 102 HD22 ASN 102 14.921 3.385 1.358 788 H ASN 103 HN ASN 103 13.342 -1.053 -2.455 789 HA ASN 103 HA ASN 103 16.260 -0.535 -1.979 790 1HB ASN 103 HB2 ASN 103 15.465 -2.774 -1.152 791 2HB ASN 103 HB1 ASN 103 15.016 -3.162 -2.814 792 1HD2 ASN 103 HD21 ASN 103 16.912 -2.828 -4.459 793 2HD2 ASN 103 HD22 ASN 103 18.456 -3.298 -3.934 794 HA PRO 104 HA PRO 104 15.053 0.551 -6.346 795 1HB PRO 104 HB2 PRO 104 17.552 2.099 -6.348 796 2HB PRO 104 HB1 PRO 104 15.894 2.666 -6.598 797 1HG PRO 104 HG2 PRO 104 17.455 3.125 -4.287 798 2HG PRO 104 HG1 PRO 104 15.706 3.365 -4.416 799 1HD PRO 104 HD2 PRO 104 17.167 1.252 -2.994 800 2HD PRO 104 HD1 PRO 104 15.441 1.666 -2.889 801 H GLN 105 HN GLN 105 18.183 -0.475 -4.995 802 HA GLN 105 HA GLN 105 19.324 -1.325 -7.484 803 1HB GLN 105 HB2 GLN 105 19.782 -2.304 -4.647 804 2HB GLN 105 HB1 GLN 105 20.756 -2.810 -6.027 805 1HG GLN 105 HG2 GLN 105 21.420 -0.496 -6.453 806 2HG GLN 105 HG1 GLN 105 20.378 0.067 -5.146 807 1HE2 GLN 105 HE21 GLN 105 21.634 0.567 -3.349 808 2HE2 GLN 105 HE22 GLN 105 22.975 -0.326 -2.815 809 H GLN 106 HN GLN 106 16.684 -2.468 -5.728 810 HA GLN 106 HA GLN 106 16.450 -4.835 -7.490 811 1HB GLN 106 HB2 GLN 106 16.193 -5.061 -4.471 812 2HB GLN 106 HB1 GLN 106 16.005 -6.365 -5.644 813 1HG GLN 106 HG2 GLN 106 18.394 -5.919 -6.370 814 2HG GLN 106 HG1 GLN 106 18.537 -4.843 -4.980 815 1HE2 GLN 106 HE21 GLN 106 18.681 -8.144 -5.981 816 2HE2 GLN 106 HE22 GLN 106 18.806 -8.834 -4.435 817 H GLN 107 HN GLN 107 14.813 -3.264 -8.295 818 HA GLN 107 HA GLN 107 12.539 -2.662 -6.530 819 1HB GLN 107 HB2 GLN 107 11.633 -1.506 -8.536 820 2HB GLN 107 HB1 GLN 107 13.267 -0.976 -8.135 821 1HG GLN 107 HG2 GLN 107 14.169 -2.563 -9.826 822 2HG GLN 107 HG1 GLN 107 12.517 -3.002 -10.263 823 1HE2 GLN 107 HE21 GLN 107 14.947 -0.444 -10.476 824 2HE2 GLN 107 HE22 GLN 107 14.085 0.532 -11.565 825 H GLY 108 HN GLY 108 13.372 -5.385 -8.338 826 1HA GLY 108 HA2 GLY 108 11.096 -6.151 -9.762 827 2HA GLY 108 HA1 GLY 108 12.059 -7.297 -8.829 828 H LEU 109 HN LEU 109 11.638 -6.784 -6.345 829 HA LEU 109 HA LEU 109 8.966 -7.673 -5.722 830 1HB LEU 109 HB2 LEU 109 11.015 -6.236 -4.029 831 2HB LEU 109 HB1 LEU 109 9.461 -6.782 -3.405 832 HG LEU 109 HG LEU 109 11.539 -8.334 -3.141 833 1HD1 LEU 109 HD11 LEU 109 10.092 -10.387 -3.572 834 2HD1 LEU 109 HD12 LEU 109 8.862 -9.294 -4.188 835 3HD1 LEU 109 HD13 LEU 109 9.387 -9.169 -2.519 836 1HD2 LEU 109 HD21 LEU 109 11.952 -9.861 -4.970 837 2HD2 LEU 109 HD22 LEU 109 12.252 -8.222 -5.526 838 3HD2 LEU 109 HD23 LEU 109 10.771 -9.062 -5.991 839 H ARG 110 HN ARG 110 10.292 -4.353 -5.631 840 HA ARG 110 HA ARG 110 8.054 -2.959 -4.837 841 1HB ARG 110 HB2 ARG 110 10.299 -2.039 -5.752 842 2HB ARG 110 HB1 ARG 110 9.504 -2.056 -7.326 843 1HG ARG 110 HG2 ARG 110 7.668 -0.666 -6.394 844 2HG ARG 110 HG1 ARG 110 8.529 -0.595 -4.856 845 1HD ARG 110 HD2 ARG 110 9.793 0.286 -7.457 846 2HD ARG 110 HD1 ARG 110 8.883 1.391 -6.427 847 HE ARG 110 HE ARG 110 10.718 0.228 -4.703 848 1HH1 ARG 110 HH21 ARG 110 10.812 1.874 -7.731 849 2HH1 ARG 110 HH22 ARG 110 12.382 2.555 -7.463 850 1HH2 ARG 110 HH11 ARG 110 12.767 1.109 -4.335 851 2HH2 ARG 110 HH12 ARG 110 13.489 2.122 -5.540 852 H ARG 111 HN ARG 111 8.452 -4.431 -8.080 853 HA ARG 111 HA ARG 111 5.747 -3.473 -8.844 854 1HB ARG 111 HB2 ARG 111 6.242 -4.725 -10.995 855 2HB ARG 111 HB1 ARG 111 7.330 -3.381 -10.642 856 1HG ARG 111 HG2 ARG 111 8.998 -4.901 -9.762 857 2HG ARG 111 HG1 ARG 111 7.900 -6.271 -9.960 858 1HD ARG 111 HD2 ARG 111 8.731 -4.538 -12.273 859 2HD ARG 111 HD1 ARG 111 9.668 -5.946 -11.768 860 HE ARG 111 HE ARG 111 7.079 -6.915 -12.025 861 1HH1 ARG 111 HH21 ARG 111 9.311 -5.170 -13.990 862 2HH1 ARG 111 HH22 ARG 111 8.716 -5.824 -15.479 863 1HH2 ARG 111 HH11 ARG 111 6.289 -7.779 -13.959 864 2HH2 ARG 111 HH12 ARG 111 7.005 -7.301 -15.462 865 H GLU 112 HN GLU 112 7.360 -6.551 -8.023 866 HA GLU 112 HA GLU 112 4.922 -8.084 -8.527 867 1HB GLU 112 HB2 GLU 112 7.224 -9.116 -8.556 868 2HB GLU 112 HB1 GLU 112 7.299 -8.869 -6.812 869 1HG GLU 112 HG2 GLU 112 5.201 -10.217 -6.573 870 2HG GLU 112 HG1 GLU 112 5.265 -10.549 -8.305 871 H TYR 113 HN TYR 113 6.657 -6.935 -5.660 872 HA TYR 113 HA TYR 113 4.982 -7.744 -3.592 873 1HB TYR 113 HB2 TYR 113 7.036 -6.380 -3.266 874 2HB TYR 113 HB1 TYR 113 6.189 -4.975 -3.912 875 HD1 TYR 113 HD1 TYR 113 5.928 -7.586 -1.238 876 HD2 TYR 113 HD2 TYR 113 4.953 -3.588 -2.472 877 HE1 TYR 113 HE1 TYR 113 4.994 -7.117 1.012 878 HE2 TYR 113 HE2 TYR 113 4.020 -3.120 -0.223 879 HH TYR 113 HH TYR 113 3.406 -4.024 1.734 880 H GLN 114 HN GLN 114 4.637 -4.542 -5.244 881 HA GLN 114 HA GLN 114 2.199 -3.761 -4.294 882 1HB GLN 114 HB2 GLN 114 3.221 -3.619 -7.132 883 2HB GLN 114 HB1 GLN 114 1.784 -2.760 -6.579 884 1HG GLN 114 HG2 GLN 114 4.424 -2.477 -5.138 885 2HG GLN 114 HG1 GLN 114 4.033 -1.476 -6.536 886 1HE2 GLN 114 HE21 GLN 114 4.117 0.353 -4.880 887 2HE2 GLN 114 HE22 GLN 114 2.726 0.664 -3.959 888 H GLN 115 HN GLN 115 2.688 -6.090 -6.939 889 HA GLN 115 HA GLN 115 -0.001 -6.553 -7.631 890 1HB GLN 115 HB2 GLN 115 2.192 -7.537 -8.645 891 2HB GLN 115 HB1 GLN 115 1.991 -8.818 -7.452 892 1HG GLN 115 HG2 GLN 115 -0.117 -7.995 -9.472 893 2HG GLN 115 HG1 GLN 115 0.951 -9.388 -9.644 894 1HE2 GLN 115 HE21 GLN 115 -2.050 -8.362 -8.349 895 2HE2 GLN 115 HE22 GLN 115 -2.362 -9.723 -7.384 896 H LEU 116 HN LEU 116 1.896 -7.851 -4.936 897 HA LEU 116 HA LEU 116 -0.343 -9.537 -4.013 898 1HB LEU 116 HB2 LEU 116 2.147 -8.834 -2.443 899 2HB LEU 116 HB1 LEU 116 1.133 -10.269 -2.295 900 HG LEU 116 HG LEU 116 2.855 -9.569 -4.693 901 1HD1 LEU 116 HD11 LEU 116 4.134 -11.592 -3.972 902 2HD1 LEU 116 HD12 LEU 116 3.144 -11.658 -2.513 903 3HD1 LEU 116 HD13 LEU 116 4.209 -10.280 -2.795 904 1HD2 LEU 116 HD21 LEU 116 0.964 -11.850 -4.077 905 2HD2 LEU 116 HD22 LEU 116 2.241 -11.996 -5.285 906 3HD2 LEU 116 HD23 LEU 116 0.969 -10.792 -5.488 907 H TRP 117 HN TRP 117 0.819 -6.333 -3.636 908 HA TRP 117 HA TRP 117 -0.410 -5.802 -1.065 909 1HB TRP 117 HB2 TRP 117 1.500 -4.513 -2.268 910 2HB TRP 117 HB1 TRP 117 0.205 -3.714 -3.159 911 HD1 TRP 117 HD1 TRP 117 1.856 -3.909 0.232 912 HE1 TRP 117 HE1 TRP 117 0.895 -2.070 1.760 913 HE3 TRP 117 HE3 TRP 117 -2.009 -2.273 -2.677 914 HZ2 TRP 117 HZ2 TRP 117 -1.225 -0.154 1.747 915 HZ3 TRP 117 HZ3 TRP 117 -3.478 -0.437 -1.898 916 HH2 TRP 117 HH2 TRP 117 -3.091 0.625 0.309 917 H LEU 118 HN LEU 118 -1.395 -5.460 -4.503 918 HA LEU 118 HA LEU 118 -3.900 -4.179 -3.781 919 1HB LEU 118 HB2 LEU 118 -2.789 -5.385 -6.318 920 2HB LEU 118 HB1 LEU 118 -4.480 -4.915 -6.217 921 HG LEU 118 HG LEU 118 -3.244 -3.108 -7.215 922 1HD1 LEU 118 HD11 LEU 118 -3.537 -1.998 -4.448 923 2HD1 LEU 118 HD12 LEU 118 -4.965 -2.676 -5.232 924 3HD1 LEU 118 HD13 LEU 118 -4.091 -1.348 -5.989 925 1HD2 LEU 118 HD21 LEU 118 -1.457 -3.147 -4.773 926 2HD2 LEU 118 HD22 LEU 118 -1.362 -1.995 -6.103 927 3HD2 LEU 118 HD23 LEU 118 -1.011 -3.697 -6.387 928 H ALA 119 HN ALA 119 -2.690 -7.443 -4.096 929 HA ALA 119 HA ALA 119 -5.319 -8.703 -4.212 930 1HB ALA 119 HB1 ALA 119 -4.151 -10.766 -3.703 931 2HB ALA 119 HB2 ALA 119 -2.753 -9.884 -3.087 932 3HB ALA 119 HB3 ALA 119 -3.122 -9.860 -4.812 933 H ALA 120 HN ALA 120 -3.471 -7.145 -1.786 934 HA ALA 120 HA ALA 120 -5.233 -8.260 0.370 935 1HB ALA 120 HB1 ALA 120 -2.969 -8.218 1.125 936 2HB ALA 120 HB2 ALA 120 -3.718 -6.783 1.835 937 3HB ALA 120 HB3 ALA 120 -2.683 -6.630 0.412 938 H PHE 121 HN PHE 121 -5.123 -5.830 -1.921 939 HA PHE 121 HA PHE 121 -6.640 -3.937 -0.186 940 1HB PHE 121 HB2 PHE 121 -4.399 -3.398 -1.696 941 2HB PHE 121 HB1 PHE 121 -5.690 -2.854 -2.759 942 HD1 PHE 121 HD1 PHE 121 -6.579 -0.695 -2.419 943 HD2 PHE 121 HD2 PHE 121 -4.573 -2.683 0.816 944 HE1 PHE 121 HE1 PHE 121 -6.790 1.346 -1.026 945 HE2 PHE 121 HE2 PHE 121 -4.788 -0.643 2.206 946 HZ PHE 121 HZ PHE 121 -5.897 1.374 1.284 947 H ALA 122 HN ALA 122 -6.794 -5.986 -2.971 948 HA ALA 122 HA ALA 122 -9.421 -4.800 -3.809 949 1HB ALA 122 HB1 ALA 122 -7.345 -6.493 -5.189 950 2HB ALA 122 HB2 ALA 122 -8.184 -5.072 -5.803 951 3HB ALA 122 HB3 ALA 122 -9.021 -6.622 -5.719 952 H ALA 123 HN ALA 123 -8.153 -7.698 -2.340 953 HA ALA 123 HA ALA 123 -10.908 -8.855 -2.492 954 1HB ALA 123 HB1 ALA 123 -8.815 -10.318 -2.625 955 2HB ALA 123 HB2 ALA 123 -9.957 -10.773 -1.360 956 3HB ALA 123 HB3 ALA 123 -8.496 -9.876 -0.948 957 H LEU 124 HN LEU 124 -9.974 -6.275 -1.194 958 HA LEU 124 HA LEU 124 -9.832 -6.609 1.504 959 1HB LEU 124 HB2 LEU 124 -10.112 -4.351 -0.267 960 2HB LEU 124 HB1 LEU 124 -11.015 -4.030 1.206 961 HG LEU 124 HG LEU 124 -8.144 -4.983 1.177 962 1HD1 LEU 124 HD11 LEU 124 -9.159 -2.184 1.745 963 2HD1 LEU 124 HD12 LEU 124 -8.539 -2.673 0.171 964 3HD1 LEU 124 HD13 LEU 124 -7.482 -2.702 1.583 965 1HD2 LEU 124 HD21 LEU 124 -9.870 -5.216 3.223 966 2HD2 LEU 124 HD22 LEU 124 -9.380 -3.552 3.496 967 3HD2 LEU 124 HD23 LEU 124 -8.172 -4.838 3.467 968 HA PRO 125 HA PRO 125 -14.591 -5.007 1.783 969 1HB PRO 125 HB2 PRO 125 -15.787 -6.252 -0.565 970 2HB PRO 125 HB1 PRO 125 -15.840 -4.551 -0.074 971 1HG PRO 125 HG2 PRO 125 -14.194 -5.765 -2.149 972 2HG PRO 125 HG1 PRO 125 -14.356 -4.050 -1.742 973 1HD PRO 125 HD2 PRO 125 -12.072 -5.620 -1.289 974 2HD PRO 125 HD1 PRO 125 -12.410 -4.049 -0.540 975 H GLY 126 HN GLY 126 -14.235 -7.973 -0.124 976 1HA GLY 126 HA2 GLY 126 -15.617 -9.427 2.055 977 2HA GLY 126 HA1 GLY 126 -15.241 -10.074 0.448 978 H SER 127 HN SER 127 -13.564 -8.775 3.302 979 HA SER 127 HA SER 127 -12.330 -11.106 4.041 980 1HB SER 127 HB2 SER 127 -11.100 -10.728 1.712 981 2HB SER 127 HB1 SER 127 -10.120 -9.606 2.632 982 HG SER 127 HG SER 127 -9.080 -11.328 3.213 983 H ALA 128 HN ALA 128 -10.593 -8.022 3.609 984 HA ALA 128 HA ALA 128 -10.424 -7.812 6.616 985 1HB ALA 128 HB1 ALA 128 -8.198 -7.001 6.364 986 2HB ALA 128 HB2 ALA 128 -8.374 -6.863 4.615 987 3HB ALA 128 HB3 ALA 128 -8.320 -8.453 5.373 988 H LYS 129 HN LYS 129 -12.533 -6.479 5.454 989 HA LYS 129 HA LYS 129 -11.664 -3.630 5.667 990 1HB LYS 129 HB2 LYS 129 -11.708 -3.799 3.368 991 2HB LYS 129 HB1 LYS 129 -13.033 -4.940 3.381 992 1HG LYS 129 HG2 LYS 129 -14.647 -3.250 3.804 993 2HG LYS 129 HG1 LYS 129 -13.419 -2.083 4.285 994 1HD LYS 129 HD2 LYS 129 -13.299 -3.194 1.496 995 2HD LYS 129 HD1 LYS 129 -14.563 -2.019 1.871 996 1HE LYS 129 HE2 LYS 129 -12.250 -1.153 0.995 997 2HE LYS 129 HE1 LYS 129 -13.020 -0.315 2.338 998 1HZ LYS 129 HZ1 LYS 129 -10.907 -2.384 2.554 999 2HZ LYS 129 HZ2 LYS 129 -11.680 -1.633 3.868 1000 3HZ LYS 129 HZ3 LYS 129 -10.709 -0.720 2.815 1001 H ASP 130 HN ASP 130 -14.355 -5.851 5.529 1002 HA ASP 130 HA ASP 130 -16.620 -5.659 6.516 1003 1HB ASP 130 HB2 ASP 130 -15.246 -3.791 8.442 1004 2HB ASP 130 HB1 ASP 130 -16.615 -4.864 8.726 1005 HA PRO 131 HA PRO 131 -16.962 -1.458 4.442 1006 1HB PRO 131 HB2 PRO 131 -18.991 -2.523 2.698 1007 2HB PRO 131 HB1 PRO 131 -17.349 -2.040 2.238 1008 1HG PRO 131 HG2 PRO 131 -18.398 -4.727 2.387 1009 2HG PRO 131 HG1 PRO 131 -16.756 -4.230 1.985 1010 1HD PRO 131 HD2 PRO 131 -17.704 -5.453 4.459 1011 2HD PRO 131 HD1 PRO 131 -16.031 -5.101 3.985 1012 H SER 132 HN SER 132 -18.044 -2.485 6.860 1013 HA SER 132 HA SER 132 -20.869 -1.497 6.799 1014 1HB SER 132 HB2 SER 132 -21.031 -2.501 9.024 1015 2HB SER 132 HB1 SER 132 -20.437 -3.718 7.898 1016 HG SER 132 HG SER 132 -18.457 -2.197 9.018 1017 H TRP 133 HN TRP 133 -17.929 -0.442 6.787 1018 HA TRP 133 HA TRP 133 -18.384 2.109 7.996 1019 1HB TRP 133 HB2 TRP 133 -18.145 0.662 10.096 1020 2HB TRP 133 HB1 TRP 133 -16.473 0.396 9.609 1021 HD1 TRP 133 HD1 TRP 133 -18.815 3.453 10.065 1022 HE1 TRP 133 HE1 TRP 133 -17.442 5.352 11.140 1023 HE3 TRP 133 HE3 TRP 133 -14.254 1.176 10.379 1024 HZ2 TRP 133 HZ2 TRP 133 -14.763 5.840 12.017 1025 HZ3 TRP 133 HZ3 TRP 133 -12.312 2.380 11.338 1026 HH2 TRP 133 HH2 TRP 133 -12.560 4.707 12.157 1027 H ALA 134 HN ALA 134 -17.301 1.072 5.554 1028 HA ALA 134 HA ALA 134 -14.374 1.506 5.695 1029 1HB ALA 134 HB1 ALA 134 -16.310 0.591 3.579 1030 2HB ALA 134 HB2 ALA 134 -14.916 -0.259 4.233 1031 3HB ALA 134 HB3 ALA 134 -14.685 1.105 3.140 Start of MODEL 5 1 HT1 PRO 1 HT2 PRO 1 4.338 8.483 -0.761 2 HT2 PRO 1 HT1 PRO 1 3.922 9.917 0.048 3 HA PRO 1 HA PRO 1 6.365 8.554 0.109 4 1HB PRO 1 HB2 PRO 1 7.282 11.203 -0.565 5 2HB PRO 1 HB1 PRO 1 7.675 9.684 -1.378 6 1HG PRO 1 HG2 PRO 1 5.975 11.796 -2.337 7 2HG PRO 1 HG1 PRO 1 6.346 10.257 -3.132 8 1HD PRO 1 HD2 PRO 1 3.876 11.040 -1.845 9 2HD PRO 1 HD1 PRO 1 4.232 9.533 -2.694 10 H VAL 2 HN VAL 2 6.922 8.809 2.201 11 HA VAL 2 HA VAL 2 6.349 11.374 3.592 12 HB VAL 2 HB VAL 2 4.425 9.840 3.994 13 1HG1 VAL 2 HG11 VAL 2 4.669 7.702 4.905 14 2HG1 VAL 2 HG12 VAL 2 6.244 8.062 5.605 15 3HG1 VAL 2 HG13 VAL 2 6.089 7.792 3.871 16 1HG2 VAL 2 HG21 VAL 2 5.454 9.757 6.712 17 2HG2 VAL 2 HG22 VAL 2 4.282 10.877 6.024 18 3HG2 VAL 2 HG23 VAL 2 6.000 11.249 5.947 19 H MET 3 HN MET 3 8.271 11.967 4.396 20 HA MET 3 HA MET 3 10.330 9.925 4.973 21 1HB MET 3 HB2 MET 3 10.604 12.906 5.308 22 2HB MET 3 HB1 MET 3 11.857 11.715 4.953 23 1HG MET 3 HG2 MET 3 10.664 11.248 2.766 24 2HG MET 3 HG1 MET 3 9.630 12.634 3.112 25 1HE MET 3 HE1 MET 3 14.026 12.531 1.905 26 2HE MET 3 HE2 MET 3 12.749 11.392 1.486 27 3HE MET 3 HE3 MET 3 13.331 11.480 3.146 28 H HIS 4 HN HIS 4 10.917 9.344 7.022 29 HA HIS 4 HA HIS 4 10.091 11.016 9.334 30 1HB HIS 4 HB2 HIS 4 8.222 9.412 8.900 31 2HB HIS 4 HB1 HIS 4 9.361 8.082 9.104 32 HD1 HIS 4 HD1 HIS 4 8.704 7.119 11.335 33 HD2 HIS 4 HD2 HIS 4 9.077 11.269 11.471 34 HE1 HIS 4 HE1 HIS 4 8.465 7.781 13.768 35 HA PRO 5 HA PRO 5 14.294 9.016 9.593 36 1HB PRO 5 HB2 PRO 5 15.213 11.539 10.738 37 2HB PRO 5 HB1 PRO 5 15.716 10.775 9.223 38 1HG PRO 5 HG2 PRO 5 14.123 13.120 9.464 39 2HG PRO 5 HG1 PRO 5 14.410 12.198 7.983 40 1HD PRO 5 HD2 PRO 5 11.974 12.315 9.629 41 2HD PRO 5 HD1 PRO 5 12.178 11.653 7.992 42 H HIS 6 HN HIS 6 14.677 7.864 11.469 43 HA HIS 6 HA HIS 6 13.121 7.936 13.761 44 1HB HIS 6 HB2 HIS 6 14.770 6.160 13.288 45 2HB HIS 6 HB1 HIS 6 16.082 7.285 13.641 46 HD1 HIS 6 HD1 HIS 6 16.935 7.045 15.960 47 HD2 HIS 6 HD2 HIS 6 12.874 6.133 15.737 48 HE1 HIS 6 HE1 HIS 6 16.215 6.405 18.302 49 H GLY 7 HN GLY 7 12.674 10.066 14.464 50 1HA GLY 7 HA2 GLY 7 13.634 11.297 16.556 51 2HA GLY 7 HA1 GLY 7 14.986 11.669 15.489 52 H ALA 8 HN ALA 8 13.962 12.482 13.168 53 HA ALA 8 HA ALA 8 12.849 15.036 13.812 54 1HB ALA 8 HB1 ALA 8 13.430 15.545 11.650 55 2HB ALA 8 HB2 ALA 8 12.537 14.173 10.993 56 3HB ALA 8 HB3 ALA 8 14.159 13.944 11.640 57 HA PRO 9 HA PRO 9 8.520 14.254 13.312 58 1HB PRO 9 HB2 PRO 9 7.684 16.410 11.726 59 2HB PRO 9 HB1 PRO 9 8.038 16.513 13.459 60 1HG PRO 9 HG2 PRO 9 9.547 17.665 11.242 61 2HG PRO 9 HG1 PRO 9 9.818 17.879 12.979 62 1HD PRO 9 HD2 PRO 9 11.240 16.116 11.095 63 2HD PRO 9 HD1 PRO 9 11.686 16.574 12.756 64 HA PRO 10 HA PRO 10 7.448 12.392 9.417 65 1HB PRO 10 HB2 PRO 10 4.739 13.270 9.209 66 2HB PRO 10 HB1 PRO 10 5.317 11.744 9.889 67 1HG PRO 10 HG2 PRO 10 4.266 14.081 11.307 68 2HG PRO 10 HG1 PRO 10 4.627 12.470 11.948 69 1HD PRO 10 HD2 PRO 10 6.143 14.857 12.379 70 2HD PRO 10 HD1 PRO 10 6.583 13.207 12.858 71 H ASN 11 HN ASN 11 7.911 13.210 7.311 72 HA ASN 11 HA ASN 11 6.906 15.955 6.635 73 1HB ASN 11 HB2 ASN 11 9.351 15.937 7.329 74 2HB ASN 11 HB1 ASN 11 9.659 14.950 5.902 75 1HD2 ASN 11 HD21 ASN 11 11.004 17.147 5.550 76 2HD2 ASN 11 HD22 ASN 11 10.196 18.330 4.639 77 H HIS 12 HN HIS 12 5.721 15.869 4.831 78 HA HIS 12 HA HIS 12 5.779 13.542 3.065 79 1HB HIS 12 HB2 HIS 12 4.146 14.920 1.714 80 2HB HIS 12 HB1 HIS 12 3.653 14.662 3.388 81 HD1 HIS 12 HD1 HIS 12 3.918 16.697 5.040 82 HD2 HIS 12 HD2 HIS 12 4.715 17.603 1.049 83 HE1 HIS 12 HE1 HIS 12 3.948 19.224 4.871 84 H ARG 13 HN ARG 13 6.411 13.700 0.723 85 HA ARG 13 HA ARG 13 8.821 15.295 0.484 86 1HB ARG 13 HB2 ARG 13 7.357 13.387 -1.319 87 2HB ARG 13 HB1 ARG 13 8.657 14.372 -1.979 88 1HG ARG 13 HG2 ARG 13 10.200 13.525 -0.261 89 2HG ARG 13 HG1 ARG 13 8.909 12.550 0.436 90 1HD ARG 13 HD2 ARG 13 9.728 10.897 -0.931 91 2HD ARG 13 HD1 ARG 13 8.851 11.738 -2.210 92 HE ARG 13 HE ARG 13 11.291 13.047 -2.117 93 1HH1 ARG 13 HH21 ARG 13 10.201 9.788 -2.385 94 2HH1 ARG 13 HH22 ARG 13 11.555 9.273 -3.334 95 1HH2 ARG 13 HH11 ARG 13 13.067 12.394 -3.354 96 2HH2 ARG 13 HH12 ARG 13 13.178 10.748 -3.883 97 HA PRO 14 HA PRO 14 7.304 19.083 -1.241 98 1HB PRO 14 HB2 PRO 14 9.176 19.060 -3.483 99 2HB PRO 14 HB1 PRO 14 9.184 20.079 -2.040 100 1HG PRO 14 HG2 PRO 14 10.910 17.841 -2.629 101 2HG PRO 14 HG1 PRO 14 10.912 18.851 -1.175 102 1HD PRO 14 HD2 PRO 14 10.059 16.121 -1.369 103 2HD PRO 14 HD1 PRO 14 9.931 17.193 0.040 104 H TRP 15 HN TRP 15 7.478 19.802 -3.959 105 HA TRP 15 HA TRP 15 6.431 19.632 -6.013 106 1HB TRP 15 HB2 TRP 15 5.907 16.713 -5.461 107 2HB TRP 15 HB1 TRP 15 6.112 17.518 -7.011 108 HD1 TRP 15 HD1 TRP 15 8.724 19.223 -5.895 109 HE1 TRP 15 HE1 TRP 15 10.979 17.978 -5.842 110 HE3 TRP 15 HE3 TRP 15 7.069 14.392 -5.996 111 HZ2 TRP 15 HZ2 TRP 15 11.954 15.290 -5.845 112 HZ3 TRP 15 HZ3 TRP 15 8.682 12.511 -5.973 113 HH2 TRP 15 HH2 TRP 15 11.120 12.953 -5.898 114 H GLN 16 HN GLN 16 4.633 17.463 -3.764 115 HA GLN 16 HA GLN 16 2.289 19.119 -3.577 116 1HB GLN 16 HB2 GLN 16 0.913 17.660 -5.263 117 2HB GLN 16 HB1 GLN 16 1.864 19.002 -5.881 118 1HG GLN 16 HG2 GLN 16 3.460 17.614 -6.860 119 2HG GLN 16 HG1 GLN 16 3.250 16.346 -5.653 120 1HE2 GLN 16 HE21 GLN 16 3.147 14.929 -7.696 121 2HE2 GLN 16 HE22 GLN 16 1.641 14.758 -8.462 122 H MET 17 HN MET 17 1.918 18.101 -1.480 123 HA MET 17 HA MET 17 1.831 15.168 -1.357 124 1HB MET 17 HB2 MET 17 1.136 15.535 1.003 125 2HB MET 17 HB1 MET 17 2.583 16.468 0.617 126 1HG MET 17 HG2 MET 17 1.029 18.417 0.079 127 2HG MET 17 HG1 MET 17 -0.264 17.470 0.815 128 1HE MET 17 HE1 MET 17 -0.676 19.471 2.351 129 2HE MET 17 HE2 MET 17 0.706 20.390 1.761 130 3HE MET 17 HE3 MET 17 0.486 20.159 3.494 131 H LYS 18 HN LYS 18 -0.033 17.605 -2.484 132 HA LYS 18 HA LYS 18 -2.697 16.780 -1.655 133 1HB LYS 18 HB2 LYS 18 -3.422 18.360 -3.482 134 2HB LYS 18 HB1 LYS 18 -2.362 19.092 -2.277 135 1HG LYS 18 HG2 LYS 18 -0.444 18.871 -3.740 136 2HG LYS 18 HG1 LYS 18 -1.389 17.950 -4.911 137 1HD LYS 18 HD2 LYS 18 -2.870 19.924 -5.228 138 2HD LYS 18 HD1 LYS 18 -1.847 20.843 -4.123 139 1HE LYS 18 HE2 LYS 18 -0.746 19.484 -6.589 140 2HE LYS 18 HE1 LYS 18 -1.353 21.140 -6.616 141 1HZ LYS 18 HZ1 LYS 18 1.103 20.843 -6.193 142 2HZ LYS 18 HZ2 LYS 18 0.679 20.234 -4.664 143 3HZ LYS 18 HZ3 LYS 18 0.268 21.826 -5.092 144 H ASP 19 HN ASP 19 -0.589 15.076 -3.337 145 HA ASP 19 HA ASP 19 -2.439 14.319 -5.545 146 1HB ASP 19 HB2 ASP 19 -0.062 14.465 -6.192 147 2HB ASP 19 HB1 ASP 19 0.379 13.347 -4.900 148 H LEU 20 HN LEU 20 -1.007 12.937 -2.562 149 HA LEU 20 HA LEU 20 -2.475 10.456 -2.923 150 1HB LEU 20 HB2 LEU 20 -2.000 9.980 -0.589 151 2HB LEU 20 HB1 LEU 20 -0.542 10.632 -1.336 152 HG LEU 20 HG LEU 20 -1.718 12.959 -0.434 153 1HD1 LEU 20 HD11 LEU 20 -2.390 10.781 1.570 154 2HD1 LEU 20 HD12 LEU 20 -3.538 11.823 0.732 155 3HD1 LEU 20 HD13 LEU 20 -2.431 12.508 1.918 156 1HD2 LEU 20 HD21 LEU 20 0.625 12.284 -0.070 157 2HD2 LEU 20 HD22 LEU 20 0.107 11.130 1.158 158 3HD2 LEU 20 HD23 LEU 20 -0.100 12.860 1.431 159 H GLN 21 HN GLN 21 -3.060 13.669 -1.556 160 HA GLN 21 HA GLN 21 -5.510 13.190 -0.244 161 1HB GLN 21 HB2 GLN 21 -4.265 15.397 -0.379 162 2HB GLN 21 HB1 GLN 21 -4.921 15.586 -2.005 163 1HG GLN 21 HG2 GLN 21 -6.419 16.761 -0.561 164 2HG GLN 21 HG1 GLN 21 -7.230 15.248 -0.969 165 1HE2 GLN 21 HE21 GLN 21 -4.557 15.711 1.381 166 2HE2 GLN 21 HE22 GLN 21 -5.445 15.188 2.729 167 H ALA 22 HN ALA 22 -4.891 13.936 -3.669 168 HA ALA 22 HA ALA 22 -7.440 13.914 -4.778 169 1HB ALA 22 HB1 ALA 22 -5.080 12.449 -5.961 170 2HB ALA 22 HB2 ALA 22 -5.265 14.200 -5.995 171 3HB ALA 22 HB3 ALA 22 -6.434 13.173 -6.824 172 H ILE 23 HN ILE 23 -5.507 11.235 -3.573 173 HA ILE 23 HA ILE 23 -7.451 9.182 -4.477 174 HB ILE 23 HB ILE 23 -4.779 9.120 -3.068 175 1HG1 ILE 23 HG12 ILE 23 -4.091 7.833 -4.952 176 2HG1 ILE 23 HG11 ILE 23 -5.747 7.609 -5.503 177 1HG2 ILE 23 HG21 ILE 23 -5.167 6.537 -3.165 178 2HG2 ILE 23 HG22 ILE 23 -6.874 6.967 -3.150 179 3HG2 ILE 23 HG23 ILE 23 -5.834 7.450 -1.814 180 1HD1 ILE 23 HD11 ILE 23 -4.399 9.374 -6.753 181 2HD1 ILE 23 HD12 ILE 23 -4.443 10.324 -5.272 182 3HD1 ILE 23 HD13 ILE 23 -5.943 9.925 -6.104 183 H LYS 24 HN LYS 24 -6.739 11.160 -1.705 184 HA LYS 24 HA LYS 24 -8.357 9.534 0.194 185 1HB LYS 24 HB2 LYS 24 -6.255 11.092 0.742 186 2HB LYS 24 HB1 LYS 24 -7.461 12.372 0.624 187 1HG LYS 24 HG2 LYS 24 -8.877 11.020 2.257 188 2HG LYS 24 HG1 LYS 24 -7.450 10.019 2.521 189 1HD LYS 24 HD2 LYS 24 -6.166 11.960 3.247 190 2HD LYS 24 HD1 LYS 24 -7.522 13.027 2.879 191 1HE LYS 24 HE2 LYS 24 -8.899 11.821 4.558 192 2HE LYS 24 HE1 LYS 24 -7.504 10.819 4.957 193 1HZ LYS 24 HZ1 LYS 24 -6.508 12.486 6.062 194 2HZ LYS 24 HZ2 LYS 24 -8.089 13.091 6.207 195 3HZ LYS 24 HZ3 LYS 24 -7.055 13.686 4.996 196 H GLN 25 HN GLN 25 -9.039 11.178 -2.481 197 HA GLN 25 HA GLN 25 -11.441 12.494 -1.292 198 1HB GLN 25 HB2 GLN 25 -10.098 12.691 -4.000 199 2HB GLN 25 HB1 GLN 25 -11.714 13.332 -3.701 200 1HG GLN 25 HG2 GLN 25 -10.746 14.655 -1.781 201 2HG GLN 25 HG1 GLN 25 -9.146 14.135 -2.310 202 1HE2 GLN 25 HE21 GLN 25 -12.091 15.384 -3.999 203 2HE2 GLN 25 HE22 GLN 25 -11.250 16.545 -4.908 204 H GLU 26 HN GLU 26 -10.898 10.923 -4.433 205 HA GLU 26 HA GLU 26 -13.449 9.840 -4.740 206 1HB GLU 26 HB2 GLU 26 -10.879 9.523 -5.994 207 2HB GLU 26 HB1 GLU 26 -11.610 7.928 -5.853 208 1HG GLU 26 HG2 GLU 26 -12.971 10.360 -7.059 209 2HG GLU 26 HG1 GLU 26 -12.211 9.065 -7.985 210 H VAL 27 HN VAL 27 -11.075 8.795 -2.427 211 HA VAL 27 HA VAL 27 -12.626 6.250 -1.929 212 HB VAL 27 HB VAL 27 -10.786 5.478 -0.632 213 1HG1 VAL 27 HG11 VAL 27 -8.734 5.906 -2.094 214 2HG1 VAL 27 HG12 VAL 27 -9.776 6.941 -3.066 215 3HG1 VAL 27 HG13 VAL 27 -10.149 5.227 -2.896 216 1HG2 VAL 27 HG21 VAL 27 -10.190 7.233 0.782 217 2HG2 VAL 27 HG22 VAL 27 -10.082 8.388 -0.541 218 3HG2 VAL 27 HG23 VAL 27 -8.794 7.208 -0.296 219 H SER 28 HN SER 28 -11.666 9.359 -0.497 220 HA SER 28 HA SER 28 -13.425 8.702 1.785 221 1HB SER 28 HB2 SER 28 -11.413 10.292 1.956 222 2HB SER 28 HB1 SER 28 -12.387 11.457 1.055 223 HG SER 28 HG SER 28 -12.437 11.329 3.527 224 H GLN 29 HN GLN 29 -14.326 8.570 -1.054 225 HA GLN 29 HA GLN 29 -16.357 10.732 -1.088 226 1HB GLN 29 HB2 GLN 29 -14.862 10.864 -2.993 227 2HB GLN 29 HB1 GLN 29 -15.179 9.174 -3.389 228 1HG GLN 29 HG2 GLN 29 -17.446 9.624 -3.953 229 2HG GLN 29 HG1 GLN 29 -17.384 11.230 -3.226 230 1HE2 GLN 29 HE21 GLN 29 -18.005 10.485 -6.079 231 2HE2 GLN 29 HE22 GLN 29 -16.871 11.329 -7.018 232 H ALA 30 HN ALA 30 -15.490 7.340 -1.451 233 HA ALA 30 HA ALA 30 -18.125 6.302 -2.264 234 1HB ALA 30 HB1 ALA 30 -15.830 4.672 -1.148 235 2HB ALA 30 HB2 ALA 30 -15.819 5.268 -2.811 236 3HB ALA 30 HB3 ALA 30 -17.089 4.167 -2.277 237 H ALA 31 HN ALA 31 -17.853 3.959 -0.573 238 HA ALA 31 HA ALA 31 -19.330 4.946 1.777 239 1HB ALA 31 HB1 ALA 31 -19.423 2.647 0.197 240 2HB ALA 31 HB2 ALA 31 -20.235 2.827 1.746 241 3HB ALA 31 HB3 ALA 31 -18.644 2.063 1.664 242 HA PRO 32 HA PRO 32 -15.978 4.689 4.632 243 1HB PRO 32 HB2 PRO 32 -16.808 2.493 6.351 244 2HB PRO 32 HB1 PRO 32 -16.938 4.228 6.663 245 1HG PRO 32 HG2 PRO 32 -19.090 2.428 6.088 246 2HG PRO 32 HG1 PRO 32 -19.190 4.189 6.238 247 1HD PRO 32 HD2 PRO 32 -19.306 2.557 3.815 248 2HD PRO 32 HD1 PRO 32 -19.646 4.290 3.988 249 H GLY 33 HN GLY 33 -15.579 3.233 2.264 250 1HA GLY 33 HA2 GLY 33 -13.297 1.933 2.235 251 2HA GLY 33 HA1 GLY 33 -14.241 0.697 3.065 252 H SER 34 HN SER 34 -15.447 -0.635 1.884 253 HA SER 34 HA SER 34 -16.404 -1.689 0.069 254 1HB SER 34 HB2 SER 34 -17.959 -0.341 -0.819 255 2HB SER 34 HB1 SER 34 -17.152 1.015 -0.047 256 HG SER 34 HG SER 34 -16.267 -0.049 -2.515 257 HA PRO 35 HA PRO 35 -13.199 -2.499 -2.899 258 1HB PRO 35 HB2 PRO 35 -14.764 -2.380 -5.330 259 2HB PRO 35 HB1 PRO 35 -14.254 -3.821 -4.440 260 1HG PRO 35 HG2 PRO 35 -16.919 -2.688 -4.595 261 2HG PRO 35 HG1 PRO 35 -16.411 -4.152 -3.742 262 1HD PRO 35 HD2 PRO 35 -17.165 -1.624 -2.580 263 2HD PRO 35 HD1 PRO 35 -16.600 -3.076 -1.732 264 H GLN 36 HN GLN 36 -15.464 -0.077 -4.196 265 HA GLN 36 HA GLN 36 -14.067 1.373 -6.004 266 1HB GLN 36 HB2 GLN 36 -15.589 2.444 -3.611 267 2HB GLN 36 HB1 GLN 36 -15.077 3.452 -4.968 268 1HG GLN 36 HG2 GLN 36 -16.352 2.002 -6.522 269 2HG GLN 36 HG1 GLN 36 -16.888 1.024 -5.155 270 1HE2 GLN 36 HE21 GLN 36 -17.044 4.355 -6.481 271 2HE2 GLN 36 HE22 GLN 36 -18.488 4.769 -5.690 272 H PHE 37 HN PHE 37 -13.321 1.292 -2.556 273 HA PHE 37 HA PHE 37 -11.822 3.517 -2.310 274 1HB PHE 37 HB2 PHE 37 -12.342 1.431 -0.711 275 2HB PHE 37 HB1 PHE 37 -10.644 1.083 -1.012 276 HD1 PHE 37 HD1 PHE 37 -13.042 3.408 0.504 277 HD2 PHE 37 HD2 PHE 37 -8.889 2.661 -0.290 278 HE1 PHE 37 HE1 PHE 37 -12.416 5.129 2.177 279 HE2 PHE 37 HE2 PHE 37 -8.260 4.385 1.377 280 HZ PHE 37 HZ PHE 37 -10.023 5.620 2.612 281 H MET 38 HN MET 38 -10.771 0.267 -3.073 282 HA MET 38 HA MET 38 -8.036 0.563 -3.668 283 1HB MET 38 HB2 MET 38 -8.991 -1.617 -3.314 284 2HB MET 38 HB1 MET 38 -10.043 -1.429 -4.715 285 1HG MET 38 HG2 MET 38 -7.144 -1.052 -5.291 286 2HG MET 38 HG1 MET 38 -7.592 -2.681 -4.799 287 1HE MET 38 HE1 MET 38 -7.312 -4.057 -6.658 288 2HE MET 38 HE2 MET 38 -6.440 -2.787 -7.512 289 3HE MET 38 HE3 MET 38 -7.691 -3.702 -8.348 290 H GLN 39 HN GLN 39 -10.819 0.878 -5.870 291 HA GLN 39 HA GLN 39 -9.532 0.964 -8.336 292 1HB GLN 39 HB2 GLN 39 -12.020 1.373 -7.806 293 2HB GLN 39 HB1 GLN 39 -11.569 3.059 -7.552 294 1HG GLN 39 HG2 GLN 39 -10.693 3.214 -9.821 295 2HG GLN 39 HG1 GLN 39 -10.997 1.497 -10.087 296 1HE2 GLN 39 HE21 GLN 39 -12.230 4.246 -11.144 297 2HE2 GLN 39 HE22 GLN 39 -13.895 3.917 -11.113 298 H THR 40 HN THR 40 -9.810 3.545 -5.940 299 HA THR 40 HA THR 40 -8.004 5.418 -7.409 300 HB THR 40 HB THR 40 -8.355 5.874 -4.543 301 HG1 THR 40 HG1 THR 40 -10.507 4.930 -5.986 302 1HG2 THR 40 HG21 THR 40 -9.353 7.966 -5.217 303 2HG2 THR 40 HG22 THR 40 -9.588 7.369 -6.863 304 3HG2 THR 40 HG23 THR 40 -7.958 7.654 -6.253 305 H ILE 41 HN ILE 41 -7.468 3.063 -4.793 306 HA ILE 41 HA ILE 41 -4.677 4.019 -4.662 307 HB ILE 41 HB ILE 41 -5.878 1.484 -3.519 308 1HG1 ILE 41 HG12 ILE 41 -6.811 3.844 -2.789 309 2HG1 ILE 41 HG11 ILE 41 -6.419 2.645 -1.562 310 1HG2 ILE 41 HG21 ILE 41 -3.535 1.216 -3.557 311 2HG2 ILE 41 HG22 ILE 41 -3.890 1.781 -1.927 312 3HG2 ILE 41 HG23 ILE 41 -3.259 2.903 -3.129 313 1HD1 ILE 41 HD11 ILE 41 -5.513 5.132 -1.335 314 2HD1 ILE 41 HD12 ILE 41 -4.260 4.552 -2.431 315 3HD1 ILE 41 HD13 ILE 41 -4.498 3.768 -0.873 316 H ARG 42 HN ARG 42 -6.491 2.182 -6.762 317 HA ARG 42 HA ARG 42 -4.482 0.182 -7.474 318 1HB ARG 42 HB2 ARG 42 -6.930 -0.185 -7.731 319 2HB ARG 42 HB1 ARG 42 -6.952 1.079 -8.959 320 1HG ARG 42 HG2 ARG 42 -5.372 -0.225 -10.341 321 2HG ARG 42 HG1 ARG 42 -5.330 -1.483 -9.109 322 1HD ARG 42 HD2 ARG 42 -6.900 -2.255 -10.712 323 2HD ARG 42 HD1 ARG 42 -7.882 -1.612 -9.397 324 HE ARG 42 HE ARG 42 -7.586 0.550 -11.094 325 1HH1 ARG 42 HH21 ARG 42 -8.583 -2.737 -11.398 326 2HH1 ARG 42 HH22 ARG 42 -9.697 -2.419 -12.686 327 1HH2 ARG 42 HH11 ARG 42 -9.037 0.983 -12.776 328 2HH2 ARG 42 HH12 ARG 42 -9.953 -0.315 -13.466 329 H LEU 43 HN LEU 43 -5.676 3.240 -8.884 330 HA LEU 43 HA LEU 43 -3.716 2.975 -11.099 331 1HB LEU 43 HB2 LEU 43 -5.825 5.070 -10.504 332 2HB LEU 43 HB1 LEU 43 -4.807 5.053 -11.942 333 HG LEU 43 HG LEU 43 -6.465 2.631 -11.220 334 1HD1 LEU 43 HD11 LEU 43 -8.081 4.431 -11.246 335 2HD1 LEU 43 HD12 LEU 43 -8.224 3.549 -12.766 336 3HD1 LEU 43 HD13 LEU 43 -7.383 5.098 -12.721 337 1HD2 LEU 43 HD21 LEU 43 -6.441 2.407 -13.742 338 2HD2 LEU 43 HD22 LEU 43 -4.852 2.286 -12.993 339 3HD2 LEU 43 HD23 LEU 43 -5.337 3.779 -13.797 340 H ALA 44 HN ALA 44 -3.898 4.349 -7.990 341 HA ALA 44 HA ALA 44 -1.893 6.479 -8.657 342 1HB ALA 44 HB1 ALA 44 -2.289 7.343 -6.492 343 2HB ALA 44 HB2 ALA 44 -2.947 5.813 -5.909 344 3HB ALA 44 HB3 ALA 44 -3.880 6.805 -7.030 345 H VAL 45 HN VAL 45 -2.099 3.412 -6.877 346 HA VAL 45 HA VAL 45 0.746 3.675 -6.152 347 HB VAL 45 HB VAL 45 -1.305 1.495 -5.698 348 1HG1 VAL 45 HG11 VAL 45 0.750 0.319 -5.982 349 2HG1 VAL 45 HG12 VAL 45 0.538 0.496 -4.242 350 3HG1 VAL 45 HG13 VAL 45 1.658 1.549 -5.106 351 1HG2 VAL 45 HG21 VAL 45 -1.382 3.598 -4.318 352 2HG2 VAL 45 HG22 VAL 45 0.253 3.236 -3.769 353 3HG2 VAL 45 HG23 VAL 45 -1.071 2.143 -3.371 354 H GLN 46 HN GLN 46 -1.223 2.285 -8.684 355 HA GLN 46 HA GLN 46 0.917 0.492 -9.599 356 1HB GLN 46 HB2 GLN 46 -1.502 -0.039 -9.949 357 2HB GLN 46 HB1 GLN 46 -1.615 1.352 -11.028 358 1HG GLN 46 HG2 GLN 46 0.048 0.384 -12.524 359 2HG GLN 46 HG1 GLN 46 0.302 -0.965 -11.416 360 1HE2 GLN 46 HE21 GLN 46 -0.715 -1.073 -14.236 361 2HE2 GLN 46 HE22 GLN 46 -2.240 -1.813 -14.143 362 H GLN 47 HN GLN 47 -0.214 3.767 -10.208 363 HA GLN 47 HA GLN 47 1.364 3.995 -12.668 364 1HB GLN 47 HB2 GLN 47 -0.266 5.981 -11.089 365 2HB GLN 47 HB1 GLN 47 0.621 6.404 -12.552 366 1HG GLN 47 HG2 GLN 47 -0.651 4.843 -13.873 367 2HG GLN 47 HG1 GLN 47 -1.409 4.159 -12.434 368 1HE2 GLN 47 HE21 GLN 47 -3.331 4.944 -14.045 369 2HE2 GLN 47 HE22 GLN 47 -3.948 6.483 -13.683 370 H PHE 48 HN PHE 48 1.343 5.912 -9.651 371 HA PHE 48 HA PHE 48 4.080 6.820 -10.177 372 1HB PHE 48 HB2 PHE 48 2.364 7.321 -7.734 373 2HB PHE 48 HB1 PHE 48 3.773 8.245 -8.254 374 HD1 PHE 48 HD1 PHE 48 3.658 9.762 -10.170 375 HD2 PHE 48 HD2 PHE 48 0.224 7.512 -8.905 376 HE1 PHE 48 HE1 PHE 48 2.201 11.197 -11.572 377 HE2 PHE 48 HE2 PHE 48 -1.233 8.947 -10.309 378 HZ PHE 48 HZ PHE 48 -0.244 10.790 -11.642 379 H ASP 49 HN ASP 49 2.915 3.988 -8.873 380 HA ASP 49 HA ASP 49 3.678 2.649 -6.984 381 1HB ASP 49 HB2 ASP 49 6.082 2.996 -8.783 382 2HB ASP 49 HB1 ASP 49 5.800 1.650 -7.680 383 HA PRO 50 HA PRO 50 5.999 6.032 -4.771 384 1HB PRO 50 HB2 PRO 50 4.358 5.411 -2.442 385 2HB PRO 50 HB1 PRO 50 4.421 6.919 -3.365 386 1HG PRO 50 HG2 PRO 50 2.283 5.018 -3.354 387 2HG PRO 50 HG1 PRO 50 2.439 6.429 -4.412 388 1HD PRO 50 HD2 PRO 50 2.797 3.602 -5.087 389 2HD PRO 50 HD1 PRO 50 2.739 4.998 -6.185 390 H THR 51 HN THR 51 7.465 5.671 -2.938 391 HA THR 51 HA THR 51 8.510 2.971 -2.822 392 HB THR 51 HB THR 51 10.075 3.872 -1.172 393 HG1 THR 51 HG1 THR 51 8.733 6.340 -1.401 394 1HG2 THR 51 HG21 THR 51 9.464 5.561 -3.601 395 2HG2 THR 51 HG22 THR 51 10.705 4.321 -3.412 396 3HG2 THR 51 HG23 THR 51 10.870 5.868 -2.581 397 H ALA 52 HN ALA 52 8.885 1.987 -0.497 398 HA ALA 52 HA ALA 52 6.377 1.295 0.632 399 1HB ALA 52 HB1 ALA 52 8.319 -0.100 1.018 400 2HB ALA 52 HB2 ALA 52 7.753 0.486 2.585 401 3HB ALA 52 HB3 ALA 52 9.154 1.230 1.817 402 H LYS 53 HN LYS 53 8.353 4.060 1.018 403 HA LYS 53 HA LYS 53 7.825 5.051 3.575 404 1HB LYS 53 HB2 LYS 53 7.812 6.544 0.938 405 2HB LYS 53 HB1 LYS 53 7.928 7.314 2.521 406 1HG LYS 53 HG2 LYS 53 9.968 5.913 2.981 407 2HG LYS 53 HG1 LYS 53 9.897 5.353 1.312 408 1HD LYS 53 HD2 LYS 53 10.141 7.650 0.501 409 2HD LYS 53 HD1 LYS 53 10.131 8.255 2.158 410 1HE LYS 53 HE2 LYS 53 12.432 8.131 1.566 411 2HE LYS 53 HE1 LYS 53 12.141 6.707 2.566 412 1HZ LYS 53 HZ1 LYS 53 12.157 5.316 0.742 413 2HZ LYS 53 HZ2 LYS 53 13.372 6.434 0.343 414 3HZ LYS 53 HZ3 LYS 53 11.831 6.562 -0.361 415 H ASP 54 HN ASP 54 5.861 6.006 0.720 416 HA ASP 54 HA ASP 54 3.606 7.123 1.947 417 1HB ASP 54 HB2 ASP 54 4.076 6.741 -0.542 418 2HB ASP 54 HB1 ASP 54 3.436 5.117 -0.301 419 H LEU 55 HN LEU 55 4.002 3.634 1.245 420 HA LEU 55 HA LEU 55 1.634 2.722 2.382 421 1HB LEU 55 HB2 LEU 55 4.299 1.366 2.861 422 2HB LEU 55 HB1 LEU 55 2.711 0.606 2.767 423 HG LEU 55 HG LEU 55 4.167 2.005 0.504 424 1HD1 LEU 55 HD11 LEU 55 4.463 -0.146 -0.443 425 2HD1 LEU 55 HD12 LEU 55 3.287 -0.880 0.645 426 3HD1 LEU 55 HD13 LEU 55 4.857 -0.369 1.262 427 1HD2 LEU 55 HD21 LEU 55 1.363 0.916 0.771 428 2HD2 LEU 55 HD22 LEU 55 2.162 0.957 -0.801 429 3HD2 LEU 55 HD23 LEU 55 1.890 2.454 0.087 430 H GLN 56 HN GLN 56 4.413 4.037 4.052 431 HA GLN 56 HA GLN 56 3.644 3.104 6.682 432 1HB GLN 56 HB2 GLN 56 5.958 3.949 5.884 433 2HB GLN 56 HB1 GLN 56 5.304 5.567 6.134 434 1HG GLN 56 HG2 GLN 56 6.419 4.950 8.170 435 2HG GLN 56 HG1 GLN 56 4.687 4.839 8.487 436 1HE2 GLN 56 HE21 GLN 56 7.065 2.595 6.936 437 2HE2 GLN 56 HE22 GLN 56 6.643 1.259 7.894 438 H ASP 57 HN ASP 57 3.492 6.377 5.199 439 HA ASP 57 HA ASP 57 1.569 7.229 7.285 440 1HB ASP 57 HB2 ASP 57 3.331 8.790 6.462 441 2HB ASP 57 HB1 ASP 57 2.575 8.747 4.868 442 H LEU 58 HN LEU 58 1.269 5.554 4.425 443 HA LEU 58 HA LEU 58 -1.350 6.785 3.712 444 1HB LEU 58 HB2 LEU 58 0.382 5.851 1.991 445 2HB LEU 58 HB1 LEU 58 -0.164 4.265 2.527 446 HG LEU 58 HG LEU 58 -2.576 5.239 2.066 447 1HD1 LEU 58 HD11 LEU 58 -1.951 7.538 1.597 448 2HD1 LEU 58 HD12 LEU 58 -2.520 6.807 0.098 449 3HD1 LEU 58 HD13 LEU 58 -0.793 7.020 0.372 450 1HD2 LEU 58 HD21 LEU 58 -2.338 4.532 -0.358 451 2HD2 LEU 58 HD22 LEU 58 -1.723 3.366 0.813 452 3HD2 LEU 58 HD23 LEU 58 -0.602 4.398 -0.076 453 H LEU 59 HN LEU 59 -0.030 4.078 5.468 454 HA LEU 59 HA LEU 59 -2.746 2.890 5.774 455 1HB LEU 59 HB2 LEU 59 0.060 2.007 6.391 456 2HB LEU 59 HB1 LEU 59 -1.252 1.316 7.340 457 HG LEU 59 HG LEU 59 -0.629 -0.028 5.305 458 1HD1 LEU 59 HD11 LEU 59 -2.797 -0.722 4.943 459 2HD1 LEU 59 HD12 LEU 59 -3.434 0.914 4.810 460 3HD1 LEU 59 HD13 LEU 59 -3.061 0.238 6.395 461 1HD2 LEU 59 HD21 LEU 59 -0.227 2.130 3.939 462 2HD2 LEU 59 HD22 LEU 59 -1.975 2.152 3.703 463 3HD2 LEU 59 HD23 LEU 59 -1.024 0.790 3.116 464 H GLN 60 HN GLN 60 -0.574 5.038 7.375 465 HA GLN 60 HA GLN 60 -1.907 4.649 9.999 466 1HB GLN 60 HB2 GLN 60 0.348 6.429 9.077 467 2HB GLN 60 HB1 GLN 60 -0.271 6.398 10.726 468 1HG GLN 60 HG2 GLN 60 0.270 4.024 10.927 469 2HG GLN 60 HG1 GLN 60 0.800 3.978 9.245 470 1HE2 GLN 60 HE21 GLN 60 2.161 6.588 9.305 471 2HE2 GLN 60 HE22 GLN 60 3.551 6.393 10.259 472 H TYR 61 HN TYR 61 -1.919 6.822 7.249 473 HA TYR 61 HA TYR 61 -3.469 8.889 8.743 474 1HB TYR 61 HB2 TYR 61 -1.443 9.458 7.278 475 2HB TYR 61 HB1 TYR 61 -2.465 9.065 5.895 476 HD1 TYR 61 HD1 TYR 61 -3.922 10.692 5.012 477 HD2 TYR 61 HD2 TYR 61 -2.396 11.159 9.001 478 HE1 TYR 61 HE1 TYR 61 -4.952 12.943 5.143 479 HE2 TYR 61 HE2 TYR 61 -3.428 13.410 9.131 480 HH TYR 61 HH TYR 61 -4.684 14.917 8.102 481 H LEU 62 HN LEU 62 -3.643 7.104 5.623 482 HA LEU 62 HA LEU 62 -6.389 7.964 5.194 483 1HB LEU 62 HB2 LEU 62 -4.368 6.471 3.737 484 2HB LEU 62 HB1 LEU 62 -5.877 5.570 3.691 485 HG LEU 62 HG LEU 62 -5.725 8.524 3.036 486 1HD1 LEU 62 HD11 LEU 62 -4.293 7.559 1.422 487 2HD1 LEU 62 HD12 LEU 62 -5.860 7.661 0.618 488 3HD1 LEU 62 HD13 LEU 62 -5.299 6.118 1.265 489 1HD2 LEU 62 HD21 LEU 62 -7.970 7.827 3.480 490 2HD2 LEU 62 HD22 LEU 62 -7.757 6.320 2.592 491 3HD2 LEU 62 HD23 LEU 62 -7.820 7.850 1.726 492 H CYS 63 HN CYS 63 -4.964 5.388 7.016 493 HA CYS 63 HA CYS 63 -7.695 4.206 7.385 494 1HB CYS 63 HB2 CYS 63 -5.161 2.990 8.471 495 2HB CYS 63 HB1 CYS 63 -6.685 2.207 8.083 496 HG CYS 63 HG CYS 63 -6.104 2.214 5.616 497 H SER 64 HN SER 64 -6.284 3.164 10.016 498 HA SER 64 HA SER 64 -5.909 5.542 11.637 499 1HB SER 64 HB2 SER 64 -8.207 5.930 11.552 500 2HB SER 64 HB1 SER 64 -8.595 4.213 11.524 501 HG SER 64 HG SER 64 -8.474 4.156 13.634 502 H SER 65 HN SER 65 -7.429 2.343 12.103 503 HA SER 65 HA SER 65 -5.062 1.370 13.529 504 1HB SER 65 HB2 SER 65 -6.166 2.644 15.311 505 2HB SER 65 HB1 SER 65 -7.687 1.818 14.985 506 HG SER 65 HG SER 65 -6.144 1.023 16.732 507 H LEU 66 HN LEU 66 -8.512 0.443 13.888 508 HA LEU 66 HA LEU 66 -8.140 -2.277 13.623 509 1HB LEU 66 HB2 LEU 66 -10.269 -1.188 14.248 510 2HB LEU 66 HB1 LEU 66 -10.479 -0.661 12.580 511 HG LEU 66 HG LEU 66 -10.500 -3.032 11.844 512 1HD1 LEU 66 HD11 LEU 66 -9.268 -4.288 13.376 513 2HD1 LEU 66 HD12 LEU 66 -10.909 -4.679 13.880 514 3HD1 LEU 66 HD13 LEU 66 -9.975 -3.479 14.775 515 1HD2 LEU 66 HD21 LEU 66 -12.678 -3.637 13.107 516 2HD2 LEU 66 HD22 LEU 66 -12.657 -2.125 12.201 517 3HD2 LEU 66 HD23 LEU 66 -12.458 -2.106 13.954 518 H VAL 67 HN VAL 67 -9.530 -0.422 10.901 519 HA VAL 67 HA VAL 67 -9.417 -2.149 8.920 520 HB VAL 67 HB VAL 67 -8.348 0.673 8.658 521 1HG1 VAL 67 HG11 VAL 67 -7.676 -0.504 6.675 522 2HG1 VAL 67 HG12 VAL 67 -9.140 0.385 6.254 523 3HG1 VAL 67 HG13 VAL 67 -9.223 -1.346 6.579 524 1HG2 VAL 67 HG21 VAL 67 -10.708 1.055 7.830 525 2HG2 VAL 67 HG22 VAL 67 -10.597 0.630 9.538 526 3HG2 VAL 67 HG23 VAL 67 -11.089 -0.584 8.358 527 H ALA 68 HN ALA 68 -6.530 -0.128 9.550 528 HA ALA 68 HA ALA 68 -4.607 -1.468 7.924 529 1HB ALA 68 HB1 ALA 68 -4.393 0.747 9.168 530 2HB ALA 68 HB2 ALA 68 -2.985 -0.313 9.202 531 3HB ALA 68 HB3 ALA 68 -4.047 -0.212 10.608 532 H SER 69 HN SER 69 -5.796 -2.173 11.168 533 HA SER 69 HA SER 69 -3.857 -3.984 12.075 534 1HB SER 69 HB2 SER 69 -6.030 -3.110 13.197 535 2HB SER 69 HB1 SER 69 -6.785 -4.535 12.488 536 HG SER 69 HG SER 69 -5.060 -4.308 14.591 537 H LEU 70 HN LEU 70 -6.944 -4.930 10.545 538 HA LEU 70 HA LEU 70 -5.735 -7.503 9.784 539 1HB LEU 70 HB2 LEU 70 -8.546 -6.624 9.116 540 2HB LEU 70 HB1 LEU 70 -7.953 -8.266 9.390 541 HG LEU 70 HG LEU 70 -8.268 -6.083 11.469 542 1HD1 LEU 70 HD11 LEU 70 -9.589 -8.801 11.262 543 2HD1 LEU 70 HD12 LEU 70 -10.331 -7.308 10.686 544 3HD1 LEU 70 HD13 LEU 70 -9.975 -7.511 12.402 545 1HD2 LEU 70 HD21 LEU 70 -7.601 -7.984 13.037 546 2HD2 LEU 70 HD22 LEU 70 -6.300 -7.320 12.049 547 3HD2 LEU 70 HD23 LEU 70 -7.052 -8.852 11.603 548 H HIS 71 HN HIS 71 -6.645 -4.553 8.093 549 HA HIS 71 HA HIS 71 -6.883 -5.620 5.605 550 1HB HIS 71 HB2 HIS 71 -7.153 -3.283 5.687 551 2HB HIS 71 HB1 HIS 71 -5.624 -3.045 6.522 552 HD1 HIS 71 HD1 HIS 71 -5.401 -5.266 3.589 553 HD2 HIS 71 HD2 HIS 71 -5.014 -1.184 4.338 554 HE1 HIS 71 HE1 HIS 71 -4.241 -4.270 1.568 555 H HIS 72 HN HIS 72 -3.920 -4.761 7.343 556 HA HIS 72 HA HIS 72 -2.127 -5.689 5.319 557 1HB HIS 72 HB2 HIS 72 -1.447 -4.047 7.095 558 2HB HIS 72 HB1 HIS 72 -1.562 -5.337 8.292 559 HD1 HIS 72 HD1 HIS 72 0.312 -4.566 5.062 560 HD2 HIS 72 HD2 HIS 72 0.755 -6.832 8.533 561 HE1 HIS 72 HE1 HIS 72 2.633 -5.575 4.968 562 H GLN 73 HN GLN 73 -3.510 -7.181 8.290 563 HA GLN 73 HA GLN 73 -2.123 -9.563 8.486 564 1HB GLN 73 HB2 GLN 73 -5.125 -9.238 8.482 565 2HB GLN 73 HB1 GLN 73 -4.354 -10.784 8.783 566 1HG GLN 73 HG2 GLN 73 -3.612 -8.307 10.344 567 2HG GLN 73 HG1 GLN 73 -4.896 -9.399 10.862 568 1HE2 GLN 73 HE21 GLN 73 -2.537 -9.061 12.440 569 2HE2 GLN 73 HE22 GLN 73 -1.655 -10.511 12.407 570 H GLN 74 HN GLN 74 -4.570 -8.820 5.970 571 HA GLN 74 HA GLN 74 -4.500 -11.190 4.589 572 1HB GLN 74 HB2 GLN 74 -4.562 -8.369 3.477 573 2HB GLN 74 HB1 GLN 74 -4.859 -9.796 2.486 574 1HG GLN 74 HG2 GLN 74 -6.670 -10.455 4.111 575 2HG GLN 74 HG1 GLN 74 -6.445 -8.897 4.906 576 1HE2 GLN 74 HE21 GLN 74 -6.933 -6.928 3.606 577 2HE2 GLN 74 HE22 GLN 74 -7.985 -7.032 2.278 578 H LEU 75 HN LEU 75 -2.739 -8.253 3.383 579 HA LEU 75 HA LEU 75 -0.491 -9.252 2.019 580 1HB LEU 75 HB2 LEU 75 -1.303 -6.846 2.568 581 2HB LEU 75 HB1 LEU 75 -0.360 -7.037 4.039 582 HG LEU 75 HG LEU 75 0.936 -5.922 2.248 583 1HD1 LEU 75 HD11 LEU 75 2.166 -8.648 2.574 584 2HD1 LEU 75 HD12 LEU 75 1.908 -7.628 3.988 585 3HD1 LEU 75 HD13 LEU 75 2.927 -7.065 2.673 586 1HD2 LEU 75 HD21 LEU 75 -0.313 -7.521 0.460 587 2HD2 LEU 75 HD22 LEU 75 1.187 -8.431 0.642 588 3HD2 LEU 75 HD23 LEU 75 1.232 -6.747 0.129 589 H ASP 76 HN ASP 76 -0.262 -8.359 5.450 590 HA ASP 76 HA ASP 76 2.048 -9.123 6.415 591 1HB ASP 76 HB2 ASP 76 -0.040 -8.890 7.738 592 2HB ASP 76 HB1 ASP 76 -0.355 -10.599 7.447 593 H SER 77 HN SER 77 -0.311 -11.723 6.048 594 HA SER 77 HA SER 77 1.723 -13.798 5.851 595 1HB SER 77 HB2 SER 77 -1.300 -13.798 5.760 596 2HB SER 77 HB1 SER 77 -0.314 -15.261 5.645 597 HG SER 77 HG SER 77 -1.076 -14.584 7.817 598 H LEU 78 HN LEU 78 -0.473 -12.083 3.625 599 HA LEU 78 HA LEU 78 -0.537 -13.912 1.565 600 1HB LEU 78 HB2 LEU 78 -1.335 -11.324 1.818 601 2HB LEU 78 HB1 LEU 78 -0.011 -11.097 0.682 602 HG LEU 78 HG LEU 78 -2.193 -13.146 0.312 603 1HD1 LEU 78 HD11 LEU 78 -3.118 -10.809 0.404 604 2HD1 LEU 78 HD12 LEU 78 -3.302 -11.557 -1.182 605 3HD1 LEU 78 HD13 LEU 78 -2.030 -10.366 -0.912 606 1HD2 LEU 78 HD21 LEU 78 -1.420 -12.921 -2.093 607 2HD2 LEU 78 HD22 LEU 78 -0.226 -13.617 -1.000 608 3HD2 LEU 78 HD23 LEU 78 -0.086 -11.933 -1.500 609 H ILE 79 HN ILE 79 1.959 -11.370 2.143 610 HA ILE 79 HA ILE 79 3.861 -12.131 0.196 611 HB ILE 79 HB ILE 79 3.779 -10.743 2.857 612 1HG1 ILE 79 HG12 ILE 79 3.358 -9.499 0.777 613 2HG1 ILE 79 HG11 ILE 79 4.811 -8.913 1.576 614 1HG2 ILE 79 HG21 ILE 79 5.761 -11.967 3.271 615 2HG2 ILE 79 HG22 ILE 79 6.307 -10.401 2.673 616 3HG2 ILE 79 HG23 ILE 79 6.314 -11.804 1.603 617 1HD1 ILE 79 HD11 ILE 79 5.860 -10.830 -0.100 618 2HD1 ILE 79 HD12 ILE 79 5.736 -9.119 -0.496 619 3HD1 ILE 79 HD13 ILE 79 4.493 -10.241 -1.042 620 H SER 80 HN SER 80 3.660 -13.074 3.669 621 HA SER 80 HA SER 80 5.671 -15.005 3.636 622 1HB SER 80 HB2 SER 80 4.717 -15.899 5.584 623 2HB SER 80 HB1 SER 80 4.081 -14.255 5.571 624 HG SER 80 HG SER 80 2.300 -15.322 4.279 625 H GLU 81 HN GLU 81 2.212 -15.510 2.733 626 HA GLU 81 HA GLU 81 2.681 -18.263 2.058 627 1HB GLU 81 HB2 GLU 81 0.465 -17.356 2.688 628 2HB GLU 81 HB1 GLU 81 0.440 -16.421 1.192 629 1HG GLU 81 HG2 GLU 81 0.506 -18.450 -0.142 630 2HG GLU 81 HG1 GLU 81 0.707 -19.438 1.306 631 H ALA 82 HN ALA 82 2.810 -15.243 0.106 632 HA ALA 82 HA ALA 82 2.692 -16.778 -2.274 633 1HB ALA 82 HB1 ALA 82 3.542 -13.917 -1.817 634 2HB ALA 82 HB2 ALA 82 2.057 -14.517 -2.555 635 3HB ALA 82 HB3 ALA 82 3.589 -14.639 -3.429 636 H GLU 83 HN GLU 83 5.365 -15.120 -0.547 637 HA GLU 83 HA GLU 83 7.438 -15.693 -2.301 638 1HB GLU 83 HB2 GLU 83 9.008 -15.525 -0.376 639 2HB GLU 83 HB1 GLU 83 7.780 -14.262 -0.313 640 1HG GLU 83 HG2 GLU 83 7.811 -15.086 1.891 641 2HG GLU 83 HG1 GLU 83 6.447 -15.929 1.166 642 H THR 84 HN THR 84 5.882 -17.723 0.079 643 HA THR 84 HA THR 84 7.637 -19.963 -0.009 644 HB THR 84 HB THR 84 4.848 -20.793 0.076 645 HG1 THR 84 HG1 THR 84 4.179 -18.805 0.520 646 1HG2 THR 84 HG21 THR 84 6.871 -21.697 1.366 647 2HG2 THR 84 HG22 THR 84 5.384 -21.495 2.292 648 3HG2 THR 84 HG23 THR 84 6.678 -20.306 2.434 649 H ARG 85 HN ARG 85 4.803 -19.077 -1.980 650 HA ARG 85 HA ARG 85 4.522 -21.148 -3.701 651 1HB ARG 85 HB2 ARG 85 3.261 -19.707 -4.959 652 2HB ARG 85 HB1 ARG 85 3.576 -18.615 -3.629 653 1HG ARG 85 HG2 ARG 85 4.087 -17.334 -5.539 654 2HG ARG 85 HG1 ARG 85 5.659 -17.849 -4.952 655 1HD ARG 85 HD2 ARG 85 4.518 -18.309 -7.546 656 2HD ARG 85 HD1 ARG 85 6.098 -18.821 -6.959 657 HE ARG 85 HE ARG 85 4.382 -20.733 -5.939 658 1HH1 ARG 85 HH21 ARG 85 5.003 -19.335 -9.029 659 2HH1 ARG 85 HH22 ARG 85 4.596 -20.771 -9.908 660 1HH2 ARG 85 HH11 ARG 85 3.846 -22.614 -7.069 661 2HH2 ARG 85 HH12 ARG 85 3.941 -22.627 -8.798 662 H GLY 86 HN GLY 86 7.232 -18.824 -3.749 663 1HA GLY 86 HA2 GLY 86 9.294 -20.129 -4.694 664 2HA GLY 86 HA1 GLY 86 8.345 -20.129 -6.181 665 H ILE 87 HN ILE 87 7.654 -17.931 -6.971 666 HA ILE 87 HA ILE 87 8.125 -15.777 -7.681 667 HB ILE 87 HB ILE 87 9.677 -15.477 -5.081 668 1HG1 ILE 87 HG12 ILE 87 7.431 -16.194 -4.543 669 2HG1 ILE 87 HG11 ILE 87 7.543 -14.458 -4.241 670 1HG2 ILE 87 HG21 ILE 87 8.663 -13.025 -5.560 671 2HG2 ILE 87 HG22 ILE 87 8.781 -13.587 -7.225 672 3HG2 ILE 87 HG23 ILE 87 10.220 -13.533 -6.208 673 1HD1 ILE 87 HD11 ILE 87 6.656 -14.234 -6.697 674 2HD1 ILE 87 HD12 ILE 87 5.521 -14.634 -5.409 675 3HD1 ILE 87 HD13 ILE 87 6.129 -15.902 -6.471 676 H THR 88 HN THR 88 10.354 -14.309 -7.740 677 HA THR 88 HA THR 88 12.049 -15.630 -9.598 678 HB THR 88 HB THR 88 12.927 -13.310 -7.859 679 HG1 THR 88 HG1 THR 88 11.151 -13.453 -10.041 680 1HG2 THR 88 HG21 THR 88 14.147 -12.684 -9.941 681 2HG2 THR 88 HG22 THR 88 13.584 -14.179 -10.687 682 3HG2 THR 88 HG23 THR 88 14.665 -14.241 -9.295 683 H SER 89 HN SER 89 12.056 -17.584 -7.902 684 HA SER 89 HA SER 89 13.219 -18.904 -6.388 685 1HB SER 89 HB2 SER 89 15.673 -17.533 -7.540 686 2HB SER 89 HB1 SER 89 15.582 -19.156 -6.860 687 HG SER 89 HG SER 89 15.064 -19.797 -8.783 688 H TYR 90 HN TYR 90 12.489 -16.104 -5.732 689 HA TYR 90 HA TYR 90 12.781 -14.514 -4.077 690 1HB TYR 90 HB2 TYR 90 13.110 -15.548 -1.816 691 2HB TYR 90 HB1 TYR 90 11.823 -16.285 -2.791 692 HD1 TYR 90 HD1 TYR 90 15.264 -16.707 -1.487 693 HD2 TYR 90 HD2 TYR 90 12.042 -18.527 -3.670 694 HE1 TYR 90 HE1 TYR 90 16.385 -18.912 -1.307 695 HE2 TYR 90 HE2 TYR 90 13.165 -20.730 -3.490 696 HH TYR 90 HH TYR 90 14.891 -21.777 -1.797 697 H ASN 91 HN ASN 91 14.325 -13.006 -3.838 698 HA ASN 91 HA ASN 91 17.110 -13.877 -3.141 699 1HB ASN 91 HB2 ASN 91 16.241 -12.696 -5.649 700 2HB ASN 91 HB1 ASN 91 17.511 -11.742 -4.872 701 1HD2 ASN 91 HD21 ASN 91 19.324 -13.366 -3.879 702 2HD2 ASN 91 HD22 ASN 91 19.847 -14.557 -4.970 703 HA PRO 92 HA PRO 92 16.803 -9.424 -1.556 704 1HB PRO 92 HB2 PRO 92 14.793 -7.724 -2.327 705 2HB PRO 92 HB1 PRO 92 16.268 -7.957 -3.276 706 1HG PRO 92 HG2 PRO 92 13.516 -8.967 -3.805 707 2HG PRO 92 HG1 PRO 92 14.814 -8.609 -4.951 708 1HD PRO 92 HD2 PRO 92 14.065 -11.199 -4.018 709 2HD PRO 92 HD1 PRO 92 15.503 -10.766 -4.940 710 H LEU 93 HN LEU 93 13.621 -10.957 -1.761 711 HA LEU 93 HA LEU 93 12.348 -9.540 0.317 712 1HB LEU 93 HB2 LEU 93 12.038 -12.541 0.231 713 2HB LEU 93 HB1 LEU 93 10.810 -11.300 0.485 714 HG LEU 93 HG LEU 93 11.626 -10.601 -2.011 715 1HD1 LEU 93 HD11 LEU 93 11.723 -13.611 -2.151 716 2HD1 LEU 93 HD12 LEU 93 13.194 -12.667 -1.899 717 3HD1 LEU 93 HD13 LEU 93 12.221 -12.423 -3.354 718 1HD2 LEU 93 HD21 LEU 93 9.701 -12.111 -2.836 719 2HD2 LEU 93 HD22 LEU 93 9.315 -10.926 -1.589 720 3HD2 LEU 93 HD23 LEU 93 9.545 -12.620 -1.154 721 H ALA 94 HN ALA 94 14.211 -12.477 0.555 722 HA ALA 94 HA ALA 94 14.735 -13.398 2.896 723 1HB ALA 94 HB1 ALA 94 17.080 -11.822 1.854 724 2HB ALA 94 HB2 ALA 94 16.437 -13.210 0.971 725 3HB ALA 94 HB3 ALA 94 17.067 -13.418 2.608 726 H GLY 95 HN GLY 95 15.881 -10.064 2.364 727 1HA GLY 95 HA2 GLY 95 16.272 -9.473 5.178 728 2HA GLY 95 HA1 GLY 95 16.176 -8.277 3.875 729 HA PRO 96 HA PRO 96 12.285 -8.068 6.224 730 1HB PRO 96 HB2 PRO 96 12.212 -5.172 6.097 731 2HB PRO 96 HB1 PRO 96 12.547 -6.170 7.520 732 1HG PRO 96 HG2 PRO 96 14.441 -4.596 5.980 733 2HG PRO 96 HG1 PRO 96 14.758 -5.554 7.429 734 1HD PRO 96 HD2 PRO 96 15.464 -6.199 4.671 735 2HD PRO 96 HD1 PRO 96 15.868 -7.102 6.143 736 H LEU 97 HN LEU 97 10.095 -6.624 5.236 737 HA LEU 97 HA LEU 97 10.219 -7.152 2.355 738 1HB LEU 97 HB2 LEU 97 7.929 -5.842 3.854 739 2HB LEU 97 HB1 LEU 97 7.861 -6.737 2.343 740 HG LEU 97 HG LEU 97 7.018 -8.223 4.001 741 1HD1 LEU 97 HD11 LEU 97 8.503 -10.077 3.822 742 2HD1 LEU 97 HD12 LEU 97 9.918 -9.030 3.724 743 3HD1 LEU 97 HD13 LEU 97 8.777 -9.099 2.382 744 1HD2 LEU 97 HD21 LEU 97 8.415 -6.800 5.873 745 2HD2 LEU 97 HD22 LEU 97 9.427 -8.239 5.764 746 3HD2 LEU 97 HD23 LEU 97 7.723 -8.390 6.173 747 H ARG 98 HN ARG 98 9.328 -4.243 4.287 748 HA ARG 98 HA ARG 98 9.186 -2.262 2.431 749 1HB ARG 98 HB2 ARG 98 9.034 -1.564 4.661 750 2HB ARG 98 HB1 ARG 98 10.553 -2.334 5.112 751 1HG ARG 98 HG2 ARG 98 11.849 -0.637 4.115 752 2HG ARG 98 HG1 ARG 98 10.497 -0.033 3.163 753 1HD ARG 98 HD2 ARG 98 10.921 1.491 5.031 754 2HD ARG 98 HD1 ARG 98 9.371 0.683 5.269 755 HE ARG 98 HE ARG 98 11.173 -0.937 6.613 756 1HH1 ARG 98 HH21 ARG 98 10.351 2.410 6.589 757 2HH1 ARG 98 HH22 ARG 98 10.737 2.653 8.260 758 1HH2 ARG 98 HH11 ARG 98 11.682 -0.640 8.795 759 2HH2 ARG 98 HH12 ARG 98 11.491 0.927 9.509 760 H VAL 99 HN VAL 99 11.921 -4.120 3.213 761 HA VAL 99 HA VAL 99 13.962 -2.511 1.773 762 HB VAL 99 HB VAL 99 13.916 -5.024 3.418 763 1HG1 VAL 99 HG11 VAL 99 16.314 -5.483 2.610 764 2HG1 VAL 99 HG12 VAL 99 15.930 -4.478 1.213 765 3HG1 VAL 99 HG13 VAL 99 15.021 -5.960 1.508 766 1HG2 VAL 99 HG21 VAL 99 15.817 -2.659 3.172 767 2HG2 VAL 99 HG22 VAL 99 15.975 -3.956 4.351 768 3HG2 VAL 99 HG23 VAL 99 14.581 -2.877 4.411 769 H GLN 100 HN GLN 100 12.221 -5.579 1.264 770 HA GLN 100 HA GLN 100 13.427 -6.385 -1.084 771 1HB GLN 100 HB2 GLN 100 11.635 -7.814 -1.407 772 2HB GLN 100 HB1 GLN 100 11.381 -7.381 0.278 773 1HG GLN 100 HG2 GLN 100 9.807 -5.564 -0.515 774 2HG GLN 100 HG1 GLN 100 9.959 -6.228 -2.141 775 1HE2 GLN 100 HE21 GLN 100 8.411 -7.771 -2.654 776 2HE2 GLN 100 HE22 GLN 100 7.575 -8.726 -1.526 777 H ALA 101 HN ALA 101 10.674 -4.054 -0.929 778 HA ALA 101 HA ALA 101 11.067 -3.537 -3.817 779 1HB ALA 101 HB1 ALA 101 9.111 -1.918 -3.425 780 2HB ALA 101 HB2 ALA 101 9.050 -2.552 -1.780 781 3HB ALA 101 HB3 ALA 101 8.766 -3.624 -3.151 782 H ASN 102 HN ASN 102 11.725 -1.811 -0.799 783 HA ASN 102 HA ASN 102 12.288 0.708 -2.104 784 1HB ASN 102 HB2 ASN 102 13.324 -0.442 0.509 785 2HB ASN 102 HB1 ASN 102 13.605 1.212 -0.029 786 1HD2 ASN 102 HD21 ASN 102 10.561 0.071 -1.084 787 2HD2 ASN 102 HD22 ASN 102 9.611 0.797 0.121 788 H ASN 103 HN ASN 103 13.438 -1.484 -3.579 789 HA ASN 103 HA ASN 103 16.370 -0.997 -3.225 790 1HB ASN 103 HB2 ASN 103 15.710 -3.316 -2.767 791 2HB ASN 103 HB1 ASN 103 14.962 -3.416 -4.361 792 1HD2 ASN 103 HD21 ASN 103 16.703 -5.265 -4.484 793 2HD2 ASN 103 HD22 ASN 103 18.231 -4.814 -5.068 794 HA PRO 104 HA PRO 104 15.562 0.978 -7.331 795 1HB PRO 104 HB2 PRO 104 18.471 1.273 -7.525 796 2HB PRO 104 HB1 PRO 104 17.232 2.533 -7.426 797 1HG PRO 104 HG2 PRO 104 19.046 1.833 -5.370 798 2HG PRO 104 HG1 PRO 104 17.604 2.841 -5.183 799 1HD PRO 104 HD2 PRO 104 18.047 0.097 -4.256 800 2HD PRO 104 HD1 PRO 104 16.710 1.200 -3.855 801 H GLN 105 HN GLN 105 17.680 -1.681 -6.486 802 HA GLN 105 HA GLN 105 18.173 -2.392 -9.291 803 1HB GLN 105 HB2 GLN 105 18.715 -3.972 -6.758 804 2HB GLN 105 HB1 GLN 105 19.365 -4.322 -8.360 805 1HG GLN 105 HG2 GLN 105 19.834 -1.731 -6.858 806 2HG GLN 105 HG1 GLN 105 20.976 -3.075 -6.903 807 1HE2 GLN 105 HE21 GLN 105 22.234 -3.364 -8.820 808 2HE2 GLN 105 HE22 GLN 105 22.150 -2.311 -10.149 809 H GLN 106 HN GLN 106 16.986 -4.649 -6.807 810 HA GLN 106 HA GLN 106 15.355 -5.998 -8.790 811 1HB GLN 106 HB2 GLN 106 15.274 -6.335 -5.782 812 2HB GLN 106 HB1 GLN 106 14.741 -7.495 -7.001 813 1HG GLN 106 HG2 GLN 106 17.594 -6.507 -6.697 814 2HG GLN 106 HG1 GLN 106 16.995 -8.049 -6.086 815 1HE2 GLN 106 HE21 GLN 106 18.715 -6.855 -8.623 816 2HE2 GLN 106 HE22 GLN 106 18.254 -7.948 -9.837 817 H GLN 107 HN GLN 107 14.019 -4.104 -9.415 818 HA GLN 107 HA GLN 107 11.997 -3.219 -7.431 819 1HB GLN 107 HB2 GLN 107 11.186 -1.887 -9.529 820 2HB GLN 107 HB1 GLN 107 12.710 -1.418 -8.771 821 1HG GLN 107 HG2 GLN 107 13.998 -2.568 -10.431 822 2HG GLN 107 HG1 GLN 107 12.567 -3.377 -11.071 823 1HE2 GLN 107 HE21 GLN 107 11.314 -2.254 -12.634 824 2HE2 GLN 107 HE22 GLN 107 11.667 -0.681 -13.163 825 H GLY 108 HN GLY 108 12.336 -5.722 -9.721 826 1HA GLY 108 HA2 GLY 108 9.744 -5.915 -10.863 827 2HA GLY 108 HA1 GLY 108 10.778 -7.303 -10.514 828 H LEU 109 HN LEU 109 10.950 -6.716 -7.695 829 HA LEU 109 HA LEU 109 8.450 -7.998 -6.805 830 1HB LEU 109 HB2 LEU 109 10.872 -7.084 -5.240 831 2HB LEU 109 HB1 LEU 109 9.530 -8.032 -4.603 832 HG LEU 109 HG LEU 109 10.141 -9.615 -6.703 833 1HD1 LEU 109 HD11 LEU 109 12.632 -9.719 -6.923 834 2HD1 LEU 109 HD12 LEU 109 12.747 -8.228 -5.990 835 3HD1 LEU 109 HD13 LEU 109 11.949 -8.225 -7.562 836 1HD2 LEU 109 HD21 LEU 109 11.839 -10.746 -5.015 837 2HD2 LEU 109 HD22 LEU 109 10.125 -10.642 -4.610 838 3HD2 LEU 109 HD23 LEU 109 11.262 -9.486 -3.921 839 H ARG 110 HN ARG 110 9.199 -4.830 -7.424 840 HA ARG 110 HA ARG 110 7.560 -3.821 -5.127 841 1HB ARG 110 HB2 ARG 110 9.632 -2.551 -5.623 842 2HB ARG 110 HB1 ARG 110 9.069 -2.286 -7.275 843 1HG ARG 110 HG2 ARG 110 7.257 -0.926 -6.573 844 2HG ARG 110 HG1 ARG 110 7.375 -1.487 -4.910 845 1HD ARG 110 HD2 ARG 110 9.895 -0.312 -5.425 846 2HD ARG 110 HD1 ARG 110 8.742 0.769 -6.193 847 HE ARG 110 HE ARG 110 9.235 0.656 -3.423 848 1HH1 ARG 110 HH21 ARG 110 6.540 0.376 -5.560 849 2HH1 ARG 110 HH22 ARG 110 5.377 0.821 -4.357 850 1HH2 ARG 110 HH11 ARG 110 7.732 1.224 -1.848 851 2HH2 ARG 110 HH12 ARG 110 6.051 1.301 -2.259 852 H ARG 111 HN ARG 111 7.436 -4.346 -8.577 853 HA ARG 111 HA ARG 111 4.777 -3.013 -8.715 854 1HB ARG 111 HB2 ARG 111 4.953 -4.406 -11.065 855 2HB ARG 111 HB1 ARG 111 5.614 -2.787 -10.868 856 1HG ARG 111 HG2 ARG 111 7.335 -5.146 -10.137 857 2HG ARG 111 HG1 ARG 111 7.122 -4.744 -11.833 858 1HD ARG 111 HD2 ARG 111 8.136 -2.850 -9.691 859 2HD ARG 111 HD1 ARG 111 9.115 -3.628 -10.934 860 HE ARG 111 HE ARG 111 7.161 -2.295 -12.374 861 1HH1 ARG 111 HH21 ARG 111 9.443 -1.492 -9.916 862 2HH1 ARG 111 HH22 ARG 111 9.647 0.142 -10.454 863 1HH2 ARG 111 HH11 ARG 111 7.415 -0.166 -13.089 864 2HH2 ARG 111 HH12 ARG 111 8.499 0.892 -12.250 865 H GLU 112 HN GLU 112 6.180 -6.136 -8.140 866 HA GLU 112 HA GLU 112 3.653 -7.563 -8.500 867 1HB GLU 112 HB2 GLU 112 5.828 -8.759 -8.658 868 2HB GLU 112 HB1 GLU 112 6.151 -8.365 -6.970 869 1HG GLU 112 HG2 GLU 112 4.303 -9.690 -6.211 870 2HG GLU 112 HG1 GLU 112 3.691 -9.888 -7.854 871 H TYR 113 HN TYR 113 5.525 -6.206 -5.824 872 HA TYR 113 HA TYR 113 4.026 -6.977 -3.601 873 1HB TYR 113 HB2 TYR 113 6.014 -5.138 -4.019 874 2HB TYR 113 HB1 TYR 113 4.680 -4.056 -3.691 875 HD1 TYR 113 HD1 TYR 113 7.351 -5.143 -2.090 876 HD2 TYR 113 HD2 TYR 113 3.095 -5.575 -1.733 877 HE1 TYR 113 HE1 TYR 113 7.602 -5.566 0.336 878 HE2 TYR 113 HE2 TYR 113 3.351 -6.000 0.691 879 HH TYR 113 HH TYR 113 4.996 -6.730 2.272 880 H GLN 114 HN GLN 114 3.480 -3.862 -5.270 881 HA GLN 114 HA GLN 114 1.056 -3.127 -4.251 882 1HB GLN 114 HB2 GLN 114 1.761 -3.016 -7.193 883 2HB GLN 114 HB1 GLN 114 0.609 -1.977 -6.355 884 1HG GLN 114 HG2 GLN 114 2.380 -1.018 -4.994 885 2HG GLN 114 HG1 GLN 114 3.554 -2.152 -5.655 886 1HE2 GLN 114 HE21 GLN 114 1.725 -1.572 -8.284 887 2HE2 GLN 114 HE22 GLN 114 2.518 -0.216 -8.925 888 H GLN 115 HN GLN 115 1.536 -5.516 -6.839 889 HA GLN 115 HA GLN 115 -1.177 -5.971 -7.485 890 1HB GLN 115 HB2 GLN 115 0.945 -6.975 -8.572 891 2HB GLN 115 HB1 GLN 115 0.846 -8.212 -7.319 892 1HG GLN 115 HG2 GLN 115 -1.446 -8.764 -8.029 893 2HG GLN 115 HG1 GLN 115 -1.365 -7.518 -9.274 894 1HE2 GLN 115 HE21 GLN 115 1.056 -7.861 -10.484 895 2HE2 GLN 115 HE22 GLN 115 1.227 -9.435 -11.097 896 H LEU 116 HN LEU 116 0.771 -7.227 -4.813 897 HA LEU 116 HA LEU 116 -1.478 -8.877 -3.828 898 1HB LEU 116 HB2 LEU 116 1.139 -8.332 -2.412 899 2HB LEU 116 HB1 LEU 116 0.060 -9.712 -2.212 900 HG LEU 116 HG LEU 116 1.658 -9.057 -4.705 901 1HD1 LEU 116 HD11 LEU 116 2.790 -11.233 -4.111 902 2HD1 LEU 116 HD12 LEU 116 1.938 -11.186 -2.568 903 3HD1 LEU 116 HD13 LEU 116 3.100 -9.923 -2.972 904 1HD2 LEU 116 HD21 LEU 116 -0.335 -10.123 -5.441 905 2HD2 LEU 116 HD22 LEU 116 -0.372 -11.201 -4.046 906 3HD2 LEU 116 HD23 LEU 116 0.836 -11.433 -5.309 907 H TRP 117 HN TRP 117 -0.119 -5.731 -3.356 908 HA TRP 117 HA TRP 117 -1.214 -5.299 -0.700 909 1HB TRP 117 HB2 TRP 117 0.733 -4.037 -1.965 910 2HB TRP 117 HB1 TRP 117 -0.579 -3.073 -2.637 911 HD1 TRP 117 HD1 TRP 117 -2.289 -1.960 -0.738 912 HE1 TRP 117 HE1 TRP 117 -1.685 -0.929 1.548 913 HE3 TRP 117 HE3 TRP 117 2.314 -4.037 -0.029 914 HZ2 TRP 117 HZ2 TRP 117 0.472 -0.984 3.430 915 HZ3 TRP 117 HZ3 TRP 117 3.623 -3.536 2.016 916 HH2 TRP 117 HH2 TRP 117 2.708 -2.011 3.744 917 H LEU 118 HN LEU 118 -2.262 -4.705 -4.043 918 HA LEU 118 HA LEU 118 -4.688 -3.286 -3.196 919 1HB LEU 118 HB2 LEU 118 -3.982 -4.472 -5.898 920 2HB LEU 118 HB1 LEU 118 -5.236 -3.279 -5.565 921 HG LEU 118 HG LEU 118 -2.331 -2.747 -4.905 922 1HD1 LEU 118 HD11 LEU 118 -3.794 -2.175 -7.493 923 2HD1 LEU 118 HD12 LEU 118 -2.406 -3.242 -7.289 924 3HD1 LEU 118 HD13 LEU 118 -2.222 -1.502 -7.062 925 1HD2 LEU 118 HD21 LEU 118 -3.146 -0.372 -5.212 926 2HD2 LEU 118 HD22 LEU 118 -3.864 -1.213 -3.843 927 3HD2 LEU 118 HD23 LEU 118 -4.782 -1.011 -5.336 928 H ALA 119 HN ALA 119 -3.721 -6.583 -3.966 929 HA ALA 119 HA ALA 119 -6.460 -7.571 -4.114 930 1HB ALA 119 HB1 ALA 119 -4.457 -8.848 -5.001 931 2HB ALA 119 HB2 ALA 119 -5.460 -9.793 -3.901 932 3HB ALA 119 HB3 ALA 119 -3.943 -9.096 -3.333 933 H ALA 120 HN ALA 120 -4.403 -6.452 -1.646 934 HA ALA 120 HA ALA 120 -6.060 -7.741 0.495 935 1HB ALA 120 HB1 ALA 120 -3.730 -7.892 1.033 936 2HB ALA 120 HB2 ALA 120 -4.364 -6.562 2.007 937 3HB ALA 120 HB3 ALA 120 -3.437 -6.222 0.544 938 H PHE 121 HN PHE 121 -5.962 -5.015 -1.471 939 HA PHE 121 HA PHE 121 -7.316 -3.313 0.605 940 1HB PHE 121 HB2 PHE 121 -5.143 -2.649 -0.999 941 2HB PHE 121 HB1 PHE 121 -6.481 -1.968 -1.908 942 HD1 PHE 121 HD1 PHE 121 -8.323 -0.791 -0.229 943 HD2 PHE 121 HD2 PHE 121 -4.112 -1.200 0.515 944 HE1 PHE 121 HE1 PHE 121 -8.417 1.105 1.363 945 HE2 PHE 121 HE2 PHE 121 -4.207 0.703 2.098 946 HZ PHE 121 HZ PHE 121 -6.360 1.857 2.522 947 H ALA 122 HN ALA 122 -7.709 -4.979 -2.415 948 HA ALA 122 HA ALA 122 -10.352 -3.622 -2.899 949 1HB ALA 122 HB1 ALA 122 -9.951 -5.500 -4.945 950 2HB ALA 122 HB2 ALA 122 -8.326 -4.896 -4.636 951 3HB ALA 122 HB3 ALA 122 -9.614 -3.777 -5.075 952 H ALA 123 HN ALA 123 -8.933 -6.557 -1.761 953 HA ALA 123 HA ALA 123 -11.599 -7.888 -1.840 954 1HB ALA 123 HB1 ALA 123 -9.504 -9.208 -2.336 955 2HB ALA 123 HB2 ALA 123 -10.417 -9.840 -0.966 956 3HB ALA 123 HB3 ALA 123 -8.963 -8.881 -0.690 957 H LEU 124 HN LEU 124 -10.362 -5.474 -0.236 958 HA LEU 124 HA LEU 124 -10.147 -6.166 2.405 959 1HB LEU 124 HB2 LEU 124 -10.392 -3.727 0.914 960 2HB LEU 124 HB1 LEU 124 -11.360 -3.559 2.379 961 HG LEU 124 HG LEU 124 -8.502 -4.536 2.398 962 1HD1 LEU 124 HD11 LEU 124 -8.996 -2.050 1.616 963 2HD1 LEU 124 HD12 LEU 124 -7.688 -2.406 2.739 964 3HD1 LEU 124 HD13 LEU 124 -9.229 -1.794 3.344 965 1HD2 LEU 124 HD21 LEU 124 -10.415 -4.834 4.300 966 2HD2 LEU 124 HD22 LEU 124 -9.736 -3.274 4.772 967 3HD2 LEU 124 HD23 LEU 124 -8.701 -4.687 4.645 968 HA PRO 125 HA PRO 125 -14.879 -4.832 2.920 969 1HB PRO 125 HB2 PRO 125 -16.087 -5.893 0.482 970 2HB PRO 125 HB1 PRO 125 -16.286 -4.289 1.213 971 1HG PRO 125 HG2 PRO 125 -14.735 -4.928 -1.108 972 2HG PRO 125 HG1 PRO 125 -14.808 -3.374 -0.270 973 1HD PRO 125 HD2 PRO 125 -12.602 -5.214 -0.344 974 2HD PRO 125 HD1 PRO 125 -12.686 -3.669 0.517 975 H GLY 126 HN GLY 126 -14.530 -7.597 0.717 976 1HA GLY 126 HA2 GLY 126 -15.768 -9.304 2.798 977 2HA GLY 126 HA1 GLY 126 -15.456 -9.773 1.124 978 H SER 127 HN SER 127 -13.582 -8.728 3.976 979 HA SER 127 HA SER 127 -12.328 -11.087 4.465 980 1HB SER 127 HB2 SER 127 -11.258 -10.135 1.970 981 2HB SER 127 HB1 SER 127 -9.954 -10.222 3.130 982 HG SER 127 HG SER 127 -10.035 -12.256 2.565 983 H ALA 128 HN ALA 128 -12.033 -7.638 4.875 984 HA ALA 128 HA ALA 128 -10.753 -8.117 7.395 985 1HB ALA 128 HB1 ALA 128 -8.698 -8.586 6.387 986 2HB ALA 128 HB2 ALA 128 -8.541 -6.861 6.680 987 3HB ALA 128 HB3 ALA 128 -8.967 -7.447 5.069 988 H LYS 129 HN LYS 129 -12.703 -6.582 7.544 989 HA LYS 129 HA LYS 129 -11.580 -3.988 8.122 990 1HB LYS 129 HB2 LYS 129 -12.851 -2.583 6.601 991 2HB LYS 129 HB1 LYS 129 -11.765 -3.669 5.772 992 1HG LYS 129 HG2 LYS 129 -13.452 -4.715 4.663 993 2HG LYS 129 HG1 LYS 129 -14.439 -4.846 6.105 994 1HD LYS 129 HD2 LYS 129 -15.531 -3.411 4.416 995 2HD LYS 129 HD1 LYS 129 -15.146 -2.486 5.850 996 1HE LYS 129 HE2 LYS 129 -13.917 -1.046 4.592 997 2HE LYS 129 HE1 LYS 129 -12.872 -2.367 4.072 998 1HZ LYS 129 HZ1 LYS 129 -14.357 -2.871 2.296 999 2HZ LYS 129 HZ2 LYS 129 -14.015 -1.208 2.237 1000 3HZ LYS 129 HZ3 LYS 129 -15.504 -1.750 2.849 1001 H ASP 130 HN ASP 130 -14.354 -2.902 7.326 1002 HA ASP 130 HA ASP 130 -16.495 -4.024 8.860 1003 1HB ASP 130 HB2 ASP 130 -14.603 -2.171 10.270 1004 2HB ASP 130 HB1 ASP 130 -16.325 -1.961 10.584 1005 HA PRO 131 HA PRO 131 -17.466 -0.446 6.074 1006 1HB PRO 131 HB2 PRO 131 -19.026 -1.775 4.280 1007 2HB PRO 131 HB1 PRO 131 -17.255 -1.875 4.198 1008 1HG PRO 131 HG2 PRO 131 -19.210 -3.922 5.191 1009 2HG PRO 131 HG1 PRO 131 -17.650 -4.171 4.399 1010 1HD PRO 131 HD2 PRO 131 -18.145 -4.299 7.207 1011 2HD PRO 131 HD1 PRO 131 -16.554 -4.247 6.438 1012 H SER 132 HN SER 132 -19.475 -2.915 7.547 1013 HA SER 132 HA SER 132 -21.601 -2.680 8.657 1014 1HB SER 132 HB2 SER 132 -22.191 -0.581 9.429 1015 2HB SER 132 HB1 SER 132 -20.524 -0.218 8.996 1016 HG SER 132 HG SER 132 -22.912 0.335 7.599 1017 H TRP 133 HN TRP 133 -21.395 -3.676 6.173 1018 HA TRP 133 HA TRP 133 -22.535 -4.074 4.185 1019 1HB TRP 133 HB2 TRP 133 -24.800 -2.882 5.817 1020 2HB TRP 133 HB1 TRP 133 -25.005 -3.805 4.328 1021 HD1 TRP 133 HD1 TRP 133 -24.343 -4.184 8.013 1022 HE1 TRP 133 HE1 TRP 133 -24.238 -6.687 8.620 1023 HE3 TRP 133 HE3 TRP 133 -24.296 -6.229 3.331 1024 HZ2 TRP 133 HZ2 TRP 133 -24.145 -9.220 7.298 1025 HZ3 TRP 133 HZ3 TRP 133 -24.199 -8.689 3.036 1026 HH2 TRP 133 HH2 TRP 133 -24.124 -10.185 5.012 1027 H ALA 134 HN ALA 134 -22.050 -2.929 2.429 1028 HA ALA 134 HA ALA 134 -22.821 -0.029 2.294 1029 1HB ALA 134 HB1 ALA 134 -20.350 -0.710 2.125 1030 2HB ALA 134 HB2 ALA 134 -20.975 0.312 0.831 1031 3HB ALA 134 HB3 ALA 134 -20.765 -1.419 0.565 Start of MODEL 6 1 HT1 PRO 1 HT2 PRO 1 6.534 9.455 -0.079 2 HT2 PRO 1 HT1 PRO 1 7.295 10.847 0.535 3 HA PRO 1 HA PRO 1 7.683 8.064 1.236 4 1HB PRO 1 HB2 PRO 1 10.136 9.723 1.488 5 2HB PRO 1 HB1 PRO 1 9.983 8.001 1.126 6 1HG PRO 1 HG2 PRO 1 10.524 9.954 -0.776 7 2HG PRO 1 HG1 PRO 1 9.851 8.357 -1.131 8 1HD PRO 1 HD2 PRO 1 8.515 10.939 -1.312 9 2HD PRO 1 HD1 PRO 1 7.916 9.353 -1.812 10 H VAL 2 HN VAL 2 8.781 8.186 3.533 11 HA VAL 2 HA VAL 2 7.870 10.590 5.041 12 HB VAL 2 HB VAL 2 7.217 7.705 5.726 13 1HG1 VAL 2 HG11 VAL 2 7.723 8.773 7.781 14 2HG1 VAL 2 HG12 VAL 2 5.966 8.855 7.644 15 3HG1 VAL 2 HG13 VAL 2 6.948 10.275 7.277 16 1HG2 VAL 2 HG21 VAL 2 4.914 8.339 5.441 17 2HG2 VAL 2 HG22 VAL 2 5.779 8.875 3.999 18 3HG2 VAL 2 HG23 VAL 2 5.355 10.038 5.254 19 H MET 3 HN MET 3 9.698 11.294 6.086 20 HA MET 3 HA MET 3 11.823 9.288 6.711 21 1HB MET 3 HB2 MET 3 11.847 12.290 6.451 22 2HB MET 3 HB1 MET 3 13.256 11.290 6.813 23 1HG MET 3 HG2 MET 3 13.086 10.148 4.704 24 2HG MET 3 HG1 MET 3 11.501 10.853 4.370 25 1HE MET 3 HE1 MET 3 13.740 10.648 2.514 26 2HE MET 3 HE2 MET 3 15.199 11.207 3.327 27 3HE MET 3 HE3 MET 3 14.519 12.152 2.005 28 H HIS 4 HN HIS 4 12.522 8.958 8.767 29 HA HIS 4 HA HIS 4 11.698 10.759 10.973 30 1HB HIS 4 HB2 HIS 4 10.883 8.755 12.280 31 2HB HIS 4 HB1 HIS 4 9.842 9.220 10.934 32 HD1 HIS 4 HD1 HIS 4 10.283 7.816 8.635 33 HD2 HIS 4 HD2 HIS 4 11.765 6.128 12.147 34 HE1 HIS 4 HE1 HIS 4 10.733 5.377 8.123 35 HA PRO 5 HA PRO 5 15.979 8.934 11.184 36 1HB PRO 5 HB2 PRO 5 16.881 11.469 12.278 37 2HB PRO 5 HB1 PRO 5 17.296 10.747 10.717 38 1HG PRO 5 HG2 PRO 5 15.600 13.021 11.167 39 2HG PRO 5 HG1 PRO 5 15.926 12.222 9.623 40 1HD PRO 5 HD2 PRO 5 13.491 12.123 11.226 41 2HD PRO 5 HD1 PRO 5 13.763 11.456 9.604 42 H HIS 6 HN HIS 6 16.919 8.124 13.090 43 HA HIS 6 HA HIS 6 15.398 7.785 15.395 44 1HB HIS 6 HB2 HIS 6 17.458 6.510 14.916 45 2HB HIS 6 HB1 HIS 6 18.424 7.949 15.243 46 HD1 HIS 6 HD1 HIS 6 15.912 5.699 17.020 47 HD2 HIS 6 HD2 HIS 6 19.067 8.271 17.919 48 HE1 HIS 6 HE1 HIS 6 16.304 5.507 19.515 49 H GLY 7 HN GLY 7 14.827 9.093 17.065 50 1HA GLY 7 HA2 GLY 7 14.679 11.025 18.386 51 2HA GLY 7 HA1 GLY 7 16.440 11.057 18.292 52 H ALA 8 HN ALA 8 13.591 11.836 16.260 53 HA ALA 8 HA ALA 8 14.609 14.496 15.773 54 1HB ALA 8 HB1 ALA 8 14.328 13.115 13.158 55 2HB ALA 8 HB2 ALA 8 15.704 12.579 14.116 56 3HB ALA 8 HB3 ALA 8 15.546 14.279 13.684 57 HA PRO 9 HA PRO 9 10.356 14.947 14.690 58 1HB PRO 9 HB2 PRO 9 10.397 16.708 12.507 59 2HB PRO 9 HB1 PRO 9 10.573 17.194 14.202 60 1HG PRO 9 HG2 PRO 9 12.609 17.229 12.109 61 2HG PRO 9 HG1 PRO 9 12.737 17.832 13.769 62 1HD PRO 9 HD2 PRO 9 13.756 15.312 12.650 63 2HD PRO 9 HD1 PRO 9 14.110 16.047 14.231 64 HA PRO 10 HA PRO 10 9.542 12.303 11.197 65 1HB PRO 10 HB2 PRO 10 6.843 12.962 10.706 66 2HB PRO 10 HB1 PRO 10 7.397 11.754 11.875 67 1HG PRO 10 HG2 PRO 10 6.312 14.459 12.383 68 2HG PRO 10 HG1 PRO 10 6.475 13.097 13.502 69 1HD PRO 10 HD2 PRO 10 8.141 15.423 13.407 70 2HD PRO 10 HD1 PRO 10 8.417 13.945 14.358 71 H ASN 11 HN ASN 11 10.754 13.214 9.526 72 HA ASN 11 HA ASN 11 9.907 15.713 8.258 73 1HB ASN 11 HB2 ASN 11 12.224 13.862 8.080 74 2HB ASN 11 HB1 ASN 11 11.824 14.691 6.576 75 1HD2 ASN 11 HD21 ASN 11 13.795 14.992 9.205 76 2HD2 ASN 11 HD22 ASN 11 13.906 16.683 9.300 77 H HIS 12 HN HIS 12 7.705 14.815 7.773 78 HA HIS 12 HA HIS 12 7.421 12.724 5.814 79 1HB HIS 12 HB2 HIS 12 5.606 14.853 6.942 80 2HB HIS 12 HB1 HIS 12 5.081 13.895 5.559 81 HD1 HIS 12 HD1 HIS 12 6.897 12.931 8.786 82 HD2 HIS 12 HD2 HIS 12 3.541 11.850 6.564 83 HE1 HIS 12 HE1 HIS 12 5.838 10.972 9.994 84 H ARG 13 HN ARG 13 7.225 12.899 3.591 85 HA ARG 13 HA ARG 13 8.211 15.431 2.411 86 1HB ARG 13 HB2 ARG 13 7.979 12.573 1.574 87 2HB ARG 13 HB1 ARG 13 7.913 13.760 0.282 88 1HG ARG 13 HG2 ARG 13 10.096 14.501 0.661 89 2HG ARG 13 HG1 ARG 13 10.085 14.019 2.354 90 1HD ARG 13 HD2 ARG 13 10.824 11.900 1.875 91 2HD ARG 13 HD1 ARG 13 9.819 11.770 0.434 92 HE ARG 13 HE ARG 13 11.763 13.609 -0.287 93 1HH1 ARG 13 HH21 ARG 13 11.706 10.430 1.043 94 2HH1 ARG 13 HH22 ARG 13 13.188 9.945 0.292 95 1HH2 ARG 13 HH11 ARG 13 13.704 12.995 -1.270 96 2HH2 ARG 13 HH12 ARG 13 14.320 11.396 -1.015 97 HA PRO 14 HA PRO 14 4.377 17.073 1.117 98 1HB PRO 14 HB2 PRO 14 4.990 16.960 -1.768 99 2HB PRO 14 HB1 PRO 14 4.781 18.375 -0.726 100 1HG PRO 14 HG2 PRO 14 7.262 17.307 -1.706 101 2HG PRO 14 HG1 PRO 14 7.054 18.644 -0.565 102 1HD PRO 14 HD2 PRO 14 8.088 16.024 0.014 103 2HD PRO 14 HD1 PRO 14 7.772 17.332 1.169 104 H TRP 15 HN TRP 15 2.589 15.729 1.232 105 HA TRP 15 HA TRP 15 2.566 13.135 -0.127 106 1HB TRP 15 HB2 TRP 15 0.233 14.462 1.270 107 2HB TRP 15 HB1 TRP 15 0.529 12.737 1.047 108 HD1 TRP 15 HD1 TRP 15 3.482 12.501 1.961 109 HE1 TRP 15 HE1 TRP 15 4.132 12.859 4.429 110 HE3 TRP 15 HE3 TRP 15 -0.527 15.242 3.538 111 HZ2 TRP 15 HZ2 TRP 15 3.088 14.144 6.765 112 HZ3 TRP 15 HZ3 TRP 15 -0.673 16.020 5.886 113 HH2 TRP 15 HH2 TRP 15 1.128 15.475 7.500 114 H GLN 16 HN GLN 16 2.244 16.108 -1.279 115 HA GLN 16 HA GLN 16 1.221 17.075 -3.123 116 1HB GLN 16 HB2 GLN 16 1.107 14.127 -3.760 117 2HB GLN 16 HB1 GLN 16 0.341 15.285 -4.844 118 1HG GLN 16 HG2 GLN 16 2.401 16.402 -5.268 119 2HG GLN 16 HG1 GLN 16 3.209 15.578 -3.933 120 1HE2 GLN 16 HE21 GLN 16 4.328 13.684 -4.468 121 2HE2 GLN 16 HE22 GLN 16 4.138 12.827 -5.921 122 H MET 17 HN MET 17 -0.896 17.611 -4.015 123 HA MET 17 HA MET 17 -3.182 16.783 -2.253 124 1HB MET 17 HB2 MET 17 -2.847 19.124 -4.153 125 2HB MET 17 HB1 MET 17 -4.257 18.811 -3.140 126 1HG MET 17 HG2 MET 17 -2.733 18.895 -1.131 127 2HG MET 17 HG1 MET 17 -1.442 19.432 -2.208 128 1HE MET 17 HE1 MET 17 -2.691 21.055 0.402 129 2HE MET 17 HE2 MET 17 -2.377 22.650 -0.278 130 3HE MET 17 HE3 MET 17 -1.217 21.349 -0.533 131 H LYS 18 HN LYS 18 -2.528 17.487 -5.719 132 HA LYS 18 HA LYS 18 -4.957 16.360 -6.661 133 1HB LYS 18 HB2 LYS 18 -3.783 16.114 -8.828 134 2HB LYS 18 HB1 LYS 18 -3.465 17.691 -8.105 135 1HG LYS 18 HG2 LYS 18 -1.365 16.617 -7.082 136 2HG LYS 18 HG1 LYS 18 -1.640 15.284 -8.204 137 1HD LYS 18 HD2 LYS 18 -1.197 18.197 -8.924 138 2HD LYS 18 HD1 LYS 18 -0.099 16.853 -9.238 139 1HE LYS 18 HE2 LYS 18 -1.205 17.160 -11.300 140 2HE LYS 18 HE1 LYS 18 -2.074 15.815 -10.562 141 1HZ LYS 18 HZ1 LYS 18 -3.922 17.023 -10.387 142 2HZ LYS 18 HZ2 LYS 18 -3.196 18.104 -11.478 143 3HZ LYS 18 HZ3 LYS 18 -3.100 18.389 -9.806 144 H ASP 19 HN ASP 19 -2.069 14.905 -5.446 145 HA ASP 19 HA ASP 19 -2.242 12.333 -6.652 146 1HB ASP 19 HB2 ASP 19 -0.268 13.085 -5.428 147 2HB ASP 19 HB1 ASP 19 -1.195 13.134 -3.927 148 H LEU 20 HN LEU 20 -2.826 12.708 -3.158 149 HA LEU 20 HA LEU 20 -4.595 10.483 -3.094 150 1HB LEU 20 HB2 LEU 20 -5.014 11.079 -0.784 151 2HB LEU 20 HB1 LEU 20 -3.303 11.258 -1.150 152 HG LEU 20 HG LEU 20 -4.207 13.795 -1.754 153 1HD1 LEU 20 HD11 LEU 20 -6.481 13.377 -0.958 154 2HD1 LEU 20 HD12 LEU 20 -5.669 14.481 0.149 155 3HD1 LEU 20 HD13 LEU 20 -5.861 12.783 0.581 156 1HD2 LEU 20 HD21 LEU 20 -3.325 12.770 0.964 157 2HD2 LEU 20 HD22 LEU 20 -3.292 14.459 0.456 158 3HD2 LEU 20 HD23 LEU 20 -2.262 13.276 -0.349 159 H GLN 21 HN GLN 21 -5.227 13.987 -3.221 160 HA GLN 21 HA GLN 21 -7.952 14.087 -2.749 161 1HB GLN 21 HB2 GLN 21 -6.574 16.059 -3.358 162 2HB GLN 21 HB1 GLN 21 -6.543 15.498 -5.031 163 1HG GLN 21 HG2 GLN 21 -8.895 15.792 -5.279 164 2HG GLN 21 HG1 GLN 21 -9.128 15.978 -3.540 165 1HE2 GLN 21 HE21 GLN 21 -7.767 17.602 -6.418 166 2HE2 GLN 21 HE22 GLN 21 -7.778 19.159 -5.743 167 H ALA 22 HN ALA 22 -6.627 13.680 -6.048 168 HA ALA 22 HA ALA 22 -9.028 13.007 -7.322 169 1HB ALA 22 HB1 ALA 22 -7.490 11.639 -8.894 170 2HB ALA 22 HB2 ALA 22 -6.171 12.167 -7.845 171 3HB ALA 22 HB3 ALA 22 -7.140 13.358 -8.715 172 H ILE 23 HN ILE 23 -6.954 10.938 -5.341 173 HA ILE 23 HA ILE 23 -8.590 8.552 -5.989 174 HB ILE 23 HB ILE 23 -6.108 9.090 -4.372 175 1HG1 ILE 23 HG12 ILE 23 -5.103 7.472 -5.868 176 2HG1 ILE 23 HG11 ILE 23 -6.675 7.036 -6.521 177 1HG2 ILE 23 HG21 ILE 23 -6.231 6.501 -3.918 178 2HG2 ILE 23 HG22 ILE 23 -7.965 6.752 -4.092 179 3HG2 ILE 23 HG23 ILE 23 -7.076 7.617 -2.847 180 1HD1 ILE 23 HD11 ILE 23 -5.270 8.662 -7.918 181 2HD1 ILE 23 HD12 ILE 23 -5.626 9.858 -6.674 182 3HD1 ILE 23 HD13 ILE 23 -6.939 9.135 -7.600 183 H LYS 24 HN LYS 24 -8.666 11.207 -3.889 184 HA LYS 24 HA LYS 24 -10.330 9.769 -1.859 185 1HB LYS 24 HB2 LYS 24 -8.280 11.222 -1.168 186 2HB LYS 24 HB1 LYS 24 -9.297 12.585 -1.627 187 1HG LYS 24 HG2 LYS 24 -11.090 11.546 -0.099 188 2HG LYS 24 HG1 LYS 24 -9.788 10.542 0.541 189 1HD LYS 24 HD2 LYS 24 -8.490 12.656 1.001 190 2HD LYS 24 HD1 LYS 24 -9.931 13.569 0.553 191 1HE LYS 24 HE2 LYS 24 -9.771 13.231 3.011 192 2HE LYS 24 HE1 LYS 24 -11.212 12.475 2.331 193 1HZ LYS 24 HZ1 LYS 24 -9.685 11.154 3.940 194 2HZ LYS 24 HZ2 LYS 24 -8.735 10.911 2.552 195 3HZ LYS 24 HZ3 LYS 24 -10.350 10.383 2.583 196 H GLN 25 HN GLN 25 -10.565 11.781 -4.620 197 HA GLN 25 HA GLN 25 -13.096 12.956 -3.665 198 1HB GLN 25 HB2 GLN 25 -11.564 13.094 -6.281 199 2HB GLN 25 HB1 GLN 25 -13.186 13.765 -6.105 200 1HG GLN 25 HG2 GLN 25 -10.884 14.494 -4.277 201 2HG GLN 25 HG1 GLN 25 -11.307 15.422 -5.716 202 1HE2 GLN 25 HE21 GLN 25 -11.501 16.717 -3.243 203 2HE2 GLN 25 HE22 GLN 25 -13.134 16.940 -2.835 204 H GLU 26 HN GLU 26 -11.656 10.421 -5.511 205 HA GLU 26 HA GLU 26 -14.196 9.430 -6.623 206 1HB GLU 26 HB2 GLU 26 -11.290 8.809 -6.990 207 2HB GLU 26 HB1 GLU 26 -12.483 7.599 -7.468 208 1HG GLU 26 HG2 GLU 26 -13.587 9.258 -8.918 209 2HG GLU 26 HG1 GLU 26 -12.410 10.477 -8.429 210 H VAL 27 HN VAL 27 -12.185 8.827 -3.766 211 HA VAL 27 HA VAL 27 -12.908 6.083 -3.453 212 HB VAL 27 HB VAL 27 -11.256 7.038 -1.953 213 1HG1 VAL 27 HG11 VAL 27 -13.472 8.581 -0.592 214 2HG1 VAL 27 HG12 VAL 27 -12.532 9.283 -1.892 215 3HG1 VAL 27 HG13 VAL 27 -11.731 8.780 -0.407 216 1HG2 VAL 27 HG21 VAL 27 -13.043 5.210 -1.225 217 2HG2 VAL 27 HG22 VAL 27 -13.577 6.466 -0.118 218 3HG2 VAL 27 HG23 VAL 27 -11.919 5.870 -0.042 219 H SER 28 HN SER 28 -14.128 9.265 -2.735 220 HA SER 28 HA SER 28 -16.540 8.742 -1.290 221 1HB SER 28 HB2 SER 28 -16.162 10.851 -3.450 222 2HB SER 28 HB1 SER 28 -17.397 10.868 -2.198 223 HG SER 28 HG SER 28 -15.930 11.403 -0.743 224 H GLN 29 HN GLN 29 -16.610 9.667 -4.715 225 HA GLN 29 HA GLN 29 -18.605 8.946 -6.108 226 1HB GLN 29 HB2 GLN 29 -16.337 8.811 -7.049 227 2HB GLN 29 HB1 GLN 29 -16.257 7.128 -6.534 228 1HG GLN 29 HG2 GLN 29 -18.194 6.573 -7.900 229 2HG GLN 29 HG1 GLN 29 -18.405 8.269 -8.340 230 1HE2 GLN 29 HE21 GLN 29 -16.216 9.253 -9.316 231 2HE2 GLN 29 HE22 GLN 29 -15.437 8.266 -10.456 232 H ALA 30 HN ALA 30 -16.824 6.196 -4.646 233 HA ALA 30 HA ALA 30 -19.145 4.378 -5.089 234 1HB ALA 30 HB1 ALA 30 -16.430 3.805 -3.870 235 2HB ALA 30 HB2 ALA 30 -16.844 3.623 -5.576 236 3HB ALA 30 HB3 ALA 30 -17.627 2.607 -4.372 237 H ALA 31 HN ALA 31 -18.627 2.666 -2.926 238 HA ALA 31 HA ALA 31 -20.067 4.088 -0.773 239 1HB ALA 31 HB1 ALA 31 -21.021 2.025 -0.505 240 2HB ALA 31 HB2 ALA 31 -19.446 1.315 -0.148 241 3HB ALA 31 HB3 ALA 31 -20.010 1.419 -1.813 242 HA PRO 32 HA PRO 32 -16.704 4.686 1.976 243 1HB PRO 32 HB2 PRO 32 -17.479 2.757 4.045 244 2HB PRO 32 HB1 PRO 32 -17.532 4.524 4.106 245 1HG PRO 32 HG2 PRO 32 -19.765 2.733 3.817 246 2HG PRO 32 HG1 PRO 32 -19.803 4.502 3.786 247 1HD PRO 32 HD2 PRO 32 -20.201 2.704 1.569 248 2HD PRO 32 HD1 PRO 32 -20.193 4.476 1.525 249 H GLY 33 HN GLY 33 -15.251 3.640 0.447 250 1HA GLY 33 HA2 GLY 33 -13.271 2.208 0.509 251 2HA GLY 33 HA1 GLY 33 -14.200 1.019 1.426 252 H SER 34 HN SER 34 -15.203 -0.561 0.316 253 HA SER 34 HA SER 34 -15.962 -1.867 -1.430 254 1HB SER 34 HB2 SER 34 -17.565 -0.747 -2.524 255 2HB SER 34 HB1 SER 34 -16.929 0.732 -1.820 256 HG SER 34 HG SER 34 -16.987 0.101 -4.346 257 HA PRO 35 HA PRO 35 -12.588 -2.562 -4.269 258 1HB PRO 35 HB2 PRO 35 -14.008 -2.969 -6.723 259 2HB PRO 35 HB1 PRO 35 -13.487 -4.206 -5.572 260 1HG PRO 35 HG2 PRO 35 -16.193 -3.258 -6.080 261 2HG PRO 35 HG1 PRO 35 -15.678 -4.580 -5.024 262 1HD PRO 35 HD2 PRO 35 -16.617 -1.969 -4.238 263 2HD PRO 35 HD1 PRO 35 -16.071 -3.285 -3.182 264 H GLN 36 HN GLN 36 -14.517 0.194 -4.669 265 HA GLN 36 HA GLN 36 -13.244 1.140 -7.140 266 1HB GLN 36 HB2 GLN 36 -15.555 1.832 -6.297 267 2HB GLN 36 HB1 GLN 36 -14.707 2.848 -5.128 268 1HG GLN 36 HG2 GLN 36 -15.124 4.270 -7.001 269 2HG GLN 36 HG1 GLN 36 -13.426 3.816 -7.131 270 1HE2 GLN 36 HE21 GLN 36 -13.090 3.657 -9.374 271 2HE2 GLN 36 HE22 GLN 36 -14.035 2.707 -10.416 272 H PHE 37 HN PHE 37 -12.773 1.583 -3.667 273 HA PHE 37 HA PHE 37 -10.658 3.619 -3.905 274 1HB PHE 37 HB2 PHE 37 -12.001 3.281 -1.816 275 2HB PHE 37 HB1 PHE 37 -11.394 1.640 -1.714 276 HD1 PHE 37 HD1 PHE 37 -9.918 5.071 -2.266 277 HD2 PHE 37 HD2 PHE 37 -9.695 1.337 -0.144 278 HE1 PHE 37 HE1 PHE 37 -7.929 5.884 -1.035 279 HE2 PHE 37 HE2 PHE 37 -7.710 2.156 1.086 280 HZ PHE 37 HZ PHE 37 -6.824 4.428 0.640 281 H MET 38 HN MET 38 -10.814 0.240 -4.473 282 HA MET 38 HA MET 38 -7.849 0.072 -4.255 283 1HB MET 38 HB2 MET 38 -9.039 -2.000 -3.757 284 2HB MET 38 HB1 MET 38 -9.859 -1.927 -5.319 285 1HG MET 38 HG2 MET 38 -6.872 -1.753 -5.409 286 2HG MET 38 HG1 MET 38 -7.537 -3.305 -4.945 287 1HE MET 38 HE1 MET 38 -6.955 -4.411 -8.420 288 2HE MET 38 HE2 MET 38 -6.514 -4.423 -6.716 289 3HE MET 38 HE3 MET 38 -5.861 -3.179 -7.780 290 H GLN 39 HN GLN 39 -10.383 0.126 -6.715 291 HA GLN 39 HA GLN 39 -8.901 -0.048 -9.060 292 1HB GLN 39 HB2 GLN 39 -11.396 0.255 -8.831 293 2HB GLN 39 HB1 GLN 39 -11.099 1.979 -8.605 294 1HG GLN 39 HG2 GLN 39 -10.056 2.148 -10.784 295 2HG GLN 39 HG1 GLN 39 -10.132 0.399 -11.002 296 1HE2 GLN 39 HE21 GLN 39 -12.692 -0.287 -10.320 297 2HE2 GLN 39 HE22 GLN 39 -13.826 0.549 -11.266 298 H THR 40 HN THR 40 -9.518 2.787 -7.027 299 HA THR 40 HA THR 40 -7.752 4.577 -8.586 300 HB THR 40 HB THR 40 -8.411 5.647 -6.035 301 HG1 THR 40 HG1 THR 40 -9.942 4.352 -5.460 302 1HG2 THR 40 HG21 THR 40 -10.295 6.800 -7.385 303 2HG2 THR 40 HG22 THR 40 -9.594 5.979 -8.776 304 3HG2 THR 40 HG23 THR 40 -8.625 7.124 -7.846 305 H ILE 41 HN ILE 41 -7.377 2.642 -5.643 306 HA ILE 41 HA ILE 41 -4.716 3.878 -5.285 307 HB ILE 41 HB ILE 41 -5.946 1.428 -3.998 308 1HG1 ILE 41 HG12 ILE 41 -6.919 3.858 -3.621 309 2HG1 ILE 41 HG11 ILE 41 -6.669 2.794 -2.243 310 1HG2 ILE 41 HG21 ILE 41 -3.374 2.903 -3.476 311 2HG2 ILE 41 HG22 ILE 41 -3.587 1.193 -3.847 312 3HG2 ILE 41 HG23 ILE 41 -4.112 1.829 -2.289 313 1HD1 ILE 41 HD11 ILE 41 -5.788 5.208 -2.011 314 2HD1 ILE 41 HD12 ILE 41 -4.534 4.735 -3.158 315 3HD1 ILE 41 HD13 ILE 41 -4.661 3.909 -1.609 316 H ARG 42 HN ARG 42 -6.129 1.671 -7.329 317 HA ARG 42 HA ARG 42 -3.817 -0.097 -7.721 318 1HB ARG 42 HB2 ARG 42 -6.162 -0.857 -8.092 319 2HB ARG 42 HB1 ARG 42 -6.279 0.291 -9.420 320 1HG ARG 42 HG2 ARG 42 -4.349 -0.874 -10.526 321 2HG ARG 42 HG1 ARG 42 -4.397 -2.074 -9.239 322 1HD ARG 42 HD2 ARG 42 -6.800 -2.515 -9.839 323 2HD ARG 42 HD1 ARG 42 -6.589 -1.453 -11.230 324 HE ARG 42 HE ARG 42 -4.520 -3.280 -11.474 325 1HH1 ARG 42 HH21 ARG 42 -7.941 -3.411 -11.070 326 2HH1 ARG 42 HH22 ARG 42 -8.121 -4.894 -11.946 327 1HH2 ARG 42 HH11 ARG 42 -4.735 -5.216 -12.619 328 2HH2 ARG 42 HH12 ARG 42 -6.306 -5.916 -12.823 329 H LEU 43 HN LEU 43 -5.169 2.821 -9.188 330 HA LEU 43 HA LEU 43 -3.259 2.686 -11.437 331 1HB LEU 43 HB2 LEU 43 -5.472 3.385 -12.039 332 2HB LEU 43 HB1 LEU 43 -5.567 4.497 -10.678 333 HG LEU 43 HG LEU 43 -3.827 5.897 -11.689 334 1HD1 LEU 43 HD11 LEU 43 -2.490 4.330 -12.916 335 2HD1 LEU 43 HD12 LEU 43 -3.247 5.355 -14.133 336 3HD1 LEU 43 HD13 LEU 43 -3.888 3.744 -13.814 337 1HD2 LEU 43 HD21 LEU 43 -5.959 5.258 -13.737 338 2HD2 LEU 43 HD22 LEU 43 -5.167 6.810 -13.467 339 3HD2 LEU 43 HD23 LEU 43 -6.278 6.164 -12.258 340 H ALA 44 HN ALA 44 -3.553 3.939 -8.270 341 HA ALA 44 HA ALA 44 -1.532 6.105 -8.766 342 1HB ALA 44 HB1 ALA 44 -3.050 5.288 -6.260 343 2HB ALA 44 HB2 ALA 44 -3.381 6.701 -7.262 344 3HB ALA 44 HB3 ALA 44 -1.882 6.607 -6.337 345 H VAL 45 HN VAL 45 -1.831 2.962 -7.190 346 HA VAL 45 HA VAL 45 0.903 3.124 -6.171 347 HB VAL 45 HB VAL 45 -1.139 0.896 -6.318 348 1HG1 VAL 45 HG11 VAL 45 0.999 -0.208 -6.500 349 2HG1 VAL 45 HG12 VAL 45 0.481 -0.349 -4.823 350 3HG1 VAL 45 HG13 VAL 45 1.704 0.841 -5.269 351 1HG2 VAL 45 HG21 VAL 45 0.117 2.329 -3.964 352 2HG2 VAL 45 HG22 VAL 45 -1.249 1.215 -3.921 353 3HG2 VAL 45 HG23 VAL 45 -1.418 2.793 -4.690 354 H GLN 46 HN GLN 46 -0.732 1.930 -9.047 355 HA GLN 46 HA GLN 46 1.607 0.413 -9.951 356 1HB GLN 46 HB2 GLN 46 -0.820 -0.153 -10.492 357 2HB GLN 46 HB1 GLN 46 -0.811 1.248 -11.566 358 1HG GLN 46 HG2 GLN 46 -0.278 -0.675 -12.911 359 2HG GLN 46 HG1 GLN 46 1.213 0.243 -12.703 360 1HE2 GLN 46 HE21 GLN 46 -0.535 -2.647 -11.532 361 2HE2 GLN 46 HE22 GLN 46 0.840 -3.428 -10.917 362 H GLN 47 HN GLN 47 0.325 3.655 -10.279 363 HA GLN 47 HA GLN 47 1.939 4.216 -12.653 364 1HB GLN 47 HB2 GLN 47 -0.287 5.238 -12.294 365 2HB GLN 47 HB1 GLN 47 0.380 6.141 -10.932 366 1HG GLN 47 HG2 GLN 47 2.024 7.194 -12.432 367 2HG GLN 47 HG1 GLN 47 1.379 6.271 -13.790 368 1HE2 GLN 47 HE21 GLN 47 1.374 9.199 -13.628 369 2HE2 GLN 47 HE22 GLN 47 -0.250 9.692 -13.619 370 H PHE 48 HN PHE 48 1.750 5.894 -9.509 371 HA PHE 48 HA PHE 48 4.497 6.875 -9.861 372 1HB PHE 48 HB2 PHE 48 2.741 8.362 -8.984 373 2HB PHE 48 HB1 PHE 48 2.517 7.287 -7.604 374 HD1 PHE 48 HD1 PHE 48 4.072 7.257 -5.769 375 HD2 PHE 48 HD2 PHE 48 4.883 9.601 -9.275 376 HE1 PHE 48 HE1 PHE 48 5.920 8.401 -4.576 377 HE2 PHE 48 HE2 PHE 48 6.732 10.745 -8.082 378 HZ PHE 48 HZ PHE 48 7.250 10.145 -5.733 379 H ASP 49 HN ASP 49 3.273 3.990 -8.692 380 HA ASP 49 HA ASP 49 3.989 2.547 -6.888 381 1HB ASP 49 HB2 ASP 49 6.588 3.230 -8.275 382 2HB ASP 49 HB1 ASP 49 6.210 1.736 -7.418 383 HA PRO 50 HA PRO 50 5.610 5.974 -4.151 384 1HB PRO 50 HB2 PRO 50 3.903 4.814 -2.071 385 2HB PRO 50 HB1 PRO 50 3.828 6.432 -2.784 386 1HG PRO 50 HG2 PRO 50 1.976 4.323 -3.228 387 2HG PRO 50 HG1 PRO 50 2.075 5.837 -4.141 388 1HD PRO 50 HD2 PRO 50 2.877 3.138 -4.976 389 2HD PRO 50 HD1 PRO 50 2.707 4.600 -5.973 390 H THR 51 HN THR 51 7.137 5.696 -2.405 391 HA THR 51 HA THR 51 8.412 3.095 -2.335 392 HB THR 51 HB THR 51 9.931 4.130 -0.688 393 HG1 THR 51 HG1 THR 51 7.956 5.384 0.140 394 1HG2 THR 51 HG21 THR 51 10.291 4.653 -3.055 395 2HG2 THR 51 HG22 THR 51 10.681 6.054 -2.057 396 3HG2 THR 51 HG23 THR 51 9.157 6.000 -2.944 397 H ALA 52 HN ALA 52 8.990 2.438 0.252 398 HA ALA 52 HA ALA 52 6.422 1.472 1.165 399 1HB ALA 52 HB1 ALA 52 8.731 0.316 1.338 400 2HB ALA 52 HB2 ALA 52 7.638 0.172 2.713 401 3HB ALA 52 HB3 ALA 52 8.979 1.321 2.766 402 H LYS 53 HN LYS 53 8.446 4.177 1.811 403 HA LYS 53 HA LYS 53 7.328 4.817 4.442 404 1HB LYS 53 HB2 LYS 53 8.875 6.679 2.635 405 2HB LYS 53 HB1 LYS 53 8.785 6.698 4.391 406 1HG LYS 53 HG2 LYS 53 9.948 4.506 4.455 407 2HG LYS 53 HG1 LYS 53 10.106 4.563 2.699 408 1HD LYS 53 HD2 LYS 53 11.557 6.435 2.773 409 2HD LYS 53 HD1 LYS 53 11.128 6.809 4.442 410 1HE LYS 53 HE2 LYS 53 12.343 4.956 5.287 411 2HE LYS 53 HE1 LYS 53 12.463 4.204 3.696 412 1HZ LYS 53 HZ1 LYS 53 14.226 5.439 3.164 413 2HZ LYS 53 HZ2 LYS 53 14.361 5.749 4.829 414 3HZ LYS 53 HZ3 LYS 53 13.567 6.859 3.817 415 H ASP 54 HN ASP 54 6.825 5.745 1.071 416 HA ASP 54 HA ASP 54 4.805 7.846 1.671 417 1HB ASP 54 HB2 ASP 54 6.205 7.744 -0.498 418 2HB ASP 54 HB1 ASP 54 5.246 6.330 -0.919 419 H LEU 55 HN LEU 55 4.941 4.434 1.566 420 HA LEU 55 HA LEU 55 2.112 4.075 0.996 421 1HB LEU 55 HB2 LEU 55 3.524 2.116 0.822 422 2HB LEU 55 HB1 LEU 55 4.140 2.347 2.452 423 HG LEU 55 HG LEU 55 2.008 1.793 3.428 424 1HD1 LEU 55 HD11 LEU 55 0.393 2.792 2.032 425 2HD1 LEU 55 HD12 LEU 55 0.139 1.072 1.754 426 3HD1 LEU 55 HD13 LEU 55 1.042 2.033 0.584 427 1HD2 LEU 55 HD21 LEU 55 3.362 -0.132 2.790 428 2HD2 LEU 55 HD22 LEU 55 2.713 -0.084 1.151 429 3HD2 LEU 55 HD23 LEU 55 1.662 -0.507 2.503 430 H GLN 56 HN GLN 56 4.078 4.189 3.964 431 HA GLN 56 HA GLN 56 2.083 4.075 5.900 432 1HB GLN 56 HB2 GLN 56 4.527 5.858 5.948 433 2HB GLN 56 HB1 GLN 56 3.614 5.309 7.354 434 1HG GLN 56 HG2 GLN 56 4.912 3.409 5.386 435 2HG GLN 56 HG1 GLN 56 5.713 3.973 6.853 436 1HE2 GLN 56 HE21 GLN 56 3.780 1.484 5.666 437 2HE2 GLN 56 HE22 GLN 56 3.137 0.931 7.136 438 H ASP 57 HN ASP 57 2.986 6.892 3.908 439 HA ASP 57 HA ASP 57 1.152 8.634 5.452 440 1HB ASP 57 HB2 ASP 57 3.189 9.634 4.519 441 2HB ASP 57 HB1 ASP 57 2.706 9.150 2.895 442 H LEU 58 HN LEU 58 0.949 6.789 2.444 443 HA LEU 58 HA LEU 58 -1.653 8.093 1.815 444 1HB LEU 58 HB2 LEU 58 -0.419 5.582 0.613 445 2HB LEU 58 HB1 LEU 58 -1.767 6.506 -0.047 446 HG LEU 58 HG LEU 58 0.934 7.786 0.401 447 1HD1 LEU 58 HD11 LEU 58 1.458 5.943 -1.031 448 2HD1 LEU 58 HD12 LEU 58 1.284 7.346 -2.086 449 3HD1 LEU 58 HD13 LEU 58 -0.020 6.164 -1.968 450 1HD2 LEU 58 HD21 LEU 58 -1.440 8.371 -1.400 451 2HD2 LEU 58 HD22 LEU 58 0.090 9.243 -1.470 452 3HD2 LEU 58 HD23 LEU 58 -0.903 9.324 -0.017 453 H LEU 59 HN LEU 59 -0.473 5.672 3.823 454 HA LEU 59 HA LEU 59 -3.161 4.380 4.066 455 1HB LEU 59 HB2 LEU 59 -0.912 3.073 4.093 456 2HB LEU 59 HB1 LEU 59 -0.697 3.756 5.703 457 HG LEU 59 HG LEU 59 -3.134 2.837 6.125 458 1HD1 LEU 59 HD11 LEU 59 -3.611 2.151 3.819 459 2HD1 LEU 59 HD12 LEU 59 -3.543 0.731 4.852 460 3HD1 LEU 59 HD13 LEU 59 -2.180 1.123 3.807 461 1HD2 LEU 59 HD21 LEU 59 -1.230 1.991 7.347 462 2HD2 LEU 59 HD22 LEU 59 -0.655 1.103 5.936 463 3HD2 LEU 59 HD23 LEU 59 -2.137 0.602 6.750 464 H GLN 60 HN GLN 60 -0.788 5.511 6.477 465 HA GLN 60 HA GLN 60 -2.447 5.915 8.637 466 1HB GLN 60 HB2 GLN 60 -0.181 7.634 7.659 467 2HB GLN 60 HB1 GLN 60 -0.933 7.832 9.236 468 1HG GLN 60 HG2 GLN 60 0.003 5.085 8.395 469 2HG GLN 60 HG1 GLN 60 1.178 6.256 8.998 470 1HE2 GLN 60 HE21 GLN 60 -1.635 4.303 9.900 471 2HE2 GLN 60 HE22 GLN 60 -1.497 4.557 11.573 472 H TYR 61 HN TYR 61 -2.368 7.811 5.671 473 HA TYR 61 HA TYR 61 -3.956 10.014 6.868 474 1HB TYR 61 HB2 TYR 61 -2.063 10.434 5.248 475 2HB TYR 61 HB1 TYR 61 -3.050 9.677 3.998 476 HD1 TYR 61 HD1 TYR 61 -2.596 12.627 6.119 477 HD2 TYR 61 HD2 TYR 61 -5.181 10.709 3.274 478 HE1 TYR 61 HE1 TYR 61 -3.807 14.764 5.777 479 HE2 TYR 61 HE2 TYR 61 -6.391 12.846 2.932 480 HH TYR 61 HH TYR 61 -6.786 14.934 4.063 481 H LEU 62 HN LEU 62 -4.272 7.794 4.061 482 HA LEU 62 HA LEU 62 -7.102 8.451 3.798 483 1HB LEU 62 HB2 LEU 62 -5.504 6.188 2.568 484 2HB LEU 62 HB1 LEU 62 -7.148 6.620 2.121 485 HG LEU 62 HG LEU 62 -4.861 8.602 1.997 486 1HD1 LEU 62 HD11 LEU 62 -4.975 8.097 -0.516 487 2HD1 LEU 62 HD12 LEU 62 -5.838 6.625 -0.070 488 3HD1 LEU 62 HD13 LEU 62 -4.188 6.884 0.494 489 1HD2 LEU 62 HD21 LEU 62 -6.927 9.766 1.905 490 2HD2 LEU 62 HD22 LEU 62 -7.700 8.507 0.944 491 3HD2 LEU 62 HD23 LEU 62 -6.496 9.561 0.210 492 H CYS 63 HN CYS 63 -5.301 6.404 5.820 493 HA CYS 63 HA CYS 63 -7.672 4.670 6.358 494 1HB CYS 63 HB2 CYS 63 -6.222 3.002 7.076 495 2HB CYS 63 HB1 CYS 63 -5.248 3.778 5.840 496 HG CYS 63 HG CYS 63 -4.378 3.492 8.635 497 H SER 64 HN SER 64 -6.559 4.092 9.110 498 HA SER 64 HA SER 64 -6.441 6.691 10.454 499 1HB SER 64 HB2 SER 64 -8.776 6.718 10.324 500 2HB SER 64 HB1 SER 64 -8.902 4.972 10.502 501 HG SER 64 HG SER 64 -8.249 6.914 12.458 502 H SER 65 HN SER 65 -7.388 3.322 11.235 503 HA SER 65 HA SER 65 -4.925 2.931 12.758 504 1HB SER 65 HB2 SER 65 -6.189 4.204 14.414 505 2HB SER 65 HB1 SER 65 -7.588 3.156 14.195 506 HG SER 65 HG SER 65 -5.886 1.443 14.743 507 H LEU 66 HN LEU 66 -8.164 1.545 13.311 508 HA LEU 66 HA LEU 66 -7.387 -1.128 13.314 509 1HB LEU 66 HB2 LEU 66 -9.968 -0.160 12.062 510 2HB LEU 66 HB1 LEU 66 -9.679 -1.696 12.878 511 HG LEU 66 HG LEU 66 -9.737 1.063 14.129 512 1HD1 LEU 66 HD11 LEU 66 -11.402 -1.449 14.456 513 2HD1 LEU 66 HD12 LEU 66 -11.936 0.104 13.813 514 3HD1 LEU 66 HD13 LEU 66 -11.522 -0.047 15.520 515 1HD2 LEU 66 HD21 LEU 66 -8.746 -1.591 15.188 516 2HD2 LEU 66 HD22 LEU 66 -9.371 -0.354 16.280 517 3HD2 LEU 66 HD23 LEU 66 -7.963 -0.013 15.274 518 H VAL 67 HN VAL 67 -8.860 0.438 10.444 519 HA VAL 67 HA VAL 67 -8.611 -1.384 8.539 520 HB VAL 67 HB VAL 67 -7.474 1.391 8.154 521 1HG1 VAL 67 HG11 VAL 67 -8.510 -0.714 6.251 522 2HG1 VAL 67 HG12 VAL 67 -6.946 0.101 6.220 523 3HG1 VAL 67 HG13 VAL 67 -8.411 0.989 5.804 524 1HG2 VAL 67 HG21 VAL 67 -9.825 1.897 7.418 525 2HG2 VAL 67 HG22 VAL 67 -9.695 1.502 9.132 526 3HG2 VAL 67 HG23 VAL 67 -10.296 0.297 7.992 527 H ALA 68 HN ALA 68 -5.736 0.513 9.584 528 HA ALA 68 HA ALA 68 -3.764 -0.712 7.960 529 1HB ALA 68 HB1 ALA 68 -3.218 1.217 9.356 530 2HB ALA 68 HB2 ALA 68 -2.168 -0.129 9.799 531 3HB ALA 68 HB3 ALA 68 -3.544 0.286 10.819 532 H SER 69 HN SER 69 -5.215 -1.770 11.028 533 HA SER 69 HA SER 69 -3.637 -4.098 11.588 534 1HB SER 69 HB2 SER 69 -5.426 -4.752 12.947 535 2HB SER 69 HB1 SER 69 -5.413 -2.996 13.006 536 HG SER 69 HG SER 69 -7.409 -3.166 12.399 537 H LEU 70 HN LEU 70 -6.948 -4.211 10.437 538 HA LEU 70 HA LEU 70 -7.392 -6.583 9.381 539 1HB LEU 70 HB2 LEU 70 -8.133 -4.132 7.820 540 2HB LEU 70 HB1 LEU 70 -9.023 -5.641 8.007 541 HG LEU 70 HG LEU 70 -8.503 -3.553 10.142 542 1HD1 LEU 70 HD11 LEU 70 -10.334 -2.986 8.669 543 2HD1 LEU 70 HD12 LEU 70 -11.014 -3.558 10.192 544 3HD1 LEU 70 HD13 LEU 70 -10.990 -4.619 8.784 545 1HD2 LEU 70 HD21 LEU 70 -8.319 -5.634 11.295 546 2HD2 LEU 70 HD22 LEU 70 -9.578 -6.377 10.310 547 3HD2 LEU 70 HD23 LEU 70 -10.002 -5.156 11.509 548 H HIS 71 HN HIS 71 -6.574 -4.085 6.966 549 HA HIS 71 HA HIS 71 -6.200 -5.965 5.037 550 1HB HIS 71 HB2 HIS 71 -5.521 -4.246 3.532 551 2HB HIS 71 HB1 HIS 71 -6.491 -3.425 4.752 552 HD1 HIS 71 HD1 HIS 71 -2.841 -4.118 3.928 553 HD2 HIS 71 HD2 HIS 71 -5.136 -1.386 6.080 554 HE1 HIS 71 HE1 HIS 71 -1.246 -2.328 4.743 555 H HIS 72 HN HIS 72 -3.506 -4.283 6.800 556 HA HIS 72 HA HIS 72 -1.547 -5.731 5.379 557 1HB HIS 72 HB2 HIS 72 -0.910 -3.710 6.664 558 2HB HIS 72 HB1 HIS 72 -1.313 -4.529 8.172 559 HD1 HIS 72 HD1 HIS 72 0.110 -6.925 8.464 560 HD2 HIS 72 HD2 HIS 72 1.762 -3.964 6.038 561 HE1 HIS 72 HE1 HIS 72 2.572 -7.473 8.241 562 H GLN 73 HN GLN 73 -3.762 -6.670 7.652 563 HA GLN 73 HA GLN 73 -2.427 -8.816 9.009 564 1HB GLN 73 HB2 GLN 73 -4.922 -7.880 9.267 565 2HB GLN 73 HB1 GLN 73 -5.288 -9.156 8.104 566 1HG GLN 73 HG2 GLN 73 -3.964 -10.711 9.688 567 2HG GLN 73 HG1 GLN 73 -4.117 -9.415 10.875 568 1HE2 GLN 73 HE21 GLN 73 -6.719 -8.480 10.350 569 2HE2 GLN 73 HE22 GLN 73 -7.839 -9.716 10.664 570 H GLN 74 HN GLN 74 -4.447 -8.770 6.051 571 HA GLN 74 HA GLN 74 -4.040 -11.300 5.076 572 1HB GLN 74 HB2 GLN 74 -3.832 -8.752 3.433 573 2HB GLN 74 HB1 GLN 74 -4.167 -10.356 2.781 574 1HG GLN 74 HG2 GLN 74 -5.875 -8.980 4.874 575 2HG GLN 74 HG1 GLN 74 -6.236 -8.988 3.147 576 1HE2 GLN 74 HE21 GLN 74 -6.322 -10.906 6.077 577 2HE2 GLN 74 HE22 GLN 74 -7.035 -12.283 5.387 578 H LEU 75 HN LEU 75 -2.024 -8.536 3.897 579 HA LEU 75 HA LEU 75 0.307 -9.619 2.862 580 1HB LEU 75 HB2 LEU 75 -0.073 -7.376 4.826 581 2HB LEU 75 HB1 LEU 75 1.507 -7.778 4.168 582 HG LEU 75 HG LEU 75 0.631 -7.480 1.874 583 1HD1 LEU 75 HD11 LEU 75 -1.680 -8.013 2.079 584 2HD1 LEU 75 HD12 LEU 75 -1.633 -6.287 1.725 585 3HD1 LEU 75 HD13 LEU 75 -1.915 -6.840 3.372 586 1HD2 LEU 75 HD21 LEU 75 -0.076 -5.062 3.552 587 2HD2 LEU 75 HD22 LEU 75 0.596 -5.091 1.922 588 3HD2 LEU 75 HD23 LEU 75 1.591 -5.578 3.295 589 H ASP 76 HN ASP 76 -0.047 -9.055 6.367 590 HA ASP 76 HA ASP 76 2.100 -10.067 7.593 591 1HB ASP 76 HB2 ASP 76 -0.355 -9.690 8.454 592 2HB ASP 76 HB1 ASP 76 -0.459 -11.444 8.349 593 H SER 77 HN SER 77 -0.450 -12.433 6.865 594 HA SER 77 HA SER 77 1.464 -14.617 6.659 595 1HB SER 77 HB2 SER 77 -1.530 -14.415 6.295 596 2HB SER 77 HB1 SER 77 -0.623 -15.924 6.147 597 HG SER 77 HG SER 77 -0.138 -14.385 8.409 598 H LEU 78 HN LEU 78 -0.413 -12.595 4.388 599 HA LEU 78 HA LEU 78 -0.376 -14.250 2.188 600 1HB LEU 78 HB2 LEU 78 -0.962 -11.569 2.546 601 2HB LEU 78 HB1 LEU 78 0.434 -11.466 1.483 602 HG LEU 78 HG LEU 78 -1.903 -13.287 0.920 603 1HD1 LEU 78 HD11 LEU 78 -1.444 -10.491 -0.186 604 2HD1 LEU 78 HD12 LEU 78 -2.634 -10.879 1.057 605 3HD1 LEU 78 HD13 LEU 78 -2.795 -11.560 -0.561 606 1HD2 LEU 78 HD21 LEU 78 -0.987 -13.101 -1.405 607 2HD2 LEU 78 HD22 LEU 78 0.158 -13.816 -0.269 608 3HD2 LEU 78 HD23 LEU 78 0.342 -12.134 -0.765 609 H ILE 79 HN ILE 79 2.204 -11.932 3.160 610 HA ILE 79 HA ILE 79 4.185 -12.669 1.322 611 HB ILE 79 HB ILE 79 4.057 -11.603 4.135 612 1HG1 ILE 79 HG12 ILE 79 3.724 -10.071 2.249 613 2HG1 ILE 79 HG11 ILE 79 5.194 -9.667 3.125 614 1HG2 ILE 79 HG21 ILE 79 5.976 -12.968 4.397 615 2HG2 ILE 79 HG22 ILE 79 6.583 -11.346 4.072 616 3HG2 ILE 79 HG23 ILE 79 6.585 -12.560 2.791 617 1HD1 ILE 79 HD11 ILE 79 6.199 -11.371 1.227 618 2HD1 ILE 79 HD12 ILE 79 6.113 -9.622 1.036 619 3HD1 ILE 79 HD13 ILE 79 4.853 -10.644 0.351 620 H SER 80 HN SER 80 3.612 -13.936 4.638 621 HA SER 80 HA SER 80 5.488 -15.999 4.600 622 1HB SER 80 HB2 SER 80 2.695 -16.368 5.694 623 2HB SER 80 HB1 SER 80 4.188 -17.099 6.276 624 HG SER 80 HG SER 80 4.610 -15.334 7.346 625 H GLU 81 HN GLU 81 2.060 -16.286 3.457 626 HA GLU 81 HA GLU 81 2.559 -18.949 2.460 627 1HB GLU 81 HB2 GLU 81 0.333 -17.982 3.200 628 2HB GLU 81 HB1 GLU 81 0.303 -17.107 1.669 629 1HG GLU 81 HG2 GLU 81 -0.906 -19.132 1.289 630 2HG GLU 81 HG1 GLU 81 0.668 -19.357 0.526 631 H ALA 82 HN ALA 82 2.685 -15.719 0.955 632 HA ALA 82 HA ALA 82 2.518 -16.782 -1.640 633 1HB ALA 82 HB1 ALA 82 3.590 -14.503 -2.338 634 2HB ALA 82 HB2 ALA 82 3.517 -14.131 -0.615 635 3HB ALA 82 HB3 ALA 82 2.036 -14.484 -1.504 636 H GLU 83 HN GLU 83 5.203 -16.009 0.508 637 HA GLU 83 HA GLU 83 7.288 -16.310 -1.412 638 1HB GLU 83 HB2 GLU 83 7.361 -16.605 1.611 639 2HB GLU 83 HB1 GLU 83 8.803 -16.587 0.595 640 1HG GLU 83 HG2 GLU 83 8.302 -14.345 -0.180 641 2HG GLU 83 HG1 GLU 83 6.748 -14.361 0.654 642 H THR 84 HN THR 84 5.535 -18.542 0.647 643 HA THR 84 HA THR 84 7.213 -20.820 0.382 644 HB THR 84 HB THR 84 4.403 -21.568 0.250 645 HG1 THR 84 HG1 THR 84 3.760 -20.319 2.080 646 1HG2 THR 84 HG21 THR 84 4.818 -22.522 2.398 647 2HG2 THR 84 HG22 THR 84 6.144 -21.403 2.719 648 3HG2 THR 84 HG23 THR 84 6.336 -22.677 1.512 649 H ARG 85 HN ARG 85 4.517 -19.659 -1.661 650 HA ARG 85 HA ARG 85 4.265 -21.539 -3.602 651 1HB ARG 85 HB2 ARG 85 3.064 -19.437 -3.732 652 2HB ARG 85 HB1 ARG 85 4.552 -18.564 -4.076 653 1HG ARG 85 HG2 ARG 85 3.969 -20.829 -5.929 654 2HG ARG 85 HG1 ARG 85 2.846 -19.478 -6.023 655 1HD ARG 85 HD2 ARG 85 4.499 -17.974 -6.719 656 2HD ARG 85 HD1 ARG 85 5.815 -18.934 -6.047 657 HE ARG 85 HE ARG 85 4.742 -20.564 -8.014 658 1HH1 ARG 85 HH21 ARG 85 5.921 -17.331 -7.799 659 2HH1 ARG 85 HH22 ARG 85 6.486 -17.287 -9.435 660 1HH2 ARG 85 HH11 ARG 85 5.474 -20.525 -10.152 661 2HH2 ARG 85 HH12 ARG 85 6.233 -19.095 -10.768 662 H GLY 86 HN GLY 86 7.096 -19.392 -3.267 663 1HA GLY 86 HA2 GLY 86 9.277 -20.177 -4.018 664 2HA GLY 86 HA1 GLY 86 8.492 -21.082 -5.308 665 H ILE 87 HN ILE 87 8.499 -17.660 -4.199 666 HA ILE 87 HA ILE 87 8.089 -16.577 -6.830 667 HB ILE 87 HB ILE 87 9.459 -15.234 -4.485 668 1HG1 ILE 87 HG12 ILE 87 7.399 -16.267 -3.708 669 2HG1 ILE 87 HG11 ILE 87 7.175 -14.521 -3.799 670 1HG2 ILE 87 HG21 ILE 87 7.625 -13.557 -6.020 671 2HG2 ILE 87 HG22 ILE 87 8.825 -14.274 -7.089 672 3HG2 ILE 87 HG23 ILE 87 9.344 -13.320 -5.703 673 1HD1 ILE 87 HD11 ILE 87 6.094 -16.661 -5.624 674 2HD1 ILE 87 HD12 ILE 87 6.232 -14.997 -6.182 675 3HD1 ILE 87 HD13 ILE 87 5.219 -15.380 -4.794 676 H THR 88 HN THR 88 10.426 -14.650 -6.261 677 HA THR 88 HA THR 88 12.299 -15.804 -8.152 678 HB THR 88 HB THR 88 11.848 -13.323 -7.773 679 HG1 THR 88 HG1 THR 88 14.418 -13.126 -7.636 680 1HG2 THR 88 HG21 THR 88 13.958 -13.222 -5.697 681 2HG2 THR 88 HG22 THR 88 12.395 -13.817 -5.137 682 3HG2 THR 88 HG23 THR 88 12.520 -12.227 -5.879 683 H SER 89 HN SER 89 11.998 -17.648 -6.189 684 HA SER 89 HA SER 89 13.131 -18.853 -4.512 685 1HB SER 89 HB2 SER 89 14.741 -18.879 -6.491 686 2HB SER 89 HB1 SER 89 15.594 -17.554 -5.705 687 HG SER 89 HG SER 89 16.580 -19.242 -4.836 688 H TYR 90 HN TYR 90 12.652 -15.703 -4.294 689 HA TYR 90 HA TYR 90 13.210 -13.954 -2.834 690 1HB TYR 90 HB2 TYR 90 12.799 -14.797 -0.437 691 2HB TYR 90 HB1 TYR 90 11.524 -15.083 -1.633 692 HD1 TYR 90 HD1 TYR 90 11.024 -17.313 -2.436 693 HD2 TYR 90 HD2 TYR 90 14.278 -16.631 0.284 694 HE1 TYR 90 HE1 TYR 90 11.195 -19.754 -2.028 695 HE2 TYR 90 HE2 TYR 90 14.449 -19.071 0.691 696 HH TYR 90 HH TYR 90 13.026 -21.365 -1.264 697 H ASN 91 HN ASN 91 14.622 -12.971 -1.329 698 HA ASN 91 HA ASN 91 16.388 -14.295 0.199 699 1HB ASN 91 HB2 ASN 91 17.387 -14.288 -2.474 700 2HB ASN 91 HB1 ASN 91 18.432 -13.178 -1.596 701 1HD2 ASN 91 HD21 ASN 91 20.269 -14.620 -1.547 702 2HD2 ASN 91 HD22 ASN 91 20.268 -16.058 -0.646 703 HA PRO 92 HA PRO 92 17.495 -9.650 0.287 704 1HB PRO 92 HB2 PRO 92 15.589 -8.125 -1.207 705 2HB PRO 92 HB1 PRO 92 17.314 -8.290 -1.535 706 1HG PRO 92 HG2 PRO 92 15.144 -9.423 -3.073 707 2HG PRO 92 HG1 PRO 92 16.878 -9.609 -3.362 708 1HD PRO 92 HD2 PRO 92 15.009 -11.559 -2.251 709 2HD PRO 92 HD1 PRO 92 16.702 -11.811 -2.717 710 H LEU 93 HN LEU 93 14.123 -10.644 -0.229 711 HA LEU 93 HA LEU 93 12.713 -8.999 1.610 712 1HB LEU 93 HB2 LEU 93 12.280 -11.983 1.491 713 2HB LEU 93 HB1 LEU 93 11.106 -10.711 1.818 714 HG LEU 93 HG LEU 93 11.910 -9.895 -0.642 715 1HD1 LEU 93 HD11 LEU 93 11.855 -12.824 -1.190 716 2HD1 LEU 93 HD12 LEU 93 13.357 -12.178 -0.535 717 3HD1 LEU 93 HD13 LEU 93 12.694 -11.531 -2.036 718 1HD2 LEU 93 HD21 LEU 93 9.766 -11.836 0.217 719 2HD2 LEU 93 HD22 LEU 93 9.947 -11.452 -1.492 720 3HD2 LEU 93 HD23 LEU 93 9.606 -10.168 -0.334 721 H ALA 94 HN ALA 94 14.214 -12.085 2.196 722 HA ALA 94 HA ALA 94 14.514 -12.963 4.592 723 1HB ALA 94 HB1 ALA 94 16.865 -11.532 3.390 724 2HB ALA 94 HB2 ALA 94 16.316 -13.171 3.009 725 3HB ALA 94 HB3 ALA 94 16.934 -12.794 4.622 726 H GLY 95 HN GLY 95 15.889 -9.746 4.004 727 1HA GLY 95 HA2 GLY 95 16.119 -8.987 6.795 728 2HA GLY 95 HA1 GLY 95 16.201 -7.884 5.409 729 HA PRO 96 HA PRO 96 12.170 -7.348 7.330 730 1HB PRO 96 HB2 PRO 96 12.137 -4.468 7.061 731 2HB PRO 96 HB1 PRO 96 12.444 -5.389 8.543 732 1HG PRO 96 HG2 PRO 96 14.379 -3.949 6.878 733 2HG PRO 96 HG1 PRO 96 14.640 -4.706 8.455 734 1HD PRO 96 HD2 PRO 96 15.480 -5.705 5.856 735 2HD PRO 96 HD1 PRO 96 15.754 -6.445 7.443 736 H LEU 97 HN LEU 97 10.093 -5.951 6.080 737 HA LEU 97 HA LEU 97 10.444 -6.522 3.216 738 1HB LEU 97 HB2 LEU 97 8.154 -5.457 4.891 739 2HB LEU 97 HB1 LEU 97 8.059 -5.512 3.134 740 HG LEU 97 HG LEU 97 7.064 -7.521 4.295 741 1HD1 LEU 97 HD11 LEU 97 8.253 -7.467 1.917 742 2HD1 LEU 97 HD12 LEU 97 7.722 -8.988 2.626 743 3HD1 LEU 97 HD13 LEU 97 9.418 -8.524 2.717 744 1HD2 LEU 97 HD21 LEU 97 8.450 -9.078 5.439 745 2HD2 LEU 97 HD22 LEU 97 8.910 -7.500 6.077 746 3HD2 LEU 97 HD23 LEU 97 9.927 -8.298 4.876 747 H ARG 98 HN ARG 98 9.534 -3.567 5.056 748 HA ARG 98 HA ARG 98 9.533 -1.584 3.214 749 1HB ARG 98 HB2 ARG 98 10.684 -1.719 5.975 750 2HB ARG 98 HB1 ARG 98 11.000 -0.260 5.039 751 1HG ARG 98 HG2 ARG 98 8.668 0.198 4.780 752 2HG ARG 98 HG1 ARG 98 8.214 -1.399 5.375 753 1HD ARG 98 HD2 ARG 98 9.295 -0.758 7.583 754 2HD ARG 98 HD1 ARG 98 9.433 0.883 6.949 755 HE ARG 98 HE ARG 98 6.761 0.257 6.579 756 1HH1 ARG 98 HH21 ARG 98 9.001 0.197 9.199 757 2HH1 ARG 98 HH22 ARG 98 7.803 0.526 10.405 758 1HH2 ARG 98 HH11 ARG 98 5.184 0.687 8.138 759 2HH2 ARG 98 HH12 ARG 98 5.642 0.803 9.804 760 H VAL 99 HN VAL 99 12.209 -3.467 4.184 761 HA VAL 99 HA VAL 99 14.375 -1.877 2.983 762 HB VAL 99 HB VAL 99 14.105 -4.397 4.532 763 1HG1 VAL 99 HG11 VAL 99 15.045 -5.476 2.565 764 2HG1 VAL 99 HG12 VAL 99 16.352 -5.268 3.732 765 3HG1 VAL 99 HG13 VAL 99 16.223 -4.179 2.353 766 1HG2 VAL 99 HG21 VAL 99 16.357 -2.374 4.212 767 2HG2 VAL 99 HG22 VAL 99 16.243 -3.588 5.481 768 3HG2 VAL 99 HG23 VAL 99 15.067 -2.278 5.408 769 H GLN 100 HN GLN 100 12.685 -4.872 2.059 770 HA GLN 100 HA GLN 100 14.097 -5.331 -0.299 771 1HB GLN 100 HB2 GLN 100 12.671 -7.006 0.526 772 2HB GLN 100 HB1 GLN 100 11.282 -5.931 0.581 773 1HG GLN 100 HG2 GLN 100 11.266 -7.570 -1.307 774 2HG GLN 100 HG1 GLN 100 11.136 -5.885 -1.792 775 1HE2 GLN 100 HE21 GLN 100 12.962 -4.926 -2.933 776 2HE2 GLN 100 HE22 GLN 100 14.255 -5.866 -3.504 777 H ALA 101 HN ALA 101 10.815 -3.836 -0.221 778 HA ALA 101 HA ALA 101 11.179 -2.968 -2.950 779 1HB ALA 101 HB1 ALA 101 9.071 -1.555 -2.496 780 2HB ALA 101 HB2 ALA 101 9.095 -2.238 -0.871 781 3HB ALA 101 HB3 ALA 101 8.899 -3.296 -2.269 782 H ASN 102 HN ASN 102 11.549 -1.166 0.101 783 HA ASN 102 HA ASN 102 12.054 1.322 -1.286 784 1HB ASN 102 HB2 ASN 102 11.535 0.975 1.242 785 2HB ASN 102 HB1 ASN 102 13.263 0.650 1.402 786 1HD2 ASN 102 HD21 ASN 102 14.384 2.498 1.992 787 2HD2 ASN 102 HD22 ASN 102 14.007 4.075 1.490 788 H ASN 103 HN ASN 103 13.440 -0.804 -2.539 789 HA ASN 103 HA ASN 103 16.292 0.004 -2.109 790 1HB ASN 103 HB2 ASN 103 15.729 -2.304 -1.256 791 2HB ASN 103 HB1 ASN 103 15.367 -2.751 -2.924 792 1HD2 ASN 103 HD21 ASN 103 17.314 -4.292 -2.387 793 2HD2 ASN 103 HD22 ASN 103 18.863 -3.688 -2.726 794 HA PRO 104 HA PRO 104 15.168 0.991 -6.513 795 1HB PRO 104 HB2 PRO 104 17.817 2.260 -6.589 796 2HB PRO 104 HB1 PRO 104 16.226 2.994 -6.840 797 1HG PRO 104 HG2 PRO 104 17.853 3.376 -4.572 798 2HG PRO 104 HG1 PRO 104 16.127 3.757 -4.673 799 1HD PRO 104 HD2 PRO 104 17.444 1.562 -3.229 800 2HD PRO 104 HD1 PRO 104 15.769 2.139 -3.078 801 H GLN 105 HN GLN 105 17.954 -0.584 -5.080 802 HA GLN 105 HA GLN 105 19.010 -1.516 -7.631 803 1HB GLN 105 HB2 GLN 105 19.516 -2.549 -4.821 804 2HB GLN 105 HB1 GLN 105 20.479 -2.926 -6.250 805 1HG GLN 105 HG2 GLN 105 21.037 -0.537 -6.511 806 2HG GLN 105 HG1 GLN 105 20.077 -0.157 -5.080 807 1HE2 GLN 105 HE21 GLN 105 20.930 -2.612 -3.620 808 2HE2 GLN 105 HE22 GLN 105 22.542 -2.346 -3.161 809 H GLN 106 HN GLN 106 16.306 -2.341 -5.809 810 HA GLN 106 HA GLN 106 15.907 -4.788 -7.413 811 1HB GLN 106 HB2 GLN 106 15.930 -4.809 -4.377 812 2HB GLN 106 HB1 GLN 106 15.320 -6.127 -5.378 813 1HG GLN 106 HG2 GLN 106 17.614 -6.125 -6.519 814 2HG GLN 106 HG1 GLN 106 18.154 -5.092 -5.196 815 1HE2 GLN 106 HE21 GLN 106 19.142 -7.799 -5.667 816 2HE2 GLN 106 HE22 GLN 106 18.693 -8.736 -4.324 817 H GLN 107 HN GLN 107 14.322 -3.140 -8.225 818 HA GLN 107 HA GLN 107 12.079 -2.480 -6.420 819 1HB GLN 107 HB2 GLN 107 11.176 -1.283 -8.402 820 2HB GLN 107 HB1 GLN 107 12.825 -0.786 -8.020 821 1HG GLN 107 HG2 GLN 107 13.661 -2.400 -9.737 822 2HG GLN 107 HG1 GLN 107 11.988 -2.756 -10.168 823 1HE2 GLN 107 HE21 GLN 107 14.566 -0.396 -10.480 824 2HE2 GLN 107 HE22 GLN 107 13.723 0.676 -11.490 825 H GLY 108 HN GLY 108 12.883 -5.155 -8.302 826 1HA GLY 108 HA2 GLY 108 10.478 -5.834 -9.630 827 2HA GLY 108 HA1 GLY 108 11.595 -7.021 -8.951 828 H LEU 109 HN LEU 109 11.481 -6.726 -6.333 829 HA LEU 109 HA LEU 109 8.980 -7.863 -5.489 830 1HB LEU 109 HB2 LEU 109 11.274 -6.594 -4.020 831 2HB LEU 109 HB1 LEU 109 9.879 -7.248 -3.175 832 HG LEU 109 HG LEU 109 11.934 -8.785 -3.470 833 1HD1 LEU 109 HD11 LEU 109 10.569 -10.751 -3.621 834 2HD1 LEU 109 HD12 LEU 109 9.295 -9.875 -4.458 835 3HD1 LEU 109 HD13 LEU 109 9.645 -9.518 -2.765 836 1HD2 LEU 109 HD21 LEU 109 12.254 -8.252 -5.899 837 2HD2 LEU 109 HD22 LEU 109 10.764 -9.132 -6.245 838 3HD2 LEU 109 HD23 LEU 109 12.147 -9.972 -5.557 839 H ARG 110 HN ARG 110 9.448 -4.784 -6.538 840 HA ARG 110 HA ARG 110 7.492 -3.604 -4.591 841 1HB ARG 110 HB2 ARG 110 9.579 -2.307 -5.562 842 2HB ARG 110 HB1 ARG 110 8.618 -2.211 -7.037 843 1HG ARG 110 HG2 ARG 110 6.840 -1.046 -5.886 844 2HG ARG 110 HG1 ARG 110 7.619 -1.299 -4.324 845 1HD ARG 110 HD2 ARG 110 7.965 1.005 -5.327 846 2HD ARG 110 HD1 ARG 110 9.446 0.146 -4.905 847 HE ARG 110 HE ARG 110 9.021 -0.529 -7.560 848 1HH1 ARG 110 HH21 ARG 110 9.230 2.373 -5.712 849 2HH1 ARG 110 HH22 ARG 110 9.875 3.315 -7.015 850 1HH2 ARG 110 HH11 ARG 110 9.864 0.684 -9.273 851 2HH2 ARG 110 HH12 ARG 110 10.234 2.358 -9.031 852 H ARG 111 HN ARG 111 7.713 -3.342 -8.145 853 HA ARG 111 HA ARG 111 5.013 -3.188 -8.729 854 1HB ARG 111 HB2 ARG 111 5.525 -4.504 -10.828 855 2HB ARG 111 HB1 ARG 111 6.655 -3.181 -10.527 856 1HG ARG 111 HG2 ARG 111 8.224 -4.766 -9.457 857 2HG ARG 111 HG1 ARG 111 7.103 -6.089 -9.786 858 1HD ARG 111 HD2 ARG 111 8.178 -4.307 -11.967 859 2HD ARG 111 HD1 ARG 111 9.009 -5.778 -11.455 860 HE ARG 111 HE ARG 111 6.414 -6.618 -11.951 861 1HH1 ARG 111 HH21 ARG 111 8.850 -4.874 -13.655 862 2HH1 ARG 111 HH22 ARG 111 8.344 -5.429 -15.216 863 1HH2 ARG 111 HH11 ARG 111 5.738 -7.353 -13.980 864 2HH2 ARG 111 HH12 ARG 111 6.582 -6.833 -15.400 865 H GLU 112 HN GLU 112 6.736 -6.049 -7.648 866 HA GLU 112 HA GLU 112 4.428 -7.806 -8.045 867 1HB GLU 112 HB2 GLU 112 6.870 -8.559 -8.000 868 2HB GLU 112 HB1 GLU 112 6.818 -8.304 -6.255 869 1HG GLU 112 HG2 GLU 112 4.972 -9.897 -6.043 870 2HG GLU 112 HG1 GLU 112 4.935 -10.115 -7.793 871 H TYR 113 HN TYR 113 6.153 -6.645 -5.128 872 HA TYR 113 HA TYR 113 4.220 -7.404 -3.217 873 1HB TYR 113 HB2 TYR 113 6.368 -6.499 -2.498 874 2HB TYR 113 HB1 TYR 113 5.989 -4.938 -3.231 875 HD1 TYR 113 HD1 TYR 113 5.302 -7.209 -0.421 876 HD2 TYR 113 HD2 TYR 113 4.335 -3.440 -2.238 877 HE1 TYR 113 HE1 TYR 113 4.181 -6.489 1.671 878 HE2 TYR 113 HE2 TYR 113 3.213 -2.719 -0.148 879 HH TYR 113 HH TYR 113 2.481 -3.373 1.862 880 H GLN 114 HN GLN 114 3.950 -5.169 -5.751 881 HA GLN 114 HA GLN 114 1.866 -3.521 -4.488 882 1HB GLN 114 HB2 GLN 114 3.110 -3.604 -7.239 883 2HB GLN 114 HB1 GLN 114 1.699 -2.608 -6.887 884 1HG GLN 114 HG2 GLN 114 2.945 -1.477 -5.081 885 2HG GLN 114 HG1 GLN 114 4.361 -2.466 -5.440 886 1HE2 GLN 114 HE21 GLN 114 4.536 0.356 -5.661 887 2HE2 GLN 114 HE22 GLN 114 4.686 0.774 -7.299 888 H GLN 115 HN GLN 115 2.190 -6.199 -6.747 889 HA GLN 115 HA GLN 115 -0.617 -6.222 -7.519 890 1HB GLN 115 HB2 GLN 115 1.608 -8.258 -7.816 891 2HB GLN 115 HB1 GLN 115 -0.017 -8.488 -8.463 892 1HG GLN 115 HG2 GLN 115 0.194 -6.613 -9.927 893 2HG GLN 115 HG1 GLN 115 1.652 -6.051 -9.110 894 1HE2 GLN 115 HE21 GLN 115 0.900 -7.274 -11.978 895 2HE2 GLN 115 HE22 GLN 115 2.206 -8.323 -12.255 896 H LEU 116 HN LEU 116 1.345 -7.791 -5.036 897 HA LEU 116 HA LEU 116 -0.878 -9.547 -4.214 898 1HB LEU 116 HB2 LEU 116 1.915 -9.043 -3.152 899 2HB LEU 116 HB1 LEU 116 0.753 -10.051 -2.294 900 HG LEU 116 HG LEU 116 0.501 -11.411 -4.412 901 1HD1 LEU 116 HD11 LEU 116 2.766 -9.592 -5.238 902 2HD1 LEU 116 HD12 LEU 116 1.295 -9.984 -6.127 903 3HD1 LEU 116 HD13 LEU 116 2.565 -11.191 -5.950 904 1HD2 LEU 116 HD21 LEU 116 2.531 -12.689 -4.016 905 2HD2 LEU 116 HD22 LEU 116 1.956 -12.061 -2.472 906 3HD2 LEU 116 HD23 LEU 116 3.315 -11.287 -3.288 907 H TRP 117 HN TRP 117 0.360 -6.409 -3.578 908 HA TRP 117 HA TRP 117 -0.915 -6.142 -0.946 909 1HB TRP 117 HB2 TRP 117 1.083 -4.856 -1.232 910 2HB TRP 117 HB1 TRP 117 0.546 -4.255 -2.796 911 HD1 TRP 117 HD1 TRP 117 -1.768 -4.306 0.241 912 HE1 TRP 117 HE1 TRP 117 -2.370 -1.874 0.855 913 HE3 TRP 117 HE3 TRP 117 1.364 -1.803 -2.916 914 HZ2 TRP 117 HZ2 TRP 117 -1.620 0.784 0.099 915 HZ3 TRP 117 HZ3 TRP 117 1.405 0.673 -2.947 916 HH2 TRP 117 HH2 TRP 117 -0.085 1.969 -1.452 917 H LEU 118 HN LEU 118 -1.535 -5.131 -4.329 918 HA LEU 118 HA LEU 118 -3.943 -3.630 -3.650 919 1HB LEU 118 HB2 LEU 118 -2.856 -4.742 -6.247 920 2HB LEU 118 HB1 LEU 118 -4.339 -3.798 -6.130 921 HG LEU 118 HG LEU 118 -1.742 -2.749 -4.985 922 1HD1 LEU 118 HD11 LEU 118 -2.664 -2.713 -7.851 923 2HD1 LEU 118 HD12 LEU 118 -1.069 -3.086 -7.211 924 3HD1 LEU 118 HD13 LEU 118 -1.646 -1.421 -7.217 925 1HD2 LEU 118 HD21 LEU 118 -4.363 -1.504 -5.884 926 2HD2 LEU 118 HD22 LEU 118 -2.914 -0.541 -5.611 927 3HD2 LEU 118 HD23 LEU 118 -3.627 -1.444 -4.282 928 H ALA 119 HN ALA 119 -3.220 -7.016 -4.302 929 HA ALA 119 HA ALA 119 -6.044 -7.797 -4.539 930 1HB ALA 119 HB1 ALA 119 -3.833 -9.436 -3.248 931 2HB ALA 119 HB2 ALA 119 -3.983 -9.325 -5.002 932 3HB ALA 119 HB3 ALA 119 -5.288 -10.030 -4.048 933 H ALA 120 HN ALA 120 -3.964 -8.283 -1.624 934 HA ALA 120 HA ALA 120 -6.059 -8.428 0.175 935 1HB ALA 120 HB1 ALA 120 -3.917 -8.744 1.090 936 2HB ALA 120 HB2 ALA 120 -4.420 -7.202 1.790 937 3HB ALA 120 HB3 ALA 120 -3.307 -7.233 0.419 938 H PHE 121 HN PHE 121 -5.573 -5.744 -1.864 939 HA PHE 121 HA PHE 121 -6.982 -3.914 0.053 940 1HB PHE 121 HB2 PHE 121 -4.730 -3.439 -1.536 941 2HB PHE 121 HB1 PHE 121 -6.022 -2.666 -2.435 942 HD1 PHE 121 HD1 PHE 121 -5.133 -3.074 1.203 943 HD2 PHE 121 HD2 PHE 121 -6.154 -0.373 -1.981 944 HE1 PHE 121 HE1 PHE 121 -5.009 -1.166 2.780 945 HE2 PHE 121 HE2 PHE 121 -6.027 1.531 -0.399 946 HZ PHE 121 HZ PHE 121 -5.458 1.137 1.979 947 H ALA 122 HN ALA 122 -7.308 -5.652 -2.957 948 HA ALA 122 HA ALA 122 -9.947 -4.285 -3.491 949 1HB ALA 122 HB1 ALA 122 -7.934 -5.546 -5.226 950 2HB ALA 122 HB2 ALA 122 -9.324 -4.568 -5.693 951 3HB ALA 122 HB3 ALA 122 -9.510 -6.298 -5.450 952 H ALA 123 HN ALA 123 -8.613 -7.158 -2.174 953 HA ALA 123 HA ALA 123 -11.291 -8.457 -2.317 954 1HB ALA 123 HB1 ALA 123 -9.160 -9.810 -2.576 955 2HB ALA 123 HB2 ALA 123 -10.202 -10.358 -1.263 956 3HB ALA 123 HB3 ALA 123 -8.767 -9.397 -0.907 957 H LEU 124 HN LEU 124 -10.257 -5.904 -0.860 958 HA LEU 124 HA LEU 124 -10.158 -6.443 1.814 959 1HB LEU 124 HB2 LEU 124 -10.341 -4.067 0.186 960 2HB LEU 124 HB1 LEU 124 -11.244 -3.804 1.678 961 HG LEU 124 HG LEU 124 -8.428 -4.888 1.578 962 1HD1 LEU 124 HD11 LEU 124 -9.174 -2.074 2.345 963 2HD1 LEU 124 HD12 LEU 124 -8.726 -2.500 0.693 964 3HD1 LEU 124 HD13 LEU 124 -7.572 -2.726 2.006 965 1HD2 LEU 124 HD21 LEU 124 -9.413 -3.511 4.009 966 2HD2 LEU 124 HD22 LEU 124 -8.454 -4.980 3.847 967 3HD2 LEU 124 HD23 LEU 124 -10.202 -5.047 3.650 968 HA PRO 125 HA PRO 125 -14.965 -4.882 1.839 969 1HB PRO 125 HB2 PRO 125 -15.865 -6.247 -0.602 970 2HB PRO 125 HB1 PRO 125 -16.212 -4.593 -0.058 971 1HG PRO 125 HG2 PRO 125 -14.380 -5.347 -2.109 972 2HG PRO 125 HG1 PRO 125 -14.564 -3.737 -1.398 973 1HD PRO 125 HD2 PRO 125 -12.345 -5.530 -1.099 974 2HD PRO 125 HD1 PRO 125 -12.547 -3.942 -0.340 975 H GLY 126 HN GLY 126 -14.532 -7.868 -0.006 976 1HA GLY 126 HA2 GLY 126 -15.858 -9.328 2.219 977 2HA GLY 126 HA1 GLY 126 -15.556 -9.963 0.603 978 H SER 127 HN SER 127 -13.639 -8.678 3.322 979 HA SER 127 HA SER 127 -12.359 -11.010 3.942 980 1HB SER 127 HB2 SER 127 -11.412 -10.612 1.434 981 2HB SER 127 HB1 SER 127 -10.187 -9.738 2.317 982 HG SER 127 HG SER 127 -10.828 -12.444 2.305 983 H ALA 128 HN ALA 128 -12.075 -7.509 4.189 984 HA ALA 128 HA ALA 128 -10.853 -7.841 6.752 985 1HB ALA 128 HB1 ALA 128 -8.560 -6.729 5.986 986 2HB ALA 128 HB2 ALA 128 -8.985 -7.456 4.439 987 3HB ALA 128 HB3 ALA 128 -8.791 -8.466 5.867 988 H LYS 129 HN LYS 129 -12.894 -6.122 6.025 989 HA LYS 129 HA LYS 129 -11.651 -3.540 6.806 990 1HB LYS 129 HB2 LYS 129 -12.756 -2.231 5.110 991 2HB LYS 129 HB1 LYS 129 -11.688 -3.426 4.409 992 1HG LYS 129 HG2 LYS 129 -13.370 -4.385 3.260 993 2HG LYS 129 HG1 LYS 129 -14.379 -4.527 4.681 994 1HD LYS 129 HD2 LYS 129 -15.497 -3.118 3.029 995 2HD LYS 129 HD1 LYS 129 -15.046 -2.132 4.403 996 1HE LYS 129 HE2 LYS 129 -14.009 -0.746 2.926 997 2HE LYS 129 HE1 LYS 129 -12.807 -2.010 2.683 998 1HZ LYS 129 HZ1 LYS 129 -14.134 -2.927 0.919 999 2HZ LYS 129 HZ2 LYS 129 -13.853 -1.280 0.610 1000 3HZ LYS 129 HZ3 LYS 129 -15.365 -1.793 1.191 1001 H ASP 130 HN ASP 130 -14.264 -2.295 5.937 1002 HA ASP 130 HA ASP 130 -16.453 -3.451 7.410 1003 1HB ASP 130 HB2 ASP 130 -14.991 -2.671 9.292 1004 2HB ASP 130 HB1 ASP 130 -15.125 -1.028 8.664 1005 HA PRO 131 HA PRO 131 -17.521 -0.065 4.424 1006 1HB PRO 131 HB2 PRO 131 -19.016 -1.552 2.707 1007 2HB PRO 131 HB1 PRO 131 -17.242 -1.618 2.640 1008 1HG PRO 131 HG2 PRO 131 -19.158 -3.639 3.757 1009 2HG PRO 131 HG1 PRO 131 -17.592 -3.906 2.983 1010 1HD PRO 131 HD2 PRO 131 -18.092 -3.862 5.792 1011 2HD PRO 131 HD1 PRO 131 -16.498 -3.826 5.028 1012 H SER 132 HN SER 132 -19.505 -2.636 5.794 1013 HA SER 132 HA SER 132 -21.736 -2.595 6.624 1014 1HB SER 132 HB2 SER 132 -20.589 -0.953 8.168 1015 2HB SER 132 HB1 SER 132 -21.100 0.337 7.084 1016 HG SER 132 HG SER 132 -22.937 0.261 8.082 1017 H TRP 133 HN TRP 133 -21.644 -2.554 3.979 1018 HA TRP 133 HA TRP 133 -23.787 -2.160 2.650 1019 1HB TRP 133 HB2 TRP 133 -24.512 -0.094 3.726 1020 2HB TRP 133 HB1 TRP 133 -23.026 0.728 3.232 1021 HD1 TRP 133 HD1 TRP 133 -23.037 1.873 0.946 1022 HE1 TRP 133 HE1 TRP 133 -24.672 1.954 -1.046 1023 HE3 TRP 133 HE3 TRP 133 -26.392 -1.689 2.410 1024 HZ2 TRP 133 HZ2 TRP 133 -27.083 0.677 -1.905 1025 HZ3 TRP 133 HZ3 TRP 133 -28.346 -2.235 0.988 1026 HH2 TRP 133 HH2 TRP 133 -28.696 -1.058 -1.166 1027 H ALA 134 HN ALA 134 -22.037 -3.320 1.490 1028 HA ALA 134 HA ALA 134 -20.382 -1.535 -0.263 1029 1HB ALA 134 HB1 ALA 134 -19.086 -3.183 1.004 1030 2HB ALA 134 HB2 ALA 134 -19.057 -3.595 -0.710 1031 3HB ALA 134 HB3 ALA 134 -20.106 -4.486 0.392 Start of MODEL 7 1 HT1 PRO 1 HT2 PRO 1 5.313 9.085 0.021 2 HT2 PRO 1 HT1 PRO 1 5.518 10.612 0.732 3 HA PRO 1 HA PRO 1 7.307 8.366 0.707 4 1HB PRO 1 HB2 PRO 1 8.962 10.754 0.391 5 2HB PRO 1 HB1 PRO 1 9.052 9.222 -0.478 6 1HG PRO 1 HG2 PRO 1 7.995 11.722 -1.433 7 2HG PRO 1 HG1 PRO 1 8.069 10.176 -2.293 8 1HD PRO 1 HD2 PRO 1 5.727 11.460 -1.298 9 2HD PRO 1 HD1 PRO 1 5.836 9.841 -1.998 10 H VAL 2 HN VAL 2 8.396 8.376 2.697 11 HA VAL 2 HA VAL 2 8.369 10.673 4.470 12 HB VAL 2 HB VAL 2 6.143 10.168 5.021 13 1HG1 VAL 2 HG11 VAL 2 5.794 8.218 3.727 14 2HG1 VAL 2 HG12 VAL 2 5.416 7.755 5.388 15 3HG1 VAL 2 HG13 VAL 2 6.961 7.289 4.670 16 1HG2 VAL 2 HG21 VAL 2 7.586 8.306 6.923 17 2HG2 VAL 2 HG22 VAL 2 6.173 9.311 7.250 18 3HG2 VAL 2 HG23 VAL 2 7.752 10.060 7.013 19 H MET 3 HN MET 3 10.155 10.499 5.635 20 HA MET 3 HA MET 3 11.716 7.972 5.612 21 1HB MET 3 HB2 MET 3 12.336 10.780 6.452 22 2HB MET 3 HB1 MET 3 13.484 9.440 6.405 23 1HG MET 3 HG2 MET 3 13.109 9.124 4.020 24 2HG MET 3 HG1 MET 3 11.830 10.336 4.009 25 1HE MET 3 HE1 MET 3 14.893 9.940 2.437 26 2HE MET 3 HE2 MET 3 15.029 11.647 2.023 27 3HE MET 3 HE3 MET 3 13.470 10.838 1.891 28 H HIS 4 HN HIS 4 12.197 6.811 7.481 29 HA HIS 4 HA HIS 4 11.475 7.944 10.133 30 1HB HIS 4 HB2 HIS 4 9.497 6.651 9.197 31 2HB HIS 4 HB1 HIS 4 10.509 5.208 9.277 32 HD1 HIS 4 HD1 HIS 4 10.353 3.968 11.429 33 HD2 HIS 4 HD2 HIS 4 9.457 8.009 11.930 34 HE1 HIS 4 HE1 HIS 4 9.728 4.267 13.866 35 HA PRO 5 HA PRO 5 15.428 5.479 10.033 36 1HB PRO 5 HB2 PRO 5 16.693 7.529 11.614 37 2HB PRO 5 HB1 PRO 5 16.983 7.146 9.915 38 1HG PRO 5 HG2 PRO 5 15.665 9.481 10.972 39 2HG PRO 5 HG1 PRO 5 15.914 9.063 9.271 40 1HD PRO 5 HD2 PRO 5 13.443 8.919 10.829 41 2HD PRO 5 HD1 PRO 5 13.659 8.687 9.081 42 H HIS 6 HN HIS 6 13.778 4.272 11.501 43 HA HIS 6 HA HIS 6 13.136 3.429 13.610 44 1HB HIS 6 HB2 HIS 6 16.023 4.146 14.215 45 2HB HIS 6 HB1 HIS 6 15.032 2.991 15.108 46 HD1 HIS 6 HD1 HIS 6 16.337 3.524 11.564 47 HD2 HIS 6 HD2 HIS 6 15.130 0.423 14.075 48 HE1 HIS 6 HE1 HIS 6 16.797 1.370 10.314 49 H GLY 7 HN GLY 7 14.913 4.658 15.963 50 1HA GLY 7 HA2 GLY 7 12.867 6.490 16.868 51 2HA GLY 7 HA1 GLY 7 14.428 6.228 17.651 52 H ALA 8 HN ALA 8 12.635 8.295 15.558 53 HA ALA 8 HA ALA 8 14.620 10.362 15.744 54 1HB ALA 8 HB1 ALA 8 15.204 8.528 13.769 55 2HB ALA 8 HB2 ALA 8 15.758 10.196 13.752 56 3HB ALA 8 HB3 ALA 8 14.306 9.736 12.856 57 HA PRO 9 HA PRO 9 11.127 12.754 14.466 58 1HB PRO 9 HB2 PRO 9 12.232 14.520 12.533 59 2HB PRO 9 HB1 PRO 9 12.177 14.786 14.283 60 1HG PRO 9 HG2 PRO 9 14.518 14.286 12.675 61 2HG PRO 9 HG1 PRO 9 14.446 14.482 14.433 62 1HD PRO 9 HD2 PRO 9 14.697 12.005 12.853 63 2HD PRO 9 HD1 PRO 9 15.003 12.255 14.587 64 HA PRO 10 HA PRO 10 10.068 10.720 10.595 65 1HB PRO 10 HB2 PRO 10 7.393 11.670 10.458 66 2HB PRO 10 HB1 PRO 10 7.917 10.142 11.182 67 1HG PRO 10 HG2 PRO 10 7.035 12.609 12.536 68 2HG PRO 10 HG1 PRO 10 7.225 10.982 13.207 69 1HD PRO 10 HD2 PRO 10 8.982 13.209 13.614 70 2HD PRO 10 HD1 PRO 10 9.260 11.523 14.107 71 H ASN 11 HN ASN 11 11.008 11.770 8.835 72 HA ASN 11 HA ASN 11 10.381 14.622 8.362 73 1HB ASN 11 HB2 ASN 11 12.150 13.061 6.512 74 2HB ASN 11 HB1 ASN 11 12.300 14.725 7.063 75 1HD2 ASN 11 HD21 ASN 11 13.782 11.786 7.387 76 2HD2 ASN 11 HD22 ASN 11 14.431 11.961 8.945 77 H HIS 12 HN HIS 12 8.115 14.195 7.813 78 HA HIS 12 HA HIS 12 7.514 12.641 5.424 79 1HB HIS 12 HB2 HIS 12 5.242 13.820 5.694 80 2HB HIS 12 HB1 HIS 12 5.751 12.771 7.017 81 HD1 HIS 12 HD1 HIS 12 6.074 16.463 6.080 82 HD2 HIS 12 HD2 HIS 12 5.652 14.053 9.455 83 HE1 HIS 12 HE1 HIS 12 5.894 18.030 8.061 84 H ARG 13 HN ARG 13 6.977 13.472 3.381 85 HA ARG 13 HA ARG 13 7.744 16.346 2.887 86 1HB ARG 13 HB2 ARG 13 8.222 15.323 0.491 87 2HB ARG 13 HB1 ARG 13 9.435 15.222 1.765 88 1HG ARG 13 HG2 ARG 13 7.407 13.023 1.620 89 2HG ARG 13 HG1 ARG 13 8.652 13.058 0.377 90 1HD ARG 13 HD2 ARG 13 9.299 13.219 3.339 91 2HD ARG 13 HD1 ARG 13 9.274 11.693 2.447 92 HE ARG 13 HE ARG 13 10.949 13.221 0.919 93 1HH1 ARG 13 HH21 ARG 13 10.689 12.566 4.293 94 2HH1 ARG 13 HH22 ARG 13 12.392 12.685 4.582 95 1HH2 ARG 13 HH11 ARG 13 13.173 13.383 1.277 96 2HH2 ARG 13 HH12 ARG 13 13.799 13.142 2.874 97 HA PRO 14 HA PRO 14 3.253 15.774 1.906 98 1HB PRO 14 HB2 PRO 14 3.257 18.720 1.895 99 2HB PRO 14 HB1 PRO 14 2.283 17.606 2.846 100 1HG PRO 14 HG2 PRO 14 4.396 19.137 3.848 101 2HG PRO 14 HG1 PRO 14 3.738 17.687 4.624 102 1HD PRO 14 HD2 PRO 14 6.294 18.024 3.195 103 2HD PRO 14 HD1 PRO 14 5.804 16.725 4.306 104 H TRP 15 HN TRP 15 3.439 18.776 0.336 105 HA TRP 15 HA TRP 15 3.296 19.280 -1.949 106 1HB TRP 15 HB2 TRP 15 5.692 17.419 -1.951 107 2HB TRP 15 HB1 TRP 15 5.278 18.553 -3.236 108 HD1 TRP 15 HD1 TRP 15 4.682 21.165 -1.900 109 HE1 TRP 15 HE1 TRP 15 6.394 22.430 -0.446 110 HE3 TRP 15 HE3 TRP 15 7.805 17.318 -0.666 111 HZ2 TRP 15 HZ2 TRP 15 8.774 21.883 1.043 112 HZ3 TRP 15 HZ3 TRP 15 9.786 17.717 0.769 113 HH2 TRP 15 HH2 TRP 15 10.274 19.993 1.624 114 H GLN 16 HN GLN 16 1.536 17.179 -1.181 115 HA GLN 16 HA GLN 16 1.203 15.889 -3.792 116 1HB GLN 16 HB2 GLN 16 1.097 13.599 -2.849 117 2HB GLN 16 HB1 GLN 16 2.715 14.293 -2.747 118 1HG GLN 16 HG2 GLN 16 2.120 15.029 -0.384 119 2HG GLN 16 HG1 GLN 16 0.676 14.029 -0.526 120 1HE2 GLN 16 HE21 GLN 16 3.547 13.840 0.917 121 2HE2 GLN 16 HE22 GLN 16 3.936 12.205 0.678 122 H MET 17 HN MET 17 -0.063 17.356 -1.154 123 HA MET 17 HA MET 17 -2.379 16.064 -0.311 124 1HB MET 17 HB2 MET 17 -1.651 18.414 0.282 125 2HB MET 17 HB1 MET 17 -2.334 18.941 -1.256 126 1HG MET 17 HG2 MET 17 -4.538 18.185 -0.614 127 2HG MET 17 HG1 MET 17 -3.903 17.424 0.845 128 1HE MET 17 HE1 MET 17 -4.711 21.827 -0.012 129 2HE MET 17 HE2 MET 17 -5.385 20.400 -0.796 130 3HE MET 17 HE3 MET 17 -3.704 20.843 -1.083 131 H LYS 18 HN LYS 18 -1.682 17.340 -3.477 132 HA LYS 18 HA LYS 18 -4.403 17.192 -4.475 133 1HB LYS 18 HB2 LYS 18 -3.191 17.193 -6.755 134 2HB LYS 18 HB1 LYS 18 -2.953 18.599 -5.716 135 1HG LYS 18 HG2 LYS 18 -0.804 17.837 -5.009 136 2HG LYS 18 HG1 LYS 18 -1.071 16.233 -5.691 137 1HD LYS 18 HD2 LYS 18 0.398 17.528 -7.166 138 2HD LYS 18 HD1 LYS 18 -1.147 17.234 -7.964 139 1HE LYS 18 HE2 LYS 18 -1.884 19.454 -7.615 140 2HE LYS 18 HE1 LYS 18 -0.664 19.757 -6.377 141 1HZ LYS 18 HZ1 LYS 18 0.836 20.307 -7.907 142 2HZ LYS 18 HZ2 LYS 18 -0.455 20.404 -9.007 143 3HZ LYS 18 HZ3 LYS 18 0.463 18.979 -8.894 144 H ASP 19 HN ASP 19 -1.706 14.953 -4.316 145 HA ASP 19 HA ASP 19 -2.592 12.955 -6.094 146 1HB ASP 19 HB2 ASP 19 -0.382 12.978 -5.043 147 2HB ASP 19 HB1 ASP 19 -1.113 12.626 -3.477 148 H LEU 20 HN LEU 20 -2.671 12.414 -2.593 149 HA LEU 20 HA LEU 20 -4.643 10.437 -2.633 150 1HB LEU 20 HB2 LEU 20 -5.031 11.097 -0.181 151 2HB LEU 20 HB1 LEU 20 -3.422 10.563 -0.643 152 HG LEU 20 HG LEU 20 -3.889 13.501 -0.934 153 1HD1 LEU 20 HD11 LEU 20 -3.550 13.899 1.511 154 2HD1 LEU 20 HD12 LEU 20 -3.812 12.178 1.793 155 3HD1 LEU 20 HD13 LEU 20 -5.113 13.172 1.138 156 1HD2 LEU 20 HD21 LEU 20 -1.680 12.121 0.600 157 2HD2 LEU 20 HD22 LEU 20 -1.626 13.646 -0.283 158 3HD2 LEU 20 HD23 LEU 20 -1.685 12.120 -1.162 159 H GLN 21 HN GLN 21 -5.053 13.947 -2.436 160 HA GLN 21 HA GLN 21 -7.721 14.122 -1.632 161 1HB GLN 21 HB2 GLN 21 -6.492 16.145 -2.037 162 2HB GLN 21 HB1 GLN 21 -6.243 15.729 -3.733 163 1HG GLN 21 HG2 GLN 21 -8.549 16.062 -4.250 164 2HG GLN 21 HG1 GLN 21 -9.001 16.092 -2.546 165 1HE2 GLN 21 HE21 GLN 21 -6.138 17.780 -3.807 166 2HE2 GLN 21 HE22 GLN 21 -6.731 19.347 -3.535 167 H ALA 22 HN ALA 22 -6.679 13.899 -5.071 168 HA ALA 22 HA ALA 22 -9.278 13.527 -6.103 169 1HB ALA 22 HB1 ALA 22 -7.587 13.908 -7.728 170 2HB ALA 22 HB2 ALA 22 -8.015 12.216 -7.979 171 3HB ALA 22 HB3 ALA 22 -6.556 12.633 -7.077 172 H ILE 23 HN ILE 23 -7.105 11.139 -4.643 173 HA ILE 23 HA ILE 23 -8.773 8.887 -5.366 174 HB ILE 23 HB ILE 23 -6.643 9.388 -3.305 175 1HG1 ILE 23 HG12 ILE 23 -5.680 7.322 -4.588 176 2HG1 ILE 23 HG11 ILE 23 -6.916 7.676 -5.786 177 1HG2 ILE 23 HG21 ILE 23 -8.668 7.205 -3.222 178 2HG2 ILE 23 HG22 ILE 23 -7.744 7.931 -1.915 179 3HG2 ILE 23 HG23 ILE 23 -6.993 6.729 -2.957 180 1HD1 ILE 23 HD11 ILE 23 -6.054 9.949 -6.060 181 2HD1 ILE 23 HD12 ILE 23 -4.767 8.777 -6.328 182 3HD1 ILE 23 HD13 ILE 23 -4.849 9.660 -4.807 183 H LYS 24 HN LYS 24 -8.452 10.698 -2.244 184 HA LYS 24 HA LYS 24 -10.595 9.669 -0.811 185 1HB LYS 24 HB2 LYS 24 -8.960 11.653 -0.302 186 2HB LYS 24 HB1 LYS 24 -10.218 12.647 -1.033 187 1HG LYS 24 HG2 LYS 24 -11.865 11.765 0.572 188 2HG LYS 24 HG1 LYS 24 -10.625 10.734 1.290 189 1HD LYS 24 HD2 LYS 24 -9.312 12.738 1.895 190 2HD LYS 24 HD1 LYS 24 -10.564 13.766 1.196 191 1HE LYS 24 HE2 LYS 24 -12.209 12.752 2.795 192 2HE LYS 24 HE1 LYS 24 -10.874 11.884 3.552 193 1HZ LYS 24 HZ1 LYS 24 -10.463 13.682 4.748 194 2HZ LYS 24 HZ2 LYS 24 -11.693 14.545 3.955 195 3HZ LYS 24 HZ3 LYS 24 -10.112 14.548 3.333 196 H GLN 25 HN GLN 25 -10.861 12.187 -3.344 197 HA GLN 25 HA GLN 25 -13.491 12.823 -3.230 198 1HB GLN 25 HB2 GLN 25 -11.931 12.144 -5.714 199 2HB GLN 25 HB1 GLN 25 -13.512 12.913 -5.742 200 1HG GLN 25 HG2 GLN 25 -11.200 14.021 -4.140 201 2HG GLN 25 HG1 GLN 25 -11.519 14.503 -5.806 202 1HE2 GLN 25 HE21 GLN 25 -12.753 14.681 -2.490 203 2HE2 GLN 25 HE22 GLN 25 -13.939 15.854 -2.806 204 H GLU 26 HN GLU 26 -12.133 10.032 -4.933 205 HA GLU 26 HA GLU 26 -14.556 8.748 -5.761 206 1HB GLU 26 HB2 GLU 26 -11.819 7.589 -5.161 207 2HB GLU 26 HB1 GLU 26 -13.123 6.698 -5.946 208 1HG GLU 26 HG2 GLU 26 -12.030 9.323 -6.990 209 2HG GLU 26 HG1 GLU 26 -11.474 7.744 -7.548 210 H VAL 27 HN VAL 27 -13.034 8.983 -2.636 211 HA VAL 27 HA VAL 27 -14.817 6.821 -1.559 212 HB VAL 27 HB VAL 27 -12.754 8.269 0.057 213 1HG1 VAL 27 HG11 VAL 27 -12.585 5.967 1.092 214 2HG1 VAL 27 HG12 VAL 27 -13.960 5.509 0.089 215 3HG1 VAL 27 HG13 VAL 27 -14.132 6.784 1.291 216 1HG2 VAL 27 HG21 VAL 27 -11.150 6.379 -0.630 217 2HG2 VAL 27 HG22 VAL 27 -11.370 7.708 -1.768 218 3HG2 VAL 27 HG23 VAL 27 -12.210 6.189 -2.023 219 H SER 28 HN SER 28 -14.642 10.033 -2.305 220 HA SER 28 HA SER 28 -16.220 10.911 0.034 221 1HB SER 28 HB2 SER 28 -14.480 12.391 -1.163 222 2HB SER 28 HB1 SER 28 -15.652 12.524 -2.473 223 HG SER 28 HG SER 28 -17.019 12.966 -0.322 224 H GLN 29 HN GLN 29 -16.561 8.993 -2.378 225 HA GLN 29 HA GLN 29 -19.145 9.919 -3.560 226 1HB GLN 29 HB2 GLN 29 -17.217 9.418 -5.075 227 2HB GLN 29 HB1 GLN 29 -17.303 7.740 -4.539 228 1HG GLN 29 HG2 GLN 29 -19.622 7.581 -5.313 229 2HG GLN 29 HG1 GLN 29 -19.597 9.280 -5.789 230 1HE2 GLN 29 HE21 GLN 29 -17.849 9.851 -7.479 231 2HE2 GLN 29 HE22 GLN 29 -17.495 8.684 -8.659 232 H ALA 30 HN ALA 30 -17.332 7.224 -2.094 233 HA ALA 30 HA ALA 30 -19.829 5.586 -1.795 234 1HB ALA 30 HB1 ALA 30 -17.762 4.589 -2.843 235 2HB ALA 30 HB2 ALA 30 -18.375 3.700 -1.455 236 3HB ALA 30 HB3 ALA 30 -16.964 4.746 -1.278 237 H ALA 31 HN ALA 31 -18.445 4.061 0.271 238 HA ALA 31 HA ALA 31 -19.185 5.719 2.632 239 1HB ALA 31 HB1 ALA 31 -19.655 3.016 1.862 240 2HB ALA 31 HB2 ALA 31 -20.079 3.751 3.403 241 3HB ALA 31 HB3 ALA 31 -18.529 2.927 3.215 242 HA PRO 32 HA PRO 32 -15.023 6.092 4.003 243 1HB PRO 32 HB2 PRO 32 -15.086 4.761 6.549 244 2HB PRO 32 HB1 PRO 32 -15.310 6.486 6.242 245 1HG PRO 32 HG2 PRO 32 -17.332 4.488 6.955 246 2HG PRO 32 HG1 PRO 32 -17.499 6.251 6.884 247 1HD PRO 32 HD2 PRO 32 -18.563 4.361 5.035 248 2HD PRO 32 HD1 PRO 32 -18.561 6.123 4.849 249 H GLY 33 HN GLY 33 -14.699 4.398 2.216 250 1HA GLY 33 HA2 GLY 33 -12.725 2.737 2.186 251 2HA GLY 33 HA1 GLY 33 -13.707 1.788 3.307 252 H SER 34 HN SER 34 -14.905 0.254 2.382 253 HA SER 34 HA SER 34 -16.109 -0.965 0.833 254 1HB SER 34 HB2 SER 34 -17.887 0.304 0.222 255 2HB SER 34 HB1 SER 34 -16.979 1.743 0.666 256 HG SER 34 HG SER 34 -16.511 0.470 -1.801 257 HA PRO 35 HA PRO 35 -13.542 -1.815 -2.603 258 1HB PRO 35 HB2 PRO 35 -15.503 -2.068 -4.703 259 2HB PRO 35 HB1 PRO 35 -14.784 -3.364 -3.738 260 1HG PRO 35 HG2 PRO 35 -17.483 -2.269 -3.554 261 2HG PRO 35 HG1 PRO 35 -16.806 -3.667 -2.706 262 1HD PRO 35 HD2 PRO 35 -17.405 -1.094 -1.585 263 2HD PRO 35 HD1 PRO 35 -16.606 -2.457 -0.778 264 H GLN 36 HN GLN 36 -15.423 1.012 -2.563 265 HA GLN 36 HA GLN 36 -14.701 2.007 -5.209 266 1HB GLN 36 HB2 GLN 36 -16.705 2.770 -3.829 267 2HB GLN 36 HB1 GLN 36 -15.561 3.703 -2.860 268 1HG GLN 36 HG2 GLN 36 -16.345 5.202 -4.560 269 2HG GLN 36 HG1 GLN 36 -14.729 4.707 -5.060 270 1HE2 GLN 36 HE21 GLN 36 -17.796 2.850 -5.312 271 2HE2 GLN 36 HE22 GLN 36 -17.746 2.706 -7.002 272 H PHE 37 HN PHE 37 -13.407 2.476 -1.899 273 HA PHE 37 HA PHE 37 -11.317 4.311 -2.733 274 1HB PHE 37 HB2 PHE 37 -12.105 4.267 -0.429 275 2HB PHE 37 HB1 PHE 37 -11.779 2.553 -0.321 276 HD1 PHE 37 HD1 PHE 37 -10.266 2.512 1.480 277 HD2 PHE 37 HD2 PHE 37 -9.497 5.154 -1.828 278 HE1 PHE 37 HE1 PHE 37 -8.022 3.013 2.392 279 HE2 PHE 37 HE2 PHE 37 -7.258 5.634 -0.917 280 HZ PHE 37 HZ PHE 37 -6.513 4.569 1.191 281 H MET 38 HN MET 38 -11.914 1.142 -3.351 282 HA MET 38 HA MET 38 -9.043 0.370 -3.527 283 1HB MET 38 HB2 MET 38 -10.227 -1.528 -2.878 284 2HB MET 38 HB1 MET 38 -11.681 -1.025 -3.720 285 1HG MET 38 HG2 MET 38 -10.569 -3.012 -4.746 286 2HG MET 38 HG1 MET 38 -10.745 -1.676 -5.865 287 1HE MET 38 HE1 MET 38 -9.144 -2.372 -7.484 288 2HE MET 38 HE2 MET 38 -8.734 -3.880 -6.672 289 3HE MET 38 HE3 MET 38 -7.450 -2.814 -7.235 290 H GLN 39 HN GLN 39 -11.769 1.257 -5.625 291 HA GLN 39 HA GLN 39 -10.447 0.646 -8.094 292 1HB GLN 39 HB2 GLN 39 -12.916 1.223 -7.792 293 2HB GLN 39 HB1 GLN 39 -12.419 2.910 -7.643 294 1HG GLN 39 HG2 GLN 39 -12.979 2.584 -9.942 295 2HG GLN 39 HG1 GLN 39 -11.218 2.622 -9.863 296 1HE2 GLN 39 HE21 GLN 39 -13.921 0.229 -9.746 297 2HE2 GLN 39 HE22 GLN 39 -13.068 -0.990 -10.563 298 H THR 40 HN THR 40 -10.434 3.534 -6.035 299 HA THR 40 HA THR 40 -8.646 5.067 -7.805 300 HB THR 40 HB THR 40 -9.298 6.629 -6.251 301 HG1 THR 40 HG1 THR 40 -7.973 5.147 -4.273 302 1HG2 THR 40 HG21 THR 40 -11.174 5.255 -5.551 303 2HG2 THR 40 HG22 THR 40 -10.446 5.990 -4.121 304 3HG2 THR 40 HG23 THR 40 -10.102 4.309 -4.526 305 H ILE 41 HN ILE 41 -7.803 3.861 -4.573 306 HA ILE 41 HA ILE 41 -5.108 3.772 -4.777 307 HB ILE 41 HB ILE 41 -6.849 1.540 -3.744 308 1HG1 ILE 41 HG12 ILE 41 -7.261 3.786 -2.806 309 2HG1 ILE 41 HG11 ILE 41 -6.610 2.680 -1.601 310 1HG2 ILE 41 HG21 ILE 41 -4.846 1.067 -2.267 311 2HG2 ILE 41 HG22 ILE 41 -3.912 2.099 -3.348 312 3HG2 ILE 41 HG23 ILE 41 -4.655 0.623 -3.962 313 1HD1 ILE 41 HD11 ILE 41 -4.280 3.748 -2.462 314 2HD1 ILE 41 HD12 ILE 41 -5.238 4.504 -1.198 315 3HD1 ILE 41 HD13 ILE 41 -5.352 5.087 -2.854 316 H ARG 42 HN ARG 42 -7.233 1.756 -6.687 317 HA ARG 42 HA ARG 42 -5.219 -0.144 -7.513 318 1HB ARG 42 HB2 ARG 42 -7.683 -0.522 -7.745 319 2HB ARG 42 HB1 ARG 42 -7.701 0.707 -9.000 320 1HG ARG 42 HG2 ARG 42 -5.946 -0.671 -10.226 321 2HG ARG 42 HG1 ARG 42 -6.251 -1.947 -9.050 322 1HD ARG 42 HD2 ARG 42 -8.724 -1.734 -9.694 323 2HD ARG 42 HD1 ARG 42 -8.170 -0.775 -11.066 324 HE ARG 42 HE ARG 42 -6.629 -3.071 -11.207 325 1HH1 ARG 42 HH21 ARG 42 -9.988 -2.330 -10.974 326 2HH1 ARG 42 HH22 ARG 42 -10.494 -3.727 -11.865 327 1HH2 ARG 42 HH11 ARG 42 -7.269 -4.898 -12.371 328 2HH2 ARG 42 HH12 ARG 42 -8.954 -5.181 -12.656 329 H LEU 43 HN LEU 43 -6.504 2.900 -8.919 330 HA LEU 43 HA LEU 43 -4.474 2.777 -11.069 331 1HB LEU 43 HB2 LEU 43 -6.828 4.562 -10.456 332 2HB LEU 43 HB1 LEU 43 -5.631 5.038 -11.656 333 HG LEU 43 HG LEU 43 -7.608 3.850 -12.616 334 1HD1 LEU 43 HD11 LEU 43 -5.292 2.001 -13.080 335 2HD1 LEU 43 HD12 LEU 43 -5.083 3.706 -13.476 336 3HD1 LEU 43 HD13 LEU 43 -6.366 2.775 -14.241 337 1HD2 LEU 43 HD21 LEU 43 -7.978 1.523 -12.192 338 2HD2 LEU 43 HD22 LEU 43 -7.862 2.323 -10.628 339 3HD2 LEU 43 HD23 LEU 43 -6.494 1.396 -11.248 340 H ALA 44 HN ALA 44 -4.734 4.006 -7.902 341 HA ALA 44 HA ALA 44 -2.885 6.291 -8.450 342 1HB ALA 44 HB1 ALA 44 -3.265 6.984 -6.233 343 2HB ALA 44 HB2 ALA 44 -3.673 5.357 -5.691 344 3HB ALA 44 HB3 ALA 44 -4.818 6.274 -6.670 345 H VAL 45 HN VAL 45 -2.822 3.168 -6.738 346 HA VAL 45 HA VAL 45 0.009 3.467 -6.158 347 HB VAL 45 HB VAL 45 -1.951 1.179 -5.898 348 1HG1 VAL 45 HG11 VAL 45 0.113 0.071 -6.376 349 2HG1 VAL 45 HG12 VAL 45 -0.039 0.060 -4.619 350 3HG1 VAL 45 HG13 VAL 45 1.034 1.218 -5.403 351 1HG2 VAL 45 HG21 VAL 45 -1.642 1.562 -3.520 352 2HG2 VAL 45 HG22 VAL 45 -2.020 3.106 -4.286 353 3HG2 VAL 45 HG23 VAL 45 -0.358 2.728 -3.836 354 H GLN 46 HN GLN 46 -1.956 2.099 -8.730 355 HA GLN 46 HA GLN 46 0.278 0.598 -9.879 356 1HB GLN 46 HB2 GLN 46 -2.080 -0.132 -10.150 357 2HB GLN 46 HB1 GLN 46 -2.405 1.328 -11.085 358 1HG GLN 46 HG2 GLN 46 -0.834 0.664 -12.797 359 2HG GLN 46 HG1 GLN 46 -0.273 -0.695 -11.822 360 1HE2 GLN 46 HE21 GLN 46 -1.808 -2.516 -11.499 361 2HE2 GLN 46 HE22 GLN 46 -3.089 -2.752 -12.587 362 H GLN 47 HN GLN 47 -0.948 3.866 -10.111 363 HA GLN 47 HA GLN 47 0.323 4.299 -12.718 364 1HB GLN 47 HB2 GLN 47 -1.221 6.063 -10.837 365 2HB GLN 47 HB1 GLN 47 -0.379 6.738 -12.229 366 1HG GLN 47 HG2 GLN 47 -1.654 5.415 -13.765 367 2HG GLN 47 HG1 GLN 47 -2.330 4.434 -12.466 368 1HE2 GLN 47 HE21 GLN 47 -3.889 6.027 -14.403 369 2HE2 GLN 47 HE22 GLN 47 -4.746 7.182 -13.503 370 H PHE 48 HN PHE 48 0.642 6.046 -9.615 371 HA PHE 48 HA PHE 48 3.337 6.939 -10.392 372 1HB PHE 48 HB2 PHE 48 1.669 8.434 -9.253 373 2HB PHE 48 HB1 PHE 48 1.838 7.437 -7.808 374 HD1 PHE 48 HD1 PHE 48 3.559 9.787 -10.082 375 HD2 PHE 48 HD2 PHE 48 3.853 7.496 -6.460 376 HE1 PHE 48 HE1 PHE 48 5.593 11.056 -9.444 377 HE2 PHE 48 HE2 PHE 48 5.886 8.764 -5.823 378 HZ PHE 48 HZ PHE 48 6.756 10.544 -7.314 379 H ASP 49 HN ASP 49 2.180 4.142 -8.984 380 HA ASP 49 HA ASP 49 3.101 2.655 -7.341 381 1HB ASP 49 HB2 ASP 49 5.464 3.378 -9.087 382 2HB ASP 49 HB1 ASP 49 5.370 1.956 -8.049 383 HA PRO 50 HA PRO 50 4.987 6.058 -4.742 384 1HB PRO 50 HB2 PRO 50 3.498 4.822 -2.533 385 2HB PRO 50 HB1 PRO 50 3.368 6.469 -3.171 386 1HG PRO 50 HG2 PRO 50 1.457 4.400 -3.506 387 2HG PRO 50 HG1 PRO 50 1.490 5.941 -4.377 388 1HD PRO 50 HD2 PRO 50 2.163 3.265 -5.369 389 2HD PRO 50 HD1 PRO 50 1.933 4.763 -6.299 390 H THR 51 HN THR 51 6.590 5.726 -2.981 391 HA THR 51 HA THR 51 7.897 3.109 -3.214 392 HB THR 51 HB THR 51 9.643 4.090 -1.812 393 HG1 THR 51 HG1 THR 51 9.338 5.975 -0.781 394 1HG2 THR 51 HG21 THR 51 10.065 6.187 -3.214 395 2HG2 THR 51 HG22 THR 51 8.522 5.848 -3.998 396 3HG2 THR 51 HG23 THR 51 9.842 4.682 -4.105 397 H ALA 52 HN ALA 52 8.566 1.930 -1.154 398 HA ALA 52 HA ALA 52 6.319 1.151 0.337 399 1HB ALA 52 HB1 ALA 52 9.103 1.056 1.502 400 2HB ALA 52 HB2 ALA 52 8.645 0.026 0.146 401 3HB ALA 52 HB3 ALA 52 7.793 -0.112 1.682 402 H LYS 53 HN LYS 53 8.458 3.824 0.678 403 HA LYS 53 HA LYS 53 7.812 4.521 3.427 404 1HB LYS 53 HB2 LYS 53 9.016 6.133 1.158 405 2HB LYS 53 HB1 LYS 53 8.896 6.698 2.822 406 1HG LYS 53 HG2 LYS 53 10.332 4.926 3.608 407 2HG LYS 53 HG1 LYS 53 10.302 4.134 2.032 408 1HD LYS 53 HD2 LYS 53 11.459 6.047 1.022 409 2HD LYS 53 HD1 LYS 53 11.449 6.889 2.572 410 1HE LYS 53 HE2 LYS 53 12.782 5.037 3.560 411 2HE LYS 53 HE1 LYS 53 12.843 4.262 1.977 412 1HZ LYS 53 HZ1 LYS 53 13.774 7.036 2.423 413 2HZ LYS 53 HZ2 LYS 53 14.086 6.025 1.094 414 3HZ LYS 53 HZ3 LYS 53 14.800 5.698 2.600 415 H ASP 54 HN ASP 54 6.685 5.543 0.207 416 HA ASP 54 HA ASP 54 4.708 7.446 1.325 417 1HB ASP 54 HB2 ASP 54 5.783 7.737 -0.959 418 2HB ASP 54 HB1 ASP 54 4.931 6.284 -1.463 419 H LEU 55 HN LEU 55 4.888 4.049 0.782 420 HA LEU 55 HA LEU 55 2.043 3.676 0.467 421 1HB LEU 55 HB2 LEU 55 4.352 1.960 1.214 422 2HB LEU 55 HB1 LEU 55 2.825 1.445 1.914 423 HG LEU 55 HG LEU 55 3.268 1.977 -1.044 424 1HD1 LEU 55 HD11 LEU 55 4.512 0.024 -0.596 425 2HD1 LEU 55 HD12 LEU 55 2.943 -0.600 -1.095 426 3HD1 LEU 55 HD13 LEU 55 3.364 -0.543 0.616 427 1HD2 LEU 55 HD21 LEU 55 1.040 0.410 -0.893 428 2HD2 LEU 55 HD22 LEU 55 0.972 2.166 -0.898 429 3HD2 LEU 55 HD23 LEU 55 0.882 1.288 0.628 430 H GLN 56 HN GLN 56 4.222 4.015 3.252 431 HA GLN 56 HA GLN 56 2.245 3.681 5.288 432 1HB GLN 56 HB2 GLN 56 4.772 5.352 5.337 433 2HB GLN 56 HB1 GLN 56 3.862 4.819 6.751 434 1HG GLN 56 HG2 GLN 56 4.309 2.490 6.231 435 2HG GLN 56 HG1 GLN 56 5.077 2.939 4.707 436 1HE2 GLN 56 HE21 GLN 56 5.411 4.097 8.120 437 2HE2 GLN 56 HE22 GLN 56 7.104 3.980 8.142 438 H ASP 57 HN ASP 57 3.768 6.817 4.432 439 HA ASP 57 HA ASP 57 1.966 8.514 5.671 440 1HB ASP 57 HB2 ASP 57 3.918 9.390 4.485 441 2HB ASP 57 HB1 ASP 57 3.214 8.926 2.936 442 H LEU 58 HN LEU 58 1.307 6.767 2.670 443 HA LEU 58 HA LEU 58 -1.322 8.148 2.414 444 1HB LEU 58 HB2 LEU 58 0.138 6.008 0.840 445 2HB LEU 58 HB1 LEU 58 -1.582 6.276 0.589 446 HG LEU 58 HG LEU 58 0.023 7.515 -0.980 447 1HD1 LEU 58 HD11 LEU 58 -1.423 9.364 -1.186 448 2HD1 LEU 58 HD12 LEU 58 -1.758 9.417 0.541 449 3HD1 LEU 58 HD13 LEU 58 -2.435 8.126 -0.450 450 1HD2 LEU 58 HD21 LEU 58 1.175 9.443 -0.194 451 2HD2 LEU 58 HD22 LEU 58 1.554 8.174 0.967 452 3HD2 LEU 58 HD23 LEU 58 0.349 9.398 1.363 453 H LEU 59 HN LEU 59 0.002 5.269 3.800 454 HA LEU 59 HA LEU 59 -2.736 4.209 4.348 455 1HB LEU 59 HB2 LEU 59 -0.654 2.738 3.771 456 2HB LEU 59 HB1 LEU 59 -0.146 3.089 5.421 457 HG LEU 59 HG LEU 59 -2.587 2.314 6.055 458 1HD1 LEU 59 HD11 LEU 59 -3.518 2.096 3.834 459 2HD1 LEU 59 HD12 LEU 59 -3.352 0.478 4.509 460 3HD1 LEU 59 HD13 LEU 59 -2.186 1.060 3.324 461 1HD2 LEU 59 HD21 LEU 59 -0.493 1.140 6.681 462 2HD2 LEU 59 HD22 LEU 59 -0.508 0.311 5.124 463 3HD2 LEU 59 HD23 LEU 59 -1.789 0.007 6.298 464 H GLN 60 HN GLN 60 -0.495 6.353 5.747 465 HA GLN 60 HA GLN 60 -1.475 5.843 8.508 466 1HB GLN 60 HB2 GLN 60 0.540 7.770 7.346 467 2HB GLN 60 HB1 GLN 60 0.107 7.726 9.053 468 1HG GLN 60 HG2 GLN 60 0.800 5.368 9.185 469 2HG GLN 60 HG1 GLN 60 1.215 5.388 7.470 470 1HE2 GLN 60 HE21 GLN 60 2.869 7.224 6.876 471 2HE2 GLN 60 HE22 GLN 60 4.124 7.489 7.987 472 H TYR 61 HN TYR 61 -2.031 8.019 5.825 473 HA TYR 61 HA TYR 61 -3.477 9.967 7.559 474 1HB TYR 61 HB2 TYR 61 -1.881 10.818 5.843 475 2HB TYR 61 HB1 TYR 61 -2.873 10.076 4.588 476 HD1 TYR 61 HD1 TYR 61 -5.066 10.970 4.012 477 HD2 TYR 61 HD2 TYR 61 -2.694 12.750 7.119 478 HE1 TYR 61 HE1 TYR 61 -6.546 12.960 4.001 479 HE2 TYR 61 HE2 TYR 61 -4.174 14.740 7.108 480 HH TYR 61 HH TYR 61 -6.363 15.398 6.452 481 H LEU 62 HN LEU 62 -4.039 8.095 4.554 482 HA LEU 62 HA LEU 62 -6.890 8.615 4.562 483 1HB LEU 62 HB2 LEU 62 -5.313 6.370 3.254 484 2HB LEU 62 HB1 LEU 62 -6.997 6.751 2.908 485 HG LEU 62 HG LEU 62 -4.769 8.780 2.600 486 1HD1 LEU 62 HD11 LEU 62 -4.912 8.246 0.150 487 2HD1 LEU 62 HD12 LEU 62 -5.905 6.848 0.561 488 3HD1 LEU 62 HD13 LEU 62 -4.235 6.938 1.119 489 1HD2 LEU 62 HD21 LEU 62 -6.540 9.680 0.919 490 2HD2 LEU 62 HD22 LEU 62 -6.858 9.901 2.636 491 3HD2 LEU 62 HD23 LEU 62 -7.670 8.612 1.750 492 H CYS 63 HN CYS 63 -4.905 6.460 6.373 493 HA CYS 63 HA CYS 63 -7.345 4.950 7.226 494 1HB CYS 63 HB2 CYS 63 -4.557 4.136 8.014 495 2HB CYS 63 HB1 CYS 63 -5.990 3.145 7.800 496 HG CYS 63 HG CYS 63 -4.001 3.572 5.672 497 H SER 64 HN SER 64 -5.500 4.262 9.682 498 HA SER 64 HA SER 64 -5.157 6.810 11.041 499 1HB SER 64 HB2 SER 64 -6.867 6.269 12.816 500 2HB SER 64 HB1 SER 64 -7.520 6.760 11.257 501 HG SER 64 HG SER 64 -7.286 4.236 10.997 502 H SER 65 HN SER 65 -5.945 3.420 11.930 503 HA SER 65 HA SER 65 -3.243 3.009 12.952 504 1HB SER 65 HB2 SER 65 -3.930 2.659 15.308 505 2HB SER 65 HB1 SER 65 -4.182 4.326 14.798 506 HG SER 65 HG SER 65 -6.299 4.032 14.840 507 H LEU 66 HN LEU 66 -6.359 1.647 14.100 508 HA LEU 66 HA LEU 66 -5.597 -1.023 14.034 509 1HB LEU 66 HB2 LEU 66 -8.345 -0.082 13.186 510 2HB LEU 66 HB1 LEU 66 -7.925 -1.583 14.009 511 HG LEU 66 HG LEU 66 -7.774 1.225 15.139 512 1HD1 LEU 66 HD11 LEU 66 -10.005 0.289 15.206 513 2HD1 LEU 66 HD12 LEU 66 -9.331 0.200 16.833 514 3HD1 LEU 66 HD13 LEU 66 -9.392 -1.245 15.823 515 1HD2 LEU 66 HD21 LEU 66 -7.086 -0.105 17.258 516 2HD2 LEU 66 HD22 LEU 66 -5.851 0.155 16.027 517 3HD2 LEU 66 HD23 LEU 66 -6.665 -1.405 16.142 518 H VAL 67 HN VAL 67 -7.577 0.434 11.435 519 HA VAL 67 HA VAL 67 -7.607 -1.443 9.569 520 HB VAL 67 HB VAL 67 -6.825 1.431 9.071 521 1HG1 VAL 67 HG11 VAL 67 -7.775 0.950 6.743 522 2HG1 VAL 67 HG12 VAL 67 -7.600 -0.760 7.135 523 3HG1 VAL 67 HG13 VAL 67 -6.178 0.281 7.075 524 1HG2 VAL 67 HG21 VAL 67 -8.990 1.150 10.133 525 2HG2 VAL 67 HG22 VAL 67 -9.438 -0.100 8.973 526 3HG2 VAL 67 HG23 VAL 67 -9.252 1.571 8.441 527 H ALA 68 HN ALA 68 -4.650 0.377 10.365 528 HA ALA 68 HA ALA 68 -2.951 -0.683 8.310 529 1HB ALA 68 HB1 ALA 68 -2.459 1.293 9.849 530 2HB ALA 68 HB2 ALA 68 -1.126 0.160 9.622 531 3HB ALA 68 HB3 ALA 68 -2.083 0.109 11.102 532 H SER 69 HN SER 69 -3.773 -1.780 11.592 533 HA SER 69 HA SER 69 -2.035 -4.041 11.858 534 1HB SER 69 HB2 SER 69 -3.416 -3.253 13.667 535 2HB SER 69 HB1 SER 69 -4.878 -3.611 12.766 536 HG SER 69 HG SER 69 -3.269 -5.755 12.796 537 H LEU 70 HN LEU 70 -5.487 -4.205 11.225 538 HA LEU 70 HA LEU 70 -6.013 -6.600 10.193 539 1HB LEU 70 HB2 LEU 70 -7.059 -3.889 9.496 540 2HB LEU 70 HB1 LEU 70 -7.735 -5.338 8.769 541 HG LEU 70 HG LEU 70 -8.141 -6.276 11.037 542 1HD1 LEU 70 HD11 LEU 70 -7.031 -3.589 11.859 543 2HD1 LEU 70 HD12 LEU 70 -6.533 -5.192 12.406 544 3HD1 LEU 70 HD13 LEU 70 -8.083 -4.529 12.917 545 1HD2 LEU 70 HD21 LEU 70 -9.335 -3.535 10.518 546 2HD2 LEU 70 HD22 LEU 70 -10.020 -4.761 11.584 547 3HD2 LEU 70 HD23 LEU 70 -9.918 -5.059 9.849 548 H HIS 71 HN HIS 71 -5.675 -3.881 7.907 549 HA HIS 71 HA HIS 71 -5.766 -5.361 5.717 550 1HB HIS 71 HB2 HIS 71 -5.954 -3.067 5.307 551 2HB HIS 71 HB1 HIS 71 -4.483 -2.694 6.195 552 HD1 HIS 71 HD1 HIS 71 -5.284 -4.711 3.035 553 HD2 HIS 71 HD2 HIS 71 -2.515 -1.933 4.447 554 HE1 HIS 71 HE1 HIS 71 -3.676 -4.264 1.128 555 H HIS 72 HN HIS 72 -2.670 -4.220 7.111 556 HA HIS 72 HA HIS 72 -1.097 -5.730 5.260 557 1HB HIS 72 HB2 HIS 72 -0.049 -3.823 6.383 558 2HB HIS 72 HB1 HIS 72 -0.347 -4.542 7.964 559 HD1 HIS 72 HD1 HIS 72 0.862 -7.055 8.212 560 HD2 HIS 72 HD2 HIS 72 2.482 -4.376 5.460 561 HE1 HIS 72 HE1 HIS 72 3.226 -7.839 7.755 562 H GLN 73 HN GLN 73 -2.930 -6.603 7.919 563 HA GLN 73 HA GLN 73 -1.512 -8.854 8.956 564 1HB GLN 73 HB2 GLN 73 -3.875 -7.832 9.644 565 2HB GLN 73 HB1 GLN 73 -4.494 -9.024 8.501 566 1HG GLN 73 HG2 GLN 73 -4.483 -10.056 10.669 567 2HG GLN 73 HG1 GLN 73 -3.156 -10.770 9.752 568 1HE2 GLN 73 HE21 GLN 73 -1.210 -10.831 10.878 569 2HE2 GLN 73 HE22 GLN 73 -0.773 -9.773 12.132 570 H GLN 74 HN GLN 74 -4.042 -8.759 6.398 571 HA GLN 74 HA GLN 74 -3.781 -11.285 5.357 572 1HB GLN 74 HB2 GLN 74 -3.976 -8.726 3.722 573 2HB GLN 74 HB1 GLN 74 -4.386 -10.338 3.133 574 1HG GLN 74 HG2 GLN 74 -5.683 -9.034 5.543 575 2HG GLN 74 HG1 GLN 74 -6.378 -9.024 3.922 576 1HE2 GLN 74 HE21 GLN 74 -6.750 -11.269 2.930 577 2HE2 GLN 74 HE22 GLN 74 -7.167 -12.537 3.978 578 H LEU 75 HN LEU 75 -2.127 -8.442 3.850 579 HA LEU 75 HA LEU 75 0.006 -9.402 2.378 580 1HB LEU 75 HB2 LEU 75 -0.668 -7.007 3.348 581 2HB LEU 75 HB1 LEU 75 0.609 -7.382 4.500 582 HG LEU 75 HG LEU 75 0.875 -7.392 1.469 583 1HD1 LEU 75 HD11 LEU 75 0.728 -5.159 2.725 584 2HD1 LEU 75 HD12 LEU 75 2.161 -5.410 1.731 585 3HD1 LEU 75 HD13 LEU 75 2.259 -5.605 3.480 586 1HD2 LEU 75 HD21 LEU 75 3.343 -7.652 2.102 587 2HD2 LEU 75 HD22 LEU 75 2.333 -9.076 2.337 588 3HD2 LEU 75 HD23 LEU 75 2.785 -8.080 3.719 589 H ASP 76 HN ASP 76 0.334 -8.897 5.891 590 HA ASP 76 HA ASP 76 2.707 -9.825 6.641 591 1HB ASP 76 HB2 ASP 76 0.507 -9.548 8.010 592 2HB ASP 76 HB1 ASP 76 0.397 -11.298 7.872 593 H SER 77 HN SER 77 0.180 -12.306 6.433 594 HA SER 77 HA SER 77 2.090 -14.428 5.910 595 1HB SER 77 HB2 SER 77 -0.929 -14.318 5.997 596 2HB SER 77 HB1 SER 77 -0.001 -15.800 5.745 597 HG SER 77 HG SER 77 -0.525 -14.464 8.034 598 H LEU 78 HN LEU 78 -0.182 -12.504 3.950 599 HA LEU 78 HA LEU 78 -0.500 -14.120 1.797 600 1HB LEU 78 HB2 LEU 78 -1.013 -11.478 2.317 601 2HB LEU 78 HB1 LEU 78 0.223 -11.310 1.074 602 HG LEU 78 HG LEU 78 -1.217 -13.157 -0.143 603 1HD1 LEU 78 HD11 LEU 78 -2.779 -13.492 1.730 604 2HD1 LEU 78 HD12 LEU 78 -3.630 -12.899 0.303 605 3HD1 LEU 78 HD13 LEU 78 -3.262 -11.798 1.630 606 1HD2 LEU 78 HD21 LEU 78 -1.866 -10.208 0.050 607 2HD2 LEU 78 HD22 LEU 78 -2.628 -11.262 -1.142 608 3HD2 LEU 78 HD23 LEU 78 -0.881 -11.019 -1.167 609 H ILE 79 HN ILE 79 2.137 -11.679 2.137 610 HA ILE 79 HA ILE 79 3.816 -12.457 0.062 611 HB ILE 79 HB ILE 79 4.038 -11.117 2.720 612 1HG1 ILE 79 HG12 ILE 79 3.690 -9.849 0.639 613 2HG1 ILE 79 HG11 ILE 79 5.219 -9.408 1.388 614 1HG2 ILE 79 HG21 ILE 79 6.443 -12.402 1.410 615 2HG2 ILE 79 HG22 ILE 79 5.917 -12.519 3.090 616 3HG2 ILE 79 HG23 ILE 79 6.581 -11.005 2.478 617 1HD1 ILE 79 HD11 ILE 79 4.687 -10.684 -1.209 618 2HD1 ILE 79 HD12 ILE 79 5.979 -11.465 -0.302 619 3HD1 ILE 79 HD13 ILE 79 6.084 -9.748 -0.687 620 H SER 80 HN SER 80 3.924 -13.650 3.473 621 HA SER 80 HA SER 80 5.910 -15.563 3.183 622 1HB SER 80 HB2 SER 80 3.305 -16.099 4.629 623 2HB SER 80 HB1 SER 80 4.873 -16.829 4.964 624 HG SER 80 HG SER 80 5.352 -15.135 6.103 625 H GLU 81 HN GLU 81 2.446 -16.090 2.398 626 HA GLU 81 HA GLU 81 3.020 -18.732 1.325 627 1HB GLU 81 HB2 GLU 81 0.523 -17.049 1.042 628 2HB GLU 81 HB1 GLU 81 0.656 -18.788 0.780 629 1HG GLU 81 HG2 GLU 81 1.237 -19.136 3.127 630 2HG GLU 81 HG1 GLU 81 1.224 -17.395 3.413 631 H ALA 82 HN ALA 82 2.769 -15.480 -0.084 632 HA ALA 82 HA ALA 82 2.146 -16.418 -2.638 633 1HB ALA 82 HB1 ALA 82 1.819 -14.097 -2.246 634 2HB ALA 82 HB2 ALA 82 3.091 -14.170 -3.468 635 3HB ALA 82 HB3 ALA 82 3.505 -13.860 -1.783 636 H GLU 83 HN GLU 83 5.186 -15.790 -1.010 637 HA GLU 83 HA GLU 83 6.875 -16.224 -3.333 638 1HB GLU 83 HB2 GLU 83 8.761 -16.058 -1.763 639 2HB GLU 83 HB1 GLU 83 7.594 -14.777 -1.433 640 1HG GLU 83 HG2 GLU 83 6.569 -16.296 0.316 641 2HG GLU 83 HG1 GLU 83 7.947 -17.373 0.085 642 H THR 84 HN THR 84 5.645 -18.227 -0.697 643 HA THR 84 HA THR 84 7.409 -20.438 -1.014 644 HB THR 84 HB THR 84 4.549 -21.125 -0.560 645 HG1 THR 84 HG1 THR 84 5.873 -19.323 1.175 646 1HG2 THR 84 HG21 THR 84 6.790 -21.286 1.444 647 2HG2 THR 84 HG22 THR 84 6.740 -22.405 0.080 648 3HG2 THR 84 HG23 THR 84 5.408 -22.363 1.237 649 H ARG 85 HN ARG 85 4.311 -19.665 -2.592 650 HA ARG 85 HA ARG 85 3.844 -21.734 -4.278 651 1HB ARG 85 HB2 ARG 85 2.367 -19.919 -4.430 652 2HB ARG 85 HB1 ARG 85 3.651 -18.767 -4.752 653 1HG ARG 85 HG2 ARG 85 3.061 -21.007 -6.695 654 2HG ARG 85 HG1 ARG 85 2.106 -19.529 -6.723 655 1HD ARG 85 HD2 ARG 85 4.767 -18.594 -6.695 656 2HD ARG 85 HD1 ARG 85 4.831 -19.997 -7.751 657 HE ARG 85 HE ARG 85 3.834 -17.483 -8.507 658 1HH1 ARG 85 HH21 ARG 85 2.681 -20.737 -8.383 659 2HH1 ARG 85 HH22 ARG 85 1.513 -20.503 -9.637 660 1HH2 ARG 85 HH11 ARG 85 2.325 -17.175 -10.145 661 2HH2 ARG 85 HH12 ARG 85 1.314 -18.492 -10.636 662 H GLY 86 HN GLY 86 6.331 -19.194 -4.886 663 1HA GLY 86 HA2 GLY 86 8.430 -20.195 -5.940 664 2HA GLY 86 HA1 GLY 86 7.351 -20.879 -7.156 665 H ILE 87 HN ILE 87 7.726 -17.650 -5.631 666 HA ILE 87 HA ILE 87 6.891 -16.148 -7.912 667 HB ILE 87 HB ILE 87 8.510 -15.601 -5.427 668 1HG1 ILE 87 HG12 ILE 87 6.011 -14.295 -6.539 669 2HG1 ILE 87 HG11 ILE 87 6.003 -15.667 -5.435 670 1HG2 ILE 87 HG21 ILE 87 9.721 -14.204 -6.905 671 2HG2 ILE 87 HG22 ILE 87 8.530 -13.136 -6.167 672 3HG2 ILE 87 HG23 ILE 87 8.271 -13.749 -7.800 673 1HD1 ILE 87 HD11 ILE 87 5.787 -13.905 -3.933 674 2HD1 ILE 87 HD12 ILE 87 6.767 -12.815 -4.911 675 3HD1 ILE 87 HD13 ILE 87 7.542 -14.081 -3.960 676 H THR 88 HN THR 88 10.044 -16.873 -6.699 677 HA THR 88 HA THR 88 11.299 -17.408 -9.250 678 HB THR 88 HB THR 88 12.222 -14.761 -8.101 679 HG1 THR 88 HG1 THR 88 10.046 -14.565 -8.757 680 1HG2 THR 88 HG21 THR 88 13.783 -15.915 -9.573 681 2HG2 THR 88 HG22 THR 88 13.124 -14.507 -10.406 682 3HG2 THR 88 HG23 THR 88 12.524 -16.120 -10.791 683 H SER 89 HN SER 89 11.533 -18.939 -7.088 684 HA SER 89 HA SER 89 13.046 -19.772 -5.435 685 1HB SER 89 HB2 SER 89 15.266 -20.014 -6.268 686 2HB SER 89 HB1 SER 89 14.230 -20.013 -7.693 687 HG SER 89 HG SER 89 14.680 -17.563 -7.456 688 H TYR 90 HN TYR 90 12.272 -16.764 -5.499 689 HA TYR 90 HA TYR 90 12.773 -14.782 -4.437 690 1HB TYR 90 HB2 TYR 90 13.546 -15.136 -2.039 691 2HB TYR 90 HB1 TYR 90 12.048 -15.937 -2.528 692 HD1 TYR 90 HD1 TYR 90 11.935 -18.348 -2.797 693 HD2 TYR 90 HD2 TYR 90 15.617 -16.424 -1.703 694 HE1 TYR 90 HE1 TYR 90 12.902 -20.547 -2.184 695 HE2 TYR 90 HE2 TYR 90 16.584 -18.624 -1.090 696 HH TYR 90 HH TYR 90 15.760 -20.864 -0.397 697 H ASN 91 HN ASN 91 14.281 -13.212 -4.498 698 HA ASN 91 HA ASN 91 17.186 -13.965 -4.336 699 1HB ASN 91 HB2 ASN 91 16.823 -11.930 -6.367 700 2HB ASN 91 HB1 ASN 91 17.691 -13.445 -6.420 701 1HD2 ASN 91 HD21 ASN 91 16.961 -14.341 -8.360 702 2HD2 ASN 91 HD22 ASN 91 15.331 -14.661 -8.709 703 HA PRO 92 HA PRO 92 16.999 -9.444 -3.044 704 1HB PRO 92 HB2 PRO 92 14.806 -7.855 -3.800 705 2HB PRO 92 HB1 PRO 92 16.291 -8.044 -4.750 706 1HG PRO 92 HG2 PRO 92 13.656 -8.973 -5.455 707 2HG PRO 92 HG1 PRO 92 15.149 -9.214 -6.362 708 1HD PRO 92 HD2 PRO 92 13.754 -11.092 -4.515 709 2HD PRO 92 HD1 PRO 92 14.838 -11.446 -5.847 710 H LEU 93 HN LEU 93 13.854 -10.984 -2.723 711 HA LEU 93 HA LEU 93 12.779 -9.418 -0.624 712 1HB LEU 93 HB2 LEU 93 12.597 -12.417 -0.506 713 2HB LEU 93 HB1 LEU 93 11.377 -11.211 -0.099 714 HG LEU 93 HG LEU 93 11.802 -10.619 -2.765 715 1HD1 LEU 93 HD11 LEU 93 12.067 -12.600 -4.039 716 2HD1 LEU 93 HD12 LEU 93 11.843 -13.632 -2.629 717 3HD1 LEU 93 HD13 LEU 93 13.324 -12.688 -2.797 718 1HD2 LEU 93 HD21 LEU 93 9.816 -12.406 -1.355 719 2HD2 LEU 93 HD22 LEU 93 9.735 -12.228 -3.105 720 3HD2 LEU 93 HD23 LEU 93 9.573 -10.811 -2.070 721 H ALA 94 HN ALA 94 14.799 -12.247 -0.418 722 HA ALA 94 HA ALA 94 15.693 -12.943 1.899 723 1HB ALA 94 HB1 ALA 94 17.955 -12.857 1.282 724 2HB ALA 94 HB2 ALA 94 17.762 -11.323 0.430 725 3HB ALA 94 HB3 ALA 94 17.098 -12.805 -0.261 726 H GLY 95 HN GLY 95 16.566 -9.625 0.938 727 1HA GLY 95 HA2 GLY 95 17.263 -8.751 3.616 728 2HA GLY 95 HA1 GLY 95 16.980 -7.696 2.224 729 HA PRO 96 HA PRO 96 13.398 -7.374 4.970 730 1HB PRO 96 HB2 PRO 96 13.236 -4.498 4.832 731 2HB PRO 96 HB1 PRO 96 13.876 -5.454 6.178 732 1HG PRO 96 HG2 PRO 96 15.372 -3.889 4.196 733 2HG PRO 96 HG1 PRO 96 15.977 -4.662 5.667 734 1HD PRO 96 HD2 PRO 96 16.320 -5.573 2.932 735 2HD PRO 96 HD1 PRO 96 16.917 -6.343 4.411 736 H LEU 97 HN LEU 97 11.061 -6.095 4.221 737 HA LEU 97 HA LEU 97 10.864 -6.529 1.336 738 1HB LEU 97 HB2 LEU 97 8.735 -5.236 3.068 739 2HB LEU 97 HB1 LEU 97 8.520 -6.156 1.583 740 HG LEU 97 HG LEU 97 9.783 -8.035 3.162 741 1HD1 LEU 97 HD11 LEU 97 7.831 -6.718 5.054 742 2HD1 LEU 97 HD12 LEU 97 9.540 -6.296 5.076 743 3HD1 LEU 97 HD13 LEU 97 9.040 -7.954 5.399 744 1HD2 LEU 97 HD21 LEU 97 7.765 -8.475 1.874 745 2HD2 LEU 97 HD22 LEU 97 6.809 -7.460 2.954 746 3HD2 LEU 97 HD23 LEU 97 7.490 -8.976 3.543 747 H ARG 98 HN ARG 98 10.284 -3.638 3.421 748 HA ARG 98 HA ARG 98 9.881 -1.639 1.613 749 1HB ARG 98 HB2 ARG 98 11.706 -1.682 4.017 750 2HB ARG 98 HB1 ARG 98 11.502 -0.208 3.070 751 1HG ARG 98 HG2 ARG 98 9.185 -0.082 3.550 752 2HG ARG 98 HG1 ARG 98 9.124 -1.754 4.110 753 1HD ARG 98 HD2 ARG 98 10.633 0.495 5.478 754 2HD ARG 98 HD1 ARG 98 9.080 -0.153 6.004 755 HE ARG 98 HE ARG 98 10.718 -2.382 5.906 756 1HH1 ARG 98 HH21 ARG 98 10.848 0.753 7.336 757 2HH1 ARG 98 HH22 ARG 98 11.785 0.238 8.699 758 1HH2 ARG 98 HH11 ARG 98 11.941 -3.072 7.679 759 2HH2 ARG 98 HH12 ARG 98 12.403 -1.927 8.893 760 H VAL 99 HN VAL 99 12.688 -3.534 1.937 761 HA VAL 99 HA VAL 99 14.489 -1.885 0.266 762 HB VAL 99 HB VAL 99 14.664 -4.395 1.852 763 1HG1 VAL 99 HG11 VAL 99 15.172 -5.452 -0.261 764 2HG1 VAL 99 HG12 VAL 99 16.711 -5.165 0.554 765 3HG1 VAL 99 HG13 VAL 99 16.196 -4.104 -0.757 766 1HG2 VAL 99 HG21 VAL 99 16.970 -3.504 2.234 767 2HG2 VAL 99 HG22 VAL 99 15.734 -2.287 2.543 768 3HG2 VAL 99 HG23 VAL 99 16.661 -2.243 1.046 769 H GLN 100 HN GLN 100 12.560 -4.839 -0.136 770 HA GLN 100 HA GLN 100 13.232 -5.596 -2.716 771 1HB GLN 100 HB2 GLN 100 10.538 -5.483 -1.352 772 2HB GLN 100 HB1 GLN 100 10.718 -6.133 -2.978 773 1HG GLN 100 HG2 GLN 100 12.282 -7.798 -2.212 774 2HG GLN 100 HG1 GLN 100 12.313 -7.091 -0.596 775 1HE2 GLN 100 HE21 GLN 100 11.215 -8.561 0.730 776 2HE2 GLN 100 HE22 GLN 100 9.698 -9.234 0.375 777 H ALA 101 HN ALA 101 10.651 -3.196 -1.964 778 HA ALA 101 HA ALA 101 10.710 -2.381 -4.811 779 1HB ALA 101 HB1 ALA 101 8.491 -2.456 -3.935 780 2HB ALA 101 HB2 ALA 101 8.879 -0.735 -3.975 781 3HB ALA 101 HB3 ALA 101 8.965 -1.625 -2.456 782 H ASN 102 HN ASN 102 11.841 -1.020 -1.756 783 HA ASN 102 HA ASN 102 12.376 1.574 -2.973 784 1HB ASN 102 HB2 ASN 102 12.197 1.183 -0.475 785 2HB ASN 102 HB1 ASN 102 13.761 0.366 -0.558 786 1HD2 ASN 102 HD21 ASN 102 14.276 2.486 -2.892 787 2HD2 ASN 102 HD22 ASN 102 14.811 3.840 -2.019 788 H ASN 103 HN ASN 103 13.258 -0.639 -4.586 789 HA ASN 103 HA ASN 103 16.216 -0.152 -4.620 790 1HB ASN 103 HB2 ASN 103 15.738 -2.390 -3.706 791 2HB ASN 103 HB1 ASN 103 14.794 -2.770 -5.147 792 1HD2 ASN 103 HD21 ASN 103 17.747 -3.393 -3.871 793 2HD2 ASN 103 HD22 ASN 103 18.678 -3.488 -5.287 794 HA PRO 104 HA PRO 104 14.300 1.011 -8.702 795 1HB PRO 104 HB2 PRO 104 16.837 2.423 -9.157 796 2HB PRO 104 HB1 PRO 104 15.195 3.082 -9.099 797 1HG PRO 104 HG2 PRO 104 17.175 3.437 -7.115 798 2HG PRO 104 HG1 PRO 104 15.447 3.767 -6.919 799 1HD PRO 104 HD2 PRO 104 17.033 1.569 -5.792 800 2HD PRO 104 HD1 PRO 104 15.381 2.070 -5.368 801 H GLN 105 HN GLN 105 17.396 -0.400 -7.811 802 HA GLN 105 HA GLN 105 18.046 -1.241 -10.521 803 1HB GLN 105 HB2 GLN 105 19.079 -2.337 -7.885 804 2HB GLN 105 HB1 GLN 105 19.826 -2.540 -9.470 805 1HG GLN 105 HG2 GLN 105 20.071 -0.059 -9.628 806 2HG GLN 105 HG1 GLN 105 19.440 0.075 -7.986 807 1HE2 GLN 105 HE21 GLN 105 21.767 -2.297 -9.387 808 2HE2 GLN 105 HE22 GLN 105 23.010 -1.949 -8.286 809 H GLN 106 HN GLN 106 15.788 -2.266 -8.228 810 HA GLN 106 HA GLN 106 15.239 -4.714 -9.804 811 1HB GLN 106 HB2 GLN 106 15.579 -4.778 -6.787 812 2HB GLN 106 HB1 GLN 106 15.115 -6.136 -7.813 813 1HG GLN 106 HG2 GLN 106 17.303 -5.805 -9.057 814 2HG GLN 106 HG1 GLN 106 17.765 -4.673 -7.785 815 1HE2 GLN 106 HE21 GLN 106 19.078 -5.696 -6.279 816 2HE2 GLN 106 HE22 GLN 106 18.893 -7.297 -5.745 817 H GLN 107 HN GLN 107 13.440 -3.259 -10.393 818 HA GLN 107 HA GLN 107 11.489 -2.610 -8.268 819 1HB GLN 107 HB2 GLN 107 11.615 -2.073 -11.246 820 2HB GLN 107 HB1 GLN 107 10.185 -1.694 -10.284 821 1HG GLN 107 HG2 GLN 107 11.396 -0.162 -8.910 822 2HG GLN 107 HG1 GLN 107 12.948 -0.719 -9.537 823 1HE2 GLN 107 HE21 GLN 107 10.551 -0.524 -11.988 824 2HE2 GLN 107 HE22 GLN 107 11.022 0.967 -12.650 825 H GLY 108 HN GLY 108 12.143 -5.336 -10.143 826 1HA GLY 108 HA2 GLY 108 9.657 -6.231 -11.091 827 2HA GLY 108 HA1 GLY 108 10.877 -7.313 -10.416 828 H LEU 109 HN LEU 109 10.998 -7.054 -7.908 829 HA LEU 109 HA LEU 109 8.524 -7.981 -6.772 830 1HB LEU 109 HB2 LEU 109 11.101 -7.015 -5.555 831 2HB LEU 109 HB1 LEU 109 9.729 -7.505 -4.564 832 HG LEU 109 HG LEU 109 11.466 -9.296 -5.070 833 1HD1 LEU 109 HD11 LEU 109 9.027 -9.674 -4.345 834 2HD1 LEU 109 HD12 LEU 109 9.885 -11.027 -5.074 835 3HD1 LEU 109 HD13 LEU 109 8.735 -10.108 -6.031 836 1HD2 LEU 109 HD21 LEU 109 11.687 -8.658 -7.503 837 2HD2 LEU 109 HD22 LEU 109 10.100 -9.383 -7.768 838 3HD2 LEU 109 HD23 LEU 109 11.445 -10.379 -7.215 839 H ARG 110 HN ARG 110 8.978 -4.962 -7.883 840 HA ARG 110 HA ARG 110 7.457 -3.675 -5.628 841 1HB ARG 110 HB2 ARG 110 9.353 -2.365 -6.723 842 2HB ARG 110 HB1 ARG 110 8.418 -2.396 -8.216 843 1HG ARG 110 HG2 ARG 110 6.610 -1.175 -7.216 844 2HG ARG 110 HG1 ARG 110 7.335 -1.306 -5.615 845 1HD ARG 110 HD2 ARG 110 7.761 0.922 -6.585 846 2HD ARG 110 HD1 ARG 110 9.269 0.030 -6.383 847 HE ARG 110 HE ARG 110 8.482 -0.569 -8.974 848 1HH1 ARG 110 HH21 ARG 110 9.003 2.283 -7.106 849 2HH1 ARG 110 HH22 ARG 110 9.486 3.243 -8.464 850 1HH2 ARG 110 HH11 ARG 110 9.109 0.669 -10.756 851 2HH2 ARG 110 HH12 ARG 110 9.546 2.330 -10.531 852 H ARG 111 HN ARG 111 7.078 -3.203 -9.123 853 HA ARG 111 HA ARG 111 4.329 -2.910 -9.225 854 1HB ARG 111 HB2 ARG 111 4.520 -4.286 -11.461 855 2HB ARG 111 HB1 ARG 111 5.398 -2.763 -11.324 856 1HG ARG 111 HG2 ARG 111 7.470 -3.805 -11.019 857 2HG ARG 111 HG1 ARG 111 6.752 -5.298 -10.418 858 1HD ARG 111 HD2 ARG 111 7.573 -5.775 -12.605 859 2HD ARG 111 HD1 ARG 111 5.820 -5.660 -12.747 860 HE ARG 111 HE ARG 111 6.686 -3.091 -13.305 861 1HH1 ARG 111 HH21 ARG 111 7.413 -6.269 -14.429 862 2HH1 ARG 111 HH22 ARG 111 7.813 -5.753 -16.033 863 1HH2 ARG 111 HH11 ARG 111 7.205 -2.400 -15.393 864 2HH2 ARG 111 HH12 ARG 111 7.696 -3.563 -16.579 865 H GLU 112 HN GLU 112 6.014 -5.941 -8.659 866 HA GLU 112 HA GLU 112 3.555 -7.516 -8.806 867 1HB GLU 112 HB2 GLU 112 5.792 -8.522 -9.215 868 2HB GLU 112 HB1 GLU 112 6.228 -8.192 -7.538 869 1HG GLU 112 HG2 GLU 112 4.422 -9.636 -6.742 870 2HG GLU 112 HG1 GLU 112 3.878 -9.907 -8.398 871 H TYR 113 HN TYR 113 5.736 -6.645 -6.121 872 HA TYR 113 HA TYR 113 4.108 -7.462 -3.969 873 1HB TYR 113 HB2 TYR 113 6.398 -6.706 -3.637 874 2HB TYR 113 HB1 TYR 113 5.972 -5.077 -4.162 875 HD1 TYR 113 HD1 TYR 113 4.696 -3.583 -2.708 876 HD2 TYR 113 HD2 TYR 113 5.745 -7.557 -1.463 877 HE1 TYR 113 HE1 TYR 113 4.164 -2.988 -0.360 878 HE2 TYR 113 HE2 TYR 113 5.208 -6.965 0.882 879 HH TYR 113 HH TYR 113 4.119 -5.412 2.184 880 H GLN 114 HN GLN 114 3.580 -4.962 -6.244 881 HA GLN 114 HA GLN 114 1.747 -3.426 -4.531 882 1HB GLN 114 HB2 GLN 114 2.393 -3.238 -7.492 883 2HB GLN 114 HB1 GLN 114 1.332 -2.127 -6.627 884 1HG GLN 114 HG2 GLN 114 4.158 -2.619 -5.678 885 2HG GLN 114 HG1 GLN 114 3.822 -1.443 -6.948 886 1HE2 GLN 114 HE21 GLN 114 4.530 0.274 -5.400 887 2HE2 GLN 114 HE22 GLN 114 3.467 0.800 -4.186 888 H GLN 115 HN GLN 115 1.680 -5.828 -7.112 889 HA GLN 115 HA GLN 115 -1.156 -5.766 -7.565 890 1HB GLN 115 HB2 GLN 115 0.702 -6.872 -8.998 891 2HB GLN 115 HB1 GLN 115 0.578 -8.224 -7.877 892 1HG GLN 115 HG2 GLN 115 -1.758 -7.059 -9.416 893 2HG GLN 115 HG1 GLN 115 -0.864 -8.499 -9.901 894 1HE2 GLN 115 HE21 GLN 115 -3.524 -7.437 -8.059 895 2HE2 GLN 115 HE22 GLN 115 -3.762 -8.847 -7.145 896 H LEU 116 HN LEU 116 0.945 -7.462 -5.283 897 HA LEU 116 HA LEU 116 -1.261 -9.019 -4.128 898 1HB LEU 116 HB2 LEU 116 1.653 -8.595 -3.430 899 2HB LEU 116 HB1 LEU 116 0.560 -9.444 -2.337 900 HG LEU 116 HG LEU 116 -0.016 -11.007 -4.188 901 1HD1 LEU 116 HD11 LEU 116 2.015 -9.312 -5.636 902 2HD1 LEU 116 HD12 LEU 116 0.398 -9.783 -6.160 903 3HD1 LEU 116 HD13 LEU 116 1.694 -10.976 -6.127 904 1HD2 LEU 116 HD21 LEU 116 2.292 -12.107 -4.265 905 2HD2 LEU 116 HD22 LEU 116 1.660 -11.763 -2.655 906 3HD2 LEU 116 HD23 LEU 116 2.881 -10.709 -3.367 907 H TRP 117 HN TRP 117 0.004 -5.863 -3.897 908 HA TRP 117 HA TRP 117 -0.808 -5.366 -1.134 909 1HB TRP 117 HB2 TRP 117 0.998 -4.055 -2.293 910 2HB TRP 117 HB1 TRP 117 -0.238 -3.376 -3.349 911 HD1 TRP 117 HD1 TRP 117 -2.146 -1.850 -2.192 912 HE1 TRP 117 HE1 TRP 117 -2.063 -0.397 -0.064 913 HE3 TRP 117 HE3 TRP 117 1.999 -3.806 0.045 914 HZ2 TRP 117 HZ2 TRP 117 -0.446 -0.105 2.279 915 HZ3 TRP 117 HZ3 TRP 117 2.791 -2.925 2.223 916 HH2 TRP 117 HH2 TRP 117 1.573 -1.079 3.342 917 H LEU 118 HN LEU 118 -2.157 -4.722 -4.404 918 HA LEU 118 HA LEU 118 -4.537 -3.357 -3.429 919 1HB LEU 118 HB2 LEU 118 -4.079 -4.853 -6.026 920 2HB LEU 118 HB1 LEU 118 -5.358 -3.683 -5.700 921 HG LEU 118 HG LEU 118 -2.398 -3.034 -5.552 922 1HD1 LEU 118 HD11 LEU 118 -4.338 -2.308 -7.758 923 2HD1 LEU 118 HD12 LEU 118 -3.217 -3.664 -7.860 924 3HD1 LEU 118 HD13 LEU 118 -2.600 -2.017 -7.724 925 1HD2 LEU 118 HD21 LEU 118 -3.453 -0.655 -5.831 926 2HD2 LEU 118 HD22 LEU 118 -3.541 -1.424 -4.250 927 3HD2 LEU 118 HD23 LEU 118 -4.949 -1.428 -5.310 928 H ALA 119 HN ALA 119 -3.761 -6.788 -4.028 929 HA ALA 119 HA ALA 119 -6.482 -7.719 -3.579 930 1HB ALA 119 HB1 ALA 119 -3.928 -9.072 -2.624 931 2HB ALA 119 HB2 ALA 119 -4.499 -9.201 -4.287 932 3HB ALA 119 HB3 ALA 119 -5.478 -9.841 -2.967 933 H ALA 120 HN ALA 120 -3.918 -7.846 -1.038 934 HA ALA 120 HA ALA 120 -5.710 -7.908 1.076 935 1HB ALA 120 HB1 ALA 120 -3.934 -6.664 2.393 936 2HB ALA 120 HB2 ALA 120 -3.039 -6.506 0.880 937 3HB ALA 120 HB3 ALA 120 -3.372 -8.106 1.544 938 H PHE 121 HN PHE 121 -5.640 -5.392 -1.204 939 HA PHE 121 HA PHE 121 -6.765 -3.434 0.777 940 1HB PHE 121 HB2 PHE 121 -4.764 -2.960 -1.020 941 2HB PHE 121 HB1 PHE 121 -6.153 -2.530 -2.004 942 HD1 PHE 121 HD1 PHE 121 -7.741 -0.763 -1.202 943 HD2 PHE 121 HD2 PHE 121 -4.024 -1.586 0.785 944 HE1 PHE 121 HE1 PHE 121 -7.869 1.428 -0.055 945 HE2 PHE 121 HE2 PHE 121 -4.152 0.606 1.935 946 HZ PHE 121 HZ PHE 121 -6.071 2.114 1.514 947 H ALA 122 HN ALA 122 -7.509 -5.314 -2.075 948 HA ALA 122 HA ALA 122 -10.220 -4.001 -2.291 949 1HB ALA 122 HB1 ALA 122 -9.009 -6.205 -4.005 950 2HB ALA 122 HB2 ALA 122 -8.848 -4.505 -4.422 951 3HB ALA 122 HB3 ALA 122 -10.445 -5.256 -4.375 952 H ALA 123 HN ALA 123 -8.818 -6.926 -1.072 953 HA ALA 123 HA ALA 123 -11.599 -7.978 -0.746 954 1HB ALA 123 HB1 ALA 123 -9.633 -9.518 -1.258 955 2HB ALA 123 HB2 ALA 123 -10.546 -9.945 0.190 956 3HB ALA 123 HB3 ALA 123 -8.997 -9.113 0.336 957 H LEU 124 HN LEU 124 -10.449 -5.424 0.431 958 HA LEU 124 HA LEU 124 -9.879 -5.942 3.087 959 1HB LEU 124 HB2 LEU 124 -10.082 -3.599 1.436 960 2HB LEU 124 HB1 LEU 124 -10.756 -3.215 3.016 961 HG LEU 124 HG LEU 124 -8.058 -4.507 2.595 962 1HD1 LEU 124 HD11 LEU 124 -8.510 -1.653 3.448 963 2HD1 LEU 124 HD12 LEU 124 -8.369 -2.077 1.744 964 3HD1 LEU 124 HD13 LEU 124 -7.029 -2.397 2.846 965 1HD2 LEU 124 HD21 LEU 124 -7.767 -4.463 4.877 966 2HD2 LEU 124 HD22 LEU 124 -9.515 -4.623 4.850 967 3HD2 LEU 124 HD23 LEU 124 -8.790 -3.043 5.098 968 HA PRO 125 HA PRO 125 -14.394 -4.065 4.095 969 1HB PRO 125 HB2 PRO 125 -16.146 -4.448 1.916 970 2HB PRO 125 HB1 PRO 125 -15.481 -2.915 2.506 971 1HG PRO 125 HG2 PRO 125 -14.713 -4.480 0.117 972 2HG PRO 125 HG1 PRO 125 -14.390 -2.779 0.491 973 1HD PRO 125 HD2 PRO 125 -12.501 -4.848 0.603 974 2HD PRO 125 HD1 PRO 125 -12.336 -3.256 1.352 975 H GLY 126 HN GLY 126 -13.360 -6.505 4.443 976 1HA GLY 126 HA2 GLY 126 -15.450 -7.944 5.450 977 2HA GLY 126 HA1 GLY 126 -15.320 -8.580 3.797 978 H SER 127 HN SER 127 -12.237 -8.090 3.979 979 HA SER 127 HA SER 127 -11.673 -10.573 5.564 980 1HB SER 127 HB2 SER 127 -11.208 -10.183 2.980 981 2HB SER 127 HB1 SER 127 -9.760 -9.392 3.594 982 HG SER 127 HG SER 127 -10.668 -12.030 4.138 983 H ALA 128 HN ALA 128 -11.355 -7.192 5.874 984 HA ALA 128 HA ALA 128 -9.676 -7.340 8.164 985 1HB ALA 128 HB1 ALA 128 -8.302 -7.369 5.540 986 2HB ALA 128 HB2 ALA 128 -7.726 -7.931 7.105 987 3HB ALA 128 HB3 ALA 128 -7.639 -6.226 6.695 988 H LYS 129 HN LYS 129 -11.906 -5.813 7.353 989 HA LYS 129 HA LYS 129 -10.864 -3.026 7.564 990 1HB LYS 129 HB2 LYS 129 -11.637 -3.764 5.223 991 2HB LYS 129 HB1 LYS 129 -13.244 -3.857 5.907 992 1HG LYS 129 HG2 LYS 129 -13.213 -1.471 6.407 993 2HG LYS 129 HG1 LYS 129 -11.531 -1.359 5.920 994 1HD LYS 129 HD2 LYS 129 -12.835 -2.478 3.682 995 2HD LYS 129 HD1 LYS 129 -13.978 -1.279 4.278 996 1HE LYS 129 HE2 LYS 129 -11.097 -0.846 3.438 997 2HE LYS 129 HE1 LYS 129 -12.549 -0.150 2.720 998 1HZ LYS 129 HZ1 LYS 129 -11.533 1.481 4.109 999 2HZ LYS 129 HZ2 LYS 129 -11.446 0.403 5.420 1000 3HZ LYS 129 HZ3 LYS 129 -12.955 0.966 4.877 1001 H ASP 130 HN ASP 130 -12.901 -1.626 8.062 1002 HA ASP 130 HA ASP 130 -15.019 -2.932 9.573 1003 1HB ASP 130 HB2 ASP 130 -13.128 -2.649 11.237 1004 2HB ASP 130 HB1 ASP 130 -13.199 -0.912 10.939 1005 HA PRO 131 HA PRO 131 -15.828 1.049 7.271 1006 1HB PRO 131 HB2 PRO 131 -17.449 0.008 5.327 1007 2HB PRO 131 HB1 PRO 131 -15.683 0.014 5.208 1008 1HG PRO 131 HG2 PRO 131 -17.510 -2.280 5.748 1009 2HG PRO 131 HG1 PRO 131 -15.892 -2.291 5.036 1010 1HD PRO 131 HD2 PRO 131 -16.578 -2.922 7.750 1011 2HD PRO 131 HD1 PRO 131 -14.950 -2.769 7.078 1012 H SER 132 HN SER 132 -18.030 -1.659 7.534 1013 HA SER 132 HA SER 132 -19.999 -0.895 9.347 1014 1HB SER 132 HB2 SER 132 -21.737 -0.127 7.531 1015 2HB SER 132 HB1 SER 132 -20.642 1.070 8.214 1016 HG SER 132 HG SER 132 -19.311 0.042 6.260 1017 H TRP 133 HN TRP 133 -20.059 -1.745 5.885 1018 HA TRP 133 HA TRP 133 -19.991 -4.499 5.931 1019 1HB TRP 133 HB2 TRP 133 -21.734 -4.884 7.458 1020 2HB TRP 133 HB1 TRP 133 -22.661 -3.491 6.907 1021 HD1 TRP 133 HD1 TRP 133 -21.361 -6.720 5.186 1022 HE1 TRP 133 HE1 TRP 133 -23.302 -7.736 3.828 1023 HE3 TRP 133 HE3 TRP 133 -25.041 -3.339 6.239 1024 HZ2 TRP 133 HZ2 TRP 133 -26.052 -7.188 3.263 1025 HZ3 TRP 133 HZ3 TRP 133 -27.309 -3.610 5.279 1026 HH2 TRP 133 HH2 TRP 133 -27.819 -5.528 3.794 1027 H ALA 134 HN ALA 134 -21.977 -1.790 4.775 1028 HA ALA 134 HA ALA 134 -22.707 -1.258 2.605 1029 1HB ALA 134 HB1 ALA 134 -20.215 -2.768 1.772 1030 2HB ALA 134 HB2 ALA 134 -20.189 -1.117 2.393 1031 3HB ALA 134 HB3 ALA 134 -21.029 -1.479 0.885 Start of MODEL 8 1 HT1 PRO 1 HT2 PRO 1 5.320 9.208 -1.150 2 HT2 PRO 1 HT1 PRO 1 5.190 10.739 -0.423 3 HA PRO 1 HA PRO 1 6.892 8.634 0.278 4 1HB PRO 1 HB2 PRO 1 8.824 10.755 0.086 5 2HB PRO 1 HB1 PRO 1 8.876 9.173 -0.695 6 1HG PRO 1 HG2 PRO 1 8.348 11.731 -1.925 7 2HG PRO 1 HG1 PRO 1 8.444 10.144 -2.703 8 1HD PRO 1 HD2 PRO 1 6.078 11.708 -2.189 9 2HD PRO 1 HD1 PRO 1 6.182 10.122 -2.961 10 H VAL 2 HN VAL 2 7.471 8.947 2.451 11 HA VAL 2 HA VAL 2 6.804 11.553 3.731 12 HB VAL 2 HB VAL 2 4.816 9.986 3.894 13 1HG1 VAL 2 HG11 VAL 2 6.470 7.963 4.185 14 2HG1 VAL 2 HG12 VAL 2 4.939 7.953 5.055 15 3HG1 VAL 2 HG13 VAL 2 6.427 8.403 5.890 16 1HG2 VAL 2 HG21 VAL 2 4.760 10.199 6.504 17 2HG2 VAL 2 HG22 VAL 2 4.862 11.670 5.540 18 3HG2 VAL 2 HG23 VAL 2 6.307 11.019 6.310 19 H MET 3 HN MET 3 8.571 12.121 4.880 20 HA MET 3 HA MET 3 10.487 9.996 5.724 21 1HB MET 3 HB2 MET 3 10.861 12.983 5.808 22 2HB MET 3 HB1 MET 3 12.099 11.728 5.819 23 1HG MET 3 HG2 MET 3 11.183 11.001 3.536 24 2HG MET 3 HG1 MET 3 10.275 12.513 3.531 25 1HE MET 3 HE1 MET 3 13.883 11.150 4.399 26 2HE MET 3 HE2 MET 3 14.740 11.807 3.007 27 3HE MET 3 HE3 MET 3 13.388 10.705 2.759 28 H HIS 4 HN HIS 4 10.829 9.555 7.879 29 HA HIS 4 HA HIS 4 9.896 11.447 9.970 30 1HB HIS 4 HB2 HIS 4 8.685 9.559 11.127 31 2HB HIS 4 HB1 HIS 4 7.911 10.117 9.643 32 HD1 HIS 4 HD1 HIS 4 10.944 8.148 9.036 33 HD2 HIS 4 HD2 HIS 4 6.882 7.345 9.520 34 HE1 HIS 4 HE1 HIS 4 10.571 5.796 8.177 35 HA PRO 5 HA PRO 5 13.866 9.148 10.803 36 1HB PRO 5 HB2 PRO 5 14.927 11.598 11.934 37 2HB PRO 5 HB1 PRO 5 15.440 10.772 10.456 38 1HG PRO 5 HG2 PRO 5 13.986 13.249 10.640 39 2HG PRO 5 HG1 PRO 5 14.425 12.372 9.168 40 1HD PRO 5 HD2 PRO 5 11.798 12.606 10.408 41 2HD PRO 5 HD1 PRO 5 12.212 11.847 8.858 42 H HIS 6 HN HIS 6 14.616 8.495 12.902 43 HA HIS 6 HA HIS 6 12.745 8.284 14.956 44 1HB HIS 6 HB2 HIS 6 15.760 8.407 15.262 45 2HB HIS 6 HB1 HIS 6 14.636 7.739 16.445 46 HD1 HIS 6 HD1 HIS 6 16.892 6.457 14.189 47 HD2 HIS 6 HD2 HIS 6 12.802 5.796 14.647 48 HE1 HIS 6 HE1 HIS 6 16.398 4.233 13.083 49 H GLY 7 HN GLY 7 11.934 9.687 16.428 50 1HA GLY 7 HA2 GLY 7 11.632 11.658 17.658 51 2HA GLY 7 HA1 GLY 7 13.389 11.691 17.798 52 H ALA 8 HN ALA 8 10.755 12.517 15.526 53 HA ALA 8 HA ALA 8 11.861 15.111 15.058 54 1HB ALA 8 HB1 ALA 8 13.157 13.154 13.582 55 2HB ALA 8 HB2 ALA 8 13.104 14.859 13.145 56 3HB ALA 8 HB3 ALA 8 11.947 13.731 12.439 57 HA PRO 9 HA PRO 9 7.796 15.523 13.380 58 1HB PRO 9 HB2 PRO 9 8.126 17.348 11.289 59 2HB PRO 9 HB1 PRO 9 8.084 17.787 13.006 60 1HG PRO 9 HG2 PRO 9 10.378 17.842 11.184 61 2HG PRO 9 HG1 PRO 9 10.274 18.461 12.839 62 1HD PRO 9 HD2 PRO 9 11.477 15.954 11.902 63 2HD PRO 9 HD1 PRO 9 11.558 16.683 13.522 64 HA PRO 10 HA PRO 10 7.578 12.971 9.739 65 1HB PRO 10 HB2 PRO 10 4.976 13.605 8.845 66 2HB PRO 10 HB1 PRO 10 5.372 12.370 10.050 67 1HG PRO 10 HG2 PRO 10 4.159 15.033 10.467 68 2HG PRO 10 HG1 PRO 10 4.191 13.640 11.559 69 1HD PRO 10 HD2 PRO 10 5.793 16.005 11.773 70 2HD PRO 10 HD1 PRO 10 5.953 14.510 12.723 71 H ASN 11 HN ASN 11 9.079 14.112 8.321 72 HA ASN 11 HA ASN 11 8.124 16.546 6.960 73 1HB ASN 11 HB2 ASN 11 10.427 16.539 7.710 74 2HB ASN 11 HB1 ASN 11 10.750 15.050 6.829 75 1HD2 ASN 11 HD21 ASN 11 9.476 18.365 6.161 76 2HD2 ASN 11 HD22 ASN 11 10.251 18.515 4.658 77 H HIS 12 HN HIS 12 6.850 16.322 5.231 78 HA HIS 12 HA HIS 12 6.893 13.882 3.605 79 1HB HIS 12 HB2 HIS 12 5.405 16.476 3.097 80 2HB HIS 12 HB1 HIS 12 5.054 14.898 2.392 81 HD1 HIS 12 HD1 HIS 12 4.999 16.698 5.731 82 HD2 HIS 12 HD2 HIS 12 3.459 13.240 3.984 83 HE1 HIS 12 HE1 HIS 12 3.373 15.713 7.404 84 H ARG 13 HN ARG 13 7.648 13.781 1.422 85 HA ARG 13 HA ARG 13 9.747 15.752 0.812 86 1HB ARG 13 HB2 ARG 13 8.932 13.041 -0.086 87 2HB ARG 13 HB1 ARG 13 9.709 14.011 -1.324 88 1HG ARG 13 HG2 ARG 13 11.700 14.239 -0.042 89 2HG ARG 13 HG1 ARG 13 10.905 13.703 1.437 90 1HD ARG 13 HD2 ARG 13 10.939 11.453 0.801 91 2HD ARG 13 HD1 ARG 13 11.013 11.833 -0.920 92 HE ARG 13 HE ARG 13 13.405 12.818 0.106 93 1HH1 ARG 13 HH21 ARG 13 11.696 9.824 0.096 94 2HH1 ARG 13 HH22 ARG 13 13.129 8.854 0.157 95 1HH2 ARG 13 HH11 ARG 13 15.286 11.568 0.189 96 2HH2 ARG 13 HH12 ARG 13 15.161 9.840 0.212 97 HA PRO 14 HA PRO 14 7.671 18.377 -2.078 98 1HB PRO 14 HB2 PRO 14 9.364 17.574 -4.350 99 2HB PRO 14 HB1 PRO 14 9.271 19.135 -3.523 100 1HG PRO 14 HG2 PRO 14 11.351 17.175 -3.267 101 2HG PRO 14 HG1 PRO 14 11.183 18.674 -2.342 102 1HD PRO 14 HD2 PRO 14 10.842 15.993 -1.364 103 2HD PRO 14 HD1 PRO 14 10.571 17.501 -0.473 104 H TRP 15 HN TRP 15 5.651 17.616 -2.735 105 HA TRP 15 HA TRP 15 5.472 15.919 -5.069 106 1HB TRP 15 HB2 TRP 15 4.730 13.863 -4.195 107 2HB TRP 15 HB1 TRP 15 6.101 14.296 -3.183 108 HD1 TRP 15 HD1 TRP 15 4.747 16.348 -1.242 109 HE1 TRP 15 HE1 TRP 15 3.019 15.540 0.493 110 HE3 TRP 15 HE3 TRP 15 3.316 11.950 -3.405 111 HZ2 TRP 15 HZ2 TRP 15 1.259 13.321 0.906 112 HZ3 TRP 15 HZ3 TRP 15 1.614 10.511 -2.324 113 HH2 TRP 15 HH2 TRP 15 0.584 11.190 -0.173 114 H GLN 16 HN GLN 16 4.083 18.376 -3.594 115 HA GLN 16 HA GLN 16 1.735 19.098 -3.308 116 1HB GLN 16 HB2 GLN 16 0.579 18.516 -5.631 117 2HB GLN 16 HB1 GLN 16 1.837 19.739 -5.523 118 1HG GLN 16 HG2 GLN 16 3.525 18.045 -6.206 119 2HG GLN 16 HG1 GLN 16 2.232 16.855 -6.370 120 1HE2 GLN 16 HE21 GLN 16 1.170 20.001 -7.200 121 2HE2 GLN 16 HE22 GLN 16 1.296 19.846 -8.886 122 H MET 17 HN MET 17 0.874 17.794 -1.627 123 HA MET 17 HA MET 17 0.227 15.120 -1.804 124 1HB MET 17 HB2 MET 17 -1.449 17.173 -0.323 125 2HB MET 17 HB1 MET 17 -1.299 15.460 0.066 126 1HG MET 17 HG2 MET 17 1.108 15.773 0.520 127 2HG MET 17 HG1 MET 17 0.956 17.488 0.139 128 1HE MET 17 HE1 MET 17 -0.695 19.148 2.981 129 2HE MET 17 HE2 MET 17 -1.170 18.883 1.306 130 3HE MET 17 HE3 MET 17 0.517 19.213 1.694 131 H LYS 18 HN LYS 18 -1.002 17.256 -3.983 132 HA LYS 18 HA LYS 18 -3.785 16.665 -4.054 133 1HB LYS 18 HB2 LYS 18 -3.739 17.316 -6.376 134 2HB LYS 18 HB1 LYS 18 -2.581 18.343 -5.533 135 1HG LYS 18 HG2 LYS 18 -0.779 16.688 -6.213 136 2HG LYS 18 HG1 LYS 18 -1.983 15.920 -7.250 137 1HD LYS 18 HD2 LYS 18 -2.379 18.233 -8.266 138 2HD LYS 18 HD1 LYS 18 -0.909 18.741 -7.433 139 1HE LYS 18 HE2 LYS 18 0.260 16.777 -8.556 140 2HE LYS 18 HE1 LYS 18 -1.184 16.598 -9.552 141 1HZ LYS 18 HZ1 LYS 18 -0.468 18.227 -10.842 142 2HZ LYS 18 HZ2 LYS 18 0.941 18.373 -9.903 143 3HZ LYS 18 HZ3 LYS 18 -0.434 19.299 -9.528 144 H ASP 19 HN ASP 19 -1.133 14.681 -4.247 145 HA ASP 19 HA ASP 19 -1.694 12.668 -6.132 146 1HB ASP 19 HB2 ASP 19 0.393 12.834 -4.931 147 2HB ASP 19 HB1 ASP 19 -0.416 12.467 -3.408 148 H LEU 20 HN LEU 20 -1.953 11.933 -2.666 149 HA LEU 20 HA LEU 20 -3.861 9.912 -3.052 150 1HB LEU 20 HB2 LEU 20 -3.827 9.571 -0.757 151 2HB LEU 20 HB1 LEU 20 -2.297 10.402 -1.010 152 HG LEU 20 HG LEU 20 -4.847 11.821 -0.142 153 1HD1 LEU 20 HD11 LEU 20 -3.704 11.888 2.084 154 2HD1 LEU 20 HD12 LEU 20 -2.516 10.746 1.456 155 3HD1 LEU 20 HD13 LEU 20 -4.209 10.271 1.593 156 1HD2 LEU 20 HD21 LEU 20 -2.964 13.105 -1.314 157 2HD2 LEU 20 HD22 LEU 20 -1.958 12.701 0.069 158 3HD2 LEU 20 HD23 LEU 20 -3.406 13.684 0.287 159 H GLN 21 HN GLN 21 -4.282 13.365 -2.467 160 HA GLN 21 HA GLN 21 -6.941 13.522 -1.701 161 1HB GLN 21 HB2 GLN 21 -5.537 15.192 -3.794 162 2HB GLN 21 HB1 GLN 21 -7.069 15.622 -3.039 163 1HG GLN 21 HG2 GLN 21 -4.580 15.044 -1.422 164 2HG GLN 21 HG1 GLN 21 -4.983 16.665 -1.989 165 1HE2 GLN 21 HE21 GLN 21 -5.066 15.164 0.804 166 2HE2 GLN 21 HE22 GLN 21 -6.574 15.638 1.425 167 H ALA 22 HN ALA 22 -5.874 13.476 -5.118 168 HA ALA 22 HA ALA 22 -8.374 13.200 -6.342 169 1HB ALA 22 HB1 ALA 22 -7.062 11.801 -8.088 170 2HB ALA 22 HB2 ALA 22 -5.656 12.085 -7.058 171 3HB ALA 22 HB3 ALA 22 -6.508 13.448 -7.785 172 H ILE 23 HN ILE 23 -6.448 10.786 -4.648 173 HA ILE 23 HA ILE 23 -8.372 8.620 -5.340 174 HB ILE 23 HB ILE 23 -5.700 8.831 -4.016 175 1HG1 ILE 23 HG12 ILE 23 -5.179 6.936 -5.492 176 2HG1 ILE 23 HG11 ILE 23 -6.868 6.850 -5.982 177 1HG2 ILE 23 HG21 ILE 23 -6.590 7.573 -2.271 178 2HG2 ILE 23 HG22 ILE 23 -6.043 6.312 -3.373 179 3HG2 ILE 23 HG23 ILE 23 -7.745 6.758 -3.316 180 1HD1 ILE 23 HD11 ILE 23 -5.381 8.120 -7.586 181 2HD1 ILE 23 HD12 ILE 23 -5.166 9.331 -6.322 182 3HD1 ILE 23 HD13 ILE 23 -6.768 9.035 -6.996 183 H LYS 24 HN LYS 24 -7.899 11.080 -3.003 184 HA LYS 24 HA LYS 24 -9.541 9.752 -0.915 185 1HB LYS 24 HB2 LYS 24 -7.467 11.512 -0.620 186 2HB LYS 24 HB1 LYS 24 -8.819 12.635 -0.756 187 1HG LYS 24 HG2 LYS 24 -9.988 11.208 1.026 188 2HG LYS 24 HG1 LYS 24 -8.416 10.455 1.299 189 1HD LYS 24 HD2 LYS 24 -8.943 13.439 1.446 190 2HD LYS 24 HD1 LYS 24 -8.847 12.369 2.844 191 1HE LYS 24 HE2 LYS 24 -6.530 11.689 1.947 192 2HE LYS 24 HE1 LYS 24 -6.654 13.105 0.903 193 1HZ LYS 24 HZ1 LYS 24 -7.371 13.716 3.590 194 2HZ LYS 24 HZ2 LYS 24 -6.199 14.441 2.596 195 3HZ LYS 24 HZ3 LYS 24 -5.807 13.064 3.511 196 H GLN 25 HN GLN 25 -10.142 11.005 -3.843 197 HA GLN 25 HA GLN 25 -12.609 12.356 -2.903 198 1HB GLN 25 HB2 GLN 25 -11.034 12.346 -5.441 199 2HB GLN 25 HB1 GLN 25 -12.782 12.414 -5.650 200 1HG GLN 25 HG2 GLN 25 -12.851 14.358 -4.076 201 2HG GLN 25 HG1 GLN 25 -11.088 14.328 -4.013 202 1HE2 GLN 25 HE21 GLN 25 -11.995 16.673 -4.966 203 2HE2 GLN 25 HE22 GLN 25 -11.891 16.767 -6.658 204 H GLU 26 HN GLU 26 -11.573 10.045 -5.383 205 HA GLU 26 HA GLU 26 -13.928 8.655 -5.900 206 1HB GLU 26 HB2 GLU 26 -11.097 7.598 -5.732 207 2HB GLU 26 HB1 GLU 26 -12.444 6.654 -6.372 208 1HG GLU 26 HG2 GLU 26 -12.892 8.529 -7.994 209 2HG GLU 26 HG1 GLU 26 -11.407 9.298 -7.433 210 H VAL 27 HN VAL 27 -12.138 8.610 -2.879 211 HA VAL 27 HA VAL 27 -13.775 6.255 -1.925 212 HB VAL 27 HB VAL 27 -11.228 6.359 -1.410 213 1HG1 VAL 27 HG11 VAL 27 -12.052 8.388 0.663 214 2HG1 VAL 27 HG12 VAL 27 -11.520 8.911 -0.930 215 3HG1 VAL 27 HG13 VAL 27 -10.435 7.964 0.100 216 1HG2 VAL 27 HG21 VAL 27 -13.057 5.089 -0.087 217 2HG2 VAL 27 HG22 VAL 27 -12.986 6.426 1.055 218 3HG2 VAL 27 HG23 VAL 27 -11.555 5.439 0.764 219 H SER 28 HN SER 28 -13.347 9.746 -1.730 220 HA SER 28 HA SER 28 -15.344 9.842 0.431 221 1HB SER 28 HB2 SER 28 -14.186 12.116 -1.220 222 2HB SER 28 HB1 SER 28 -15.127 12.279 0.257 223 HG SER 28 HG SER 28 -12.751 10.752 0.146 224 H GLN 29 HN GLN 29 -15.631 8.653 -2.294 225 HA GLN 29 HA GLN 29 -17.745 10.333 -3.583 226 1HB GLN 29 HB2 GLN 29 -15.725 9.785 -4.912 227 2HB GLN 29 HB1 GLN 29 -16.150 8.079 -4.783 228 1HG GLN 29 HG2 GLN 29 -18.299 8.493 -5.870 229 2HG GLN 29 HG1 GLN 29 -17.959 10.223 -5.931 230 1HE2 GLN 29 HE21 GLN 29 -16.415 10.984 -7.519 231 2HE2 GLN 29 HE22 GLN 29 -15.820 9.977 -8.749 232 H ALA 30 HN ALA 30 -16.696 7.057 -2.661 233 HA ALA 30 HA ALA 30 -19.440 5.933 -3.065 234 1HB ALA 30 HB1 ALA 30 -18.418 3.792 -3.045 235 2HB ALA 30 HB2 ALA 30 -16.957 4.404 -2.269 236 3HB ALA 30 HB3 ALA 30 -17.299 4.807 -3.954 237 H ALA 31 HN ALA 31 -18.654 3.820 -1.160 238 HA ALA 31 HA ALA 31 -19.786 5.031 1.265 239 1HB ALA 31 HB1 ALA 31 -19.819 2.484 0.082 240 2HB ALA 31 HB2 ALA 31 -20.448 2.868 1.679 241 3HB ALA 31 HB3 ALA 31 -18.799 2.257 1.499 242 HA PRO 32 HA PRO 32 -15.995 5.603 3.450 243 1HB PRO 32 HB2 PRO 32 -16.274 3.774 5.674 244 2HB PRO 32 HB1 PRO 32 -16.620 5.507 5.652 245 1HG PRO 32 HG2 PRO 32 -18.526 3.334 5.753 246 2HG PRO 32 HG1 PRO 32 -18.867 5.071 5.726 247 1HD PRO 32 HD2 PRO 32 -19.215 3.147 3.586 248 2HD PRO 32 HD1 PRO 32 -19.640 4.869 3.576 249 H GLY 33 HN GLY 33 -15.800 3.769 1.361 250 1HA GLY 33 HA2 GLY 33 -13.376 2.630 1.340 251 2HA GLY 33 HA1 GLY 33 -14.249 1.439 2.317 252 H SER 34 HN SER 34 -15.491 -0.027 1.282 253 HA SER 34 HA SER 34 -16.532 -1.209 -0.391 254 1HB SER 34 HB2 SER 34 -18.164 0.082 -1.253 255 2HB SER 34 HB1 SER 34 -17.311 1.487 -0.636 256 HG SER 34 HG SER 34 -16.578 0.267 -3.077 257 HA PRO 35 HA PRO 35 -13.619 -2.120 -3.518 258 1HB PRO 35 HB2 PRO 35 -15.336 -2.321 -5.844 259 2HB PRO 35 HB1 PRO 35 -14.738 -3.639 -4.824 260 1HG PRO 35 HG2 PRO 35 -17.430 -2.547 -4.930 261 2HG PRO 35 HG1 PRO 35 -16.847 -3.915 -3.971 262 1HD PRO 35 HD2 PRO 35 -17.538 -1.276 -3.022 263 2HD PRO 35 HD1 PRO 35 -16.921 -2.644 -2.075 264 H GLN 36 HN GLN 36 -15.933 0.381 -4.283 265 HA GLN 36 HA GLN 36 -14.924 1.599 -6.592 266 1HB GLN 36 HB2 GLN 36 -16.058 2.810 -4.068 267 2HB GLN 36 HB1 GLN 36 -15.659 3.791 -5.480 268 1HG GLN 36 HG2 GLN 36 -17.474 1.370 -5.602 269 2HG GLN 36 HG1 GLN 36 -18.072 3.014 -5.374 270 1HE2 GLN 36 HE21 GLN 36 -17.807 0.820 -7.763 271 2HE2 GLN 36 HE22 GLN 36 -17.479 1.830 -9.087 272 H PHE 37 HN PHE 37 -13.755 1.938 -3.278 273 HA PHE 37 HA PHE 37 -11.498 3.721 -3.982 274 1HB PHE 37 HB2 PHE 37 -11.801 4.113 -1.763 275 2HB PHE 37 HB1 PHE 37 -12.842 2.711 -1.595 276 HD1 PHE 37 HD1 PHE 37 -9.716 4.137 -0.708 277 HD2 PHE 37 HD2 PHE 37 -11.644 0.381 -1.499 278 HE1 PHE 37 HE1 PHE 37 -7.984 2.969 0.609 279 HE2 PHE 37 HE2 PHE 37 -9.897 -0.789 -0.184 280 HZ PHE 37 HZ PHE 37 -8.070 0.513 0.877 281 H MET 38 HN MET 38 -12.087 0.584 -4.659 282 HA MET 38 HA MET 38 -9.213 -0.216 -4.457 283 1HB MET 38 HB2 MET 38 -9.983 -2.355 -4.668 284 2HB MET 38 HB1 MET 38 -11.564 -1.688 -4.375 285 1HG MET 38 HG2 MET 38 -11.873 -1.453 -6.850 286 2HG MET 38 HG1 MET 38 -10.308 -2.230 -7.079 287 1HE MET 38 HE1 MET 38 -11.589 -3.669 -8.645 288 2HE MET 38 HE2 MET 38 -13.270 -3.343 -8.233 289 3HE MET 38 HE3 MET 38 -12.670 -4.999 -8.207 290 H GLN 39 HN GLN 39 -11.652 0.528 -6.889 291 HA GLN 39 HA GLN 39 -10.093 0.189 -9.198 292 1HB GLN 39 HB2 GLN 39 -12.544 0.762 -9.070 293 2HB GLN 39 HB1 GLN 39 -12.071 2.436 -8.773 294 1HG GLN 39 HG2 GLN 39 -10.878 2.523 -10.895 295 2HG GLN 39 HG1 GLN 39 -11.206 0.814 -11.182 296 1HE2 GLN 39 HE21 GLN 39 -12.104 2.702 -13.076 297 2HE2 GLN 39 HE22 GLN 39 -13.796 2.807 -13.008 298 H THR 40 HN THR 40 -10.398 3.021 -7.065 299 HA THR 40 HA THR 40 -8.435 4.647 -8.582 300 HB THR 40 HB THR 40 -10.496 5.373 -7.096 301 HG1 THR 40 HG1 THR 40 -8.726 7.112 -6.309 302 1HG2 THR 40 HG21 THR 40 -8.358 5.364 -4.989 303 2HG2 THR 40 HG22 THR 40 -9.536 4.072 -5.132 304 3HG2 THR 40 HG23 THR 40 -10.073 5.718 -4.784 305 H ILE 41 HN ILE 41 -8.283 2.574 -5.765 306 HA ILE 41 HA ILE 41 -5.495 3.455 -5.282 307 HB ILE 41 HB ILE 41 -7.001 1.046 -4.226 308 1HG1 ILE 41 HG12 ILE 41 -7.732 3.531 -3.677 309 2HG1 ILE 41 HG11 ILE 41 -7.654 2.328 -2.393 310 1HG2 ILE 41 HG21 ILE 41 -4.300 2.227 -3.587 311 2HG2 ILE 41 HG22 ILE 41 -4.687 0.567 -4.041 312 3HG2 ILE 41 HG23 ILE 41 -5.152 1.179 -2.454 313 1HD1 ILE 41 HD11 ILE 41 -6.540 4.588 -1.889 314 2HD1 ILE 41 HD12 ILE 41 -5.301 4.118 -3.054 315 3HD1 ILE 41 HD13 ILE 41 -5.555 3.153 -1.602 316 H ARG 42 HN ARG 42 -7.132 1.406 -7.396 317 HA ARG 42 HA ARG 42 -5.092 -0.592 -7.804 318 1HB ARG 42 HB2 ARG 42 -7.475 -0.844 -8.509 319 2HB ARG 42 HB1 ARG 42 -7.185 0.372 -9.753 320 1HG ARG 42 HG2 ARG 42 -5.479 -1.029 -10.783 321 2HG ARG 42 HG1 ARG 42 -5.631 -2.219 -9.492 322 1HD ARG 42 HD2 ARG 42 -8.251 -2.002 -10.387 323 2HD ARG 42 HD1 ARG 42 -7.336 -1.822 -11.880 324 HE ARG 42 HE ARG 42 -7.825 -4.273 -10.606 325 1HH1 ARG 42 HH21 ARG 42 -5.072 -2.456 -11.634 326 2HH1 ARG 42 HH22 ARG 42 -4.043 -3.841 -11.738 327 1HH2 ARG 42 HH11 ARG 42 -6.496 -6.076 -10.755 328 2HH2 ARG 42 HH12 ARG 42 -4.846 -5.886 -11.249 329 H LEU 43 HN LEU 43 -6.020 2.309 -9.735 330 HA LEU 43 HA LEU 43 -3.545 1.971 -11.312 331 1HB LEU 43 HB2 LEU 43 -4.466 3.421 -12.884 332 2HB LEU 43 HB1 LEU 43 -5.895 2.648 -12.215 333 HG LEU 43 HG LEU 43 -4.830 5.394 -11.456 334 1HD1 LEU 43 HD11 LEU 43 -7.312 4.501 -12.945 335 2HD1 LEU 43 HD12 LEU 43 -5.920 5.322 -13.649 336 3HD1 LEU 43 HD13 LEU 43 -6.942 6.162 -12.484 337 1HD2 LEU 43 HD21 LEU 43 -7.295 3.889 -10.523 338 2HD2 LEU 43 HD22 LEU 43 -6.888 5.550 -10.098 339 3HD2 LEU 43 HD23 LEU 43 -5.873 4.224 -9.542 340 H ALA 44 HN ALA 44 -4.277 3.561 -8.426 341 HA ALA 44 HA ALA 44 -2.325 5.778 -8.965 342 1HB ALA 44 HB1 ALA 44 -3.072 6.761 -6.967 343 2HB ALA 44 HB2 ALA 44 -3.529 5.210 -6.260 344 3HB ALA 44 HB3 ALA 44 -4.537 5.942 -7.508 345 H VAL 45 HN VAL 45 -2.531 2.884 -6.890 346 HA VAL 45 HA VAL 45 0.221 3.320 -6.007 347 HB VAL 45 HB VAL 45 -1.611 0.912 -5.749 348 1HG1 VAL 45 HG11 VAL 45 0.045 0.310 -3.915 349 2HG1 VAL 45 HG12 VAL 45 1.108 1.550 -4.579 350 3HG1 VAL 45 HG13 VAL 45 0.660 0.155 -5.561 351 1HG2 VAL 45 HG21 VAL 45 -2.313 3.043 -4.585 352 2HG2 VAL 45 HG22 VAL 45 -0.799 2.978 -3.682 353 3HG2 VAL 45 HG23 VAL 45 -1.995 1.695 -3.492 354 H GLN 46 HN GLN 46 -1.429 1.654 -8.611 355 HA GLN 46 HA GLN 46 0.900 0.001 -9.282 356 1HB GLN 46 HB2 GLN 46 -1.491 -0.683 -9.701 357 2HB GLN 46 HB1 GLN 46 -1.576 0.573 -10.934 358 1HG GLN 46 HG2 GLN 46 -1.053 -1.518 -12.031 359 2HG GLN 46 HG1 GLN 46 0.390 -0.510 -12.071 360 1HE2 GLN 46 HE21 GLN 46 2.272 -1.499 -11.316 361 2HE2 GLN 46 HE22 GLN 46 2.314 -2.869 -10.315 362 H GLN 47 HN GLN 47 -0.288 3.192 -10.099 363 HA GLN 47 HA GLN 47 1.279 3.321 -12.564 364 1HB GLN 47 HB2 GLN 47 -0.401 5.311 -11.063 365 2HB GLN 47 HB1 GLN 47 0.586 5.800 -12.437 366 1HG GLN 47 HG2 GLN 47 -1.323 3.464 -12.636 367 2HG GLN 47 HG1 GLN 47 -1.858 5.119 -12.933 368 1HE2 GLN 47 HE21 GLN 47 -0.719 6.315 -14.724 369 2HE2 GLN 47 HE22 GLN 47 -0.024 5.432 -15.996 370 H PHE 48 HN PHE 48 1.292 5.391 -9.648 371 HA PHE 48 HA PHE 48 4.075 6.175 -10.206 372 1HB PHE 48 HB2 PHE 48 2.347 6.963 -7.850 373 2HB PHE 48 HB1 PHE 48 3.776 7.798 -8.461 374 HD1 PHE 48 HD1 PHE 48 0.213 7.069 -9.045 375 HD2 PHE 48 HD2 PHE 48 3.690 9.120 -10.513 376 HE1 PHE 48 HE1 PHE 48 -1.214 8.382 -10.591 377 HE2 PHE 48 HE2 PHE 48 2.264 10.433 -12.059 378 HZ PHE 48 HZ PHE 48 -0.189 10.064 -12.098 379 H ASP 49 HN ASP 49 2.754 3.530 -8.706 380 HA ASP 49 HA ASP 49 3.401 2.318 -6.695 381 1HB ASP 49 HB2 ASP 49 5.831 1.495 -7.264 382 2HB ASP 49 HB1 ASP 49 4.498 1.090 -8.349 383 HA PRO 50 HA PRO 50 5.651 5.922 -4.694 384 1HB PRO 50 HB2 PRO 50 3.984 5.199 -2.374 385 2HB PRO 50 HB1 PRO 50 4.128 6.762 -3.192 386 1HG PRO 50 HG2 PRO 50 1.912 5.011 -3.364 387 2HG PRO 50 HG1 PRO 50 2.229 6.383 -4.436 388 1HD PRO 50 HD2 PRO 50 2.439 3.523 -5.031 389 2HD PRO 50 HD1 PRO 50 2.532 4.892 -6.159 390 H THR 51 HN THR 51 7.258 5.689 -3.016 391 HA THR 51 HA THR 51 8.345 3.025 -2.744 392 HB THR 51 HB THR 51 10.001 4.051 -1.267 393 HG1 THR 51 HG1 THR 51 9.640 6.415 -0.955 394 1HG2 THR 51 HG21 THR 51 10.671 5.989 -2.797 395 2HG2 THR 51 HG22 THR 51 9.193 5.651 -3.699 396 3HG2 THR 51 HG23 THR 51 10.450 4.420 -3.572 397 H ALA 52 HN ALA 52 8.822 2.139 -0.420 398 HA ALA 52 HA ALA 52 6.380 1.519 0.804 399 1HB ALA 52 HB1 ALA 52 9.190 1.465 1.918 400 2HB ALA 52 HB2 ALA 52 8.297 0.127 1.198 401 3HB ALA 52 HB3 ALA 52 7.806 0.773 2.764 402 H LYS 53 HN LYS 53 8.445 4.253 1.113 403 HA LYS 53 HA LYS 53 7.916 5.272 3.672 404 1HB LYS 53 HB2 LYS 53 8.109 6.830 1.084 405 2HB LYS 53 HB1 LYS 53 8.393 7.472 2.703 406 1HG LYS 53 HG2 LYS 53 10.199 5.716 2.974 407 2HG LYS 53 HG1 LYS 53 10.010 5.361 1.257 408 1HD LYS 53 HD2 LYS 53 10.633 7.621 0.656 409 2HD LYS 53 HD1 LYS 53 10.635 8.117 2.350 410 1HE LYS 53 HE2 LYS 53 12.934 7.678 1.514 411 2HE LYS 53 HE1 LYS 53 12.489 6.584 2.824 412 1HZ LYS 53 HZ1 LYS 53 12.418 4.815 1.450 413 2HZ LYS 53 HZ2 LYS 53 13.504 5.746 0.533 414 3HZ LYS 53 HZ3 LYS 53 11.856 5.707 0.122 415 H ASP 54 HN ASP 54 6.174 6.506 0.757 416 HA ASP 54 HA ASP 54 3.992 7.704 2.089 417 1HB ASP 54 HB2 ASP 54 4.689 7.291 -0.526 418 2HB ASP 54 HB1 ASP 54 3.361 6.148 -0.369 419 H LEU 55 HN LEU 55 4.156 4.294 0.953 420 HA LEU 55 HA LEU 55 1.697 3.399 1.775 421 1HB LEU 55 HB2 LEU 55 4.400 2.114 1.853 422 2HB LEU 55 HB1 LEU 55 3.082 1.269 2.653 423 HG LEU 55 HG LEU 55 1.758 1.421 0.539 424 1HD1 LEU 55 HD11 LEU 55 4.366 2.473 -0.601 425 2HD1 LEU 55 HD12 LEU 55 2.890 3.415 -0.395 426 3HD1 LEU 55 HD13 LEU 55 2.924 2.067 -1.531 427 1HD2 LEU 55 HD21 LEU 55 4.494 0.161 0.174 428 2HD2 LEU 55 HD22 LEU 55 3.001 -0.317 -0.634 429 3HD2 LEU 55 HD23 LEU 55 3.181 -0.562 1.103 430 H GLN 56 HN GLN 56 4.265 4.462 3.947 431 HA GLN 56 HA GLN 56 2.928 3.400 6.324 432 1HB GLN 56 HB2 GLN 56 5.235 5.292 5.886 433 2HB GLN 56 HB1 GLN 56 4.500 5.158 7.477 434 1HG GLN 56 HG2 GLN 56 6.386 3.617 7.323 435 2HG GLN 56 HG1 GLN 56 4.883 2.700 7.419 436 1HE2 GLN 56 HE21 GLN 56 3.934 2.095 5.152 437 2HE2 GLN 56 HE22 GLN 56 5.056 1.648 3.959 438 H ASP 57 HN ASP 57 3.090 6.482 4.602 439 HA ASP 57 HA ASP 57 1.193 7.760 6.497 440 1HB ASP 57 HB2 ASP 57 2.970 9.140 5.506 441 2HB ASP 57 HB1 ASP 57 2.397 8.741 3.889 442 H LEU 58 HN LEU 58 0.883 5.755 3.754 443 HA LEU 58 HA LEU 58 -1.782 6.919 3.073 444 1HB LEU 58 HB2 LEU 58 -0.367 4.491 1.919 445 2HB LEU 58 HB1 LEU 58 -1.838 5.228 1.292 446 HG LEU 58 HG LEU 58 0.805 6.691 1.534 447 1HD1 LEU 58 HD11 LEU 58 1.101 4.895 -0.056 448 2HD1 LEU 58 HD12 LEU 58 0.886 6.390 -0.967 449 3HD1 LEU 58 HD13 LEU 58 -0.450 5.249 -0.817 450 1HD2 LEU 58 HD21 LEU 58 -1.892 7.331 0.323 451 2HD2 LEU 58 HD22 LEU 58 -0.431 8.127 -0.256 452 3HD2 LEU 58 HD23 LEU 58 -0.921 8.306 1.425 453 H LEU 59 HN LEU 59 -0.301 4.439 4.932 454 HA LEU 59 HA LEU 59 -2.857 2.960 5.322 455 1HB LEU 59 HB2 LEU 59 -0.375 2.000 5.067 456 2HB LEU 59 HB1 LEU 59 -0.293 2.348 6.787 457 HG LEU 59 HG LEU 59 -2.492 0.685 5.512 458 1HD1 LEU 59 HD11 LEU 59 -0.260 -0.345 5.173 459 2HD1 LEU 59 HD12 LEU 59 -1.257 -1.283 6.286 460 3HD1 LEU 59 HD13 LEU 59 0.031 -0.253 6.910 461 1HD2 LEU 59 HD21 LEU 59 -1.730 1.437 8.327 462 2HD2 LEU 59 HD22 LEU 59 -2.411 -0.162 8.047 463 3HD2 LEU 59 HD23 LEU 59 -3.325 1.270 7.601 464 H GLN 60 HN GLN 60 -0.781 5.290 6.916 465 HA GLN 60 HA GLN 60 -2.238 4.961 9.474 466 1HB GLN 60 HB2 GLN 60 0.032 6.754 8.589 467 2HB GLN 60 HB1 GLN 60 -0.706 6.854 10.188 468 1HG GLN 60 HG2 GLN 60 -0.193 4.438 10.538 469 2HG GLN 60 HG1 GLN 60 0.637 4.418 8.982 470 1HE2 GLN 60 HE21 GLN 60 1.438 7.387 9.728 471 2HE2 GLN 60 HE22 GLN 60 2.796 7.160 10.721 472 H TYR 61 HN TYR 61 -2.424 7.023 6.643 473 HA TYR 61 HA TYR 61 -4.189 8.927 8.160 474 1HB TYR 61 HB2 TYR 61 -2.709 9.219 5.541 475 2HB TYR 61 HB1 TYR 61 -3.906 10.376 6.112 476 HD1 TYR 61 HD1 TYR 61 -3.196 12.162 7.457 477 HD2 TYR 61 HD2 TYR 61 -0.840 8.573 7.305 478 HE1 TYR 61 HE1 TYR 61 -1.475 13.230 8.888 479 HE2 TYR 61 HE2 TYR 61 0.881 9.642 8.734 480 HH TYR 61 HH TYR 61 0.357 12.343 10.530 481 H LEU 62 HN LEU 62 -4.039 6.941 5.191 482 HA LEU 62 HA LEU 62 -6.792 7.635 4.492 483 1HB LEU 62 HB2 LEU 62 -4.764 6.820 2.961 484 2HB LEU 62 HB1 LEU 62 -5.401 5.228 3.350 485 HG LEU 62 HG LEU 62 -7.715 6.250 2.643 486 1HD1 LEU 62 HD11 LEU 62 -7.062 8.577 2.418 487 2HD1 LEU 62 HD12 LEU 62 -7.413 7.957 0.809 488 3HD1 LEU 62 HD13 LEU 62 -5.742 8.149 1.331 489 1HD2 LEU 62 HD21 LEU 62 -5.604 5.765 0.517 490 2HD2 LEU 62 HD22 LEU 62 -7.344 5.535 0.348 491 3HD2 LEU 62 HD23 LEU 62 -6.415 4.481 1.412 492 H CYS 63 HN CYS 63 -5.227 5.063 6.295 493 HA CYS 63 HA CYS 63 -7.877 3.694 6.588 494 1HB CYS 63 HB2 CYS 63 -5.246 2.560 7.517 495 2HB CYS 63 HB1 CYS 63 -6.725 1.710 7.081 496 HG CYS 63 HG CYS 63 -5.614 1.466 4.871 497 H SER 64 HN SER 64 -6.736 2.391 9.077 498 HA SER 64 HA SER 64 -6.207 4.511 10.977 499 1HB SER 64 HB2 SER 64 -8.301 4.436 12.199 500 2HB SER 64 HB1 SER 64 -8.630 4.868 10.524 501 HG SER 64 HG SER 64 -9.092 2.623 10.173 502 H SER 65 HN SER 65 -6.525 3.564 13.303 503 HA SER 65 HA SER 65 -4.797 1.514 13.808 504 1HB SER 65 HB2 SER 65 -7.365 2.071 15.310 505 2HB SER 65 HB1 SER 65 -6.036 1.095 15.928 506 HG SER 65 HG SER 65 -5.976 3.833 15.170 507 H LEU 66 HN LEU 66 -8.291 0.708 14.142 508 HA LEU 66 HA LEU 66 -7.984 -2.044 14.011 509 1HB LEU 66 HB2 LEU 66 -10.089 -0.519 14.398 510 2HB LEU 66 HB1 LEU 66 -10.343 -0.731 12.669 511 HG LEU 66 HG LEU 66 -10.076 -2.962 14.711 512 1HD1 LEU 66 HD11 LEU 66 -12.437 -3.324 14.352 513 2HD1 LEU 66 HD12 LEU 66 -12.478 -2.117 13.066 514 3HD1 LEU 66 HD13 LEU 66 -12.215 -1.617 14.737 515 1HD2 LEU 66 HD21 LEU 66 -10.929 -4.299 12.644 516 2HD2 LEU 66 HD22 LEU 66 -9.226 -3.851 12.692 517 3HD2 LEU 66 HD23 LEU 66 -10.353 -2.924 11.701 518 H VAL 67 HN VAL 67 -9.306 -0.279 11.204 519 HA VAL 67 HA VAL 67 -9.185 -2.123 9.302 520 HB VAL 67 HB VAL 67 -8.086 0.661 8.832 521 1HG1 VAL 67 HG11 VAL 67 -7.701 -0.745 6.900 522 2HG1 VAL 67 HG12 VAL 67 -9.082 0.295 6.549 523 3HG1 VAL 67 HG13 VAL 67 -9.339 -1.393 6.991 524 1HG2 VAL 67 HG21 VAL 67 -10.484 1.156 8.262 525 2HG2 VAL 67 HG22 VAL 67 -10.235 0.764 9.964 526 3HG2 VAL 67 HG23 VAL 67 -10.910 -0.444 8.870 527 H ALA 68 HN ALA 68 -6.306 -0.163 10.173 528 HA ALA 68 HA ALA 68 -4.373 -1.335 8.494 529 1HB ALA 68 HB1 ALA 68 -4.150 -0.234 11.299 530 2HB ALA 68 HB2 ALA 68 -3.845 0.625 9.791 531 3HB ALA 68 HB3 ALA 68 -2.761 -0.668 10.305 532 H SER 69 HN SER 69 -5.562 -2.360 11.662 533 HA SER 69 HA SER 69 -3.786 -4.396 12.327 534 1HB SER 69 HB2 SER 69 -5.494 -5.284 13.690 535 2HB SER 69 HB1 SER 69 -5.840 -3.561 13.590 536 HG SER 69 HG SER 69 -7.473 -3.965 12.201 537 H LEU 70 HN LEU 70 -6.889 -5.000 10.632 538 HA LEU 70 HA LEU 70 -5.825 -7.571 9.655 539 1HB LEU 70 HB2 LEU 70 -8.544 -6.251 9.551 540 2HB LEU 70 HB1 LEU 70 -8.192 -7.631 8.515 541 HG LEU 70 HG LEU 70 -7.508 -8.912 10.578 542 1HD1 LEU 70 HD11 LEU 70 -8.637 -6.426 11.888 543 2HD1 LEU 70 HD12 LEU 70 -7.022 -7.105 12.095 544 3HD1 LEU 70 HD13 LEU 70 -8.426 -7.957 12.737 545 1HD2 LEU 70 HD21 LEU 70 -9.847 -9.281 11.326 546 2HD2 LEU 70 HD22 LEU 70 -9.736 -9.188 9.568 547 3HD2 LEU 70 HD23 LEU 70 -10.335 -7.808 10.489 548 H HIS 71 HN HIS 71 -6.226 -4.412 8.276 549 HA HIS 71 HA HIS 71 -6.413 -5.074 5.689 550 1HB HIS 71 HB2 HIS 71 -6.289 -2.756 6.317 551 2HB HIS 71 HB1 HIS 71 -4.685 -2.971 6.983 552 HD1 HIS 71 HD1 HIS 71 -4.695 -4.749 3.894 553 HD2 HIS 71 HD2 HIS 71 -4.314 -0.736 4.950 554 HE1 HIS 71 HE1 HIS 71 -3.562 -3.597 1.943 555 H HIS 72 HN HIS 72 -3.351 -4.376 7.345 556 HA HIS 72 HA HIS 72 -1.590 -5.478 5.424 557 1HB HIS 72 HB2 HIS 72 -0.762 -3.863 7.062 558 2HB HIS 72 HB1 HIS 72 -1.185 -4.942 8.395 559 HD1 HIS 72 HD1 HIS 72 0.891 -5.299 5.194 560 HD2 HIS 72 HD2 HIS 72 1.065 -6.278 9.242 561 HE1 HIS 72 HE1 HIS 72 3.092 -6.501 5.546 562 H GLN 73 HN GLN 73 -2.985 -6.833 8.418 563 HA GLN 73 HA GLN 73 -1.717 -9.244 8.745 564 1HB GLN 73 HB2 GLN 73 -3.859 -8.483 9.864 565 2HB GLN 73 HB1 GLN 73 -4.723 -9.152 8.473 566 1HG GLN 73 HG2 GLN 73 -2.792 -10.739 10.179 567 2HG GLN 73 HG1 GLN 73 -4.532 -10.697 10.459 568 1HE2 GLN 73 HE21 GLN 73 -5.935 -11.475 8.608 569 2HE2 GLN 73 HE22 GLN 73 -5.309 -12.640 7.543 570 H GLN 74 HN GLN 74 -4.123 -8.548 6.182 571 HA GLN 74 HA GLN 74 -4.105 -10.985 4.896 572 1HB GLN 74 HB2 GLN 74 -4.094 -8.216 3.653 573 2HB GLN 74 HB1 GLN 74 -4.472 -9.687 2.759 574 1HG GLN 74 HG2 GLN 74 -5.926 -8.851 5.282 575 2HG GLN 74 HG1 GLN 74 -6.497 -8.467 3.658 576 1HE2 GLN 74 HE21 GLN 74 -7.572 -10.385 5.840 577 2HE2 GLN 74 HE22 GLN 74 -7.782 -11.854 5.016 578 H LEU 75 HN LEU 75 -2.266 -8.112 3.628 579 HA LEU 75 HA LEU 75 -0.050 -9.248 2.292 580 1HB LEU 75 HB2 LEU 75 -0.815 -6.760 2.875 581 2HB LEU 75 HB1 LEU 75 0.350 -6.970 4.176 582 HG LEU 75 HG LEU 75 1.490 -5.996 2.260 583 1HD1 LEU 75 HD11 LEU 75 2.256 -8.919 2.281 584 2HD1 LEU 75 HD12 LEU 75 2.573 -7.856 3.651 585 3HD1 LEU 75 HD13 LEU 75 3.305 -7.518 2.083 586 1HD2 LEU 75 HD21 LEU 75 -0.291 -7.242 0.651 587 2HD2 LEU 75 HD22 LEU 75 1.056 -8.368 0.486 588 3HD2 LEU 75 HD23 LEU 75 1.271 -6.670 0.076 589 H ASP 76 HN ASP 76 0.202 -8.253 5.698 590 HA ASP 76 HA ASP 76 2.480 -9.042 6.708 591 1HB ASP 76 HB2 ASP 76 0.424 -8.730 8.021 592 2HB ASP 76 HB1 ASP 76 0.025 -10.420 7.737 593 H SER 77 HN SER 77 0.089 -11.632 6.431 594 HA SER 77 HA SER 77 2.075 -13.750 6.321 595 1HB SER 77 HB2 SER 77 -0.944 -13.681 6.132 596 2HB SER 77 HB1 SER 77 0.008 -15.171 6.074 597 HG SER 77 HG SER 77 0.083 -15.064 8.166 598 H LEU 78 HN LEU 78 0.026 -12.041 3.975 599 HA LEU 78 HA LEU 78 -0.012 -13.918 1.946 600 1HB LEU 78 HB2 LEU 78 -0.771 -11.323 2.149 601 2HB LEU 78 HB1 LEU 78 0.601 -11.120 1.066 602 HG LEU 78 HG LEU 78 -1.604 -13.128 0.615 603 1HD1 LEU 78 HD11 LEU 78 -2.631 -11.524 -0.916 604 2HD1 LEU 78 HD12 LEU 78 -1.343 -10.358 -0.615 605 3HD1 LEU 78 HD13 LEU 78 -2.481 -10.765 0.670 606 1HD2 LEU 78 HD21 LEU 78 -0.738 -12.922 -1.759 607 2HD2 LEU 78 HD22 LEU 78 0.404 -13.638 -0.621 608 3HD2 LEU 78 HD23 LEU 78 0.590 -11.956 -1.117 609 H ILE 79 HN ILE 79 2.529 -11.375 2.499 610 HA ILE 79 HA ILE 79 4.458 -12.256 0.668 611 HB ILE 79 HB ILE 79 4.326 -10.775 3.268 612 1HG1 ILE 79 HG12 ILE 79 4.181 -9.584 1.128 613 2HG1 ILE 79 HG11 ILE 79 5.633 -9.104 1.997 614 1HG2 ILE 79 HG21 ILE 79 6.863 -12.091 2.282 615 2HG2 ILE 79 HG22 ILE 79 6.175 -12.107 3.907 616 3HG2 ILE 79 HG23 ILE 79 6.891 -10.628 3.269 617 1HD1 ILE 79 HD11 ILE 79 5.358 -10.485 -0.588 618 2HD1 ILE 79 HD12 ILE 79 6.560 -11.220 0.469 619 3HD1 ILE 79 HD13 ILE 79 6.695 -9.519 0.028 620 H SER 80 HN SER 80 4.140 -13.169 4.143 621 HA SER 80 HA SER 80 6.077 -15.146 4.233 622 1HB SER 80 HB2 SER 80 3.319 -15.561 5.406 623 2HB SER 80 HB1 SER 80 4.848 -16.200 6.005 624 HG SER 80 HG SER 80 3.994 -14.257 7.074 625 H GLU 81 HN GLU 81 2.714 -15.591 3.021 626 HA GLU 81 HA GLU 81 3.300 -18.341 2.251 627 1HB GLU 81 HB2 GLU 81 1.037 -17.560 2.942 628 2HB GLU 81 HB1 GLU 81 0.963 -16.578 1.479 629 1HG GLU 81 HG2 GLU 81 1.136 -18.554 0.078 630 2HG GLU 81 HG1 GLU 81 1.391 -19.579 1.491 631 H ALA 82 HN ALA 82 3.534 -15.197 0.623 632 HA ALA 82 HA ALA 82 3.263 -16.369 -1.936 633 1HB ALA 82 HB1 ALA 82 2.871 -14.005 -1.760 634 2HB ALA 82 HB2 ALA 82 4.260 -14.206 -2.834 635 3HB ALA 82 HB3 ALA 82 4.504 -13.720 -1.157 636 H GLU 83 HN GLU 83 5.976 -15.834 0.221 637 HA GLU 83 HA GLU 83 7.999 -16.342 -1.829 638 1HB GLU 83 HB2 GLU 83 9.599 -16.249 0.074 639 2HB GLU 83 HB1 GLU 83 8.528 -14.848 0.061 640 1HG GLU 83 HG2 GLU 83 7.046 -16.041 1.700 641 2HG GLU 83 HG1 GLU 83 8.259 -17.318 1.796 642 H THR 84 HN THR 84 6.232 -18.134 0.630 643 HA THR 84 HA THR 84 7.899 -20.443 0.730 644 HB THR 84 HB THR 84 4.980 -20.984 0.845 645 HG1 THR 84 HG1 THR 84 6.160 -18.837 2.222 646 1HG2 THR 84 HG21 THR 84 6.923 -21.026 3.146 647 2HG2 THR 84 HG22 THR 84 6.994 -22.269 1.896 648 3HG2 THR 84 HG23 THR 84 5.528 -22.066 2.856 649 H ARG 85 HN ARG 85 5.089 -19.701 -1.378 650 HA ARG 85 HA ARG 85 4.831 -21.953 -2.905 651 1HB ARG 85 HB2 ARG 85 4.145 -20.599 -4.771 652 2HB ARG 85 HB1 ARG 85 3.651 -19.766 -3.302 653 1HG ARG 85 HG2 ARG 85 4.671 -17.954 -4.268 654 2HG ARG 85 HG1 ARG 85 6.149 -18.689 -3.663 655 1HD ARG 85 HD2 ARG 85 6.455 -18.106 -6.002 656 2HD ARG 85 HD1 ARG 85 6.400 -19.859 -5.878 657 HE ARG 85 HE ARG 85 3.769 -19.175 -6.372 658 1HH1 ARG 85 HH21 ARG 85 6.834 -18.494 -7.794 659 2HH1 ARG 85 HH22 ARG 85 6.208 -18.364 -9.404 660 1HH2 ARG 85 HH11 ARG 85 2.933 -19.010 -8.466 661 2HH2 ARG 85 HH12 ARG 85 3.999 -18.656 -9.784 662 H GLY 86 HN GLY 86 7.612 -19.739 -3.026 663 1HA GLY 86 HA2 GLY 86 9.777 -20.603 -3.666 664 2HA GLY 86 HA1 GLY 86 8.995 -21.752 -4.746 665 H ILE 87 HN ILE 87 9.014 -18.158 -4.324 666 HA ILE 87 HA ILE 87 8.527 -17.649 -7.108 667 HB ILE 87 HB ILE 87 10.033 -15.830 -5.193 668 1HG1 ILE 87 HG12 ILE 87 7.040 -15.838 -5.625 669 2HG1 ILE 87 HG11 ILE 87 7.789 -16.744 -4.312 670 1HG2 ILE 87 HG21 ILE 87 8.441 -15.416 -7.734 671 2HG2 ILE 87 HG22 ILE 87 10.097 -14.927 -7.400 672 3HG2 ILE 87 HG23 ILE 87 8.760 -14.094 -6.616 673 1HD1 ILE 87 HD11 ILE 87 7.045 -14.459 -3.624 674 2HD1 ILE 87 HD12 ILE 87 8.187 -13.779 -4.784 675 3HD1 ILE 87 HD13 ILE 87 8.777 -14.715 -3.410 676 H THR 88 HN THR 88 11.227 -15.888 -6.448 677 HA THR 88 HA THR 88 13.045 -17.766 -7.965 678 HB THR 88 HB THR 88 13.254 -14.745 -7.964 679 HG1 THR 88 HG1 THR 88 11.400 -16.298 -9.121 680 1HG2 THR 88 HG21 THR 88 14.202 -16.786 -9.984 681 2HG2 THR 88 HG22 THR 88 15.202 -16.228 -8.643 682 3HG2 THR 88 HG23 THR 88 14.660 -15.087 -9.874 683 H SER 89 HN SER 89 13.076 -18.230 -5.394 684 HA SER 89 HA SER 89 14.259 -17.991 -3.322 685 1HB SER 89 HB2 SER 89 16.444 -17.670 -5.400 686 2HB SER 89 HB1 SER 89 16.707 -18.080 -3.707 687 HG SER 89 HG SER 89 16.336 -20.058 -4.279 688 H TYR 90 HN TYR 90 13.322 -15.438 -4.755 689 HA TYR 90 HA TYR 90 14.872 -13.285 -4.797 690 1HB TYR 90 HB2 TYR 90 12.148 -13.662 -3.679 691 2HB TYR 90 HB1 TYR 90 12.930 -12.138 -3.269 692 HD1 TYR 90 HD1 TYR 90 14.305 -11.113 -5.436 693 HD2 TYR 90 HD2 TYR 90 10.797 -13.587 -5.596 694 HE1 TYR 90 HE1 TYR 90 13.779 -10.215 -7.678 695 HE2 TYR 90 HE2 TYR 90 10.271 -12.675 -7.848 696 HH TYR 90 HH TYR 90 10.747 -10.796 -9.227 697 H ASN 91 HN ASN 91 16.473 -12.421 -3.572 698 HA ASN 91 HA ASN 91 16.595 -13.108 -0.700 699 1HB ASN 91 HB2 ASN 91 18.923 -12.490 -0.832 700 2HB ASN 91 HB1 ASN 91 18.548 -13.538 -2.200 701 1HD2 ASN 91 HD21 ASN 91 18.739 -12.653 -4.321 702 2HD2 ASN 91 HD22 ASN 91 19.240 -11.059 -4.621 703 HA PRO 92 HA PRO 92 16.808 -8.284 -0.875 704 1HB PRO 92 HB2 PRO 92 14.472 -7.369 -2.294 705 2HB PRO 92 HB1 PRO 92 16.169 -7.090 -2.706 706 1HG PRO 92 HG2 PRO 92 14.296 -8.851 -4.038 707 2HG PRO 92 HG1 PRO 92 15.982 -8.542 -4.466 708 1HD PRO 92 HD2 PRO 92 14.856 -10.892 -3.213 709 2HD PRO 92 HD1 PRO 92 16.538 -10.632 -3.718 710 H LEU 93 HN LEU 93 13.531 -9.711 -1.257 711 HA LEU 93 HA LEU 93 12.303 -8.252 0.848 712 1HB LEU 93 HB2 LEU 93 11.053 -10.724 1.082 713 2HB LEU 93 HB1 LEU 93 10.546 -9.426 0.016 714 HG LEU 93 HG LEU 93 12.061 -10.385 -1.754 715 1HD1 LEU 93 HD11 LEU 93 12.507 -12.380 0.435 716 2HD1 LEU 93 HD12 LEU 93 13.621 -11.787 -0.799 717 3HD1 LEU 93 HD13 LEU 93 12.401 -12.989 -1.213 718 1HD2 LEU 93 HD21 LEU 93 9.597 -10.774 -1.628 719 2HD2 LEU 93 HD22 LEU 93 9.914 -12.247 -0.712 720 3HD2 LEU 93 HD23 LEU 93 10.468 -12.110 -2.380 721 H ALA 94 HN ALA 94 13.835 -11.363 0.905 722 HA ALA 94 HA ALA 94 14.094 -12.554 3.186 723 1HB ALA 94 HB1 ALA 94 15.925 -12.398 1.406 724 2HB ALA 94 HB2 ALA 94 16.414 -12.796 3.057 725 3HB ALA 94 HB3 ALA 94 16.648 -11.160 2.441 726 H GLY 95 HN GLY 95 15.502 -9.298 2.960 727 1HA GLY 95 HA2 GLY 95 15.823 -8.918 5.818 728 2HA GLY 95 HA1 GLY 95 15.882 -7.653 4.581 729 HA PRO 96 HA PRO 96 11.919 -7.158 6.746 730 1HB PRO 96 HB2 PRO 96 11.933 -4.283 6.400 731 2HB PRO 96 HB1 PRO 96 12.236 -5.181 7.895 732 1HG PRO 96 HG2 PRO 96 14.178 -3.786 6.236 733 2HG PRO 96 HG1 PRO 96 14.460 -4.621 7.769 734 1HD PRO 96 HD2 PRO 96 15.171 -5.522 5.092 735 2HD PRO 96 HD1 PRO 96 15.523 -6.315 6.638 736 H LEU 97 HN LEU 97 9.754 -5.810 5.658 737 HA LEU 97 HA LEU 97 9.853 -6.495 2.828 738 1HB LEU 97 HB2 LEU 97 7.631 -4.937 4.171 739 2HB LEU 97 HB1 LEU 97 7.513 -6.067 2.822 740 HG LEU 97 HG LEU 97 8.168 -6.767 5.699 741 1HD1 LEU 97 HD11 LEU 97 5.793 -6.297 5.323 742 2HD1 LEU 97 HD12 LEU 97 6.029 -8.031 5.545 743 3HD1 LEU 97 HD13 LEU 97 5.781 -7.374 3.927 744 1HD2 LEU 97 HD21 LEU 97 7.960 -9.140 4.752 745 2HD2 LEU 97 HD22 LEU 97 9.425 -8.259 4.318 746 3HD2 LEU 97 HD23 LEU 97 8.108 -8.406 3.155 747 H ARG 98 HN ARG 98 9.143 -3.426 4.557 748 HA ARG 98 HA ARG 98 9.062 -1.584 2.582 749 1HB ARG 98 HB2 ARG 98 9.001 -0.559 4.645 750 2HB ARG 98 HB1 ARG 98 10.278 -1.577 5.300 751 1HG ARG 98 HG2 ARG 98 11.988 -0.256 4.325 752 2HG ARG 98 HG1 ARG 98 10.861 0.552 3.238 753 1HD ARG 98 HD2 ARG 98 9.858 1.772 5.047 754 2HD ARG 98 HD1 ARG 98 10.710 0.802 6.250 755 HE ARG 98 HE ARG 98 12.751 1.940 4.770 756 1HH1 ARG 98 HH21 ARG 98 9.941 3.065 6.418 757 2HH1 ARG 98 HH22 ARG 98 10.632 4.599 6.825 758 1HH2 ARG 98 HH11 ARG 98 13.671 3.937 5.294 759 2HH2 ARG 98 HH12 ARG 98 12.745 5.093 6.190 760 H VAL 99 HN VAL 99 11.706 -3.537 3.382 761 HA VAL 99 HA VAL 99 13.776 -2.064 1.840 762 HB VAL 99 HB VAL 99 13.711 -4.503 3.600 763 1HG1 VAL 99 HG11 VAL 99 16.095 -5.005 2.805 764 2HG1 VAL 99 HG12 VAL 99 15.734 -4.027 1.383 765 3HG1 VAL 99 HG13 VAL 99 14.808 -5.493 1.702 766 1HG2 VAL 99 HG21 VAL 99 14.364 -2.279 4.466 767 2HG2 VAL 99 HG22 VAL 99 15.636 -2.169 3.251 768 3HG2 VAL 99 HG23 VAL 99 15.736 -3.384 4.520 769 H GLN 100 HN GLN 100 11.815 -4.999 1.514 770 HA GLN 100 HA GLN 100 12.885 -6.087 -0.798 771 1HB GLN 100 HB2 GLN 100 10.923 -7.307 -0.975 772 2HB GLN 100 HB1 GLN 100 10.715 -6.684 0.657 773 1HG GLN 100 HG2 GLN 100 9.339 -4.822 -0.251 774 2HG GLN 100 HG1 GLN 100 9.479 -5.531 -1.862 775 1HE2 GLN 100 HE21 GLN 100 8.535 -7.735 -2.163 776 2HE2 GLN 100 HE22 GLN 100 7.274 -8.248 -1.148 777 H ALA 101 HN ALA 101 10.372 -3.501 -0.747 778 HA ALA 101 HA ALA 101 10.836 -3.116 -3.645 779 1HB ALA 101 HB1 ALA 101 8.528 -2.982 -3.078 780 2HB ALA 101 HB2 ALA 101 9.006 -1.294 -3.260 781 3HB ALA 101 HB3 ALA 101 8.853 -1.998 -1.650 782 H ASN 102 HN ASN 102 11.584 -1.339 -0.676 783 HA ASN 102 HA ASN 102 12.383 1.058 -2.092 784 1HB ASN 102 HB2 ASN 102 13.278 0.012 0.617 785 2HB ASN 102 HB1 ASN 102 13.607 1.627 -0.005 786 1HD2 ASN 102 HD21 ASN 102 12.309 2.650 1.687 787 2HD2 ASN 102 HD22 ASN 102 10.615 2.556 1.672 788 H ASN 103 HN ASN 103 13.381 -1.236 -3.434 789 HA ASN 103 HA ASN 103 16.338 -0.877 -3.106 790 1HB ASN 103 HB2 ASN 103 15.595 -3.063 -2.203 791 2HB ASN 103 HB1 ASN 103 14.879 -3.445 -3.769 792 1HD2 ASN 103 HD21 ASN 103 17.818 -1.578 -3.859 793 2HD2 ASN 103 HD22 ASN 103 18.848 -2.843 -4.326 794 HA PRO 104 HA PRO 104 14.927 0.245 -7.422 795 1HB PRO 104 HB2 PRO 104 17.491 1.676 -7.544 796 2HB PRO 104 HB1 PRO 104 15.851 2.317 -7.726 797 1HG PRO 104 HG2 PRO 104 17.531 2.725 -5.492 798 2HG PRO 104 HG1 PRO 104 15.789 3.034 -5.543 799 1HD PRO 104 HD2 PRO 104 17.227 0.877 -4.170 800 2HD PRO 104 HD1 PRO 104 15.526 1.357 -3.991 801 H GLN 105 HN GLN 105 17.971 -1.054 -6.165 802 HA GLN 105 HA GLN 105 18.995 -1.895 -8.725 803 1HB GLN 105 HB2 GLN 105 19.500 -3.118 -5.993 804 2HB GLN 105 HB1 GLN 105 20.498 -3.332 -7.431 805 1HG GLN 105 HG2 GLN 105 19.941 -0.650 -6.133 806 2HG GLN 105 HG1 GLN 105 21.399 -1.604 -5.853 807 1HE2 GLN 105 HE21 GLN 105 19.732 0.440 -8.186 808 2HE2 GLN 105 HE22 GLN 105 20.995 0.497 -9.319 809 H GLN 106 HN GLN 106 16.420 -2.990 -6.773 810 HA GLN 106 HA GLN 106 15.982 -5.299 -8.590 811 1HB GLN 106 HB2 GLN 106 15.766 -5.620 -5.587 812 2HB GLN 106 HB1 GLN 106 15.697 -6.881 -6.820 813 1HG GLN 106 HG2 GLN 106 18.067 -6.299 -7.444 814 2HG GLN 106 HG1 GLN 106 18.111 -5.216 -6.053 815 1HE2 GLN 106 HE21 GLN 106 17.612 -8.661 -6.934 816 2HE2 GLN 106 HE22 GLN 106 18.107 -9.276 -5.431 817 H GLN 107 HN GLN 107 14.427 -3.491 -9.204 818 HA GLN 107 HA GLN 107 12.202 -2.989 -7.363 819 1HB GLN 107 HB2 GLN 107 11.262 -1.705 -9.271 820 2HB GLN 107 HB1 GLN 107 12.925 -1.234 -8.919 821 1HG GLN 107 HG2 GLN 107 13.700 -2.796 -10.710 822 2HG GLN 107 HG1 GLN 107 12.013 -3.119 -11.110 823 1HE2 GLN 107 HE21 GLN 107 10.985 -0.445 -10.777 824 2HE2 GLN 107 HE22 GLN 107 11.654 0.529 -11.995 825 H GLY 108 HN GLY 108 12.996 -5.609 -9.282 826 1HA GLY 108 HA2 GLY 108 10.765 -6.368 -10.732 827 2HA GLY 108 HA1 GLY 108 11.690 -7.516 -9.778 828 H LEU 109 HN LEU 109 11.191 -7.522 -7.476 829 HA LEU 109 HA LEU 109 8.481 -8.186 -6.834 830 1HB LEU 109 HB2 LEU 109 10.624 -7.081 -5.008 831 2HB LEU 109 HB1 LEU 109 9.098 -7.781 -4.464 832 HG LEU 109 HG LEU 109 11.215 -9.212 -6.103 833 1HD1 LEU 109 HD11 LEU 109 12.001 -8.980 -3.877 834 2HD1 LEU 109 HD12 LEU 109 11.312 -10.600 -3.961 835 3HD1 LEU 109 HD13 LEU 109 10.408 -9.292 -3.198 836 1HD2 LEU 109 HD21 LEU 109 8.409 -9.926 -5.284 837 2HD2 LEU 109 HD22 LEU 109 9.616 -11.208 -5.247 838 3HD2 LEU 109 HD23 LEU 109 9.289 -10.350 -6.752 839 H ARG 110 HN ARG 110 9.998 -4.950 -6.338 840 HA ARG 110 HA ARG 110 7.845 -3.621 -5.222 841 1HB ARG 110 HB2 ARG 110 9.951 -2.483 -5.992 842 2HB ARG 110 HB1 ARG 110 9.328 -2.538 -7.637 843 1HG ARG 110 HG2 ARG 110 7.384 -1.206 -6.991 844 2HG ARG 110 HG1 ARG 110 7.937 -1.180 -5.318 845 1HD ARG 110 HD2 ARG 110 9.282 0.076 -7.722 846 2HD ARG 110 HD1 ARG 110 8.631 0.899 -6.304 847 HE ARG 110 HE ARG 110 10.549 -0.780 -5.242 848 1HH1 ARG 110 HH21 ARG 110 10.421 1.569 -7.763 849 2HH1 ARG 110 HH22 ARG 110 12.075 2.051 -7.580 850 1HH2 ARG 110 HH11 ARG 110 12.711 -0.164 -4.989 851 2HH2 ARG 110 HH12 ARG 110 13.371 1.070 -6.009 852 H ARG 111 HN ARG 111 7.865 -4.877 -8.523 853 HA ARG 111 HA ARG 111 5.174 -3.670 -9.005 854 1HB ARG 111 HB2 ARG 111 6.428 -5.805 -10.739 855 2HB ARG 111 HB1 ARG 111 5.292 -4.546 -11.206 856 1HG ARG 111 HG2 ARG 111 6.961 -3.044 -11.657 857 2HG ARG 111 HG1 ARG 111 7.854 -3.449 -10.196 858 1HD ARG 111 HD2 ARG 111 8.769 -5.441 -11.254 859 2HD ARG 111 HD1 ARG 111 7.802 -5.159 -12.696 860 HE ARG 111 HE ARG 111 9.285 -2.817 -12.377 861 1HH1 ARG 111 HH21 ARG 111 9.902 -6.198 -12.654 862 2HH1 ARG 111 HH22 ARG 111 11.447 -5.989 -13.408 863 1HH2 ARG 111 HH11 ARG 111 11.296 -2.526 -13.365 864 2HH2 ARG 111 HH12 ARG 111 12.236 -3.911 -13.811 865 H GLU 112 HN GLU 112 6.562 -6.738 -8.011 866 HA GLU 112 HA GLU 112 3.932 -8.062 -8.187 867 1HB GLU 112 HB2 GLU 112 6.228 -9.230 -8.407 868 2HB GLU 112 HB1 GLU 112 6.340 -9.066 -6.655 869 1HG GLU 112 HG2 GLU 112 5.389 -11.226 -7.067 870 2HG GLU 112 HG1 GLU 112 4.067 -10.195 -6.517 871 H TYR 113 HN TYR 113 6.126 -6.847 -5.671 872 HA TYR 113 HA TYR 113 4.590 -7.439 -3.385 873 1HB TYR 113 HB2 TYR 113 6.846 -6.578 -3.171 874 2HB TYR 113 HB1 TYR 113 6.396 -5.075 -3.975 875 HD1 TYR 113 HD1 TYR 113 5.528 -3.253 -2.735 876 HD2 TYR 113 HD2 TYR 113 5.679 -7.163 -0.961 877 HE1 TYR 113 HE1 TYR 113 4.870 -2.287 -0.547 878 HE2 TYR 113 HE2 TYR 113 5.024 -6.195 1.225 879 HH TYR 113 HH TYR 113 5.302 -3.673 2.277 880 H GLN 114 HN GLN 114 4.176 -4.887 -5.799 881 HA GLN 114 HA GLN 114 2.197 -3.445 -4.205 882 1HB GLN 114 HB2 GLN 114 3.049 -3.303 -7.111 883 2HB GLN 114 HB1 GLN 114 1.768 -2.292 -6.444 884 1HG GLN 114 HG2 GLN 114 4.481 -2.397 -5.121 885 2HG GLN 114 HG1 GLN 114 4.199 -1.343 -6.505 886 1HE2 GLN 114 HE21 GLN 114 4.397 0.599 -5.165 887 2HE2 GLN 114 HE22 GLN 114 3.174 1.042 -4.074 888 H GLN 115 HN GLN 115 2.258 -5.958 -6.661 889 HA GLN 115 HA GLN 115 -0.540 -5.945 -7.288 890 1HB GLN 115 HB2 GLN 115 1.315 -7.103 -8.586 891 2HB GLN 115 HB1 GLN 115 1.313 -8.340 -7.328 892 1HG GLN 115 HG2 GLN 115 -0.130 -9.156 -9.040 893 2HG GLN 115 HG1 GLN 115 -1.189 -8.576 -7.755 894 1HE2 GLN 115 HE21 GLN 115 0.506 -7.068 -10.576 895 2HE2 GLN 115 HE22 GLN 115 -0.851 -6.195 -11.103 896 H LEU 116 HN LEU 116 1.377 -7.462 -4.723 897 HA LEU 116 HA LEU 116 -0.935 -8.988 -3.739 898 1HB LEU 116 HB2 LEU 116 1.710 -8.498 -2.338 899 2HB LEU 116 HB1 LEU 116 0.560 -9.798 -2.030 900 HG LEU 116 HG LEU 116 2.074 -9.407 -4.629 901 1HD1 LEU 116 HD11 LEU 116 3.382 -11.357 -3.927 902 2HD1 LEU 116 HD12 LEU 116 2.470 -11.448 -2.421 903 3HD1 LEU 116 HD13 LEU 116 3.529 -10.072 -2.729 904 1HD2 LEU 116 HD21 LEU 116 0.065 -10.554 -5.147 905 2HD2 LEU 116 HD22 LEU 116 0.086 -11.455 -3.631 906 3HD2 LEU 116 HD23 LEU 116 1.237 -11.848 -4.908 907 H TRP 117 HN TRP 117 0.580 -5.925 -3.359 908 HA TRP 117 HA TRP 117 -0.381 -5.221 -0.744 909 1HB TRP 117 HB2 TRP 117 1.433 -4.017 -2.069 910 2HB TRP 117 HB1 TRP 117 0.145 -3.342 -3.066 911 HD1 TRP 117 HD1 TRP 117 -1.143 -1.312 -2.146 912 HE1 TRP 117 HE1 TRP 117 -1.090 0.019 0.063 913 HE3 TRP 117 HE3 TRP 117 1.876 -4.345 0.638 914 HZ2 TRP 117 HZ2 TRP 117 0.080 -0.179 2.667 915 HZ3 TRP 117 HZ3 TRP 117 2.443 -3.753 2.976 916 HH2 TRP 117 HH2 TRP 117 1.550 -1.676 3.994 917 H LEU 118 HN LEU 118 -1.642 -4.736 -4.069 918 HA LEU 118 HA LEU 118 -4.071 -3.415 -3.224 919 1HB LEU 118 HB2 LEU 118 -3.425 -4.954 -5.751 920 2HB LEU 118 HB1 LEU 118 -4.835 -3.921 -5.516 921 HG LEU 118 HG LEU 118 -1.954 -2.986 -5.326 922 1HD1 LEU 118 HD11 LEU 118 -2.484 -1.818 -7.471 923 2HD1 LEU 118 HD12 LEU 118 -4.027 -2.671 -7.519 924 3HD1 LEU 118 HD13 LEU 118 -2.515 -3.574 -7.624 925 1HD2 LEU 118 HD21 LEU 118 -3.151 -1.453 -4.018 926 2HD2 LEU 118 HD22 LEU 118 -4.635 -1.653 -4.950 927 3HD2 LEU 118 HD23 LEU 118 -3.297 -0.713 -5.609 928 H ALA 119 HN ALA 119 -3.113 -6.804 -3.572 929 HA ALA 119 HA ALA 119 -5.823 -7.815 -3.439 930 1HB ALA 119 HB1 ALA 119 -4.802 -9.955 -2.883 931 2HB ALA 119 HB2 ALA 119 -3.294 -9.166 -2.422 932 3HB ALA 119 HB3 ALA 119 -3.798 -9.187 -4.112 933 H ALA 120 HN ALA 120 -3.736 -6.330 -1.154 934 HA ALA 120 HA ALA 120 -5.484 -7.228 1.127 935 1HB ALA 120 HB1 ALA 120 -3.710 -6.173 2.555 936 2HB ALA 120 HB2 ALA 120 -2.749 -5.919 1.096 937 3HB ALA 120 HB3 ALA 120 -3.132 -7.558 1.624 938 H PHE 121 HN PHE 121 -5.022 -4.751 -1.098 939 HA PHE 121 HA PHE 121 -6.187 -2.669 0.726 940 1HB PHE 121 HB2 PHE 121 -4.009 -2.560 -1.118 941 2HB PHE 121 HB1 PHE 121 -5.304 -1.662 -1.883 942 HD1 PHE 121 HD1 PHE 121 -2.784 -1.702 0.715 943 HD2 PHE 121 HD2 PHE 121 -6.342 0.279 -0.638 944 HE1 PHE 121 HE1 PHE 121 -2.240 0.245 2.149 945 HE2 PHE 121 HE2 PHE 121 -5.801 2.225 0.806 946 HZ PHE 121 HZ PHE 121 -3.753 2.208 2.197 947 H ALA 122 HN ALA 122 -6.718 -4.609 -2.095 948 HA ALA 122 HA ALA 122 -9.279 -3.136 -2.663 949 1HB ALA 122 HB1 ALA 122 -7.892 -3.430 -4.669 950 2HB ALA 122 HB2 ALA 122 -9.247 -4.556 -4.769 951 3HB ALA 122 HB3 ALA 122 -7.653 -5.138 -4.282 952 H ALA 123 HN ALA 123 -8.169 -6.216 -1.463 953 HA ALA 123 HA ALA 123 -10.989 -7.199 -1.621 954 1HB ALA 123 HB1 ALA 123 -8.611 -8.527 -0.283 955 2HB ALA 123 HB2 ALA 123 -8.971 -8.732 -1.998 956 3HB ALA 123 HB3 ALA 123 -10.124 -9.283 -0.782 957 H LEU 124 HN LEU 124 -9.915 -4.839 -0.031 958 HA LEU 124 HA LEU 124 -9.761 -5.557 2.614 959 1HB LEU 124 HB2 LEU 124 -10.017 -3.080 1.133 960 2HB LEU 124 HB1 LEU 124 -10.768 -2.930 2.722 961 HG LEU 124 HG LEU 124 -7.975 -4.074 2.361 962 1HD1 LEU 124 HD11 LEU 124 -7.038 -1.902 2.755 963 2HD1 LEU 124 HD12 LEU 124 -8.632 -1.200 3.036 964 3HD1 LEU 124 HD13 LEU 124 -8.174 -1.728 1.420 965 1HD2 LEU 124 HD21 LEU 124 -8.783 -4.568 4.502 966 2HD2 LEU 124 HD22 LEU 124 -9.570 -2.997 4.678 967 3HD2 LEU 124 HD23 LEU 124 -7.820 -3.125 4.730 968 HA PRO 125 HA PRO 125 -14.379 -3.905 3.232 969 1HB PRO 125 HB2 PRO 125 -15.851 -4.307 0.810 970 2HB PRO 125 HB1 PRO 125 -15.483 -2.769 1.613 971 1HG PRO 125 HG2 PRO 125 -14.204 -3.964 -0.766 972 2HG PRO 125 HG1 PRO 125 -14.150 -2.292 -0.188 973 1HD PRO 125 HD2 PRO 125 -12.022 -4.075 -0.045 974 2HD PRO 125 HD1 PRO 125 -12.208 -2.622 0.956 975 H GLY 126 HN GLY 126 -14.486 -6.289 0.590 976 1HA GLY 126 HA2 GLY 126 -16.032 -8.036 2.394 977 2HA GLY 126 HA1 GLY 126 -15.685 -8.368 0.682 978 H SER 127 HN SER 127 -14.000 -7.884 3.747 979 HA SER 127 HA SER 127 -13.051 -10.423 4.138 980 1HB SER 127 HB2 SER 127 -11.658 -9.532 1.895 981 2HB SER 127 HB1 SER 127 -10.516 -9.216 3.184 982 HG SER 127 HG SER 127 -11.597 -11.623 2.269 983 H ALA 128 HN ALA 128 -11.245 -7.371 4.133 984 HA ALA 128 HA ALA 128 -11.059 -7.544 7.137 985 1HB ALA 128 HB1 ALA 128 -9.023 -6.808 5.035 986 2HB ALA 128 HB2 ALA 128 -8.889 -7.995 6.329 987 3HB ALA 128 HB3 ALA 128 -8.856 -6.274 6.710 988 H LYS 129 HN LYS 129 -12.754 -5.964 7.556 989 HA LYS 129 HA LYS 129 -12.037 -3.226 7.304 990 1HB LYS 129 HB2 LYS 129 -12.744 -4.023 4.841 991 2HB LYS 129 HB1 LYS 129 -14.349 -3.782 5.464 992 1HG LYS 129 HG2 LYS 129 -12.953 -1.441 6.226 993 2HG LYS 129 HG1 LYS 129 -12.374 -1.793 4.605 994 1HD LYS 129 HD2 LYS 129 -14.574 -1.685 3.687 995 2HD LYS 129 HD1 LYS 129 -15.310 -1.704 5.280 996 1HE LYS 129 HE2 LYS 129 -13.468 0.495 4.319 997 2HE LYS 129 HE1 LYS 129 -15.226 0.593 4.258 998 1HZ LYS 129 HZ1 LYS 129 -14.983 1.464 6.293 999 2HZ LYS 129 HZ2 LYS 129 -13.441 0.790 6.527 1000 3HZ LYS 129 HZ3 LYS 129 -14.832 -0.150 6.791 1001 H ASP 130 HN ASP 130 -14.386 -2.042 7.083 1002 HA ASP 130 HA ASP 130 -16.564 -3.183 8.621 1003 1HB ASP 130 HB2 ASP 130 -14.983 -2.600 10.459 1004 2HB ASP 130 HB1 ASP 130 -14.926 -0.940 9.866 1005 HA PRO 131 HA PRO 131 -17.318 0.392 5.735 1006 1HB PRO 131 HB2 PRO 131 -18.697 -1.020 3.807 1007 2HB PRO 131 HB1 PRO 131 -16.932 -0.898 3.847 1008 1HG PRO 131 HG2 PRO 131 -18.630 -3.250 4.442 1009 2HG PRO 131 HG1 PRO 131 -16.900 -3.191 4.066 1010 1HD PRO 131 HD2 PRO 131 -18.152 -3.436 6.686 1011 2HD PRO 131 HD1 PRO 131 -16.425 -3.448 6.302 1012 H SER 132 HN SER 132 -19.502 -2.299 6.333 1013 HA SER 132 HA SER 132 -21.681 -0.936 7.628 1014 1HB SER 132 HB2 SER 132 -23.248 -1.132 5.639 1015 2HB SER 132 HB1 SER 132 -22.101 0.202 5.561 1016 HG SER 132 HG SER 132 -20.746 -1.280 4.330 1017 H TRP 133 HN TRP 133 -21.296 -3.306 4.998 1018 HA TRP 133 HA TRP 133 -22.347 -5.436 6.850 1019 1HB TRP 133 HB2 TRP 133 -22.682 -5.276 3.838 1020 2HB TRP 133 HB1 TRP 133 -23.402 -6.469 4.920 1021 HD1 TRP 133 HD1 TRP 133 -25.264 -5.565 6.670 1022 HE1 TRP 133 HE1 TRP 133 -26.907 -3.587 6.484 1023 HE3 TRP 133 HE3 TRP 133 -23.048 -2.928 2.898 1024 HZ2 TRP 133 HZ2 TRP 133 -27.238 -1.202 4.939 1025 HZ3 TRP 133 HZ3 TRP 133 -24.048 -0.809 2.090 1026 HH2 TRP 133 HH2 TRP 133 -26.138 0.056 3.105 1027 H ALA 134 HN ALA 134 -20.222 -6.076 7.446 1028 HA ALA 134 HA ALA 134 -18.468 -7.121 5.251 1029 1HB ALA 134 HB1 ALA 134 -17.257 -5.617 6.657 1030 2HB ALA 134 HB2 ALA 134 -16.762 -7.237 7.149 1031 3HB ALA 134 HB3 ALA 134 -17.925 -6.337 8.122 Start of MODEL 9 1 HT1 PRO 1 HT2 PRO 1 6.320 9.449 1.369 2 HT2 PRO 1 HT1 PRO 1 7.234 10.727 2.020 3 HA PRO 1 HA PRO 1 7.397 7.890 2.529 4 1HB PRO 1 HB2 PRO 1 10.095 9.054 2.726 5 2HB PRO 1 HB1 PRO 1 9.589 7.543 1.964 6 1HG PRO 1 HG2 PRO 1 10.232 10.034 0.668 7 2HG PRO 1 HG1 PRO 1 9.744 8.508 -0.088 8 1HD PRO 1 HD2 PRO 1 8.199 10.864 0.014 9 2HD PRO 1 HD1 PRO 1 7.615 9.259 -0.432 10 H VAL 2 HN VAL 2 8.886 7.834 4.666 11 HA VAL 2 HA VAL 2 8.797 10.197 6.365 12 HB VAL 2 HB VAL 2 7.300 9.119 8.093 13 1HG1 VAL 2 HG11 VAL 2 5.262 9.854 7.125 14 2HG1 VAL 2 HG12 VAL 2 5.791 9.445 5.494 15 3HG1 VAL 2 HG13 VAL 2 6.504 10.819 6.335 16 1HG2 VAL 2 HG21 VAL 2 7.473 6.797 7.317 17 2HG2 VAL 2 HG22 VAL 2 6.695 7.241 5.802 18 3HG2 VAL 2 HG23 VAL 2 5.783 7.304 7.304 19 H MET 3 HN MET 3 10.392 9.867 8.018 20 HA MET 3 HA MET 3 11.153 7.078 8.609 21 1HB MET 3 HB2 MET 3 13.522 8.812 8.036 22 2HB MET 3 HB1 MET 3 13.273 7.106 7.669 23 1HG MET 3 HG2 MET 3 11.813 7.721 5.779 24 2HG MET 3 HG1 MET 3 12.035 9.429 6.153 25 1HE MET 3 HE1 MET 3 14.207 9.765 3.203 26 2HE MET 3 HE2 MET 3 13.546 10.719 4.528 27 3HE MET 3 HE3 MET 3 12.519 9.561 3.688 28 H HIS 4 HN HIS 4 13.367 7.388 10.124 29 HA HIS 4 HA HIS 4 12.905 9.556 12.078 30 1HB HIS 4 HB2 HIS 4 12.769 7.866 13.943 31 2HB HIS 4 HB1 HIS 4 11.355 7.899 12.890 32 HD1 HIS 4 HD1 HIS 4 14.062 5.699 14.083 33 HD2 HIS 4 HD2 HIS 4 11.309 5.693 10.953 34 HE1 HIS 4 HE1 HIS 4 14.027 3.339 13.165 35 HA PRO 5 HA PRO 5 17.339 8.306 11.422 36 1HB PRO 5 HB2 PRO 5 18.117 11.041 11.943 37 2HB PRO 5 HB1 PRO 5 18.155 10.175 10.404 38 1HG PRO 5 HG2 PRO 5 16.356 12.288 11.155 39 2HG PRO 5 HG1 PRO 5 16.344 11.354 9.652 40 1HD PRO 5 HD2 PRO 5 14.513 11.161 11.921 41 2HD PRO 5 HD1 PRO 5 14.391 10.363 10.339 42 H HIS 6 HN HIS 6 17.026 7.166 13.501 43 HA HIS 6 HA HIS 6 17.320 6.874 15.827 44 1HB HIS 6 HB2 HIS 6 19.644 7.200 14.763 45 2HB HIS 6 HB1 HIS 6 19.595 8.827 15.440 46 HD1 HIS 6 HD1 HIS 6 20.788 8.908 17.615 47 HD2 HIS 6 HD2 HIS 6 18.835 5.262 17.094 48 HE1 HIS 6 HE1 HIS 6 21.230 7.553 19.709 49 H GLY 7 HN GLY 7 18.725 9.014 17.454 50 1HA GLY 7 HA2 GLY 7 16.352 10.320 18.446 51 2HA GLY 7 HA1 GLY 7 18.003 10.661 18.966 52 H ALA 8 HN ALA 8 15.482 11.526 16.704 53 HA ALA 8 HA ALA 8 16.599 14.187 16.388 54 1HB ALA 8 HB1 ALA 8 16.305 12.877 13.722 55 2HB ALA 8 HB2 ALA 8 17.674 12.335 14.686 56 3HB ALA 8 HB3 ALA 8 17.522 14.034 14.275 57 HA PRO 9 HA PRO 9 12.403 14.990 15.343 58 1HB PRO 9 HB2 PRO 9 12.604 16.321 12.797 59 2HB PRO 9 HB1 PRO 9 12.502 17.079 14.395 60 1HG PRO 9 HG2 PRO 9 14.786 17.060 12.684 61 2HG PRO 9 HG1 PRO 9 14.741 17.597 14.371 62 1HD PRO 9 HD2 PRO 9 15.778 15.064 13.248 63 2HD PRO 9 HD1 PRO 9 16.138 15.817 14.822 64 HA PRO 10 HA PRO 10 11.513 11.673 12.525 65 1HB PRO 10 HB2 PRO 10 8.702 12.002 12.354 66 2HB PRO 10 HB1 PRO 10 9.558 11.000 13.536 67 1HG PRO 10 HG2 PRO 10 8.249 13.619 13.941 68 2HG PRO 10 HG1 PRO 10 8.756 12.430 15.151 69 1HD PRO 10 HD2 PRO 10 10.077 14.889 14.545 70 2HD PRO 10 HD1 PRO 10 10.695 13.570 15.566 71 H ASN 11 HN ASN 11 11.891 11.876 10.312 72 HA ASN 11 HA ASN 11 11.312 14.317 8.915 73 1HB ASN 11 HB2 ASN 11 13.137 12.706 8.291 74 2HB ASN 11 HB1 ASN 11 11.895 11.587 7.728 75 1HD2 ASN 11 HD21 ASN 11 10.256 12.722 6.103 76 2HD2 ASN 11 HD22 ASN 11 10.968 13.728 4.937 77 H HIS 12 HN HIS 12 9.596 14.826 7.583 78 HA HIS 12 HA HIS 12 7.575 12.776 6.924 79 1HB HIS 12 HB2 HIS 12 6.971 13.702 9.202 80 2HB HIS 12 HB1 HIS 12 6.770 15.275 8.432 81 HD1 HIS 12 HD1 HIS 12 5.260 14.762 5.949 82 HD2 HIS 12 HD2 HIS 12 4.450 12.609 9.426 83 HE1 HIS 12 HE1 HIS 12 2.910 13.852 5.697 84 H ARG 13 HN ARG 13 7.198 13.120 4.780 85 HA ARG 13 HA ARG 13 7.307 15.960 3.774 86 1HB ARG 13 HB2 ARG 13 7.738 14.893 1.552 87 2HB ARG 13 HB1 ARG 13 9.016 14.659 2.742 88 1HG ARG 13 HG2 ARG 13 7.116 12.498 3.039 89 2HG ARG 13 HG1 ARG 13 7.518 12.640 1.334 90 1HD ARG 13 HD2 ARG 13 9.493 12.344 3.618 91 2HD ARG 13 HD1 ARG 13 9.095 11.128 2.414 92 HE ARG 13 HE ARG 13 9.948 13.279 0.900 93 1HH1 ARG 13 HH21 ARG 13 11.171 11.449 3.555 94 2HH1 ARG 13 HH22 ARG 13 12.831 11.671 3.114 95 1HH2 ARG 13 HH11 ARG 13 12.107 13.577 0.309 96 2HH2 ARG 13 HH12 ARG 13 13.361 12.876 1.276 97 HA PRO 14 HA PRO 14 2.844 14.742 3.494 98 1HB PRO 14 HB2 PRO 14 2.382 17.569 2.901 99 2HB PRO 14 HB1 PRO 14 1.777 16.606 4.256 100 1HG PRO 14 HG2 PRO 14 3.771 18.599 4.421 101 2HG PRO 14 HG1 PRO 14 3.412 17.392 5.664 102 1HD PRO 14 HD2 PRO 14 5.718 17.532 3.854 103 2HD PRO 14 HD1 PRO 14 5.500 16.509 5.291 104 H TRP 15 HN TRP 15 5.003 16.368 1.373 105 HA TRP 15 HA TRP 15 4.979 16.716 -0.956 106 1HB TRP 15 HB2 TRP 15 4.561 13.963 -0.299 107 2HB TRP 15 HB1 TRP 15 3.517 14.296 -1.675 108 HD1 TRP 15 HD1 TRP 15 7.117 13.850 -0.688 109 HE1 TRP 15 HE1 TRP 15 8.616 14.007 -2.779 110 HE3 TRP 15 HE3 TRP 15 3.706 15.534 -4.095 111 HZ2 TRP 15 HZ2 TRP 15 8.398 14.749 -5.533 112 HZ3 TRP 15 HZ3 TRP 15 4.378 15.957 -6.442 113 HH2 TRP 15 HH2 TRP 15 6.717 15.567 -7.165 114 H GLN 16 HN GLN 16 2.463 17.396 0.727 115 HA GLN 16 HA GLN 16 0.483 18.539 0.224 116 1HB GLN 16 HB2 GLN 16 1.920 19.012 -1.984 117 2HB GLN 16 HB1 GLN 16 0.718 17.954 -2.719 118 1HG GLN 16 HG2 GLN 16 -1.033 19.438 -1.529 119 2HG GLN 16 HG1 GLN 16 0.286 20.587 -1.306 120 1HE2 GLN 16 HE21 GLN 16 -0.420 18.445 -4.116 121 2HE2 GLN 16 HE22 GLN 16 -0.532 19.711 -5.241 122 H MET 17 HN MET 17 -0.643 16.691 1.264 123 HA MET 17 HA MET 17 -1.318 14.352 -0.257 124 1HB MET 17 HB2 MET 17 -2.654 15.394 2.256 125 2HB MET 17 HB1 MET 17 -2.700 13.738 1.651 126 1HG MET 17 HG2 MET 17 -0.161 15.196 2.439 127 2HG MET 17 HG1 MET 17 -1.022 14.062 3.479 128 1HE MET 17 HE1 MET 17 1.648 11.615 2.824 129 2HE MET 17 HE2 MET 17 0.104 11.668 3.672 130 3HE MET 17 HE3 MET 17 1.189 13.055 3.744 131 H LYS 18 HN LYS 18 -2.368 17.348 -0.923 132 HA LYS 18 HA LYS 18 -5.216 17.145 -0.902 133 1HB LYS 18 HB2 LYS 18 -5.258 18.979 -2.430 134 2HB LYS 18 HB1 LYS 18 -3.852 19.238 -1.407 135 1HG LYS 18 HG2 LYS 18 -2.351 18.500 -3.150 136 2HG LYS 18 HG1 LYS 18 -3.673 17.910 -4.139 137 1HD LYS 18 HD2 LYS 18 -2.722 20.151 -4.842 138 2HD LYS 18 HD1 LYS 18 -4.466 20.104 -4.601 139 1HE LYS 18 HE2 LYS 18 -4.320 21.244 -2.525 140 2HE LYS 18 HE1 LYS 18 -2.587 20.951 -2.392 141 1HZ LYS 18 HZ1 LYS 18 -4.010 22.829 -4.166 142 2HZ LYS 18 HZ2 LYS 18 -2.443 22.293 -4.546 143 3HZ LYS 18 HZ3 LYS 18 -2.728 23.139 -3.100 144 H ASP 19 HN ASP 19 -2.965 15.300 -2.507 145 HA ASP 19 HA ASP 19 -4.824 14.645 -4.757 146 1HB ASP 19 HB2 ASP 19 -2.402 15.012 -5.313 147 2HB ASP 19 HB1 ASP 19 -1.989 13.647 -4.276 148 H LEU 20 HN LEU 20 -3.320 13.200 -1.872 149 HA LEU 20 HA LEU 20 -4.545 10.609 -2.409 150 1HB LEU 20 HB2 LEU 20 -3.753 11.573 0.342 151 2HB LEU 20 HB1 LEU 20 -3.734 9.927 -0.302 152 HG LEU 20 HG LEU 20 -1.873 12.205 -1.049 153 1HD1 LEU 20 HD11 LEU 20 -1.199 9.445 -0.019 154 2HD1 LEU 20 HD12 LEU 20 -1.500 10.800 1.069 155 3HD1 LEU 20 HD13 LEU 20 -0.161 10.869 -0.077 156 1HD2 LEU 20 HD21 LEU 20 -2.321 11.059 -3.100 157 2HD2 LEU 20 HD22 LEU 20 -2.314 9.485 -2.305 158 3HD2 LEU 20 HD23 LEU 20 -0.807 10.379 -2.503 159 H GLN 21 HN GLN 21 -5.533 13.684 -1.185 160 HA GLN 21 HA GLN 21 -7.868 12.714 0.261 161 1HB GLN 21 HB2 GLN 21 -6.813 14.959 0.684 162 2HB GLN 21 HB1 GLN 21 -7.305 15.455 -0.935 163 1HG GLN 21 HG2 GLN 21 -9.658 15.110 -0.359 164 2HG GLN 21 HG1 GLN 21 -9.201 14.525 1.241 165 1HE2 GLN 21 HE21 GLN 21 -8.882 17.438 -0.857 166 2HE2 GLN 21 HE22 GLN 21 -8.866 18.545 0.430 167 H ALA 22 HN ALA 22 -7.080 13.999 -2.952 168 HA ALA 22 HA ALA 22 -9.577 14.140 -4.190 169 1HB ALA 22 HB1 ALA 22 -8.457 13.690 -6.265 170 2HB ALA 22 HB2 ALA 22 -7.164 12.813 -5.446 171 3HB ALA 22 HB3 ALA 22 -7.310 14.559 -5.245 172 H ILE 23 HN ILE 23 -7.696 11.294 -3.253 173 HA ILE 23 HA ILE 23 -9.390 9.385 -4.614 174 HB ILE 23 HB ILE 23 -7.308 9.217 -2.449 175 1HG1 ILE 23 HG12 ILE 23 -6.324 7.580 -4.057 176 2HG1 ILE 23 HG11 ILE 23 -7.722 7.801 -5.105 177 1HG2 ILE 23 HG21 ILE 23 -7.839 6.636 -2.534 178 2HG2 ILE 23 HG22 ILE 23 -9.459 7.184 -2.969 179 3HG2 ILE 23 HG23 ILE 23 -8.744 7.679 -1.438 180 1HD1 ILE 23 HD11 ILE 23 -5.749 9.200 -5.768 181 2HD1 ILE 23 HD12 ILE 23 -5.898 10.052 -4.233 182 3HD1 ILE 23 HD13 ILE 23 -7.196 10.144 -5.421 183 H LYS 24 HN LYS 24 -9.206 10.268 -1.075 184 HA LYS 24 HA LYS 24 -11.556 9.119 -0.101 185 1HB LYS 24 HB2 LYS 24 -10.396 11.867 0.360 186 2HB LYS 24 HB1 LYS 24 -11.762 11.225 1.270 187 1HG LYS 24 HG2 LYS 24 -10.392 9.317 2.006 188 2HG LYS 24 HG1 LYS 24 -9.028 9.930 1.075 189 1HD LYS 24 HD2 LYS 24 -8.549 10.759 3.209 190 2HD LYS 24 HD1 LYS 24 -9.384 12.125 2.480 191 1HE LYS 24 HE2 LYS 24 -10.212 11.631 4.772 192 2HE LYS 24 HE1 LYS 24 -11.481 11.451 3.563 193 1HZ LYS 24 HZ1 LYS 24 -10.758 9.581 5.392 194 2HZ LYS 24 HZ2 LYS 24 -9.977 9.046 3.982 195 3HZ LYS 24 HZ3 LYS 24 -11.658 9.286 3.985 196 H GLN 25 HN GLN 25 -11.477 12.200 -1.942 197 HA GLN 25 HA GLN 25 -14.092 12.872 -1.731 198 1HB GLN 25 HB2 GLN 25 -12.501 12.855 -4.305 199 2HB GLN 25 HB1 GLN 25 -13.979 13.782 -4.047 200 1HG GLN 25 HG2 GLN 25 -12.814 14.808 -2.014 201 2HG GLN 25 HG1 GLN 25 -11.325 14.091 -2.630 202 1HE2 GLN 25 HE21 GLN 25 -12.659 17.010 -2.541 203 2HE2 GLN 25 HE22 GLN 25 -12.278 17.605 -4.084 204 H GLU 26 HN GLU 26 -12.660 10.443 -3.847 205 HA GLU 26 HA GLU 26 -15.261 9.571 -4.937 206 1HB GLU 26 HB2 GLU 26 -12.401 8.942 -5.560 207 2HB GLU 26 HB1 GLU 26 -13.697 7.956 -6.231 208 1HG GLU 26 HG2 GLU 26 -13.630 10.973 -6.478 209 2HG GLU 26 HG1 GLU 26 -12.916 9.902 -7.685 210 H VAL 27 HN VAL 27 -13.165 8.470 -2.308 211 HA VAL 27 HA VAL 27 -13.821 5.708 -2.554 212 HB VAL 27 HB VAL 27 -13.200 5.367 -0.303 213 1HG1 VAL 27 HG11 VAL 27 -11.287 5.804 -1.571 214 2HG1 VAL 27 HG12 VAL 27 -11.088 6.850 -0.168 215 3HG1 VAL 27 HG13 VAL 27 -11.634 7.521 -1.704 216 1HG2 VAL 27 HG21 VAL 27 -14.354 6.859 1.063 217 2HG2 VAL 27 HG22 VAL 27 -13.945 8.250 0.077 218 3HG2 VAL 27 HG23 VAL 27 -12.732 7.543 1.136 219 H SER 28 HN SER 28 -15.222 8.580 -1.468 220 HA SER 28 HA SER 28 -17.537 7.707 0.008 221 1HB SER 28 HB2 SER 28 -17.083 10.218 -1.646 222 2HB SER 28 HB1 SER 28 -18.517 9.951 -0.661 223 HG SER 28 HG SER 28 -16.672 11.127 0.319 224 H GLN 29 HN GLN 29 -17.527 9.194 -3.224 225 HA GLN 29 HA GLN 29 -19.540 8.656 -4.744 226 1HB GLN 29 HB2 GLN 29 -17.221 8.724 -5.613 227 2HB GLN 29 HB1 GLN 29 -17.155 6.975 -5.436 228 1HG GLN 29 HG2 GLN 29 -17.825 7.416 -7.696 229 2HG GLN 29 HG1 GLN 29 -19.273 6.879 -6.846 230 1HE2 GLN 29 HE21 GLN 29 -17.577 9.858 -7.925 231 2HE2 GLN 29 HE22 GLN 29 -18.981 10.807 -8.018 232 H ALA 30 HN ALA 30 -17.639 5.791 -3.750 233 HA ALA 30 HA ALA 30 -19.762 3.897 -4.532 234 1HB ALA 30 HB1 ALA 30 -17.219 3.539 -4.721 235 2HB ALA 30 HB2 ALA 30 -18.175 2.195 -4.097 236 3HB ALA 30 HB3 ALA 30 -17.250 3.207 -2.986 237 H ALA 31 HN ALA 31 -19.570 1.927 -2.699 238 HA ALA 31 HA ALA 31 -21.195 2.944 -0.474 239 1HB ALA 31 HB1 ALA 31 -20.919 0.491 -1.914 240 2HB ALA 31 HB2 ALA 31 -22.050 0.820 -0.607 241 3HB ALA 31 HB3 ALA 31 -20.467 0.126 -0.251 242 HA PRO 32 HA PRO 32 -18.155 3.217 2.675 243 1HB PRO 32 HB2 PRO 32 -18.935 0.833 4.216 244 2HB PRO 32 HB1 PRO 32 -19.076 2.539 4.663 245 1HG PRO 32 HG2 PRO 32 -21.205 0.808 3.861 246 2HG PRO 32 HG1 PRO 32 -21.307 2.556 4.121 247 1HD PRO 32 HD2 PRO 32 -21.434 1.134 1.607 248 2HD PRO 32 HD1 PRO 32 -21.553 2.884 1.861 249 H GLY 33 HN GLY 33 -16.315 2.676 1.399 250 1HA GLY 33 HA2 GLY 33 -14.331 1.387 1.139 251 2HA GLY 33 HA1 GLY 33 -15.138 0.034 1.942 252 H SER 34 HN SER 34 -16.027 -1.522 0.690 253 HA SER 34 HA SER 34 -16.707 -2.704 -1.174 254 1HB SER 34 HB2 SER 34 -18.322 -1.563 -2.223 255 2HB SER 34 HB1 SER 34 -17.774 -0.130 -1.378 256 HG SER 34 HG SER 34 -16.560 0.440 -3.112 257 HA PRO 35 HA PRO 35 -13.182 -3.155 -3.957 258 1HB PRO 35 HB2 PRO 35 -14.705 -3.138 -6.433 259 2HB PRO 35 HB1 PRO 35 -13.968 -4.520 -5.608 260 1HG PRO 35 HG2 PRO 35 -16.773 -3.890 -5.774 261 2HG PRO 35 HG1 PRO 35 -16.025 -5.228 -4.890 262 1HD PRO 35 HD2 PRO 35 -17.245 -2.855 -3.784 263 2HD PRO 35 HD1 PRO 35 -16.480 -4.191 -2.903 264 H GLN 36 HN GLN 36 -15.640 -0.923 -5.248 265 HA GLN 36 HA GLN 36 -14.279 0.658 -6.996 266 1HB GLN 36 HB2 GLN 36 -16.011 1.561 -4.698 267 2HB GLN 36 HB1 GLN 36 -15.538 2.613 -6.035 268 1HG GLN 36 HG2 GLN 36 -16.955 -0.036 -6.428 269 2HG GLN 36 HG1 GLN 36 -17.805 1.505 -6.310 270 1HE2 GLN 36 HE21 GLN 36 -17.313 3.151 -8.013 271 2HE2 GLN 36 HE22 GLN 36 -16.729 2.645 -9.525 272 H PHE 37 HN PHE 37 -13.752 0.659 -3.486 273 HA PHE 37 HA PHE 37 -12.381 2.957 -3.104 274 1HB PHE 37 HB2 PHE 37 -12.903 1.058 -1.504 275 2HB PHE 37 HB1 PHE 37 -11.346 0.369 -1.958 276 HD1 PHE 37 HD1 PHE 37 -10.240 3.494 -2.320 277 HD2 PHE 37 HD2 PHE 37 -12.024 1.161 0.830 278 HE1 PHE 37 HE1 PHE 37 -9.148 4.921 -0.643 279 HE2 PHE 37 HE2 PHE 37 -10.923 2.614 2.505 280 HZ PHE 37 HZ PHE 37 -9.484 4.491 1.770 281 H MET 38 HN MET 38 -11.040 -0.207 -3.825 282 HA MET 38 HA MET 38 -8.332 0.259 -4.379 283 1HB MET 38 HB2 MET 38 -9.210 -2.003 -4.258 284 2HB MET 38 HB1 MET 38 -10.185 -1.728 -5.701 285 1HG MET 38 HG2 MET 38 -7.240 -1.217 -5.940 286 2HG MET 38 HG1 MET 38 -7.757 -2.895 -5.834 287 1HE MET 38 HE1 MET 38 -7.439 -3.114 -9.525 288 2HE MET 38 HE2 MET 38 -7.219 -3.827 -7.929 289 3HE MET 38 HE3 MET 38 -6.302 -2.392 -8.379 290 H GLN 39 HN GLN 39 -11.080 0.630 -6.583 291 HA GLN 39 HA GLN 39 -9.811 1.015 -9.015 292 1HB GLN 39 HB2 GLN 39 -12.301 1.220 -8.373 293 2HB GLN 39 HB1 GLN 39 -11.945 2.915 -8.033 294 1HG GLN 39 HG2 GLN 39 -12.685 2.836 -10.306 295 2HG GLN 39 HG1 GLN 39 -10.935 3.037 -10.369 296 1HE2 GLN 39 HE21 GLN 39 -13.354 0.352 -10.281 297 2HE2 GLN 39 HE22 GLN 39 -12.497 -0.646 -11.354 298 H THR 40 HN THR 40 -10.319 3.369 -6.420 299 HA THR 40 HA THR 40 -8.591 5.449 -7.643 300 HB THR 40 HB THR 40 -9.074 5.933 -4.881 301 HG1 THR 40 HG1 THR 40 -10.912 5.072 -4.412 302 1HG2 THR 40 HG21 THR 40 -9.294 7.546 -6.826 303 2HG2 THR 40 HG22 THR 40 -10.551 7.655 -5.596 304 3HG2 THR 40 HG23 THR 40 -10.884 6.837 -7.118 305 H ILE 41 HN ILE 41 -8.063 3.024 -5.072 306 HA ILE 41 HA ILE 41 -5.362 4.167 -4.751 307 HB ILE 41 HB ILE 41 -6.375 1.456 -3.860 308 1HG1 ILE 41 HG12 ILE 41 -7.567 3.638 -3.000 309 2HG1 ILE 41 HG11 ILE 41 -7.086 2.406 -1.843 310 1HG2 ILE 41 HG21 ILE 41 -3.927 3.079 -3.225 311 2HG2 ILE 41 HG22 ILE 41 -4.011 1.425 -3.827 312 3HG2 ILE 41 HG23 ILE 41 -4.487 1.785 -2.168 313 1HD1 ILE 41 HD11 ILE 41 -6.466 4.830 -1.247 314 2HD1 ILE 41 HD12 ILE 41 -5.265 4.722 -2.531 315 3HD1 ILE 41 HD13 ILE 41 -5.171 3.638 -1.148 316 H ARG 42 HN ARG 42 -6.888 2.418 -7.111 317 HA ARG 42 HA ARG 42 -4.664 0.713 -7.903 318 1HB ARG 42 HB2 ARG 42 -7.072 0.323 -8.580 319 2HB ARG 42 HB1 ARG 42 -6.917 1.724 -9.637 320 1HG ARG 42 HG2 ARG 42 -4.988 0.611 -10.764 321 2HG ARG 42 HG1 ARG 42 -5.269 -0.815 -9.767 322 1HD ARG 42 HD2 ARG 42 -7.537 -1.034 -10.693 323 2HD ARG 42 HD1 ARG 42 -7.285 0.411 -11.671 324 HE ARG 42 HE ARG 42 -5.191 -1.252 -12.398 325 1HH1 ARG 42 HH21 ARG 42 -8.622 -1.492 -12.179 326 2HH1 ARG 42 HH22 ARG 42 -8.760 -2.627 -13.481 327 1HH2 ARG 42 HH11 ARG 42 -5.349 -2.733 -14.100 328 2HH2 ARG 42 HH12 ARG 42 -6.907 -3.329 -14.568 329 H LEU 43 HN LEU 43 -5.992 3.874 -8.987 330 HA LEU 43 HA LEU 43 -3.712 4.212 -10.833 331 1HB LEU 43 HB2 LEU 43 -5.956 6.131 -10.151 332 2HB LEU 43 HB1 LEU 43 -4.851 6.254 -11.516 333 HG LEU 43 HG LEU 43 -6.697 3.892 -11.079 334 1HD1 LEU 43 HD11 LEU 43 -7.092 6.347 -12.816 335 2HD1 LEU 43 HD12 LEU 43 -8.026 5.939 -11.377 336 3HD1 LEU 43 HD13 LEU 43 -8.132 4.922 -12.814 337 1HD2 LEU 43 HD21 LEU 43 -6.259 3.732 -13.628 338 2HD2 LEU 43 HD22 LEU 43 -4.949 3.255 -12.553 339 3HD2 LEU 43 HD23 LEU 43 -4.915 4.834 -13.336 340 H ALA 44 HN ALA 44 -4.472 5.023 -7.560 341 HA ALA 44 HA ALA 44 -2.559 7.330 -7.576 342 1HB ALA 44 HB1 ALA 44 -3.281 7.791 -5.382 343 2HB ALA 44 HB2 ALA 44 -3.723 6.111 -5.073 344 3HB ALA 44 HB3 ALA 44 -4.745 7.118 -6.098 345 H VAL 45 HN VAL 45 -2.632 4.033 -6.192 346 HA VAL 45 HA VAL 45 0.116 4.392 -5.284 347 HB VAL 45 HB VAL 45 -1.763 2.028 -5.428 348 1HG1 VAL 45 HG11 VAL 45 1.197 2.047 -4.811 349 2HG1 VAL 45 HG12 VAL 45 0.323 0.995 -5.925 350 3HG1 VAL 45 HG13 VAL 45 0.120 0.798 -4.185 351 1HG2 VAL 45 HG21 VAL 45 -1.770 2.187 -3.067 352 2HG2 VAL 45 HG22 VAL 45 -1.783 3.871 -3.593 353 3HG2 VAL 45 HG23 VAL 45 -0.282 3.134 -3.037 354 H GLN 46 HN GLN 46 -1.459 3.362 -8.251 355 HA GLN 46 HA GLN 46 0.976 2.061 -9.265 356 1HB GLN 46 HB2 GLN 46 -1.305 1.312 -9.952 357 2HB GLN 46 HB1 GLN 46 -1.540 2.869 -10.749 358 1HG GLN 46 HG2 GLN 46 0.284 2.450 -12.269 359 2HG GLN 46 HG1 GLN 46 0.756 0.999 -11.384 360 1HE2 GLN 46 HE21 GLN 46 -1.633 2.324 -13.635 361 2HE2 GLN 46 HE22 GLN 46 -2.348 0.836 -14.030 362 H GLN 47 HN GLN 47 -0.346 5.270 -9.162 363 HA GLN 47 HA GLN 47 1.161 6.160 -11.516 364 1HB GLN 47 HB2 GLN 47 -0.665 7.519 -9.556 365 2HB GLN 47 HB1 GLN 47 0.297 8.462 -10.691 366 1HG GLN 47 HG2 GLN 47 -1.406 6.153 -11.646 367 2HG GLN 47 HG1 GLN 47 -2.089 7.766 -11.438 368 1HE2 GLN 47 HE21 GLN 47 -1.244 9.502 -12.837 369 2HE2 GLN 47 HE22 GLN 47 -0.389 9.133 -14.257 370 H PHE 48 HN PHE 48 1.035 7.435 -8.186 371 HA PHE 48 HA PHE 48 3.760 8.484 -8.439 372 1HB PHE 48 HB2 PHE 48 1.863 8.479 -6.073 373 2HB PHE 48 HB1 PHE 48 3.357 9.408 -6.196 374 HD1 PHE 48 HD1 PHE 48 -0.098 9.049 -7.445 375 HD2 PHE 48 HD2 PHE 48 3.516 11.365 -7.632 376 HE1 PHE 48 HE1 PHE 48 -1.323 10.869 -8.602 377 HE2 PHE 48 HE2 PHE 48 2.290 13.183 -8.790 378 HZ PHE 48 HZ PHE 48 -0.130 12.936 -9.274 379 H ASP 49 HN ASP 49 2.564 5.449 -7.695 380 HA ASP 49 HA ASP 49 3.332 3.734 -6.186 381 1HB ASP 49 HB2 ASP 49 5.929 4.596 -7.466 382 2HB ASP 49 HB1 ASP 49 5.470 2.972 -6.955 383 HA PRO 50 HA PRO 50 5.062 6.701 -3.005 384 1HB PRO 50 HB2 PRO 50 3.343 5.275 -1.106 385 2HB PRO 50 HB1 PRO 50 3.319 6.989 -1.545 386 1HG PRO 50 HG2 PRO 50 1.391 5.038 -2.299 387 2HG PRO 50 HG1 PRO 50 1.525 6.680 -2.944 388 1HD PRO 50 HD2 PRO 50 2.201 4.149 -4.254 389 2HD PRO 50 HD1 PRO 50 2.113 5.772 -4.971 390 H THR 51 HN THR 51 6.620 6.127 -1.383 391 HA THR 51 HA THR 51 7.823 3.505 -1.700 392 HB THR 51 HB THR 51 9.434 4.269 -0.035 393 HG1 THR 51 HG1 THR 51 8.580 6.694 0.500 394 1HG2 THR 51 HG21 THR 51 8.555 6.497 -1.893 395 2HG2 THR 51 HG22 THR 51 9.670 5.189 -2.291 396 3HG2 THR 51 HG23 THR 51 10.126 6.404 -1.097 397 H ALA 52 HN ALA 52 8.284 2.131 0.373 398 HA ALA 52 HA ALA 52 5.806 1.287 1.412 399 1HB ALA 52 HB1 ALA 52 7.980 -0.032 1.333 400 2HB ALA 52 HB2 ALA 52 7.050 -0.206 2.821 401 3HB ALA 52 HB3 ALA 52 8.468 0.843 2.785 402 H LYS 53 HN LYS 53 8.089 3.679 2.413 403 HA LYS 53 HA LYS 53 7.215 4.041 5.150 404 1HB LYS 53 HB2 LYS 53 8.656 5.941 3.281 405 2HB LYS 53 HB1 LYS 53 8.538 6.122 5.024 406 1HG LYS 53 HG2 LYS 53 9.888 4.235 5.447 407 2HG LYS 53 HG1 LYS 53 9.683 3.605 3.814 408 1HD LYS 53 HD2 LYS 53 10.983 6.296 4.160 409 2HD LYS 53 HD1 LYS 53 11.929 4.853 4.513 410 1HE LYS 53 HE2 LYS 53 11.496 3.983 2.268 411 2HE LYS 53 HE1 LYS 53 10.466 5.367 1.906 412 1HZ LYS 53 HZ1 LYS 53 12.547 5.889 1.008 413 2HZ LYS 53 HZ2 LYS 53 13.387 5.331 2.375 414 3HZ LYS 53 HZ3 LYS 53 12.481 6.766 2.458 415 H ASP 54 HN ASP 54 6.456 5.625 2.054 416 HA ASP 54 HA ASP 54 4.458 7.501 3.176 417 1HB ASP 54 HB2 ASP 54 5.658 7.820 0.948 418 2HB ASP 54 HB1 ASP 54 4.750 6.432 0.353 419 H LEU 55 HN LEU 55 4.533 4.125 2.483 420 HA LEU 55 HA LEU 55 1.567 4.060 2.419 421 1HB LEU 55 HB2 LEU 55 3.750 1.986 2.231 422 2HB LEU 55 HB1 LEU 55 2.102 1.491 2.604 423 HG LEU 55 HG LEU 55 2.604 3.314 0.249 424 1HD1 LEU 55 HD11 LEU 55 3.028 0.320 0.346 425 2HD1 LEU 55 HD12 LEU 55 4.150 1.554 -0.227 426 3HD1 LEU 55 HD13 LEU 55 2.694 1.188 -1.152 427 1HD2 LEU 55 HD21 LEU 55 0.609 2.070 -0.619 428 2HD2 LEU 55 HD22 LEU 55 0.279 2.905 0.896 429 3HD2 LEU 55 HD23 LEU 55 0.553 1.164 0.892 430 H GLN 56 HN GLN 56 4.079 4.322 4.621 431 HA GLN 56 HA GLN 56 2.871 2.820 6.813 432 1HB GLN 56 HB2 GLN 56 5.387 3.330 6.430 433 2HB GLN 56 HB1 GLN 56 5.022 4.910 7.120 434 1HG GLN 56 HG2 GLN 56 4.428 2.257 8.470 435 2HG GLN 56 HG1 GLN 56 5.816 3.281 8.834 436 1HE2 GLN 56 HE21 GLN 56 2.461 2.770 9.506 437 2HE2 GLN 56 HE22 GLN 56 2.217 4.162 10.447 438 H ASP 57 HN ASP 57 3.437 6.330 6.201 439 HA ASP 57 HA ASP 57 1.620 7.020 8.415 440 1HB ASP 57 HB2 ASP 57 1.980 9.375 7.578 441 2HB ASP 57 HB1 ASP 57 3.473 8.543 8.012 442 H LEU 58 HN LEU 58 1.185 6.132 5.165 443 HA LEU 58 HA LEU 58 -1.363 7.653 4.935 444 1HB LEU 58 HB2 LEU 58 0.149 6.969 2.927 445 2HB LEU 58 HB1 LEU 58 -0.459 5.341 3.199 446 HG LEU 58 HG LEU 58 -2.812 6.361 3.079 447 1HD1 LEU 58 HD11 LEU 58 -2.530 8.688 3.246 448 2HD1 LEU 58 HD12 LEU 58 -2.732 8.470 1.513 449 3HD1 LEU 58 HD13 LEU 58 -1.122 8.700 2.188 450 1HD2 LEU 58 HD21 LEU 58 -2.779 6.319 0.593 451 2HD2 LEU 58 HD22 LEU 58 -1.850 4.989 1.284 452 3HD2 LEU 58 HD23 LEU 58 -1.017 6.399 0.630 453 H LEU 59 HN LEU 59 -0.839 4.103 4.611 454 HA LEU 59 HA LEU 59 -3.371 3.334 5.399 455 1HB LEU 59 HB2 LEU 59 -0.676 2.095 5.917 456 2HB LEU 59 HB1 LEU 59 -2.125 1.330 6.559 457 HG LEU 59 HG LEU 59 -1.424 0.446 4.325 458 1HD1 LEU 59 HD11 LEU 59 -3.929 0.747 5.225 459 2HD1 LEU 59 HD12 LEU 59 -3.593 0.118 3.616 460 3HD1 LEU 59 HD13 LEU 59 -4.049 1.806 3.818 461 1HD2 LEU 59 HD21 LEU 59 -2.285 3.162 3.290 462 2HD2 LEU 59 HD22 LEU 59 -1.619 1.824 2.353 463 3HD2 LEU 59 HD23 LEU 59 -0.599 2.688 3.503 464 H GLN 60 HN GLN 60 -1.033 4.914 7.423 465 HA GLN 60 HA GLN 60 -2.391 4.057 9.911 466 1HB GLN 60 HB2 GLN 60 0.102 4.369 9.679 467 2HB GLN 60 HB1 GLN 60 -0.197 6.108 9.626 468 1HG GLN 60 HG2 GLN 60 -1.419 5.897 11.805 469 2HG GLN 60 HG1 GLN 60 -0.953 4.195 11.857 470 1HE2 GLN 60 HE21 GLN 60 -0.098 6.853 13.397 471 2HE2 GLN 60 HE22 GLN 60 1.592 6.699 13.455 472 H TYR 61 HN TYR 61 -2.258 6.817 7.731 473 HA TYR 61 HA TYR 61 -3.813 8.518 9.636 474 1HB TYR 61 HB2 TYR 61 -1.773 9.498 8.618 475 2HB TYR 61 HB1 TYR 61 -2.463 9.241 7.016 476 HD1 TYR 61 HD1 TYR 61 -4.311 10.598 6.201 477 HD2 TYR 61 HD2 TYR 61 -2.721 11.172 10.150 478 HE1 TYR 61 HE1 TYR 61 -5.529 12.751 6.379 479 HE2 TYR 61 HE2 TYR 61 -3.941 13.324 10.328 480 HH TYR 61 HH TYR 61 -5.919 14.543 7.620 481 H LEU 62 HN LEU 62 -3.811 7.859 6.103 482 HA LEU 62 HA LEU 62 -6.505 8.725 5.682 483 1HB LEU 62 HB2 LEU 62 -4.514 7.733 4.029 484 2HB LEU 62 HB1 LEU 62 -5.599 6.356 4.093 485 HG LEU 62 HG LEU 62 -6.246 7.620 2.189 486 1HD1 LEU 62 HD11 LEU 62 -8.077 6.931 3.890 487 2HD1 LEU 62 HD12 LEU 62 -8.508 8.028 2.582 488 3HD1 LEU 62 HD13 LEU 62 -8.227 8.660 4.200 489 1HD2 LEU 62 HD21 LEU 62 -5.033 9.711 2.896 490 2HD2 LEU 62 HD22 LEU 62 -6.423 10.119 3.898 491 3HD2 LEU 62 HD23 LEU 62 -6.602 9.999 2.151 492 H CYS 63 HN CYS 63 -5.331 5.783 7.125 493 HA CYS 63 HA CYS 63 -8.189 4.914 7.327 494 1HB CYS 63 HB2 CYS 63 -5.812 3.248 8.156 495 2HB CYS 63 HB1 CYS 63 -7.448 2.725 7.784 496 HG CYS 63 HG CYS 63 -5.304 2.837 5.770 497 H SER 64 HN SER 64 -6.664 3.368 9.752 498 HA SER 64 HA SER 64 -6.259 5.592 11.605 499 1HB SER 64 HB2 SER 64 -8.750 5.290 11.604 500 2HB SER 64 HB1 SER 64 -8.511 3.626 12.129 501 HG SER 64 HG SER 64 -7.267 5.703 13.542 502 H SER 65 HN SER 65 -6.872 2.068 11.472 503 HA SER 65 HA SER 65 -4.220 1.496 12.478 504 1HB SER 65 HB2 SER 65 -4.995 0.486 14.653 505 2HB SER 65 HB1 SER 65 -5.104 2.243 14.598 506 HG SER 65 HG SER 65 -7.042 1.493 15.361 507 H LEU 66 HN LEU 66 -7.364 -0.101 13.093 508 HA LEU 66 HA LEU 66 -6.639 -2.701 12.572 509 1HB LEU 66 HB2 LEU 66 -9.200 -1.262 11.868 510 2HB LEU 66 HB1 LEU 66 -9.017 -3.002 11.668 511 HG LEU 66 HG LEU 66 -8.371 -1.667 14.304 512 1HD1 LEU 66 HD11 LEU 66 -11.075 -2.685 13.382 513 2HD1 LEU 66 HD12 LEU 66 -10.665 -1.008 13.743 514 3HD1 LEU 66 HD13 LEU 66 -10.679 -2.210 15.034 515 1HD2 LEU 66 HD21 LEU 66 -9.135 -3.985 15.105 516 2HD2 LEU 66 HD22 LEU 66 -7.619 -3.941 14.213 517 3HD2 LEU 66 HD23 LEU 66 -9.095 -4.478 13.415 518 H VAL 67 HN VAL 67 -8.078 -0.651 9.997 519 HA VAL 67 HA VAL 67 -7.906 -2.182 7.848 520 HB VAL 67 HB VAL 67 -6.658 0.574 7.807 521 1HG1 VAL 67 HG11 VAL 67 -7.630 0.572 5.471 522 2HG1 VAL 67 HG12 VAL 67 -7.953 -1.149 5.679 523 3HG1 VAL 67 HG13 VAL 67 -6.293 -0.554 5.707 524 1HG2 VAL 67 HG21 VAL 67 -8.786 0.812 8.848 525 2HG2 VAL 67 HG22 VAL 67 -9.523 -0.398 7.797 526 3HG2 VAL 67 HG23 VAL 67 -9.083 1.182 7.149 527 H ALA 68 HN ALA 68 -4.991 -0.646 9.250 528 HA ALA 68 HA ALA 68 -3.073 -1.669 7.382 529 1HB ALA 68 HB1 ALA 68 -2.471 0.126 8.911 530 2HB ALA 68 HB2 ALA 68 -1.430 -1.261 9.231 531 3HB ALA 68 HB3 ALA 68 -2.784 -0.909 10.306 532 H SER 69 HN SER 69 -4.508 -2.996 10.340 533 HA SER 69 HA SER 69 -2.931 -5.384 10.645 534 1HB SER 69 HB2 SER 69 -4.607 -4.465 12.253 535 2HB SER 69 HB1 SER 69 -5.879 -5.036 11.190 536 HG SER 69 HG SER 69 -5.143 -7.118 11.461 537 H LEU 70 HN LEU 70 -6.287 -5.307 9.560 538 HA LEU 70 HA LEU 70 -6.755 -7.552 8.214 539 1HB LEU 70 HB2 LEU 70 -7.568 -4.728 7.697 540 2HB LEU 70 HB1 LEU 70 -8.163 -6.024 6.660 541 HG LEU 70 HG LEU 70 -9.001 -7.230 8.664 542 1HD1 LEU 70 HD11 LEU 70 -7.921 -4.784 10.080 543 2HD1 LEU 70 HD12 LEU 70 -7.542 -6.478 10.400 544 3HD1 LEU 70 HD13 LEU 70 -9.136 -5.840 10.799 545 1HD2 LEU 70 HD21 LEU 70 -10.844 -5.651 9.181 546 2HD2 LEU 70 HD22 LEU 70 -10.501 -5.722 7.454 547 3HD2 LEU 70 HD23 LEU 70 -9.930 -4.354 8.409 548 H HIS 71 HN HIS 71 -5.988 -4.662 6.278 549 HA HIS 71 HA HIS 71 -5.759 -5.988 3.984 550 1HB HIS 71 HB2 HIS 71 -5.886 -3.659 3.729 551 2HB HIS 71 HB1 HIS 71 -4.574 -3.369 4.858 552 HD1 HIS 71 HD1 HIS 71 -5.305 -3.521 1.302 553 HD2 HIS 71 HD2 HIS 71 -1.927 -4.104 3.673 554 HE1 HIS 71 HE1 HIS 71 -3.304 -3.354 -0.239 555 H HIS 72 HN HIS 72 -2.899 -4.938 5.916 556 HA HIS 72 HA HIS 72 -1.080 -6.268 4.206 557 1HB HIS 72 HB2 HIS 72 -0.217 -4.526 5.700 558 2HB HIS 72 HB1 HIS 72 -0.724 -5.444 7.117 559 HD1 HIS 72 HD1 HIS 72 0.629 -7.640 7.664 560 HD2 HIS 72 HD2 HIS 72 2.235 -5.346 4.576 561 HE1 HIS 72 HE1 HIS 72 2.979 -8.503 7.278 562 H GLN 73 HN GLN 73 -3.257 -7.390 6.489 563 HA GLN 73 HA GLN 73 -2.034 -9.787 7.428 564 1HB GLN 73 HB2 GLN 73 -4.480 -8.785 7.863 565 2HB GLN 73 HB1 GLN 73 -4.917 -9.870 6.542 566 1HG GLN 73 HG2 GLN 73 -3.712 -11.710 7.833 567 2HG GLN 73 HG1 GLN 73 -3.653 -10.589 9.194 568 1HE2 GLN 73 HE21 GLN 73 -6.126 -9.371 9.166 569 2HE2 GLN 73 HE22 GLN 73 -7.365 -10.521 9.329 570 H GLN 74 HN GLN 74 -4.111 -9.258 4.555 571 HA GLN 74 HA GLN 74 -3.803 -11.635 3.233 572 1HB GLN 74 HB2 GLN 74 -3.606 -8.880 1.964 573 2HB GLN 74 HB1 GLN 74 -3.981 -10.369 1.097 574 1HG GLN 74 HG2 GLN 74 -5.604 -9.307 3.426 575 2HG GLN 74 HG1 GLN 74 -6.021 -9.053 1.731 576 1HE2 GLN 74 HE21 GLN 74 -7.155 -10.830 4.112 577 2HE2 GLN 74 HE22 GLN 74 -7.437 -12.317 3.344 578 H LEU 75 HN LEU 75 -1.741 -8.784 2.344 579 HA LEU 75 HA LEU 75 0.523 -9.882 1.112 580 1HB LEU 75 HB2 LEU 75 0.359 -7.773 3.255 581 2HB LEU 75 HB1 LEU 75 1.855 -8.189 2.436 582 HG LEU 75 HG LEU 75 0.815 -6.243 1.347 583 1HD1 LEU 75 HD11 LEU 75 0.266 -8.405 -0.645 584 2HD1 LEU 75 HD12 LEU 75 1.896 -8.287 0.022 585 3HD1 LEU 75 HD13 LEU 75 1.184 -6.911 -0.814 586 1HD2 LEU 75 HD21 LEU 75 -1.373 -6.228 0.502 587 2HD2 LEU 75 HD22 LEU 75 -1.545 -7.034 2.058 588 3HD2 LEU 75 HD23 LEU 75 -1.514 -7.983 0.573 589 H ASP 76 HN ASP 76 0.235 -9.677 4.671 590 HA ASP 76 HA ASP 76 2.410 -10.866 5.707 591 1HB ASP 76 HB2 ASP 76 -0.003 -10.557 6.687 592 2HB ASP 76 HB1 ASP 76 -0.155 -12.279 6.365 593 H SER 77 HN SER 77 -0.218 -13.072 4.768 594 HA SER 77 HA SER 77 1.625 -15.259 4.243 595 1HB SER 77 HB2 SER 77 -1.371 -14.942 3.986 596 2HB SER 77 HB1 SER 77 -0.506 -16.448 3.662 597 HG SER 77 HG SER 77 0.235 -16.410 5.805 598 H LEU 78 HN LEU 78 -0.295 -12.960 2.281 599 HA LEU 78 HA LEU 78 -0.343 -14.347 -0.097 600 1HB LEU 78 HB2 LEU 78 -0.864 -11.709 0.589 601 2HB LEU 78 HB1 LEU 78 0.488 -11.516 -0.516 602 HG LEU 78 HG LEU 78 -1.903 -13.230 -1.175 603 1HD1 LEU 78 HD11 LEU 78 -2.623 -10.870 -0.737 604 2HD1 LEU 78 HD12 LEU 78 -2.810 -11.321 -2.430 605 3HD1 LEU 78 HD13 LEU 78 -1.450 -10.316 -1.931 606 1HD2 LEU 78 HD21 LEU 78 0.267 -11.897 -2.825 607 2HD2 LEU 78 HD22 LEU 78 -1.083 -12.813 -3.495 608 3HD2 LEU 78 HD23 LEU 78 0.121 -13.623 -2.493 609 H ILE 79 HN ILE 79 2.300 -12.232 1.101 610 HA ILE 79 HA ILE 79 4.215 -12.756 -0.885 611 HB ILE 79 HB ILE 79 4.204 -12.055 2.047 612 1HG1 ILE 79 HG12 ILE 79 3.775 -10.288 0.401 613 2HG1 ILE 79 HG11 ILE 79 5.290 -9.996 1.245 614 1HG2 ILE 79 HG21 ILE 79 6.653 -12.817 0.457 615 2HG2 ILE 79 HG22 ILE 79 6.132 -13.427 2.030 616 3HG2 ILE 79 HG23 ILE 79 6.726 -11.774 1.879 617 1HD1 ILE 79 HD11 ILE 79 6.090 -9.664 -0.869 618 2HD1 ILE 79 HD12 ILE 79 4.804 -10.609 -1.613 619 3HD1 ILE 79 HD13 ILE 79 6.198 -11.422 -0.908 620 H SER 80 HN SER 80 3.712 -14.399 2.277 621 HA SER 80 HA SER 80 5.557 -16.467 1.929 622 1HB SER 80 HB2 SER 80 4.367 -17.688 3.566 623 2HB SER 80 HB1 SER 80 3.997 -16.005 3.932 624 HG SER 80 HG SER 80 2.396 -18.024 2.878 625 H GLU 81 HN GLU 81 2.076 -16.577 0.906 626 HA GLU 81 HA GLU 81 2.483 -19.117 -0.405 627 1HB GLU 81 HB2 GLU 81 0.275 -17.070 -0.742 628 2HB GLU 81 HB1 GLU 81 0.221 -18.741 -1.303 629 1HG GLU 81 HG2 GLU 81 0.699 -18.010 1.594 630 2HG GLU 81 HG1 GLU 81 -0.914 -18.294 0.936 631 H ALA 82 HN ALA 82 2.648 -15.735 -1.538 632 HA ALA 82 HA ALA 82 2.436 -16.519 -4.224 633 1HB ALA 82 HB1 ALA 82 1.974 -14.242 -3.839 634 2HB ALA 82 HB2 ALA 82 3.510 -14.188 -4.706 635 3HB ALA 82 HB3 ALA 82 3.479 -13.992 -2.953 636 H GLU 83 HN GLU 83 5.151 -16.047 -2.018 637 HA GLU 83 HA GLU 83 7.202 -16.105 -3.980 638 1HB GLU 83 HB2 GLU 83 7.248 -16.704 -1.012 639 2HB GLU 83 HB1 GLU 83 8.710 -16.756 -1.996 640 1HG GLU 83 HG2 GLU 83 8.382 -14.418 -2.653 641 2HG GLU 83 HG1 GLU 83 6.877 -14.355 -1.734 642 H THR 84 HN THR 84 5.455 -18.557 -2.221 643 HA THR 84 HA THR 84 7.096 -20.806 -2.787 644 HB THR 84 HB THR 84 4.313 -21.557 -2.924 645 HG1 THR 84 HG1 THR 84 3.965 -19.389 -2.253 646 1HG2 THR 84 HG21 THR 84 6.062 -21.474 -0.454 647 2HG2 THR 84 HG22 THR 84 6.236 -22.704 -1.708 648 3HG2 THR 84 HG23 THR 84 4.732 -22.582 -0.795 649 H ARG 85 HN ARG 85 4.388 -19.366 -4.632 650 HA ARG 85 HA ARG 85 4.070 -21.001 -6.778 651 1HB ARG 85 HB2 ARG 85 2.894 -18.905 -6.704 652 2HB ARG 85 HB1 ARG 85 4.391 -17.994 -6.843 653 1HG ARG 85 HG2 ARG 85 3.890 -19.938 -9.051 654 2HG ARG 85 HG1 ARG 85 2.778 -18.576 -8.981 655 1HD ARG 85 HD2 ARG 85 4.474 -16.999 -9.347 656 2HD ARG 85 HD1 ARG 85 5.754 -18.078 -8.801 657 HE ARG 85 HE ARG 85 4.728 -19.333 -11.054 658 1HH1 ARG 85 HH21 ARG 85 5.968 -16.220 -10.241 659 2HH1 ARG 85 HH22 ARG 85 6.591 -15.907 -11.827 660 1HH2 ARG 85 HH11 ARG 85 5.535 -18.941 -13.130 661 2HH2 ARG 85 HH12 ARG 85 6.346 -17.447 -13.462 662 H GLY 86 HN GLY 86 6.928 -18.886 -6.315 663 1HA GLY 86 HA2 GLY 86 9.088 -19.697 -7.169 664 2HA GLY 86 HA1 GLY 86 8.251 -20.381 -8.560 665 H ILE 87 HN ILE 87 8.409 -17.164 -6.969 666 HA ILE 87 HA ILE 87 7.970 -15.658 -9.368 667 HB ILE 87 HB ILE 87 9.541 -14.783 -6.925 668 1HG1 ILE 87 HG12 ILE 87 7.489 -15.853 -6.195 669 2HG1 ILE 87 HG11 ILE 87 7.330 -14.113 -5.984 670 1HG2 ILE 87 HG21 ILE 87 7.788 -12.729 -7.862 671 2HG2 ILE 87 HG22 ILE 87 8.584 -13.378 -9.291 672 3HG2 ILE 87 HG23 ILE 87 9.547 -12.753 -7.952 673 1HD1 ILE 87 HD11 ILE 87 6.058 -15.895 -8.049 674 2HD1 ILE 87 HD12 ILE 87 6.238 -14.171 -8.356 675 3HD1 ILE 87 HD13 ILE 87 5.289 -14.728 -6.981 676 H THR 88 HN THR 88 10.285 -13.887 -9.088 677 HA THR 88 HA THR 88 12.053 -15.110 -11.015 678 HB THR 88 HB THR 88 12.750 -12.727 -9.280 679 HG1 THR 88 HG1 THR 88 10.708 -12.397 -10.188 680 1HG2 THR 88 HG21 THR 88 14.557 -13.581 -10.678 681 2HG2 THR 88 HG22 THR 88 13.976 -12.055 -11.345 682 3HG2 THR 88 HG23 THR 88 13.500 -13.581 -12.090 683 H SER 89 HN SER 89 12.016 -17.012 -9.231 684 HA SER 89 HA SER 89 13.206 -18.243 -7.627 685 1HB SER 89 HB2 SER 89 15.613 -16.815 -8.792 686 2HB SER 89 HB1 SER 89 15.564 -18.424 -8.077 687 HG SER 89 HG SER 89 15.410 -18.001 -10.546 688 H TYR 90 HN TYR 90 12.446 -15.348 -7.087 689 HA TYR 90 HA TYR 90 12.750 -13.698 -5.489 690 1HB TYR 90 HB2 TYR 90 13.072 -14.675 -3.179 691 2HB TYR 90 HB1 TYR 90 11.734 -15.340 -4.121 692 HD1 TYR 90 HD1 TYR 90 11.798 -17.599 -4.993 693 HD2 TYR 90 HD2 TYR 90 15.118 -15.987 -2.796 694 HE1 TYR 90 HE1 TYR 90 12.751 -19.877 -4.765 695 HE2 TYR 90 HE2 TYR 90 16.073 -18.265 -2.569 696 HH TYR 90 HH TYR 90 15.650 -20.467 -2.817 697 H ASN 91 HN ASN 91 14.252 -12.213 -5.032 698 HA ASN 91 HA ASN 91 17.065 -13.091 -4.437 699 1HB ASN 91 HB2 ASN 91 16.950 -10.649 -6.070 700 2HB ASN 91 HB1 ASN 91 18.014 -12.038 -6.157 701 1HD2 ASN 91 HD21 ASN 91 17.827 -12.928 -8.195 702 2HD2 ASN 91 HD22 ASN 91 16.364 -13.210 -9.008 703 HA PRO 92 HA PRO 92 16.423 -8.877 -2.403 704 1HB PRO 92 HB2 PRO 92 14.249 -7.291 -3.167 705 2HB PRO 92 HB1 PRO 92 15.836 -7.265 -3.957 706 1HG PRO 92 HG2 PRO 92 13.334 -8.226 -5.075 707 2HG PRO 92 HG1 PRO 92 14.913 -8.164 -5.862 708 1HD PRO 92 HD2 PRO 92 13.560 -10.472 -4.565 709 2HD PRO 92 HD1 PRO 92 14.836 -10.472 -5.774 710 H LEU 93 HN LEU 93 13.367 -10.628 -2.774 711 HA LEU 93 HA LEU 93 11.959 -9.411 -0.691 712 1HB LEU 93 HB2 LEU 93 11.892 -12.399 -1.062 713 2HB LEU 93 HB1 LEU 93 10.586 -11.338 -0.532 714 HG LEU 93 HG LEU 93 11.214 -10.208 -2.984 715 1HD1 LEU 93 HD11 LEU 93 11.294 -13.173 -3.502 716 2HD1 LEU 93 HD12 LEU 93 12.782 -12.256 -3.258 717 3HD1 LEU 93 HD13 LEU 93 11.691 -11.847 -4.592 718 1HD2 LEU 93 HD21 LEU 93 8.943 -10.556 -2.524 719 2HD2 LEU 93 HD22 LEU 93 9.168 -12.262 -2.137 720 3HD2 LEU 93 HD23 LEU 93 9.224 -11.725 -3.813 721 H ALA 94 HN ALA 94 13.992 -12.182 -0.534 722 HA ALA 94 HA ALA 94 14.528 -13.145 1.809 723 1HB ALA 94 HB1 ALA 94 16.852 -13.086 1.480 724 2HB ALA 94 HB2 ALA 94 16.811 -11.445 0.827 725 3HB ALA 94 HB3 ALA 94 16.211 -12.795 -0.141 726 H GLY 95 HN GLY 95 15.563 -9.749 1.356 727 1HA GLY 95 HA2 GLY 95 15.920 -9.236 4.191 728 2HA GLY 95 HA1 GLY 95 15.854 -8.005 2.926 729 HA PRO 96 HA PRO 96 12.008 -7.933 5.383 730 1HB PRO 96 HB2 PRO 96 12.116 -5.059 5.784 731 2HB PRO 96 HB1 PRO 96 12.375 -6.319 7.000 732 1HG PRO 96 HG2 PRO 96 14.382 -4.630 5.728 733 2HG PRO 96 HG1 PRO 96 14.618 -5.818 7.014 734 1HD PRO 96 HD2 PRO 96 15.338 -6.081 4.207 735 2HD PRO 96 HD1 PRO 96 15.609 -7.247 5.513 736 H LEU 97 HN LEU 97 9.843 -6.453 4.621 737 HA LEU 97 HA LEU 97 10.012 -6.314 1.733 738 1HB LEU 97 HB2 LEU 97 7.851 -5.525 3.716 739 2HB LEU 97 HB1 LEU 97 7.656 -5.280 1.983 740 HG LEU 97 HG LEU 97 7.894 -7.662 1.563 741 1HD1 LEU 97 HD11 LEU 97 8.584 -7.745 4.502 742 2HD1 LEU 97 HD12 LEU 97 9.493 -8.404 3.140 743 3HD1 LEU 97 HD13 LEU 97 7.998 -9.179 3.659 744 1HD2 LEU 97 HD21 LEU 97 5.943 -8.504 2.949 745 2HD2 LEU 97 HD22 LEU 97 5.646 -6.985 2.104 746 3HD2 LEU 97 HD23 LEU 97 6.005 -6.978 3.831 747 H ARG 98 HN ARG 98 9.405 -3.737 4.166 748 HA ARG 98 HA ARG 98 9.436 -1.466 2.667 749 1HB ARG 98 HB2 ARG 98 11.042 -1.985 5.180 750 2HB ARG 98 HB1 ARG 98 10.831 -0.379 4.485 751 1HG ARG 98 HG2 ARG 98 8.398 -0.578 4.697 752 2HG ARG 98 HG1 ARG 98 8.571 -2.215 5.333 753 1HD ARG 98 HD2 ARG 98 10.021 -1.211 7.173 754 2HD ARG 98 HD1 ARG 98 9.482 0.371 6.612 755 HE ARG 98 HE ARG 98 7.123 -1.027 6.995 756 1HH1 ARG 98 HH21 ARG 98 9.949 -0.339 8.845 757 2HH1 ARG 98 HH22 ARG 98 9.117 -0.335 10.364 758 1HH2 ARG 98 HH11 ARG 98 6.018 -1.026 8.969 759 2HH2 ARG 98 HH12 ARG 98 6.892 -0.724 10.434 760 H VAL 99 HN VAL 99 12.010 -3.692 2.943 761 HA VAL 99 HA VAL 99 14.097 -1.924 1.771 762 HB VAL 99 HB VAL 99 14.017 -4.748 2.835 763 1HG1 VAL 99 HG11 VAL 99 16.383 -5.048 1.921 764 2HG1 VAL 99 HG12 VAL 99 16.069 -3.685 0.849 765 3HG1 VAL 99 HG13 VAL 99 15.116 -5.159 0.701 766 1HG2 VAL 99 HG21 VAL 99 14.682 -2.849 4.269 767 2HG2 VAL 99 HG22 VAL 99 15.941 -2.407 3.119 768 3HG2 VAL 99 HG23 VAL 99 16.055 -3.923 4.003 769 H GLN 100 HN GLN 100 12.066 -4.643 0.787 770 HA GLN 100 HA GLN 100 13.072 -5.143 -1.762 771 1HB GLN 100 HB2 GLN 100 10.305 -5.216 -0.597 772 2HB GLN 100 HB1 GLN 100 10.488 -5.454 -2.331 773 1HG GLN 100 HG2 GLN 100 10.527 -7.606 -1.177 774 2HG GLN 100 HG1 GLN 100 12.097 -7.275 -1.905 775 1HE2 GLN 100 HE21 GLN 100 13.578 -5.914 -0.204 776 2HE2 GLN 100 HE22 GLN 100 13.606 -6.573 1.359 777 H ALA 101 HN ALA 101 10.445 -2.765 -1.071 778 HA ALA 101 HA ALA 101 10.905 -1.635 -3.763 779 1HB ALA 101 HB1 ALA 101 8.893 -1.047 -1.570 780 2HB ALA 101 HB2 ALA 101 8.586 -1.761 -3.153 781 3HB ALA 101 HB3 ALA 101 9.002 -0.051 -3.022 782 H ASN 102 HN ASN 102 11.592 -0.597 -0.444 783 HA ASN 102 HA ASN 102 12.320 2.080 -1.287 784 1HB ASN 102 HB2 ASN 102 11.856 1.355 1.119 785 2HB ASN 102 HB1 ASN 102 13.466 0.626 1.106 786 1HD2 ASN 102 HD21 ASN 102 14.672 2.066 2.389 787 2HD2 ASN 102 HD22 ASN 102 14.797 3.731 2.085 788 H ASN 103 HN ASN 103 13.393 0.130 -3.067 789 HA ASN 103 HA ASN 103 16.320 0.600 -2.681 790 1HB ASN 103 HB2 ASN 103 14.908 -1.972 -3.361 791 2HB ASN 103 HB1 ASN 103 16.605 -1.709 -3.764 792 1HD2 ASN 103 HD21 ASN 103 17.403 -3.265 -2.200 793 2HD2 ASN 103 HD22 ASN 103 17.298 -2.989 -0.528 794 HA PRO 104 HA PRO 104 15.107 2.233 -6.868 795 1HB PRO 104 HB2 PRO 104 17.863 3.237 -6.939 796 2HB PRO 104 HB1 PRO 104 16.346 4.147 -6.994 797 1HG PRO 104 HG2 PRO 104 18.115 4.072 -4.805 798 2HG PRO 104 HG1 PRO 104 16.435 4.626 -4.748 799 1HD PRO 104 HD2 PRO 104 17.591 2.143 -3.681 800 2HD PRO 104 HD1 PRO 104 15.998 2.856 -3.346 801 H GLN 105 HN GLN 105 17.732 0.175 -5.801 802 HA GLN 105 HA GLN 105 18.571 -0.485 -8.524 803 1HB GLN 105 HB2 GLN 105 19.109 -2.016 -5.958 804 2HB GLN 105 HB1 GLN 105 20.003 -2.147 -7.473 805 1HG GLN 105 HG2 GLN 105 19.794 0.372 -5.797 806 2HG GLN 105 HG1 GLN 105 21.184 -0.714 -5.818 807 1HE2 GLN 105 HE21 GLN 105 21.203 -1.291 -8.649 808 2HE2 GLN 105 HE22 GLN 105 21.623 0.135 -9.469 809 H GLN 106 HN GLN 106 17.101 -2.531 -5.962 810 HA GLN 106 HA GLN 106 15.958 -4.269 -8.077 811 1HB GLN 106 HB2 GLN 106 15.829 -4.516 -5.054 812 2HB GLN 106 HB1 GLN 106 15.346 -5.748 -6.220 813 1HG GLN 106 HG2 GLN 106 18.144 -4.596 -6.057 814 2HG GLN 106 HG1 GLN 106 17.653 -6.092 -5.263 815 1HE2 GLN 106 HE21 GLN 106 19.658 -6.210 -7.241 816 2HE2 GLN 106 HE22 GLN 106 19.041 -6.978 -8.623 817 H GLN 107 HN GLN 107 14.472 -2.493 -8.799 818 HA GLN 107 HA GLN 107 12.261 -1.843 -6.922 819 1HB GLN 107 HB2 GLN 107 11.519 -0.315 -8.724 820 2HB GLN 107 HB1 GLN 107 13.200 -0.021 -8.277 821 1HG GLN 107 HG2 GLN 107 13.903 -1.488 -10.188 822 2HG GLN 107 HG1 GLN 107 12.210 -1.585 -10.677 823 1HE2 GLN 107 HE21 GLN 107 13.743 -0.466 -12.595 824 2HE2 GLN 107 HE22 GLN 107 13.599 1.225 -12.625 825 H GLY 108 HN GLY 108 12.954 -4.248 -9.216 826 1HA GLY 108 HA2 GLY 108 10.645 -4.649 -10.705 827 2HA GLY 108 HA1 GLY 108 11.545 -5.982 -9.995 828 H LEU 109 HN LEU 109 11.140 -6.150 -7.582 829 HA LEU 109 HA LEU 109 8.496 -6.995 -6.985 830 1HB LEU 109 HB2 LEU 109 10.618 -5.914 -5.124 831 2HB LEU 109 HB1 LEU 109 9.083 -6.565 -4.559 832 HG LEU 109 HG LEU 109 11.106 -8.148 -4.606 833 1HD1 LEU 109 HD11 LEU 109 8.519 -8.947 -5.956 834 2HD1 LEU 109 HD12 LEU 109 8.870 -8.982 -4.234 835 3HD1 LEU 109 HD13 LEU 109 9.718 -10.068 -5.331 836 1HD2 LEU 109 HD21 LEU 109 11.598 -9.261 -6.704 837 2HD2 LEU 109 HD22 LEU 109 11.856 -7.534 -6.911 838 3HD2 LEU 109 HD23 LEU 109 10.396 -8.293 -7.553 839 H ARG 110 HN ARG 110 9.850 -3.744 -6.258 840 HA ARG 110 HA ARG 110 7.647 -2.542 -5.114 841 1HB ARG 110 HB2 ARG 110 9.784 -1.354 -5.800 842 2HB ARG 110 HB1 ARG 110 9.102 -1.225 -7.420 843 1HG ARG 110 HG2 ARG 110 7.240 0.074 -6.626 844 2HG ARG 110 HG1 ARG 110 7.701 -0.198 -4.946 845 1HD ARG 110 HD2 ARG 110 8.386 2.058 -5.842 846 2HD ARG 110 HD1 ARG 110 9.729 1.095 -5.225 847 HE ARG 110 HE ARG 110 9.644 0.460 -7.921 848 1HH1 ARG 110 HH21 ARG 110 9.782 3.342 -6.032 849 2HH1 ARG 110 HH22 ARG 110 10.671 4.235 -7.220 850 1HH2 ARG 110 HH11 ARG 110 10.802 1.611 -9.482 851 2HH2 ARG 110 HH12 ARG 110 11.249 3.256 -9.173 852 H ARG 111 HN ARG 111 7.914 -3.437 -8.522 853 HA ARG 111 HA ARG 111 5.199 -2.341 -9.063 854 1HB ARG 111 HB2 ARG 111 6.920 -4.086 -10.865 855 2HB ARG 111 HB1 ARG 111 5.545 -3.098 -11.352 856 1HG ARG 111 HG2 ARG 111 6.778 -1.147 -11.390 857 2HG ARG 111 HG1 ARG 111 7.762 -1.612 -10.005 858 1HD ARG 111 HD2 ARG 111 9.147 -3.029 -11.354 859 2HD ARG 111 HD1 ARG 111 8.061 -2.888 -12.734 860 HE ARG 111 HE ARG 111 8.820 -0.273 -12.221 861 1HH1 ARG 111 HH21 ARG 111 10.414 -3.285 -12.745 862 2HH1 ARG 111 HH22 ARG 111 11.813 -2.570 -13.475 863 1HH2 ARG 111 HH11 ARG 111 10.638 0.678 -13.170 864 2HH2 ARG 111 HH12 ARG 111 11.940 -0.327 -13.715 865 H GLU 112 HN GLU 112 6.739 -5.474 -8.459 866 HA GLU 112 HA GLU 112 4.344 -6.979 -9.042 867 1HB GLU 112 HB2 GLU 112 6.778 -7.863 -8.613 868 2HB GLU 112 HB1 GLU 112 6.327 -7.795 -6.910 869 1HG GLU 112 HG2 GLU 112 4.373 -9.237 -7.370 870 2HG GLU 112 HG1 GLU 112 4.843 -9.323 -9.069 871 H TYR 113 HN TYR 113 5.628 -5.299 -6.269 872 HA TYR 113 HA TYR 113 3.818 -6.088 -4.250 873 1HB TYR 113 HB2 TYR 113 5.315 -3.544 -4.831 874 2HB TYR 113 HB1 TYR 113 4.077 -3.504 -3.578 875 HD1 TYR 113 HD1 TYR 113 5.445 -3.268 -1.644 876 HD2 TYR 113 HD2 TYR 113 6.218 -6.440 -4.439 877 HE1 TYR 113 HE1 TYR 113 7.017 -4.307 -0.037 878 HE2 TYR 113 HE2 TYR 113 7.784 -7.475 -2.828 879 HH TYR 113 HH TYR 113 8.719 -5.848 0.136 880 H GLN 114 HN GLN 114 3.456 -3.068 -6.142 881 HA GLN 114 HA GLN 114 0.873 -2.375 -5.618 882 1HB GLN 114 HB2 GLN 114 2.030 -2.463 -8.417 883 2HB GLN 114 HB1 GLN 114 0.717 -1.425 -7.863 884 1HG GLN 114 HG2 GLN 114 2.226 -0.316 -6.281 885 2HG GLN 114 HG1 GLN 114 3.541 -1.384 -6.763 886 1HE2 GLN 114 HE21 GLN 114 1.523 -0.604 -9.416 887 2HE2 GLN 114 HE22 GLN 114 2.489 0.619 -10.090 888 H GLN 115 HN GLN 115 1.833 -5.112 -7.647 889 HA GLN 115 HA GLN 115 -0.880 -5.624 -8.574 890 1HB GLN 115 HB2 GLN 115 1.547 -7.445 -8.540 891 2HB GLN 115 HB1 GLN 115 0.047 -7.757 -9.411 892 1HG GLN 115 HG2 GLN 115 0.376 -5.657 -10.694 893 2HG GLN 115 HG1 GLN 115 1.909 -5.406 -9.859 894 1HE2 GLN 115 HE21 GLN 115 0.223 -7.660 -12.076 895 2HE2 GLN 115 HE22 GLN 115 1.641 -8.317 -12.739 896 H LEU 116 HN LEU 116 1.154 -6.884 -5.940 897 HA LEU 116 HA LEU 116 -0.984 -8.742 -5.091 898 1HB LEU 116 HB2 LEU 116 1.600 -8.087 -3.651 899 2HB LEU 116 HB1 LEU 116 0.585 -9.512 -3.435 900 HG LEU 116 HG LEU 116 2.028 -8.801 -6.008 901 1HD1 LEU 116 HD11 LEU 116 2.683 -10.851 -3.870 902 2HD1 LEU 116 HD12 LEU 116 3.612 -9.394 -4.226 903 3HD1 LEU 116 HD13 LEU 116 3.516 -10.692 -5.416 904 1HD2 LEU 116 HD21 LEU 116 0.301 -11.118 -5.116 905 2HD2 LEU 116 HD22 LEU 116 1.468 -11.299 -6.425 906 3HD2 LEU 116 HD23 LEU 116 0.152 -10.138 -6.575 907 H TRP 117 HN TRP 117 0.185 -5.557 -4.363 908 HA TRP 117 HA TRP 117 -1.054 -5.365 -1.737 909 1HB TRP 117 HB2 TRP 117 0.303 -3.484 -3.652 910 2HB TRP 117 HB1 TRP 117 -0.691 -2.794 -2.371 911 HD1 TRP 117 HD1 TRP 117 2.208 -5.339 -2.724 912 HE1 TRP 117 HE1 TRP 117 3.716 -5.117 -0.644 913 HE3 TRP 117 HE3 TRP 117 -0.422 -1.838 -0.100 914 HZ2 TRP 117 HZ2 TRP 117 3.795 -3.645 1.810 915 HZ3 TRP 117 HZ3 TRP 117 0.391 -1.042 2.102 916 HH2 TRP 117 HH2 TRP 117 2.494 -1.941 3.059 917 H LEU 118 HN LEU 118 -1.978 -4.503 -5.101 918 HA LEU 118 HA LEU 118 -4.444 -3.249 -4.162 919 1HB LEU 118 HB2 LEU 118 -3.539 -4.029 -6.948 920 2HB LEU 118 HB1 LEU 118 -4.966 -3.064 -6.577 921 HG LEU 118 HG LEU 118 -2.181 -2.283 -5.667 922 1HD1 LEU 118 HD11 LEU 118 -2.206 -2.396 -8.122 923 2HD1 LEU 118 HD12 LEU 118 -2.146 -0.717 -7.583 924 3HD1 LEU 118 HD13 LEU 118 -3.664 -1.404 -8.163 925 1HD2 LEU 118 HD21 LEU 118 -3.389 0.031 -5.726 926 2HD2 LEU 118 HD22 LEU 118 -3.767 -1.058 -4.399 927 3HD2 LEU 118 HD23 LEU 118 -4.878 -0.909 -5.759 928 H ALA 119 HN ALA 119 -3.382 -6.422 -5.225 929 HA ALA 119 HA ALA 119 -6.095 -7.456 -5.598 930 1HB ALA 119 HB1 ALA 119 -5.027 -9.663 -5.619 931 2HB ALA 119 HB2 ALA 119 -3.538 -8.984 -4.961 932 3HB ALA 119 HB3 ALA 119 -4.052 -8.565 -6.595 933 H ALA 120 HN ALA 120 -4.114 -6.630 -2.952 934 HA ALA 120 HA ALA 120 -5.828 -8.191 -1.050 935 1HB ALA 120 HB1 ALA 120 -3.182 -6.766 -0.820 936 2HB ALA 120 HB2 ALA 120 -3.598 -8.408 -0.333 937 3HB ALA 120 HB3 ALA 120 -4.165 -7.034 0.623 938 H PHE 121 HN PHE 121 -5.751 -5.313 -2.728 939 HA PHE 121 HA PHE 121 -7.180 -3.816 -0.563 940 1HB PHE 121 HB2 PHE 121 -5.060 -2.847 -1.906 941 2HB PHE 121 HB1 PHE 121 -6.312 -2.437 -3.077 942 HD1 PHE 121 HD1 PHE 121 -8.341 -1.100 -2.273 943 HD2 PHE 121 HD2 PHE 121 -4.763 -1.548 0.059 944 HE1 PHE 121 HE1 PHE 121 -9.001 0.842 -0.886 945 HE2 PHE 121 HE2 PHE 121 -5.421 0.400 1.443 946 HZ PHE 121 HZ PHE 121 -7.542 1.594 0.972 947 H ALA 122 HN ALA 122 -7.614 -5.392 -3.593 948 HA ALA 122 HA ALA 122 -10.318 -4.093 -3.907 949 1HB ALA 122 HB1 ALA 122 -9.925 -5.856 -6.063 950 2HB ALA 122 HB2 ALA 122 -8.327 -5.165 -5.795 951 3HB ALA 122 HB3 ALA 122 -9.702 -4.109 -6.119 952 H ALA 123 HN ALA 123 -8.797 -6.957 -2.811 953 HA ALA 123 HA ALA 123 -11.375 -8.450 -2.997 954 1HB ALA 123 HB1 ALA 123 -8.671 -9.303 -1.899 955 2HB ALA 123 HB2 ALA 123 -9.260 -9.658 -3.523 956 3HB ALA 123 HB3 ALA 123 -10.074 -10.349 -2.120 957 H LEU 124 HN LEU 124 -10.255 -6.069 -1.219 958 HA LEU 124 HA LEU 124 -10.045 -6.860 1.373 959 1HB LEU 124 HB2 LEU 124 -10.684 -4.384 -0.020 960 2HB LEU 124 HB1 LEU 124 -11.283 -4.383 1.629 961 HG LEU 124 HG LEU 124 -8.437 -5.076 0.874 962 1HD1 LEU 124 HD11 LEU 124 -9.458 -2.422 1.907 963 2HD1 LEU 124 HD12 LEU 124 -9.078 -2.727 0.215 964 3HD1 LEU 124 HD13 LEU 124 -7.805 -2.803 1.432 965 1HD2 LEU 124 HD21 LEU 124 -9.753 -4.408 3.500 966 2HD2 LEU 124 HD22 LEU 124 -8.017 -4.341 3.268 967 3HD2 LEU 124 HD23 LEU 124 -8.852 -5.867 3.076 968 HA PRO 125 HA PRO 125 -14.891 -5.753 2.060 969 1HB PRO 125 HB2 PRO 125 -16.200 -6.345 -0.442 970 2HB PRO 125 HB1 PRO 125 -16.108 -4.783 0.383 971 1HG PRO 125 HG2 PRO 125 -14.576 -5.723 -1.946 972 2HG PRO 125 HG1 PRO 125 -14.771 -4.081 -1.329 973 1HD PRO 125 HD2 PRO 125 -12.428 -5.541 -1.150 974 2HD PRO 125 HD1 PRO 125 -12.846 -4.170 -0.107 975 H GLY 126 HN GLY 126 -14.630 -8.075 -0.620 976 1HA GLY 126 HA2 GLY 126 -15.988 -10.036 1.108 977 2HA GLY 126 HA1 GLY 126 -15.584 -10.278 -0.607 978 H SER 127 HN SER 127 -14.094 -9.725 2.534 979 HA SER 127 HA SER 127 -12.889 -12.078 3.045 980 1HB SER 127 HB2 SER 127 -11.428 -10.787 0.832 981 2HB SER 127 HB1 SER 127 -10.406 -11.408 2.115 982 HG SER 127 HG SER 127 -10.988 -13.384 1.621 983 H ALA 128 HN ALA 128 -11.197 -8.979 2.646 984 HA ALA 128 HA ALA 128 -10.926 -8.869 5.640 985 1HB ALA 128 HB1 ALA 128 -8.762 -7.611 5.061 986 2HB ALA 128 HB2 ALA 128 -8.972 -8.215 3.415 987 3HB ALA 128 HB3 ALA 128 -8.763 -9.347 4.754 988 H LYS 129 HN LYS 129 -12.317 -7.202 6.295 989 HA LYS 129 HA LYS 129 -11.841 -4.535 5.958 990 1HB LYS 129 HB2 LYS 129 -12.043 -4.258 3.704 991 2HB LYS 129 HB1 LYS 129 -13.170 -5.585 3.525 992 1HG LYS 129 HG2 LYS 129 -15.007 -4.214 4.274 993 2HG LYS 129 HG1 LYS 129 -13.918 -2.947 4.825 994 1HD LYS 129 HD2 LYS 129 -13.884 -3.756 1.927 995 2HD LYS 129 HD1 LYS 129 -15.192 -2.730 2.517 996 1HE LYS 129 HE2 LYS 129 -13.596 -1.066 3.307 997 2HE LYS 129 HE1 LYS 129 -12.241 -2.108 2.887 998 1HZ LYS 129 HZ1 LYS 129 -12.313 -1.406 0.805 999 2HZ LYS 129 HZ2 LYS 129 -13.480 -0.260 1.263 1000 3HZ LYS 129 HZ3 LYS 129 -13.962 -1.775 0.665 1001 H ASP 130 HN ASP 130 -14.465 -6.788 5.669 1002 HA ASP 130 HA ASP 130 -16.694 -6.786 6.754 1003 1HB ASP 130 HB2 ASP 130 -15.320 -5.073 8.819 1004 2HB ASP 130 HB1 ASP 130 -16.638 -6.223 9.032 1005 HA PRO 131 HA PRO 131 -17.330 -2.440 5.124 1006 1HB PRO 131 HB2 PRO 131 -19.422 -3.491 3.423 1007 2HB PRO 131 HB1 PRO 131 -17.866 -2.820 2.898 1008 1HG PRO 131 HG2 PRO 131 -18.652 -5.568 2.765 1009 2HG PRO 131 HG1 PRO 131 -17.039 -4.914 2.469 1010 1HD PRO 131 HD2 PRO 131 -18.005 -6.416 4.815 1011 2HD PRO 131 HD1 PRO 131 -16.334 -6.065 4.337 1012 H SER 132 HN SER 132 -18.562 -4.468 7.188 1013 HA SER 132 HA SER 132 -21.249 -3.266 7.525 1014 1HB SER 132 HB2 SER 132 -20.917 -5.631 8.168 1015 2HB SER 132 HB1 SER 132 -19.623 -5.158 9.265 1016 HG SER 132 HG SER 132 -21.424 -3.677 10.103 1017 H TRP 133 HN TRP 133 -18.448 -2.008 7.564 1018 HA TRP 133 HA TRP 133 -18.872 0.167 9.271 1019 1HB TRP 133 HB2 TRP 133 -17.788 -2.233 10.668 1020 2HB TRP 133 HB1 TRP 133 -16.915 -0.744 11.004 1021 HD1 TRP 133 HD1 TRP 133 -19.511 -2.649 12.472 1022 HE1 TRP 133 HE1 TRP 133 -21.173 -1.210 13.817 1023 HE3 TRP 133 HE3 TRP 133 -18.343 1.980 10.655 1024 HZ2 TRP 133 HZ2 TRP 133 -21.908 1.541 14.089 1025 HZ3 TRP 133 HZ3 TRP 133 -19.537 3.990 11.476 1026 HH2 TRP 133 HH2 TRP 133 -21.316 3.777 13.190 1027 H ALA 134 HN ALA 134 -17.817 -0.176 6.747 1028 HA ALA 134 HA ALA 134 -14.864 0.037 6.910 1029 1HB ALA 134 HB1 ALA 134 -15.426 -1.135 4.975 1030 2HB ALA 134 HB2 ALA 134 -15.314 0.502 4.330 1031 3HB ALA 134 HB3 ALA 134 -16.890 -0.191 4.708 Start of MODEL 10 1 HT1 PRO 1 HT2 PRO 1 4.545 8.251 -0.076 2 HT2 PRO 1 HT1 PRO 1 4.197 9.617 0.866 3 HA PRO 1 HA PRO 1 6.703 8.698 0.137 4 1HB PRO 1 HB2 PRO 1 6.919 11.310 -1.038 5 2HB PRO 1 HB1 PRO 1 7.183 9.758 -1.830 6 1HG PRO 1 HG2 PRO 1 5.005 11.581 -2.241 7 2HG PRO 1 HG1 PRO 1 5.239 9.991 -2.986 8 1HD PRO 1 HD2 PRO 1 3.393 10.743 -0.853 9 2HD PRO 1 HD1 PRO 1 3.479 9.226 -1.754 10 H VAL 2 HN VAL 2 7.412 9.058 2.190 11 HA VAL 2 HA VAL 2 7.447 11.788 3.240 12 HB VAL 2 HB VAL 2 6.443 10.967 5.451 13 1HG1 VAL 2 HG11 VAL 2 4.462 10.860 3.169 14 2HG1 VAL 2 HG12 VAL 2 5.265 12.365 3.617 15 3HG1 VAL 2 HG13 VAL 2 4.241 11.536 4.782 16 1HG2 VAL 2 HG21 VAL 2 5.227 8.815 3.702 17 2HG2 VAL 2 HG22 VAL 2 5.151 8.960 5.458 18 3HG2 VAL 2 HG23 VAL 2 6.666 8.517 4.675 19 H MET 3 HN MET 3 9.159 12.119 4.589 20 HA MET 3 HA MET 3 10.996 9.795 5.047 21 1HB MET 3 HB2 MET 3 11.492 12.762 4.935 22 2HB MET 3 HB1 MET 3 12.711 11.497 5.095 23 1HG MET 3 HG2 MET 3 11.778 10.502 2.936 24 2HG MET 3 HG1 MET 3 10.852 11.990 2.749 25 1HE MET 3 HE1 MET 3 12.242 14.401 3.311 26 2HE MET 3 HE2 MET 3 11.598 13.986 1.725 27 3HE MET 3 HE3 MET 3 13.208 14.690 1.858 28 H HIS 4 HN HIS 4 11.794 9.436 7.137 29 HA HIS 4 HA HIS 4 11.005 11.297 9.332 30 1HB HIS 4 HB2 HIS 4 10.204 9.389 10.694 31 2HB HIS 4 HB1 HIS 4 9.223 9.603 9.244 32 HD1 HIS 4 HD1 HIS 4 10.926 7.041 11.077 33 HD2 HIS 4 HD2 HIS 4 10.324 7.804 7.024 34 HE1 HIS 4 HE1 HIS 4 11.354 4.858 9.866 35 HA PRO 5 HA PRO 5 15.325 9.560 9.543 36 1HB PRO 5 HB2 PRO 5 16.401 12.160 10.062 37 2HB PRO 5 HB1 PRO 5 16.497 11.255 8.545 38 1HG PRO 5 HG2 PRO 5 14.907 13.625 9.106 39 2HG PRO 5 HG1 PRO 5 15.074 12.763 7.570 40 1HD PRO 5 HD2 PRO 5 12.812 12.737 9.401 41 2HD PRO 5 HD1 PRO 5 12.944 11.946 7.816 42 H HIS 6 HN HIS 6 16.125 8.882 11.515 43 HA HIS 6 HA HIS 6 16.119 8.568 13.853 44 1HB HIS 6 HB2 HIS 6 16.628 11.547 13.619 45 2HB HIS 6 HB1 HIS 6 16.951 10.577 15.056 46 HD1 HIS 6 HD1 HIS 6 17.715 9.948 11.363 47 HD2 HIS 6 HD2 HIS 6 19.666 10.096 15.044 48 HE1 HIS 6 HE1 HIS 6 20.129 9.321 10.921 49 H GLY 7 HN GLY 7 15.351 10.148 15.975 50 1HA GLY 7 HA2 GLY 7 12.470 9.839 15.913 51 2HA GLY 7 HA1 GLY 7 13.403 10.525 17.243 52 H ALA 8 HN ALA 8 13.864 11.898 14.085 53 HA ALA 8 HA ALA 8 12.997 14.491 15.005 54 1HB ALA 8 HB1 ALA 8 13.229 14.040 12.065 55 2HB ALA 8 HB2 ALA 8 14.645 13.586 13.006 56 3HB ALA 8 HB3 ALA 8 14.044 15.233 13.082 57 HA PRO 9 HA PRO 9 8.812 14.416 13.617 58 1HB PRO 9 HB2 PRO 9 8.691 16.607 11.779 59 2HB PRO 9 HB1 PRO 9 8.404 16.683 13.526 60 1HG PRO 9 HG2 PRO 9 10.628 17.807 12.095 61 2HG PRO 9 HG1 PRO 9 10.401 17.765 13.851 62 1HD PRO 9 HD2 PRO 9 12.119 16.058 12.155 63 2HD PRO 9 HD1 PRO 9 12.198 16.327 13.914 64 HA PRO 10 HA PRO 10 8.534 12.462 9.709 65 1HB PRO 10 HB2 PRO 10 6.036 13.412 8.727 66 2HB PRO 10 HB1 PRO 10 6.299 11.969 9.716 67 1HG PRO 10 HG2 PRO 10 5.127 14.535 10.518 68 2HG PRO 10 HG1 PRO 10 5.165 13.009 11.412 69 1HD PRO 10 HD2 PRO 10 6.756 15.351 11.919 70 2HD PRO 10 HD1 PRO 10 6.861 13.777 12.732 71 H ASN 11 HN ASN 11 10.097 13.406 8.330 72 HA ASN 11 HA ASN 11 9.735 16.093 7.263 73 1HB ASN 11 HB2 ASN 11 11.728 13.877 6.928 74 2HB ASN 11 HB1 ASN 11 11.664 15.112 5.670 75 1HD2 ASN 11 HD21 ASN 11 13.469 14.406 8.252 76 2HD2 ASN 11 HD22 ASN 11 13.778 15.955 8.874 77 H HIS 12 HN HIS 12 7.483 15.524 6.518 78 HA HIS 12 HA HIS 12 7.052 13.691 4.378 79 1HB HIS 12 HB2 HIS 12 4.918 14.899 4.064 80 2HB HIS 12 HB1 HIS 12 5.217 14.543 5.766 81 HD1 HIS 12 HD1 HIS 12 7.537 17.075 5.223 82 HD2 HIS 12 HD2 HIS 12 3.375 17.119 5.469 83 HE1 HIS 12 HE1 HIS 12 6.877 19.458 5.773 84 H ARG 13 HN ARG 13 6.859 14.068 2.117 85 HA ARG 13 HA ARG 13 8.137 16.626 1.151 86 1HB ARG 13 HB2 ARG 13 8.696 15.034 -0.866 87 2HB ARG 13 HB1 ARG 13 9.687 14.976 0.591 88 1HG ARG 13 HG2 ARG 13 8.496 13.063 1.424 89 2HG ARG 13 HG1 ARG 13 7.287 13.203 0.150 90 1HD ARG 13 HD2 ARG 13 9.098 11.415 -0.194 91 2HD ARG 13 HD1 ARG 13 8.855 12.539 -1.534 92 HE ARG 13 HE ARG 13 10.844 13.738 -0.028 93 1HH1 ARG 13 HH21 ARG 13 10.298 10.639 -1.434 94 2HH1 ARG 13 HH22 ARG 13 11.980 10.312 -1.693 95 1HH2 ARG 13 HH11 ARG 13 13.043 13.331 -0.357 96 2HH2 ARG 13 HH12 ARG 13 13.534 11.836 -1.083 97 HA PRO 14 HA PRO 14 3.743 16.390 -0.340 98 1HB PRO 14 HB2 PRO 14 3.706 19.269 -0.510 99 2HB PRO 14 HB1 PRO 14 2.878 18.225 0.647 100 1HG PRO 14 HG2 PRO 14 5.126 19.944 1.157 101 2HG PRO 14 HG1 PRO 14 4.334 18.844 2.295 102 1HD PRO 14 HD2 PRO 14 6.913 18.528 0.969 103 2HD PRO 14 HD1 PRO 14 6.196 17.518 2.240 104 H TRP 15 HN TRP 15 6.041 15.997 -2.187 105 HA TRP 15 HA TRP 15 6.474 17.765 -4.224 106 1HB TRP 15 HB2 TRP 15 5.721 14.840 -4.462 107 2HB TRP 15 HB1 TRP 15 6.313 15.794 -5.820 108 HD1 TRP 15 HD1 TRP 15 7.440 13.917 -2.799 109 HE1 TRP 15 HE1 TRP 15 10.001 14.085 -2.564 110 HE3 TRP 15 HE3 TRP 15 8.408 17.529 -6.274 111 HZ2 TRP 15 HZ2 TRP 15 12.175 15.555 -3.703 112 HZ3 TRP 15 HZ3 TRP 15 10.730 18.292 -6.681 113 HH2 TRP 15 HH2 TRP 15 12.613 17.311 -5.402 114 H GLN 16 HN GLN 16 3.476 15.993 -3.662 115 HA GLN 16 HA GLN 16 1.721 17.927 -4.635 116 1HB GLN 16 HB2 GLN 16 3.100 16.582 -6.820 117 2HB GLN 16 HB1 GLN 16 1.393 16.175 -6.892 118 1HG GLN 16 HG2 GLN 16 0.749 18.473 -6.957 119 2HG GLN 16 HG1 GLN 16 2.388 19.014 -6.587 120 1HE2 GLN 16 HE21 GLN 16 3.791 17.202 -8.373 121 2HE2 GLN 16 HE22 GLN 16 3.429 17.665 -9.966 122 H MET 17 HN MET 17 0.599 16.911 -2.768 123 HA MET 17 HA MET 17 -0.048 14.097 -2.982 124 1HB MET 17 HB2 MET 17 -1.512 14.582 -0.951 125 2HB MET 17 HB1 MET 17 0.191 15.001 -0.755 126 1HG MET 17 HG2 MET 17 -0.286 17.341 -1.254 127 2HG MET 17 HG1 MET 17 -1.975 16.955 -1.582 128 1HE MET 17 HE1 MET 17 -2.798 18.856 0.408 129 2HE MET 17 HE2 MET 17 -1.093 19.136 0.062 130 3HE MET 17 HE3 MET 17 -1.645 19.065 1.734 131 H LYS 18 HN LYS 18 -1.152 16.798 -4.517 132 HA LYS 18 HA LYS 18 -4.008 16.499 -4.457 133 1HB LYS 18 HB2 LYS 18 -4.043 17.960 -6.380 134 2HB LYS 18 HB1 LYS 18 -2.774 18.535 -5.299 135 1HG LYS 18 HG2 LYS 18 -1.147 17.130 -6.674 136 2HG LYS 18 HG1 LYS 18 -2.452 16.931 -7.844 137 1HD LYS 18 HD2 LYS 18 -1.314 19.583 -6.905 138 2HD LYS 18 HD1 LYS 18 -1.007 18.829 -8.470 139 1HE LYS 18 HE2 LYS 18 -3.589 18.828 -8.744 140 2HE LYS 18 HE1 LYS 18 -3.583 19.998 -7.423 141 1HZ LYS 18 HZ1 LYS 18 -2.474 20.250 -10.132 142 2HZ LYS 18 HZ2 LYS 18 -1.778 21.141 -8.863 143 3HZ LYS 18 HZ3 LYS 18 -3.420 21.348 -9.251 144 H ASP 19 HN ASP 19 -1.625 14.508 -5.631 145 HA ASP 19 HA ASP 19 -3.349 13.373 -7.791 146 1HB ASP 19 HB2 ASP 19 -0.924 13.553 -8.321 147 2HB ASP 19 HB1 ASP 19 -0.543 12.574 -6.904 148 H LEU 20 HN LEU 20 -2.046 12.629 -4.574 149 HA LEU 20 HA LEU 20 -3.306 10.010 -4.539 150 1HB LEU 20 HB2 LEU 20 -2.828 11.601 -2.018 151 2HB LEU 20 HB1 LEU 20 -2.698 9.855 -2.280 152 HG LEU 20 HG LEU 20 -0.815 11.933 -3.454 153 1HD1 LEU 20 HD11 LEU 20 -0.361 11.856 -1.125 154 2HD1 LEU 20 HD12 LEU 20 0.809 10.755 -1.851 155 3HD1 LEU 20 HD13 LEU 20 -0.626 10.115 -1.051 156 1HD2 LEU 20 HD21 LEU 20 -0.887 8.904 -3.500 157 2HD2 LEU 20 HD22 LEU 20 0.542 9.842 -3.933 158 3HD2 LEU 20 HD23 LEU 20 -0.935 9.996 -4.884 159 H GLN 21 HN GLN 21 -4.280 13.310 -4.336 160 HA GLN 21 HA GLN 21 -6.718 12.946 -2.859 161 1HB GLN 21 HB2 GLN 21 -5.597 15.173 -3.363 162 2HB GLN 21 HB1 GLN 21 -6.168 14.997 -5.023 163 1HG GLN 21 HG2 GLN 21 -8.470 14.994 -4.310 164 2HG GLN 21 HG1 GLN 21 -8.000 14.896 -2.613 165 1HE2 GLN 21 HE21 GLN 21 -7.983 17.067 -5.452 166 2HE2 GLN 21 HE22 GLN 21 -7.790 18.497 -4.560 167 H ALA 22 HN ALA 22 -5.795 12.916 -6.281 168 HA ALA 22 HA ALA 22 -8.264 12.497 -7.548 169 1HB ALA 22 HB1 ALA 22 -7.037 11.293 -9.261 170 2HB ALA 22 HB2 ALA 22 -5.712 10.973 -8.143 171 3HB ALA 22 HB3 ALA 22 -6.032 12.621 -8.683 172 H ILE 23 HN ILE 23 -6.360 10.417 -5.498 173 HA ILE 23 HA ILE 23 -8.077 8.039 -5.956 174 HB ILE 23 HB ILE 23 -5.530 8.628 -4.457 175 1HG1 ILE 23 HG12 ILE 23 -4.649 6.823 -5.812 176 2HG1 ILE 23 HG11 ILE 23 -6.263 6.400 -6.373 177 1HG2 ILE 23 HG21 ILE 23 -7.515 6.528 -3.731 178 2HG2 ILE 23 HG22 ILE 23 -6.290 7.304 -2.740 179 3HG2 ILE 23 HG23 ILE 23 -5.838 6.006 -3.840 180 1HD1 ILE 23 HD11 ILE 23 -6.472 8.421 -7.622 181 2HD1 ILE 23 HD12 ILE 23 -4.845 7.834 -7.963 182 3HD1 ILE 23 HD13 ILE 23 -5.085 9.148 -6.813 183 H LYS 24 HN LYS 24 -7.745 10.763 -3.826 184 HA LYS 24 HA LYS 24 -9.520 9.614 -1.739 185 1HB LYS 24 HB2 LYS 24 -7.514 11.350 -1.371 186 2HB LYS 24 HB1 LYS 24 -8.744 12.501 -1.896 187 1HG LYS 24 HG2 LYS 24 -10.269 11.647 -0.131 188 2HG LYS 24 HG1 LYS 24 -8.995 10.559 0.420 189 1HD LYS 24 HD2 LYS 24 -7.541 12.468 0.918 190 2HD LYS 24 HD1 LYS 24 -8.765 13.581 0.305 191 1HE LYS 24 HE2 LYS 24 -10.334 12.837 2.048 192 2HE LYS 24 HE1 LYS 24 -9.131 11.700 2.656 193 1HZ LYS 24 HZ1 LYS 24 -9.298 13.929 3.815 194 2HZ LYS 24 HZ2 LYS 24 -8.573 14.595 2.431 195 3HZ LYS 24 HZ3 LYS 24 -7.746 13.429 3.348 196 H GLN 25 HN GLN 25 -9.971 10.508 -4.799 197 HA GLN 25 HA GLN 25 -12.494 11.934 -4.159 198 1HB GLN 25 HB2 GLN 25 -10.667 12.200 -6.282 199 2HB GLN 25 HB1 GLN 25 -12.010 11.333 -7.019 200 1HG GLN 25 HG2 GLN 25 -13.567 13.076 -6.122 201 2HG GLN 25 HG1 GLN 25 -12.170 13.966 -5.517 202 1HE2 GLN 25 HE21 GLN 25 -11.014 15.264 -7.006 203 2HE2 GLN 25 HE22 GLN 25 -11.371 15.342 -8.663 204 H GLU 26 HN GLU 26 -11.322 9.378 -6.315 205 HA GLU 26 HA GLU 26 -13.627 7.900 -6.806 206 1HB GLU 26 HB2 GLU 26 -10.744 7.103 -6.501 207 2HB GLU 26 HB1 GLU 26 -11.961 5.863 -6.801 208 1HG GLU 26 HG2 GLU 26 -10.913 6.739 -8.900 209 2HG GLU 26 HG1 GLU 26 -12.659 6.984 -8.847 210 H VAL 27 HN VAL 27 -12.019 8.214 -3.702 211 HA VAL 27 HA VAL 27 -13.681 5.942 -2.601 212 HB VAL 27 HB VAL 27 -11.209 6.087 -1.909 213 1HG1 VAL 27 HG11 VAL 27 -12.079 8.436 -0.240 214 2HG1 VAL 27 HG12 VAL 27 -11.451 8.685 -1.865 215 3HG1 VAL 27 HG13 VAL 27 -10.448 7.895 -0.639 216 1HG2 VAL 27 HG21 VAL 27 -13.030 6.599 0.451 217 2HG2 VAL 27 HG22 VAL 27 -11.693 5.459 0.318 218 3HG2 VAL 27 HG23 VAL 27 -13.213 5.132 -0.506 219 H SER 28 HN SER 28 -13.265 9.437 -2.753 220 HA SER 28 HA SER 28 -15.392 9.764 -0.751 221 1HB SER 28 HB2 SER 28 -13.496 11.437 -1.068 222 2HB SER 28 HB1 SER 28 -14.234 11.874 -2.606 223 HG SER 28 HG SER 28 -16.174 12.298 -1.372 224 H GLN 29 HN GLN 29 -15.528 8.252 -3.322 225 HA GLN 29 HA GLN 29 -17.570 9.747 -4.921 226 1HB GLN 29 HB2 GLN 29 -15.459 9.098 -6.042 227 2HB GLN 29 HB1 GLN 29 -15.874 7.408 -5.763 228 1HG GLN 29 HG2 GLN 29 -18.008 7.748 -6.986 229 2HG GLN 29 HG1 GLN 29 -17.533 9.415 -7.314 230 1HE2 GLN 29 HE21 GLN 29 -17.294 6.194 -8.478 231 2HE2 GLN 29 HE22 GLN 29 -16.101 6.465 -9.655 232 H ALA 30 HN ALA 30 -16.548 6.599 -3.599 233 HA ALA 30 HA ALA 30 -19.267 5.413 -4.041 234 1HB ALA 30 HB1 ALA 30 -16.756 3.999 -3.119 235 2HB ALA 30 HB2 ALA 30 -17.158 4.222 -4.824 236 3HB ALA 30 HB3 ALA 30 -18.222 3.277 -3.785 237 H ALA 31 HN ALA 31 -18.485 3.423 -1.994 238 HA ALA 31 HA ALA 31 -19.595 4.839 0.362 239 1HB ALA 31 HB1 ALA 31 -20.628 2.826 0.704 240 2HB ALA 31 HB2 ALA 31 -19.065 2.018 0.829 241 3HB ALA 31 HB3 ALA 31 -19.837 2.207 -0.743 242 HA PRO 32 HA PRO 32 -15.849 5.130 2.620 243 1HB PRO 32 HB2 PRO 32 -16.481 3.270 4.789 244 2HB PRO 32 HB1 PRO 32 -16.424 5.037 4.835 245 1HG PRO 32 HG2 PRO 32 -18.776 3.371 4.848 246 2HG PRO 32 HG1 PRO 32 -18.713 5.140 4.828 247 1HD PRO 32 HD2 PRO 32 -19.500 3.391 2.674 248 2HD PRO 32 HD1 PRO 32 -19.399 5.162 2.643 249 H GLY 33 HN GLY 33 -14.735 3.957 0.885 250 1HA GLY 33 HA2 GLY 33 -12.866 2.377 0.727 251 2HA GLY 33 HA1 GLY 33 -13.770 1.259 1.750 252 H SER 34 HN SER 34 -15.234 -0.108 0.803 253 HA SER 34 HA SER 34 -16.236 -1.361 -0.859 254 1HB SER 34 HB2 SER 34 -17.760 -0.064 -1.890 255 2HB SER 34 HB1 SER 34 -16.946 1.303 -1.143 256 HG SER 34 HG SER 34 -15.781 1.621 -2.984 257 HA PRO 35 HA PRO 35 -13.270 -2.376 -3.889 258 1HB PRO 35 HB2 PRO 35 -14.794 -2.768 -6.278 259 2HB PRO 35 HB1 PRO 35 -14.439 -3.978 -5.037 260 1HG PRO 35 HG2 PRO 35 -16.983 -2.638 -5.575 261 2HG PRO 35 HG1 PRO 35 -16.660 -3.980 -4.469 262 1HD PRO 35 HD2 PRO 35 -17.121 -1.201 -3.793 263 2HD PRO 35 HD1 PRO 35 -16.815 -2.554 -2.686 264 H GLN 36 HN GLN 36 -15.172 0.407 -4.498 265 HA GLN 36 HA GLN 36 -14.060 1.297 -7.010 266 1HB GLN 36 HB2 GLN 36 -16.182 2.145 -5.861 267 2HB GLN 36 HB1 GLN 36 -15.117 3.091 -4.818 268 1HG GLN 36 HG2 GLN 36 -15.724 4.535 -6.637 269 2HG GLN 36 HG1 GLN 36 -14.066 4.021 -6.946 270 1HE2 GLN 36 HE21 GLN 36 -13.854 3.639 -9.156 271 2HE2 GLN 36 HE22 GLN 36 -14.989 2.819 -10.115 272 H PHE 37 HN PHE 37 -13.222 1.928 -3.638 273 HA PHE 37 HA PHE 37 -10.934 3.695 -4.245 274 1HB PHE 37 HB2 PHE 37 -12.122 3.955 -2.149 275 2HB PHE 37 HB1 PHE 37 -11.963 2.245 -1.791 276 HD1 PHE 37 HD1 PHE 37 -9.498 4.881 -2.934 277 HD2 PHE 37 HD2 PHE 37 -10.550 1.953 0.038 278 HE1 PHE 37 HE1 PHE 37 -7.396 5.347 -1.720 279 HE2 PHE 37 HE2 PHE 37 -8.442 2.424 1.242 280 HZ PHE 37 HZ PHE 37 -6.863 4.117 0.362 281 H MET 38 HN MET 38 -11.491 0.487 -4.655 282 HA MET 38 HA MET 38 -8.643 -0.263 -4.187 283 1HB MET 38 HB2 MET 38 -9.526 -2.321 -3.866 284 2HB MET 38 HB1 MET 38 -11.119 -1.641 -4.114 285 1HG MET 38 HG2 MET 38 -10.884 -2.040 -6.567 286 2HG MET 38 HG1 MET 38 -9.323 -2.805 -6.262 287 1HE MET 38 HE1 MET 38 -10.660 -4.438 -7.816 288 2HE MET 38 HE2 MET 38 -12.347 -4.004 -7.553 289 3HE MET 38 HE3 MET 38 -11.809 -5.652 -7.237 290 H GLN 39 HN GLN 39 -10.928 0.459 -6.700 291 HA GLN 39 HA GLN 39 -9.351 -0.425 -8.942 292 1HB GLN 39 HB2 GLN 39 -11.818 0.111 -8.963 293 2HB GLN 39 HB1 GLN 39 -11.383 1.820 -8.914 294 1HG GLN 39 HG2 GLN 39 -10.160 1.625 -11.001 295 2HG GLN 39 HG1 GLN 39 -10.409 -0.121 -11.026 296 1HE2 GLN 39 HE21 GLN 39 -11.354 1.881 -13.044 297 2HE2 GLN 39 HE22 GLN 39 -13.043 1.718 -13.094 298 H THR 40 HN THR 40 -9.769 2.678 -7.298 299 HA THR 40 HA THR 40 -7.774 4.130 -8.958 300 HB THR 40 HB THR 40 -9.864 5.049 -7.659 301 HG1 THR 40 HG1 THR 40 -8.877 6.843 -8.044 302 1HG2 THR 40 HG21 THR 40 -9.624 5.467 -5.330 303 2HG2 THR 40 HG22 THR 40 -7.905 5.070 -5.387 304 3HG2 THR 40 HG23 THR 40 -9.097 3.800 -5.574 305 H ILE 41 HN ILE 41 -7.702 2.380 -5.936 306 HA ILE 41 HA ILE 41 -4.936 3.314 -5.488 307 HB ILE 41 HB ILE 41 -6.646 1.169 -4.226 308 1HG1 ILE 41 HG12 ILE 41 -6.791 3.745 -3.731 309 2HG1 ILE 41 HG11 ILE 41 -6.805 2.603 -2.394 310 1HG2 ILE 41 HG21 ILE 41 -4.708 0.909 -2.588 311 2HG2 ILE 41 HG22 ILE 41 -3.713 1.715 -3.797 312 3HG2 ILE 41 HG23 ILE 41 -4.485 0.177 -4.177 313 1HD1 ILE 41 HD11 ILE 41 -5.224 4.599 -2.108 314 2HD1 ILE 41 HD12 ILE 41 -4.243 3.892 -3.388 315 3HD1 ILE 41 HD13 ILE 41 -4.494 3.011 -1.886 316 H ARG 42 HN ARG 42 -6.446 1.180 -7.577 317 HA ARG 42 HA ARG 42 -4.220 -0.730 -7.800 318 1HB ARG 42 HB2 ARG 42 -6.602 -1.366 -8.220 319 2HB ARG 42 HB1 ARG 42 -6.567 -0.324 -9.640 320 1HG ARG 42 HG2 ARG 42 -4.756 -1.658 -10.607 321 2HG ARG 42 HG1 ARG 42 -4.711 -2.672 -9.165 322 1HD ARG 42 HD2 ARG 42 -6.982 -3.449 -9.588 323 2HD ARG 42 HD1 ARG 42 -7.133 -2.352 -10.961 324 HE ARG 42 HE ARG 42 -4.913 -3.890 -11.583 325 1HH1 ARG 42 HH21 ARG 42 -8.182 -4.469 -10.652 326 2HH1 ARG 42 HH22 ARG 42 -8.309 -5.955 -11.534 327 1HH2 ARG 42 HH11 ARG 42 -5.061 -5.827 -12.740 328 2HH2 ARG 42 HH12 ARG 42 -6.543 -6.723 -12.716 329 H LEU 43 HN LEU 43 -5.393 2.146 -9.484 330 HA LEU 43 HA LEU 43 -3.384 1.770 -11.641 331 1HB LEU 43 HB2 LEU 43 -5.609 3.766 -11.172 332 2HB LEU 43 HB1 LEU 43 -4.436 3.957 -12.472 333 HG LEU 43 HG LEU 43 -5.912 1.340 -12.175 334 1HD1 LEU 43 HD11 LEU 43 -7.680 2.189 -13.667 335 2HD1 LEU 43 HD12 LEU 43 -6.960 3.798 -13.612 336 3HD1 LEU 43 HD13 LEU 43 -7.652 3.092 -12.152 337 1HD2 LEU 43 HD21 LEU 43 -5.634 1.381 -14.676 338 2HD2 LEU 43 HD22 LEU 43 -4.103 1.405 -13.806 339 3HD2 LEU 43 HD23 LEU 43 -4.739 2.890 -14.512 340 H ALA 44 HN ALA 44 -3.752 3.327 -8.624 341 HA ALA 44 HA ALA 44 -1.624 5.355 -9.256 342 1HB ALA 44 HB1 ALA 44 -2.831 4.957 -6.522 343 2HB ALA 44 HB2 ALA 44 -3.775 5.770 -7.769 344 3HB ALA 44 HB3 ALA 44 -2.224 6.439 -7.263 345 H VAL 45 HN VAL 45 -2.075 2.421 -7.329 346 HA VAL 45 HA VAL 45 0.646 2.638 -6.299 347 HB VAL 45 HB VAL 45 -1.429 0.436 -6.213 348 1HG1 VAL 45 HG11 VAL 45 1.426 0.475 -5.208 349 2HG1 VAL 45 HG12 VAL 45 0.657 -0.735 -6.236 350 3HG1 VAL 45 HG13 VAL 45 0.202 -0.604 -4.537 351 1HG2 VAL 45 HG21 VAL 45 -0.173 2.148 -4.047 352 2HG2 VAL 45 HG22 VAL 45 -1.493 0.999 -3.839 353 3HG2 VAL 45 HG23 VAL 45 -1.741 2.468 -4.787 354 H GLN 46 HN GLN 46 -0.958 1.176 -9.087 355 HA GLN 46 HA GLN 46 1.400 -0.457 -9.739 356 1HB GLN 46 HB2 GLN 46 -0.900 -1.227 -10.277 357 2HB GLN 46 HB1 GLN 46 -1.084 0.146 -11.368 358 1HG GLN 46 HG2 GLN 46 0.755 -0.646 -12.753 359 2HG GLN 46 HG1 GLN 46 1.084 -1.958 -11.620 360 1HE2 GLN 46 HE21 GLN 46 -0.173 -1.611 -14.577 361 2HE2 GLN 46 HE22 GLN 46 -1.433 -2.748 -14.535 362 H GLN 47 HN GLN 47 0.204 2.760 -10.460 363 HA GLN 47 HA GLN 47 1.867 2.976 -12.867 364 1HB GLN 47 HB2 GLN 47 0.062 4.882 -11.403 365 2HB GLN 47 HB1 GLN 47 1.124 5.449 -12.687 366 1HG GLN 47 HG2 GLN 47 0.135 3.854 -14.260 367 2HG GLN 47 HG1 GLN 47 -0.906 3.212 -12.992 368 1HE2 GLN 47 HE21 GLN 47 -0.437 5.899 -15.212 369 2HE2 GLN 47 HE22 GLN 47 -1.889 6.700 -14.850 370 H PHE 48 HN PHE 48 1.716 4.978 -9.911 371 HA PHE 48 HA PHE 48 4.511 5.797 -10.327 372 1HB PHE 48 HB2 PHE 48 2.609 6.524 -8.085 373 2HB PHE 48 HB1 PHE 48 4.113 7.345 -8.501 374 HD1 PHE 48 HD1 PHE 48 4.253 8.839 -10.395 375 HD2 PHE 48 HD2 PHE 48 0.646 6.650 -9.591 376 HE1 PHE 48 HE1 PHE 48 3.032 10.254 -12.025 377 HE2 PHE 48 HE2 PHE 48 -0.576 8.065 -11.221 378 HZ PHE 48 HZ PHE 48 0.617 9.866 -12.439 379 H ASP 49 HN ASP 49 3.163 3.094 -8.908 380 HA ASP 49 HA ASP 49 3.785 1.816 -6.954 381 1HB ASP 49 HB2 ASP 49 6.342 1.270 -7.306 382 2HB ASP 49 HB1 ASP 49 5.161 0.770 -8.520 383 HA PRO 50 HA PRO 50 5.480 5.427 -4.535 384 1HB PRO 50 HB2 PRO 50 3.666 4.594 -2.401 385 2HB PRO 50 HB1 PRO 50 3.668 6.113 -3.308 386 1HG PRO 50 HG2 PRO 50 1.758 4.013 -3.546 387 2HG PRO 50 HG1 PRO 50 1.912 5.420 -4.610 388 1HD PRO 50 HD2 PRO 50 2.646 2.632 -5.150 389 2HD PRO 50 HD1 PRO 50 2.555 3.992 -6.292 390 H THR 51 HN THR 51 6.977 5.232 -2.758 391 HA THR 51 HA THR 51 8.070 2.567 -2.374 392 HB THR 51 HB THR 51 9.646 3.645 -0.845 393 HG1 THR 51 HG1 THR 51 9.084 6.121 -0.834 394 1HG2 THR 51 HG21 THR 51 8.956 5.208 -3.339 395 2HG2 THR 51 HG22 THR 51 10.201 3.974 -3.138 396 3HG2 THR 51 HG23 THR 51 10.389 5.551 -2.370 397 H ALA 52 HN ALA 52 8.554 2.173 0.289 398 HA ALA 52 HA ALA 52 5.931 1.473 1.251 399 1HB ALA 52 HB1 ALA 52 8.139 0.258 1.728 400 2HB ALA 52 HB2 ALA 52 7.057 0.473 3.106 401 3HB ALA 52 HB3 ALA 52 8.458 1.526 2.913 402 H LYS 53 HN LYS 53 8.044 4.165 1.519 403 HA LYS 53 HA LYS 53 7.385 5.387 3.960 404 1HB LYS 53 HB2 LYS 53 7.775 6.689 1.256 405 2HB LYS 53 HB1 LYS 53 7.890 7.508 2.811 406 1HG LYS 53 HG2 LYS 53 9.760 6.075 3.475 407 2HG LYS 53 HG1 LYS 53 9.623 5.170 1.967 408 1HD LYS 53 HD2 LYS 53 10.111 7.246 0.697 409 2HD LYS 53 HD1 LYS 53 10.307 8.114 2.220 410 1HE LYS 53 HE2 LYS 53 12.512 7.491 1.540 411 2HE LYS 53 HE1 LYS 53 12.071 6.373 2.832 412 1HZ LYS 53 HZ1 LYS 53 11.172 4.993 0.812 413 2HZ LYS 53 HZ2 LYS 53 12.806 4.915 1.269 414 3HZ LYS 53 HZ3 LYS 53 12.333 5.885 -0.043 415 H ASP 54 HN ASP 54 5.828 6.084 0.799 416 HA ASP 54 HA ASP 54 3.612 7.615 1.623 417 1HB ASP 54 HB2 ASP 54 3.027 5.442 -0.320 418 2HB ASP 54 HB1 ASP 54 2.832 7.186 -0.493 419 H LEU 55 HN LEU 55 3.742 4.038 1.481 420 HA LEU 55 HA LEU 55 1.186 3.570 2.524 421 1HB LEU 55 HB2 LEU 55 2.819 1.816 1.753 422 2HB LEU 55 HB1 LEU 55 3.673 1.999 3.279 423 HG LEU 55 HG LEU 55 0.725 1.526 3.517 424 1HD1 LEU 55 HD11 LEU 55 1.175 -0.029 1.717 425 2HD1 LEU 55 HD12 LEU 55 1.045 -0.944 3.219 426 3HD1 LEU 55 HD13 LEU 55 2.632 -0.611 2.524 427 1HD2 LEU 55 HD21 LEU 55 1.509 0.026 5.340 428 2HD2 LEU 55 HD22 LEU 55 2.175 1.649 5.503 429 3HD2 LEU 55 HD23 LEU 55 3.177 0.346 4.870 430 H GLN 56 HN GLN 56 4.027 4.783 4.151 431 HA GLN 56 HA GLN 56 3.154 4.298 6.846 432 1HB GLN 56 HB2 GLN 56 5.508 4.961 5.996 433 2HB GLN 56 HB1 GLN 56 4.903 6.617 6.026 434 1HG GLN 56 HG2 GLN 56 4.233 6.246 8.428 435 2HG GLN 56 HG1 GLN 56 5.068 4.694 8.361 436 1HE2 GLN 56 HE21 GLN 56 7.227 5.709 6.578 437 2HE2 GLN 56 HE22 GLN 56 8.204 6.704 7.546 438 H ASP 57 HN ASP 57 3.230 7.398 5.045 439 HA ASP 57 HA ASP 57 1.213 8.500 6.915 440 1HB ASP 57 HB2 ASP 57 2.863 9.665 4.670 441 2HB ASP 57 HB1 ASP 57 1.563 10.579 5.436 442 H LEU 58 HN LEU 58 1.078 6.769 4.013 443 HA LEU 58 HA LEU 58 -1.395 8.157 3.087 444 1HB LEU 58 HB2 LEU 58 0.262 7.295 1.410 445 2HB LEU 58 HB1 LEU 58 -0.020 5.664 2.006 446 HG LEU 58 HG LEU 58 -2.470 7.206 1.222 447 1HD1 LEU 58 HD11 LEU 58 -1.087 7.867 -0.624 448 2HD1 LEU 58 HD12 LEU 58 -2.105 6.547 -1.194 449 3HD1 LEU 58 HD13 LEU 58 -0.417 6.245 -0.785 450 1HD2 LEU 58 HD21 LEU 58 -1.488 4.364 0.768 451 2HD2 LEU 58 HD22 LEU 58 -3.042 4.975 0.209 452 3HD2 LEU 58 HD23 LEU 58 -2.704 4.884 1.933 453 H LEU 59 HN LEU 59 -0.373 5.365 4.896 454 HA LEU 59 HA LEU 59 -3.156 4.311 4.962 455 1HB LEU 59 HB2 LEU 59 -1.049 2.831 4.716 456 2HB LEU 59 HB1 LEU 59 -0.748 3.202 6.411 457 HG LEU 59 HG LEU 59 -3.247 2.435 6.751 458 1HD1 LEU 59 HD11 LEU 59 -2.506 1.129 4.113 459 2HD1 LEU 59 HD12 LEU 59 -3.881 2.188 4.419 460 3HD1 LEU 59 HD13 LEU 59 -3.825 0.585 5.146 461 1HD2 LEU 59 HD21 LEU 59 -2.440 0.042 6.932 462 2HD2 LEU 59 HD22 LEU 59 -1.415 1.224 7.745 463 3HD2 LEU 59 HD23 LEU 59 -0.931 0.565 6.183 464 H GLN 60 HN GLN 60 -0.951 6.209 6.865 465 HA GLN 60 HA GLN 60 -2.526 5.772 9.335 466 1HB GLN 60 HB2 GLN 60 -0.044 7.358 8.664 467 2HB GLN 60 HB1 GLN 60 -0.849 7.511 10.227 468 1HG GLN 60 HG2 GLN 60 -0.081 4.809 9.104 469 2HG GLN 60 HG1 GLN 60 1.053 5.772 10.052 470 1HE2 GLN 60 HE21 GLN 60 -1.087 3.293 10.423 471 2HE2 GLN 60 HE22 GLN 60 -1.573 3.559 12.028 472 H TYR 61 HN TYR 61 -2.322 8.150 6.742 473 HA TYR 61 HA TYR 61 -4.049 10.022 8.332 474 1HB TYR 61 HB2 TYR 61 -2.311 10.424 5.894 475 2HB TYR 61 HB1 TYR 61 -3.546 11.590 6.352 476 HD1 TYR 61 HD1 TYR 61 -0.212 10.358 7.028 477 HD2 TYR 61 HD2 TYR 61 -3.480 12.603 8.680 478 HE1 TYR 61 HE1 TYR 61 1.316 11.339 8.714 479 HE2 TYR 61 HE2 TYR 61 -1.951 13.585 10.367 480 HH TYR 61 HH TYR 61 1.372 12.472 10.703 481 H LEU 62 HN LEU 62 -3.851 8.340 5.168 482 HA LEU 62 HA LEU 62 -6.492 9.269 4.386 483 1HB LEU 62 HB2 LEU 62 -4.451 8.158 2.975 484 2HB LEU 62 HB1 LEU 62 -5.414 6.710 3.250 485 HG LEU 62 HG LEU 62 -7.422 8.214 2.429 486 1HD1 LEU 62 HD11 LEU 62 -6.673 9.869 0.713 487 2HD1 LEU 62 HD12 LEU 62 -5.012 9.643 1.259 488 3HD1 LEU 62 HD13 LEU 62 -6.211 10.338 2.348 489 1HD2 LEU 62 HD21 LEU 62 -5.289 7.255 0.493 490 2HD2 LEU 62 HD22 LEU 62 -6.993 7.509 0.115 491 3HD2 LEU 62 HD23 LEU 62 -6.520 6.236 1.238 492 H CYS 63 HN CYS 63 -5.320 6.617 6.326 493 HA CYS 63 HA CYS 63 -8.121 5.574 6.498 494 1HB CYS 63 HB2 CYS 63 -5.747 4.188 7.740 495 2HB CYS 63 HB1 CYS 63 -7.271 3.503 7.188 496 HG CYS 63 HG CYS 63 -6.153 3.066 5.034 497 H SER 64 HN SER 64 -6.926 4.425 9.218 498 HA SER 64 HA SER 64 -6.503 6.831 10.796 499 1HB SER 64 HB2 SER 64 -8.812 7.187 10.763 500 2HB SER 64 HB1 SER 64 -9.176 5.465 10.760 501 HG SER 64 HG SER 64 -8.454 7.160 12.869 502 H SER 65 HN SER 65 -7.788 3.503 11.221 503 HA SER 65 HA SER 65 -5.382 2.717 12.658 504 1HB SER 65 HB2 SER 65 -6.570 2.271 14.824 505 2HB SER 65 HB1 SER 65 -6.400 3.984 14.453 506 HG SER 65 HG SER 65 -8.549 3.216 15.137 507 H LEU 66 HN LEU 66 -8.792 1.705 13.104 508 HA LEU 66 HA LEU 66 -8.422 -1.012 13.100 509 1HB LEU 66 HB2 LEU 66 -10.599 0.485 13.214 510 2HB LEU 66 HB1 LEU 66 -10.721 0.095 11.505 511 HG LEU 66 HG LEU 66 -12.001 -1.546 12.717 512 1HD1 LEU 66 HD11 LEU 66 -10.473 -2.292 10.823 513 2HD1 LEU 66 HD12 LEU 66 -11.008 -3.561 11.922 514 3HD1 LEU 66 HD13 LEU 66 -9.380 -2.902 12.066 515 1HD2 LEU 66 HD21 LEU 66 -11.361 -2.611 14.666 516 2HD2 LEU 66 HD22 LEU 66 -10.446 -1.121 14.868 517 3HD2 LEU 66 HD23 LEU 66 -9.645 -2.574 14.270 518 H VAL 67 HN VAL 67 -9.530 0.570 10.089 519 HA VAL 67 HA VAL 67 -9.310 -1.346 8.295 520 HB VAL 67 HB VAL 67 -8.043 1.372 7.835 521 1HG1 VAL 67 HG11 VAL 67 -8.720 0.933 5.454 522 2HG1 VAL 67 HG12 VAL 67 -9.102 -0.725 5.918 523 3HG1 VAL 67 HG13 VAL 67 -7.443 -0.138 6.032 524 1HG2 VAL 67 HG21 VAL 67 -10.308 1.606 8.644 525 2HG2 VAL 67 HG22 VAL 67 -10.875 0.321 7.578 526 3HG2 VAL 67 HG23 VAL 67 -10.343 1.859 6.899 527 H ALA 68 HN ALA 68 -6.395 0.612 9.012 528 HA ALA 68 HA ALA 68 -4.420 -0.947 7.699 529 1HB ALA 68 HB1 ALA 68 -2.850 0.128 9.244 530 2HB ALA 68 HB2 ALA 68 -4.191 0.637 10.270 531 3HB ALA 68 HB3 ALA 68 -4.025 1.298 8.644 532 H SER 69 HN SER 69 -5.882 -1.308 10.899 533 HA SER 69 HA SER 69 -4.136 -3.130 12.093 534 1HB SER 69 HB2 SER 69 -6.339 -2.090 12.979 535 2HB SER 69 HB1 SER 69 -7.121 -3.500 12.273 536 HG SER 69 HG SER 69 -4.841 -3.806 13.889 537 H LEU 70 HN LEU 70 -7.110 -4.138 10.358 538 HA LEU 70 HA LEU 70 -5.906 -6.779 9.938 539 1HB LEU 70 HB2 LEU 70 -8.680 -5.674 9.480 540 2HB LEU 70 HB1 LEU 70 -8.206 -7.256 8.867 541 HG LEU 70 HG LEU 70 -7.552 -7.911 11.196 542 1HD1 LEU 70 HD11 LEU 70 -8.643 -6.421 12.999 543 2HD1 LEU 70 HD12 LEU 70 -8.682 -5.166 11.760 544 3HD1 LEU 70 HD13 LEU 70 -7.140 -5.844 12.282 545 1HD2 LEU 70 HD21 LEU 70 -10.412 -6.987 10.773 546 2HD2 LEU 70 HD22 LEU 70 -9.899 -8.138 12.006 547 3HD2 LEU 70 HD23 LEU 70 -9.742 -8.547 10.297 548 H HIS 71 HN HIS 71 -6.444 -3.969 7.917 549 HA HIS 71 HA HIS 71 -6.484 -5.285 5.533 550 1HB HIS 71 HB2 HIS 71 -6.668 -2.964 5.296 551 2HB HIS 71 HB1 HIS 71 -5.325 -2.651 6.382 552 HD1 HIS 71 HD1 HIS 71 -3.838 -1.256 4.898 553 HD2 HIS 71 HD2 HIS 71 -5.023 -4.800 3.061 554 HE1 HIS 71 HE1 HIS 71 -2.498 -1.433 2.759 555 H HIS 72 HN HIS 72 -3.582 -4.041 7.234 556 HA HIS 72 HA HIS 72 -1.660 -5.345 5.619 557 1HB HIS 72 HB2 HIS 72 -0.919 -3.488 6.973 558 2HB HIS 72 HB1 HIS 72 -1.516 -4.246 8.450 559 HD1 HIS 72 HD1 HIS 72 0.730 -5.641 5.690 560 HD2 HIS 72 HD2 HIS 72 0.763 -5.010 9.810 561 HE1 HIS 72 HE1 HIS 72 2.883 -6.655 6.552 562 H GLN 73 HN GLN 73 -3.201 -6.277 8.710 563 HA GLN 73 HA GLN 73 -1.896 -8.568 9.469 564 1HB GLN 73 HB2 GLN 73 -4.079 -7.785 10.390 565 2HB GLN 73 HB1 GLN 73 -4.884 -8.551 9.013 566 1HG GLN 73 HG2 GLN 73 -3.044 -10.037 10.889 567 2HG GLN 73 HG1 GLN 73 -4.782 -9.905 11.159 568 1HE2 GLN 73 HE21 GLN 73 -6.110 -10.506 9.023 569 2HE2 GLN 73 HE22 GLN 73 -5.572 -11.896 8.211 570 H GLN 74 HN GLN 74 -4.110 -8.327 6.669 571 HA GLN 74 HA GLN 74 -3.981 -10.921 5.736 572 1HB GLN 74 HB2 GLN 74 -3.750 -8.396 4.074 573 2HB GLN 74 HB1 GLN 74 -4.203 -9.980 3.445 574 1HG GLN 74 HG2 GLN 74 -5.703 -8.556 5.660 575 2HG GLN 74 HG1 GLN 74 -6.171 -8.493 3.960 576 1HE2 GLN 74 HE21 GLN 74 -6.436 -10.351 6.849 577 2HE2 GLN 74 HE22 GLN 74 -7.153 -11.728 6.162 578 H LEU 75 HN LEU 75 -1.964 -8.224 4.359 579 HA LEU 75 HA LEU 75 0.331 -9.475 3.305 580 1HB LEU 75 HB2 LEU 75 -0.160 -6.948 4.827 581 2HB LEU 75 HB1 LEU 75 1.497 -7.426 4.490 582 HG LEU 75 HG LEU 75 -0.528 -7.437 2.250 583 1HD1 LEU 75 HD11 LEU 75 -0.860 -5.234 3.124 584 2HD1 LEU 75 HD12 LEU 75 0.251 -5.061 1.765 585 3HD1 LEU 75 HD13 LEU 75 0.866 -5.017 3.417 586 1HD2 LEU 75 HD21 LEU 75 2.460 -6.909 2.432 587 2HD2 LEU 75 HD22 LEU 75 1.520 -6.836 0.943 588 3HD2 LEU 75 HD23 LEU 75 1.693 -8.366 1.800 589 H ASP 76 HN ASP 76 0.304 -8.432 6.727 590 HA ASP 76 HA ASP 76 2.480 -9.307 7.913 591 1HB ASP 76 HB2 ASP 76 0.335 -8.866 9.061 592 2HB ASP 76 HB1 ASP 76 -0.094 -10.554 8.820 593 H SER 77 HN SER 77 -0.030 -11.762 7.502 594 HA SER 77 HA SER 77 1.850 -13.982 7.543 595 1HB SER 77 HB2 SER 77 -1.150 -13.759 7.231 596 2HB SER 77 HB1 SER 77 -0.281 -15.299 7.241 597 HG SER 77 HG SER 77 -0.548 -15.098 9.333 598 H LEU 78 HN LEU 78 -0.057 -12.247 5.078 599 HA LEU 78 HA LEU 78 -0.084 -14.166 3.093 600 1HB LEU 78 HB2 LEU 78 -0.725 -11.509 3.170 601 2HB LEU 78 HB1 LEU 78 0.698 -11.440 2.134 602 HG LEU 78 HG LEU 78 -1.568 -13.373 1.670 603 1HD1 LEU 78 HD11 LEU 78 -2.475 -11.799 0.037 604 2HD1 LEU 78 HD12 LEU 78 -1.163 -10.664 0.350 605 3HD1 LEU 78 HD13 LEU 78 -2.368 -10.984 1.598 606 1HD2 LEU 78 HD21 LEU 78 0.673 -13.806 0.628 607 2HD2 LEU 78 HD22 LEU 78 0.549 -12.248 -0.188 608 3HD2 LEU 78 HD23 LEU 78 -0.601 -13.531 -0.561 609 H ILE 79 HN ILE 79 2.526 -11.803 3.824 610 HA ILE 79 HA ILE 79 4.516 -12.740 2.049 611 HB ILE 79 HB ILE 79 4.351 -11.349 4.714 612 1HG1 ILE 79 HG12 ILE 79 4.043 -10.046 2.660 613 2HG1 ILE 79 HG11 ILE 79 5.509 -9.552 3.493 614 1HG2 ILE 79 HG21 ILE 79 6.266 -12.670 5.157 615 2HG2 ILE 79 HG22 ILE 79 6.887 -11.109 4.624 616 3HG2 ILE 79 HG23 ILE 79 6.880 -12.480 3.514 617 1HD1 ILE 79 HD11 ILE 79 6.511 -11.476 1.814 618 2HD1 ILE 79 HD12 ILE 79 6.448 -9.760 1.423 619 3HD1 ILE 79 HD13 ILE 79 5.180 -10.840 0.850 620 H SER 80 HN SER 80 3.971 -13.577 5.508 621 HA SER 80 HA SER 80 5.816 -15.649 5.707 622 1HB SER 80 HB2 SER 80 3.023 -15.887 6.840 623 2HB SER 80 HB1 SER 80 4.519 -16.535 7.506 624 HG SER 80 HG SER 80 4.246 -13.772 7.054 625 H GLU 81 HN GLU 81 2.422 -15.966 4.510 626 HA GLU 81 HA GLU 81 2.826 -18.757 3.877 627 1HB GLU 81 HB2 GLU 81 0.709 -16.784 2.982 628 2HB GLU 81 HB1 GLU 81 0.644 -18.524 2.704 629 1HG GLU 81 HG2 GLU 81 0.672 -18.943 5.115 630 2HG GLU 81 HG1 GLU 81 0.830 -17.215 5.433 631 H ALA 82 HN ALA 82 3.268 -15.736 2.016 632 HA ALA 82 HA ALA 82 3.177 -17.146 -0.427 633 1HB ALA 82 HB1 ALA 82 4.252 -14.412 0.260 634 2HB ALA 82 HB2 ALA 82 2.811 -14.829 -0.665 635 3HB ALA 82 HB3 ALA 82 4.411 -15.043 -1.381 636 H GLU 83 HN GLU 83 5.867 -15.854 1.533 637 HA GLU 83 HA GLU 83 7.986 -16.646 -0.103 638 1HB GLU 83 HB2 GLU 83 9.441 -16.590 1.895 639 2HB GLU 83 HB1 GLU 83 8.313 -15.234 1.924 640 1HG GLU 83 HG2 GLU 83 6.799 -16.605 3.376 641 2HG GLU 83 HG1 GLU 83 8.054 -17.841 3.449 642 H THR 84 HN THR 84 6.013 -18.487 2.116 643 HA THR 84 HA THR 84 7.578 -20.865 2.225 644 HB THR 84 HB THR 84 4.674 -21.362 2.061 645 HG1 THR 84 HG1 THR 84 4.307 -19.333 2.661 646 1HG2 THR 84 HG21 THR 84 6.376 -21.358 4.553 647 2HG2 THR 84 HG22 THR 84 6.534 -22.636 3.347 648 3HG2 THR 84 HG23 THR 84 4.993 -22.382 4.166 649 H ARG 85 HN ARG 85 5.022 -19.855 -0.075 650 HA ARG 85 HA ARG 85 4.757 -21.981 -1.755 651 1HB ARG 85 HB2 ARG 85 3.674 -19.858 -2.243 652 2HB ARG 85 HB1 ARG 85 5.223 -19.120 -2.634 653 1HG ARG 85 HG2 ARG 85 4.618 -21.602 -4.166 654 2HG ARG 85 HG1 ARG 85 3.550 -20.246 -4.505 655 1HD ARG 85 HD2 ARG 85 5.305 -18.885 -5.290 656 2HD ARG 85 HD1 ARG 85 6.554 -19.854 -4.501 657 HE ARG 85 HE ARG 85 5.450 -21.638 -6.270 658 1HH1 ARG 85 HH21 ARG 85 6.597 -18.394 -6.491 659 2HH1 ARG 85 HH22 ARG 85 7.167 -18.567 -8.118 660 1HH2 ARG 85 HH11 ARG 85 6.186 -21.880 -8.391 661 2HH2 ARG 85 HH12 ARG 85 6.934 -20.539 -9.193 662 H GLY 86 HN GLY 86 7.714 -20.030 -1.479 663 1HA GLY 86 HA2 GLY 86 9.869 -20.805 -2.122 664 2HA GLY 86 HA1 GLY 86 9.118 -22.097 -3.057 665 H ILE 87 HN ILE 87 9.001 -18.502 -3.096 666 HA ILE 87 HA ILE 87 8.597 -18.357 -5.937 667 HB ILE 87 HB ILE 87 9.775 -16.228 -4.126 668 1HG1 ILE 87 HG12 ILE 87 7.325 -15.428 -4.150 669 2HG1 ILE 87 HG11 ILE 87 6.917 -17.030 -4.754 670 1HG2 ILE 87 HG21 ILE 87 10.044 -15.552 -6.398 671 2HG2 ILE 87 HG22 ILE 87 8.572 -14.757 -5.856 672 3HG2 ILE 87 HG23 ILE 87 8.475 -16.207 -6.855 673 1HD1 ILE 87 HD11 ILE 87 8.615 -16.940 -2.303 674 2HD1 ILE 87 HD12 ILE 87 7.298 -18.032 -2.730 675 3HD1 ILE 87 HD13 ILE 87 6.942 -16.413 -2.140 676 H THR 88 HN THR 88 11.152 -16.342 -5.272 677 HA THR 88 HA THR 88 13.107 -18.180 -6.654 678 HB THR 88 HB THR 88 13.266 -15.155 -6.571 679 HG1 THR 88 HG1 THR 88 12.247 -16.640 -8.733 680 1HG2 THR 88 HG21 THR 88 14.326 -17.096 -8.628 681 2HG2 THR 88 HG22 THR 88 15.250 -16.657 -7.192 682 3HG2 THR 88 HG23 THR 88 14.805 -15.419 -8.366 683 H SER 89 HN SER 89 12.868 -18.600 -4.024 684 HA SER 89 HA SER 89 13.934 -18.353 -1.884 685 1HB SER 89 HB2 SER 89 15.606 -19.593 -3.191 686 2HB SER 89 HB1 SER 89 16.252 -18.081 -3.824 687 HG SER 89 HG SER 89 16.236 -19.008 -1.142 688 H TYR 90 HN TYR 90 13.095 -15.853 -3.439 689 HA TYR 90 HA TYR 90 14.659 -13.701 -3.446 690 1HB TYR 90 HB2 TYR 90 11.851 -14.054 -2.554 691 2HB TYR 90 HB1 TYR 90 12.590 -12.506 -2.151 692 HD1 TYR 90 HD1 TYR 90 10.750 -14.164 -4.640 693 HD2 TYR 90 HD2 TYR 90 14.097 -11.511 -4.184 694 HE1 TYR 90 HE1 TYR 90 10.459 -13.373 -6.979 695 HE2 TYR 90 HE2 TYR 90 13.801 -10.729 -6.510 696 HH TYR 90 HH TYR 90 12.113 -12.308 -8.777 697 H ASN 91 HN ASN 91 16.148 -12.803 -2.150 698 HA ASN 91 HA ASN 91 16.067 -13.368 0.751 699 1HB ASN 91 HB2 ASN 91 18.110 -13.898 -0.539 700 2HB ASN 91 HB1 ASN 91 18.282 -12.186 -0.930 701 1HD2 ASN 91 HD21 ASN 91 18.298 -14.501 1.792 702 2HD2 ASN 91 HD22 ASN 91 19.136 -13.485 2.863 703 HA PRO 92 HA PRO 92 16.366 -8.562 0.391 704 1HB PRO 92 HB2 PRO 92 14.154 -7.642 -1.198 705 2HB PRO 92 HB1 PRO 92 15.879 -7.453 -1.539 706 1HG PRO 92 HG2 PRO 92 13.989 -9.222 -2.856 707 2HG PRO 92 HG1 PRO 92 15.695 -8.966 -3.246 708 1HD PRO 92 HD2 PRO 92 14.489 -11.241 -1.933 709 2HD PRO 92 HD1 PRO 92 16.196 -11.021 -2.370 710 H LEU 93 HN LEU 93 13.107 -9.945 -0.154 711 HA LEU 93 HA LEU 93 11.745 -8.389 1.786 712 1HB LEU 93 HB2 LEU 93 10.463 -10.850 2.040 713 2HB LEU 93 HB1 LEU 93 10.038 -9.594 0.892 714 HG LEU 93 HG LEU 93 11.689 -10.637 -0.722 715 1HD1 LEU 93 HD11 LEU 93 11.913 -12.558 1.561 716 2HD1 LEU 93 HD12 LEU 93 13.133 -12.033 0.400 717 3HD1 LEU 93 HD13 LEU 93 11.924 -13.224 -0.068 718 1HD2 LEU 93 HD21 LEU 93 10.110 -12.274 -1.478 719 2HD2 LEU 93 HD22 LEU 93 9.177 -10.987 -0.718 720 3HD2 LEU 93 HD23 LEU 93 9.470 -12.494 0.150 721 H ALA 94 HN ALA 94 13.201 -11.520 2.086 722 HA ALA 94 HA ALA 94 13.287 -12.619 4.414 723 1HB ALA 94 HB1 ALA 94 15.916 -11.300 3.798 724 2HB ALA 94 HB2 ALA 94 15.235 -12.545 2.744 725 3HB ALA 94 HB3 ALA 94 15.605 -12.918 4.429 726 H GLY 95 HN GLY 95 14.757 -9.398 4.167 727 1HA GLY 95 HA2 GLY 95 14.906 -8.923 7.026 728 2HA GLY 95 HA1 GLY 95 15.058 -7.701 5.754 729 HA PRO 96 HA PRO 96 10.964 -7.110 7.637 730 1HB PRO 96 HB2 PRO 96 11.034 -4.246 7.252 731 2HB PRO 96 HB1 PRO 96 11.243 -5.120 8.777 732 1HG PRO 96 HG2 PRO 96 13.290 -3.775 7.199 733 2HG PRO 96 HG1 PRO 96 13.471 -4.564 8.770 734 1HD PRO 96 HD2 PRO 96 14.345 -5.549 6.175 735 2HD PRO 96 HD1 PRO 96 14.582 -6.304 7.761 736 H LEU 97 HN LEU 97 8.905 -5.749 6.375 737 HA LEU 97 HA LEU 97 9.188 -6.521 3.584 738 1HB LEU 97 HB2 LEU 97 6.891 -4.873 4.642 739 2HB LEU 97 HB1 LEU 97 6.873 -6.125 3.399 740 HG LEU 97 HG LEU 97 7.277 -6.542 6.374 741 1HD1 LEU 97 HD11 LEU 97 4.943 -6.106 5.594 742 2HD1 LEU 97 HD12 LEU 97 5.155 -7.730 6.249 743 3HD1 LEU 97 HD13 LEU 97 5.085 -7.484 4.504 744 1HD2 LEU 97 HD21 LEU 97 7.485 -8.410 4.002 745 2HD2 LEU 97 HD22 LEU 97 7.153 -9.004 5.629 746 3HD2 LEU 97 HD23 LEU 97 8.660 -8.153 5.292 747 H ARG 98 HN ARG 98 8.418 -3.372 5.138 748 HA ARG 98 HA ARG 98 8.511 -1.607 3.084 749 1HB ARG 98 HB2 ARG 98 8.342 -0.493 5.097 750 2HB ARG 98 HB1 ARG 98 9.538 -1.519 5.878 751 1HG ARG 98 HG2 ARG 98 11.351 -0.282 4.999 752 2HG ARG 98 HG1 ARG 98 10.346 0.499 3.782 753 1HD ARG 98 HD2 ARG 98 9.266 1.872 5.405 754 2HD ARG 98 HD1 ARG 98 9.886 0.903 6.742 755 HE ARG 98 HE ARG 98 12.172 1.847 5.490 756 1HH1 ARG 98 HH21 ARG 98 9.269 3.201 6.761 757 2HH1 ARG 98 HH22 ARG 98 10.007 4.703 7.207 758 1HH2 ARG 98 HH11 ARG 98 13.154 3.801 6.065 759 2HH2 ARG 98 HH12 ARG 98 12.206 5.042 6.814 760 H VAL 99 HN VAL 99 11.061 -3.564 4.167 761 HA VAL 99 HA VAL 99 13.251 -2.218 2.684 762 HB VAL 99 HB VAL 99 13.015 -4.590 4.527 763 1HG1 VAL 99 HG11 VAL 99 15.205 -4.209 2.453 764 2HG1 VAL 99 HG12 VAL 99 14.230 -5.651 2.738 765 3HG1 VAL 99 HG13 VAL 99 15.438 -5.154 3.924 766 1HG2 VAL 99 HG21 VAL 99 13.636 -2.359 5.379 767 2HG2 VAL 99 HG22 VAL 99 14.980 -2.280 4.243 768 3HG2 VAL 99 HG23 VAL 99 14.999 -3.464 5.542 769 H GLN 100 HN GLN 100 11.254 -5.131 2.364 770 HA GLN 100 HA GLN 100 12.423 -6.342 0.168 771 1HB GLN 100 HB2 GLN 100 10.432 -7.503 -0.100 772 2HB GLN 100 HB1 GLN 100 10.153 -6.824 1.496 773 1HG GLN 100 HG2 GLN 100 8.907 -4.934 0.437 774 2HG GLN 100 HG1 GLN 100 9.094 -5.731 -1.127 775 1HE2 GLN 100 HE21 GLN 100 6.883 -5.365 1.306 776 2HE2 GLN 100 HE22 GLN 100 6.050 -6.837 1.160 777 H ALA 101 HN ALA 101 10.002 -3.673 -0.051 778 HA ALA 101 HA ALA 101 10.683 -3.421 -2.925 779 1HB ALA 101 HB1 ALA 101 8.871 -1.555 -2.757 780 2HB ALA 101 HB2 ALA 101 8.574 -2.190 -1.137 781 3HB ALA 101 HB3 ALA 101 8.344 -3.226 -2.549 782 H ASN 102 HN ASN 102 11.276 -1.572 0.032 783 HA ASN 102 HA ASN 102 12.198 0.767 -1.407 784 1HB ASN 102 HB2 ASN 102 12.891 -0.201 1.386 785 2HB ASN 102 HB1 ASN 102 13.318 1.377 0.733 786 1HD2 ASN 102 HD21 ASN 102 10.282 0.150 -0.385 787 2HD2 ASN 102 HD22 ASN 102 9.289 1.101 0.610 788 H ASN 103 HN ASN 103 13.226 -1.595 -2.603 789 HA ASN 103 HA ASN 103 16.166 -1.274 -2.117 790 1HB ASN 103 HB2 ASN 103 15.327 -3.435 -1.229 791 2HB ASN 103 HB1 ASN 103 14.699 -3.824 -2.832 792 1HD2 ASN 103 HD21 ASN 103 17.548 -3.833 -0.852 793 2HD2 ASN 103 HD22 ASN 103 18.635 -4.346 -2.051 794 HA PRO 104 HA PRO 104 14.974 -0.181 -6.517 795 1HB PRO 104 HB2 PRO 104 17.562 1.227 -6.464 796 2HB PRO 104 HB1 PRO 104 15.951 1.871 -6.815 797 1HG PRO 104 HG2 PRO 104 17.407 2.350 -4.454 798 2HG PRO 104 HG1 PRO 104 15.669 2.619 -4.657 799 1HD PRO 104 HD2 PRO 104 17.034 0.518 -3.125 800 2HD PRO 104 HD1 PRO 104 15.316 0.972 -3.088 801 H GLN 105 HN GLN 105 17.865 -1.541 -5.029 802 HA GLN 105 HA GLN 105 19.053 -2.420 -7.514 803 1HB GLN 105 HB2 GLN 105 19.377 -3.541 -4.710 804 2HB GLN 105 HB1 GLN 105 20.436 -3.877 -6.080 805 1HG GLN 105 HG2 GLN 105 19.919 -1.098 -4.988 806 2HG GLN 105 HG1 GLN 105 21.311 -2.086 -4.545 807 1HE2 GLN 105 HE21 GLN 105 21.011 0.512 -6.233 808 2HE2 GLN 105 HE22 GLN 105 21.876 0.162 -7.650 809 H GLN 106 HN GLN 106 16.320 -3.408 -5.760 810 HA GLN 106 HA GLN 106 15.979 -5.761 -7.530 811 1HB GLN 106 HB2 GLN 106 15.737 -5.959 -4.509 812 2HB GLN 106 HB1 GLN 106 15.428 -7.252 -5.668 813 1HG GLN 106 HG2 GLN 106 17.826 -6.967 -6.459 814 2HG GLN 106 HG1 GLN 106 18.076 -5.915 -5.065 815 1HE2 GLN 106 HE21 GLN 106 17.540 -9.261 -6.059 816 2HE2 GLN 106 HE22 GLN 106 17.829 -9.950 -4.535 817 H GLN 107 HN GLN 107 14.480 -3.957 -8.268 818 HA GLN 107 HA GLN 107 12.164 -3.384 -6.565 819 1HB GLN 107 HB2 GLN 107 11.340 -2.139 -8.547 820 2HB GLN 107 HB1 GLN 107 12.990 -1.680 -8.126 821 1HG GLN 107 HG2 GLN 107 13.821 -3.313 -9.838 822 2HG GLN 107 HG1 GLN 107 12.148 -3.592 -10.322 823 1HE2 GLN 107 HE21 GLN 107 14.784 -1.232 -10.377 824 2HE2 GLN 107 HE22 GLN 107 14.034 -0.153 -11.451 825 H GLY 108 HN GLY 108 13.014 -6.075 -8.356 826 1HA GLY 108 HA2 GLY 108 10.813 -6.808 -9.890 827 2HA GLY 108 HA1 GLY 108 11.701 -7.965 -8.906 828 H LEU 109 HN LEU 109 11.138 -7.918 -6.580 829 HA LEU 109 HA LEU 109 8.431 -8.565 -5.975 830 1HB LEU 109 HB2 LEU 109 10.433 -7.237 -4.135 831 2HB LEU 109 HB1 LEU 109 8.973 -8.097 -3.637 832 HG LEU 109 HG LEU 109 11.328 -9.295 -5.128 833 1HD1 LEU 109 HD11 LEU 109 11.666 -10.549 -3.055 834 2HD1 LEU 109 HD12 LEU 109 10.269 -9.751 -2.334 835 3HD1 LEU 109 HD13 LEU 109 11.706 -8.815 -2.730 836 1HD2 LEU 109 HD21 LEU 109 9.552 -10.599 -5.914 837 2HD2 LEU 109 HD22 LEU 109 8.572 -10.326 -4.472 838 3HD2 LEU 109 HD23 LEU 109 9.918 -11.453 -4.417 839 H ARG 110 HN ARG 110 9.865 -5.261 -5.634 840 HA ARG 110 HA ARG 110 7.611 -3.935 -4.712 841 1HB ARG 110 HB2 ARG 110 9.784 -2.840 -5.477 842 2HB ARG 110 HB1 ARG 110 9.146 -2.913 -7.117 843 1HG ARG 110 HG2 ARG 110 7.218 -1.567 -6.479 844 2HG ARG 110 HG1 ARG 110 7.753 -1.552 -4.799 845 1HD ARG 110 HD2 ARG 110 9.932 -0.504 -5.667 846 2HD ARG 110 HD1 ARG 110 9.071 -0.246 -7.184 847 HE ARG 110 HE ARG 110 7.385 0.841 -5.272 848 1HH1 ARG 110 HH21 ARG 110 10.701 1.159 -6.162 849 2HH1 ARG 110 HH22 ARG 110 10.810 2.818 -5.676 850 1HH2 ARG 110 HH11 ARG 110 7.509 3.006 -4.633 851 2HH2 ARG 110 HH12 ARG 110 9.003 3.863 -4.811 852 H ARG 111 HN ARG 111 7.948 -5.476 -7.833 853 HA ARG 111 HA ARG 111 5.321 -4.415 -8.749 854 1HB ARG 111 HB2 ARG 111 6.644 -6.717 -10.158 855 2HB ARG 111 HB1 ARG 111 5.776 -5.350 -10.844 856 1HG ARG 111 HG2 ARG 111 7.656 -3.969 -10.841 857 2HG ARG 111 HG1 ARG 111 8.432 -4.831 -9.519 858 1HD ARG 111 HD2 ARG 111 8.813 -6.772 -10.999 859 2HD ARG 111 HD1 ARG 111 8.071 -5.886 -12.331 860 HE ARG 111 HE ARG 111 10.084 -4.193 -11.460 861 1HH1 ARG 111 HH21 ARG 111 9.838 -7.491 -12.433 862 2HH1 ARG 111 HH22 ARG 111 11.444 -7.559 -13.079 863 1HH2 ARG 111 HH11 ARG 111 12.181 -4.262 -12.299 864 2HH2 ARG 111 HH12 ARG 111 12.770 -5.730 -13.003 865 H GLU 112 HN GLU 112 6.685 -7.370 -7.377 866 HA GLU 112 HA GLU 112 4.168 -8.814 -7.668 867 1HB GLU 112 HB2 GLU 112 6.530 -9.837 -7.308 868 2HB GLU 112 HB1 GLU 112 6.298 -9.428 -5.608 869 1HG GLU 112 HG2 GLU 112 5.536 -11.684 -5.860 870 2HG GLU 112 HG1 GLU 112 4.088 -10.685 -5.731 871 H TYR 113 HN TYR 113 5.811 -6.963 -5.163 872 HA TYR 113 HA TYR 113 4.118 -7.287 -2.973 873 1HB TYR 113 HB2 TYR 113 6.151 -5.818 -3.031 874 2HB TYR 113 HB1 TYR 113 5.216 -4.625 -3.932 875 HD1 TYR 113 HD1 TYR 113 3.958 -3.016 -2.765 876 HD2 TYR 113 HD2 TYR 113 5.120 -6.641 -0.775 877 HE1 TYR 113 HE1 TYR 113 3.040 -2.141 -0.634 878 HE2 TYR 113 HE2 TYR 113 4.202 -5.765 1.355 879 HH TYR 113 HH TYR 113 2.388 -2.748 1.471 880 H GLN 114 HN GLN 114 3.730 -4.525 -5.258 881 HA GLN 114 HA GLN 114 1.181 -3.736 -4.532 882 1HB GLN 114 HB2 GLN 114 0.883 -3.067 -6.958 883 2HB GLN 114 HB1 GLN 114 2.362 -2.483 -6.196 884 1HG GLN 114 HG2 GLN 114 3.603 -4.390 -7.165 885 2HG GLN 114 HG1 GLN 114 2.125 -4.938 -7.957 886 1HE2 GLN 114 HE21 GLN 114 3.601 -1.658 -7.602 887 2HE2 GLN 114 HE22 GLN 114 3.593 -1.318 -9.264 888 H GLN 115 HN GLN 115 2.052 -6.534 -6.515 889 HA GLN 115 HA GLN 115 -0.637 -7.122 -7.365 890 1HB GLN 115 HB2 GLN 115 1.581 -8.022 -8.327 891 2HB GLN 115 HB1 GLN 115 1.537 -9.189 -7.007 892 1HG GLN 115 HG2 GLN 115 -0.696 -9.940 -7.746 893 2HG GLN 115 HG1 GLN 115 -0.640 -8.784 -9.076 894 1HE2 GLN 115 HE21 GLN 115 0.528 -11.898 -7.965 895 2HE2 GLN 115 HE22 GLN 115 1.386 -12.296 -9.375 896 H LEU 116 HN LEU 116 1.335 -8.318 -4.626 897 HA LEU 116 HA LEU 116 -0.930 -9.935 -3.642 898 1HB LEU 116 HB2 LEU 116 1.665 -9.345 -2.200 899 2HB LEU 116 HB1 LEU 116 0.576 -10.710 -1.956 900 HG LEU 116 HG LEU 116 2.166 -10.173 -4.483 901 1HD1 LEU 116 HD11 LEU 116 2.535 -12.139 -2.208 902 2HD1 LEU 116 HD12 LEU 116 3.658 -10.880 -2.723 903 3HD1 LEU 116 HD13 LEU 116 3.364 -12.277 -3.759 904 1HD2 LEU 116 HD21 LEU 116 0.205 -12.323 -3.655 905 2HD2 LEU 116 HD22 LEU 116 1.408 -12.609 -4.912 906 3HD2 LEU 116 HD23 LEU 116 0.199 -11.344 -5.122 907 H TRP 117 HN TRP 117 0.478 -6.796 -3.145 908 HA TRP 117 HA TRP 117 -0.848 -6.356 -0.575 909 1HB TRP 117 HB2 TRP 117 1.180 -5.140 -0.894 910 2HB TRP 117 HB1 TRP 117 0.680 -4.582 -2.484 911 HD1 TRP 117 HD1 TRP 117 -1.660 -4.469 0.536 912 HE1 TRP 117 HE1 TRP 117 -2.181 -2.008 1.088 913 HE3 TRP 117 HE3 TRP 117 1.551 -2.140 -2.682 914 HZ2 TRP 117 HZ2 TRP 117 -1.347 0.605 0.278 915 HZ3 TRP 117 HZ3 TRP 117 1.667 0.334 -2.770 916 HH2 TRP 117 HH2 TRP 117 0.223 1.708 -1.295 917 H LEU 118 HN LEU 118 -1.504 -5.689 -4.013 918 HA LEU 118 HA LEU 118 -3.854 -4.037 -3.450 919 1HB LEU 118 HB2 LEU 118 -2.883 -5.466 -5.931 920 2HB LEU 118 HB1 LEU 118 -4.392 -4.559 -5.871 921 HG LEU 118 HG LEU 118 -1.742 -3.330 -5.063 922 1HD1 LEU 118 HD11 LEU 118 -1.374 -3.942 -7.328 923 2HD1 LEU 118 HD12 LEU 118 -1.881 -2.254 -7.390 924 3HD1 LEU 118 HD13 LEU 118 -3.026 -3.535 -7.788 925 1HD2 LEU 118 HD21 LEU 118 -4.508 -2.270 -5.688 926 2HD2 LEU 118 HD22 LEU 118 -3.092 -1.232 -5.830 927 3HD2 LEU 118 HD23 LEU 118 -3.498 -1.948 -4.279 928 H ALA 119 HN ALA 119 -3.233 -7.511 -3.748 929 HA ALA 119 HA ALA 119 -6.062 -8.240 -3.829 930 1HB ALA 119 HB1 ALA 119 -3.852 -9.697 -2.325 931 2HB ALA 119 HB2 ALA 119 -4.084 -9.880 -4.063 932 3HB ALA 119 HB3 ALA 119 -5.353 -10.385 -2.947 933 H ALA 120 HN ALA 120 -4.006 -8.430 -0.880 934 HA ALA 120 HA ALA 120 -6.033 -8.218 0.976 935 1HB ALA 120 HB1 ALA 120 -4.378 -6.942 2.408 936 2HB ALA 120 HB2 ALA 120 -3.302 -6.921 1.011 937 3HB ALA 120 HB3 ALA 120 -3.771 -8.457 1.735 938 H PHE 121 HN PHE 121 -5.426 -5.818 -1.401 939 HA PHE 121 HA PHE 121 -6.796 -3.722 0.267 940 1HB PHE 121 HB2 PHE 121 -4.483 -3.389 -1.118 941 2HB PHE 121 HB1 PHE 121 -5.628 -3.045 -2.408 942 HD1 PHE 121 HD1 PHE 121 -3.994 -1.762 0.528 943 HD2 PHE 121 HD2 PHE 121 -7.457 -1.314 -1.971 944 HE1 PHE 121 HE1 PHE 121 -4.349 0.520 1.430 945 HE2 PHE 121 HE2 PHE 121 -7.813 0.962 -1.071 946 HZ PHE 121 HZ PHE 121 -6.256 1.882 0.630 947 H ALA 122 HN ALA 122 -7.137 -5.816 -2.476 948 HA ALA 122 HA ALA 122 -9.691 -4.432 -3.247 949 1HB ALA 122 HB1 ALA 122 -8.536 -4.858 -5.268 950 2HB ALA 122 HB2 ALA 122 -9.556 -6.288 -5.116 951 3HB ALA 122 HB3 ALA 122 -7.855 -6.365 -4.657 952 H ALA 123 HN ALA 123 -8.523 -7.068 -1.480 953 HA ALA 123 HA ALA 123 -11.238 -8.309 -1.531 954 1HB ALA 123 HB1 ALA 123 -10.223 -10.070 -0.151 955 2HB ALA 123 HB2 ALA 123 -8.731 -9.139 -0.020 956 3HB ALA 123 HB3 ALA 123 -9.224 -9.800 -1.579 957 H LEU 124 HN LEU 124 -10.036 -5.644 -0.362 958 HA LEU 124 HA LEU 124 -9.959 -5.823 2.351 959 1HB LEU 124 HB2 LEU 124 -10.008 -3.674 0.446 960 2HB LEU 124 HB1 LEU 124 -10.960 -3.185 1.848 961 HG LEU 124 HG LEU 124 -8.184 -4.359 2.078 962 1HD1 LEU 124 HD11 LEU 124 -7.257 -2.214 2.214 963 2HD1 LEU 124 HD12 LEU 124 -8.832 -1.449 2.432 964 3HD1 LEU 124 HD13 LEU 124 -8.371 -2.089 0.854 965 1HD2 LEU 124 HD21 LEU 124 -10.124 -4.191 3.975 966 2HD2 LEU 124 HD22 LEU 124 -9.315 -2.641 4.201 967 3HD2 LEU 124 HD23 LEU 124 -8.399 -4.144 4.316 968 HA PRO 125 HA PRO 125 -14.625 -4.063 2.468 969 1HB PRO 125 HB2 PRO 125 -15.837 -5.387 0.171 970 2HB PRO 125 HB1 PRO 125 -15.887 -3.670 0.608 971 1HG PRO 125 HG2 PRO 125 -14.273 -4.928 -1.448 972 2HG PRO 125 HG1 PRO 125 -14.351 -3.210 -1.027 973 1HD PRO 125 HD2 PRO 125 -12.157 -4.945 -0.567 974 2HD PRO 125 HD1 PRO 125 -12.363 -3.313 0.093 975 H GLY 126 HN GLY 126 -14.297 -7.125 0.715 976 1HA GLY 126 HA2 GLY 126 -15.744 -8.477 2.930 977 2HA GLY 126 HA1 GLY 126 -15.410 -9.166 1.344 978 H SER 127 HN SER 127 -13.489 -7.836 4.038 979 HA SER 127 HA SER 127 -12.376 -10.210 4.820 980 1HB SER 127 HB2 SER 127 -11.344 -10.068 2.351 981 2HB SER 127 HB1 SER 127 -10.129 -9.102 3.151 982 HG SER 127 HG SER 127 -10.812 -11.796 3.488 983 H ALA 128 HN ALA 128 -11.897 -6.740 4.858 984 HA ALA 128 HA ALA 128 -10.805 -6.943 7.490 985 1HB ALA 128 HB1 ALA 128 -8.819 -6.671 5.235 986 2HB ALA 128 HB2 ALA 128 -8.735 -7.710 6.654 987 3HB ALA 128 HB3 ALA 128 -8.459 -5.982 6.819 988 H LYS 129 HN LYS 129 -12.584 -5.307 7.349 989 HA LYS 129 HA LYS 129 -11.389 -2.709 7.625 990 1HB LYS 129 HB2 LYS 129 -12.453 -1.473 5.831 991 2HB LYS 129 HB1 LYS 129 -11.411 -2.731 5.216 992 1HG LYS 129 HG2 LYS 129 -13.115 -3.718 4.096 993 2HG LYS 129 HG1 LYS 129 -14.118 -3.771 5.533 994 1HD LYS 129 HD2 LYS 129 -15.224 -2.424 3.816 995 2HD LYS 129 HD1 LYS 129 -14.755 -1.384 5.146 996 1HE LYS 129 HE2 LYS 129 -13.641 -0.084 3.652 997 2HE LYS 129 HE1 LYS 129 -12.528 -1.420 3.367 998 1HZ LYS 129 HZ1 LYS 129 -15.127 -1.042 1.982 999 2HZ LYS 129 HZ2 LYS 129 -13.993 -2.270 1.675 1000 3HZ LYS 129 HZ3 LYS 129 -13.610 -0.650 1.333 1001 H ASP 130 HN ASP 130 -13.903 -1.410 6.690 1002 HA ASP 130 HA ASP 130 -16.161 -2.382 8.236 1003 1HB ASP 130 HB2 ASP 130 -14.652 -1.422 10.007 1004 2HB ASP 130 HB1 ASP 130 -14.786 0.141 9.200 1005 HA PRO 131 HA PRO 131 -17.134 0.665 4.866 1006 1HB PRO 131 HB2 PRO 131 -18.761 -0.964 3.397 1007 2HB PRO 131 HB1 PRO 131 -16.996 -1.057 3.253 1008 1HG PRO 131 HG2 PRO 131 -18.868 -2.945 4.626 1009 2HG PRO 131 HG1 PRO 131 -17.306 -3.284 3.873 1010 1HD PRO 131 HD2 PRO 131 -17.799 -2.934 6.668 1011 2HD PRO 131 HD1 PRO 131 -16.211 -3.016 5.896 1012 H SER 132 HN SER 132 -19.207 -1.593 6.612 1013 HA SER 132 HA SER 132 -21.414 -1.300 7.473 1014 1HB SER 132 HB2 SER 132 -21.755 0.722 8.624 1015 2HB SER 132 HB1 SER 132 -19.998 0.622 8.560 1016 HG SER 132 HG SER 132 -21.530 1.910 6.559 1017 H TRP 133 HN TRP 133 -21.360 -1.687 4.853 1018 HA TRP 133 HA TRP 133 -23.473 -1.446 3.473 1019 1HB TRP 133 HB2 TRP 133 -24.162 0.764 4.281 1020 2HB TRP 133 HB1 TRP 133 -22.697 1.493 3.612 1021 HD1 TRP 133 HD1 TRP 133 -22.994 2.514 1.316 1022 HE1 TRP 133 HE1 TRP 133 -24.620 2.192 -0.659 1023 HE3 TRP 133 HE3 TRP 133 -25.803 -1.357 3.107 1024 HZ2 TRP 133 HZ2 TRP 133 -26.822 0.515 -1.382 1025 HZ3 TRP 133 HZ3 TRP 133 -27.656 -2.296 1.756 1026 HH2 TRP 133 HH2 TRP 133 -28.169 -1.366 -0.484 1027 H ALA 134 HN ALA 134 -21.891 -2.763 2.357 1028 HA ALA 134 HA ALA 134 -20.134 -1.256 0.445 1029 1HB ALA 134 HB1 ALA 134 -18.886 -3.371 0.224 1030 2HB ALA 134 HB2 ALA 134 -20.008 -4.155 1.336 1031 3HB ALA 134 HB3 ALA 134 -18.956 -2.862 1.911 Start of MODEL 11 1 HT1 PRO 1 HT2 PRO 1 4.632 9.130 -0.038 2 HT2 PRO 1 HT1 PRO 1 4.281 10.632 0.673 3 HA PRO 1 HA PRO 1 6.780 9.259 0.468 4 1HB PRO 1 HB2 PRO 1 7.279 12.125 -0.051 5 2HB PRO 1 HB1 PRO 1 7.994 10.705 -0.833 6 1HG PRO 1 HG2 PRO 1 6.036 12.418 -1.944 7 2HG PRO 1 HG1 PRO 1 6.548 10.850 -2.589 8 1HD PRO 1 HD2 PRO 1 4.024 11.523 -1.326 9 2HD PRO 1 HD1 PRO 1 4.503 9.992 -2.067 10 H VAL 2 HN VAL 2 7.361 9.267 2.571 11 HA VAL 2 HA VAL 2 7.123 11.671 4.232 12 HB VAL 2 HB VAL 2 4.937 10.828 4.653 13 1HG1 VAL 2 HG11 VAL 2 5.012 8.704 3.596 14 2HG1 VAL 2 HG12 VAL 2 4.660 8.365 5.289 15 3HG1 VAL 2 HG13 VAL 2 6.291 8.128 4.664 16 1HG2 VAL 2 HG21 VAL 2 4.990 10.246 6.971 17 2HG2 VAL 2 HG22 VAL 2 6.419 11.245 6.706 18 3HG2 VAL 2 HG23 VAL 2 6.577 9.492 6.821 19 H MET 3 HN MET 3 8.783 11.693 5.728 20 HA MET 3 HA MET 3 10.538 9.261 5.868 21 1HB MET 3 HB2 MET 3 11.079 12.194 6.282 22 2HB MET 3 HB1 MET 3 12.273 10.902 6.416 23 1HG MET 3 HG2 MET 3 11.516 10.242 4.012 24 2HG MET 3 HG1 MET 3 10.780 11.843 3.958 25 1HE MET 3 HE1 MET 3 13.179 13.419 5.942 26 2HE MET 3 HE2 MET 3 11.901 13.848 4.808 27 3HE MET 3 HE3 MET 3 13.567 14.297 4.456 28 H HIS 4 HN HIS 4 11.043 8.424 7.920 29 HA HIS 4 HA HIS 4 10.367 9.974 10.349 30 1HB HIS 4 HB2 HIS 4 8.948 8.161 11.260 31 2HB HIS 4 HB1 HIS 4 8.240 8.890 9.818 32 HD1 HIS 4 HD1 HIS 4 9.015 5.676 11.217 33 HD2 HIS 4 HD2 HIS 4 9.043 7.265 7.364 34 HE1 HIS 4 HE1 HIS 4 8.978 3.704 9.629 35 HA PRO 5 HA PRO 5 14.134 7.227 10.663 36 1HB PRO 5 HB2 PRO 5 15.255 9.465 12.190 37 2HB PRO 5 HB1 PRO 5 15.863 8.725 10.704 38 1HG PRO 5 HG2 PRO 5 14.684 11.279 10.878 39 2HG PRO 5 HG1 PRO 5 14.933 10.363 9.387 40 1HD PRO 5 HD2 PRO 5 12.416 10.867 10.841 41 2HD PRO 5 HD1 PRO 5 12.644 10.295 9.176 42 H HIS 6 HN HIS 6 14.236 5.864 12.451 43 HA HIS 6 HA HIS 6 12.432 5.859 14.547 44 1HB HIS 6 HB2 HIS 6 13.999 4.413 15.768 45 2HB HIS 6 HB1 HIS 6 13.977 3.991 14.056 46 HD1 HIS 6 HD1 HIS 6 15.760 6.651 13.360 47 HD2 HIS 6 HD2 HIS 6 16.739 3.544 15.961 48 HE1 HIS 6 HE1 HIS 6 18.284 6.657 13.564 49 H GLY 7 HN GLY 7 15.276 7.865 14.255 50 1HA GLY 7 HA2 GLY 7 14.803 8.929 17.029 51 2HA GLY 7 HA1 GLY 7 16.374 8.924 16.234 52 H ALA 8 HN ALA 8 13.047 10.108 15.470 53 HA ALA 8 HA ALA 8 13.825 12.819 15.406 54 1HB ALA 8 HB1 ALA 8 13.322 12.153 12.557 55 2HB ALA 8 HB2 ALA 8 14.847 11.537 13.180 56 3HB ALA 8 HB3 ALA 8 14.506 13.259 13.254 57 HA PRO 9 HA PRO 9 9.430 13.061 14.884 58 1HB PRO 9 HB2 PRO 9 9.095 15.354 13.297 59 2HB PRO 9 HB1 PRO 9 9.419 15.370 15.039 60 1HG PRO 9 HG2 PRO 9 11.195 16.206 12.883 61 2HG PRO 9 HG1 PRO 9 11.469 16.319 14.629 62 1HD PRO 9 HD2 PRO 9 12.520 14.332 12.725 63 2HD PRO 9 HD1 PRO 9 13.025 14.643 14.403 64 HA PRO 10 HA PRO 10 8.245 11.475 10.921 65 1HB PRO 10 HB2 PRO 10 5.641 12.560 10.641 66 2HB PRO 10 HB1 PRO 10 6.044 11.038 11.451 67 1HG PRO 10 HG2 PRO 10 5.243 13.605 12.660 68 2HG PRO 10 HG1 PRO 10 5.317 12.001 13.406 69 1HD PRO 10 HD2 PRO 10 7.172 14.152 13.791 70 2HD PRO 10 HD1 PRO 10 7.329 12.484 14.380 71 H ASN 11 HN ASN 11 9.665 12.667 9.583 72 HA ASN 11 HA ASN 11 9.026 15.412 8.809 73 1HB ASN 11 HB2 ASN 11 11.197 13.443 8.184 74 2HB ASN 11 HB1 ASN 11 10.970 14.801 7.081 75 1HD2 ASN 11 HD21 ASN 11 11.972 16.735 7.697 76 2HD2 ASN 11 HD22 ASN 11 12.555 17.068 9.256 77 H HIS 12 HN HIS 12 6.922 15.128 7.928 78 HA HIS 12 HA HIS 12 6.425 13.357 5.683 79 1HB HIS 12 HB2 HIS 12 4.910 15.759 6.749 80 2HB HIS 12 HB1 HIS 12 4.327 14.735 5.437 81 HD1 HIS 12 HD1 HIS 12 3.608 12.304 6.039 82 HD2 HIS 12 HD2 HIS 12 4.782 14.577 9.330 83 HE1 HIS 12 HE1 HIS 12 2.865 11.025 8.095 84 H ARG 13 HN ARG 13 6.318 13.961 3.448 85 HA ARG 13 HA ARG 13 6.921 16.710 2.665 86 1HB ARG 13 HB2 ARG 13 9.055 15.940 1.416 87 2HB ARG 13 HB1 ARG 13 9.166 16.232 3.140 88 1HG ARG 13 HG2 ARG 13 10.070 14.139 3.319 89 2HG ARG 13 HG1 ARG 13 8.457 13.526 3.063 90 1HD ARG 13 HD2 ARG 13 9.215 12.466 1.217 91 2HD ARG 13 HD1 ARG 13 9.474 14.023 0.448 92 HE ARG 13 HE ARG 13 11.513 12.238 1.156 93 1HH1 ARG 13 HH21 ARG 13 10.709 15.520 1.877 94 2HH1 ARG 13 HH22 ARG 13 12.341 15.974 2.217 95 1HH2 ARG 13 HH11 ARG 13 13.630 12.824 1.594 96 2HH2 ARG 13 HH12 ARG 13 13.992 14.453 2.056 97 HA PRO 14 HA PRO 14 5.085 14.162 -0.701 98 1HB PRO 14 HB2 PRO 14 2.474 15.125 -0.583 99 2HB PRO 14 HB1 PRO 14 3.018 13.679 0.286 100 1HG PRO 14 HG2 PRO 14 2.352 16.352 1.383 101 2HG PRO 14 HG1 PRO 14 2.472 14.801 2.229 102 1HD PRO 14 HD2 PRO 14 4.443 16.930 2.170 103 2HD PRO 14 HD1 PRO 14 4.566 15.359 2.985 104 H TRP 15 HN TRP 15 5.521 15.128 -2.645 105 HA TRP 15 HA TRP 15 5.824 17.982 -2.887 106 1HB TRP 15 HB2 TRP 15 5.641 15.861 -5.048 107 2HB TRP 15 HB1 TRP 15 6.229 17.508 -5.276 108 HD1 TRP 15 HD1 TRP 15 7.183 14.156 -3.758 109 HE1 TRP 15 HE1 TRP 15 9.679 14.205 -3.115 110 HE3 TRP 15 HE3 TRP 15 8.195 19.097 -4.545 111 HZ2 TRP 15 HZ2 TRP 15 11.823 16.095 -2.956 112 HZ3 TRP 15 HZ3 TRP 15 10.469 19.995 -4.141 113 HH2 TRP 15 HH2 TRP 15 12.283 18.502 -3.348 114 H GLN 16 HN GLN 16 3.083 15.979 -3.048 115 HA GLN 16 HA GLN 16 1.253 18.120 -3.557 116 1HB GLN 16 HB2 GLN 16 0.482 17.187 -5.850 117 2HB GLN 16 HB1 GLN 16 1.931 18.191 -5.834 118 1HG GLN 16 HG2 GLN 16 3.372 16.311 -6.020 119 2HG GLN 16 HG1 GLN 16 2.089 15.183 -5.586 120 1HE2 GLN 16 HE21 GLN 16 2.050 17.879 -7.975 121 2HE2 GLN 16 HE22 GLN 16 1.655 16.895 -9.301 122 H MET 17 HN MET 17 0.661 16.656 -1.596 123 HA MET 17 HA MET 17 -0.216 14.016 -2.136 124 1HB MET 17 HB2 MET 17 0.309 14.603 0.140 125 2HB MET 17 HB1 MET 17 -0.845 15.934 0.131 126 1HG MET 17 HG2 MET 17 -2.704 14.472 0.196 127 2HG MET 17 HG1 MET 17 -1.734 13.085 -0.296 128 1HE MET 17 HE1 MET 17 -3.068 12.466 3.350 129 2HE MET 17 HE2 MET 17 -2.720 11.587 1.864 130 3HE MET 17 HE3 MET 17 -3.742 13.021 1.812 131 H LYS 18 HN LYS 18 -1.415 16.908 -3.136 132 HA LYS 18 HA LYS 18 -4.249 16.706 -2.781 133 1HB LYS 18 HB2 LYS 18 -4.327 18.303 -4.737 134 2HB LYS 18 HB1 LYS 18 -3.289 18.826 -3.411 135 1HG LYS 18 HG2 LYS 18 -1.310 18.011 -4.586 136 2HG LYS 18 HG1 LYS 18 -2.315 17.369 -5.886 137 1HD LYS 18 HD2 LYS 18 -3.119 19.661 -6.381 138 2HD LYS 18 HD1 LYS 18 -2.073 20.291 -5.108 139 1HE LYS 18 HE2 LYS 18 -1.004 20.518 -7.321 140 2HE LYS 18 HE1 LYS 18 -0.095 19.413 -6.290 141 1HZ LYS 18 HZ1 LYS 18 -1.110 18.887 -8.796 142 2HZ LYS 18 HZ2 LYS 18 -2.110 18.027 -7.725 143 3HZ LYS 18 HZ3 LYS 18 -0.431 17.770 -7.717 144 H ASP 19 HN ASP 19 -2.238 14.678 -4.474 145 HA ASP 19 HA ASP 19 -4.261 14.112 -6.594 146 1HB ASP 19 HB2 ASP 19 -1.874 14.160 -7.318 147 2HB ASP 19 HB1 ASP 19 -1.505 12.885 -6.157 148 H LEU 20 HN LEU 20 -2.824 12.745 -3.675 149 HA LEU 20 HA LEU 20 -4.266 10.235 -3.933 150 1HB LEU 20 HB2 LEU 20 -3.030 11.637 -1.549 151 2HB LEU 20 HB1 LEU 20 -3.860 10.090 -1.418 152 HG LEU 20 HG LEU 20 -1.377 9.864 -1.657 153 1HD1 LEU 20 HD11 LEU 20 -1.515 7.962 -2.972 154 2HD1 LEU 20 HD12 LEU 20 -2.541 8.725 -4.183 155 3HD1 LEU 20 HD13 LEU 20 -3.224 8.219 -2.638 156 1HD2 LEU 20 HD21 LEU 20 -1.296 11.897 -3.266 157 2HD2 LEU 20 HD22 LEU 20 -1.727 10.738 -4.525 158 3HD2 LEU 20 HD23 LEU 20 -0.235 10.533 -3.610 159 H GLN 21 HN GLN 21 -4.961 13.489 -2.854 160 HA GLN 21 HA GLN 21 -7.376 12.876 -1.407 161 1HB GLN 21 HB2 GLN 21 -6.076 15.080 -1.356 162 2HB GLN 21 HB1 GLN 21 -6.758 15.419 -2.946 163 1HG GLN 21 HG2 GLN 21 -8.492 14.735 -0.564 164 2HG GLN 21 HG1 GLN 21 -8.026 16.391 -0.948 165 1HE2 GLN 21 HE21 GLN 21 -10.771 15.448 -1.052 166 2HE2 GLN 21 HE22 GLN 21 -11.281 15.540 -2.669 167 H ALA 22 HN ALA 22 -6.607 13.742 -4.774 168 HA ALA 22 HA ALA 22 -9.162 13.897 -5.911 169 1HB ALA 22 HB1 ALA 22 -8.145 13.135 -7.985 170 2HB ALA 22 HB2 ALA 22 -6.790 12.432 -7.103 171 3HB ALA 22 HB3 ALA 22 -7.004 14.182 -7.141 172 H ILE 23 HN ILE 23 -7.316 11.048 -4.887 173 HA ILE 23 HA ILE 23 -9.185 9.121 -5.970 174 HB ILE 23 HB ILE 23 -6.903 9.036 -4.018 175 1HG1 ILE 23 HG12 ILE 23 -6.115 7.273 -5.556 176 2HG1 ILE 23 HG11 ILE 23 -7.638 7.358 -6.437 177 1HG2 ILE 23 HG21 ILE 23 -9.163 7.060 -4.103 178 2HG2 ILE 23 HG22 ILE 23 -8.258 7.655 -2.715 179 3HG2 ILE 23 HG23 ILE 23 -7.523 6.482 -3.806 180 1HD1 ILE 23 HD11 ILE 23 -5.778 8.677 -7.501 181 2HD1 ILE 23 HD12 ILE 23 -5.777 9.718 -6.080 182 3HD1 ILE 23 HD13 ILE 23 -7.202 9.640 -7.113 183 H LYS 24 HN LYS 24 -8.668 10.324 -2.571 184 HA LYS 24 HA LYS 24 -10.920 9.319 -1.275 185 1HB LYS 24 HB2 LYS 24 -9.058 11.004 -0.514 186 2HB LYS 24 HB1 LYS 24 -10.196 12.227 -1.075 187 1HG LYS 24 HG2 LYS 24 -11.929 11.328 0.417 188 2HG LYS 24 HG1 LYS 24 -10.830 10.054 0.948 189 1HD LYS 24 HD2 LYS 24 -9.257 11.813 1.769 190 2HD LYS 24 HD1 LYS 24 -10.456 13.036 1.348 191 1HE LYS 24 HE2 LYS 24 -10.602 12.428 3.741 192 2HE LYS 24 HE1 LYS 24 -12.077 11.991 2.878 193 1HZ LYS 24 HZ1 LYS 24 -10.162 9.894 2.775 194 2HZ LYS 24 HZ2 LYS 24 -11.761 9.863 3.350 195 3HZ LYS 24 HZ3 LYS 24 -10.492 10.323 4.382 196 H GLN 25 HN GLN 25 -10.990 12.200 -3.444 197 HA GLN 25 HA GLN 25 -13.581 12.873 -2.965 198 1HB GLN 25 HB2 GLN 25 -12.158 12.775 -5.630 199 2HB GLN 25 HB1 GLN 25 -13.729 13.547 -5.419 200 1HG GLN 25 HG2 GLN 25 -12.723 14.945 -3.585 201 2HG GLN 25 HG1 GLN 25 -11.150 14.261 -3.997 202 1HE2 GLN 25 HE21 GLN 25 -11.919 14.181 -6.939 203 2HE2 GLN 25 HE22 GLN 25 -11.787 15.790 -7.463 204 H GLU 26 HN GLU 26 -12.291 10.327 -5.003 205 HA GLU 26 HA GLU 26 -14.926 9.315 -5.854 206 1HB GLU 26 HB2 GLU 26 -12.085 8.867 -6.609 207 2HB GLU 26 HB1 GLU 26 -13.197 7.537 -6.924 208 1HG GLU 26 HG2 GLU 26 -13.793 10.373 -7.793 209 2HG GLU 26 HG1 GLU 26 -12.883 9.254 -8.809 210 H VAL 27 HN VAL 27 -12.611 8.448 -3.282 211 HA VAL 27 HA VAL 27 -13.322 5.698 -3.183 212 HB VAL 27 HB VAL 27 -12.548 5.579 -0.957 213 1HG1 VAL 27 HG11 VAL 27 -10.425 7.054 -1.116 214 2HG1 VAL 27 HG12 VAL 27 -11.070 7.557 -2.678 215 3HG1 VAL 27 HG13 VAL 27 -10.719 5.865 -2.382 216 1HG2 VAL 27 HG21 VAL 27 -13.593 7.208 0.333 217 2HG2 VAL 27 HG22 VAL 27 -13.270 8.488 -0.822 218 3HG2 VAL 27 HG23 VAL 27 -11.976 7.895 0.212 219 H SER 28 HN SER 28 -14.634 8.681 -2.383 220 HA SER 28 HA SER 28 -16.844 8.065 -0.643 221 1HB SER 28 HB2 SER 28 -16.013 10.428 -1.218 222 2HB SER 28 HB1 SER 28 -16.853 10.253 -2.755 223 HG SER 28 HG SER 28 -18.771 10.118 -1.689 224 H GLN 29 HN GLN 29 -17.006 9.021 -4.064 225 HA GLN 29 HA GLN 29 -19.117 8.290 -5.362 226 1HB GLN 29 HB2 GLN 29 -16.832 8.161 -6.366 227 2HB GLN 29 HB1 GLN 29 -16.805 6.456 -5.924 228 1HG GLN 29 HG2 GLN 29 -18.837 6.056 -7.226 229 2HG GLN 29 HG1 GLN 29 -18.946 7.771 -7.622 230 1HE2 GLN 29 HE21 GLN 29 -16.819 4.911 -8.050 231 2HE2 GLN 29 HE22 GLN 29 -16.103 5.468 -9.484 232 H ALA 30 HN ALA 30 -17.177 5.590 -4.041 233 HA ALA 30 HA ALA 30 -19.425 3.665 -4.301 234 1HB ALA 30 HB1 ALA 30 -17.818 1.974 -3.813 235 2HB ALA 30 HB2 ALA 30 -16.705 3.128 -3.077 236 3HB ALA 30 HB3 ALA 30 -16.969 3.142 -4.824 237 H ALA 31 HN ALA 31 -18.841 1.985 -2.188 238 HA ALA 31 HA ALA 31 -20.332 3.201 -0.022 239 1HB ALA 31 HB1 ALA 31 -19.736 0.605 -0.899 240 2HB ALA 31 HB2 ALA 31 -20.615 0.997 0.573 241 3HB ALA 31 HB3 ALA 31 -18.872 0.715 0.631 242 HA PRO 32 HA PRO 32 -17.040 4.716 2.506 243 1HB PRO 32 HB2 PRO 32 -17.255 3.058 4.871 244 2HB PRO 32 HB1 PRO 32 -17.915 4.679 4.624 245 1HG PRO 32 HG2 PRO 32 -19.378 2.193 4.754 246 2HG PRO 32 HG1 PRO 32 -20.031 3.815 4.478 247 1HD PRO 32 HD2 PRO 32 -19.700 1.662 2.559 248 2HD PRO 32 HD1 PRO 32 -20.461 3.242 2.298 249 H GLY 33 HN GLY 33 -16.154 2.914 0.660 250 1HA GLY 33 HA2 GLY 33 -13.636 2.244 0.874 251 2HA GLY 33 HA1 GLY 33 -14.261 1.061 2.031 252 H SER 34 HN SER 34 -15.282 -0.758 1.260 253 HA SER 34 HA SER 34 -16.019 -2.365 -0.251 254 1HB SER 34 HB2 SER 34 -17.720 -1.490 -1.408 255 2HB SER 34 HB1 SER 34 -17.117 0.112 -1.025 256 HG SER 34 HG SER 34 -17.313 -0.865 -3.376 257 HA PRO 35 HA PRO 35 -12.676 -3.298 -3.172 258 1HB PRO 35 HB2 PRO 35 -14.374 -3.764 -5.492 259 2HB PRO 35 HB1 PRO 35 -13.521 -4.957 -4.497 260 1HG PRO 35 HG2 PRO 35 -16.347 -4.484 -4.554 261 2HG PRO 35 HG1 PRO 35 -15.473 -5.562 -3.456 262 1HD PRO 35 HD2 PRO 35 -16.724 -3.017 -2.833 263 2HD PRO 35 HD1 PRO 35 -15.916 -4.136 -1.720 264 H GLN 36 HN GLN 36 -15.305 -1.386 -4.650 265 HA GLN 36 HA GLN 36 -14.112 -0.127 -6.760 266 1HB GLN 36 HB2 GLN 36 -15.736 1.175 -4.568 267 2HB GLN 36 HB1 GLN 36 -15.396 1.934 -6.123 268 1HG GLN 36 HG2 GLN 36 -16.728 -0.773 -5.851 269 2HG GLN 36 HG1 GLN 36 -17.628 0.738 -5.992 270 1HE2 GLN 36 HE21 GLN 36 -16.940 2.127 -7.992 271 2HE2 GLN 36 HE22 GLN 36 -16.601 1.277 -9.422 272 H PHE 37 HN PHE 37 -13.380 0.483 -3.361 273 HA PHE 37 HA PHE 37 -12.027 2.817 -3.388 274 1HB PHE 37 HB2 PHE 37 -12.379 1.090 -1.545 275 2HB PHE 37 HB1 PHE 37 -10.834 0.403 -2.030 276 HD1 PHE 37 HD1 PHE 37 -11.420 1.512 0.693 277 HD2 PHE 37 HD2 PHE 37 -9.816 3.448 -2.799 278 HE1 PHE 37 HE1 PHE 37 -10.263 3.169 2.125 279 HE2 PHE 37 HE2 PHE 37 -8.669 5.086 -1.364 280 HZ PHE 37 HZ PHE 37 -8.889 4.955 1.097 281 H MET 38 HN MET 38 -10.778 -0.404 -3.934 282 HA MET 38 HA MET 38 -8.105 -0.015 -4.737 283 1HB MET 38 HB2 MET 38 -8.691 -2.253 -4.359 284 2HB MET 38 HB1 MET 38 -10.122 -2.152 -5.380 285 1HG MET 38 HG2 MET 38 -7.409 -1.733 -6.619 286 2HG MET 38 HG1 MET 38 -7.956 -3.370 -6.287 287 1HE MET 38 HE1 MET 38 -10.521 -4.235 -8.742 288 2HE MET 38 HE2 MET 38 -10.480 -4.166 -6.982 289 3HE MET 38 HE3 MET 38 -9.056 -4.704 -7.870 290 H GLN 39 HN GLN 39 -11.052 0.083 -6.706 291 HA GLN 39 HA GLN 39 -10.015 0.198 -9.269 292 1HB GLN 39 HB2 GLN 39 -12.438 0.463 -8.448 293 2HB GLN 39 HB1 GLN 39 -12.077 2.187 -8.313 294 1HG GLN 39 HG2 GLN 39 -11.459 2.278 -10.683 295 2HG GLN 39 HG1 GLN 39 -11.722 0.540 -10.838 296 1HE2 GLN 39 HE21 GLN 39 -13.228 2.198 -12.497 297 2HE2 GLN 39 HE22 GLN 39 -14.844 2.229 -11.979 298 H THR 40 HN THR 40 -10.332 2.879 -6.963 299 HA THR 40 HA THR 40 -8.708 4.742 -8.609 300 HB THR 40 HB THR 40 -9.075 5.618 -5.896 301 HG1 THR 40 HG1 THR 40 -11.512 5.365 -6.083 302 1HG2 THR 40 HG21 THR 40 -9.255 6.953 -8.080 303 2HG2 THR 40 HG22 THR 40 -10.415 7.332 -6.808 304 3HG2 THR 40 HG23 THR 40 -10.908 6.339 -8.175 305 H ILE 41 HN ILE 41 -8.023 2.787 -5.692 306 HA ILE 41 HA ILE 41 -5.311 3.957 -5.690 307 HB ILE 41 HB ILE 41 -6.212 1.383 -4.375 308 1HG1 ILE 41 HG12 ILE 41 -7.507 3.595 -3.797 309 2HG1 ILE 41 HG11 ILE 41 -6.935 2.567 -2.490 310 1HG2 ILE 41 HG21 ILE 41 -3.842 3.206 -4.025 311 2HG2 ILE 41 HG22 ILE 41 -3.847 1.489 -4.423 312 3HG2 ILE 41 HG23 ILE 41 -4.307 2.021 -2.806 313 1HD1 ILE 41 HD11 ILE 41 -6.445 5.076 -2.255 314 2HD1 ILE 41 HD12 ILE 41 -5.277 4.862 -3.556 315 3HD1 ILE 41 HD13 ILE 41 -5.074 3.988 -2.041 316 H ARG 42 HN ARG 42 -6.943 1.814 -7.644 317 HA ARG 42 HA ARG 42 -4.755 0.027 -8.279 318 1HB ARG 42 HB2 ARG 42 -7.127 -0.487 -8.875 319 2HB ARG 42 HB1 ARG 42 -7.074 0.843 -10.030 320 1HG ARG 42 HG2 ARG 42 -5.328 -0.243 -11.299 321 2HG ARG 42 HG1 ARG 42 -5.161 -1.502 -10.074 322 1HD ARG 42 HD2 ARG 42 -7.442 -2.281 -10.528 323 2HD ARG 42 HD1 ARG 42 -7.663 -0.992 -11.711 324 HE ARG 42 HE ARG 42 -5.414 -2.339 -12.611 325 1HH1 ARG 42 HH21 ARG 42 -8.638 -3.168 -11.712 326 2HH1 ARG 42 HH22 ARG 42 -8.743 -4.502 -12.812 327 1HH2 ARG 42 HH11 ARG 42 -5.534 -4.077 -14.053 328 2HH2 ARG 42 HH12 ARG 42 -6.986 -5.017 -14.137 329 H LEU 43 HN LEU 43 -6.202 2.820 -9.999 330 HA LEU 43 HA LEU 43 -3.932 2.979 -11.813 331 1HB LEU 43 HB2 LEU 43 -6.093 5.045 -11.344 332 2HB LEU 43 HB1 LEU 43 -5.083 4.868 -12.777 333 HG LEU 43 HG LEU 43 -7.016 2.748 -11.793 334 1HD1 LEU 43 HD11 LEU 43 -8.241 4.751 -12.490 335 2HD1 LEU 43 HD12 LEU 43 -8.433 3.481 -13.698 336 3HD1 LEU 43 HD13 LEU 43 -7.318 4.815 -13.991 337 1HD2 LEU 43 HD21 LEU 43 -6.682 2.016 -14.255 338 2HD2 LEU 43 HD22 LEU 43 -5.361 1.698 -13.134 339 3HD2 LEU 43 HD23 LEU 43 -5.266 3.068 -14.240 340 H ALA 44 HN ALA 44 -4.527 4.288 -8.662 341 HA ALA 44 HA ALA 44 -2.617 6.544 -9.135 342 1HB ALA 44 HB1 ALA 44 -3.236 7.362 -7.017 343 2HB ALA 44 HB2 ALA 44 -3.664 5.759 -6.417 344 3HB ALA 44 HB3 ALA 44 -4.729 6.590 -7.548 345 H VAL 45 HN VAL 45 -2.637 3.554 -7.169 346 HA VAL 45 HA VAL 45 0.149 4.021 -6.472 347 HB VAL 45 HB VAL 45 -1.770 1.719 -6.092 348 1HG1 VAL 45 HG11 VAL 45 0.138 0.689 -4.721 349 2HG1 VAL 45 HG12 VAL 45 1.213 1.773 -5.606 350 3HG1 VAL 45 HG13 VAL 45 0.270 0.562 -6.476 351 1HG2 VAL 45 HG21 VAL 45 -1.692 3.861 -4.637 352 2HG2 VAL 45 HG22 VAL 45 -0.166 3.229 -4.023 353 3HG2 VAL 45 HG23 VAL 45 -1.654 2.310 -3.800 354 H GLN 46 HN GLN 46 -1.570 2.434 -9.093 355 HA GLN 46 HA GLN 46 0.792 0.920 -9.937 356 1HB GLN 46 HB2 GLN 46 -1.550 0.135 -10.376 357 2HB GLN 46 HB1 GLN 46 -1.759 1.503 -11.469 358 1HG GLN 46 HG2 GLN 46 -1.175 -0.513 -12.736 359 2HG GLN 46 HG1 GLN 46 0.112 0.679 -12.857 360 1HE2 GLN 46 HE21 GLN 46 2.177 0.130 -11.980 361 2HE2 GLN 46 HE22 GLN 46 2.509 -1.372 -11.262 362 H GLN 47 HN GLN 47 -0.491 4.122 -10.460 363 HA GLN 47 HA GLN 47 0.932 4.478 -12.990 364 1HB GLN 47 HB2 GLN 47 -0.747 6.271 -11.263 365 2HB GLN 47 HB1 GLN 47 0.166 6.921 -12.622 366 1HG GLN 47 HG2 GLN 47 -1.655 4.531 -12.959 367 2HG GLN 47 HG1 GLN 47 -2.265 6.182 -13.093 368 1HE2 GLN 47 HE21 GLN 47 -0.180 3.767 -14.622 369 2HE2 GLN 47 HE22 GLN 47 0.056 4.625 -16.067 370 H PHE 48 HN PHE 48 0.998 6.388 -9.981 371 HA PHE 48 HA PHE 48 3.718 7.315 -10.562 372 1HB PHE 48 HB2 PHE 48 2.054 8.862 -9.636 373 2HB PHE 48 HB1 PHE 48 1.874 7.837 -8.213 374 HD1 PHE 48 HD1 PHE 48 4.146 10.118 -10.030 375 HD2 PHE 48 HD2 PHE 48 3.557 7.781 -6.474 376 HE1 PHE 48 HE1 PHE 48 6.056 11.276 -8.952 377 HE2 PHE 48 HE2 PHE 48 5.468 8.938 -5.397 378 HZ PHE 48 HZ PHE 48 6.717 10.685 -6.636 379 H ASP 49 HN ASP 49 2.509 4.537 -9.146 380 HA ASP 49 HA ASP 49 3.326 3.138 -7.368 381 1HB ASP 49 HB2 ASP 49 5.807 3.724 -8.995 382 2HB ASP 49 HB1 ASP 49 5.547 2.310 -7.976 383 HA PRO 50 HA PRO 50 5.242 6.613 -4.896 384 1HB PRO 50 HB2 PRO 50 3.543 5.671 -2.709 385 2HB PRO 50 HB1 PRO 50 3.551 7.260 -3.486 386 1HG PRO 50 HG2 PRO 50 1.540 5.266 -3.767 387 2HG PRO 50 HG1 PRO 50 1.700 6.736 -4.741 388 1HD PRO 50 HD2 PRO 50 2.267 3.964 -5.514 389 2HD PRO 50 HD1 PRO 50 2.182 5.405 -6.551 390 H THR 51 HN THR 51 6.638 6.282 -2.950 391 HA THR 51 HA THR 51 7.775 3.574 -2.928 392 HB THR 51 HB THR 51 9.463 4.516 -1.440 393 HG1 THR 51 HG1 THR 51 7.502 6.117 -0.765 394 1HG2 THR 51 HG21 THR 51 9.782 4.966 -3.792 395 2HG2 THR 51 HG22 THR 51 10.216 6.422 -2.897 396 3HG2 THR 51 HG23 THR 51 8.664 6.329 -3.732 397 H ALA 52 HN ALA 52 8.232 2.570 -0.674 398 HA ALA 52 HA ALA 52 5.787 1.981 0.611 399 1HB ALA 52 HB1 ALA 52 8.572 1.819 1.796 400 2HB ALA 52 HB2 ALA 52 7.825 0.577 0.792 401 3HB ALA 52 HB3 ALA 52 7.149 0.954 2.377 402 H LYS 53 HN LYS 53 7.928 4.633 0.919 403 HA LYS 53 HA LYS 53 7.466 5.567 3.550 404 1HB LYS 53 HB2 LYS 53 7.762 7.194 1.017 405 2HB LYS 53 HB1 LYS 53 8.027 7.774 2.658 406 1HG LYS 53 HG2 LYS 53 9.763 5.921 2.908 407 2HG LYS 53 HG1 LYS 53 9.635 5.696 1.164 408 1HD LYS 53 HD2 LYS 53 10.445 7.891 0.715 409 2HD LYS 53 HD1 LYS 53 10.228 8.399 2.390 410 1HE LYS 53 HE2 LYS 53 11.983 6.854 3.118 411 2HE LYS 53 HE1 LYS 53 12.177 6.269 1.465 412 1HZ LYS 53 HZ1 LYS 53 12.566 9.091 2.301 413 2HZ LYS 53 HZ2 LYS 53 12.884 8.430 0.768 414 3HZ LYS 53 HZ3 LYS 53 13.824 7.970 2.106 415 H ASP 54 HN ASP 54 5.733 6.608 0.554 416 HA ASP 54 HA ASP 54 3.622 8.070 1.807 417 1HB ASP 54 HB2 ASP 54 4.321 7.524 -0.760 418 2HB ASP 54 HB1 ASP 54 3.051 6.325 -0.557 419 H LEU 55 HN LEU 55 3.609 4.643 0.769 420 HA LEU 55 HA LEU 55 1.147 3.873 1.716 421 1HB LEU 55 HB2 LEU 55 3.652 2.269 2.293 422 2HB LEU 55 HB1 LEU 55 2.017 1.647 2.083 423 HG LEU 55 HG LEU 55 3.765 2.943 -0.027 424 1HD1 LEU 55 HD11 LEU 55 4.018 0.461 0.648 425 2HD1 LEU 55 HD12 LEU 55 3.772 0.807 -1.063 426 3HD1 LEU 55 HD13 LEU 55 2.428 0.232 -0.078 427 1HD2 LEU 55 HD21 LEU 55 0.813 2.300 0.002 428 2HD2 LEU 55 HD22 LEU 55 1.721 2.285 -1.510 429 3HD2 LEU 55 HD23 LEU 55 1.617 3.765 -0.561 430 H GLN 56 HN GLN 56 3.791 4.963 3.683 431 HA GLN 56 HA GLN 56 2.656 3.918 6.177 432 1HB GLN 56 HB2 GLN 56 5.123 4.395 5.810 433 2HB GLN 56 HB1 GLN 56 4.721 6.110 5.864 434 1HG GLN 56 HG2 GLN 56 3.638 5.695 8.110 435 2HG GLN 56 HG1 GLN 56 4.317 4.068 8.061 436 1HE2 GLN 56 HE21 GLN 56 5.657 4.674 9.977 437 2HE2 GLN 56 HE22 GLN 56 7.052 5.618 9.765 438 H ASP 57 HN ASP 57 2.782 7.066 4.497 439 HA ASP 57 HA ASP 57 1.052 8.310 6.563 440 1HB ASP 57 HB2 ASP 57 2.788 9.719 5.581 441 2HB ASP 57 HB1 ASP 57 2.187 9.378 3.958 442 H LEU 58 HN LEU 58 0.514 6.422 3.814 443 HA LEU 58 HA LEU 58 -2.140 7.682 3.282 444 1HB LEU 58 HB2 LEU 58 -0.430 5.613 1.934 445 2HB LEU 58 HB1 LEU 58 -2.171 5.480 1.715 446 HG LEU 58 HG LEU 58 -1.006 6.810 -0.059 447 1HD1 LEU 58 HD11 LEU 58 -3.473 7.199 0.892 448 2HD1 LEU 58 HD12 LEU 58 -2.786 8.259 -0.333 449 3HD1 LEU 58 HD13 LEU 58 -2.796 8.761 1.354 450 1HD2 LEU 58 HD21 LEU 58 0.619 7.838 1.638 451 2HD2 LEU 58 HD22 LEU 58 -0.681 8.957 2.043 452 3HD2 LEU 58 HD23 LEU 58 -0.029 8.923 0.410 453 H LEU 59 HN LEU 59 -0.721 5.020 5.005 454 HA LEU 59 HA LEU 59 -3.412 3.853 5.527 455 1HB LEU 59 HB2 LEU 59 -0.595 2.944 5.804 456 2HB LEU 59 HB1 LEU 59 -1.633 2.464 7.143 457 HG LEU 59 HG LEU 59 -3.262 1.539 5.459 458 1HD1 LEU 59 HD11 LEU 59 -0.971 2.144 3.564 459 2HD1 LEU 59 HD12 LEU 59 -2.582 2.862 3.519 460 3HD1 LEU 59 HD13 LEU 59 -2.370 1.147 3.163 461 1HD2 LEU 59 HD21 LEU 59 -1.850 -0.449 4.914 462 2HD2 LEU 59 HD22 LEU 59 -1.691 0.057 6.597 463 3HD2 LEU 59 HD23 LEU 59 -0.427 0.456 5.433 464 H GLN 60 HN GLN 60 -1.147 6.074 6.875 465 HA GLN 60 HA GLN 60 -2.309 5.839 9.587 466 1HB GLN 60 HB2 GLN 60 -0.121 7.555 8.411 467 2HB GLN 60 HB1 GLN 60 -0.664 7.693 10.082 468 1HG GLN 60 HG2 GLN 60 0.245 5.073 8.871 469 2HG GLN 60 HG1 GLN 60 1.344 6.168 9.710 470 1HE2 GLN 60 HE21 GLN 60 0.406 6.889 11.995 471 2HE2 GLN 60 HE22 GLN 60 -0.291 5.647 12.918 472 H TYR 61 HN TYR 61 -2.577 7.850 6.730 473 HA TYR 61 HA TYR 61 -4.211 9.862 8.241 474 1HB TYR 61 HB2 TYR 61 -2.246 10.730 6.981 475 2HB TYR 61 HB1 TYR 61 -2.954 10.096 5.494 476 HD1 TYR 61 HD1 TYR 61 -4.947 11.103 4.510 477 HD2 TYR 61 HD2 TYR 61 -3.263 12.626 8.157 478 HE1 TYR 61 HE1 TYR 61 -6.333 13.149 4.296 479 HE2 TYR 61 HE2 TYR 61 -4.650 14.671 7.943 480 HH TYR 61 HH TYR 61 -7.266 14.937 6.148 481 H LEU 62 HN LEU 62 -4.157 8.192 5.055 482 HA LEU 62 HA LEU 62 -6.921 8.867 4.525 483 1HB LEU 62 HB2 LEU 62 -4.907 8.019 2.934 484 2HB LEU 62 HB1 LEU 62 -5.677 6.465 3.220 485 HG LEU 62 HG LEU 62 -6.629 7.403 1.211 486 1HD1 LEU 62 HD11 LEU 62 -8.711 7.978 3.313 487 2HD1 LEU 62 HD12 LEU 62 -8.134 6.336 3.024 488 3HD1 LEU 62 HD13 LEU 62 -8.917 7.237 1.727 489 1HD2 LEU 62 HD21 LEU 62 -7.746 9.819 2.603 490 2HD2 LEU 62 HD22 LEU 62 -7.303 9.595 0.915 491 3HD2 LEU 62 HD23 LEU 62 -6.049 9.861 2.121 492 H CYS 63 HN CYS 63 -5.346 6.156 6.107 493 HA CYS 63 HA CYS 63 -8.028 4.891 6.523 494 1HB CYS 63 HB2 CYS 63 -5.338 3.657 7.135 495 2HB CYS 63 HB1 CYS 63 -6.891 2.847 6.966 496 HG CYS 63 HG CYS 63 -6.755 3.041 4.449 497 H SER 64 HN SER 64 -6.643 3.474 8.899 498 HA SER 64 HA SER 64 -5.979 5.636 10.724 499 1HB SER 64 HB2 SER 64 -8.551 4.082 11.178 500 2HB SER 64 HB1 SER 64 -7.839 5.222 12.315 501 HG SER 64 HG SER 64 -8.908 6.672 11.244 502 H SER 65 HN SER 65 -5.641 4.714 13.001 503 HA SER 65 HA SER 65 -3.689 2.807 13.077 504 1HB SER 65 HB2 SER 65 -5.845 3.168 15.172 505 2HB SER 65 HB1 SER 65 -4.296 2.371 15.435 506 HG SER 65 HG SER 65 -3.597 4.309 15.830 507 H LEU 66 HN LEU 66 -7.070 1.864 13.968 508 HA LEU 66 HA LEU 66 -6.705 -0.860 14.053 509 1HB LEU 66 HB2 LEU 66 -8.823 0.240 14.599 510 2HB LEU 66 HB1 LEU 66 -9.066 0.658 12.906 511 HG LEU 66 HG LEU 66 -9.216 -1.717 12.311 512 1HD1 LEU 66 HD11 LEU 66 -7.813 -2.884 13.791 513 2HD1 LEU 66 HD12 LEU 66 -9.415 -3.316 14.383 514 3HD1 LEU 66 HD13 LEU 66 -8.473 -2.076 15.213 515 1HD2 LEU 66 HD21 LEU 66 -10.946 -0.960 14.686 516 2HD2 LEU 66 HD22 LEU 66 -11.315 -2.239 13.530 517 3HD2 LEU 66 HD23 LEU 66 -11.269 -0.558 12.999 518 H VAL 67 HN VAL 67 -8.224 0.537 11.152 519 HA VAL 67 HA VAL 67 -8.107 -1.459 9.417 520 HB VAL 67 HB VAL 67 -7.128 1.317 8.711 521 1HG1 VAL 67 HG11 VAL 67 -8.112 -0.995 7.033 522 2HG1 VAL 67 HG12 VAL 67 -6.605 -0.095 6.862 523 3HG1 VAL 67 HG13 VAL 67 -8.140 0.669 6.451 524 1HG2 VAL 67 HG21 VAL 67 -9.308 1.350 9.798 525 2HG2 VAL 67 HG22 VAL 67 -9.880 0.045 8.759 526 3HG2 VAL 67 HG23 VAL 67 -9.531 1.632 8.071 527 H ALA 68 HN ALA 68 -5.250 0.721 9.626 528 HA ALA 68 HA ALA 68 -3.384 -0.688 8.104 529 1HB ALA 68 HB1 ALA 68 -2.855 0.651 10.770 530 2HB ALA 68 HB2 ALA 68 -2.968 1.495 9.225 531 3HB ALA 68 HB3 ALA 68 -1.669 0.335 9.504 532 H SER 69 HN SER 69 -4.487 -1.360 11.384 533 HA SER 69 HA SER 69 -2.595 -3.279 12.206 534 1HB SER 69 HB2 SER 69 -4.650 -2.286 13.451 535 2HB SER 69 HB1 SER 69 -5.539 -3.633 12.746 536 HG SER 69 HG SER 69 -4.700 -4.785 14.277 537 H LEU 70 HN LEU 70 -5.814 -4.037 10.894 538 HA LEU 70 HA LEU 70 -4.861 -6.661 10.011 539 1HB LEU 70 HB2 LEU 70 -7.594 -5.528 9.457 540 2HB LEU 70 HB1 LEU 70 -7.154 -7.222 9.687 541 HG LEU 70 HG LEU 70 -7.154 -5.069 11.823 542 1HD1 LEU 70 HD11 LEU 70 -9.399 -5.874 11.053 543 2HD1 LEU 70 HD12 LEU 70 -9.056 -6.264 12.739 544 3HD1 LEU 70 HD13 LEU 70 -8.918 -7.511 11.500 545 1HD2 LEU 70 HD21 LEU 70 -6.778 -7.080 13.325 546 2HD2 LEU 70 HD22 LEU 70 -5.406 -6.649 12.303 547 3HD2 LEU 70 HD23 LEU 70 -6.438 -8.011 11.866 548 H HIS 71 HN HIS 71 -5.621 -3.650 8.365 549 HA HIS 71 HA HIS 71 -5.972 -4.674 5.886 550 1HB HIS 71 HB2 HIS 71 -6.036 -2.286 6.237 551 2HB HIS 71 HB1 HIS 71 -4.335 -2.249 6.672 552 HD1 HIS 71 HD1 HIS 71 -4.081 -4.405 3.993 553 HD2 HIS 71 HD2 HIS 71 -5.055 -0.357 4.186 554 HE1 HIS 71 HE1 HIS 71 -3.563 -3.431 1.714 555 H HIS 72 HN HIS 72 -2.828 -3.665 7.246 556 HA HIS 72 HA HIS 72 -1.182 -4.823 5.241 557 1HB HIS 72 HB2 HIS 72 -0.239 -3.130 6.720 558 2HB HIS 72 HB1 HIS 72 -0.561 -4.128 8.138 559 HD1 HIS 72 HD1 HIS 72 1.865 -3.637 5.361 560 HD2 HIS 72 HD2 HIS 72 1.179 -6.434 8.375 561 HE1 HIS 72 HE1 HIS 72 3.947 -5.072 5.495 562 H GLN 73 HN GLN 73 -2.376 -6.075 8.349 563 HA GLN 73 HA GLN 73 -1.018 -8.438 8.681 564 1HB GLN 73 HB2 GLN 73 -3.014 -7.672 9.977 565 2HB GLN 73 HB1 GLN 73 -4.037 -8.366 8.713 566 1HG GLN 73 HG2 GLN 73 -1.944 -9.895 10.279 567 2HG GLN 73 HG1 GLN 73 -3.659 -9.867 10.687 568 1HE2 GLN 73 HE21 GLN 73 -1.453 -11.789 9.174 569 2HE2 GLN 73 HE22 GLN 73 -2.451 -12.539 8.025 570 H GLN 74 HN GLN 74 -3.676 -7.970 6.278 571 HA GLN 74 HA GLN 74 -3.654 -10.495 5.155 572 1HB GLN 74 HB2 GLN 74 -4.158 -7.764 4.077 573 2HB GLN 74 HB1 GLN 74 -3.839 -8.992 2.860 574 1HG GLN 74 HG2 GLN 74 -6.287 -8.686 3.501 575 2HG GLN 74 HG1 GLN 74 -5.674 -10.336 3.596 576 1HE2 GLN 74 HE21 GLN 74 -4.939 -7.806 6.001 577 2HE2 GLN 74 HE22 GLN 74 -5.780 -8.544 7.277 578 H LEU 75 HN LEU 75 -1.739 -7.592 4.044 579 HA LEU 75 HA LEU 75 0.345 -8.638 2.431 580 1HB LEU 75 HB2 LEU 75 -0.282 -6.250 3.555 581 2HB LEU 75 HB1 LEU 75 1.054 -6.732 4.593 582 HG LEU 75 HG LEU 75 1.147 -6.644 1.556 583 1HD1 LEU 75 HD11 LEU 75 2.524 -4.676 1.828 584 2HD1 LEU 75 HD12 LEU 75 2.486 -4.834 3.583 585 3HD1 LEU 75 HD13 LEU 75 1.017 -4.414 2.703 586 1HD2 LEU 75 HD21 LEU 75 3.631 -6.901 2.021 587 2HD2 LEU 75 HD22 LEU 75 2.663 -8.328 2.387 588 3HD2 LEU 75 HD23 LEU 75 3.207 -7.273 3.692 589 H ASP 76 HN ASP 76 0.770 -8.152 5.922 590 HA ASP 76 HA ASP 76 3.057 -9.177 6.688 591 1HB ASP 76 HB2 ASP 76 1.155 -8.837 8.176 592 2HB ASP 76 HB1 ASP 76 0.561 -10.440 7.759 593 H SER 77 HN SER 77 0.473 -11.567 6.388 594 HA SER 77 HA SER 77 2.273 -13.794 6.043 595 1HB SER 77 HB2 SER 77 -0.731 -13.494 5.915 596 2HB SER 77 HB1 SER 77 0.109 -15.042 5.761 597 HG SER 77 HG SER 77 -0.228 -14.907 7.890 598 H LEU 78 HN LEU 78 0.232 -11.878 3.800 599 HA LEU 78 HA LEU 78 0.099 -13.683 1.735 600 1HB LEU 78 HB2 LEU 78 -0.014 -10.780 1.977 601 2HB LEU 78 HB1 LEU 78 0.685 -11.224 0.427 602 HG LEU 78 HG LEU 78 -1.326 -12.877 0.281 603 1HD1 LEU 78 HD11 LEU 78 -2.589 -10.837 2.108 604 2HD1 LEU 78 HD12 LEU 78 -1.920 -12.345 2.732 605 3HD1 LEU 78 HD13 LEU 78 -3.247 -12.382 1.570 606 1HD2 LEU 78 HD21 LEU 78 -1.161 -11.029 -1.246 607 2HD2 LEU 78 HD22 LEU 78 -1.548 -9.868 0.023 608 3HD2 LEU 78 HD23 LEU 78 -2.791 -10.967 -0.576 609 H ILE 79 HN ILE 79 2.704 -11.232 2.264 610 HA ILE 79 HA ILE 79 4.543 -12.085 0.362 611 HB ILE 79 HB ILE 79 4.599 -10.784 3.069 612 1HG1 ILE 79 HG12 ILE 79 4.244 -9.437 1.048 613 2HG1 ILE 79 HG11 ILE 79 5.754 -8.992 1.832 614 1HG2 ILE 79 HG21 ILE 79 7.059 -11.946 1.747 615 2HG2 ILE 79 HG22 ILE 79 6.506 -12.157 3.409 616 3HG2 ILE 79 HG23 ILE 79 7.137 -10.598 2.883 617 1HD1 ILE 79 HD11 ILE 79 5.292 -10.207 -0.821 618 2HD1 ILE 79 HD12 ILE 79 6.626 -10.925 0.076 619 3HD1 ILE 79 HD13 ILE 79 6.622 -9.196 -0.266 620 H SER 80 HN SER 80 4.316 -13.153 3.791 621 HA SER 80 HA SER 80 6.201 -15.171 3.802 622 1HB SER 80 HB2 SER 80 4.519 -14.501 5.652 623 2HB SER 80 HB1 SER 80 3.448 -15.697 4.928 624 HG SER 80 HG SER 80 5.729 -16.021 6.424 625 H GLU 81 HN GLU 81 2.839 -15.503 2.579 626 HA GLU 81 HA GLU 81 3.410 -18.208 1.613 627 1HB GLU 81 HB2 GLU 81 1.177 -17.487 2.487 628 2HB GLU 81 HB1 GLU 81 1.017 -16.425 1.089 629 1HG GLU 81 HG2 GLU 81 1.095 -18.306 -0.431 630 2HG GLU 81 HG1 GLU 81 1.474 -19.413 0.890 631 H ALA 82 HN ALA 82 3.610 -14.957 0.268 632 HA ALA 82 HA ALA 82 3.114 -15.847 -2.352 633 1HB ALA 82 HB1 ALA 82 4.694 -13.371 -1.589 634 2HB ALA 82 HB2 ALA 82 2.934 -13.469 -1.670 635 3HB ALA 82 HB3 ALA 82 3.900 -13.651 -3.136 636 H GLU 83 HN GLU 83 6.019 -15.301 -0.444 637 HA GLU 83 HA GLU 83 7.898 -15.859 -2.592 638 1HB GLU 83 HB2 GLU 83 9.632 -15.580 -0.882 639 2HB GLU 83 HB1 GLU 83 8.433 -14.297 -0.714 640 1HG GLU 83 HG2 GLU 83 7.273 -15.765 1.010 641 2HG GLU 83 HG1 GLU 83 8.699 -16.803 0.964 642 H THR 84 HN THR 84 6.536 -17.697 0.153 643 HA THR 84 HA THR 84 8.302 -19.916 0.061 644 HB THR 84 HB THR 84 6.409 -19.495 1.709 645 HG1 THR 84 HG1 THR 84 6.064 -22.088 0.980 646 1HG2 THR 84 HG21 THR 84 4.662 -19.277 -0.083 647 2HG2 THR 84 HG22 THR 84 4.241 -20.366 1.226 648 3HG2 THR 84 HG23 THR 84 4.775 -21.013 -0.326 649 H ARG 85 HN ARG 85 5.310 -19.193 -1.710 650 HA ARG 85 HA ARG 85 4.874 -21.351 -3.310 651 1HB ARG 85 HB2 ARG 85 3.477 -19.445 -3.560 652 2HB ARG 85 HB1 ARG 85 4.827 -18.416 -4.017 653 1HG ARG 85 HG2 ARG 85 4.395 -20.775 -5.796 654 2HG ARG 85 HG1 ARG 85 3.108 -19.576 -5.825 655 1HD ARG 85 HD2 ARG 85 4.705 -17.809 -6.387 656 2HD ARG 85 HD1 ARG 85 6.052 -18.939 -6.267 657 HE ARG 85 HE ARG 85 4.372 -20.101 -8.142 658 1HH1 ARG 85 HH21 ARG 85 5.878 -17.035 -7.676 659 2HH1 ARG 85 HH22 ARG 85 6.020 -16.699 -9.369 660 1HH2 ARG 85 HH11 ARG 85 4.548 -19.680 -10.355 661 2HH2 ARG 85 HH12 ARG 85 5.267 -18.197 -10.886 662 H GLY 86 HN GLY 86 7.554 -19.015 -3.682 663 1HA GLY 86 HA2 GLY 86 9.660 -19.936 -4.618 664 2HA GLY 86 HA1 GLY 86 8.697 -20.795 -5.817 665 H ILE 87 HN ILE 87 8.843 -17.388 -4.651 666 HA ILE 87 HA ILE 87 8.244 -16.351 -7.284 667 HB ILE 87 HB ILE 87 7.860 -15.233 -4.996 668 1HG1 ILE 87 HG12 ILE 87 8.283 -12.930 -5.984 669 2HG1 ILE 87 HG11 ILE 87 9.073 -13.727 -7.336 670 1HG2 ILE 87 HG21 ILE 87 10.582 -15.491 -4.662 671 2HG2 ILE 87 HG22 ILE 87 9.567 -14.366 -3.769 672 3HG2 ILE 87 HG23 ILE 87 10.451 -13.810 -5.181 673 1HD1 ILE 87 HD11 ILE 87 6.334 -14.692 -6.613 674 2HD1 ILE 87 HD12 ILE 87 7.100 -14.545 -8.194 675 3HD1 ILE 87 HD13 ILE 87 6.469 -13.114 -7.386 676 H THR 88 HN THR 88 10.590 -14.320 -6.751 677 HA THR 88 HA THR 88 12.387 -15.443 -8.712 678 HB THR 88 HB THR 88 13.903 -13.517 -7.917 679 HG1 THR 88 HG1 THR 88 11.551 -12.774 -6.541 680 1HG2 THR 88 HG21 THR 88 11.067 -12.901 -8.794 681 2HG2 THR 88 HG22 THR 88 12.403 -13.333 -9.861 682 3HG2 THR 88 HG23 THR 88 12.449 -11.817 -8.962 683 H SER 89 HN SER 89 12.106 -17.372 -6.781 684 HA SER 89 HA SER 89 13.267 -18.693 -5.241 685 1HB SER 89 HB2 SER 89 14.831 -18.715 -7.252 686 2HB SER 89 HB1 SER 89 15.731 -17.416 -6.476 687 HG SER 89 HG SER 89 16.537 -18.808 -5.111 688 H TYR 90 HN TYR 90 12.673 -15.774 -4.751 689 HA TYR 90 HA TYR 90 13.195 -14.041 -3.264 690 1HB TYR 90 HB2 TYR 90 12.979 -15.008 -0.897 691 2HB TYR 90 HB1 TYR 90 11.671 -15.349 -2.039 692 HD1 TYR 90 HD1 TYR 90 14.598 -16.749 -0.287 693 HD2 TYR 90 HD2 TYR 90 11.354 -17.579 -2.978 694 HE1 TYR 90 HE1 TYR 90 14.998 -19.181 -0.019 695 HE2 TYR 90 HE2 TYR 90 11.754 -20.012 -2.709 696 HH TYR 90 HH TYR 90 14.054 -21.425 -1.998 697 H ASN 91 HN ASN 91 14.652 -12.928 -2.056 698 HA ASN 91 HA ASN 91 16.517 -14.005 -0.452 699 1HB ASN 91 HB2 ASN 91 17.443 -14.158 -3.189 700 2HB ASN 91 HB1 ASN 91 18.507 -13.041 -2.342 701 1HD2 ASN 91 HD21 ASN 91 17.620 -16.402 -2.692 702 2HD2 ASN 91 HD22 ASN 91 18.735 -17.019 -1.571 703 HA PRO 92 HA PRO 92 17.382 -9.315 -1.056 704 1HB PRO 92 HB2 PRO 92 15.096 -8.318 -2.594 705 2HB PRO 92 HB1 PRO 92 16.821 -8.084 -2.905 706 1HG PRO 92 HG2 PRO 92 15.125 -9.719 -4.443 707 2HG PRO 92 HG1 PRO 92 16.890 -9.800 -4.443 708 1HD PRO 92 HD2 PRO 92 14.945 -11.651 -3.198 709 2HD PRO 92 HD1 PRO 92 16.641 -11.947 -3.632 710 H LEU 93 HN LEU 93 14.032 -10.529 -1.123 711 HA LEU 93 HA LEU 93 12.767 -8.759 0.697 712 1HB LEU 93 HB2 LEU 93 12.328 -11.726 0.935 713 2HB LEU 93 HB1 LEU 93 11.156 -10.412 1.051 714 HG LEU 93 HG LEU 93 11.996 -10.003 -1.499 715 1HD1 LEU 93 HD11 LEU 93 12.696 -11.876 -2.628 716 2HD1 LEU 93 HD12 LEU 93 11.939 -12.997 -1.495 717 3HD1 LEU 93 HD13 LEU 93 13.447 -12.191 -1.062 718 1HD2 LEU 93 HD21 LEU 93 10.033 -11.498 -2.196 719 2HD2 LEU 93 HD22 LEU 93 9.678 -10.212 -1.043 720 3HD2 LEU 93 HD23 LEU 93 9.853 -11.876 -0.481 721 H ALA 94 HN ALA 94 14.369 -11.760 1.420 722 HA ALA 94 HA ALA 94 14.847 -12.406 3.866 723 1HB ALA 94 HB1 ALA 94 17.243 -12.293 3.723 724 2HB ALA 94 HB2 ALA 94 17.139 -11.083 2.444 725 3HB ALA 94 HB3 ALA 94 16.549 -12.728 2.158 726 H GLY 95 HN GLY 95 16.069 -9.228 2.862 727 1HA GLY 95 HA2 GLY 95 16.562 -8.199 5.523 728 2HA GLY 95 HA1 GLY 95 16.473 -7.241 4.038 729 HA PRO 96 HA PRO 96 12.705 -6.483 6.444 730 1HB PRO 96 HB2 PRO 96 12.674 -3.643 5.892 731 2HB PRO 96 HB1 PRO 96 13.140 -4.427 7.411 732 1HG PRO 96 HG2 PRO 96 14.884 -3.190 5.410 733 2HG PRO 96 HG1 PRO 96 15.320 -3.818 7.006 734 1HD PRO 96 HD2 PRO 96 15.831 -5.044 4.426 735 2HD PRO 96 HD1 PRO 96 16.281 -5.661 6.025 736 H LEU 97 HN LEU 97 10.442 -5.283 5.393 737 HA LEU 97 HA LEU 97 10.418 -6.044 2.577 738 1HB LEU 97 HB2 LEU 97 8.360 -4.824 4.440 739 2HB LEU 97 HB1 LEU 97 8.037 -5.028 2.719 740 HG LEU 97 HG LEU 97 8.381 -7.427 2.883 741 1HD1 LEU 97 HD11 LEU 97 9.254 -6.740 5.693 742 2HD1 LEU 97 HD12 LEU 97 10.120 -7.673 4.472 743 3HD1 LEU 97 HD13 LEU 97 8.711 -8.365 5.273 744 1HD2 LEU 97 HD21 LEU 97 6.148 -6.517 3.492 745 2HD2 LEU 97 HD22 LEU 97 6.654 -6.449 5.180 746 3HD2 LEU 97 HD23 LEU 97 6.511 -8.006 4.364 747 H ARG 98 HN ARG 98 9.836 -2.916 4.268 748 HA ARG 98 HA ARG 98 9.624 -1.127 2.236 749 1HB ARG 98 HB2 ARG 98 11.249 -0.984 4.764 750 2HB ARG 98 HB1 ARG 98 11.295 0.370 3.639 751 1HG ARG 98 HG2 ARG 98 8.962 0.757 3.830 752 2HG ARG 98 HG1 ARG 98 8.681 -0.795 4.607 753 1HD ARG 98 HD2 ARG 98 10.169 1.572 5.765 754 2HD ARG 98 HD1 ARG 98 8.598 0.982 6.289 755 HE ARG 98 HE ARG 98 11.170 0.048 7.176 756 1HH1 ARG 98 HH21 ARG 98 8.070 -1.152 6.231 757 2HH1 ARG 98 HH22 ARG 98 8.324 -2.708 6.948 758 1HH2 ARG 98 HH11 ARG 98 11.494 -1.958 8.115 759 2HH2 ARG 98 HH12 ARG 98 10.252 -3.161 8.014 760 H VAL 99 HN VAL 99 12.316 -3.093 2.918 761 HA VAL 99 HA VAL 99 14.298 -1.686 1.267 762 HB VAL 99 HB VAL 99 14.267 -3.986 3.080 763 1HG1 VAL 99 HG11 VAL 99 15.735 -4.405 0.448 764 2HG1 VAL 99 HG12 VAL 99 14.431 -5.403 1.093 765 3HG1 VAL 99 HG13 VAL 99 15.994 -5.360 1.907 766 1HG2 VAL 99 HG21 VAL 99 16.784 -3.495 3.049 767 2HG2 VAL 99 HG22 VAL 99 15.745 -2.142 3.494 768 3HG2 VAL 99 HG23 VAL 99 16.436 -2.233 1.874 769 H GLN 100 HN GLN 100 12.156 -4.466 0.900 770 HA GLN 100 HA GLN 100 12.891 -5.424 -1.607 771 1HB GLN 100 HB2 GLN 100 10.143 -5.056 -0.394 772 2HB GLN 100 HB1 GLN 100 10.389 -5.867 -1.939 773 1HG GLN 100 HG2 GLN 100 11.823 -7.507 -0.918 774 2HG GLN 100 HG1 GLN 100 11.768 -6.663 0.630 775 1HE2 GLN 100 HE21 GLN 100 9.071 -7.364 -1.647 776 2HE2 GLN 100 HE22 GLN 100 8.165 -8.268 -0.532 777 H ALA 101 HN ALA 101 10.368 -2.897 -1.107 778 HA ALA 101 HA ALA 101 10.626 -2.234 -3.982 779 1HB ALA 101 HB1 ALA 101 8.782 -0.491 -3.311 780 2HB ALA 101 HB2 ALA 101 8.739 -1.373 -1.786 781 3HB ALA 101 HB3 ALA 101 8.360 -2.202 -3.293 782 H ASN 102 HN ASN 102 11.517 -0.594 -0.950 783 HA ASN 102 HA ASN 102 12.180 1.856 -2.360 784 1HB ASN 102 HB2 ASN 102 13.413 0.890 0.238 785 2HB ASN 102 HB1 ASN 102 13.303 2.549 -0.344 786 1HD2 ASN 102 HD21 ASN 102 10.432 1.570 -1.357 787 2HD2 ASN 102 HD22 ASN 102 9.480 1.798 0.030 788 H ASN 103 HN ASN 103 13.158 -0.422 -3.763 789 HA ASN 103 HA ASN 103 16.102 0.101 -3.667 790 1HB ASN 103 HB2 ASN 103 15.604 -2.024 -2.487 791 2HB ASN 103 HB1 ASN 103 14.820 -2.625 -3.949 792 1HD2 ASN 103 HD21 ASN 103 17.561 -0.557 -4.485 793 2HD2 ASN 103 HD22 ASN 103 18.668 -1.780 -4.885 794 HA PRO 104 HA PRO 104 14.352 0.603 -7.961 795 1HB PRO 104 HB2 PRO 104 16.737 2.221 -8.474 796 2HB PRO 104 HB1 PRO 104 15.037 2.712 -8.520 797 1HG PRO 104 HG2 PRO 104 16.924 3.448 -6.535 798 2HG PRO 104 HG1 PRO 104 15.171 3.670 -6.438 799 1HD PRO 104 HD2 PRO 104 16.853 1.742 -5.005 800 2HD PRO 104 HD1 PRO 104 15.149 2.152 -4.712 801 H GLN 105 HN GLN 105 17.624 -0.214 -6.839 802 HA GLN 105 HA GLN 105 18.555 -1.259 -9.339 803 1HB GLN 105 HB2 GLN 105 19.301 -2.168 -6.538 804 2HB GLN 105 HB1 GLN 105 20.238 -2.448 -8.006 805 1HG GLN 105 HG2 GLN 105 20.407 0.035 -8.307 806 2HG GLN 105 HG1 GLN 105 19.612 0.236 -6.745 807 1HE2 GLN 105 HE21 GLN 105 22.008 -2.293 -7.568 808 2HE2 GLN 105 HE22 GLN 105 23.180 -1.767 -6.457 809 H GLN 106 HN GLN 106 16.264 -2.402 -7.056 810 HA GLN 106 HA GLN 106 15.917 -4.907 -8.643 811 1HB GLN 106 HB2 GLN 106 15.820 -4.808 -5.609 812 2HB GLN 106 HB1 GLN 106 15.640 -6.236 -6.628 813 1HG GLN 106 HG2 GLN 106 18.140 -4.524 -6.472 814 2HG GLN 106 HG1 GLN 106 17.920 -6.067 -5.649 815 1HE2 GLN 106 HE21 GLN 106 16.765 -7.696 -7.533 816 2HE2 GLN 106 HE22 GLN 106 17.748 -7.825 -8.911 817 H GLN 107 HN GLN 107 14.231 -3.192 -9.408 818 HA GLN 107 HA GLN 107 12.045 -2.641 -7.557 819 1HB GLN 107 HB2 GLN 107 10.953 -1.696 -9.624 820 2HB GLN 107 HB1 GLN 107 12.534 -1.001 -9.265 821 1HG GLN 107 HG2 GLN 107 13.585 -2.505 -10.906 822 2HG GLN 107 HG1 GLN 107 12.018 -3.237 -11.250 823 1HE2 GLN 107 HE21 GLN 107 14.063 -1.262 -12.738 824 2HE2 GLN 107 HE22 GLN 107 13.002 -0.142 -13.445 825 H GLY 108 HN GLY 108 12.887 -5.390 -9.371 826 1HA GLY 108 HA2 GLY 108 10.452 -6.304 -10.468 827 2HA GLY 108 HA1 GLY 108 11.649 -7.379 -9.735 828 H LEU 109 HN LEU 109 11.629 -6.413 -7.178 829 HA LEU 109 HA LEU 109 9.169 -7.599 -6.081 830 1HB LEU 109 HB2 LEU 109 11.519 -6.286 -4.694 831 2HB LEU 109 HB1 LEU 109 10.233 -7.197 -3.898 832 HG LEU 109 HG LEU 109 12.046 -8.326 -6.049 833 1HD1 LEU 109 HD11 LEU 109 13.498 -8.059 -4.256 834 2HD1 LEU 109 HD12 LEU 109 12.863 -9.676 -3.952 835 3HD1 LEU 109 HD13 LEU 109 12.235 -8.298 -3.053 836 1HD2 LEU 109 HD21 LEU 109 9.757 -9.411 -4.419 837 2HD2 LEU 109 HD22 LEU 109 11.074 -10.500 -4.853 838 3HD2 LEU 109 HD23 LEU 109 10.154 -9.688 -6.115 839 H ARG 110 HN ARG 110 9.653 -4.668 -7.405 840 HA ARG 110 HA ARG 110 8.016 -3.202 -5.366 841 1HB ARG 110 HB2 ARG 110 10.039 -2.025 -6.302 842 2HB ARG 110 HB1 ARG 110 9.316 -2.142 -7.905 843 1HG ARG 110 HG2 ARG 110 7.351 -0.860 -7.106 844 2HG ARG 110 HG1 ARG 110 8.111 -0.707 -5.525 845 1HD ARG 110 HD2 ARG 110 9.261 0.324 -8.134 846 2HD ARG 110 HD1 ARG 110 8.492 1.313 -6.894 847 HE ARG 110 HE ARG 110 10.512 -0.006 -5.530 848 1HH1 ARG 110 HH21 ARG 110 10.255 1.922 -8.378 849 2HH1 ARG 110 HH22 ARG 110 11.851 2.581 -8.236 850 1HH2 ARG 110 HH11 ARG 110 12.598 0.845 -5.329 851 2HH2 ARG 110 HH12 ARG 110 13.176 1.972 -6.511 852 H ARG 111 HN ARG 111 7.918 -4.436 -8.680 853 HA ARG 111 HA ARG 111 5.166 -3.380 -9.005 854 1HB ARG 111 HB2 ARG 111 5.212 -4.659 -11.174 855 2HB ARG 111 HB1 ARG 111 6.492 -3.460 -11.044 856 1HG ARG 111 HG2 ARG 111 7.837 -5.204 -11.706 857 2HG ARG 111 HG1 ARG 111 7.789 -5.627 -10.003 858 1HD ARG 111 HD2 ARG 111 7.235 -7.638 -11.116 859 2HD ARG 111 HD1 ARG 111 5.676 -6.999 -10.596 860 HE ARG 111 HE ARG 111 6.006 -5.935 -13.131 861 1HH1 ARG 111 HH21 ARG 111 6.129 -9.070 -11.701 862 2HH1 ARG 111 HH22 ARG 111 5.575 -9.886 -13.125 863 1HH2 ARG 111 HH11 ARG 111 5.284 -6.982 -14.997 864 2HH2 ARG 111 HH12 ARG 111 5.096 -8.704 -14.991 865 H GLU 112 HN GLU 112 6.792 -6.307 -8.019 866 HA GLU 112 HA GLU 112 4.335 -7.901 -8.083 867 1HB GLU 112 HB2 GLU 112 6.368 -9.161 -8.226 868 2HB GLU 112 HB1 GLU 112 7.074 -8.321 -6.848 869 1HG GLU 112 HG2 GLU 112 4.521 -9.892 -6.475 870 2HG GLU 112 HG1 GLU 112 6.067 -10.743 -6.524 871 H TYR 113 HN TYR 113 6.336 -6.364 -5.565 872 HA TYR 113 HA TYR 113 4.652 -6.896 -3.343 873 1HB TYR 113 HB2 TYR 113 6.872 -5.948 -3.019 874 2HB TYR 113 HB1 TYR 113 6.411 -4.487 -3.896 875 HD1 TYR 113 HD1 TYR 113 6.108 -6.352 -0.748 876 HD2 TYR 113 HD2 TYR 113 4.863 -2.855 -2.908 877 HE1 TYR 113 HE1 TYR 113 5.268 -5.350 1.359 878 HE2 TYR 113 HE2 TYR 113 4.021 -1.853 -0.802 879 HH TYR 113 HH TYR 113 4.606 -2.160 1.738 880 H GLN 114 HN GLN 114 4.193 -4.796 -6.059 881 HA GLN 114 HA GLN 114 2.187 -3.125 -4.721 882 1HB GLN 114 HB2 GLN 114 3.701 -2.429 -6.702 883 2HB GLN 114 HB1 GLN 114 2.608 -3.381 -7.706 884 1HG GLN 114 HG2 GLN 114 0.697 -2.040 -6.771 885 2HG GLN 114 HG1 GLN 114 1.883 -1.020 -5.955 886 1HE2 GLN 114 HE21 GLN 114 3.023 0.539 -7.222 887 2HE2 GLN 114 HE22 GLN 114 2.740 0.771 -8.880 888 H GLN 115 HN GLN 115 2.297 -5.786 -7.075 889 HA GLN 115 HA GLN 115 -0.487 -6.000 -7.573 890 1HB GLN 115 HB2 GLN 115 1.709 -8.086 -7.501 891 2HB GLN 115 HB1 GLN 115 0.055 -8.466 -7.980 892 1HG GLN 115 HG2 GLN 115 0.159 -6.847 -9.796 893 2HG GLN 115 HG1 GLN 115 1.760 -6.320 -9.276 894 1HE2 GLN 115 HE21 GLN 115 0.465 -8.041 -11.693 895 2HE2 GLN 115 HE22 GLN 115 1.639 -9.250 -11.898 896 H LEU 116 HN LEU 116 1.516 -7.210 -4.905 897 HA LEU 116 HA LEU 116 -0.735 -8.627 -3.688 898 1HB LEU 116 HB2 LEU 116 1.906 -7.891 -2.399 899 2HB LEU 116 HB1 LEU 116 0.803 -9.182 -1.925 900 HG LEU 116 HG LEU 116 2.423 -9.028 -4.483 901 1HD1 LEU 116 HD11 LEU 116 3.582 -10.952 -3.609 902 2HD1 LEU 116 HD12 LEU 116 2.449 -11.091 -2.265 903 3HD1 LEU 116 HD13 LEU 116 3.568 -9.730 -2.337 904 1HD2 LEU 116 HD21 LEU 116 0.393 -10.041 -5.154 905 2HD2 LEU 116 HD22 LEU 116 0.186 -10.863 -3.607 906 3HD2 LEU 116 HD23 LEU 116 1.418 -11.414 -4.743 907 H TRP 117 HN TRP 117 0.489 -5.444 -3.827 908 HA TRP 117 HA TRP 117 -0.416 -4.542 -1.218 909 1HB TRP 117 HB2 TRP 117 1.350 -3.355 -2.545 910 2HB TRP 117 HB1 TRP 117 0.108 -2.894 -3.708 911 HD1 TRP 117 HD1 TRP 117 -1.406 -0.894 -3.150 912 HE1 TRP 117 HE1 TRP 117 -1.607 0.716 -1.147 913 HE3 TRP 117 HE3 TRP 117 1.646 -3.257 0.190 914 HZ2 TRP 117 HZ2 TRP 117 -0.607 0.968 1.521 915 HZ3 TRP 117 HZ3 TRP 117 2.005 -2.311 2.454 916 HH2 TRP 117 HH2 TRP 117 0.883 -0.205 3.122 917 H LEU 118 HN LEU 118 -1.768 -4.242 -4.571 918 HA LEU 118 HA LEU 118 -4.178 -2.945 -3.666 919 1HB LEU 118 HB2 LEU 118 -3.525 -4.542 -6.158 920 2HB LEU 118 HB1 LEU 118 -5.095 -3.801 -5.883 921 HG LEU 118 HG LEU 118 -3.826 -2.302 -7.269 922 1HD1 LEU 118 HD11 LEU 118 -4.059 -0.310 -6.096 923 2HD1 LEU 118 HD12 LEU 118 -3.442 -0.981 -4.594 924 3HD1 LEU 118 HD13 LEU 118 -5.071 -1.386 -5.141 925 1HD2 LEU 118 HD21 LEU 118 -1.590 -3.296 -6.586 926 2HD2 LEU 118 HD22 LEU 118 -1.638 -2.229 -5.183 927 3HD2 LEU 118 HD23 LEU 118 -1.605 -1.546 -6.811 928 H ALA 119 HN ALA 119 -3.222 -6.369 -3.871 929 HA ALA 119 HA ALA 119 -5.885 -7.413 -3.400 930 1HB ALA 119 HB1 ALA 119 -3.818 -8.833 -3.861 931 2HB ALA 119 HB2 ALA 119 -4.767 -9.370 -2.475 932 3HB ALA 119 HB3 ALA 119 -3.279 -8.458 -2.224 933 H ALA 120 HN ALA 120 -3.483 -7.309 -0.731 934 HA ALA 120 HA ALA 120 -5.300 -7.175 1.338 935 1HB ALA 120 HB1 ALA 120 -2.852 -7.256 1.660 936 2HB ALA 120 HB2 ALA 120 -3.599 -5.999 2.651 937 3HB ALA 120 HB3 ALA 120 -2.738 -5.564 1.175 938 H PHE 121 HN PHE 121 -5.193 -4.807 -1.117 939 HA PHE 121 HA PHE 121 -6.444 -2.764 0.704 940 1HB PHE 121 HB2 PHE 121 -4.342 -2.311 -0.944 941 2HB PHE 121 HB1 PHE 121 -5.641 -2.062 -2.104 942 HD1 PHE 121 HD1 PHE 121 -7.588 -0.473 -1.350 943 HD2 PHE 121 HD2 PHE 121 -3.703 -0.557 0.479 944 HE1 PHE 121 HE1 PHE 121 -7.976 1.791 -0.424 945 HE2 PHE 121 HE2 PHE 121 -4.091 1.709 1.406 946 HZ PHE 121 HZ PHE 121 -6.228 2.883 0.954 947 H ALA 122 HN ALA 122 -6.974 -4.888 -1.993 948 HA ALA 122 HA ALA 122 -9.679 -3.666 -2.480 949 1HB ALA 122 HB1 ALA 122 -7.775 -4.421 -4.298 950 2HB ALA 122 HB2 ALA 122 -9.501 -4.402 -4.666 951 3HB ALA 122 HB3 ALA 122 -8.710 -5.907 -4.193 952 H ALA 123 HN ALA 123 -8.129 -6.517 -1.217 953 HA ALA 123 HA ALA 123 -10.773 -7.891 -1.088 954 1HB ALA 123 HB1 ALA 123 -9.500 -9.739 -0.082 955 2HB ALA 123 HB2 ALA 123 -8.052 -8.734 -0.018 956 3HB ALA 123 HB3 ALA 123 -8.710 -9.232 -1.576 957 H LEU 124 HN LEU 124 -9.579 -5.349 0.353 958 HA LEU 124 HA LEU 124 -9.302 -5.907 2.996 959 1HB LEU 124 HB2 LEU 124 -9.897 -3.542 1.427 960 2HB LEU 124 HB1 LEU 124 -10.691 -3.419 2.996 961 HG LEU 124 HG LEU 124 -7.775 -4.156 2.698 962 1HD1 LEU 124 HD11 LEU 124 -8.346 -1.871 1.715 963 2HD1 LEU 124 HD12 LEU 124 -7.143 -1.880 3.002 964 3HD1 LEU 124 HD13 LEU 124 -8.803 -1.397 3.351 965 1HD2 LEU 124 HD21 LEU 124 -7.908 -3.003 5.096 966 2HD2 LEU 124 HD22 LEU 124 -8.252 -4.707 4.857 967 3HD2 LEU 124 HD23 LEU 124 -9.575 -3.550 4.989 968 HA PRO 125 HA PRO 125 -14.101 -5.068 3.667 969 1HB PRO 125 HB2 PRO 125 -15.551 -5.700 1.309 970 2HB PRO 125 HB1 PRO 125 -15.317 -4.088 2.016 971 1HG PRO 125 HG2 PRO 125 -13.958 -5.301 -0.328 972 2HG PRO 125 HG1 PRO 125 -14.152 -3.596 0.094 973 1HD PRO 125 HD2 PRO 125 -11.780 -4.990 0.330 974 2HD PRO 125 HD1 PRO 125 -12.168 -3.521 1.241 975 H GLY 126 HN GLY 126 -13.754 -7.527 1.085 976 1HA GLY 126 HA2 GLY 126 -14.871 -9.496 3.009 977 2HA GLY 126 HA1 GLY 126 -14.505 -9.822 1.302 978 H SER 127 HN SER 127 -12.881 -8.654 4.184 979 HA SER 127 HA SER 127 -11.439 -10.580 5.220 980 1HB SER 127 HB2 SER 127 -10.224 -10.028 2.542 981 2HB SER 127 HB1 SER 127 -9.126 -10.349 3.872 982 HG SER 127 HG SER 127 -10.701 -12.043 2.482 983 H ALA 128 HN ALA 128 -10.746 -9.491 6.972 984 HA ALA 128 HA ALA 128 -9.987 -7.730 8.335 985 1HB ALA 128 HB1 ALA 128 -8.189 -7.406 5.902 986 2HB ALA 128 HB2 ALA 128 -7.873 -8.406 7.321 987 3HB ALA 128 HB3 ALA 128 -7.906 -6.653 7.468 988 H LYS 129 HN LYS 129 -11.767 -6.220 8.431 989 HA LYS 129 HA LYS 129 -11.331 -3.603 7.537 990 1HB LYS 129 HB2 LYS 129 -11.929 -4.806 5.273 991 2HB LYS 129 HB1 LYS 129 -13.563 -4.676 5.832 992 1HG LYS 129 HG2 LYS 129 -12.828 -2.129 6.238 993 2HG LYS 129 HG1 LYS 129 -11.637 -2.526 5.023 994 1HD LYS 129 HD2 LYS 129 -13.298 -3.042 3.402 995 2HD LYS 129 HD1 LYS 129 -14.587 -3.004 4.613 996 1HE LYS 129 HE2 LYS 129 -12.848 -0.626 3.907 997 2HE LYS 129 HE1 LYS 129 -14.431 -0.926 3.197 998 1HZ LYS 129 HZ1 LYS 129 -14.961 0.417 4.958 999 2HZ LYS 129 HZ2 LYS 129 -13.736 -0.205 5.957 1000 3HZ LYS 129 HZ3 LYS 129 -15.145 -1.111 5.672 1001 H ASP 130 HN ASP 130 -14.003 -2.990 6.914 1002 HA ASP 130 HA ASP 130 -16.065 -3.868 8.617 1003 1HB ASP 130 HB2 ASP 130 -14.782 -3.178 10.537 1004 2HB ASP 130 HB1 ASP 130 -14.342 -1.653 9.772 1005 HA PRO 131 HA PRO 131 -16.873 -0.531 5.464 1006 1HB PRO 131 HB2 PRO 131 -18.200 -2.099 3.642 1007 2HB PRO 131 HB1 PRO 131 -16.436 -1.960 3.690 1008 1HG PRO 131 HG2 PRO 131 -18.145 -4.250 4.529 1009 2HG PRO 131 HG1 PRO 131 -16.452 -4.253 4.020 1010 1HD PRO 131 HD2 PRO 131 -17.444 -4.349 6.718 1011 2HD PRO 131 HD1 PRO 131 -15.754 -4.218 6.212 1012 H SER 132 HN SER 132 -18.996 -3.271 6.114 1013 HA SER 132 HA SER 132 -21.161 -1.977 7.457 1014 1HB SER 132 HB2 SER 132 -22.767 -2.097 5.459 1015 2HB SER 132 HB1 SER 132 -21.656 -0.732 5.485 1016 HG SER 132 HG SER 132 -21.023 -1.444 3.618 1017 H TRP 133 HN TRP 133 -19.581 -4.435 7.404 1018 HA TRP 133 HA TRP 133 -19.882 -6.757 7.526 1019 1HB TRP 133 HB2 TRP 133 -22.812 -6.070 7.880 1020 2HB TRP 133 HB1 TRP 133 -21.957 -7.481 8.501 1021 HD1 TRP 133 HD1 TRP 133 -22.616 -3.827 9.196 1022 HE1 TRP 133 HE1 TRP 133 -21.612 -3.198 11.485 1023 HE3 TRP 133 HE3 TRP 133 -19.965 -8.076 10.193 1024 HZ2 TRP 133 HZ2 TRP 133 -19.909 -4.346 13.477 1025 HZ3 TRP 133 HZ3 TRP 133 -18.663 -8.281 12.292 1026 HH2 TRP 133 HH2 TRP 133 -18.631 -6.424 13.933 1027 H ALA 134 HN ALA 134 -20.063 -5.488 4.900 1028 HA ALA 134 HA ALA 134 -21.669 -7.594 3.494 1029 1HB ALA 134 HB1 ALA 134 -22.830 -5.361 3.439 1030 2HB ALA 134 HB2 ALA 134 -22.391 -5.971 1.844 1031 3HB ALA 134 HB3 ALA 134 -21.423 -4.706 2.602 Start of MODEL 12 1 HT1 PRO 1 HT2 PRO 1 7.426 9.918 -0.154 2 HT2 PRO 1 HT1 PRO 1 8.058 11.156 0.829 3 HA PRO 1 HA PRO 1 8.058 8.304 1.233 4 1HB PRO 1 HB2 PRO 1 10.519 9.447 2.369 5 2HB PRO 1 HB1 PRO 1 10.301 7.944 1.459 6 1HG PRO 1 HG2 PRO 1 11.374 10.425 0.492 7 2HG PRO 1 HG1 PRO 1 11.092 8.940 -0.430 8 1HD PRO 1 HD2 PRO 1 9.664 11.379 -0.695 9 2HD PRO 1 HD1 PRO 1 9.244 9.830 -1.430 10 H VAL 2 HN VAL 2 8.612 8.048 3.695 11 HA VAL 2 HA VAL 2 7.807 10.395 5.284 12 HB VAL 2 HB VAL 2 5.796 8.762 4.524 13 1HG1 VAL 2 HG11 VAL 2 5.249 7.105 6.185 14 2HG1 VAL 2 HG12 VAL 2 6.645 7.549 7.165 15 3HG1 VAL 2 HG13 VAL 2 6.876 6.760 5.607 16 1HG2 VAL 2 HG21 VAL 2 6.216 10.140 7.177 17 2HG2 VAL 2 HG22 VAL 2 4.670 9.411 6.743 18 3HG2 VAL 2 HG23 VAL 2 5.331 10.724 5.768 19 H MET 3 HN MET 3 9.534 10.527 6.623 20 HA MET 3 HA MET 3 10.971 8.073 7.397 21 1HB MET 3 HB2 MET 3 11.429 10.952 8.133 22 2HB MET 3 HB1 MET 3 12.558 9.618 8.319 23 1HG MET 3 HG2 MET 3 12.052 9.276 5.698 24 2HG MET 3 HG1 MET 3 11.668 10.988 5.804 25 1HE MET 3 HE1 MET 3 13.326 10.239 3.941 26 2HE MET 3 HE2 MET 3 15.061 10.023 4.153 27 3HE MET 3 HE3 MET 3 14.383 11.647 4.112 28 H HIS 4 HN HIS 4 10.692 7.025 9.303 29 HA HIS 4 HA HIS 4 8.904 8.265 11.351 30 1HB HIS 4 HB2 HIS 4 9.045 5.415 11.719 31 2HB HIS 4 HB1 HIS 4 7.664 6.361 11.170 32 HD1 HIS 4 HD1 HIS 4 10.864 4.902 9.674 33 HD2 HIS 4 HD2 HIS 4 6.920 5.716 8.601 34 HE1 HIS 4 HE1 HIS 4 10.564 4.015 7.321 35 HA PRO 5 HA PRO 5 11.788 8.014 14.675 36 1HB PRO 5 HB2 PRO 5 10.264 6.276 16.429 37 2HB PRO 5 HB1 PRO 5 10.467 8.025 16.505 38 1HG PRO 5 HG2 PRO 5 8.122 6.553 15.687 39 2HG PRO 5 HG1 PRO 5 8.323 8.308 15.785 40 1HD PRO 5 HD2 PRO 5 8.157 6.701 13.412 41 2HD PRO 5 HD1 PRO 5 8.411 8.450 13.516 42 H HIS 6 HN HIS 6 12.763 6.255 12.810 43 HA HIS 6 HA HIS 6 13.902 4.109 14.381 44 1HB HIS 6 HB2 HIS 6 11.696 3.093 14.032 45 2HB HIS 6 HB1 HIS 6 11.838 3.343 12.293 46 HD1 HIS 6 HD1 HIS 6 15.042 2.428 13.760 47 HD2 HIS 6 HD2 HIS 6 11.730 0.352 12.311 48 HE1 HIS 6 HE1 HIS 6 15.804 0.044 13.372 49 H GLY 7 HN GLY 7 13.089 3.560 11.018 50 1HA GLY 7 HA2 GLY 7 15.654 3.068 10.090 51 2HA GLY 7 HA1 GLY 7 14.396 3.760 9.062 52 H ALA 8 HN ALA 8 14.033 6.216 9.532 53 HA ALA 8 HA ALA 8 16.708 7.540 9.881 54 1HB ALA 8 HB1 ALA 8 16.397 8.674 7.898 55 2HB ALA 8 HB2 ALA 8 14.685 8.916 8.207 56 3HB ALA 8 HB3 ALA 8 15.245 7.392 7.550 57 HA PRO 9 HA PRO 9 14.707 10.244 12.727 58 1HB PRO 9 HB2 PRO 9 15.233 12.834 11.627 59 2HB PRO 9 HB1 PRO 9 16.268 11.937 12.752 60 1HG PRO 9 HG2 PRO 9 16.818 12.527 9.997 61 2HG PRO 9 HG1 PRO 9 17.785 11.515 11.084 62 1HD PRO 9 HD2 PRO 9 15.886 10.694 8.968 63 2HD PRO 9 HD1 PRO 9 17.182 9.750 9.743 64 HA PRO 10 HA PRO 10 10.686 11.662 11.533 65 1HB PRO 10 HB2 PRO 10 10.945 14.341 12.658 66 2HB PRO 10 HB1 PRO 10 9.948 12.991 13.215 67 1HG PRO 10 HG2 PRO 10 12.329 13.961 14.447 68 2HG PRO 10 HG1 PRO 10 11.444 12.487 14.870 69 1HD PRO 10 HD2 PRO 10 14.020 12.700 13.548 70 2HD PRO 10 HD1 PRO 10 13.162 11.233 14.055 71 H ASN 11 HN ASN 11 10.469 12.125 9.293 72 HA ASN 11 HA ASN 11 10.976 14.870 8.438 73 1HB ASN 11 HB2 ASN 11 12.696 12.672 7.270 74 2HB ASN 11 HB1 ASN 11 12.548 14.284 6.590 75 1HD2 ASN 11 HD21 ASN 11 13.104 16.120 8.239 76 2HD2 ASN 11 HD22 ASN 11 14.404 15.820 9.288 77 H HIS 12 HN HIS 12 8.534 14.343 8.042 78 HA HIS 12 HA HIS 12 8.071 12.603 5.731 79 1HB HIS 12 HB2 HIS 12 5.701 13.421 6.025 80 2HB HIS 12 HB1 HIS 12 6.369 12.639 7.459 81 HD1 HIS 12 HD1 HIS 12 5.274 15.963 6.136 82 HD2 HIS 12 HD2 HIS 12 6.962 14.425 9.624 83 HE1 HIS 12 HE1 HIS 12 5.111 17.794 7.879 84 H ARG 13 HN ARG 13 7.556 13.356 3.651 85 HA ARG 13 HA ARG 13 8.076 16.283 3.179 86 1HB ARG 13 HB2 ARG 13 8.585 15.457 0.807 87 2HB ARG 13 HB1 ARG 13 9.761 15.097 2.066 88 1HG ARG 13 HG2 ARG 13 7.621 13.045 1.734 89 2HG ARG 13 HG1 ARG 13 8.710 13.210 0.361 90 1HD ARG 13 HD2 ARG 13 9.500 12.651 3.237 91 2HD ARG 13 HD1 ARG 13 9.628 11.546 1.870 92 HE ARG 13 HE ARG 13 11.161 13.654 1.042 93 1HH1 ARG 13 HH21 ARG 13 10.936 11.786 3.923 94 2HH1 ARG 13 HH22 ARG 13 12.617 11.928 4.308 95 1HH2 ARG 13 HH11 ARG 13 13.365 13.846 1.519 96 2HH2 ARG 13 HH12 ARG 13 13.997 13.088 2.942 97 HA PRO 14 HA PRO 14 3.587 15.741 2.179 98 1HB PRO 14 HB2 PRO 14 3.561 18.676 2.071 99 2HB PRO 14 HB1 PRO 14 2.647 17.592 3.112 100 1HG PRO 14 HG2 PRO 14 4.795 19.211 3.930 101 2HG PRO 14 HG1 PRO 14 4.141 17.838 4.837 102 1HD PRO 14 HD2 PRO 14 6.672 18.028 3.345 103 2HD PRO 14 HD1 PRO 14 6.175 16.812 4.542 104 H TRP 15 HN TRP 15 3.756 18.680 0.517 105 HA TRP 15 HA TRP 15 3.655 19.108 -1.789 106 1HB TRP 15 HB2 TRP 15 6.104 17.319 -1.725 107 2HB TRP 15 HB1 TRP 15 5.705 18.498 -2.974 108 HD1 TRP 15 HD1 TRP 15 6.952 18.219 0.611 109 HE1 TRP 15 HE1 TRP 15 7.869 20.510 1.359 110 HE3 TRP 15 HE3 TRP 15 5.506 21.089 -3.359 111 HZ2 TRP 15 HZ2 TRP 15 7.974 23.203 0.401 112 HZ3 TRP 15 HZ3 TRP 15 6.028 23.511 -3.415 113 HH2 TRP 15 HH2 TRP 15 7.259 24.571 -1.542 114 H GLN 16 HN GLN 16 1.946 16.965 -1.036 115 HA GLN 16 HA GLN 16 1.918 15.473 -3.597 116 1HB GLN 16 HB2 GLN 16 1.562 13.320 -2.449 117 2HB GLN 16 HB1 GLN 16 3.157 13.986 -2.100 118 1HG GLN 16 HG2 GLN 16 2.180 14.980 0.008 119 2HG GLN 16 HG1 GLN 16 0.711 14.061 -0.318 120 1HE2 GLN 16 HE21 GLN 16 3.289 12.262 -1.504 121 2HE2 GLN 16 HE22 GLN 16 3.555 11.263 -0.158 122 H MET 17 HN MET 17 0.334 17.127 -1.148 123 HA MET 17 HA MET 17 -2.172 15.985 -0.760 124 1HB MET 17 HB2 MET 17 -1.652 18.877 -1.519 125 2HB MET 17 HB1 MET 17 -3.078 18.264 -0.679 126 1HG MET 17 HG2 MET 17 -1.723 17.564 1.216 127 2HG MET 17 HG1 MET 17 -0.244 18.010 0.366 128 1HE MET 17 HE1 MET 17 0.767 19.909 2.047 129 2HE MET 17 HE2 MET 17 -0.322 18.847 2.935 130 3HE MET 17 HE3 MET 17 -0.406 20.589 3.183 131 H LYS 18 HN LYS 18 -0.812 17.201 -3.704 132 HA LYS 18 HA LYS 18 -3.334 17.285 -5.171 133 1HB LYS 18 HB2 LYS 18 -1.716 17.289 -7.196 134 2HB LYS 18 HB1 LYS 18 -1.644 18.660 -6.090 135 1HG LYS 18 HG2 LYS 18 0.314 17.822 -5.016 136 2HG LYS 18 HG1 LYS 18 0.137 16.238 -5.772 137 1HD LYS 18 HD2 LYS 18 1.887 17.492 -6.926 138 2HD LYS 18 HD1 LYS 18 0.502 17.295 -8.000 139 1HE LYS 18 HE2 LYS 18 -0.194 19.539 -7.703 140 2HE LYS 18 HE1 LYS 18 0.808 19.750 -6.267 141 1HZ LYS 18 HZ1 LYS 18 2.250 20.659 -7.688 142 2HZ LYS 18 HZ2 LYS 18 1.510 19.972 -9.054 143 3HZ LYS 18 HZ3 LYS 18 2.616 19.065 -8.137 144 H ASP 19 HN ASP 19 -0.767 14.931 -4.680 145 HA ASP 19 HA ASP 19 -1.441 13.031 -6.645 146 1HB ASP 19 HB2 ASP 19 0.579 12.895 -5.300 147 2HB ASP 19 HB1 ASP 19 -0.377 12.600 -3.848 148 H LEU 20 HN LEU 20 -2.052 12.315 -3.237 149 HA LEU 20 HA LEU 20 -4.066 10.441 -3.645 150 1HB LEU 20 HB2 LEU 20 -4.690 10.779 -1.285 151 2HB LEU 20 HB1 LEU 20 -2.946 10.701 -1.506 152 HG LEU 20 HG LEU 20 -3.352 13.414 -1.778 153 1HD1 LEU 20 HD11 LEU 20 -4.867 14.087 0.090 154 2HD1 LEU 20 HD12 LEU 20 -5.384 12.409 0.242 155 3HD1 LEU 20 HD13 LEU 20 -5.733 13.309 -1.232 156 1HD2 LEU 20 HD21 LEU 20 -2.608 13.581 0.605 157 2HD2 LEU 20 HD22 LEU 20 -1.665 12.419 -0.327 158 3HD2 LEU 20 HD23 LEU 20 -2.909 11.853 0.788 159 H GLN 21 HN GLN 21 -4.414 13.961 -3.441 160 HA GLN 21 HA GLN 21 -7.178 14.169 -3.027 161 1HB GLN 21 HB2 GLN 21 -5.182 15.807 -4.550 162 2HB GLN 21 HB1 GLN 21 -6.886 16.166 -4.814 163 1HG GLN 21 HG2 GLN 21 -5.766 15.925 -2.018 164 2HG GLN 21 HG1 GLN 21 -5.670 17.443 -2.912 165 1HE2 GLN 21 HE21 GLN 21 -7.975 17.980 -4.021 166 2HE2 GLN 21 HE22 GLN 21 -9.307 17.805 -2.983 167 H ALA 22 HN ALA 22 -5.591 13.913 -6.247 168 HA ALA 22 HA ALA 22 -8.002 13.652 -7.696 169 1HB ALA 22 HB1 ALA 22 -6.051 13.979 -9.010 170 2HB ALA 22 HB2 ALA 22 -6.499 12.307 -9.349 171 3HB ALA 22 HB3 ALA 22 -5.192 12.659 -8.216 172 H ILE 23 HN ILE 23 -6.126 11.159 -5.965 173 HA ILE 23 HA ILE 23 -7.736 8.991 -6.959 174 HB ILE 23 HB ILE 23 -6.077 9.318 -4.463 175 1HG1 ILE 23 HG12 ILE 23 -4.618 7.715 -5.545 176 2HG1 ILE 23 HG11 ILE 23 -5.821 7.387 -6.791 177 1HG2 ILE 23 HG21 ILE 23 -7.896 7.047 -5.244 178 2HG2 ILE 23 HG22 ILE 23 -7.776 7.866 -3.688 179 3HG2 ILE 23 HG23 ILE 23 -6.488 6.788 -4.218 180 1HD1 ILE 23 HD11 ILE 23 -3.900 8.968 -7.433 181 2HD1 ILE 23 HD12 ILE 23 -4.669 10.147 -6.373 182 3HD1 ILE 23 HD13 ILE 23 -5.535 9.531 -7.779 183 H LYS 24 HN LYS 24 -7.854 10.530 -3.708 184 HA LYS 24 HA LYS 24 -10.280 9.704 -2.702 185 1HB LYS 24 HB2 LYS 24 -8.600 11.539 -1.877 186 2HB LYS 24 HB1 LYS 24 -9.655 12.647 -2.751 187 1HG LYS 24 HG2 LYS 24 -11.584 11.882 -1.441 188 2HG LYS 24 HG1 LYS 24 -10.570 10.704 -0.606 189 1HD LYS 24 HD2 LYS 24 -9.148 12.596 0.221 190 2HD LYS 24 HD1 LYS 24 -10.304 13.721 -0.494 191 1HE LYS 24 HE2 LYS 24 -10.704 13.298 1.948 192 2HE LYS 24 HE1 LYS 24 -12.083 12.889 0.929 193 1HZ LYS 24 HZ1 LYS 24 -11.403 11.202 2.666 194 2HZ LYS 24 HZ2 LYS 24 -10.047 10.884 1.693 195 3HZ LYS 24 HZ3 LYS 24 -11.613 10.619 1.088 196 H GLN 25 HN GLN 25 -10.008 12.307 -5.163 197 HA GLN 25 HA GLN 25 -12.599 13.079 -5.315 198 1HB GLN 25 HB2 GLN 25 -10.715 12.485 -7.588 199 2HB GLN 25 HB1 GLN 25 -12.287 13.231 -7.850 200 1HG GLN 25 HG2 GLN 25 -10.288 14.326 -5.862 201 2HG GLN 25 HG1 GLN 25 -10.332 14.846 -7.547 202 1HE2 GLN 25 HE21 GLN 25 -10.887 16.735 -5.520 203 2HE2 GLN 25 HE22 GLN 25 -12.534 17.140 -5.568 204 H GLU 26 HN GLU 26 -11.136 10.210 -6.796 205 HA GLU 26 HA GLU 26 -13.732 9.167 -7.743 206 1HB GLU 26 HB2 GLU 26 -10.999 8.936 -8.570 207 2HB GLU 26 HB1 GLU 26 -11.591 7.310 -8.249 208 1HG GLU 26 HG2 GLU 26 -13.544 7.759 -9.726 209 2HG GLU 26 HG1 GLU 26 -12.882 9.355 -10.083 210 H VAL 27 HN VAL 27 -11.704 8.609 -4.897 211 HA VAL 27 HA VAL 27 -12.432 5.871 -4.580 212 HB VAL 27 HB VAL 27 -11.802 5.951 -2.331 213 1HG1 VAL 27 HG11 VAL 27 -10.215 7.844 -4.055 214 2HG1 VAL 27 HG12 VAL 27 -9.857 6.182 -3.611 215 3HG1 VAL 27 HG13 VAL 27 -9.701 7.465 -2.414 216 1HG2 VAL 27 HG21 VAL 27 -13.033 7.682 -1.320 217 2HG2 VAL 27 HG22 VAL 27 -12.470 8.889 -2.464 218 3HG2 VAL 27 HG23 VAL 27 -11.379 8.280 -1.225 219 H SER 28 HN SER 28 -13.720 8.974 -4.063 220 HA SER 28 HA SER 28 -16.068 8.524 -2.489 221 1HB SER 28 HB2 SER 28 -15.650 10.554 -4.721 222 2HB SER 28 HB1 SER 28 -16.955 10.603 -3.540 223 HG SER 28 HG SER 28 -15.329 10.742 -1.914 224 H GLN 29 HN GLN 29 -16.059 9.275 -5.961 225 HA GLN 29 HA GLN 29 -18.078 8.471 -7.322 226 1HB GLN 29 HB2 GLN 29 -15.748 8.267 -8.195 227 2HB GLN 29 HB1 GLN 29 -15.755 6.591 -7.655 228 1HG GLN 29 HG2 GLN 29 -16.442 6.549 -9.944 229 2HG GLN 29 HG1 GLN 29 -17.914 6.322 -9.002 230 1HE2 GLN 29 HE21 GLN 29 -19.539 7.457 -10.092 231 2HE2 GLN 29 HE22 GLN 29 -19.390 9.050 -10.660 232 H ALA 30 HN ALA 30 -16.283 5.849 -5.659 233 HA ALA 30 HA ALA 30 -18.527 3.937 -5.998 234 1HB ALA 30 HB1 ALA 30 -16.094 3.293 -6.160 235 2HB ALA 30 HB2 ALA 30 -17.054 2.303 -5.056 236 3HB ALA 30 HB3 ALA 30 -15.976 3.544 -4.419 237 H ALA 31 HN ALA 31 -18.217 2.460 -3.686 238 HA ALA 31 HA ALA 31 -19.838 4.008 -1.783 239 1HB ALA 31 HB1 ALA 31 -20.622 1.924 -1.198 240 2HB ALA 31 HB2 ALA 31 -18.990 1.268 -1.025 241 3HB ALA 31 HB3 ALA 31 -19.745 1.352 -2.611 242 HA PRO 32 HA PRO 32 -16.643 4.843 1.139 243 1HB PRO 32 HB2 PRO 32 -17.406 3.216 3.417 244 2HB PRO 32 HB1 PRO 32 -17.711 4.938 3.164 245 1HG PRO 32 HG2 PRO 32 -19.641 2.808 3.083 246 2HG PRO 32 HG1 PRO 32 -19.922 4.522 2.734 247 1HD PRO 32 HD2 PRO 32 -19.763 2.293 0.868 248 2HD PRO 32 HD1 PRO 32 -20.235 3.968 0.525 249 H GLY 33 HN GLY 33 -15.931 2.869 -0.660 250 1HA GLY 33 HA2 GLY 33 -13.581 1.796 -0.120 251 2HA GLY 33 HA1 GLY 33 -14.562 0.720 0.875 252 H SER 34 HN SER 34 -15.463 -0.989 -0.092 253 HA SER 34 HA SER 34 -16.129 -2.482 -1.736 254 1HB SER 34 HB2 SER 34 -17.697 -1.506 -2.999 255 2HB SER 34 HB1 SER 34 -17.113 0.049 -2.433 256 HG SER 34 HG SER 34 -15.549 -0.084 -4.181 257 HA PRO 35 HA PRO 35 -12.524 -3.396 -4.339 258 1HB PRO 35 HB2 PRO 35 -13.991 -3.729 -6.825 259 2HB PRO 35 HB1 PRO 35 -13.287 -4.982 -5.791 260 1HG PRO 35 HG2 PRO 35 -16.079 -4.384 -6.122 261 2HG PRO 35 HG1 PRO 35 -15.363 -5.563 -5.013 262 1HD PRO 35 HD2 PRO 35 -16.593 -3.029 -4.346 263 2HD PRO 35 HD1 PRO 35 -15.890 -4.220 -3.235 264 H GLN 36 HN GLN 36 -14.922 -1.370 -6.019 265 HA GLN 36 HA GLN 36 -13.414 -0.117 -7.931 266 1HB GLN 36 HB2 GLN 36 -15.382 1.109 -6.018 267 2HB GLN 36 HB1 GLN 36 -14.790 1.927 -7.468 268 1HG GLN 36 HG2 GLN 36 -15.648 0.086 -8.863 269 2HG GLN 36 HG1 GLN 36 -16.230 -0.743 -7.419 270 1HE2 GLN 36 HE21 GLN 36 -16.943 1.795 -9.707 271 2HE2 GLN 36 HE22 GLN 36 -18.411 2.286 -9.010 272 H PHE 37 HN PHE 37 -13.196 0.598 -4.429 273 HA PHE 37 HA PHE 37 -11.914 2.974 -4.393 274 1HB PHE 37 HB2 PHE 37 -12.091 0.704 -2.668 275 2HB PHE 37 HB1 PHE 37 -10.443 1.304 -2.565 276 HD1 PHE 37 HD1 PHE 37 -10.204 2.639 -0.655 277 HD2 PHE 37 HD2 PHE 37 -13.788 2.988 -3.007 278 HE1 PHE 37 HE1 PHE 37 -10.996 4.470 0.817 279 HE2 PHE 37 HE2 PHE 37 -14.573 4.819 -1.533 280 HZ PHE 37 HZ PHE 37 -13.179 5.560 0.378 281 H MET 38 HN MET 38 -10.548 -0.223 -4.691 282 HA MET 38 HA MET 38 -7.782 0.237 -5.168 283 1HB MET 38 HB2 MET 38 -8.412 -2.008 -4.724 284 2HB MET 38 HB1 MET 38 -9.623 -1.999 -6.002 285 1HG MET 38 HG2 MET 38 -6.746 -1.505 -6.735 286 2HG MET 38 HG1 MET 38 -7.273 -3.151 -6.424 287 1HE MET 38 HE1 MET 38 -8.302 -4.608 -7.940 288 2HE MET 38 HE2 MET 38 -9.485 -4.190 -9.176 289 3HE MET 38 HE3 MET 38 -9.847 -3.877 -7.481 290 H GLN 39 HN GLN 39 -10.484 0.140 -7.458 291 HA GLN 39 HA GLN 39 -9.171 0.141 -9.881 292 1HB GLN 39 HB2 GLN 39 -11.657 0.432 -9.407 293 2HB GLN 39 HB1 GLN 39 -11.326 2.158 -9.235 294 1HG GLN 39 HG2 GLN 39 -10.433 2.260 -11.502 295 2HG GLN 39 HG1 GLN 39 -10.620 0.516 -11.684 296 1HE2 GLN 39 HE21 GLN 39 -13.019 -0.254 -11.242 297 2HE2 GLN 39 HE22 GLN 39 -14.239 0.728 -11.897 298 H THR 40 HN THR 40 -9.714 2.931 -7.759 299 HA THR 40 HA THR 40 -7.926 4.688 -9.350 300 HB THR 40 HB THR 40 -8.897 5.446 -6.618 301 HG1 THR 40 HG1 THR 40 -10.540 4.681 -8.738 302 1HG2 THR 40 HG21 THR 40 -9.352 7.559 -7.676 303 2HG2 THR 40 HG22 THR 40 -9.132 6.862 -9.281 304 3HG2 THR 40 HG23 THR 40 -7.752 7.025 -8.194 305 H ILE 41 HN ILE 41 -7.600 2.919 -6.256 306 HA ILE 41 HA ILE 41 -4.930 4.147 -5.917 307 HB ILE 41 HB ILE 41 -5.957 1.605 -4.636 308 1HG1 ILE 41 HG12 ILE 41 -7.301 3.920 -4.327 309 2HG1 ILE 41 HG11 ILE 41 -7.082 2.790 -2.997 310 1HG2 ILE 41 HG21 ILE 41 -3.617 1.772 -4.371 311 2HG2 ILE 41 HG22 ILE 41 -4.302 2.339 -2.848 312 3HG2 ILE 41 HG23 ILE 41 -3.703 3.500 -4.031 313 1HD1 ILE 41 HD11 ILE 41 -6.524 5.237 -2.491 314 2HD1 ILE 41 HD12 ILE 41 -5.118 5.027 -3.539 315 3HD1 ILE 41 HD13 ILE 41 -5.281 4.056 -2.078 316 H ARG 42 HN ARG 42 -6.290 1.794 -7.880 317 HA ARG 42 HA ARG 42 -4.011 0.048 -8.140 318 1HB ARG 42 HB2 ARG 42 -6.288 -0.579 -8.930 319 2HB ARG 42 HB1 ARG 42 -6.146 0.647 -10.191 320 1HG ARG 42 HG2 ARG 42 -4.207 -0.506 -11.130 321 2HG ARG 42 HG1 ARG 42 -4.233 -1.675 -9.813 322 1HD ARG 42 HD2 ARG 42 -6.401 -2.511 -10.528 323 2HD ARG 42 HD1 ARG 42 -6.507 -1.267 -11.774 324 HE ARG 42 HE ARG 42 -4.157 -2.589 -12.383 325 1HH1 ARG 42 HH21 ARG 42 -7.428 -3.486 -11.767 326 2HH1 ARG 42 HH22 ARG 42 -7.389 -4.861 -12.819 327 1HH2 ARG 42 HH11 ARG 42 -4.086 -4.380 -13.759 328 2HH2 ARG 42 HH12 ARG 42 -5.496 -5.367 -13.947 329 H LEU 43 HN LEU 43 -5.276 2.713 -10.189 330 HA LEU 43 HA LEU 43 -2.865 2.775 -11.807 331 1HB LEU 43 HB2 LEU 43 -5.285 4.555 -11.537 332 2HB LEU 43 HB1 LEU 43 -3.924 5.045 -12.539 333 HG LEU 43 HG LEU 43 -5.743 3.853 -13.795 334 1HD1 LEU 43 HD11 LEU 43 -3.121 3.761 -14.289 335 2HD1 LEU 43 HD12 LEU 43 -4.263 2.811 -15.233 336 3HD1 LEU 43 HD13 LEU 43 -3.349 2.047 -13.937 337 1HD2 LEU 43 HD21 LEU 43 -6.220 2.288 -11.848 338 2HD2 LEU 43 HD22 LEU 43 -4.784 1.389 -12.334 339 3HD2 LEU 43 HD23 LEU 43 -6.152 1.526 -13.436 340 H ALA 44 HN ALA 44 -3.614 4.047 -8.712 341 HA ALA 44 HA ALA 44 -1.646 6.283 -8.995 342 1HB ALA 44 HB1 ALA 44 -2.354 7.007 -6.836 343 2HB ALA 44 HB2 ALA 44 -3.033 5.427 -6.443 344 3HB ALA 44 HB3 ALA 44 -3.834 6.462 -7.626 345 H VAL 45 HN VAL 45 -1.919 3.268 -7.080 346 HA VAL 45 HA VAL 45 0.810 3.629 -6.118 347 HB VAL 45 HB VAL 45 -1.129 1.301 -6.021 348 1HG1 VAL 45 HG11 VAL 45 1.722 1.526 -5.032 349 2HG1 VAL 45 HG12 VAL 45 1.028 0.270 -6.057 350 3HG1 VAL 45 HG13 VAL 45 0.577 0.368 -4.355 351 1HG2 VAL 45 HG21 VAL 45 -1.442 3.414 -4.600 352 2HG2 VAL 45 HG22 VAL 45 0.039 2.946 -3.767 353 3HG2 VAL 45 HG23 VAL 45 -1.371 1.888 -3.720 354 H GLN 46 HN GLN 46 -0.741 2.183 -8.895 355 HA GLN 46 HA GLN 46 1.614 0.587 -9.611 356 1HB GLN 46 HB2 GLN 46 -0.728 -0.091 -10.205 357 2HB GLN 46 HB1 GLN 46 -0.796 1.286 -11.307 358 1HG GLN 46 HG2 GLN 46 1.046 0.417 -12.612 359 2HG GLN 46 HG1 GLN 46 1.317 -0.880 -11.447 360 1HE2 GLN 46 HE21 GLN 46 -0.854 -2.239 -11.050 361 2HE2 GLN 46 HE22 GLN 46 -1.703 -2.653 -12.460 362 H GLN 47 HN GLN 47 0.483 3.848 -10.163 363 HA GLN 47 HA GLN 47 2.125 4.172 -12.567 364 1HB GLN 47 HB2 GLN 47 0.359 6.007 -10.975 365 2HB GLN 47 HB1 GLN 47 1.421 6.648 -12.225 366 1HG GLN 47 HG2 GLN 47 -0.441 4.335 -12.792 367 2HG GLN 47 HG1 GLN 47 -0.983 6.008 -12.933 368 1HE2 GLN 47 HE21 GLN 47 0.319 7.421 -14.467 369 2HE2 GLN 47 HE22 GLN 47 1.066 6.689 -15.805 370 H PHE 48 HN PHE 48 2.041 6.035 -9.521 371 HA PHE 48 HA PHE 48 4.864 6.791 -9.918 372 1HB PHE 48 HB2 PHE 48 2.855 7.540 -7.777 373 2HB PHE 48 HB1 PHE 48 4.479 8.213 -7.914 374 HD1 PHE 48 HD1 PHE 48 5.030 9.838 -9.606 375 HD2 PHE 48 HD2 PHE 48 1.162 7.971 -9.546 376 HE1 PHE 48 HE1 PHE 48 4.204 11.495 -11.256 377 HE2 PHE 48 HE2 PHE 48 0.336 9.629 -11.195 378 HZ PHE 48 HZ PHE 48 1.858 11.391 -12.050 379 H ASP 49 HN ASP 49 3.363 4.140 -8.555 380 HA ASP 49 HA ASP 49 3.916 2.776 -6.640 381 1HB ASP 49 HB2 ASP 49 6.421 2.072 -7.008 382 2HB ASP 49 HB1 ASP 49 5.221 1.699 -8.249 383 HA PRO 50 HA PRO 50 5.864 6.187 -4.141 384 1HB PRO 50 HB2 PRO 50 4.013 5.508 -2.006 385 2HB PRO 50 HB1 PRO 50 4.099 7.006 -2.940 386 1HG PRO 50 HG2 PRO 50 2.080 4.970 -3.134 387 2HG PRO 50 HG1 PRO 50 2.237 6.417 -4.140 388 1HD PRO 50 HD2 PRO 50 2.799 3.650 -4.865 389 2HD PRO 50 HD1 PRO 50 2.826 5.083 -5.914 390 H THR 51 HN THR 51 7.264 5.832 -2.299 391 HA THR 51 HA THR 51 8.263 3.137 -2.065 392 HB THR 51 HB THR 51 9.826 4.039 -0.464 393 HG1 THR 51 HG1 THR 51 8.074 5.245 0.626 394 1HG2 THR 51 HG21 THR 51 9.131 6.110 -2.565 395 2HG2 THR 51 HG22 THR 51 10.203 4.727 -2.782 396 3HG2 THR 51 HG23 THR 51 10.658 6.032 -1.687 397 H ALA 52 HN ALA 52 8.460 2.044 0.141 398 HA ALA 52 HA ALA 52 5.897 1.471 1.178 399 1HB ALA 52 HB1 ALA 52 8.456 1.161 2.753 400 2HB ALA 52 HB2 ALA 52 8.037 0.094 1.413 401 3HB ALA 52 HB3 ALA 52 7.002 0.165 2.839 402 H LYS 53 HN LYS 53 8.129 3.987 1.823 403 HA LYS 53 HA LYS 53 7.175 4.738 4.460 404 1HB LYS 53 HB2 LYS 53 8.644 6.609 2.623 405 2HB LYS 53 HB1 LYS 53 8.801 6.417 4.362 406 1HG LYS 53 HG2 LYS 53 9.712 4.079 3.894 407 2HG LYS 53 HG1 LYS 53 9.792 4.552 2.200 408 1HD LYS 53 HD2 LYS 53 11.923 5.207 2.799 409 2HD LYS 53 HD1 LYS 53 11.083 6.680 3.275 410 1HE LYS 53 HE2 LYS 53 11.735 4.350 5.109 411 2HE LYS 53 HE1 LYS 53 12.589 5.892 5.066 412 1HZ LYS 53 HZ1 LYS 53 10.393 6.954 5.545 413 2HZ LYS 53 HZ2 LYS 53 11.027 6.015 6.811 414 3HZ LYS 53 HZ3 LYS 53 9.772 5.404 5.843 415 H ASP 54 HN ASP 54 6.602 6.052 1.155 416 HA ASP 54 HA ASP 54 4.622 7.985 2.253 417 1HB ASP 54 HB2 ASP 54 5.960 8.698 0.323 418 2HB ASP 54 HB1 ASP 54 5.410 7.294 -0.594 419 H LEU 55 HN LEU 55 4.701 4.722 1.319 420 HA LEU 55 HA LEU 55 1.898 4.627 0.507 421 1HB LEU 55 HB2 LEU 55 3.981 2.615 1.256 422 2HB LEU 55 HB1 LEU 55 2.306 2.103 1.366 423 HG LEU 55 HG LEU 55 3.292 3.468 -1.140 424 1HD1 LEU 55 HD11 LEU 55 3.694 0.578 -0.346 425 2HD1 LEU 55 HD12 LEU 55 4.903 1.720 -0.934 426 3HD1 LEU 55 HD13 LEU 55 3.669 1.100 -2.030 427 1HD2 LEU 55 HD21 LEU 55 0.878 3.089 -0.895 428 2HD2 LEU 55 HD22 LEU 55 1.161 1.385 -0.542 429 3HD2 LEU 55 HD23 LEU 55 1.520 2.025 -2.145 430 H GLN 56 HN GLN 56 3.736 4.713 3.478 431 HA GLN 56 HA GLN 56 1.492 3.892 5.167 432 1HB GLN 56 HB2 GLN 56 4.230 5.045 5.723 433 2HB GLN 56 HB1 GLN 56 3.057 4.732 7.002 434 1HG GLN 56 HG2 GLN 56 2.978 2.374 6.429 435 2HG GLN 56 HG1 GLN 56 4.009 2.644 5.022 436 1HE2 GLN 56 HE21 GLN 56 6.138 4.044 5.833 437 2HE2 GLN 56 HE22 GLN 56 6.923 3.336 7.160 438 H ASP 57 HN ASP 57 2.811 6.891 3.889 439 HA ASP 57 HA ASP 57 1.213 8.551 5.747 440 1HB ASP 57 HB2 ASP 57 3.444 9.310 4.759 441 2HB ASP 57 HB1 ASP 57 2.619 9.440 3.206 442 H LEU 58 HN LEU 58 0.779 7.152 2.580 443 HA LEU 58 HA LEU 58 -1.681 8.787 2.151 444 1HB LEU 58 HB2 LEU 58 -0.130 6.757 0.548 445 2HB LEU 58 HB1 LEU 58 -1.850 6.942 0.206 446 HG LEU 58 HG LEU 58 -1.528 9.351 -0.174 447 1HD1 LEU 58 HD11 LEU 58 1.371 8.702 0.424 448 2HD1 LEU 58 HD12 LEU 58 0.321 9.786 1.335 449 3HD1 LEU 58 HD13 LEU 58 0.828 10.216 -0.298 450 1HD2 LEU 58 HD21 LEU 58 -0.181 9.174 -2.248 451 2HD2 LEU 58 HD22 LEU 58 -1.282 7.807 -2.079 452 3HD2 LEU 58 HD23 LEU 58 0.431 7.611 -1.707 453 H LEU 59 HN LEU 59 -0.679 5.885 3.636 454 HA LEU 59 HA LEU 59 -3.466 4.815 3.737 455 1HB LEU 59 HB2 LEU 59 -1.621 3.213 3.335 456 2HB LEU 59 HB1 LEU 59 -0.853 3.714 4.838 457 HG LEU 59 HG LEU 59 -3.706 2.880 5.125 458 1HD1 LEU 59 HD11 LEU 59 -1.557 0.875 4.384 459 2HD1 LEU 59 HD12 LEU 59 -3.033 1.217 3.481 460 3HD1 LEU 59 HD13 LEU 59 -3.128 0.456 5.069 461 1HD2 LEU 59 HD21 LEU 59 -1.261 1.870 6.597 462 2HD2 LEU 59 HD22 LEU 59 -2.927 1.934 7.169 463 3HD2 LEU 59 HD23 LEU 59 -2.002 3.422 6.981 464 H GLN 60 HN GLN 60 -1.305 6.769 5.574 465 HA GLN 60 HA GLN 60 -2.760 6.232 8.109 466 1HB GLN 60 HB2 GLN 60 -0.351 7.860 7.326 467 2HB GLN 60 HB1 GLN 60 -1.124 8.114 8.889 468 1HG GLN 60 HG2 GLN 60 -0.334 5.350 7.952 469 2HG GLN 60 HG1 GLN 60 0.802 6.397 8.803 470 1HE2 GLN 60 HE21 GLN 60 -0.593 3.825 9.701 471 2HE2 GLN 60 HE22 GLN 60 -1.348 4.243 11.163 472 H TYR 61 HN TYR 61 -2.716 8.536 5.482 473 HA TYR 61 HA TYR 61 -4.292 10.530 7.045 474 1HB TYR 61 HB2 TYR 61 -2.858 10.583 4.385 475 2HB TYR 61 HB1 TYR 61 -4.053 11.815 4.789 476 HD1 TYR 61 HD1 TYR 61 -1.158 10.064 6.436 477 HD2 TYR 61 HD2 TYR 61 -3.234 13.769 5.781 478 HE1 TYR 61 HE1 TYR 61 0.544 11.258 7.787 479 HE2 TYR 61 HE2 TYR 61 -1.531 14.961 7.131 480 HH TYR 61 HH TYR 61 1.353 13.306 8.330 481 H LEU 62 HN LEU 62 -4.465 8.786 3.918 482 HA LEU 62 HA LEU 62 -7.233 9.490 3.475 483 1HB LEU 62 HB2 LEU 62 -5.513 8.561 1.753 484 2HB LEU 62 HB1 LEU 62 -5.915 6.981 2.418 485 HG LEU 62 HG LEU 62 -8.355 7.518 1.966 486 1HD1 LEU 62 HD11 LEU 62 -8.572 9.812 1.633 487 2HD1 LEU 62 HD12 LEU 62 -8.474 9.270 -0.037 488 3HD1 LEU 62 HD13 LEU 62 -7.051 9.944 0.752 489 1HD2 LEU 62 HD21 LEU 62 -6.432 7.407 -0.380 490 2HD2 LEU 62 HD22 LEU 62 -8.146 6.998 -0.456 491 3HD2 LEU 62 HD23 LEU 62 -7.050 6.023 0.523 492 H CYS 63 HN CYS 63 -5.728 7.224 5.566 493 HA CYS 63 HA CYS 63 -8.375 5.902 6.004 494 1HB CYS 63 HB2 CYS 63 -5.820 4.851 7.196 495 2HB CYS 63 HB1 CYS 63 -7.280 3.989 6.730 496 HG CYS 63 HG CYS 63 -6.257 5.049 4.206 497 H SER 64 HN SER 64 -6.917 5.089 8.725 498 HA SER 64 HA SER 64 -6.656 7.655 10.085 499 1HB SER 64 HB2 SER 64 -9.043 7.609 10.070 500 2HB SER 64 HB1 SER 64 -9.078 5.910 10.527 501 HG SER 64 HG SER 64 -9.347 6.880 12.428 502 H SER 65 HN SER 65 -7.439 4.220 10.855 503 HA SER 65 HA SER 65 -4.865 3.876 12.158 504 1HB SER 65 HB2 SER 65 -5.816 5.166 13.941 505 2HB SER 65 HB1 SER 65 -7.337 4.281 13.856 506 HG SER 65 HG SER 65 -5.896 2.379 14.315 507 H LEU 66 HN LEU 66 -8.076 2.537 13.026 508 HA LEU 66 HA LEU 66 -7.333 -0.133 13.182 509 1HB LEU 66 HB2 LEU 66 -9.900 1.203 12.337 510 2HB LEU 66 HB1 LEU 66 -9.772 -0.556 12.288 511 HG LEU 66 HG LEU 66 -9.243 -0.648 14.649 512 1HD1 LEU 66 HD11 LEU 66 -7.867 1.302 14.932 513 2HD1 LEU 66 HD12 LEU 66 -9.274 1.524 15.973 514 3HD1 LEU 66 HD13 LEU 66 -9.178 2.372 14.430 515 1HD2 LEU 66 HD21 LEU 66 -11.637 -0.453 14.012 516 2HD2 LEU 66 HD22 LEU 66 -11.524 1.299 14.180 517 3HD2 LEU 66 HD23 LEU 66 -11.318 0.263 15.592 518 H VAL 67 HN VAL 67 -8.828 1.269 10.243 519 HA VAL 67 HA VAL 67 -8.637 -0.677 8.447 520 HB VAL 67 HB VAL 67 -7.364 1.983 7.799 521 1HG1 VAL 67 HG11 VAL 67 -7.234 0.361 5.989 522 2HG1 VAL 67 HG12 VAL 67 -8.461 1.562 5.587 523 3HG1 VAL 67 HG13 VAL 67 -8.944 -0.029 6.174 524 1HG2 VAL 67 HG21 VAL 67 -9.739 2.670 7.264 525 2HG2 VAL 67 HG22 VAL 67 -9.421 2.444 8.984 526 3HG2 VAL 67 HG23 VAL 67 -10.279 1.199 8.075 527 H ALA 68 HN ALA 68 -5.773 1.021 9.718 528 HA ALA 68 HA ALA 68 -3.816 -0.234 8.026 529 1HB ALA 68 HB1 ALA 68 -3.407 0.757 10.862 530 2HB ALA 68 HB2 ALA 68 -3.452 1.827 9.461 531 3HB ALA 68 HB3 ALA 68 -2.187 0.606 9.598 532 H SER 69 HN SER 69 -5.222 -1.054 11.196 533 HA SER 69 HA SER 69 -3.661 -3.374 11.860 534 1HB SER 69 HB2 SER 69 -5.240 -2.427 13.405 535 2HB SER 69 HB1 SER 69 -6.574 -2.722 12.304 536 HG SER 69 HG SER 69 -4.877 -4.672 13.477 537 H LEU 70 HN LEU 70 -6.990 -3.467 10.768 538 HA LEU 70 HA LEU 70 -7.491 -5.869 9.772 539 1HB LEU 70 HB2 LEU 70 -8.232 -3.160 8.744 540 2HB LEU 70 HB1 LEU 70 -8.884 -4.625 8.025 541 HG LEU 70 HG LEU 70 -9.689 -5.348 10.270 542 1HD1 LEU 70 HD11 LEU 70 -9.822 -3.428 11.982 543 2HD1 LEU 70 HD12 LEU 70 -8.545 -2.661 11.041 544 3HD1 LEU 70 HD13 LEU 70 -8.265 -4.231 11.798 545 1HD2 LEU 70 HD21 LEU 70 -11.475 -3.547 10.435 546 2HD2 LEU 70 HD22 LEU 70 -11.275 -4.259 8.834 547 3HD2 LEU 70 HD23 LEU 70 -10.594 -2.670 9.184 548 H HIS 71 HN HIS 71 -6.658 -3.343 7.398 549 HA HIS 71 HA HIS 71 -6.433 -5.071 5.357 550 1HB HIS 71 HB2 HIS 71 -6.572 -2.893 4.570 551 2HB HIS 71 HB1 HIS 71 -5.422 -2.294 5.758 552 HD1 HIS 71 HD1 HIS 71 -5.621 -3.815 2.331 553 HD2 HIS 71 HD2 HIS 71 -2.695 -2.390 4.935 554 HE1 HIS 71 HE1 HIS 71 -3.479 -3.663 0.989 555 H HIS 72 HN HIS 72 -3.556 -3.666 7.022 556 HA HIS 72 HA HIS 72 -1.740 -5.288 5.574 557 1HB HIS 72 HB2 HIS 72 -0.849 -3.343 6.751 558 2HB HIS 72 HB1 HIS 72 -1.415 -3.965 8.300 559 HD1 HIS 72 HD1 HIS 72 -0.298 -6.421 8.945 560 HD2 HIS 72 HD2 HIS 72 1.768 -4.039 6.218 561 HE1 HIS 72 HE1 HIS 72 2.079 -7.293 8.890 562 H GLN 73 HN GLN 73 -3.937 -6.008 8.005 563 HA GLN 73 HA GLN 73 -2.719 -8.226 9.325 564 1HB GLN 73 HB2 GLN 73 -5.163 -7.170 9.597 565 2HB GLN 73 HB1 GLN 73 -5.602 -8.440 8.452 566 1HG GLN 73 HG2 GLN 73 -5.908 -9.332 10.661 567 2HG GLN 73 HG1 GLN 73 -4.459 -10.086 9.996 568 1HE2 GLN 73 HE21 GLN 73 -3.039 -10.303 11.748 569 2HE2 GLN 73 HE22 GLN 73 -2.650 -9.057 12.833 570 H GLN 74 HN GLN 74 -4.782 -8.165 6.382 571 HA GLN 74 HA GLN 74 -4.440 -10.738 5.483 572 1HB GLN 74 HB2 GLN 74 -4.491 -8.132 3.952 573 2HB GLN 74 HB1 GLN 74 -4.353 -9.668 3.096 574 1HG GLN 74 HG2 GLN 74 -6.717 -8.963 3.298 575 2HG GLN 74 HG1 GLN 74 -6.419 -10.467 4.172 576 1HE2 GLN 74 HE21 GLN 74 -6.256 -6.916 4.841 577 2HE2 GLN 74 HE22 GLN 74 -6.936 -7.034 6.392 578 H LEU 75 HN LEU 75 -2.453 -8.024 4.151 579 HA LEU 75 HA LEU 75 -0.145 -9.132 3.112 580 1HB LEU 75 HB2 LEU 75 -0.864 -6.650 3.825 581 2HB LEU 75 HB1 LEU 75 0.222 -6.993 5.167 582 HG LEU 75 HG LEU 75 0.909 -7.192 2.208 583 1HD1 LEU 75 HD11 LEU 75 2.086 -5.353 4.303 584 2HD1 LEU 75 HD12 LEU 75 0.696 -4.888 3.321 585 3HD1 LEU 75 HD13 LEU 75 2.240 -5.249 2.550 586 1HD2 LEU 75 HD21 LEU 75 2.444 -7.850 4.738 587 2HD2 LEU 75 HD22 LEU 75 3.259 -7.501 3.214 588 3HD2 LEU 75 HD23 LEU 75 2.171 -8.882 3.334 589 H ASP 76 HN ASP 76 -0.361 -8.397 6.590 590 HA ASP 76 HA ASP 76 1.813 -9.346 7.792 591 1HB ASP 76 HB2 ASP 76 -0.573 -8.912 8.742 592 2HB ASP 76 HB1 ASP 76 -0.730 -10.661 8.697 593 H SER 77 HN SER 77 -0.747 -11.761 7.326 594 HA SER 77 HA SER 77 1.124 -13.972 7.236 595 1HB SER 77 HB2 SER 77 -1.868 -13.733 6.850 596 2HB SER 77 HB1 SER 77 -0.996 -15.269 6.787 597 HG SER 77 HG SER 77 -0.985 -15.253 8.881 598 H LEU 78 HN LEU 78 -0.695 -12.057 4.848 599 HA LEU 78 HA LEU 78 -0.689 -13.830 2.749 600 1HB LEU 78 HB2 LEU 78 -1.263 -11.154 2.955 601 2HB LEU 78 HB1 LEU 78 0.178 -11.084 1.942 602 HG LEU 78 HG LEU 78 -2.167 -12.896 1.373 603 1HD1 LEU 78 HD11 LEU 78 -2.926 -11.247 -0.253 604 2HD1 LEU 78 HD12 LEU 78 -1.539 -10.213 0.088 605 3HD1 LEU 78 HD13 LEU 78 -2.787 -10.447 1.313 606 1HD2 LEU 78 HD21 LEU 78 -1.115 -12.859 -0.923 607 2HD2 LEU 78 HD22 LEU 78 -0.115 -13.614 0.318 608 3HD2 LEU 78 HD23 LEU 78 0.240 -11.973 -0.222 609 H ILE 79 HN ILE 79 1.974 -11.608 3.723 610 HA ILE 79 HA ILE 79 3.902 -12.498 1.859 611 HB ILE 79 HB ILE 79 3.771 -10.635 3.927 612 1HG1 ILE 79 HG12 ILE 79 6.167 -10.163 3.403 613 2HG1 ILE 79 HG11 ILE 79 6.268 -11.699 2.551 614 1HG2 ILE 79 HG21 ILE 79 5.623 -11.145 5.480 615 2HG2 ILE 79 HG22 ILE 79 5.726 -12.778 4.837 616 3HG2 ILE 79 HG23 ILE 79 4.273 -12.250 5.688 617 1HD1 ILE 79 HD11 ILE 79 5.647 -9.329 1.348 618 2HD1 ILE 79 HD12 ILE 79 4.031 -9.946 1.686 619 3HD1 ILE 79 HD13 ILE 79 5.161 -10.903 0.723 620 H SER 80 HN SER 80 3.240 -13.592 5.209 621 HA SER 80 HA SER 80 5.033 -15.727 5.299 622 1HB SER 80 HB2 SER 80 2.196 -15.919 6.332 623 2HB SER 80 HB1 SER 80 3.629 -16.724 6.967 624 HG SER 80 HG SER 80 4.415 -14.741 7.624 625 H GLU 81 HN GLU 81 1.628 -15.913 4.071 626 HA GLU 81 HA GLU 81 2.076 -18.625 3.157 627 1HB GLU 81 HB2 GLU 81 -0.133 -16.695 2.410 628 2HB GLU 81 HB1 GLU 81 -0.162 -18.449 2.228 629 1HG GLU 81 HG2 GLU 81 -0.035 -18.750 4.640 630 2HG GLU 81 HG1 GLU 81 0.149 -17.012 4.879 631 H ALA 82 HN ALA 82 2.325 -15.431 1.572 632 HA ALA 82 HA ALA 82 2.141 -16.599 -0.980 633 1HB ALA 82 HB1 ALA 82 1.692 -14.301 -0.997 634 2HB ALA 82 HB2 ALA 82 3.283 -14.353 -1.757 635 3HB ALA 82 HB3 ALA 82 3.130 -13.913 -0.055 636 H GLU 83 HN GLU 83 4.868 -15.567 1.049 637 HA GLU 83 HA GLU 83 6.926 -16.060 -0.816 638 1HB GLU 83 HB2 GLU 83 8.494 -16.038 1.068 639 2HB GLU 83 HB1 GLU 83 7.272 -14.793 1.314 640 1HG GLU 83 HG2 GLU 83 7.347 -15.837 3.412 641 2HG GLU 83 HG1 GLU 83 5.992 -16.647 2.635 642 H THR 84 HN THR 84 5.158 -18.151 1.366 643 HA THR 84 HA THR 84 6.818 -20.461 1.230 644 HB THR 84 HB THR 84 3.956 -21.119 1.184 645 HG1 THR 84 HG1 THR 84 3.411 -19.835 2.972 646 1HG2 THR 84 HG21 THR 84 5.799 -21.063 3.579 647 2HG2 THR 84 HG22 THR 84 5.914 -22.320 2.346 648 3HG2 THR 84 HG23 THR 84 4.429 -22.132 3.279 649 H ARG 85 HN ARG 85 4.083 -19.451 -0.849 650 HA ARG 85 HA ARG 85 3.789 -21.470 -2.639 651 1HB ARG 85 HB2 ARG 85 2.587 -19.401 -2.947 652 2HB ARG 85 HB1 ARG 85 4.073 -18.533 -3.311 653 1HG ARG 85 HG2 ARG 85 3.548 -20.898 -5.052 654 2HG ARG 85 HG1 ARG 85 2.408 -19.569 -5.234 655 1HD ARG 85 HD2 ARG 85 4.066 -18.070 -5.953 656 2HD ARG 85 HD1 ARG 85 5.382 -19.014 -5.256 657 HE ARG 85 HE ARG 85 4.296 -20.695 -7.176 658 1HH1 ARG 85 HH21 ARG 85 5.488 -17.463 -7.050 659 2HH1 ARG 85 HH22 ARG 85 6.047 -17.462 -8.689 660 1HH2 ARG 85 HH11 ARG 85 5.018 -20.713 -9.320 661 2HH2 ARG 85 HH12 ARG 85 5.780 -19.303 -9.974 662 H GLY 86 HN GLY 86 6.673 -19.405 -2.464 663 1HA GLY 86 HA2 GLY 86 8.816 -20.294 -3.216 664 2HA GLY 86 HA1 GLY 86 7.978 -21.241 -4.443 665 H ILE 87 HN ILE 87 8.060 -17.788 -3.500 666 HA ILE 87 HA ILE 87 7.607 -16.773 -6.133 667 HB ILE 87 HB ILE 87 9.113 -15.459 -3.845 668 1HG1 ILE 87 HG12 ILE 87 7.015 -16.403 -3.047 669 2HG1 ILE 87 HG11 ILE 87 6.882 -14.648 -3.111 670 1HG2 ILE 87 HG21 ILE 87 9.187 -13.638 -5.202 671 2HG2 ILE 87 HG22 ILE 87 7.427 -13.587 -5.180 672 3HG2 ILE 87 HG23 ILE 87 8.262 -14.473 -6.453 673 1HD1 ILE 87 HD11 ILE 87 5.890 -15.087 -5.508 674 2HD1 ILE 87 HD12 ILE 87 4.873 -15.345 -4.094 675 3HD1 ILE 87 HD13 ILE 87 5.630 -16.717 -4.895 676 H THR 88 HN THR 88 9.936 -14.931 -6.115 677 HA THR 88 HA THR 88 11.698 -16.428 -7.839 678 HB THR 88 HB THR 88 12.395 -13.814 -6.478 679 HG1 THR 88 HG1 THR 88 10.625 -14.398 -8.583 680 1HG2 THR 88 HG21 THR 88 14.184 -14.896 -7.763 681 2HG2 THR 88 HG22 THR 88 13.628 -13.444 -8.596 682 3HG2 THR 88 HG23 THR 88 13.114 -15.034 -9.159 683 H SER 89 HN SER 89 11.659 -18.037 -5.778 684 HA SER 89 HA SER 89 12.852 -18.998 -3.995 685 1HB SER 89 HB2 SER 89 14.392 -19.371 -5.913 686 2HB SER 89 HB1 SER 89 15.164 -17.824 -5.578 687 HG SER 89 HG SER 89 16.160 -18.682 -3.920 688 H TYR 90 HN TYR 90 12.193 -16.000 -3.964 689 HA TYR 90 HA TYR 90 12.567 -14.119 -2.679 690 1HB TYR 90 HB2 TYR 90 12.978 -14.752 -0.200 691 2HB TYR 90 HB1 TYR 90 11.501 -15.317 -0.984 692 HD1 TYR 90 HD1 TYR 90 14.786 -16.288 0.356 693 HD2 TYR 90 HD2 TYR 90 11.234 -17.668 -1.627 694 HE1 TYR 90 HE1 TYR 90 15.421 -18.634 0.850 695 HE2 TYR 90 HE2 TYR 90 11.870 -20.014 -1.133 696 HH TYR 90 HH TYR 90 13.836 -21.312 -0.608 697 H ASN 91 HN ASN 91 14.108 -12.619 -2.390 698 HA ASN 91 HA ASN 91 16.909 -13.476 -1.738 699 1HB ASN 91 HB2 ASN 91 15.930 -12.275 -4.246 700 2HB ASN 91 HB1 ASN 91 17.418 -11.585 -3.578 701 1HD2 ASN 91 HD21 ASN 91 16.125 -14.963 -3.682 702 2HD2 ASN 91 HD22 ASN 91 17.519 -15.621 -4.393 703 HA PRO 92 HA PRO 92 16.741 -8.863 -0.457 704 1HB PRO 92 HB2 PRO 92 14.765 -7.199 -1.349 705 2HB PRO 92 HB1 PRO 92 16.223 -7.525 -2.303 706 1HG PRO 92 HG2 PRO 92 13.468 -8.695 -2.627 707 2HG PRO 92 HG1 PRO 92 14.621 -8.191 -3.879 708 1HD PRO 92 HD2 PRO 92 14.250 -10.833 -3.131 709 2HD PRO 92 HD1 PRO 92 15.754 -10.164 -3.800 710 H LEU 93 HN LEU 93 13.489 -10.284 -0.685 711 HA LEU 93 HA LEU 93 12.228 -8.769 1.308 712 1HB LEU 93 HB2 LEU 93 11.856 -11.756 1.407 713 2HB LEU 93 HB1 LEU 93 10.653 -10.471 1.533 714 HG LEU 93 HG LEU 93 11.503 -9.963 -0.988 715 1HD1 LEU 93 HD11 LEU 93 11.657 -12.971 -0.909 716 2HD1 LEU 93 HD12 LEU 93 13.109 -12.004 -0.656 717 3HD1 LEU 93 HD13 LEU 93 12.207 -11.867 -2.169 718 1HD2 LEU 93 HD21 LEU 93 9.448 -11.951 0.014 719 2HD2 LEU 93 HD22 LEU 93 9.630 -11.630 -1.707 720 3HD2 LEU 93 HD23 LEU 93 9.190 -10.323 -0.608 721 H ALA 94 HN ALA 94 14.057 -11.713 1.751 722 HA ALA 94 HA ALA 94 14.528 -12.510 4.151 723 1HB ALA 94 HB1 ALA 94 16.895 -10.970 3.091 724 2HB ALA 94 HB2 ALA 94 16.304 -12.424 2.286 725 3HB ALA 94 HB3 ALA 94 16.881 -12.510 3.953 726 H GLY 95 HN GLY 95 15.697 -9.218 3.474 727 1HA GLY 95 HA2 GLY 95 15.978 -8.470 6.265 728 2HA GLY 95 HA1 GLY 95 15.962 -7.354 4.891 729 HA PRO 96 HA PRO 96 11.958 -7.000 6.997 730 1HB PRO 96 HB2 PRO 96 11.919 -4.119 6.913 731 2HB PRO 96 HB1 PRO 96 12.260 -5.127 8.328 732 1HG PRO 96 HG2 PRO 96 14.153 -3.566 6.727 733 2HG PRO 96 HG1 PRO 96 14.447 -4.415 8.249 734 1HD PRO 96 HD2 PRO 96 15.265 -5.239 5.587 735 2HD PRO 96 HD1 PRO 96 15.556 -6.081 7.118 736 H LEU 97 HN LEU 97 9.851 -5.648 5.891 737 HA LEU 97 HA LEU 97 10.105 -6.071 3.008 738 1HB LEU 97 HB2 LEU 97 7.798 -4.653 4.366 739 2HB LEU 97 HB1 LEU 97 7.771 -5.642 2.906 740 HG LEU 97 HG LEU 97 8.280 -6.629 5.728 741 1HD1 LEU 97 HD11 LEU 97 5.990 -7.076 3.788 742 2HD1 LEU 97 HD12 LEU 97 5.921 -6.120 5.268 743 3HD1 LEU 97 HD13 LEU 97 6.160 -7.865 5.356 744 1HD2 LEU 97 HD21 LEU 97 8.372 -7.990 3.027 745 2HD2 LEU 97 HD22 LEU 97 8.125 -8.894 4.522 746 3HD2 LEU 97 HD23 LEU 97 9.612 -7.978 4.281 747 H ARG 98 HN ARG 98 9.240 -3.140 4.929 748 HA ARG 98 HA ARG 98 9.225 -1.137 3.098 749 1HB ARG 98 HB2 ARG 98 10.633 -1.203 5.767 750 2HB ARG 98 HB1 ARG 98 10.510 0.277 4.816 751 1HG ARG 98 HG2 ARG 98 8.120 0.243 4.896 752 2HG ARG 98 HG1 ARG 98 8.097 -1.404 5.528 753 1HD ARG 98 HD2 ARG 98 9.282 0.975 6.987 754 2HD ARG 98 HD1 ARG 98 7.676 0.314 7.293 755 HE ARG 98 HE ARG 98 9.355 -1.873 7.567 756 1HH1 ARG 98 HH21 ARG 98 9.170 1.321 8.851 757 2HH1 ARG 98 HH22 ARG 98 9.885 0.895 10.370 758 1HH2 ARG 98 HH11 ARG 98 10.291 -2.448 9.543 759 2HH2 ARG 98 HH12 ARG 98 10.519 -1.238 10.762 760 H VAL 99 HN VAL 99 11.895 -3.042 4.008 761 HA VAL 99 HA VAL 99 14.041 -1.467 2.705 762 HB VAL 99 HB VAL 99 13.828 -3.983 4.304 763 1HG1 VAL 99 HG11 VAL 99 14.875 -5.008 2.390 764 2HG1 VAL 99 HG12 VAL 99 16.178 -4.654 3.526 765 3HG1 VAL 99 HG13 VAL 99 15.920 -3.610 2.131 766 1HG2 VAL 99 HG21 VAL 99 15.921 -3.059 5.283 767 2HG2 VAL 99 HG22 VAL 99 14.644 -1.844 5.247 768 3HG2 VAL 99 HG23 VAL 99 15.935 -1.802 4.050 769 H GLN 100 HN GLN 100 12.289 -4.491 1.995 770 HA GLN 100 HA GLN 100 13.559 -5.214 -0.327 771 1HB GLN 100 HB2 GLN 100 11.431 -6.185 0.914 772 2HB GLN 100 HB1 GLN 100 10.549 -5.260 -0.300 773 1HG GLN 100 HG2 GLN 100 12.554 -7.460 -0.736 774 2HG GLN 100 HG1 GLN 100 10.868 -7.416 -1.243 775 1HE2 GLN 100 HE21 GLN 100 10.484 -5.142 -2.595 776 2HE2 GLN 100 HE22 GLN 100 11.600 -4.922 -3.854 777 H ALA 101 HN ALA 101 10.734 -2.966 -0.242 778 HA ALA 101 HA ALA 101 11.248 -2.345 -3.072 779 1HB ALA 101 HB1 ALA 101 8.926 -2.307 -2.532 780 2HB ALA 101 HB2 ALA 101 9.362 -0.600 -2.643 781 3HB ALA 101 HB3 ALA 101 9.202 -1.369 -1.065 782 H ASN 102 HN ASN 102 11.949 -0.765 -0.014 783 HA ASN 102 HA ASN 102 12.762 1.712 -1.293 784 1HB ASN 102 HB2 ASN 102 13.549 0.519 1.388 785 2HB ASN 102 HB1 ASN 102 13.952 2.152 0.860 786 1HD2 ASN 102 HD21 ASN 102 10.857 0.481 0.215 787 2HD2 ASN 102 HD22 ASN 102 9.905 1.555 1.121 788 H ASN 103 HN ASN 103 13.760 -0.541 -2.715 789 HA ASN 103 HA ASN 103 16.713 -0.199 -2.330 790 1HB ASN 103 HB2 ASN 103 15.162 -2.745 -2.815 791 2HB ASN 103 HB1 ASN 103 16.906 -2.614 -3.041 792 1HD2 ASN 103 HD21 ASN 103 16.360 -0.492 -0.593 793 2HD2 ASN 103 HD22 ASN 103 16.535 -1.523 0.744 794 HA PRO 104 HA PRO 104 15.434 0.912 -6.680 795 1HB PRO 104 HB2 PRO 104 18.057 2.233 -6.773 796 2HB PRO 104 HB1 PRO 104 16.449 2.940 -6.991 797 1HG PRO 104 HG2 PRO 104 18.105 3.309 -4.735 798 2HG PRO 104 HG1 PRO 104 16.377 3.681 -4.816 799 1HD PRO 104 HD2 PRO 104 17.716 1.483 -3.403 800 2HD PRO 104 HD1 PRO 104 16.033 2.034 -3.246 801 H GLN 105 HN GLN 105 18.304 -0.599 -5.312 802 HA GLN 105 HA GLN 105 19.333 -1.488 -7.879 803 1HB GLN 105 HB2 GLN 105 20.706 -3.061 -6.451 804 2HB GLN 105 HB1 GLN 105 20.874 -1.360 -6.014 805 1HG GLN 105 HG2 GLN 105 19.283 -1.627 -4.186 806 2HG GLN 105 HG1 GLN 105 18.977 -3.299 -4.659 807 1HE2 GLN 105 HE21 GLN 105 20.180 -2.207 -2.092 808 2HE2 GLN 105 HE22 GLN 105 21.677 -2.992 -1.946 809 H GLN 106 HN GLN 106 16.790 -2.498 -5.813 810 HA GLN 106 HA GLN 106 16.316 -4.875 -7.553 811 1HB GLN 106 HB2 GLN 106 16.389 -4.861 -4.521 812 2HB GLN 106 HB1 GLN 106 15.606 -6.134 -5.456 813 1HG GLN 106 HG2 GLN 106 18.501 -5.326 -5.834 814 2HG GLN 106 HG1 GLN 106 17.988 -6.650 -4.790 815 1HE2 GLN 106 HE21 GLN 106 16.338 -8.221 -6.040 816 2HE2 GLN 106 HE22 GLN 106 16.820 -8.647 -7.611 817 H GLN 107 HN GLN 107 14.741 -3.253 -8.412 818 HA GLN 107 HA GLN 107 12.493 -2.556 -6.611 819 1HB GLN 107 HB2 GLN 107 11.658 -1.289 -8.582 820 2HB GLN 107 HB1 GLN 107 13.310 -0.843 -8.155 821 1HG GLN 107 HG2 GLN 107 14.155 -2.409 -9.896 822 2HG GLN 107 HG1 GLN 107 12.489 -2.759 -10.357 823 1HE2 GLN 107 HE21 GLN 107 13.543 -1.790 -12.498 824 2HE2 GLN 107 HE22 GLN 107 13.358 -0.116 -12.703 825 H GLY 108 HN GLY 108 13.281 -5.201 -8.586 826 1HA GLY 108 HA2 GLY 108 10.897 -5.801 -9.969 827 2HA GLY 108 HA1 GLY 108 11.940 -7.034 -9.253 828 H LEU 109 HN LEU 109 11.720 -7.145 -6.782 829 HA LEU 109 HA LEU 109 9.114 -7.957 -5.982 830 1HB LEU 109 HB2 LEU 109 11.678 -7.283 -4.637 831 2HB LEU 109 HB1 LEU 109 10.241 -7.356 -3.615 832 HG LEU 109 HG LEU 109 11.674 -9.490 -3.929 833 1HD1 LEU 109 HD11 LEU 109 8.670 -9.441 -4.268 834 2HD1 LEU 109 HD12 LEU 109 9.581 -9.551 -2.764 835 3HD1 LEU 109 HD13 LEU 109 9.585 -10.902 -3.902 836 1HD2 LEU 109 HD21 LEU 109 11.492 -9.152 -6.548 837 2HD2 LEU 109 HD22 LEU 109 9.974 -10.025 -6.346 838 3HD2 LEU 109 HD23 LEU 109 11.490 -10.765 -5.850 839 H ARG 110 HN ARG 110 9.893 -4.831 -6.775 840 HA ARG 110 HA ARG 110 8.090 -3.641 -4.688 841 1HB ARG 110 HB2 ARG 110 10.184 -2.366 -5.541 842 2HB ARG 110 HB1 ARG 110 9.332 -2.229 -7.076 843 1HG ARG 110 HG2 ARG 110 7.559 -0.968 -6.107 844 2HG ARG 110 HG1 ARG 110 8.119 -1.309 -4.471 845 1HD ARG 110 HD2 ARG 110 10.169 -0.030 -4.872 846 2HD ARG 110 HD1 ARG 110 9.690 0.249 -6.545 847 HE ARG 110 HE ARG 110 7.580 1.270 -5.054 848 1HH1 ARG 110 HH21 ARG 110 11.002 1.658 -5.184 849 2HH1 ARG 110 HH22 ARG 110 10.970 3.310 -4.665 850 1HH2 ARG 110 HH11 ARG 110 7.518 3.429 -4.374 851 2HH2 ARG 110 HH12 ARG 110 8.998 4.312 -4.206 852 H ARG 111 HN ARG 111 8.103 -3.138 -8.245 853 HA ARG 111 HA ARG 111 5.381 -2.672 -8.453 854 1HB ARG 111 HB2 ARG 111 5.479 -3.791 -10.740 855 2HB ARG 111 HB1 ARG 111 6.669 -2.530 -10.457 856 1HG ARG 111 HG2 ARG 111 7.900 -4.288 -11.454 857 2HG ARG 111 HG1 ARG 111 8.281 -4.399 -9.742 858 1HD ARG 111 HD2 ARG 111 7.337 -6.474 -9.579 859 2HD ARG 111 HD1 ARG 111 5.917 -6.012 -10.510 860 HE ARG 111 HE ARG 111 7.978 -6.162 -12.383 861 1HH1 ARG 111 HH21 ARG 111 6.517 -8.200 -10.019 862 2HH1 ARG 111 HH22 ARG 111 6.875 -9.666 -10.866 863 1HH2 ARG 111 HH11 ARG 111 8.451 -8.064 -13.506 864 2HH2 ARG 111 HH12 ARG 111 7.969 -9.590 -12.841 865 H GLU 112 HN GLU 112 6.873 -5.707 -7.645 866 HA GLU 112 HA GLU 112 4.371 -7.229 -8.001 867 1HB GLU 112 HB2 GLU 112 6.699 -8.249 -8.242 868 2HB GLU 112 HB1 GLU 112 6.845 -8.102 -6.494 869 1HG GLU 112 HG2 GLU 112 6.031 -10.311 -6.874 870 2HG GLU 112 HG1 GLU 112 4.628 -9.379 -6.347 871 H TYR 113 HN TYR 113 6.467 -6.413 -5.197 872 HA TYR 113 HA TYR 113 4.756 -7.222 -3.141 873 1HB TYR 113 HB2 TYR 113 6.960 -6.410 -2.601 874 2HB TYR 113 HB1 TYR 113 6.596 -4.814 -3.258 875 HD1 TYR 113 HD1 TYR 113 5.472 -7.254 -0.649 876 HD2 TYR 113 HD2 TYR 113 5.761 -3.136 -1.831 877 HE1 TYR 113 HE1 TYR 113 4.638 -6.555 1.578 878 HE2 TYR 113 HE2 TYR 113 4.924 -2.437 0.395 879 HH TYR 113 HH TYR 113 4.580 -3.172 2.540 880 H GLN 114 HN GLN 114 4.342 -4.605 -5.369 881 HA GLN 114 HA GLN 114 2.320 -3.229 -3.755 882 1HB GLN 114 HB2 GLN 114 3.613 -2.852 -6.421 883 2HB GLN 114 HB1 GLN 114 1.955 -2.267 -6.299 884 1HG GLN 114 HG2 GLN 114 3.593 -0.500 -5.727 885 2HG GLN 114 HG1 GLN 114 2.560 -0.896 -4.354 886 1HE2 GLN 114 HE21 GLN 114 5.660 -2.153 -5.740 887 2HE2 GLN 114 HE22 GLN 114 6.447 -2.264 -4.240 888 H GLN 115 HN GLN 115 2.489 -5.493 -6.468 889 HA GLN 115 HA GLN 115 -0.276 -5.616 -7.099 890 1HB GLN 115 HB2 GLN 115 1.654 -6.662 -8.385 891 2HB GLN 115 HB1 GLN 115 1.655 -7.948 -7.177 892 1HG GLN 115 HG2 GLN 115 0.286 -8.724 -8.976 893 2HG GLN 115 HG1 GLN 115 -0.816 -8.256 -7.681 894 1HE2 GLN 115 HE21 GLN 115 -2.504 -6.928 -8.348 895 2HE2 GLN 115 HE22 GLN 115 -2.468 -5.912 -9.708 896 H LEU 116 HN LEU 116 1.621 -7.153 -4.544 897 HA LEU 116 HA LEU 116 -0.665 -8.786 -3.640 898 1HB LEU 116 HB2 LEU 116 1.885 -8.248 -2.098 899 2HB LEU 116 HB1 LEU 116 0.818 -9.648 -1.986 900 HG LEU 116 HG LEU 116 2.557 -8.912 -4.361 901 1HD1 LEU 116 HD11 LEU 116 3.662 -11.094 -3.776 902 2HD1 LEU 116 HD12 LEU 116 2.689 -11.138 -2.305 903 3HD1 LEU 116 HD13 LEU 116 3.867 -9.847 -2.545 904 1HD2 LEU 116 HD21 LEU 116 0.596 -9.941 -5.242 905 2HD2 LEU 116 HD22 LEU 116 0.503 -11.087 -3.906 906 3HD2 LEU 116 HD23 LEU 116 1.775 -11.245 -5.117 907 H TRP 117 HN TRP 117 0.607 -5.650 -3.237 908 HA TRP 117 HA TRP 117 -0.576 -5.121 -0.622 909 1HB TRP 117 HB2 TRP 117 1.458 -3.935 -1.694 910 2HB TRP 117 HB1 TRP 117 0.279 -3.061 -2.668 911 HD1 TRP 117 HD1 TRP 117 1.494 -3.474 0.924 912 HE1 TRP 117 HE1 TRP 117 0.579 -1.524 2.341 913 HE3 TRP 117 HE3 TRP 117 -1.647 -1.317 -2.473 914 HZ2 TRP 117 HZ2 TRP 117 -1.245 0.663 2.067 915 HZ3 TRP 117 HZ3 TRP 117 -2.960 0.695 -1.870 916 HH2 TRP 117 HH2 TRP 117 -2.764 1.688 0.393 917 H LEU 118 HN LEU 118 -1.426 -4.572 -4.050 918 HA LEU 118 HA LEU 118 -3.847 -3.074 -3.431 919 1HB LEU 118 HB2 LEU 118 -2.837 -4.474 -5.915 920 2HB LEU 118 HB1 LEU 118 -4.392 -3.645 -5.848 921 HG LEU 118 HG LEU 118 -1.780 -2.297 -5.098 922 1HD1 LEU 118 HD11 LEU 118 -3.209 -2.190 -7.769 923 2HD1 LEU 118 HD12 LEU 118 -1.727 -3.093 -7.459 924 3HD1 LEU 118 HD13 LEU 118 -1.729 -1.333 -7.338 925 1HD2 LEU 118 HD21 LEU 118 -4.626 -1.382 -5.531 926 2HD2 LEU 118 HD22 LEU 118 -3.305 -0.263 -5.854 927 3HD2 LEU 118 HD23 LEU 118 -3.503 -0.946 -4.245 928 H ALA 119 HN ALA 119 -3.041 -6.508 -3.757 929 HA ALA 119 HA ALA 119 -5.824 -7.402 -3.771 930 1HB ALA 119 HB1 ALA 119 -3.473 -8.783 -2.420 931 2HB ALA 119 HB2 ALA 119 -3.770 -8.914 -4.154 932 3HB ALA 119 HB3 ALA 119 -4.958 -9.531 -3.006 933 H ALA 120 HN ALA 120 -3.677 -7.586 -0.877 934 HA ALA 120 HA ALA 120 -5.725 -7.570 0.971 935 1HB ALA 120 HB1 ALA 120 -3.475 -7.785 1.752 936 2HB ALA 120 HB2 ALA 120 -4.133 -6.327 2.501 937 3HB ALA 120 HB3 ALA 120 -3.038 -6.195 1.122 938 H PHE 121 HN PHE 121 -5.307 -5.059 -1.299 939 HA PHE 121 HA PHE 121 -6.712 -3.106 0.502 940 1HB PHE 121 HB2 PHE 121 -4.464 -2.532 -0.806 941 2HB PHE 121 HB1 PHE 121 -5.567 -2.291 -2.155 942 HD1 PHE 121 HD1 PHE 121 -7.425 -0.621 -1.972 943 HD2 PHE 121 HD2 PHE 121 -4.361 -0.980 1.016 944 HE1 PHE 121 HE1 PHE 121 -8.034 1.611 -1.080 945 HE2 PHE 121 HE2 PHE 121 -4.970 1.252 1.909 946 HZ PHE 121 HZ PHE 121 -6.807 2.547 0.861 947 H ALA 122 HN ALA 122 -6.974 -5.036 -2.397 948 HA ALA 122 HA ALA 122 -9.582 -3.714 -3.111 949 1HB ALA 122 HB1 ALA 122 -8.676 -5.856 -4.913 950 2HB ALA 122 HB2 ALA 122 -7.443 -4.620 -4.716 951 3HB ALA 122 HB3 ALA 122 -9.046 -4.176 -5.299 952 H ALA 123 HN ALA 123 -8.262 -6.684 -1.865 953 HA ALA 123 HA ALA 123 -10.963 -7.948 -2.058 954 1HB ALA 123 HB1 ALA 123 -8.474 -8.992 -0.659 955 2HB ALA 123 HB2 ALA 123 -8.807 -9.298 -2.364 956 3HB ALA 123 HB3 ALA 123 -9.904 -9.913 -1.127 957 H LEU 124 HN LEU 124 -10.043 -5.466 -0.535 958 HA LEU 124 HA LEU 124 -9.970 -6.049 2.131 959 1HB LEU 124 HB2 LEU 124 -10.310 -3.647 0.534 960 2HB LEU 124 HB1 LEU 124 -11.207 -3.488 2.043 961 HG LEU 124 HG LEU 124 -8.328 -4.368 1.900 962 1HD1 LEU 124 HD11 LEU 124 -9.319 -1.605 2.612 963 2HD1 LEU 124 HD12 LEU 124 -8.719 -2.025 1.010 964 3HD1 LEU 124 HD13 LEU 124 -7.647 -2.125 2.406 965 1HD2 LEU 124 HD21 LEU 124 -9.487 -3.058 4.313 966 2HD2 LEU 124 HD22 LEU 124 -8.329 -4.381 4.192 967 3HD2 LEU 124 HD23 LEU 124 -10.044 -4.694 3.967 968 HA PRO 125 HA PRO 125 -14.834 -4.728 1.956 969 1HB PRO 125 HB2 PRO 125 -15.629 -6.425 -0.305 970 2HB PRO 125 HB1 PRO 125 -16.098 -4.751 0.057 971 1HG PRO 125 HG2 PRO 125 -14.241 -5.543 -1.921 972 2HG PRO 125 HG1 PRO 125 -14.450 -3.905 -1.299 973 1HD PRO 125 HD2 PRO 125 -12.236 -5.692 -0.876 974 2HD PRO 125 HD1 PRO 125 -12.379 -4.012 -0.345 975 H GLY 126 HN GLY 126 -14.350 -7.911 0.496 976 1HA GLY 126 HA2 GLY 126 -15.621 -9.076 2.918 977 2HA GLY 126 HA1 GLY 126 -15.314 -9.927 1.391 978 H SER 127 HN SER 127 -13.588 -8.339 4.077 979 HA SER 127 HA SER 127 -12.257 -10.479 5.017 980 1HB SER 127 HB2 SER 127 -11.038 -9.752 2.435 981 2HB SER 127 HB1 SER 127 -9.875 -10.087 3.710 982 HG SER 127 HG SER 127 -10.358 -12.032 2.832 983 H ALA 128 HN ALA 128 -12.158 -7.008 4.825 984 HA ALA 128 HA ALA 128 -10.872 -6.930 7.341 985 1HB ALA 128 HB1 ALA 128 -8.634 -5.809 6.077 986 2HB ALA 128 HB2 ALA 128 -9.059 -7.161 5.043 987 3HB ALA 128 HB3 ALA 128 -8.725 -7.433 6.750 988 H LYS 129 HN LYS 129 -12.955 -5.441 6.558 989 HA LYS 129 HA LYS 129 -11.851 -2.730 6.951 990 1HB LYS 129 HB2 LYS 129 -12.970 -1.686 5.093 991 2HB LYS 129 HB1 LYS 129 -11.806 -2.896 4.585 992 1HG LYS 129 HG2 LYS 129 -13.385 -4.105 3.512 993 2HG LYS 129 HG1 LYS 129 -14.467 -4.079 4.888 994 1HD LYS 129 HD2 LYS 129 -15.506 -2.953 2.958 995 2HD LYS 129 HD1 LYS 129 -15.226 -1.800 4.238 996 1HE LYS 129 HE2 LYS 129 -14.032 -0.530 2.779 997 2HE LYS 129 HE1 LYS 129 -12.857 -1.835 2.625 998 1HZ LYS 129 HZ1 LYS 129 -13.780 -1.273 0.489 999 2HZ LYS 129 HZ2 LYS 129 -15.359 -1.541 1.056 1000 3HZ LYS 129 HZ3 LYS 129 -14.268 -2.837 0.927 1001 H ASP 130 HN ASP 130 -14.572 -1.859 5.771 1002 HA ASP 130 HA ASP 130 -16.760 -2.845 7.360 1003 1HB ASP 130 HB2 ASP 130 -16.999 -0.781 8.800 1004 2HB ASP 130 HB1 ASP 130 -15.648 -1.827 9.242 1005 HA PRO 131 HA PRO 131 -17.837 0.012 3.873 1006 1HB PRO 131 HB2 PRO 131 -19.123 -1.784 2.288 1007 2HB PRO 131 HB1 PRO 131 -17.352 -1.701 2.333 1008 1HG PRO 131 HG2 PRO 131 -19.168 -3.733 3.582 1009 2HG PRO 131 HG1 PRO 131 -17.530 -3.947 2.955 1010 1HD PRO 131 HD2 PRO 131 -18.250 -3.597 5.698 1011 2HD PRO 131 HD1 PRO 131 -16.612 -3.525 5.038 1012 H SER 132 HN SER 132 -19.829 -2.465 5.429 1013 HA SER 132 HA SER 132 -22.064 -2.190 6.419 1014 1HB SER 132 HB2 SER 132 -23.009 -0.095 6.582 1015 2HB SER 132 HB1 SER 132 -21.355 0.415 6.259 1016 HG SER 132 HG SER 132 -23.534 0.184 4.466 1017 H TRP 133 HN TRP 133 -21.383 -3.651 4.209 1018 HA TRP 133 HA TRP 133 -22.364 -4.744 2.412 1019 1HB TRP 133 HB2 TRP 133 -24.904 -3.188 2.931 1020 2HB TRP 133 HB1 TRP 133 -24.731 -4.830 2.310 1021 HD1 TRP 133 HD1 TRP 133 -24.840 -2.831 5.515 1022 HE1 TRP 133 HE1 TRP 133 -24.858 -4.443 7.527 1023 HE3 TRP 133 HE3 TRP 133 -23.888 -7.241 3.121 1024 HZ2 TRP 133 HZ2 TRP 133 -24.514 -7.234 8.052 1025 HZ3 TRP 133 HZ3 TRP 133 -23.739 -9.358 4.400 1026 HH2 TRP 133 HH2 TRP 133 -24.050 -9.361 6.860 1027 H ALA 134 HN ALA 134 -21.349 -3.995 0.653 1028 HA ALA 134 HA ALA 134 -22.649 -2.246 -1.195 1029 1HB ALA 134 HB1 ALA 134 -22.074 -0.395 0.210 1030 2HB ALA 134 HB2 ALA 134 -20.877 -0.400 -1.084 1031 3HB ALA 134 HB3 ALA 134 -20.457 -1.035 0.506 Start of MODEL 13 1 HT1 PRO 1 HT2 PRO 1 5.582 8.611 -0.949 2 HT2 PRO 1 HT1 PRO 1 5.140 10.057 -0.173 3 HA PRO 1 HA PRO 1 7.466 8.612 0.203 4 1HB PRO 1 HB2 PRO 1 8.791 10.999 -0.548 5 2HB PRO 1 HB1 PRO 1 8.891 9.443 -1.378 6 1HG PRO 1 HG2 PRO 1 7.499 11.873 -2.220 7 2HG PRO 1 HG1 PRO 1 7.844 10.408 -3.154 8 1HD PRO 1 HD2 PRO 1 5.322 11.193 -2.054 9 2HD PRO 1 HD1 PRO 1 5.702 9.676 -2.876 10 H VAL 2 HN VAL 2 7.959 9.070 2.284 11 HA VAL 2 HA VAL 2 7.577 11.762 3.406 12 HB VAL 2 HB VAL 2 6.236 10.701 5.357 13 1HG1 VAL 2 HG11 VAL 2 4.712 10.782 2.747 14 2HG1 VAL 2 HG12 VAL 2 5.358 12.250 3.473 15 3HG1 VAL 2 HG13 VAL 2 4.176 11.289 4.348 16 1HG2 VAL 2 HG21 VAL 2 6.713 8.348 4.366 17 2HG2 VAL 2 HG22 VAL 2 5.418 8.720 3.230 18 3HG2 VAL 2 HG23 VAL 2 5.085 8.668 4.962 19 H MET 3 HN MET 3 9.081 12.118 4.968 20 HA MET 3 HA MET 3 10.832 9.809 5.720 21 1HB MET 3 HB2 MET 3 11.290 12.789 5.714 22 2HB MET 3 HB1 MET 3 12.484 11.569 6.167 23 1HG MET 3 HG2 MET 3 12.380 10.572 3.950 24 2HG MET 3 HG1 MET 3 11.057 11.639 3.484 25 1HE MET 3 HE1 MET 3 14.756 11.308 4.505 26 2HE MET 3 HE2 MET 3 15.496 12.360 3.300 27 3HE MET 3 HE3 MET 3 14.512 10.994 2.781 28 H HIS 4 HN HIS 4 11.047 9.263 7.883 29 HA HIS 4 HA HIS 4 10.097 11.134 9.980 30 1HB HIS 4 HB2 HIS 4 8.108 9.793 9.292 31 2HB HIS 4 HB1 HIS 4 8.991 8.326 9.717 32 HD1 HIS 4 HD1 HIS 4 7.749 7.610 11.803 33 HD2 HIS 4 HD2 HIS 4 8.915 11.610 11.950 34 HE1 HIS 4 HE1 HIS 4 7.259 8.414 14.154 35 HA PRO 5 HA PRO 5 13.825 8.596 11.087 36 1HB PRO 5 HB2 PRO 5 14.966 10.949 12.327 37 2HB PRO 5 HB1 PRO 5 15.513 10.129 10.858 38 1HG PRO 5 HG2 PRO 5 14.222 12.693 11.025 39 2HG PRO 5 HG1 PRO 5 14.678 11.820 9.556 40 1HD PRO 5 HD2 PRO 5 12.007 12.186 10.696 41 2HD PRO 5 HD1 PRO 5 12.447 11.494 9.120 42 H HIS 6 HN HIS 6 13.681 7.500 13.036 43 HA HIS 6 HA HIS 6 11.783 7.953 15.011 44 1HB HIS 6 HB2 HIS 6 14.561 6.784 15.352 45 2HB HIS 6 HB1 HIS 6 13.266 6.640 16.540 46 HD1 HIS 6 HD1 HIS 6 13.775 3.973 15.857 47 HD2 HIS 6 HD2 HIS 6 11.707 6.321 13.103 48 HE1 HIS 6 HE1 HIS 6 12.604 2.369 14.285 49 H GLY 7 HN GLY 7 11.573 10.136 15.622 50 1HA GLY 7 HA2 GLY 7 12.448 11.277 17.822 51 2HA GLY 7 HA1 GLY 7 13.940 11.446 16.899 52 H ALA 8 HN ALA 8 13.284 12.322 14.476 53 HA ALA 8 HA ALA 8 12.346 15.001 14.982 54 1HB ALA 8 HB1 ALA 8 13.921 13.804 13.059 55 2HB ALA 8 HB2 ALA 8 13.313 15.450 12.943 56 3HB ALA 8 HB3 ALA 8 12.452 14.133 12.144 57 HA PRO 9 HA PRO 9 8.107 14.561 13.766 58 1HB PRO 9 HB2 PRO 9 7.777 16.661 11.900 59 2HB PRO 9 HB1 PRO 9 7.717 16.837 13.662 60 1HG PRO 9 HG2 PRO 9 9.750 17.835 11.850 61 2HG PRO 9 HG1 PRO 9 9.674 18.032 13.609 62 1HD PRO 9 HD2 PRO 9 11.308 16.154 12.024 63 2HD PRO 9 HD1 PRO 9 11.477 16.618 13.734 64 HA PRO 10 HA PRO 10 7.736 12.496 9.896 65 1HB PRO 10 HB2 PRO 10 5.160 13.354 9.029 66 2HB PRO 10 HB1 PRO 10 5.517 11.929 10.015 67 1HG PRO 10 HG2 PRO 10 4.313 14.476 10.854 68 2HG PRO 10 HG1 PRO 10 4.410 12.950 11.746 69 1HD PRO 10 HD2 PRO 10 5.962 15.310 12.220 70 2HD PRO 10 HD1 PRO 10 6.167 13.723 12.986 71 H ASN 11 HN ASN 11 9.326 13.732 8.631 72 HA ASN 11 HA ASN 11 8.529 16.296 7.474 73 1HB ASN 11 HB2 ASN 11 10.842 16.051 8.066 74 2HB ASN 11 HB1 ASN 11 10.984 14.570 7.128 75 1HD2 ASN 11 HD21 ASN 11 11.807 17.767 6.986 76 2HD2 ASN 11 HD22 ASN 11 11.791 18.000 5.305 77 H HIS 12 HN HIS 12 7.048 16.261 5.890 78 HA HIS 12 HA HIS 12 6.749 14.014 4.070 79 1HB HIS 12 HB2 HIS 12 5.592 16.809 3.842 80 2HB HIS 12 HB1 HIS 12 5.017 15.364 3.011 81 HD1 HIS 12 HD1 HIS 12 3.454 13.823 4.282 82 HD2 HIS 12 HD2 HIS 12 5.133 16.754 6.726 83 HE1 HIS 12 HE1 HIS 12 2.258 13.670 6.510 84 H ARG 13 HN ARG 13 7.609 13.812 2.005 85 HA ARG 13 HA ARG 13 9.706 15.751 1.282 86 1HB ARG 13 HB2 ARG 13 8.965 12.950 0.656 87 2HB ARG 13 HB1 ARG 13 9.707 13.805 -0.687 88 1HG ARG 13 HG2 ARG 13 11.621 14.396 0.780 89 2HG ARG 13 HG1 ARG 13 10.866 13.524 2.105 90 1HD ARG 13 HD2 ARG 13 11.116 11.435 1.040 91 2HD ARG 13 HD1 ARG 13 11.400 12.156 -0.539 92 HE ARG 13 HE ARG 13 13.376 11.510 1.468 93 1HH1 ARG 13 HH21 ARG 13 12.569 13.969 -0.821 94 2HH1 ARG 13 HH22 ARG 13 14.162 14.649 -0.830 95 1HH2 ARG 13 HH11 ARG 13 15.437 12.380 1.453 96 2HH2 ARG 13 HH12 ARG 13 15.781 13.751 0.453 97 HA PRO 14 HA PRO 14 7.647 18.038 -1.938 98 1HB PRO 14 HB2 PRO 14 9.435 17.097 -4.061 99 2HB PRO 14 HB1 PRO 14 9.293 18.707 -3.346 100 1HG PRO 14 HG2 PRO 14 11.386 16.796 -2.896 101 2HG PRO 14 HG1 PRO 14 11.178 18.360 -2.093 102 1HD PRO 14 HD2 PRO 14 10.832 15.755 -0.932 103 2HD PRO 14 HD1 PRO 14 10.545 17.323 -0.161 104 H TRP 15 HN TRP 15 7.497 17.310 -4.673 105 HA TRP 15 HA TRP 15 6.635 15.790 -6.224 106 1HB TRP 15 HB2 TRP 15 7.701 14.039 -4.496 107 2HB TRP 15 HB1 TRP 15 6.006 13.700 -4.163 108 HD1 TRP 15 HD1 TRP 15 5.019 14.242 -7.216 109 HE1 TRP 15 HE1 TRP 15 5.503 12.429 -8.982 110 HE3 TRP 15 HE3 TRP 15 8.836 11.755 -4.906 111 HZ2 TRP 15 HZ2 TRP 15 7.275 10.217 -9.367 112 HZ3 TRP 15 HZ3 TRP 15 9.903 9.802 -5.995 113 HH2 TRP 15 HH2 TRP 15 9.129 9.030 -8.220 114 H GLN 16 HN GLN 16 5.071 17.775 -4.842 115 HA GLN 16 HA GLN 16 2.751 18.215 -4.178 116 1HB GLN 16 HB2 GLN 16 1.358 17.532 -6.247 117 2HB GLN 16 HB1 GLN 16 2.675 18.676 -6.471 118 1HG GLN 16 HG2 GLN 16 4.136 16.893 -7.273 119 2HG GLN 16 HG1 GLN 16 2.879 15.692 -6.954 120 1HE2 GLN 16 HE21 GLN 16 3.792 18.380 -9.087 121 2HE2 GLN 16 HE22 GLN 16 2.629 18.053 -10.279 122 H MET 17 HN MET 17 2.365 16.771 -2.316 123 HA MET 17 HA MET 17 1.615 14.038 -2.767 124 1HB MET 17 HB2 MET 17 2.458 14.626 -0.599 125 2HB MET 17 HB1 MET 17 1.260 15.902 -0.404 126 1HG MET 17 HG2 MET 17 0.251 13.109 -0.830 127 2HG MET 17 HG1 MET 17 0.934 13.507 0.744 128 1HE MET 17 HE1 MET 17 -0.162 14.588 2.526 129 2HE MET 17 HE2 MET 17 -1.304 15.923 2.393 130 3HE MET 17 HE3 MET 17 0.323 16.096 1.740 131 H LYS 18 HN LYS 18 0.122 16.855 -3.549 132 HA LYS 18 HA LYS 18 -2.620 16.381 -2.781 133 1HB LYS 18 HB2 LYS 18 -3.092 18.009 -4.726 134 2HB LYS 18 HB1 LYS 18 -2.139 18.621 -3.376 135 1HG LYS 18 HG2 LYS 18 -0.079 18.275 -4.595 136 2HG LYS 18 HG1 LYS 18 -0.942 17.479 -5.912 137 1HD LYS 18 HD2 LYS 18 -1.378 20.357 -5.055 138 2HD LYS 18 HD1 LYS 18 -0.370 19.865 -6.414 139 1HE LYS 18 HE2 LYS 18 -2.347 20.243 -7.557 140 2HE LYS 18 HE1 LYS 18 -2.633 18.564 -7.102 141 1HZ LYS 18 HZ1 LYS 18 -4.450 19.310 -6.095 142 2HZ LYS 18 HZ2 LYS 18 -3.978 20.934 -6.251 143 3HZ LYS 18 HZ3 LYS 18 -3.438 20.012 -4.930 144 H ASP 19 HN ASP 19 -0.806 14.408 -4.473 145 HA ASP 19 HA ASP 19 -2.809 13.825 -6.611 146 1HB ASP 19 HB2 ASP 19 -0.383 13.818 -7.271 147 2HB ASP 19 HB1 ASP 19 -0.101 12.521 -6.109 148 H LEU 20 HN LEU 20 -1.432 12.589 -3.604 149 HA LEU 20 HA LEU 20 -2.868 10.066 -3.754 150 1HB LEU 20 HB2 LEU 20 -2.083 11.394 -1.159 151 2HB LEU 20 HB1 LEU 20 -2.152 9.671 -1.549 152 HG LEU 20 HG LEU 20 -0.149 11.680 -2.627 153 1HD1 LEU 20 HD11 LEU 20 1.476 10.449 -1.342 154 2HD1 LEU 20 HD12 LEU 20 0.289 9.214 -0.922 155 3HD1 LEU 20 HD13 LEU 20 0.144 10.839 -0.254 156 1HD2 LEU 20 HD21 LEU 20 0.875 9.549 -3.602 157 2HD2 LEU 20 HD22 LEU 20 -0.599 10.120 -4.384 158 3HD2 LEU 20 HD23 LEU 20 -0.666 8.765 -3.257 159 H GLN 21 HN GLN 21 -3.473 13.351 -2.623 160 HA GLN 21 HA GLN 21 -5.989 12.776 -1.326 161 1HB GLN 21 HB2 GLN 21 -4.684 14.902 -1.014 162 2HB GLN 21 HB1 GLN 21 -5.092 15.351 -2.670 163 1HG GLN 21 HG2 GLN 21 -7.484 15.283 -2.120 164 2HG GLN 21 HG1 GLN 21 -7.103 14.786 -0.471 165 1HE2 GLN 21 HE21 GLN 21 -5.171 17.175 -2.260 166 2HE2 GLN 21 HE22 GLN 21 -5.596 18.499 -1.287 167 H ALA 22 HN ALA 22 -4.996 13.631 -4.626 168 HA ALA 22 HA ALA 22 -7.483 14.047 -5.849 169 1HB ALA 22 HB1 ALA 22 -5.289 12.340 -7.059 170 2HB ALA 22 HB2 ALA 22 -5.202 14.100 -6.976 171 3HB ALA 22 HB3 ALA 22 -6.476 13.322 -7.916 172 H ILE 23 HN ILE 23 -6.004 11.024 -4.750 173 HA ILE 23 HA ILE 23 -8.025 9.329 -5.952 174 HB ILE 23 HB ILE 23 -5.972 8.950 -3.774 175 1HG1 ILE 23 HG12 ILE 23 -5.287 7.076 -5.350 176 2HG1 ILE 23 HG11 ILE 23 -6.530 7.638 -6.457 177 1HG2 ILE 23 HG21 ILE 23 -7.530 7.609 -2.717 178 2HG2 ILE 23 HG22 ILE 23 -6.932 6.443 -3.895 179 3HG2 ILE 23 HG23 ILE 23 -8.440 7.307 -4.194 180 1HD1 ILE 23 HD11 ILE 23 -4.353 9.432 -5.399 181 2HD1 ILE 23 HD12 ILE 23 -5.476 9.776 -6.710 182 3HD1 ILE 23 HD13 ILE 23 -4.224 8.552 -6.918 183 H LYS 24 HN LYS 24 -7.631 10.651 -2.564 184 HA LYS 24 HA LYS 24 -10.045 9.849 -1.410 185 1HB LYS 24 HB2 LYS 24 -8.226 12.169 -1.174 186 2HB LYS 24 HB1 LYS 24 -9.869 12.512 -0.662 187 1HG LYS 24 HG2 LYS 24 -8.520 10.002 0.323 188 2HG LYS 24 HG1 LYS 24 -8.094 11.543 1.058 189 1HD LYS 24 HD2 LYS 24 -11.005 10.850 0.724 190 2HD LYS 24 HD1 LYS 24 -10.096 10.113 2.040 191 1HE LYS 24 HE2 LYS 24 -9.662 12.184 3.068 192 2HE LYS 24 HE1 LYS 24 -9.990 13.094 1.594 193 1HZ LYS 24 HZ1 LYS 24 -12.251 12.848 1.837 194 2HZ LYS 24 HZ2 LYS 24 -11.755 13.019 3.453 195 3HZ LYS 24 HZ3 LYS 24 -12.118 11.480 2.831 196 H GLN 25 HN GLN 25 -9.701 12.673 -3.607 197 HA GLN 25 HA GLN 25 -12.233 13.641 -3.560 198 1HB GLN 25 HB2 GLN 25 -10.662 13.024 -6.073 199 2HB GLN 25 HB1 GLN 25 -12.027 14.137 -5.988 200 1HG GLN 25 HG2 GLN 25 -10.781 15.411 -4.208 201 2HG GLN 25 HG1 GLN 25 -9.386 14.380 -4.526 202 1HE2 GLN 25 HE21 GLN 25 -11.697 15.643 -6.956 203 2HE2 GLN 25 HE22 GLN 25 -10.547 16.559 -7.805 204 H GLU 26 HN GLU 26 -11.047 10.805 -5.268 205 HA GLU 26 HA GLU 26 -13.709 9.989 -6.240 206 1HB GLU 26 HB2 GLU 26 -10.887 9.100 -6.693 207 2HB GLU 26 HB1 GLU 26 -12.219 8.048 -7.181 208 1HG GLU 26 HG2 GLU 26 -11.528 9.494 -9.049 209 2HG GLU 26 HG1 GLU 26 -13.162 9.906 -8.526 210 H VAL 27 HN VAL 27 -11.711 9.116 -3.419 211 HA VAL 27 HA VAL 27 -12.674 6.435 -3.273 212 HB VAL 27 HB VAL 27 -12.108 6.341 -0.990 213 1HG1 VAL 27 HG11 VAL 27 -10.132 6.299 -2.217 214 2HG1 VAL 27 HG12 VAL 27 -9.805 7.577 -1.051 215 3HG1 VAL 27 HG13 VAL 27 -10.266 7.985 -2.703 216 1HG2 VAL 27 HG21 VAL 27 -13.019 8.150 0.148 217 2HG2 VAL 27 HG22 VAL 27 -12.458 9.318 -1.033 218 3HG2 VAL 27 HG23 VAL 27 -11.324 8.624 0.118 219 H SER 28 HN SER 28 -13.727 9.595 -2.614 220 HA SER 28 HA SER 28 -16.065 9.225 -1.013 221 1HB SER 28 HB2 SER 28 -15.092 11.487 -1.486 222 2HB SER 28 HB1 SER 28 -15.597 11.332 -3.166 223 HG SER 28 HG SER 28 -17.310 12.301 -2.338 224 H GLN 29 HN GLN 29 -16.018 10.134 -4.446 225 HA GLN 29 HA GLN 29 -18.117 9.531 -5.819 226 1HB GLN 29 HB2 GLN 29 -15.824 9.263 -6.754 227 2HB GLN 29 HB1 GLN 29 -15.886 7.569 -6.274 228 1HG GLN 29 HG2 GLN 29 -17.865 7.208 -7.648 229 2HG GLN 29 HG1 GLN 29 -17.925 8.921 -8.063 230 1HE2 GLN 29 HE21 GLN 29 -17.330 8.990 -10.251 231 2HE2 GLN 29 HE22 GLN 29 -15.933 8.266 -10.888 232 H ALA 30 HN ALA 30 -16.436 6.710 -4.370 233 HA ALA 30 HA ALA 30 -18.847 4.992 -4.700 234 1HB ALA 30 HB1 ALA 30 -16.457 4.230 -5.174 235 2HB ALA 30 HB2 ALA 30 -17.425 3.157 -4.162 236 3HB ALA 30 HB3 ALA 30 -16.216 4.210 -3.426 237 H ALA 31 HN ALA 31 -18.355 3.285 -2.544 238 HA ALA 31 HA ALA 31 -19.756 4.693 -0.394 239 1HB ALA 31 HB1 ALA 31 -19.563 2.036 -1.331 240 2HB ALA 31 HB2 ALA 31 -20.455 2.560 0.091 241 3HB ALA 31 HB3 ALA 31 -18.791 1.988 0.251 242 HA PRO 32 HA PRO 32 -16.285 5.560 2.199 243 1HB PRO 32 HB2 PRO 32 -16.863 4.045 4.573 244 2HB PRO 32 HB1 PRO 32 -17.278 5.733 4.259 245 1HG PRO 32 HG2 PRO 32 -19.060 3.425 4.324 246 2HG PRO 32 HG1 PRO 32 -19.487 5.136 4.162 247 1HD PRO 32 HD2 PRO 32 -19.538 3.120 2.116 248 2HD PRO 32 HD1 PRO 32 -19.911 4.842 1.925 249 H GLY 33 HN GLY 33 -15.724 3.606 0.387 250 1HA GLY 33 HA2 GLY 33 -13.388 2.426 0.809 251 2HA GLY 33 HA1 GLY 33 -14.389 1.353 1.788 252 H SER 34 HN SER 34 -15.428 -0.257 0.774 253 HA SER 34 HA SER 34 -16.248 -1.625 -0.912 254 1HB SER 34 HB2 SER 34 -17.802 -0.462 -2.051 255 2HB SER 34 HB1 SER 34 -17.068 1.019 -1.465 256 HG SER 34 HG SER 34 -16.719 1.311 -3.530 257 HA PRO 35 HA PRO 35 -12.864 -2.632 -3.723 258 1HB PRO 35 HB2 PRO 35 -14.433 -2.760 -6.162 259 2HB PRO 35 HB1 PRO 35 -13.804 -4.103 -5.195 260 1HG PRO 35 HG2 PRO 35 -16.547 -3.255 -5.408 261 2HG PRO 35 HG1 PRO 35 -15.902 -4.548 -4.388 262 1HD PRO 35 HD2 PRO 35 -16.884 -1.961 -3.550 263 2HD PRO 35 HD1 PRO 35 -16.247 -3.262 -2.526 264 H GLN 36 HN GLN 36 -15.200 -0.389 -5.228 265 HA GLN 36 HA GLN 36 -13.780 0.901 -7.150 266 1HB GLN 36 HB2 GLN 36 -15.431 2.147 -4.950 267 2HB GLN 36 HB1 GLN 36 -14.870 3.044 -6.364 268 1HG GLN 36 HG2 GLN 36 -16.413 0.460 -6.636 269 2HG GLN 36 HG1 GLN 36 -17.233 2.015 -6.496 270 1HE2 GLN 36 HE21 GLN 36 -15.359 3.611 -8.005 271 2HE2 GLN 36 HE22 GLN 36 -15.429 3.106 -9.624 272 H PHE 37 HN PHE 37 -13.185 1.327 -3.658 273 HA PHE 37 HA PHE 37 -11.624 3.540 -3.646 274 1HB PHE 37 HB2 PHE 37 -12.254 1.979 -1.739 275 2HB PHE 37 HB1 PHE 37 -10.783 1.079 -2.116 276 HD1 PHE 37 HD1 PHE 37 -12.133 3.924 -0.395 277 HD2 PHE 37 HD2 PHE 37 -8.588 2.427 -2.275 278 HE1 PHE 37 HE1 PHE 37 -10.783 5.596 0.835 279 HE2 PHE 37 HE2 PHE 37 -7.230 4.106 -1.045 280 HZ PHE 37 HZ PHE 37 -8.333 5.689 0.505 281 H MET 38 HN MET 38 -10.744 0.185 -4.158 282 HA MET 38 HA MET 38 -7.977 0.217 -4.701 283 1HB MET 38 HB2 MET 38 -8.260 -1.983 -5.257 284 2HB MET 38 HB1 MET 38 -9.822 -1.722 -4.500 285 1HG MET 38 HG2 MET 38 -10.755 -1.215 -6.804 286 2HG MET 38 HG1 MET 38 -9.208 -1.727 -7.473 287 1HE MET 38 HE1 MET 38 -11.731 -3.176 -8.523 288 2HE MET 38 HE2 MET 38 -11.080 -4.813 -8.487 289 3HE MET 38 HE3 MET 38 -10.029 -3.463 -8.910 290 H GLN 39 HN GLN 39 -10.651 0.592 -6.963 291 HA GLN 39 HA GLN 39 -9.360 0.600 -9.399 292 1HB GLN 39 HB2 GLN 39 -11.802 1.131 -8.916 293 2HB GLN 39 HB1 GLN 39 -11.289 2.794 -8.609 294 1HG GLN 39 HG2 GLN 39 -10.376 2.982 -10.859 295 2HG GLN 39 HG1 GLN 39 -10.731 1.284 -11.177 296 1HE2 GLN 39 HE21 GLN 39 -12.303 1.611 -12.845 297 2HE2 GLN 39 HE22 GLN 39 -13.789 2.382 -12.569 298 H THR 40 HN THR 40 -9.489 3.187 -7.017 299 HA THR 40 HA THR 40 -7.600 4.930 -8.497 300 HB THR 40 HB THR 40 -7.949 5.936 -5.948 301 HG1 THR 40 HG1 THR 40 -10.506 5.180 -6.347 302 1HG2 THR 40 HG21 THR 40 -9.455 6.308 -8.507 303 2HG2 THR 40 HG22 THR 40 -8.545 7.491 -7.570 304 3HG2 THR 40 HG23 THR 40 -10.145 6.986 -7.039 305 H ILE 41 HN ILE 41 -7.289 2.758 -5.650 306 HA ILE 41 HA ILE 41 -4.479 3.645 -5.428 307 HB ILE 41 HB ILE 41 -5.756 1.166 -4.236 308 1HG1 ILE 41 HG12 ILE 41 -6.814 3.438 -3.623 309 2HG1 ILE 41 HG11 ILE 41 -6.298 2.391 -2.305 310 1HG2 ILE 41 HG21 ILE 41 -3.191 2.647 -3.695 311 2HG2 ILE 41 HG22 ILE 41 -3.389 0.959 -4.162 312 3HG2 ILE 41 HG23 ILE 41 -3.880 1.493 -2.556 313 1HD1 ILE 41 HD11 ILE 41 -4.226 4.301 -3.272 314 2HD1 ILE 41 HD12 ILE 41 -4.636 3.813 -1.635 315 3HD1 ILE 41 HD13 ILE 41 -5.613 5.022 -2.464 316 H ARG 42 HN ARG 42 -6.259 1.736 -7.461 317 HA ARG 42 HA ARG 42 -4.274 -0.304 -8.052 318 1HB ARG 42 HB2 ARG 42 -6.667 -0.689 -8.446 319 2HB ARG 42 HB1 ARG 42 -6.679 0.644 -9.604 320 1HG ARG 42 HG2 ARG 42 -5.239 -0.521 -11.108 321 2HG ARG 42 HG1 ARG 42 -4.835 -1.734 -9.894 322 1HD ARG 42 HD2 ARG 42 -7.182 -2.519 -9.909 323 2HD ARG 42 HD1 ARG 42 -7.566 -1.324 -11.148 324 HE ARG 42 HE ARG 42 -5.452 -2.752 -12.234 325 1HH1 ARG 42 HH21 ARG 42 -8.527 -3.479 -10.860 326 2HH1 ARG 42 HH22 ARG 42 -8.773 -4.896 -11.827 327 1HH2 ARG 42 HH11 ARG 42 -5.752 -4.597 -13.503 328 2HH2 ARG 42 HH12 ARG 42 -7.201 -5.528 -13.324 329 H LEU 43 HN LEU 43 -5.318 2.783 -9.502 330 HA LEU 43 HA LEU 43 -3.230 2.515 -11.596 331 1HB LEU 43 HB2 LEU 43 -5.219 4.762 -11.191 332 2HB LEU 43 HB1 LEU 43 -4.295 4.397 -12.647 333 HG LEU 43 HG LEU 43 -6.367 2.552 -11.416 334 1HD1 LEU 43 HD11 LEU 43 -6.507 4.440 -13.782 335 2HD1 LEU 43 HD12 LEU 43 -7.469 4.517 -12.306 336 3HD1 LEU 43 HD13 LEU 43 -7.705 3.191 -13.443 337 1HD2 LEU 43 HD21 LEU 43 -4.627 2.436 -13.888 338 2HD2 LEU 43 HD22 LEU 43 -6.139 1.532 -13.793 339 3HD2 LEU 43 HD23 LEU 43 -4.846 1.208 -12.642 340 H ALA 44 HN ALA 44 -3.671 3.955 -8.495 341 HA ALA 44 HA ALA 44 -1.597 6.050 -9.050 342 1HB ALA 44 HB1 ALA 44 -2.727 5.415 -6.324 343 2HB ALA 44 HB2 ALA 44 -3.684 6.345 -7.477 344 3HB ALA 44 HB3 ALA 44 -2.121 6.955 -6.935 345 H VAL 45 HN VAL 45 -1.879 3.042 -7.149 346 HA VAL 45 HA VAL 45 0.942 3.298 -6.390 347 HB VAL 45 HB VAL 45 -1.107 1.101 -6.008 348 1HG1 VAL 45 HG11 VAL 45 1.842 1.169 -5.332 349 2HG1 VAL 45 HG12 VAL 45 0.963 -0.076 -6.219 350 3HG1 VAL 45 HG13 VAL 45 0.705 0.119 -4.485 351 1HG2 VAL 45 HG21 VAL 45 0.395 2.769 -3.978 352 2HG2 VAL 45 HG22 VAL 45 -1.034 1.772 -3.708 353 3HG2 VAL 45 HG23 VAL 45 -1.160 3.261 -4.648 354 H GLN 46 HN GLN 46 -0.923 1.776 -8.980 355 HA GLN 46 HA GLN 46 1.328 0.069 -9.773 356 1HB GLN 46 HB2 GLN 46 -1.092 -0.523 -10.172 357 2HB GLN 46 HB1 GLN 46 -1.144 0.773 -11.369 358 1HG GLN 46 HG2 GLN 46 0.600 -0.288 -12.677 359 2HG GLN 46 HG1 GLN 46 0.830 -1.523 -11.439 360 1HE2 GLN 46 HE21 GLN 46 -2.258 -0.212 -12.735 361 2HE2 GLN 46 HE22 GLN 46 -2.828 -1.706 -13.305 362 H GLN 47 HN GLN 47 0.237 3.326 -10.429 363 HA GLN 47 HA GLN 47 1.738 3.490 -12.942 364 1HB GLN 47 HB2 GLN 47 0.184 5.511 -11.342 365 2HB GLN 47 HB1 GLN 47 1.082 5.942 -12.794 366 1HG GLN 47 HG2 GLN 47 -0.918 3.676 -12.796 367 2HG GLN 47 HG1 GLN 47 -1.404 5.342 -13.111 368 1HE2 GLN 47 HE21 GLN 47 0.152 2.541 -14.484 369 2HE2 GLN 47 HE22 GLN 47 0.518 3.231 -15.991 370 H PHE 48 HN PHE 48 1.844 5.495 -9.987 371 HA PHE 48 HA PHE 48 4.623 6.252 -10.587 372 1HB PHE 48 HB2 PHE 48 2.838 7.007 -8.256 373 2HB PHE 48 HB1 PHE 48 4.379 7.759 -8.667 374 HD1 PHE 48 HD1 PHE 48 4.573 9.314 -10.503 375 HD2 PHE 48 HD2 PHE 48 0.870 7.270 -9.749 376 HE1 PHE 48 HE1 PHE 48 3.410 10.842 -12.072 377 HE2 PHE 48 HE2 PHE 48 -0.292 8.798 -11.319 378 HZ PHE 48 HZ PHE 48 0.977 10.584 -12.480 379 H ASP 49 HN ASP 49 3.290 3.593 -9.107 380 HA ASP 49 HA ASP 49 3.970 2.321 -7.142 381 1HB ASP 49 HB2 ASP 49 6.403 2.478 -8.931 382 2HB ASP 49 HB1 ASP 49 6.082 1.218 -7.742 383 HA PRO 50 HA PRO 50 6.444 5.812 -5.198 384 1HB PRO 50 HB2 PRO 50 4.739 5.417 -2.864 385 2HB PRO 50 HB1 PRO 50 4.937 6.876 -3.841 386 1HG PRO 50 HG2 PRO 50 2.657 5.151 -3.806 387 2HG PRO 50 HG1 PRO 50 2.950 6.490 -4.925 388 1HD PRO 50 HD2 PRO 50 3.063 3.626 -5.473 389 2HD PRO 50 HD1 PRO 50 3.211 4.969 -6.624 390 H THR 51 HN THR 51 7.688 5.571 -3.080 391 HA THR 51 HA THR 51 8.659 2.820 -2.848 392 HB THR 51 HB THR 51 10.276 3.767 -1.249 393 HG1 THR 51 HG1 THR 51 10.083 5.830 -0.563 394 1HG2 THR 51 HG21 THR 51 11.187 5.599 -2.803 395 2HG2 THR 51 HG22 THR 51 9.778 5.281 -3.814 396 3HG2 THR 51 HG23 THR 51 10.952 4.000 -3.508 397 H ALA 52 HN ALA 52 9.105 2.217 -0.307 398 HA ALA 52 HA ALA 52 6.493 1.665 0.751 399 1HB ALA 52 HB1 ALA 52 7.825 0.871 2.780 400 2HB ALA 52 HB2 ALA 52 9.273 1.358 1.896 401 3HB ALA 52 HB3 ALA 52 8.225 0.096 1.248 402 H LYS 53 HN LYS 53 8.661 4.307 1.050 403 HA LYS 53 HA LYS 53 7.985 5.297 3.634 404 1HB LYS 53 HB2 LYS 53 8.672 6.830 1.107 405 2HB LYS 53 HB1 LYS 53 8.679 7.503 2.738 406 1HG LYS 53 HG2 LYS 53 10.347 5.734 3.384 407 2HG LYS 53 HG1 LYS 53 10.431 5.267 1.686 408 1HD LYS 53 HD2 LYS 53 11.295 7.407 1.046 409 2HD LYS 53 HD1 LYS 53 10.944 8.095 2.632 410 1HE LYS 53 HE2 LYS 53 12.619 6.699 3.680 411 2HE LYS 53 HE1 LYS 53 12.880 5.809 2.180 412 1HZ LYS 53 HZ1 LYS 53 13.231 8.729 2.226 413 2HZ LYS 53 HZ2 LYS 53 13.951 7.576 1.207 414 3HZ LYS 53 HZ3 LYS 53 14.467 7.730 2.819 415 H ASP 54 HN ASP 54 6.417 5.717 0.451 416 HA ASP 54 HA ASP 54 4.298 7.408 1.549 417 1HB ASP 54 HB2 ASP 54 5.237 6.800 -1.033 418 2HB ASP 54 HB1 ASP 54 3.669 6.002 -0.956 419 H LEU 55 HN LEU 55 5.028 4.146 1.897 420 HA LEU 55 HA LEU 55 2.243 3.204 1.806 421 1HB LEU 55 HB2 LEU 55 4.296 1.711 1.453 422 2HB LEU 55 HB1 LEU 55 4.602 1.861 3.178 423 HG LEU 55 HG LEU 55 1.824 1.037 2.410 424 1HD1 LEU 55 HD11 LEU 55 4.249 -0.728 2.016 425 2HD1 LEU 55 HD12 LEU 55 2.980 -0.358 0.848 426 3HD1 LEU 55 HD13 LEU 55 2.623 -1.369 2.248 427 1HD2 LEU 55 HD21 LEU 55 2.818 1.265 4.785 428 2HD2 LEU 55 HD22 LEU 55 3.706 -0.213 4.424 429 3HD2 LEU 55 HD23 LEU 55 1.943 -0.221 4.423 430 H GLN 56 HN GLN 56 4.441 4.786 3.904 431 HA GLN 56 HA GLN 56 2.943 4.247 6.369 432 1HB GLN 56 HB2 GLN 56 5.124 6.266 5.750 433 2HB GLN 56 HB1 GLN 56 4.485 5.923 7.357 434 1HG GLN 56 HG2 GLN 56 5.200 3.557 7.117 435 2HG GLN 56 HG1 GLN 56 5.893 3.944 5.541 436 1HE2 GLN 56 HE21 GLN 56 6.965 6.553 6.244 437 2HE2 GLN 56 HE22 GLN 56 8.246 6.303 7.329 438 H ASP 57 HN ASP 57 3.170 6.721 3.868 439 HA ASP 57 HA ASP 57 1.313 8.538 5.298 440 1HB ASP 57 HB2 ASP 57 3.222 9.279 3.733 441 2HB ASP 57 HB1 ASP 57 2.181 8.766 2.412 442 H LEU 58 HN LEU 58 1.051 5.909 3.060 443 HA LEU 58 HA LEU 58 -1.703 6.764 2.284 444 1HB LEU 58 HB2 LEU 58 -0.064 4.311 1.534 445 2HB LEU 58 HB1 LEU 58 -1.684 4.650 0.931 446 HG LEU 58 HG LEU 58 0.508 6.701 0.588 447 1HD1 LEU 58 HD11 LEU 58 1.093 5.724 -1.570 448 2HD1 LEU 58 HD12 LEU 58 -0.072 4.422 -1.329 449 3HD1 LEU 58 HD13 LEU 58 1.359 4.524 -0.305 450 1HD2 LEU 58 HD21 LEU 58 -0.856 7.234 -1.438 451 2HD2 LEU 58 HD22 LEU 58 -1.773 7.397 0.056 452 3HD2 LEU 58 HD23 LEU 58 -1.997 5.978 -0.967 453 H LEU 59 HN LEU 59 -0.042 4.797 4.569 454 HA LEU 59 HA LEU 59 -2.536 3.343 5.300 455 1HB LEU 59 HB2 LEU 59 -0.192 2.262 5.281 456 2HB LEU 59 HB1 LEU 59 0.137 3.234 6.710 457 HG LEU 59 HG LEU 59 -1.980 2.238 7.730 458 1HD1 LEU 59 HD11 LEU 59 -3.203 1.252 5.997 459 2HD1 LEU 59 HD12 LEU 59 -2.385 -0.151 6.672 460 3HD1 LEU 59 HD13 LEU 59 -1.768 0.603 5.205 461 1HD2 LEU 59 HD21 LEU 59 0.227 1.525 8.453 462 2HD2 LEU 59 HD22 LEU 59 0.386 0.465 7.053 463 3HD2 LEU 59 HD23 LEU 59 -0.798 0.097 8.307 464 H GLN 60 HN GLN 60 -0.623 6.090 6.238 465 HA GLN 60 HA GLN 60 -2.024 6.296 8.849 466 1HB GLN 60 HB2 GLN 60 0.174 7.918 7.565 467 2HB GLN 60 HB1 GLN 60 -0.524 8.279 9.143 468 1HG GLN 60 HG2 GLN 60 0.199 6.186 10.054 469 2HG GLN 60 HG1 GLN 60 0.629 5.565 8.461 470 1HE2 GLN 60 HE21 GLN 60 1.375 8.865 9.595 471 2HE2 GLN 60 HE22 GLN 60 3.059 8.659 9.604 472 H TYR 61 HN TYR 61 -2.205 7.582 5.620 473 HA TYR 61 HA TYR 61 -3.897 9.879 6.539 474 1HB TYR 61 HB2 TYR 61 -1.865 10.260 5.035 475 2HB TYR 61 HB1 TYR 61 -2.782 9.449 3.764 476 HD1 TYR 61 HD1 TYR 61 -3.031 12.240 6.248 477 HD2 TYR 61 HD2 TYR 61 -4.334 10.661 2.472 478 HE1 TYR 61 HE1 TYR 61 -4.256 14.346 5.789 479 HE2 TYR 61 HE2 TYR 61 -5.559 12.767 2.014 480 HH TYR 61 HH TYR 61 -6.604 14.655 3.548 481 H LEU 62 HN LEU 62 -3.838 7.314 4.007 482 HA LEU 62 HA LEU 62 -6.658 7.873 3.380 483 1HB LEU 62 HB2 LEU 62 -4.850 5.616 2.470 484 2HB LEU 62 HB1 LEU 62 -6.459 5.934 1.845 485 HG LEU 62 HG LEU 62 -4.129 7.870 1.715 486 1HD1 LEU 62 HD11 LEU 62 -3.957 5.798 0.281 487 2HD1 LEU 62 HD12 LEU 62 -4.006 7.308 -0.631 488 3HD1 LEU 62 HD13 LEU 62 -5.448 6.300 -0.515 489 1HD2 LEU 62 HD21 LEU 62 -7.031 8.016 0.907 490 2HD2 LEU 62 HD22 LEU 62 -5.832 8.873 -0.061 491 3HD2 LEU 62 HD23 LEU 62 -6.017 9.254 1.647 492 H CYS 63 HN CYS 63 -4.914 5.656 5.439 493 HA CYS 63 HA CYS 63 -7.477 4.225 6.021 494 1HB CYS 63 HB2 CYS 63 -4.609 3.493 6.647 495 2HB CYS 63 HB1 CYS 63 -6.007 2.563 7.168 496 HG CYS 63 HG CYS 63 -5.538 1.461 4.950 497 H SER 64 HN SER 64 -6.183 3.457 8.684 498 HA SER 64 HA SER 64 -5.790 5.898 10.185 499 1HB SER 64 HB2 SER 64 -8.096 6.329 9.960 500 2HB SER 64 HB1 SER 64 -8.521 4.626 10.100 501 HG SER 64 HG SER 64 -7.969 6.510 12.050 502 H SER 65 HN SER 65 -6.038 5.323 12.640 503 HA SER 65 HA SER 65 -4.269 3.408 13.456 504 1HB SER 65 HB2 SER 65 -5.421 3.345 15.622 505 2HB SER 65 HB1 SER 65 -5.402 4.988 14.989 506 HG SER 65 HG SER 65 -7.519 4.758 14.375 507 H LEU 66 HN LEU 66 -7.735 2.588 13.934 508 HA LEU 66 HA LEU 66 -7.355 -0.167 14.095 509 1HB LEU 66 HB2 LEU 66 -9.479 0.859 14.665 510 2HB LEU 66 HB1 LEU 66 -9.709 1.406 13.007 511 HG LEU 66 HG LEU 66 -9.926 -0.888 12.223 512 1HD1 LEU 66 HD11 LEU 66 -9.093 -1.544 15.051 513 2HD1 LEU 66 HD12 LEU 66 -8.427 -2.152 13.536 514 3HD1 LEU 66 HD13 LEU 66 -10.006 -2.705 14.086 515 1HD2 LEU 66 HD21 LEU 66 -11.545 -0.303 14.719 516 2HD2 LEU 66 HD22 LEU 66 -11.938 -1.580 13.567 517 3HD2 LEU 66 HD23 LEU 66 -11.971 0.108 13.057 518 H VAL 67 HN VAL 67 -8.815 1.317 11.194 519 HA VAL 67 HA VAL 67 -8.723 -0.681 9.447 520 HB VAL 67 HB VAL 67 -7.757 2.099 8.761 521 1HG1 VAL 67 HG11 VAL 67 -8.834 -0.144 7.035 522 2HG1 VAL 67 HG12 VAL 67 -7.228 0.576 6.941 523 3HG1 VAL 67 HG13 VAL 67 -8.645 1.521 6.487 524 1HG2 VAL 67 HG21 VAL 67 -9.940 2.097 9.850 525 2HG2 VAL 67 HG22 VAL 67 -10.498 0.809 8.782 526 3HG2 VAL 67 HG23 VAL 67 -10.153 2.410 8.127 527 H ALA 68 HN ALA 68 -5.772 1.279 10.153 528 HA ALA 68 HA ALA 68 -3.924 0.054 8.426 529 1HB ALA 68 HB1 ALA 68 -3.465 0.814 11.330 530 2HB ALA 68 HB2 ALA 68 -3.358 1.923 9.963 531 3HB ALA 68 HB3 ALA 68 -2.213 0.591 10.109 532 H SER 69 HN SER 69 -5.149 -1.056 11.558 533 HA SER 69 HA SER 69 -3.653 -3.432 11.971 534 1HB SER 69 HB2 SER 69 -5.390 -2.358 13.458 535 2HB SER 69 HB1 SER 69 -6.608 -3.135 12.465 536 HG SER 69 HG SER 69 -5.230 -5.100 12.872 537 H LEU 70 HN LEU 70 -6.954 -3.263 10.756 538 HA LEU 70 HA LEU 70 -7.537 -5.632 9.667 539 1HB LEU 70 HB2 LEU 70 -8.164 -2.857 8.774 540 2HB LEU 70 HB1 LEU 70 -8.798 -4.223 7.875 541 HG LEU 70 HG LEU 70 -10.356 -3.375 9.629 542 1HD1 LEU 70 HD11 LEU 70 -11.172 -5.467 10.123 543 2HD1 LEU 70 HD12 LEU 70 -9.599 -6.113 10.583 544 3HD1 LEU 70 HD13 LEU 70 -10.014 -5.926 8.879 545 1HD2 LEU 70 HD21 LEU 70 -9.865 -3.711 11.976 546 2HD2 LEU 70 HD22 LEU 70 -8.571 -2.750 11.267 547 3HD2 LEU 70 HD23 LEU 70 -8.321 -4.467 11.591 548 H HIS 71 HN HIS 71 -6.403 -3.023 7.523 549 HA HIS 71 HA HIS 71 -6.312 -4.521 5.354 550 1HB HIS 71 HB2 HIS 71 -6.086 -2.249 4.827 551 2HB HIS 71 HB1 HIS 71 -4.869 -1.998 6.062 552 HD1 HIS 71 HD1 HIS 71 -2.396 -2.574 5.444 553 HD2 HIS 71 HD2 HIS 71 -5.067 -2.920 2.268 554 HE1 HIS 71 HE1 HIS 71 -0.993 -2.738 3.347 555 H HIS 72 HN HIS 72 -3.303 -3.627 7.107 556 HA HIS 72 HA HIS 72 -1.714 -5.421 5.570 557 1HB HIS 72 HB2 HIS 72 -0.745 -3.487 6.884 558 2HB HIS 72 HB1 HIS 72 -1.045 -4.399 8.364 559 HD1 HIS 72 HD1 HIS 72 1.000 -4.555 5.177 560 HD2 HIS 72 HD2 HIS 72 0.852 -6.386 8.919 561 HE1 HIS 72 HE1 HIS 72 3.077 -5.993 5.354 562 H GLN 73 HN GLN 73 -3.933 -5.948 8.052 563 HA GLN 73 HA GLN 73 -2.916 -8.260 9.353 564 1HB GLN 73 HB2 GLN 73 -5.265 -7.053 9.613 565 2HB GLN 73 HB1 GLN 73 -5.783 -8.207 8.386 566 1HG GLN 73 HG2 GLN 73 -4.437 -8.953 11.000 567 2HG GLN 73 HG1 GLN 73 -6.171 -9.056 10.690 568 1HE2 GLN 73 HE21 GLN 73 -3.203 -10.760 10.397 569 2HE2 GLN 73 HE22 GLN 73 -3.763 -12.024 9.412 570 H GLN 74 HN GLN 74 -4.969 -8.111 6.423 571 HA GLN 74 HA GLN 74 -4.720 -10.711 5.577 572 1HB GLN 74 HB2 GLN 74 -4.734 -8.159 3.952 573 2HB GLN 74 HB1 GLN 74 -4.798 -9.747 3.187 574 1HG GLN 74 HG2 GLN 74 -6.801 -10.303 4.543 575 2HG GLN 74 HG1 GLN 74 -6.750 -8.693 5.259 576 1HE2 GLN 74 HE21 GLN 74 -7.797 -10.510 2.490 577 2HE2 GLN 74 HE22 GLN 74 -8.384 -9.197 1.589 578 H LEU 75 HN LEU 75 -2.741 -8.087 4.047 579 HA LEU 75 HA LEU 75 -0.523 -9.390 2.991 580 1HB LEU 75 HB2 LEU 75 -1.172 -6.804 3.450 581 2HB LEU 75 HB1 LEU 75 0.076 -7.017 4.670 582 HG LEU 75 HG LEU 75 1.079 -6.202 2.579 583 1HD1 LEU 75 HD11 LEU 75 2.853 -7.763 2.430 584 2HD1 LEU 75 HD12 LEU 75 1.798 -9.127 2.796 585 3HD1 LEU 75 HD13 LEU 75 2.215 -7.971 4.061 586 1HD2 LEU 75 HD21 LEU 75 -0.834 -7.546 1.222 587 2HD2 LEU 75 HD22 LEU 75 0.484 -8.708 1.059 588 3HD2 LEU 75 HD23 LEU 75 0.691 -7.057 0.492 589 H ASP 76 HN ASP 76 -0.447 -8.267 6.384 590 HA ASP 76 HA ASP 76 1.788 -9.126 7.522 591 1HB ASP 76 HB2 ASP 76 -0.285 -8.591 8.761 592 2HB ASP 76 HB1 ASP 76 -0.801 -10.255 8.543 593 H SER 77 HN SER 77 -0.768 -11.562 7.403 594 HA SER 77 HA SER 77 1.068 -13.796 7.413 595 1HB SER 77 HB2 SER 77 -1.932 -13.540 7.121 596 2HB SER 77 HB1 SER 77 -1.083 -15.090 7.167 597 HG SER 77 HG SER 77 -1.821 -13.534 9.199 598 H LEU 78 HN LEU 78 -0.849 -12.094 4.937 599 HA LEU 78 HA LEU 78 -0.905 -14.071 3.009 600 1HB LEU 78 HB2 LEU 78 -1.559 -11.417 3.006 601 2HB LEU 78 HB1 LEU 78 -0.150 -11.380 1.948 602 HG LEU 78 HG LEU 78 -2.439 -13.311 1.599 603 1HD1 LEU 78 HD11 LEU 78 -3.329 -11.818 -0.105 604 2HD1 LEU 78 HD12 LEU 78 -1.974 -10.709 0.098 605 3HD1 LEU 78 HD13 LEU 78 -3.162 -10.895 1.388 606 1HD2 LEU 78 HD21 LEU 78 -1.468 -13.414 -0.725 607 2HD2 LEU 78 HD22 LEU 78 -0.384 -14.014 0.530 608 3HD2 LEU 78 HD23 LEU 78 -0.136 -12.407 -0.156 609 H ILE 79 HN ILE 79 1.763 -11.704 3.642 610 HA ILE 79 HA ILE 79 3.619 -12.733 1.785 611 HB ILE 79 HB ILE 79 3.548 -10.744 3.748 612 1HG1 ILE 79 HG12 ILE 79 5.897 -10.258 3.046 613 2HG1 ILE 79 HG11 ILE 79 5.968 -11.832 2.262 614 1HG2 ILE 79 HG21 ILE 79 5.533 -11.137 5.185 615 2HG2 ILE 79 HG22 ILE 79 5.585 -12.811 4.655 616 3HG2 ILE 79 HG23 ILE 79 4.199 -12.213 5.571 617 1HD1 ILE 79 HD11 ILE 79 4.711 -11.145 0.484 618 2HD1 ILE 79 HD12 ILE 79 5.223 -9.538 0.991 619 3HD1 ILE 79 HD13 ILE 79 3.645 -10.150 1.480 620 H SER 80 HN SER 80 3.173 -13.593 5.250 621 HA SER 80 HA SER 80 4.983 -15.704 5.368 622 1HB SER 80 HB2 SER 80 2.202 -15.817 6.563 623 2HB SER 80 HB1 SER 80 3.639 -16.657 7.139 624 HG SER 80 HG SER 80 4.226 -14.898 8.125 625 H GLU 81 HN GLU 81 1.532 -16.004 4.354 626 HA GLU 81 HA GLU 81 1.937 -18.764 3.574 627 1HB GLU 81 HB2 GLU 81 -0.255 -17.845 4.304 628 2HB GLU 81 HB1 GLU 81 -0.307 -16.872 2.833 629 1HG GLU 81 HG2 GLU 81 -0.257 -18.889 1.453 630 2HG GLU 81 HG1 GLU 81 -0.098 -19.896 2.892 631 H ALA 82 HN ALA 82 2.170 -15.664 1.833 632 HA ALA 82 HA ALA 82 1.884 -16.967 -0.662 633 1HB ALA 82 HB1 ALA 82 3.004 -14.752 -1.577 634 2HB ALA 82 HB2 ALA 82 2.863 -14.224 0.101 635 3HB ALA 82 HB3 ALA 82 1.419 -14.674 -0.804 636 H GLU 83 HN GLU 83 4.654 -15.810 1.265 637 HA GLU 83 HA GLU 83 6.678 -16.311 -0.575 638 1HB GLU 83 HB2 GLU 83 6.596 -16.269 2.432 639 2HB GLU 83 HB1 GLU 83 8.075 -16.824 1.650 640 1HG GLU 83 HG2 GLU 83 6.775 -14.226 0.821 641 2HG GLU 83 HG1 GLU 83 7.853 -14.291 2.214 642 H THR 84 HN THR 84 4.958 -18.423 1.613 643 HA THR 84 HA THR 84 6.513 -20.777 1.358 644 HB THR 84 HB THR 84 3.676 -21.405 1.404 645 HG1 THR 84 HG1 THR 84 3.750 -19.882 3.496 646 1HG2 THR 84 HG21 THR 84 5.621 -22.520 2.644 647 2HG2 THR 84 HG22 THR 84 4.155 -22.248 3.586 648 3HG2 THR 84 HG23 THR 84 5.537 -21.170 3.777 649 H ARG 85 HN ARG 85 3.802 -19.576 -0.661 650 HA ARG 85 HA ARG 85 3.390 -21.596 -2.437 651 1HB ARG 85 HB2 ARG 85 2.204 -19.551 -2.750 652 2HB ARG 85 HB1 ARG 85 3.676 -18.658 -3.082 653 1HG ARG 85 HG2 ARG 85 2.903 -20.996 -4.823 654 2HG ARG 85 HG1 ARG 85 2.159 -19.424 -5.084 655 1HD ARG 85 HD2 ARG 85 4.889 -18.801 -4.936 656 2HD ARG 85 HD1 ARG 85 4.880 -20.333 -5.791 657 HE ARG 85 HE ARG 85 4.247 -17.862 -6.957 658 1HH1 ARG 85 HH21 ARG 85 2.724 -20.934 -6.541 659 2HH1 ARG 85 HH22 ARG 85 1.685 -20.744 -7.911 660 1HH2 ARG 85 HH11 ARG 85 2.910 -17.615 -8.746 661 2HH2 ARG 85 HH12 ARG 85 1.792 -18.873 -9.159 662 H GLY 86 HN GLY 86 6.332 -19.543 -2.413 663 1HA GLY 86 HA2 GLY 86 8.419 -20.607 -3.159 664 2HA GLY 86 HA1 GLY 86 7.515 -21.431 -4.424 665 H ILE 87 HN ILE 87 7.967 -18.026 -3.339 666 HA ILE 87 HA ILE 87 7.527 -16.849 -5.903 667 HB ILE 87 HB ILE 87 9.508 -15.671 -3.954 668 1HG1 ILE 87 HG12 ILE 87 7.813 -16.513 -2.495 669 2HG1 ILE 87 HG11 ILE 87 7.544 -14.781 -2.667 670 1HG2 ILE 87 HG21 ILE 87 8.988 -13.686 -4.957 671 2HG2 ILE 87 HG22 ILE 87 7.262 -14.042 -5.013 672 3HG2 ILE 87 HG23 ILE 87 8.330 -14.676 -6.259 673 1HD1 ILE 87 HD11 ILE 87 5.930 -15.474 -4.608 674 2HD1 ILE 87 HD12 ILE 87 5.384 -15.654 -2.941 675 3HD1 ILE 87 HD13 ILE 87 5.960 -17.057 -3.834 676 H THR 88 HN THR 88 9.923 -15.288 -6.068 677 HA THR 88 HA THR 88 11.515 -16.921 -7.861 678 HB THR 88 HB THR 88 12.357 -14.286 -6.614 679 HG1 THR 88 HG1 THR 88 11.103 -14.407 -9.094 680 1HG2 THR 88 HG21 THR 88 13.004 -15.654 -9.240 681 2HG2 THR 88 HG22 THR 88 14.098 -15.454 -7.871 682 3HG2 THR 88 HG23 THR 88 13.556 -14.043 -8.780 683 H SER 89 HN SER 89 11.508 -18.469 -5.780 684 HA SER 89 HA SER 89 12.706 -19.431 -4.010 685 1HB SER 89 HB2 SER 89 15.088 -18.366 -5.559 686 2HB SER 89 HB1 SER 89 15.066 -19.758 -4.480 687 HG SER 89 HG SER 89 14.836 -20.576 -6.502 688 H TYR 90 HN TYR 90 12.107 -16.433 -3.994 689 HA TYR 90 HA TYR 90 12.558 -14.545 -2.737 690 1HB TYR 90 HB2 TYR 90 12.987 -15.152 -0.270 691 2HB TYR 90 HB1 TYR 90 11.503 -15.738 -1.025 692 HD1 TYR 90 HD1 TYR 90 14.815 -16.672 0.274 693 HD2 TYR 90 HD2 TYR 90 11.234 -18.096 -1.622 694 HE1 TYR 90 HE1 TYR 90 15.468 -19.007 0.795 695 HE2 TYR 90 HE2 TYR 90 11.887 -20.432 -1.102 696 HH TYR 90 HH TYR 90 15.005 -21.168 0.434 697 H ASN 91 HN ASN 91 14.133 -13.062 -2.491 698 HA ASN 91 HA ASN 91 16.928 -13.990 -1.902 699 1HB ASN 91 HB2 ASN 91 16.932 -11.796 -3.825 700 2HB ASN 91 HB1 ASN 91 17.779 -13.332 -3.855 701 1HD2 ASN 91 HD21 ASN 91 16.082 -15.292 -4.257 702 2HD2 ASN 91 HD22 ASN 91 15.019 -15.021 -5.552 703 HA PRO 92 HA PRO 92 16.627 -9.491 -0.454 704 1HB PRO 92 HB2 PRO 92 14.622 -7.849 -1.402 705 2HB PRO 92 HB1 PRO 92 16.102 -8.192 -2.312 706 1HG PRO 92 HG2 PRO 92 13.362 -9.065 -2.913 707 2HG PRO 92 HG1 PRO 92 14.803 -9.189 -3.930 708 1HD PRO 92 HD2 PRO 92 13.565 -11.258 -2.224 709 2HD PRO 92 HD1 PRO 92 14.772 -11.448 -3.492 710 H LEU 93 HN LEU 93 13.359 -10.901 -0.469 711 HA LEU 93 HA LEU 93 12.237 -9.242 1.520 712 1HB LEU 93 HB2 LEU 93 11.699 -12.189 1.723 713 2HB LEU 93 HB1 LEU 93 10.576 -10.833 1.814 714 HG LEU 93 HG LEU 93 11.458 -10.524 -0.759 715 1HD1 LEU 93 HD11 LEU 93 11.322 -13.515 -0.356 716 2HD1 LEU 93 HD12 LEU 93 12.845 -12.630 -0.450 717 3HD1 LEU 93 HD13 LEU 93 11.739 -12.641 -1.824 718 1HD2 LEU 93 HD21 LEU 93 9.173 -12.132 0.384 719 2HD2 LEU 93 HD22 LEU 93 9.383 -11.988 -1.362 720 3HD2 LEU 93 HD23 LEU 93 9.137 -10.543 -0.381 721 H ALA 94 HN ALA 94 13.933 -12.254 1.927 722 HA ALA 94 HA ALA 94 14.457 -13.057 4.312 723 1HB ALA 94 HB1 ALA 94 16.865 -11.649 3.171 724 2HB ALA 94 HB2 ALA 94 16.159 -13.051 2.366 725 3HB ALA 94 HB3 ALA 94 16.785 -13.200 4.010 726 H GLY 95 HN GLY 95 15.764 -9.838 3.565 727 1HA GLY 95 HA2 GLY 95 16.220 -9.078 6.319 728 2HA GLY 95 HA1 GLY 95 16.158 -7.975 4.938 729 HA PRO 96 HA PRO 96 12.352 -7.366 7.386 730 1HB PRO 96 HB2 PRO 96 12.448 -4.493 7.027 731 2HB PRO 96 HB1 PRO 96 12.773 -5.396 8.514 732 1HG PRO 96 HG2 PRO 96 14.701 -4.072 6.782 733 2HG PRO 96 HG1 PRO 96 15.008 -4.908 8.309 734 1HD PRO 96 HD2 PRO 96 15.611 -5.842 5.621 735 2HD PRO 96 HD1 PRO 96 15.969 -6.647 7.158 736 H LEU 97 HN LEU 97 10.162 -6.033 6.354 737 HA LEU 97 HA LEU 97 10.192 -6.711 3.528 738 1HB LEU 97 HB2 LEU 97 8.135 -5.471 5.372 739 2HB LEU 97 HB1 LEU 97 7.851 -5.587 3.635 740 HG LEU 97 HG LEU 97 8.086 -7.999 3.696 741 1HD1 LEU 97 HD11 LEU 97 9.797 -8.372 5.299 742 2HD1 LEU 97 HD12 LEU 97 8.353 -9.073 6.027 743 3HD1 LEU 97 HD13 LEU 97 8.928 -7.491 6.555 744 1HD2 LEU 97 HD21 LEU 97 6.181 -8.575 5.150 745 2HD2 LEU 97 HD22 LEU 97 5.878 -7.055 4.309 746 3HD2 LEU 97 HD23 LEU 97 6.361 -7.043 6.005 747 H ARG 98 HN ARG 98 9.608 -3.601 5.232 748 HA ARG 98 HA ARG 98 9.552 -1.778 3.233 749 1HB ARG 98 HB2 ARG 98 10.299 -1.739 5.968 750 2HB ARG 98 HB1 ARG 98 11.575 -0.853 5.144 751 1HG ARG 98 HG2 ARG 98 9.781 0.506 4.006 752 2HG ARG 98 HG1 ARG 98 8.599 -0.295 5.041 753 1HD ARG 98 HD2 ARG 98 9.325 1.894 5.973 754 2HD ARG 98 HD1 ARG 98 9.739 0.550 7.039 755 HE ARG 98 HE ARG 98 12.004 0.873 5.480 756 1HH1 ARG 98 HH21 ARG 98 10.006 2.892 7.434 757 2HH1 ARG 98 HH22 ARG 98 11.296 3.954 7.890 758 1HH2 ARG 98 HH11 ARG 98 13.700 2.248 6.064 759 2HH2 ARG 98 HH12 ARG 98 13.388 3.589 7.115 760 H VAL 99 HN VAL 99 12.141 -3.828 3.967 761 HA VAL 99 HA VAL 99 14.198 -2.438 2.330 762 HB VAL 99 HB VAL 99 14.138 -4.828 4.161 763 1HG1 VAL 99 HG11 VAL 99 16.507 -5.364 3.342 764 2HG1 VAL 99 HG12 VAL 99 16.130 -4.414 1.904 765 3HG1 VAL 99 HG13 VAL 99 15.199 -5.867 2.269 766 1HG2 VAL 99 HG21 VAL 99 16.195 -3.708 5.015 767 2HG2 VAL 99 HG22 VAL 99 14.824 -2.602 4.981 768 3HG2 VAL 99 HG23 VAL 99 16.064 -2.509 3.733 769 H GLN 100 HN GLN 100 12.176 -5.359 2.169 770 HA GLN 100 HA GLN 100 13.204 -6.505 -0.148 771 1HB GLN 100 HB2 GLN 100 11.252 -7.759 -0.291 772 2HB GLN 100 HB1 GLN 100 11.166 -7.210 1.380 773 1HG GLN 100 HG2 GLN 100 9.707 -5.303 0.590 774 2HG GLN 100 HG1 GLN 100 9.681 -6.060 -1.000 775 1HE2 GLN 100 HE21 GLN 100 9.854 -8.754 0.666 776 2HE2 GLN 100 HE22 GLN 100 8.228 -9.029 1.069 777 H ALA 101 HN ALA 101 10.620 -3.983 -0.076 778 HA ALA 101 HA ALA 101 10.940 -3.706 -2.996 779 1HB ALA 101 HB1 ALA 101 9.036 -2.537 -0.952 780 2HB ALA 101 HB2 ALA 101 8.660 -3.618 -2.294 781 3HB ALA 101 HB3 ALA 101 9.077 -1.935 -2.608 782 H ASN 102 HN ASN 102 11.704 -1.753 -0.133 783 HA ASN 102 HA ASN 102 12.427 0.576 -1.694 784 1HB ASN 102 HB2 ASN 102 12.002 0.538 0.822 785 2HB ASN 102 HB1 ASN 102 13.601 -0.191 0.993 786 1HD2 ASN 102 HD21 ASN 102 14.964 1.466 1.704 787 2HD2 ASN 102 HD22 ASN 102 15.051 3.011 1.005 788 H ASN 103 HN ASN 103 13.444 -1.731 -2.930 789 HA ASN 103 HA ASN 103 16.408 -1.436 -2.583 790 1HB ASN 103 HB2 ASN 103 16.567 -3.785 -3.322 791 2HB ASN 103 HB1 ASN 103 15.598 -3.639 -1.854 792 1HD2 ASN 103 HD21 ASN 103 15.119 -5.915 -3.309 793 2HD2 ASN 103 HD22 ASN 103 13.650 -5.801 -4.153 794 HA PRO 104 HA PRO 104 15.112 0.097 -6.792 795 1HB PRO 104 HB2 PRO 104 17.759 1.389 -6.797 796 2HB PRO 104 HB1 PRO 104 16.159 2.130 -6.950 797 1HG PRO 104 HG2 PRO 104 17.818 2.280 -4.670 798 2HG PRO 104 HG1 PRO 104 16.094 2.678 -4.718 799 1HD PRO 104 HD2 PRO 104 17.404 0.351 -3.498 800 2HD PRO 104 HD1 PRO 104 15.725 0.901 -3.304 801 H GLN 105 HN GLN 105 18.077 -1.461 -5.649 802 HA GLN 105 HA GLN 105 19.039 -2.170 -8.281 803 1HB GLN 105 HB2 GLN 105 19.567 -3.553 -5.630 804 2HB GLN 105 HB1 GLN 105 20.531 -3.710 -7.100 805 1HG GLN 105 HG2 GLN 105 20.071 -1.099 -5.628 806 2HG GLN 105 HG1 GLN 105 21.516 -2.097 -5.460 807 1HE2 GLN 105 HE21 GLN 105 22.043 -2.871 -8.082 808 2HE2 GLN 105 HE22 GLN 105 22.332 -1.505 -9.048 809 H GLN 106 HN GLN 106 16.554 -3.395 -6.229 810 HA GLN 106 HA GLN 106 16.012 -5.583 -8.190 811 1HB GLN 106 HB2 GLN 106 16.221 -5.855 -5.181 812 2HB GLN 106 HB1 GLN 106 15.365 -7.027 -6.184 813 1HG GLN 106 HG2 GLN 106 18.242 -6.215 -6.665 814 2HG GLN 106 HG1 GLN 106 17.781 -7.614 -5.696 815 1HE2 GLN 106 HE21 GLN 106 15.675 -8.709 -7.148 816 2HE2 GLN 106 HE22 GLN 106 16.203 -9.164 -8.696 817 H GLN 107 HN GLN 107 14.458 -3.856 -8.831 818 HA GLN 107 HA GLN 107 12.289 -3.226 -6.963 819 1HB GLN 107 HB2 GLN 107 12.684 -2.639 -9.913 820 2HB GLN 107 HB1 GLN 107 11.313 -2.062 -8.965 821 1HG GLN 107 HG2 GLN 107 12.893 -0.937 -7.409 822 2HG GLN 107 HG1 GLN 107 14.235 -1.456 -8.429 823 1HE2 GLN 107 HE21 GLN 107 14.159 -0.654 -10.762 824 2HE2 GLN 107 HE22 GLN 107 13.442 0.854 -11.069 825 H GLY 108 HN GLY 108 12.990 -5.934 -8.811 826 1HA GLY 108 HA2 GLY 108 10.696 -6.711 -10.164 827 2HA GLY 108 HA1 GLY 108 11.643 -7.837 -9.201 828 H LEU 109 HN LEU 109 11.211 -7.808 -6.892 829 HA LEU 109 HA LEU 109 8.502 -8.377 -6.167 830 1HB LEU 109 HB2 LEU 109 10.863 -7.476 -4.514 831 2HB LEU 109 HB1 LEU 109 9.280 -7.755 -3.788 832 HG LEU 109 HG LEU 109 9.353 -10.064 -4.977 833 1HD1 LEU 109 HD11 LEU 109 12.267 -9.242 -5.118 834 2HD1 LEU 109 HD12 LEU 109 11.218 -9.658 -6.473 835 3HD1 LEU 109 HD13 LEU 109 11.690 -10.897 -5.311 836 1HD2 LEU 109 HD21 LEU 109 11.068 -9.250 -2.640 837 2HD2 LEU 109 HD22 LEU 109 10.923 -10.937 -3.135 838 3HD2 LEU 109 HD23 LEU 109 9.494 -10.041 -2.631 839 H ARG 110 HN ARG 110 10.182 -5.236 -5.687 840 HA ARG 110 HA ARG 110 8.139 -3.779 -4.558 841 1HB ARG 110 HB2 ARG 110 10.342 -2.841 -5.302 842 2HB ARG 110 HB1 ARG 110 9.722 -2.770 -6.941 843 1HG ARG 110 HG2 ARG 110 8.202 -1.451 -4.691 844 2HG ARG 110 HG1 ARG 110 9.581 -0.645 -5.421 845 1HD ARG 110 HD2 ARG 110 7.937 -1.565 -7.580 846 2HD ARG 110 HD1 ARG 110 6.861 -0.817 -6.416 847 HE ARG 110 HE ARG 110 8.552 0.570 -8.214 848 1HH1 ARG 110 HH21 ARG 110 7.912 0.486 -4.822 849 2HH1 ARG 110 HH22 ARG 110 8.457 2.107 -4.553 850 1HH2 ARG 110 HH11 ARG 110 9.268 2.671 -7.876 851 2HH2 ARG 110 HH12 ARG 110 9.224 3.344 -6.280 852 H ARG 111 HN ARG 111 8.118 -4.899 -7.934 853 HA ARG 111 HA ARG 111 5.502 -3.537 -8.356 854 1HB ARG 111 HB2 ARG 111 6.776 -5.486 -10.286 855 2HB ARG 111 HB1 ARG 111 5.642 -4.188 -10.630 856 1HG ARG 111 HG2 ARG 111 7.378 -2.787 -11.087 857 2HG ARG 111 HG1 ARG 111 7.949 -2.959 -9.433 858 1HD ARG 111 HD2 ARG 111 9.767 -3.637 -10.816 859 2HD ARG 111 HD1 ARG 111 9.066 -5.126 -10.191 860 HE ARG 111 HE ARG 111 7.737 -4.738 -12.586 861 1HH1 ARG 111 HH21 ARG 111 11.020 -4.864 -11.542 862 2HH1 ARG 111 HH22 ARG 111 11.611 -5.507 -13.038 863 1HH2 ARG 111 HH11 ARG 111 8.488 -5.578 -14.544 864 2HH2 ARG 111 HH12 ARG 111 10.177 -5.911 -14.738 865 H GLU 112 HN GLU 112 6.782 -6.809 -7.816 866 HA GLU 112 HA GLU 112 4.181 -8.047 -8.239 867 1HB GLU 112 HB2 GLU 112 6.485 -9.239 -8.231 868 2HB GLU 112 HB1 GLU 112 6.362 -9.178 -6.473 869 1HG GLU 112 HG2 GLU 112 4.194 -10.356 -6.578 870 2HG GLU 112 HG1 GLU 112 4.327 -10.435 -8.335 871 H TYR 113 HN TYR 113 6.054 -6.936 -5.465 872 HA TYR 113 HA TYR 113 4.410 -7.602 -3.318 873 1HB TYR 113 HB2 TYR 113 6.533 -6.327 -3.088 874 2HB TYR 113 HB1 TYR 113 5.737 -4.905 -3.761 875 HD1 TYR 113 HD1 TYR 113 5.810 -7.248 -0.890 876 HD2 TYR 113 HD2 TYR 113 4.211 -3.582 -2.455 877 HE1 TYR 113 HE1 TYR 113 4.948 -6.664 1.361 878 HE2 TYR 113 HE2 TYR 113 3.348 -2.997 -0.204 879 HH TYR 113 HH TYR 113 4.272 -4.726 2.623 880 H GLN 114 HN GLN 114 4.178 -4.431 -5.023 881 HA GLN 114 HA GLN 114 1.816 -3.479 -4.058 882 1HB GLN 114 HB2 GLN 114 2.747 -3.519 -6.933 883 2HB GLN 114 HB1 GLN 114 1.379 -2.556 -6.373 884 1HG GLN 114 HG2 GLN 114 2.812 -1.363 -4.798 885 2HG GLN 114 HG1 GLN 114 4.185 -2.379 -5.238 886 1HE2 GLN 114 HE21 GLN 114 2.052 -1.548 -7.852 887 2HE2 GLN 114 HE22 GLN 114 3.040 -0.360 -8.555 888 H GLN 115 HN GLN 115 2.051 -5.997 -6.592 889 HA GLN 115 HA GLN 115 -0.755 -6.228 -7.063 890 1HB GLN 115 HB2 GLN 115 1.315 -8.441 -7.208 891 2HB GLN 115 HB1 GLN 115 -0.268 -8.446 -7.979 892 1HG GLN 115 HG2 GLN 115 0.330 -6.628 -9.423 893 2HG GLN 115 HG1 GLN 115 1.815 -6.321 -8.523 894 1HE2 GLN 115 HE21 GLN 115 1.631 -6.997 -11.404 895 2HE2 GLN 115 HE22 GLN 115 2.489 -8.447 -11.609 896 H LEU 116 HN LEU 116 1.321 -7.642 -4.567 897 HA LEU 116 HA LEU 116 -0.890 -9.253 -3.469 898 1HB LEU 116 HB2 LEU 116 1.961 -8.696 -2.603 899 2HB LEU 116 HB1 LEU 116 0.830 -9.552 -1.559 900 HG LEU 116 HG LEU 116 0.430 -11.143 -3.526 901 1HD1 LEU 116 HD11 LEU 116 1.329 -9.881 -5.357 902 2HD1 LEU 116 HD12 LEU 116 2.415 -11.244 -5.106 903 3HD1 LEU 116 HD13 LEU 116 2.863 -9.644 -4.522 904 1HD2 LEU 116 HD21 LEU 116 2.408 -12.466 -2.994 905 2HD2 LEU 116 HD22 LEU 116 1.834 -11.671 -1.528 906 3HD2 LEU 116 HD23 LEU 116 3.237 -11.033 -2.385 907 H TRP 117 HN TRP 117 0.437 -6.098 -3.187 908 HA TRP 117 HA TRP 117 -0.673 -5.499 -0.568 909 1HB TRP 117 HB2 TRP 117 1.325 -4.364 -1.893 910 2HB TRP 117 HB1 TRP 117 0.039 -3.399 -2.611 911 HD1 TRP 117 HD1 TRP 117 1.269 -4.403 0.918 912 HE1 TRP 117 HE1 TRP 117 0.836 -2.420 2.506 913 HE3 TRP 117 HE3 TRP 117 -1.074 -1.198 -2.292 914 HZ2 TRP 117 HZ2 TRP 117 -0.353 0.181 2.428 915 HZ3 TRP 117 HZ3 TRP 117 -1.843 1.024 -1.510 916 HH2 TRP 117 HH2 TRP 117 -1.487 1.717 0.842 917 H LEU 118 HN LEU 118 -1.642 -4.972 -3.990 918 HA LEU 118 HA LEU 118 -4.003 -3.429 -3.313 919 1HB LEU 118 HB2 LEU 118 -3.284 -5.035 -5.785 920 2HB LEU 118 HB1 LEU 118 -4.666 -3.948 -5.657 921 HG LEU 118 HG LEU 118 -1.803 -3.070 -5.171 922 1HD1 LEU 118 HD11 LEU 118 -3.456 -2.686 -7.683 923 2HD1 LEU 118 HD12 LEU 118 -2.167 -3.878 -7.513 924 3HD1 LEU 118 HD13 LEU 118 -1.793 -2.156 -7.421 925 1HD2 LEU 118 HD21 LEU 118 -3.004 -0.800 -5.796 926 2HD2 LEU 118 HD22 LEU 118 -3.179 -1.446 -4.169 927 3HD2 LEU 118 HD23 LEU 118 -4.472 -1.666 -5.346 928 H ALA 119 HN ALA 119 -3.311 -6.912 -3.559 929 HA ALA 119 HA ALA 119 -6.106 -7.739 -3.392 930 1HB ALA 119 HB1 ALA 119 -3.734 -9.091 -2.046 931 2HB ALA 119 HB2 ALA 119 -4.086 -9.311 -3.760 932 3HB ALA 119 HB3 ALA 119 -5.251 -9.839 -2.545 933 H ALA 120 HN ALA 120 -3.817 -7.766 -0.604 934 HA ALA 120 HA ALA 120 -5.768 -7.595 1.339 935 1HB ALA 120 HB1 ALA 120 -4.069 -6.298 2.701 936 2HB ALA 120 HB2 ALA 120 -3.050 -6.273 1.259 937 3HB ALA 120 HB3 ALA 120 -3.478 -7.811 2.009 938 H PHE 121 HN PHE 121 -5.438 -5.265 -1.120 939 HA PHE 121 HA PHE 121 -6.682 -3.153 0.609 940 1HB PHE 121 HB2 PHE 121 -4.477 -2.843 -0.974 941 2HB PHE 121 HB1 PHE 121 -5.733 -2.391 -2.114 942 HD1 PHE 121 HD1 PHE 121 -7.573 -0.728 -1.153 943 HD2 PHE 121 HD2 PHE 121 -3.635 -1.223 0.496 944 HE1 PHE 121 HE1 PHE 121 -7.748 1.488 -0.059 945 HE2 PHE 121 HE2 PHE 121 -3.814 0.996 1.584 946 HZ PHE 121 HZ PHE 121 -5.870 2.353 1.306 947 H ALA 122 HN ALA 122 -7.176 -5.211 -2.186 948 HA ALA 122 HA ALA 122 -9.775 -3.811 -2.794 949 1HB ALA 122 HB1 ALA 122 -9.755 -5.447 -4.783 950 2HB ALA 122 HB2 ALA 122 -8.094 -5.824 -4.329 951 3HB ALA 122 HB3 ALA 122 -8.518 -4.196 -4.825 952 H ALA 123 HN ALA 123 -8.563 -6.780 -1.430 953 HA ALA 123 HA ALA 123 -11.353 -7.849 -1.428 954 1HB ALA 123 HB1 ALA 123 -9.426 -9.429 -1.745 955 2HB ALA 123 HB2 ALA 123 -10.362 -9.793 -0.295 956 3HB ALA 123 HB3 ALA 123 -8.816 -8.955 -0.159 957 H LEU 124 HN LEU 124 -10.176 -5.350 -0.091 958 HA LEU 124 HA LEU 124 -9.949 -5.789 2.586 959 1HB LEU 124 HB2 LEU 124 -10.285 -3.461 0.902 960 2HB LEU 124 HB1 LEU 124 -11.031 -3.180 2.477 961 HG LEU 124 HG LEU 124 -8.213 -4.209 2.122 962 1HD1 LEU 124 HD11 LEU 124 -8.576 -1.899 1.142 963 2HD1 LEU 124 HD12 LEU 124 -7.417 -1.961 2.468 964 3HD1 LEU 124 HD13 LEU 124 -9.054 -1.374 2.754 965 1HD2 LEU 124 HD21 LEU 124 -8.060 -3.231 4.482 966 2HD2 LEU 124 HD22 LEU 124 -8.995 -4.696 4.321 967 3HD2 LEU 124 HD23 LEU 124 -9.809 -3.135 4.447 968 HA PRO 125 HA PRO 125 -14.572 -4.105 3.151 969 1HB PRO 125 HB2 PRO 125 -16.097 -4.705 0.822 970 2HB PRO 125 HB1 PRO 125 -15.640 -3.100 1.424 971 1HG PRO 125 HG2 PRO 125 -14.439 -4.672 -0.791 972 2HG PRO 125 HG1 PRO 125 -14.388 -2.928 -0.500 973 1HD PRO 125 HD2 PRO 125 -12.235 -4.601 -0.112 974 2HD PRO 125 HD1 PRO 125 -12.463 -3.054 0.725 975 H GLY 126 HN GLY 126 -14.729 -6.712 0.738 976 1HA GLY 126 HA2 GLY 126 -16.228 -8.302 2.720 977 2HA GLY 126 HA1 GLY 126 -15.930 -8.771 1.030 978 H SER 127 HN SER 127 -14.170 -8.051 4.002 979 HA SER 127 HA SER 127 -13.206 -10.556 4.554 980 1HB SER 127 HB2 SER 127 -11.869 -9.903 2.237 981 2HB SER 127 HB1 SER 127 -10.727 -9.324 3.432 982 HG SER 127 HG SER 127 -10.815 -11.394 4.390 983 H ALA 128 HN ALA 128 -11.443 -7.493 4.313 984 HA ALA 128 HA ALA 128 -11.218 -7.442 7.320 985 1HB ALA 128 HB1 ALA 128 -9.212 -6.866 5.146 986 2HB ALA 128 HB2 ALA 128 -9.063 -7.961 6.518 987 3HB ALA 128 HB3 ALA 128 -9.024 -6.221 6.774 988 H LYS 129 HN LYS 129 -12.935 -5.828 7.593 989 HA LYS 129 HA LYS 129 -12.210 -3.116 7.135 990 1HB LYS 129 HB2 LYS 129 -12.880 -4.089 4.735 991 2HB LYS 129 HB1 LYS 129 -14.494 -3.821 5.324 992 1HG LYS 129 HG2 LYS 129 -13.256 -1.418 5.959 993 2HG LYS 129 HG1 LYS 129 -12.450 -1.861 4.463 994 1HD LYS 129 HD2 LYS 129 -14.448 -1.813 3.221 995 2HD LYS 129 HD1 LYS 129 -15.453 -1.903 4.660 996 1HE LYS 129 HE2 LYS 129 -13.636 0.435 4.028 997 2HE LYS 129 HE1 LYS 129 -15.358 0.405 3.663 998 1HZ LYS 129 HZ1 LYS 129 -15.114 -0.390 6.295 999 2HZ LYS 129 HZ2 LYS 129 -15.719 1.090 5.719 1000 3HZ LYS 129 HZ3 LYS 129 -14.076 0.941 6.124 1001 H ASP 130 HN ASP 130 -14.749 -2.187 6.542 1002 HA ASP 130 HA ASP 130 -16.934 -3.093 8.133 1003 1HB ASP 130 HB2 ASP 130 -15.548 -2.476 10.058 1004 2HB ASP 130 HB1 ASP 130 -15.226 -0.892 9.353 1005 HA PRO 131 HA PRO 131 -17.488 0.325 5.037 1006 1HB PRO 131 HB2 PRO 131 -18.825 -1.164 3.134 1007 2HB PRO 131 HB1 PRO 131 -17.062 -1.052 3.226 1008 1HG PRO 131 HG2 PRO 131 -18.788 -3.365 3.870 1009 2HG PRO 131 HG1 PRO 131 -17.043 -3.328 3.571 1010 1HD PRO 131 HD2 PRO 131 -18.417 -3.431 6.140 1011 2HD PRO 131 HD1 PRO 131 -16.675 -3.481 5.836 1012 H SER 132 HN SER 132 -19.804 -2.292 5.568 1013 HA SER 132 HA SER 132 -21.945 -0.905 6.845 1014 1HB SER 132 HB2 SER 132 -21.866 -0.715 3.844 1015 2HB SER 132 HB1 SER 132 -23.419 -0.865 4.659 1016 HG SER 132 HG SER 132 -21.457 1.152 4.896 1017 H TRP 133 HN TRP 133 -20.565 -3.487 6.659 1018 HA TRP 133 HA TRP 133 -21.029 -5.760 6.710 1019 1HB TRP 133 HB2 TRP 133 -23.938 -4.958 6.923 1020 2HB TRP 133 HB1 TRP 133 -23.152 -6.379 7.611 1021 HD1 TRP 133 HD1 TRP 133 -24.105 -2.903 8.423 1022 HE1 TRP 133 HE1 TRP 133 -23.057 -2.176 10.664 1023 HE3 TRP 133 HE3 TRP 133 -20.765 -6.706 9.112 1024 HZ2 TRP 133 HZ2 TRP 133 -21.066 -3.087 12.505 1025 HZ3 TRP 133 HZ3 TRP 133 -19.307 -6.751 11.115 1026 HH2 TRP 133 HH2 TRP 133 -19.453 -4.948 12.811 1027 H ALA 134 HN ALA 134 -23.385 -4.078 4.602 1028 HA ALA 134 HA ALA 134 -24.271 -4.755 2.532 1029 1HB ALA 134 HB1 ALA 134 -22.642 -5.545 0.949 1030 2HB ALA 134 HB2 ALA 134 -21.616 -6.182 2.234 1031 3HB ALA 134 HB3 ALA 134 -21.799 -4.439 2.034 Start of MODEL 14 1 HT1 PRO 1 HT2 PRO 1 5.464 9.120 -0.628 2 HT2 PRO 1 HT1 PRO 1 5.140 10.455 0.374 3 HA PRO 1 HA PRO 1 7.378 8.779 0.410 4 1HB PRO 1 HB2 PRO 1 8.709 11.333 0.277 5 2HB PRO 1 HB1 PRO 1 8.948 9.934 -0.780 6 1HG PRO 1 HG2 PRO 1 7.614 12.424 -1.399 7 2HG PRO 1 HG1 PRO 1 7.917 11.048 -2.472 8 1HD PRO 1 HD2 PRO 1 5.405 11.844 -1.313 9 2HD PRO 1 HD1 PRO 1 5.720 10.457 -2.361 10 H VAL 2 HN VAL 2 7.586 8.579 2.543 11 HA VAL 2 HA VAL 2 7.427 10.926 4.341 12 HB VAL 2 HB VAL 2 5.885 9.818 5.882 13 1HG1 VAL 2 HG11 VAL 2 5.099 11.072 3.623 14 2HG1 VAL 2 HG12 VAL 2 3.953 10.408 4.764 15 3HG1 VAL 2 HG13 VAL 2 4.375 9.499 3.314 16 1HG2 VAL 2 HG21 VAL 2 6.055 7.518 5.767 17 2HG2 VAL 2 HG22 VAL 2 6.346 7.526 4.035 18 3HG2 VAL 2 HG23 VAL 2 4.711 7.675 4.640 19 H MET 3 HN MET 3 9.185 10.772 5.654 20 HA MET 3 HA MET 3 10.654 8.206 5.802 21 1HB MET 3 HB2 MET 3 11.308 10.969 6.839 22 2HB MET 3 HB1 MET 3 12.405 9.584 6.820 23 1HG MET 3 HG2 MET 3 12.265 9.450 4.385 24 2HG MET 3 HG1 MET 3 11.070 10.747 4.349 25 1HE MET 3 HE1 MET 3 14.031 12.560 2.777 26 2HE MET 3 HE2 MET 3 12.406 11.898 2.615 27 3HE MET 3 HE3 MET 3 13.796 10.814 2.620 28 H HIS 4 HN HIS 4 10.809 6.956 7.646 29 HA HIS 4 HA HIS 4 9.111 7.741 9.942 30 1HB HIS 4 HB2 HIS 4 9.803 5.251 8.606 31 2HB HIS 4 HB1 HIS 4 10.113 5.102 10.330 32 HD1 HIS 4 HD1 HIS 4 8.128 4.044 11.390 33 HD2 HIS 4 HD2 HIS 4 7.002 6.765 8.439 34 HE1 HIS 4 HE1 HIS 4 5.597 4.109 11.404 35 HA PRO 5 HA PRO 5 12.448 8.458 12.739 36 1HB PRO 5 HB2 PRO 5 11.633 6.811 14.932 37 2HB PRO 5 HB1 PRO 5 11.231 8.516 14.700 38 1HG PRO 5 HG2 PRO 5 9.491 6.171 14.378 39 2HG PRO 5 HG1 PRO 5 9.041 7.882 14.427 40 1HD PRO 5 HD2 PRO 5 9.094 6.206 12.112 41 2HD PRO 5 HD1 PRO 5 8.862 7.966 12.149 42 H HIS 6 HN HIS 6 14.064 7.153 14.229 43 HA HIS 6 HA HIS 6 15.745 5.527 14.291 44 1HB HIS 6 HB2 HIS 6 13.636 4.044 14.629 45 2HB HIS 6 HB1 HIS 6 13.826 3.621 12.929 46 HD1 HIS 6 HD1 HIS 6 16.478 2.870 12.352 47 HD2 HIS 6 HD2 HIS 6 15.096 2.360 16.252 48 HE1 HIS 6 HE1 HIS 6 18.030 1.196 13.448 49 H GLY 7 HN GLY 7 16.105 7.262 12.384 50 1HA GLY 7 HA2 GLY 7 17.702 6.115 10.424 51 2HA GLY 7 HA1 GLY 7 16.097 6.177 9.693 52 H ALA 8 HN ALA 8 14.979 8.420 9.894 53 HA ALA 8 HA ALA 8 16.972 10.654 9.884 54 1HB ALA 8 HB1 ALA 8 16.766 11.002 7.628 55 2HB ALA 8 HB2 ALA 8 15.004 10.927 7.717 56 3HB ALA 8 HB3 ALA 8 15.943 9.449 7.547 57 HA PRO 9 HA PRO 9 13.817 13.045 11.854 58 1HB PRO 9 HB2 PRO 9 13.403 15.033 9.745 59 2HB PRO 9 HB1 PRO 9 14.191 15.249 11.317 60 1HG PRO 9 HG2 PRO 9 15.502 15.202 8.807 61 2HG PRO 9 HG1 PRO 9 16.289 15.078 10.388 62 1HD PRO 9 HD2 PRO 9 15.852 12.975 8.388 63 2HD PRO 9 HD1 PRO 9 16.895 12.935 9.824 64 HA PRO 10 HA PRO 10 10.783 11.058 9.299 65 1HB PRO 10 HB2 PRO 10 8.695 10.903 11.237 66 2HB PRO 10 HB1 PRO 10 9.912 9.662 10.914 67 1HG PRO 10 HG2 PRO 10 9.759 11.538 13.190 68 2HG PRO 10 HG1 PRO 10 10.702 10.049 13.036 69 1HD PRO 10 HD2 PRO 10 11.705 12.723 12.847 70 2HD PRO 10 HD1 PRO 10 12.591 11.225 12.487 71 H ASN 11 HN ASN 11 9.342 12.027 7.893 72 HA ASN 11 HA ASN 11 7.401 13.992 8.749 73 1HB ASN 11 HB2 ASN 11 9.519 15.340 8.801 74 2HB ASN 11 HB1 ASN 11 9.701 15.030 7.074 75 1HD2 ASN 11 HD21 ASN 11 6.896 15.970 9.158 76 2HD2 ASN 11 HD22 ASN 11 6.423 17.272 8.177 77 H HIS 12 HN HIS 12 6.118 14.798 6.917 78 HA HIS 12 HA HIS 12 6.148 12.866 4.638 79 1HB HIS 12 HB2 HIS 12 3.983 14.830 5.457 80 2HB HIS 12 HB1 HIS 12 3.837 13.538 4.266 81 HD1 HIS 12 HD1 HIS 12 5.752 11.836 6.536 82 HD2 HIS 12 HD2 HIS 12 1.832 13.232 6.789 83 HE1 HIS 12 HE1 HIS 12 4.615 10.460 8.333 84 H ARG 13 HN ARG 13 6.580 13.623 2.557 85 HA ARG 13 HA ARG 13 6.742 16.599 2.179 86 1HB ARG 13 HB2 ARG 13 8.865 16.189 0.908 87 2HB ARG 13 HB1 ARG 13 8.996 15.857 2.633 88 1HG ARG 13 HG2 ARG 13 8.179 13.539 0.911 89 2HG ARG 13 HG1 ARG 13 9.836 14.098 0.722 90 1HD ARG 13 HD2 ARG 13 8.622 13.476 3.427 91 2HD ARG 13 HD1 ARG 13 9.492 12.274 2.466 92 HE ARG 13 HE ARG 13 11.235 14.431 2.580 93 1HH1 ARG 13 HH21 ARG 13 9.477 12.515 4.845 94 2HH1 ARG 13 HH22 ARG 13 10.647 12.699 6.108 95 1HH2 ARG 13 HH11 ARG 13 12.767 14.686 4.216 96 2HH2 ARG 13 HH12 ARG 13 12.510 13.928 5.752 97 HA PRO 14 HA PRO 14 4.877 14.552 -1.516 98 1HB PRO 14 HB2 PRO 14 2.334 15.736 -1.311 99 2HB PRO 14 HB1 PRO 14 2.730 14.116 -0.715 100 1HG PRO 14 HG2 PRO 14 2.220 16.572 0.845 101 2HG PRO 14 HG1 PRO 14 2.258 14.892 1.403 102 1HD PRO 14 HD2 PRO 14 4.322 16.901 1.735 103 2HD PRO 14 HD1 PRO 14 4.367 15.204 2.254 104 H TRP 15 HN TRP 15 5.437 15.698 -3.331 105 HA TRP 15 HA TRP 15 5.747 18.608 -3.186 106 1HB TRP 15 HB2 TRP 15 6.235 16.540 -5.340 107 2HB TRP 15 HB1 TRP 15 6.403 18.265 -5.657 108 HD1 TRP 15 HD1 TRP 15 7.508 16.179 -2.581 109 HE1 TRP 15 HE1 TRP 15 10.012 16.629 -2.173 110 HE3 TRP 15 HE3 TRP 15 8.507 19.260 -6.531 111 HZ2 TRP 15 HZ2 TRP 15 12.156 18.098 -3.364 112 HZ3 TRP 15 HZ3 TRP 15 10.787 20.168 -6.870 113 HH2 TRP 15 HH2 TRP 15 12.612 19.592 -5.293 114 H GLN 16 HN GLN 16 3.108 16.776 -3.499 115 HA GLN 16 HA GLN 16 1.398 18.821 -4.512 116 1HB GLN 16 HB2 GLN 16 0.783 17.538 -6.678 117 2HB GLN 16 HB1 GLN 16 2.264 18.492 -6.708 118 1HG GLN 16 HG2 GLN 16 3.639 16.571 -6.461 119 2HG GLN 16 HG1 GLN 16 2.285 15.568 -5.944 120 1HE2 GLN 16 HE21 GLN 16 3.341 17.496 -8.809 121 2HE2 GLN 16 HE22 GLN 16 2.662 16.438 -9.950 122 H MET 17 HN MET 17 0.722 17.634 -2.354 123 HA MET 17 HA MET 17 -0.199 14.974 -2.535 124 1HB MET 17 HB2 MET 17 -1.610 15.646 -0.458 125 2HB MET 17 HB1 MET 17 0.142 15.821 -0.336 126 1HG MET 17 HG2 MET 17 0.030 18.177 -0.729 127 2HG MET 17 HG1 MET 17 -1.656 18.081 -1.237 128 1HE MET 17 HE1 MET 17 -0.958 20.204 0.541 129 2HE MET 17 HE2 MET 17 -1.964 20.120 1.985 130 3HE MET 17 HE3 MET 17 -2.685 19.846 0.401 131 H LYS 18 HN LYS 18 -1.337 17.677 -4.047 132 HA LYS 18 HA LYS 18 -4.187 17.449 -3.820 133 1HB LYS 18 HB2 LYS 18 -4.212 18.730 -5.978 134 2HB LYS 18 HB1 LYS 18 -3.200 19.472 -4.740 135 1HG LYS 18 HG2 LYS 18 -1.229 18.255 -5.761 136 2HG LYS 18 HG1 LYS 18 -2.287 17.803 -7.096 137 1HD LYS 18 HD2 LYS 18 -1.776 20.659 -6.211 138 2HD LYS 18 HD1 LYS 18 -0.942 19.872 -7.550 139 1HE LYS 18 HE2 LYS 18 -3.315 19.380 -8.475 140 2HE LYS 18 HE1 LYS 18 -3.859 20.607 -7.330 141 1HZ LYS 18 HZ1 LYS 18 -2.836 21.050 -9.830 142 2HZ LYS 18 HZ2 LYS 18 -1.563 21.461 -8.783 143 3HZ LYS 18 HZ3 LYS 18 -3.077 22.214 -8.620 144 H ASP 19 HN ASP 19 -2.020 15.247 -4.971 145 HA ASP 19 HA ASP 19 -3.867 14.200 -7.078 146 1HB ASP 19 HB2 ASP 19 -1.470 14.398 -7.724 147 2HB ASP 19 HB1 ASP 19 -1.031 13.343 -6.380 148 H LEU 20 HN LEU 20 -2.306 13.299 -3.987 149 HA LEU 20 HA LEU 20 -3.723 10.729 -3.989 150 1HB LEU 20 HB2 LEU 20 -2.908 10.531 -1.645 151 2HB LEU 20 HB1 LEU 20 -1.608 10.840 -2.787 152 HG LEU 20 HG LEU 20 -1.890 13.330 -2.228 153 1HD1 LEU 20 HD11 LEU 20 -3.816 12.119 -0.292 154 2HD1 LEU 20 HD12 LEU 20 -3.789 13.728 -1.005 155 3HD1 LEU 20 HD13 LEU 20 -2.746 13.360 0.359 156 1HD2 LEU 20 HD21 LEU 20 -0.869 11.276 -0.258 157 2HD2 LEU 20 HD22 LEU 20 -0.610 13.005 -0.027 158 3HD2 LEU 20 HD23 LEU 20 0.052 12.196 -1.447 159 H GLN 21 HN GLN 21 -4.473 13.958 -3.514 160 HA GLN 21 HA GLN 21 -6.618 13.520 -1.542 161 1HB GLN 21 HB2 GLN 21 -5.226 15.678 -1.755 162 2HB GLN 21 HB1 GLN 21 -6.121 15.982 -3.243 163 1HG GLN 21 HG2 GLN 21 -7.262 17.145 -1.466 164 2HG GLN 21 HG1 GLN 21 -8.249 15.755 -1.906 165 1HE2 GLN 21 HE21 GLN 21 -9.211 15.489 0.205 166 2HE2 GLN 21 HE22 GLN 21 -8.306 14.998 1.554 167 H ALA 22 HN ALA 22 -6.159 14.341 -4.954 168 HA ALA 22 HA ALA 22 -8.717 14.491 -6.013 169 1HB ALA 22 HB1 ALA 22 -6.255 13.086 -7.026 170 2HB ALA 22 HB2 ALA 22 -6.860 14.684 -7.457 171 3HB ALA 22 HB3 ALA 22 -7.723 13.242 -7.990 172 H ILE 23 HN ILE 23 -6.913 11.781 -4.775 173 HA ILE 23 HA ILE 23 -8.905 9.732 -5.555 174 HB ILE 23 HB ILE 23 -6.126 9.744 -4.388 175 1HG1 ILE 23 HG12 ILE 23 -5.983 7.818 -6.188 176 2HG1 ILE 23 HG11 ILE 23 -7.485 8.507 -6.790 177 1HG2 ILE 23 HG21 ILE 23 -6.857 8.163 -2.872 178 2HG2 ILE 23 HG22 ILE 23 -6.552 7.102 -4.244 179 3HG2 ILE 23 HG23 ILE 23 -8.192 7.634 -3.887 180 1HD1 ILE 23 HD11 ILE 23 -6.319 10.755 -6.848 181 2HD1 ILE 23 HD12 ILE 23 -5.695 9.565 -7.989 182 3HD1 ILE 23 HD13 ILE 23 -4.818 9.900 -6.497 183 H LYS 24 HN LYS 24 -7.899 11.647 -2.789 184 HA LYS 24 HA LYS 24 -9.584 10.098 -0.871 185 1HB LYS 24 HB2 LYS 24 -7.276 11.432 -0.407 186 2HB LYS 24 HB1 LYS 24 -8.398 12.783 -0.266 187 1HG LYS 24 HG2 LYS 24 -9.705 11.509 1.412 188 2HG LYS 24 HG1 LYS 24 -8.544 10.186 1.295 189 1HD LYS 24 HD2 LYS 24 -6.748 11.637 2.082 190 2HD LYS 24 HD1 LYS 24 -7.839 13.023 2.098 191 1HE LYS 24 HE2 LYS 24 -8.101 10.527 3.798 192 2HE LYS 24 HE1 LYS 24 -7.613 12.124 4.364 193 1HZ LYS 24 HZ1 LYS 24 -10.237 11.414 3.168 194 2HZ LYS 24 HZ2 LYS 24 -9.768 12.979 3.634 195 3HZ LYS 24 HZ3 LYS 24 -9.942 11.758 4.802 196 H GLN 25 HN GLN 25 -10.211 11.994 -3.370 197 HA GLN 25 HA GLN 25 -12.471 13.420 -1.979 198 1HB GLN 25 HB2 GLN 25 -11.268 13.661 -4.749 199 2HB GLN 25 HB1 GLN 25 -12.781 14.438 -4.282 200 1HG GLN 25 HG2 GLN 25 -10.181 14.819 -2.784 201 2HG GLN 25 HG1 GLN 25 -10.737 15.910 -4.051 202 1HE2 GLN 25 HE21 GLN 25 -12.974 16.914 -3.657 203 2HE2 GLN 25 HE22 GLN 25 -13.427 17.236 -2.054 204 H GLU 26 HN GLU 26 -12.292 11.844 -5.188 205 HA GLU 26 HA GLU 26 -15.057 11.134 -5.104 206 1HB GLU 26 HB2 GLU 26 -12.892 9.628 -6.601 207 2HB GLU 26 HB1 GLU 26 -14.603 9.719 -7.013 208 1HG GLU 26 HG2 GLU 26 -14.421 12.091 -7.493 209 2HG GLU 26 HG1 GLU 26 -12.754 12.120 -6.917 210 H VAL 27 HN VAL 27 -12.491 9.721 -3.311 211 HA VAL 27 HA VAL 27 -14.143 7.231 -2.941 212 HB VAL 27 HB VAL 27 -12.255 6.077 -2.173 213 1HG1 VAL 27 HG11 VAL 27 -11.877 6.299 -4.492 214 2HG1 VAL 27 HG12 VAL 27 -10.331 6.697 -3.743 215 3HG1 VAL 27 HG13 VAL 27 -11.371 7.980 -4.345 216 1HG2 VAL 27 HG21 VAL 27 -11.339 7.406 -0.492 217 2HG2 VAL 27 HG22 VAL 27 -11.218 8.809 -1.527 218 3HG2 VAL 27 HG23 VAL 27 -10.063 7.491 -1.703 219 H SER 28 HN SER 28 -12.666 10.013 -1.281 220 HA SER 28 HA SER 28 -13.012 9.238 1.192 221 1HB SER 28 HB2 SER 28 -13.403 11.916 0.012 222 2HB SER 28 HB1 SER 28 -14.099 11.752 1.616 223 HG SER 28 HG SER 28 -11.475 10.895 0.987 224 H GLN 29 HN GLN 29 -15.611 10.322 -1.010 225 HA GLN 29 HA GLN 29 -17.646 9.966 0.992 226 1HB GLN 29 HB2 GLN 29 -17.721 10.630 -1.978 227 2HB GLN 29 HB1 GLN 29 -19.207 10.429 -1.038 228 1HG GLN 29 HG2 GLN 29 -18.712 12.286 0.354 229 2HG GLN 29 HG1 GLN 29 -17.019 12.309 -0.139 230 1HE2 GLN 29 HE21 GLN 29 -20.304 12.671 -1.601 231 2HE2 GLN 29 HE22 GLN 29 -19.828 13.844 -2.732 232 H ALA 30 HN ALA 30 -16.258 8.082 -1.656 233 HA ALA 30 HA ALA 30 -18.096 6.163 -2.372 234 1HB ALA 30 HB1 ALA 30 -15.876 5.687 -3.065 235 2HB ALA 30 HB2 ALA 30 -16.286 4.338 -1.999 236 3HB ALA 30 HB3 ALA 30 -15.275 5.655 -1.409 237 H ALA 31 HN ALA 31 -18.152 3.737 -1.370 238 HA ALA 31 HA ALA 31 -19.582 4.003 1.140 239 1HB ALA 31 HB1 ALA 31 -19.092 1.913 -0.810 240 2HB ALA 31 HB2 ALA 31 -20.344 1.966 0.427 241 3HB ALA 31 HB3 ALA 31 -18.766 1.275 0.801 242 HA PRO 32 HA PRO 32 -16.279 3.825 4.038 243 1HB PRO 32 HB2 PRO 32 -17.083 1.377 5.416 244 2HB PRO 32 HB1 PRO 32 -17.241 3.047 5.973 245 1HG PRO 32 HG2 PRO 32 -19.349 1.316 5.018 246 2HG PRO 32 HG1 PRO 32 -19.494 2.993 5.556 247 1HD PRO 32 HD2 PRO 32 -19.702 2.003 2.851 248 2HD PRO 32 HD1 PRO 32 -19.777 3.692 3.396 249 H GLY 33 HN GLY 33 -14.964 3.240 2.107 250 1HA GLY 33 HA2 GLY 33 -12.996 1.919 1.586 251 2HA GLY 33 HA1 GLY 33 -13.764 0.532 2.372 252 H SER 34 HN SER 34 -15.307 -0.617 1.261 253 HA SER 34 HA SER 34 -16.330 -1.592 -0.559 254 1HB SER 34 HB2 SER 34 -17.836 -0.119 -1.288 255 2HB SER 34 HB1 SER 34 -16.877 1.174 -0.584 256 HG SER 34 HG SER 34 -15.602 0.973 -2.626 257 HA PRO 35 HA PRO 35 -13.232 -2.332 -3.575 258 1HB PRO 35 HB2 PRO 35 -14.767 -2.208 -6.032 259 2HB PRO 35 HB1 PRO 35 -14.321 -3.655 -5.112 260 1HG PRO 35 HG2 PRO 35 -16.939 -2.373 -5.282 261 2HG PRO 35 HG1 PRO 35 -16.517 -3.894 -4.484 262 1HD PRO 35 HD2 PRO 35 -17.146 -1.387 -3.212 263 2HD PRO 35 HD1 PRO 35 -16.613 -2.888 -2.427 264 H GLN 36 HN GLN 36 -15.538 0.097 -4.745 265 HA GLN 36 HA GLN 36 -14.347 1.643 -6.588 266 1HB GLN 36 HB2 GLN 36 -15.589 2.596 -3.997 267 2HB GLN 36 HB1 GLN 36 -15.213 3.675 -5.343 268 1HG GLN 36 HG2 GLN 36 -16.652 2.301 -6.828 269 2HG GLN 36 HG1 GLN 36 -17.060 1.271 -5.455 270 1HE2 GLN 36 HE21 GLN 36 -18.628 3.406 -7.176 271 2HE2 GLN 36 HE22 GLN 36 -19.420 4.326 -5.989 272 H PHE 37 HN PHE 37 -13.376 1.721 -3.165 273 HA PHE 37 HA PHE 37 -11.705 3.831 -3.199 274 1HB PHE 37 HB2 PHE 37 -12.183 1.708 -1.475 275 2HB PHE 37 HB1 PHE 37 -10.453 1.570 -1.751 276 HD1 PHE 37 HD1 PHE 37 -8.963 3.543 -1.267 277 HD2 PHE 37 HD2 PHE 37 -13.099 3.484 -0.143 278 HE1 PHE 37 HE1 PHE 37 -8.546 5.377 0.345 279 HE2 PHE 37 HE2 PHE 37 -12.689 5.318 1.469 280 HZ PHE 37 HZ PHE 37 -10.411 6.265 1.716 281 H MET 38 HN MET 38 -11.104 0.506 -4.121 282 HA MET 38 HA MET 38 -8.365 0.453 -4.712 283 1HB MET 38 HB2 MET 38 -9.529 -1.625 -4.590 284 2HB MET 38 HB1 MET 38 -10.677 -1.139 -5.827 285 1HG MET 38 HG2 MET 38 -8.882 -2.758 -6.606 286 2HG MET 38 HG1 MET 38 -9.032 -1.291 -7.560 287 1HE MET 38 HE1 MET 38 -5.284 -2.394 -7.504 288 2HE MET 38 HE2 MET 38 -6.874 -2.730 -8.181 289 3HE MET 38 HE3 MET 38 -6.356 -3.557 -6.715 290 H GLN 39 HN GLN 39 -11.090 1.037 -6.939 291 HA GLN 39 HA GLN 39 -9.833 1.257 -9.378 292 1HB GLN 39 HB2 GLN 39 -12.293 1.718 -8.686 293 2HB GLN 39 HB1 GLN 39 -11.773 3.391 -8.478 294 1HG GLN 39 HG2 GLN 39 -11.432 1.767 -11.020 295 2HG GLN 39 HG1 GLN 39 -12.683 2.982 -10.754 296 1HE2 GLN 39 HE21 GLN 39 -9.824 2.663 -12.316 297 2HE2 GLN 39 HE22 GLN 39 -9.214 4.240 -12.166 298 H THR 40 HN THR 40 -10.128 3.832 -6.950 299 HA THR 40 HA THR 40 -8.223 5.640 -8.322 300 HB THR 40 HB THR 40 -8.556 6.673 -5.894 301 HG1 THR 40 HG1 THR 40 -9.802 4.416 -5.702 302 1HG2 THR 40 HG21 THR 40 -10.606 6.557 -8.081 303 2HG2 THR 40 HG22 THR 40 -9.607 7.922 -7.581 304 3HG2 THR 40 HG23 THR 40 -10.972 7.411 -6.579 305 H ILE 41 HN ILE 41 -7.895 3.405 -5.555 306 HA ILE 41 HA ILE 41 -5.079 4.290 -5.360 307 HB ILE 41 HB ILE 41 -6.318 1.785 -4.190 308 1HG1 ILE 41 HG12 ILE 41 -7.453 4.050 -3.592 309 2HG1 ILE 41 HG11 ILE 41 -6.982 2.975 -2.283 310 1HG2 ILE 41 HG21 ILE 41 -4.483 2.212 -2.464 311 2HG2 ILE 41 HG22 ILE 41 -3.812 3.354 -3.624 312 3HG2 ILE 41 HG23 ILE 41 -3.961 1.650 -4.049 313 1HD1 ILE 41 HD11 ILE 41 -5.054 4.277 -1.757 314 2HD1 ILE 41 HD12 ILE 41 -6.353 5.445 -1.991 315 3HD1 ILE 41 HD13 ILE 41 -5.161 5.189 -3.260 316 H ARG 42 HN ARG 42 -6.752 2.531 -7.565 317 HA ARG 42 HA ARG 42 -4.686 0.519 -8.113 318 1HB ARG 42 HB2 ARG 42 -7.102 0.099 -8.559 319 2HB ARG 42 HB1 ARG 42 -7.040 1.344 -9.802 320 1HG ARG 42 HG2 ARG 42 -5.265 0.032 -10.971 321 2HG ARG 42 HG1 ARG 42 -5.420 -1.222 -9.743 322 1HD ARG 42 HD2 ARG 42 -7.538 -0.311 -11.705 323 2HD ARG 42 HD1 ARG 42 -6.759 -1.891 -11.633 324 HE ARG 42 HE ARG 42 -7.933 -1.618 -9.138 325 1HH1 ARG 42 HH21 ARG 42 -8.943 -1.361 -12.424 326 2HH1 ARG 42 HH22 ARG 42 -10.561 -1.893 -12.108 327 1HH2 ARG 42 HH11 ARG 42 -10.040 -2.315 -8.705 328 2HH2 ARG 42 HH12 ARG 42 -11.182 -2.434 -10.003 329 H LEU 43 HN LEU 43 -5.811 3.598 -9.590 330 HA LEU 43 HA LEU 43 -3.710 3.369 -11.664 331 1HB LEU 43 HB2 LEU 43 -5.989 5.271 -11.130 332 2HB LEU 43 HB1 LEU 43 -4.723 5.700 -12.275 333 HG LEU 43 HG LEU 43 -6.729 4.604 -13.310 334 1HD1 LEU 43 HD11 LEU 43 -5.476 3.510 -14.919 335 2HD1 LEU 43 HD12 LEU 43 -4.448 2.701 -13.742 336 3HD1 LEU 43 HD13 LEU 43 -4.192 4.405 -14.113 337 1HD2 LEU 43 HD21 LEU 43 -7.166 2.273 -12.946 338 2HD2 LEU 43 HD22 LEU 43 -7.087 3.047 -11.365 339 3HD2 LEU 43 HD23 LEU 43 -5.721 2.101 -11.952 340 H ALA 44 HN ALA 44 -4.130 4.765 -8.545 341 HA ALA 44 HA ALA 44 -1.991 6.811 -9.045 342 1HB ALA 44 HB1 ALA 44 -2.419 7.537 -6.746 343 2HB ALA 44 HB2 ALA 44 -3.455 6.138 -6.464 344 3HB ALA 44 HB3 ALA 44 -3.963 7.399 -7.587 345 H VAL 45 HN VAL 45 -2.347 3.801 -7.167 346 HA VAL 45 HA VAL 45 0.431 4.038 -6.306 347 HB VAL 45 HB VAL 45 -1.558 1.761 -6.192 348 1HG1 VAL 45 HG11 VAL 45 1.309 1.952 -5.239 349 2HG1 VAL 45 HG12 VAL 45 0.594 0.714 -6.272 350 3HG1 VAL 45 HG13 VAL 45 0.163 0.794 -4.564 351 1HG2 VAL 45 HG21 VAL 45 -1.845 3.851 -4.754 352 2HG2 VAL 45 HG22 VAL 45 -0.334 3.403 -3.964 353 3HG2 VAL 45 HG23 VAL 45 -1.729 2.329 -3.871 354 H GLN 46 HN GLN 46 -1.270 2.607 -9.073 355 HA GLN 46 HA GLN 46 1.090 1.026 -9.831 356 1HB GLN 46 HB2 GLN 46 -1.465 1.638 -11.343 357 2HB GLN 46 HB1 GLN 46 -0.247 0.452 -11.816 358 1HG GLN 46 HG2 GLN 46 -0.648 -0.859 -9.834 359 2HG GLN 46 HG1 GLN 46 -1.694 0.391 -9.160 360 1HE2 GLN 46 HE21 GLN 46 -2.729 -2.216 -9.495 361 2HE2 GLN 46 HE22 GLN 46 -3.873 -2.208 -10.749 362 H GLN 47 HN GLN 47 -0.115 4.249 -10.375 363 HA GLN 47 HA GLN 47 1.427 4.582 -12.853 364 1HB GLN 47 HB2 GLN 47 -0.267 6.435 -11.196 365 2HB GLN 47 HB1 GLN 47 0.724 7.042 -12.518 366 1HG GLN 47 HG2 GLN 47 -0.413 5.680 -14.128 367 2HG GLN 47 HG1 GLN 47 -1.246 4.769 -12.871 368 1HE2 GLN 47 HE21 GLN 47 -1.138 7.966 -11.851 369 2HE2 GLN 47 HE22 GLN 47 -2.650 8.481 -12.427 370 H PHE 48 HN PHE 48 1.418 6.470 -9.825 371 HA PHE 48 HA PHE 48 4.191 7.297 -10.291 372 1HB PHE 48 HB2 PHE 48 2.339 7.842 -7.953 373 2HB PHE 48 HB1 PHE 48 3.879 8.645 -8.259 374 HD1 PHE 48 HD1 PHE 48 0.404 8.214 -9.448 375 HD2 PHE 48 HD2 PHE 48 4.108 10.320 -9.990 376 HE1 PHE 48 HE1 PHE 48 -0.740 9.845 -10.925 377 HE2 PHE 48 HE2 PHE 48 2.965 11.950 -11.468 378 HZ PHE 48 HZ PHE 48 0.541 11.713 -11.936 379 H ASP 49 HN ASP 49 2.879 4.515 -9.010 380 HA ASP 49 HA ASP 49 3.546 3.186 -7.058 381 1HB ASP 49 HB2 ASP 49 5.914 3.259 -8.934 382 2HB ASP 49 HB1 ASP 49 5.522 1.965 -7.803 383 HA PRO 50 HA PRO 50 6.262 6.469 -5.096 384 1HB PRO 50 HB2 PRO 50 4.724 5.954 -2.666 385 2HB PRO 50 HB1 PRO 50 4.889 7.469 -3.560 386 1HG PRO 50 HG2 PRO 50 2.574 5.796 -3.471 387 2HG PRO 50 HG1 PRO 50 2.822 7.199 -4.520 388 1HD PRO 50 HD2 PRO 50 2.813 4.378 -5.257 389 2HD PRO 50 HD1 PRO 50 2.922 5.790 -6.329 390 H THR 51 HN THR 51 7.699 6.068 -3.153 391 HA THR 51 HA THR 51 8.673 3.327 -3.182 392 HB THR 51 HB THR 51 10.309 4.137 -1.516 393 HG1 THR 51 HG1 THR 51 9.370 6.730 -1.727 394 1HG2 THR 51 HG21 THR 51 9.765 5.848 -3.945 395 2HG2 THR 51 HG22 THR 51 10.920 4.525 -3.779 396 3HG2 THR 51 HG23 THR 51 11.207 6.056 -2.951 397 H ALA 52 HN ALA 52 8.939 2.057 -1.112 398 HA ALA 52 HA ALA 52 6.515 1.481 0.131 399 1HB ALA 52 HB1 ALA 52 9.117 1.271 1.647 400 2HB ALA 52 HB2 ALA 52 8.771 0.225 0.269 401 3HB ALA 52 HB3 ALA 52 7.726 0.187 1.688 402 H LYS 53 HN LYS 53 8.653 4.138 0.717 403 HA LYS 53 HA LYS 53 8.078 4.880 3.361 404 1HB LYS 53 HB2 LYS 53 8.312 6.719 0.963 405 2HB LYS 53 HB1 LYS 53 8.540 7.186 2.650 406 1HG LYS 53 HG2 LYS 53 10.368 5.430 2.781 407 2HG LYS 53 HG1 LYS 53 10.239 5.273 1.030 408 1HD LYS 53 HD2 LYS 53 10.938 7.521 0.670 409 2HD LYS 53 HD1 LYS 53 10.707 7.947 2.366 410 1HE LYS 53 HE2 LYS 53 12.543 6.477 3.023 411 2HE LYS 53 HE1 LYS 53 12.746 5.945 1.354 412 1HZ LYS 53 HZ1 LYS 53 12.789 8.804 1.682 413 2HZ LYS 53 HZ2 LYS 53 13.848 7.793 0.820 414 3HZ LYS 53 HZ3 LYS 53 14.052 8.014 2.492 415 H ASP 54 HN ASP 54 6.428 6.506 0.601 416 HA ASP 54 HA ASP 54 4.222 7.569 1.935 417 1HB ASP 54 HB2 ASP 54 4.948 7.381 -0.673 418 2HB ASP 54 HB1 ASP 54 3.655 6.187 -0.650 419 H LEU 55 HN LEU 55 4.278 4.315 0.441 420 HA LEU 55 HA LEU 55 1.806 3.375 1.221 421 1HB LEU 55 HB2 LEU 55 4.483 1.996 1.145 422 2HB LEU 55 HB1 LEU 55 3.042 1.111 1.641 423 HG LEU 55 HG LEU 55 1.934 1.699 -0.475 424 1HD1 LEU 55 HD11 LEU 55 2.875 3.821 -1.015 425 2HD1 LEU 55 HD12 LEU 55 3.446 2.726 -2.273 426 3HD1 LEU 55 HD13 LEU 55 4.520 3.189 -0.954 427 1HD2 LEU 55 HD21 LEU 55 4.700 0.641 -1.096 428 2HD2 LEU 55 HD22 LEU 55 3.180 0.227 -1.887 429 3HD2 LEU 55 HD23 LEU 55 3.493 -0.318 -0.239 430 H GLN 56 HN GLN 56 4.579 3.930 3.309 431 HA GLN 56 HA GLN 56 3.574 2.585 5.626 432 1HB GLN 56 HB2 GLN 56 5.952 3.566 5.112 433 2HB GLN 56 HB1 GLN 56 5.301 5.051 5.801 434 1HG GLN 56 HG2 GLN 56 5.390 2.343 7.169 435 2HG GLN 56 HG1 GLN 56 6.418 3.727 7.542 436 1HE2 GLN 56 HE21 GLN 56 4.519 5.827 7.472 437 2HE2 GLN 56 HE22 GLN 56 3.381 5.588 8.709 438 H ASP 57 HN ASP 57 3.664 6.116 4.976 439 HA ASP 57 HA ASP 57 1.618 6.558 7.059 440 1HB ASP 57 HB2 ASP 57 3.525 8.170 6.550 441 2HB ASP 57 HB1 ASP 57 2.631 8.591 5.086 442 H LEU 58 HN LEU 58 1.262 5.369 4.045 443 HA LEU 58 HA LEU 58 -1.146 6.997 3.379 444 1HB LEU 58 HB2 LEU 58 0.490 6.202 1.593 445 2HB LEU 58 HB1 LEU 58 -0.042 4.562 1.938 446 HG LEU 58 HG LEU 58 -2.231 6.536 1.401 447 1HD1 LEU 58 HD11 LEU 58 -0.311 5.599 -0.747 448 2HD1 LEU 58 HD12 LEU 58 -0.695 7.265 -0.313 449 3HD1 LEU 58 HD13 LEU 58 -1.917 6.249 -1.078 450 1HD2 LEU 58 HD21 LEU 58 -1.643 3.715 0.438 451 2HD2 LEU 58 HD22 LEU 58 -3.134 4.604 0.131 452 3HD2 LEU 58 HD23 LEU 58 -2.705 4.145 1.776 453 H LEU 59 HN LEU 59 -0.153 3.997 4.790 454 HA LEU 59 HA LEU 59 -2.935 2.932 4.875 455 1HB LEU 59 HB2 LEU 59 -1.171 1.322 4.347 456 2HB LEU 59 HB1 LEU 59 -0.243 1.825 5.756 457 HG LEU 59 HG LEU 59 -1.970 0.956 7.253 458 1HD1 LEU 59 HD11 LEU 59 -3.822 -0.453 6.072 459 2HD1 LEU 59 HD12 LEU 59 -3.452 0.532 4.659 460 3HD1 LEU 59 HD13 LEU 59 -4.017 1.296 6.143 461 1HD2 LEU 59 HD21 LEU 59 -1.875 -1.488 6.489 462 2HD2 LEU 59 HD22 LEU 59 -0.324 -0.666 6.648 463 3HD2 LEU 59 HD23 LEU 59 -1.037 -0.903 5.053 464 H GLN 60 HN GLN 60 -0.596 4.596 6.849 465 HA GLN 60 HA GLN 60 -2.119 4.031 9.325 466 1HB GLN 60 HB2 GLN 60 0.315 5.743 8.788 467 2HB GLN 60 HB1 GLN 60 -0.383 5.465 10.381 468 1HG GLN 60 HG2 GLN 60 -0.103 2.976 9.947 469 2HG GLN 60 HG1 GLN 60 0.852 3.414 8.530 470 1HE2 GLN 60 HE21 GLN 60 1.762 2.074 11.080 471 2HE2 GLN 60 HE22 GLN 60 2.997 3.067 11.686 472 H TYR 61 HN TYR 61 -1.877 6.507 6.872 473 HA TYR 61 HA TYR 61 -3.382 8.452 8.585 474 1HB TYR 61 HB2 TYR 61 -1.210 9.127 7.412 475 2HB TYR 61 HB1 TYR 61 -2.109 9.006 5.899 476 HD1 TYR 61 HD1 TYR 61 -3.887 10.580 5.352 477 HD2 TYR 61 HD2 TYR 61 -1.773 10.839 9.083 478 HE1 TYR 61 HE1 TYR 61 -4.835 12.839 5.733 479 HE2 TYR 61 HE2 TYR 61 -2.722 13.098 9.463 480 HH TYR 61 HH TYR 61 -4.050 14.688 8.683 481 H LEU 62 HN LEU 62 -3.354 7.254 5.191 482 HA LEU 62 HA LEU 62 -5.961 8.332 4.613 483 1HB LEU 62 HB2 LEU 62 -4.069 7.338 3.005 484 2HB LEU 62 HB1 LEU 62 -4.985 5.849 3.218 485 HG LEU 62 HG LEU 62 -7.067 7.374 2.637 486 1HD1 LEU 62 HD11 LEU 62 -5.882 9.515 2.621 487 2HD1 LEU 62 HD12 LEU 62 -6.445 9.148 0.992 488 3HD1 LEU 62 HD13 LEU 62 -4.750 8.909 1.412 489 1HD2 LEU 62 HD21 LEU 62 -6.661 6.919 0.195 490 2HD2 LEU 62 HD22 LEU 62 -6.377 5.520 1.230 491 3HD2 LEU 62 HD23 LEU 62 -5.012 6.446 0.606 492 H CYS 63 HN CYS 63 -4.946 5.368 6.165 493 HA CYS 63 HA CYS 63 -7.814 4.519 6.290 494 1HB CYS 63 HB2 CYS 63 -5.493 2.802 7.162 495 2HB CYS 63 HB1 CYS 63 -7.091 2.311 6.608 496 HG CYS 63 HG CYS 63 -5.547 1.967 4.568 497 H SER 64 HN SER 64 -6.607 2.857 8.725 498 HA SER 64 HA SER 64 -5.916 4.914 10.638 499 1HB SER 64 HB2 SER 64 -8.539 3.507 11.170 500 2HB SER 64 HB1 SER 64 -7.852 4.882 12.030 501 HG SER 64 HG SER 64 -9.447 4.867 9.890 502 H SER 65 HN SER 65 -5.830 3.919 12.921 503 HA SER 65 HA SER 65 -4.017 1.888 13.092 504 1HB SER 65 HB2 SER 65 -6.309 2.388 15.004 505 2HB SER 65 HB1 SER 65 -4.899 1.401 15.377 506 HG SER 65 HG SER 65 -4.655 4.048 14.421 507 H LEU 66 HN LEU 66 -7.515 1.160 13.648 508 HA LEU 66 HA LEU 66 -7.335 -1.591 13.686 509 1HB LEU 66 HB2 LEU 66 -9.411 -0.298 14.066 510 2HB LEU 66 HB1 LEU 66 -9.500 0.053 12.343 511 HG LEU 66 HG LEU 66 -9.663 -2.381 11.869 512 1HD1 LEU 66 HD11 LEU 66 -9.353 -2.525 14.863 513 2HD1 LEU 66 HD12 LEU 66 -8.604 -3.522 13.615 514 3HD1 LEU 66 HD13 LEU 66 -10.298 -3.760 14.029 515 1HD2 LEU 66 HD21 LEU 66 -11.715 -1.076 12.115 516 2HD2 LEU 66 HD22 LEU 66 -11.668 -1.284 13.866 517 3HD2 LEU 66 HD23 LEU 66 -11.953 -2.675 12.820 518 H VAL 67 HN VAL 67 -8.474 0.017 10.716 519 HA VAL 67 HA VAL 67 -8.375 -1.942 8.947 520 HB VAL 67 HB VAL 67 -7.056 0.710 8.312 521 1HG1 VAL 67 HG11 VAL 67 -8.449 -1.382 6.621 522 2HG1 VAL 67 HG12 VAL 67 -6.777 -0.837 6.485 523 3HG1 VAL 67 HG13 VAL 67 -8.096 0.250 6.051 524 1HG2 VAL 67 HG21 VAL 67 -9.398 1.368 7.674 525 2HG2 VAL 67 HG22 VAL 67 -9.195 1.087 9.403 526 3HG2 VAL 67 HG23 VAL 67 -9.967 -0.137 8.395 527 H ALA 68 HN ALA 68 -5.406 -0.024 9.602 528 HA ALA 68 HA ALA 68 -3.513 -1.487 8.146 529 1HB ALA 68 HB1 ALA 68 -3.103 -0.315 10.907 530 2HB ALA 68 HB2 ALA 68 -3.082 0.628 9.417 531 3HB ALA 68 HB3 ALA 68 -1.860 -0.614 9.691 532 H SER 69 HN SER 69 -4.879 -2.157 11.334 533 HA SER 69 HA SER 69 -3.228 -4.236 12.215 534 1HB SER 69 HB2 SER 69 -6.228 -4.376 12.469 535 2HB SER 69 HB1 SER 69 -4.998 -4.892 13.618 536 HG SER 69 HG SER 69 -4.553 -2.354 13.148 537 H LEU 70 HN LEU 70 -6.336 -4.761 10.512 538 HA LEU 70 HA LEU 70 -5.404 -7.415 9.696 539 1HB LEU 70 HB2 LEU 70 -8.062 -5.997 9.444 540 2HB LEU 70 HB1 LEU 70 -7.750 -7.528 8.631 541 HG LEU 70 HG LEU 70 -7.156 -8.535 10.842 542 1HD1 LEU 70 HD11 LEU 70 -7.967 -5.776 11.771 543 2HD1 LEU 70 HD12 LEU 70 -6.508 -6.682 12.172 544 3HD1 LEU 70 HD13 LEU 70 -8.061 -7.173 12.843 545 1HD2 LEU 70 HD21 LEU 70 -9.901 -7.260 10.599 546 2HD2 LEU 70 HD22 LEU 70 -9.509 -8.598 11.679 547 3HD2 LEU 70 HD23 LEU 70 -9.411 -8.817 9.932 548 H HIS 71 HN HIS 71 -5.756 -4.317 8.054 549 HA HIS 71 HA HIS 71 -5.955 -5.289 5.542 550 1HB HIS 71 HB2 HIS 71 -5.891 -2.963 5.525 551 2HB HIS 71 HB1 HIS 71 -4.571 -2.902 6.675 552 HD1 HIS 71 HD1 HIS 71 -2.131 -3.240 5.715 553 HD2 HIS 71 HD2 HIS 71 -5.104 -2.901 2.821 554 HE1 HIS 71 HE1 HIS 71 -0.945 -2.822 3.517 555 H HIS 72 HN HIS 72 -2.917 -4.544 7.265 556 HA HIS 72 HA HIS 72 -1.159 -5.760 5.415 557 1HB HIS 72 HB2 HIS 72 -0.293 -4.144 7.043 558 2HB HIS 72 HB1 HIS 72 -0.764 -5.194 8.381 559 HD1 HIS 72 HD1 HIS 72 1.212 -5.853 5.170 560 HD2 HIS 72 HD2 HIS 72 1.537 -6.405 9.289 561 HE1 HIS 72 HE1 HIS 72 3.397 -7.074 5.559 562 H GLN 73 HN GLN 73 -2.736 -6.983 8.355 563 HA GLN 73 HA GLN 73 -1.590 -9.459 8.745 564 1HB GLN 73 HB2 GLN 73 -3.645 -8.642 9.882 565 2HB GLN 73 HB1 GLN 73 -4.574 -9.081 8.443 566 1HG GLN 73 HG2 GLN 73 -4.760 -10.852 10.059 567 2HG GLN 73 HG1 GLN 73 -3.752 -11.425 8.727 568 1HE2 GLN 73 HE21 GLN 73 -2.315 -12.835 9.837 569 2HE2 GLN 73 HE22 GLN 73 -1.320 -12.344 11.122 570 H GLN 74 HN GLN 74 -3.864 -8.625 6.091 571 HA GLN 74 HA GLN 74 -3.975 -11.072 4.824 572 1HB GLN 74 HB2 GLN 74 -3.677 -8.343 3.533 573 2HB GLN 74 HB1 GLN 74 -4.149 -9.796 2.656 574 1HG GLN 74 HG2 GLN 74 -5.623 -8.758 5.090 575 2HG GLN 74 HG1 GLN 74 -6.093 -8.384 3.432 576 1HE2 GLN 74 HE21 GLN 74 -6.310 -10.496 1.993 577 2HE2 GLN 74 HE22 GLN 74 -7.080 -11.814 2.736 578 H LEU 75 HN LEU 75 -1.785 -8.363 3.740 579 HA LEU 75 HA LEU 75 0.373 -9.604 2.410 580 1HB LEU 75 HB2 LEU 75 0.173 -7.341 4.361 581 2HB LEU 75 HB1 LEU 75 1.739 -7.863 3.761 582 HG LEU 75 HG LEU 75 -0.479 -7.372 1.772 583 1HD1 LEU 75 HD11 LEU 75 0.172 -4.997 1.625 584 2HD1 LEU 75 HD12 LEU 75 1.234 -5.200 3.019 585 3HD1 LEU 75 HD13 LEU 75 -0.511 -5.371 3.205 586 1HD2 LEU 75 HD21 LEU 75 1.462 -6.649 0.388 587 2HD2 LEU 75 HD22 LEU 75 1.654 -8.296 0.984 588 3HD2 LEU 75 HD23 LEU 75 2.531 -6.974 1.751 589 H ASP 76 HN ASP 76 0.489 -9.133 5.961 590 HA ASP 76 HA ASP 76 2.645 -10.352 6.875 591 1HB ASP 76 HB2 ASP 76 0.584 -9.917 8.190 592 2HB ASP 76 HB1 ASP 76 0.009 -11.513 7.725 593 H SER 77 HN SER 77 -0.099 -12.487 6.231 594 HA SER 77 HA SER 77 1.568 -14.831 5.788 595 1HB SER 77 HB2 SER 77 -1.413 -14.318 5.684 596 2HB SER 77 HB1 SER 77 -0.679 -15.900 5.396 597 HG SER 77 HG SER 77 0.366 -14.848 7.613 598 H LEU 78 HN LEU 78 -0.299 -12.544 3.766 599 HA LEU 78 HA LEU 78 -0.577 -14.095 1.520 600 1HB LEU 78 HB2 LEU 78 -0.964 -11.431 2.028 601 2HB LEU 78 HB1 LEU 78 0.386 -11.332 0.901 602 HG LEU 78 HG LEU 78 -2.079 -12.978 0.350 603 1HD1 LEU 78 HD11 LEU 78 -2.679 -10.570 0.676 604 2HD1 LEU 78 HD12 LEU 78 -2.914 -11.102 -0.988 605 3HD1 LEU 78 HD13 LEU 78 -1.501 -10.138 -0.563 606 1HD2 LEU 78 HD21 LEU 78 -1.271 -12.982 -1.913 607 2HD2 LEU 78 HD22 LEU 78 0.113 -13.370 -0.890 608 3HD2 LEU 78 HD23 LEU 78 -0.068 -11.744 -1.549 609 H ILE 79 HN ILE 79 2.247 -12.113 2.495 610 HA ILE 79 HA ILE 79 4.096 -12.801 0.477 611 HB ILE 79 HB ILE 79 4.170 -12.003 3.377 612 1HG1 ILE 79 HG12 ILE 79 3.881 -10.270 1.666 613 2HG1 ILE 79 HG11 ILE 79 5.425 -10.077 2.486 614 1HG2 ILE 79 HG21 ILE 79 5.984 -13.530 3.406 615 2HG2 ILE 79 HG22 ILE 79 6.709 -11.939 3.182 616 3HG2 ILE 79 HG23 ILE 79 6.535 -13.030 1.806 617 1HD1 ILE 79 HD11 ILE 79 6.250 -9.921 0.364 618 2HD1 ILE 79 HD12 ILE 79 4.857 -10.737 -0.341 619 3HD1 ILE 79 HD13 ILE 79 6.159 -11.682 0.374 620 H SER 80 HN SER 80 3.583 -14.345 3.702 621 HA SER 80 HA SER 80 5.287 -16.523 3.365 622 1HB SER 80 HB2 SER 80 4.025 -17.679 4.987 623 2HB SER 80 HB1 SER 80 3.689 -15.984 5.336 624 HG SER 80 HG SER 80 1.703 -16.761 5.188 625 H GLU 81 HN GLU 81 1.904 -16.281 2.157 626 HA GLU 81 HA GLU 81 2.108 -18.858 0.830 627 1HB GLU 81 HB2 GLU 81 -0.030 -17.874 1.670 628 2HB GLU 81 HB1 GLU 81 0.088 -16.646 0.410 629 1HG GLU 81 HG2 GLU 81 0.019 -18.354 -1.325 630 2HG GLU 81 HG1 GLU 81 0.044 -19.633 -0.111 631 H ALA 82 HN ALA 82 2.678 -15.489 -0.109 632 HA ALA 82 HA ALA 82 2.357 -15.934 -2.827 633 1HB ALA 82 HB1 ALA 82 4.185 -13.846 -1.619 634 2HB ALA 82 HB2 ALA 82 2.433 -13.695 -1.772 635 3HB ALA 82 HB3 ALA 82 3.445 -13.781 -3.216 636 H GLU 83 HN GLU 83 5.154 -16.074 -0.711 637 HA GLU 83 HA GLU 83 7.138 -16.433 -2.790 638 1HB GLU 83 HB2 GLU 83 8.706 -16.918 -0.917 639 2HB GLU 83 HB1 GLU 83 7.779 -15.448 -0.628 640 1HG GLU 83 HG2 GLU 83 7.619 -16.580 1.428 641 2HG GLU 83 HG1 GLU 83 6.110 -17.008 0.625 642 H THR 84 HN THR 84 5.203 -18.554 -0.758 643 HA THR 84 HA THR 84 6.586 -20.992 -1.164 644 HB THR 84 HB THR 84 3.675 -21.319 -1.320 645 HG1 THR 84 HG1 THR 84 3.302 -19.458 -0.391 646 1HG2 THR 84 HG21 THR 84 5.463 -22.844 -0.263 647 2HG2 THR 84 HG22 THR 84 3.985 -22.587 0.665 648 3HG2 THR 84 HG23 THR 84 5.456 -21.712 1.091 649 H ARG 85 HN ARG 85 4.032 -19.404 -3.078 650 HA ARG 85 HA ARG 85 3.498 -21.088 -5.111 651 1HB ARG 85 HB2 ARG 85 2.445 -19.020 -5.273 652 2HB ARG 85 HB1 ARG 85 3.940 -18.124 -5.115 653 1HG ARG 85 HG2 ARG 85 3.460 -19.876 -7.523 654 2HG ARG 85 HG1 ARG 85 2.775 -18.257 -7.457 655 1HD ARG 85 HD2 ARG 85 5.460 -17.839 -6.735 656 2HD ARG 85 HD1 ARG 85 5.566 -19.075 -7.979 657 HE ARG 85 HE ARG 85 5.137 -16.344 -8.480 658 1HH1 ARG 85 HH21 ARG 85 3.566 -19.339 -9.176 659 2HH1 ARG 85 HH22 ARG 85 2.765 -18.736 -10.584 660 1HH2 ARG 85 HH11 ARG 85 4.110 -15.556 -10.318 661 2HH2 ARG 85 HH12 ARG 85 3.075 -16.600 -11.233 662 H GLY 86 HN GLY 86 6.460 -19.047 -4.923 663 1HA GLY 86 HA2 GLY 86 8.556 -20.205 -5.711 664 2HA GLY 86 HA1 GLY 86 7.648 -20.682 -7.145 665 H ILE 87 HN ILE 87 8.160 -17.596 -5.342 666 HA ILE 87 HA ILE 87 8.034 -16.023 -7.787 667 HB ILE 87 HB ILE 87 8.845 -15.434 -4.928 668 1HG1 ILE 87 HG12 ILE 87 6.655 -14.232 -6.640 669 2HG1 ILE 87 HG11 ILE 87 6.412 -15.675 -5.655 670 1HG2 ILE 87 HG21 ILE 87 9.176 -13.702 -7.373 671 2HG2 ILE 87 HG22 ILE 87 10.269 -13.911 -6.005 672 3HG2 ILE 87 HG23 ILE 87 8.803 -12.957 -5.818 673 1HD1 ILE 87 HD11 ILE 87 5.683 -13.846 -4.305 674 2HD1 ILE 87 HD12 ILE 87 7.094 -12.878 -4.728 675 3HD1 ILE 87 HD13 ILE 87 7.271 -14.281 -3.678 676 H THR 88 HN THR 88 10.682 -15.983 -5.503 677 HA THR 88 HA THR 88 12.643 -16.776 -7.600 678 HB THR 88 HB THR 88 13.108 -14.218 -6.058 679 HG1 THR 88 HG1 THR 88 11.666 -14.667 -8.431 680 1HG2 THR 88 HG21 THR 88 14.161 -15.218 -8.719 681 2HG2 THR 88 HG22 THR 88 15.010 -15.400 -7.185 682 3HG2 THR 88 HG23 THR 88 14.707 -13.791 -7.839 683 H SER 89 HN SER 89 11.911 -18.234 -5.334 684 HA SER 89 HA SER 89 12.849 -19.238 -3.418 685 1HB SER 89 HB2 SER 89 15.127 -19.777 -3.612 686 2HB SER 89 HB1 SER 89 14.662 -19.482 -5.285 687 HG SER 89 HG SER 89 16.549 -18.344 -4.784 688 H TYR 90 HN TYR 90 12.274 -16.239 -3.535 689 HA TYR 90 HA TYR 90 12.782 -14.244 -2.358 690 1HB TYR 90 HB2 TYR 90 12.210 -14.873 0.129 691 2HB TYR 90 HB1 TYR 90 11.005 -15.117 -1.146 692 HD1 TYR 90 HD1 TYR 90 13.214 -16.736 1.260 693 HD2 TYR 90 HD2 TYR 90 10.660 -17.382 -2.131 694 HE1 TYR 90 HE1 TYR 90 13.165 -19.165 1.760 695 HE2 TYR 90 HE2 TYR 90 10.609 -19.810 -1.631 696 HH TYR 90 HH TYR 90 11.899 -21.104 1.327 697 H ASN 91 HN ASN 91 13.988 -13.040 -0.871 698 HA ASN 91 HA ASN 91 15.645 -13.986 0.999 699 1HB ASN 91 HB2 ASN 91 17.433 -14.960 -0.089 700 2HB ASN 91 HB1 ASN 91 16.887 -14.314 -1.632 701 1HD2 ASN 91 HD21 ASN 91 18.181 -12.700 -2.550 702 2HD2 ASN 91 HD22 ASN 91 19.392 -11.846 -1.721 703 HA PRO 92 HA PRO 92 16.693 -9.388 0.148 704 1HB PRO 92 HB2 PRO 92 14.524 -8.399 -1.549 705 2HB PRO 92 HB1 PRO 92 16.271 -8.267 -1.812 706 1HG PRO 92 HG2 PRO 92 14.523 -9.925 -3.294 707 2HG PRO 92 HG1 PRO 92 16.286 -10.050 -3.274 708 1HD PRO 92 HD2 PRO 92 14.286 -11.791 -1.972 709 2HD PRO 92 HD1 PRO 92 15.990 -12.139 -2.336 710 H LEU 93 HN LEU 93 13.366 -10.603 0.015 711 HA LEU 93 HA LEU 93 12.106 -8.676 1.692 712 1HB LEU 93 HB2 LEU 93 11.489 -11.612 1.973 713 2HB LEU 93 HB1 LEU 93 10.388 -10.233 1.989 714 HG LEU 93 HG LEU 93 11.434 -9.956 -0.515 715 1HD1 LEU 93 HD11 LEU 93 12.659 -12.235 0.043 716 2HD1 LEU 93 HD12 LEU 93 11.982 -11.945 -1.563 717 3HD1 LEU 93 HD13 LEU 93 11.097 -12.926 -0.398 718 1HD2 LEU 93 HD21 LEU 93 9.126 -11.802 0.164 719 2HD2 LEU 93 HD22 LEU 93 9.377 -10.960 -1.367 720 3HD2 LEU 93 HD23 LEU 93 9.025 -10.041 0.096 721 H ALA 94 HN ALA 94 13.528 -11.752 2.522 722 HA ALA 94 HA ALA 94 13.833 -12.391 5.004 723 1HB ALA 94 HB1 ALA 94 16.201 -12.528 4.967 724 2HB ALA 94 HB2 ALA 94 16.318 -11.239 3.771 725 3HB ALA 94 HB3 ALA 94 15.606 -12.800 3.327 726 H GLY 95 HN GLY 95 15.376 -9.340 4.047 727 1HA GLY 95 HA2 GLY 95 15.762 -8.327 6.730 728 2HA GLY 95 HA1 GLY 95 15.835 -7.374 5.240 729 HA PRO 96 HA PRO 96 11.980 -6.305 7.379 730 1HB PRO 96 HB2 PRO 96 12.159 -3.511 6.619 731 2HB PRO 96 HB1 PRO 96 12.425 -4.203 8.226 732 1HG PRO 96 HG2 PRO 96 14.429 -3.193 6.370 733 2HG PRO 96 HG1 PRO 96 14.677 -3.803 8.011 734 1HD PRO 96 HD2 PRO 96 15.306 -5.140 5.503 735 2HD PRO 96 HD1 PRO 96 15.612 -5.717 7.151 736 H LEU 97 HN LEU 97 9.831 -5.190 6.096 737 HA LEU 97 HA LEU 97 9.974 -6.163 3.363 738 1HB LEU 97 HB2 LEU 97 7.770 -4.385 4.432 739 2HB LEU 97 HB1 LEU 97 7.652 -5.677 3.237 740 HG LEU 97 HG LEU 97 8.225 -6.028 6.195 741 1HD1 LEU 97 HD11 LEU 97 5.891 -5.544 5.828 742 2HD1 LEU 97 HD12 LEU 97 6.033 -7.284 6.082 743 3HD1 LEU 97 HD13 LEU 97 5.825 -6.645 4.452 744 1HD2 LEU 97 HD21 LEU 97 8.121 -7.968 3.874 745 2HD2 LEU 97 HD22 LEU 97 7.927 -8.489 5.548 746 3HD2 LEU 97 HD23 LEU 97 9.433 -7.730 5.029 747 H ARG 98 HN ARG 98 9.341 -2.867 4.670 748 HA ARG 98 HA ARG 98 9.353 -1.291 2.474 749 1HB ARG 98 HB2 ARG 98 10.862 -0.896 5.056 750 2HB ARG 98 HB1 ARG 98 10.835 0.357 3.816 751 1HG ARG 98 HG2 ARG 98 8.417 0.479 3.904 752 2HG ARG 98 HG1 ARG 98 8.346 -0.902 5.001 753 1HD ARG 98 HD2 ARG 98 9.746 1.713 5.633 754 2HD ARG 98 HD1 ARG 98 8.120 1.298 6.177 755 HE ARG 98 HE ARG 98 9.665 -0.831 7.043 756 1HH1 ARG 98 HH21 ARG 98 9.769 2.605 7.307 757 2HH1 ARG 98 HH22 ARG 98 10.538 2.596 8.858 758 1HH2 ARG 98 HH11 ARG 98 10.669 -0.863 9.068 759 2HH2 ARG 98 HH12 ARG 98 11.048 0.632 9.856 760 H VAL 99 HN VAL 99 11.930 -3.213 3.558 761 HA VAL 99 HA VAL 99 14.062 -1.991 1.901 762 HB VAL 99 HB VAL 99 13.886 -4.181 3.936 763 1HG1 VAL 99 HG11 VAL 99 14.818 -5.542 2.176 764 2HG1 VAL 99 HG12 VAL 99 16.180 -5.033 3.177 765 3HG1 VAL 99 HG13 VAL 99 15.873 -4.236 1.634 766 1HG2 VAL 99 HG21 VAL 99 16.037 -3.147 4.638 767 2HG2 VAL 99 HG22 VAL 99 14.778 -1.929 4.447 768 3HG2 VAL 99 HG23 VAL 99 16.009 -2.126 3.204 769 H GLN 100 HN GLN 100 12.035 -4.896 1.843 770 HA GLN 100 HA GLN 100 13.131 -6.182 -0.366 771 1HB GLN 100 HB2 GLN 100 11.211 -7.473 -0.385 772 2HB GLN 100 HB1 GLN 100 11.032 -6.714 1.191 773 1HG GLN 100 HG2 GLN 100 9.582 -4.969 0.142 774 2HG GLN 100 HG1 GLN 100 9.680 -5.852 -1.384 775 1HE2 GLN 100 HE21 GLN 100 8.238 -7.582 -1.667 776 2HE2 GLN 100 HE22 GLN 100 7.250 -8.210 -0.439 777 H ALA 101 HN ALA 101 10.518 -3.674 -0.541 778 HA ALA 101 HA ALA 101 10.962 -3.571 -3.466 779 1HB ALA 101 HB1 ALA 101 8.656 -3.509 -2.811 780 2HB ALA 101 HB2 ALA 101 9.053 -1.879 -3.355 781 3HB ALA 101 HB3 ALA 101 8.959 -2.235 -1.629 782 H ASN 102 HN ASN 102 11.536 -1.397 -0.699 783 HA ASN 102 HA ASN 102 12.246 0.858 -2.361 784 1HB ASN 102 HB2 ASN 102 11.740 0.919 0.148 785 2HB ASN 102 HB1 ASN 102 13.379 0.308 0.391 786 1HD2 ASN 102 HD21 ASN 102 15.165 1.742 -0.064 787 2HD2 ASN 102 HD22 ASN 102 14.936 3.393 -0.384 788 H ASN 103 HN ASN 103 13.430 -1.544 -3.357 789 HA ASN 103 HA ASN 103 16.353 -0.968 -3.006 790 1HB ASN 103 HB2 ASN 103 15.486 -3.172 -2.058 791 2HB ASN 103 HB1 ASN 103 15.171 -3.651 -3.726 792 1HD2 ASN 103 HD21 ASN 103 16.935 -4.445 -4.920 793 2HD2 ASN 103 HD22 ASN 103 18.548 -4.391 -4.393 794 HA PRO 104 HA PRO 104 15.158 -0.088 -7.420 795 1HB PRO 104 HB2 PRO 104 17.800 1.191 -7.573 796 2HB PRO 104 HB1 PRO 104 16.202 1.908 -7.828 797 1HG PRO 104 HG2 PRO 104 17.859 2.359 -5.586 798 2HG PRO 104 HG1 PRO 104 16.137 2.754 -5.691 799 1HD PRO 104 HD2 PRO 104 17.435 0.607 -4.168 800 2HD PRO 104 HD1 PRO 104 15.760 1.189 -4.048 801 H GLN 105 HN GLN 105 18.059 -1.521 -6.004 802 HA GLN 105 HA GLN 105 19.075 -2.557 -8.507 803 1HB GLN 105 HB2 GLN 105 19.515 -3.570 -5.678 804 2HB GLN 105 HB1 GLN 105 20.481 -4.005 -7.088 805 1HG GLN 105 HG2 GLN 105 20.134 -1.166 -6.084 806 2HG GLN 105 HG1 GLN 105 21.514 -2.191 -5.690 807 1HE2 GLN 105 HE21 GLN 105 22.824 -2.996 -7.610 808 2HE2 GLN 105 HE22 GLN 105 22.903 -2.023 -8.999 809 H GLN 106 HN GLN 106 16.465 -3.409 -6.467 810 HA GLN 106 HA GLN 106 15.929 -5.819 -8.134 811 1HB GLN 106 HB2 GLN 106 15.756 -5.806 -5.100 812 2HB GLN 106 HB1 GLN 106 15.350 -7.153 -6.162 813 1HG GLN 106 HG2 GLN 106 17.696 -7.200 -6.973 814 2HG GLN 106 HG1 GLN 106 18.093 -5.896 -5.855 815 1HE2 GLN 106 HE21 GLN 106 17.469 -6.423 -3.453 816 2HE2 GLN 106 HE22 GLN 106 17.760 -8.012 -2.934 817 H GLN 107 HN GLN 107 14.424 -4.137 -9.011 818 HA GLN 107 HA GLN 107 12.238 -3.250 -7.256 819 1HB GLN 107 HB2 GLN 107 11.374 -2.164 -9.312 820 2HB GLN 107 HB1 GLN 107 13.061 -1.748 -9.008 821 1HG GLN 107 HG2 GLN 107 13.734 -3.583 -10.584 822 2HG GLN 107 HG1 GLN 107 12.029 -3.814 -10.971 823 1HE2 GLN 107 HE21 GLN 107 14.825 -1.866 -11.636 824 2HE2 GLN 107 HE22 GLN 107 14.062 -0.750 -12.663 825 H GLY 108 HN GLY 108 12.858 -6.117 -8.917 826 1HA GLY 108 HA2 GLY 108 10.405 -6.777 -10.155 827 2HA GLY 108 HA1 GLY 108 11.442 -7.958 -9.349 828 H LEU 109 HN LEU 109 11.365 -6.963 -6.777 829 HA LEU 109 HA LEU 109 8.745 -7.913 -5.857 830 1HB LEU 109 HB2 LEU 109 11.061 -6.746 -4.297 831 2HB LEU 109 HB1 LEU 109 9.660 -7.565 -3.607 832 HG LEU 109 HG LEU 109 11.638 -8.821 -5.532 833 1HD1 LEU 109 HD11 LEU 109 12.717 -8.483 -3.431 834 2HD1 LEU 109 HD12 LEU 109 12.195 -10.169 -3.443 835 3HD1 LEU 109 HD13 LEU 109 11.277 -8.964 -2.543 836 1HD2 LEU 109 HD21 LEU 109 9.658 -10.039 -5.869 837 2HD2 LEU 109 HD22 LEU 109 9.087 -9.764 -4.223 838 3HD2 LEU 109 HD23 LEU 109 10.375 -10.929 -4.528 839 H ARG 110 HN ARG 110 9.596 -5.006 -7.105 840 HA ARG 110 HA ARG 110 7.927 -3.425 -5.173 841 1HB ARG 110 HB2 ARG 110 10.110 -2.427 -5.927 842 2HB ARG 110 HB1 ARG 110 9.529 -2.495 -7.590 843 1HG ARG 110 HG2 ARG 110 7.652 -1.014 -7.013 844 2HG ARG 110 HG1 ARG 110 8.196 -0.964 -5.336 845 1HD ARG 110 HD2 ARG 110 9.767 0.011 -7.741 846 2HD ARG 110 HD1 ARG 110 8.970 1.033 -6.543 847 HE ARG 110 HE ARG 110 10.663 -0.551 -5.030 848 1HH1 ARG 110 HH21 ARG 110 10.957 1.481 -7.800 849 2HH1 ARG 110 HH22 ARG 110 12.588 1.947 -7.449 850 1HH2 ARG 110 HH11 ARG 110 12.791 0.047 -4.557 851 2HH2 ARG 110 HH12 ARG 110 13.626 1.135 -5.613 852 H ARG 111 HN ARG 111 7.952 -4.630 -8.490 853 HA ARG 111 HA ARG 111 5.325 -3.340 -8.982 854 1HB ARG 111 HB2 ARG 111 5.421 -4.591 -11.163 855 2HB ARG 111 HB1 ARG 111 6.788 -3.510 -10.923 856 1HG ARG 111 HG2 ARG 111 8.006 -5.367 -11.531 857 2HG ARG 111 HG1 ARG 111 7.829 -5.779 -9.834 858 1HD ARG 111 HD2 ARG 111 7.097 -7.752 -10.820 859 2HD ARG 111 HD1 ARG 111 5.562 -6.894 -10.688 860 HE ARG 111 HE ARG 111 6.531 -6.119 -13.161 861 1HH1 ARG 111 HH21 ARG 111 5.964 -9.098 -11.521 862 2HH1 ARG 111 HH22 ARG 111 5.611 -9.981 -12.968 863 1HH2 ARG 111 HH11 ARG 111 6.075 -7.255 -15.060 864 2HH2 ARG 111 HH12 ARG 111 5.674 -8.937 -14.972 865 H GLU 112 HN GLU 112 6.668 -6.376 -7.934 866 HA GLU 112 HA GLU 112 4.119 -7.806 -8.198 867 1HB GLU 112 HB2 GLU 112 6.411 -8.912 -8.268 868 2HB GLU 112 HB1 GLU 112 6.524 -8.602 -6.535 869 1HG GLU 112 HG2 GLU 112 5.654 -10.817 -6.734 870 2HG GLU 112 HG1 GLU 112 4.275 -9.799 -6.316 871 H TYR 113 HN TYR 113 6.134 -6.786 -5.413 872 HA TYR 113 HA TYR 113 4.215 -7.290 -3.398 873 1HB TYR 113 HB2 TYR 113 6.618 -6.642 -3.004 874 2HB TYR 113 HB1 TYR 113 6.172 -4.978 -3.391 875 HD1 TYR 113 HD1 TYR 113 5.586 -7.785 -1.034 876 HD2 TYR 113 HD2 TYR 113 4.983 -3.608 -1.832 877 HE1 TYR 113 HE1 TYR 113 4.808 -7.453 1.296 878 HE2 TYR 113 HE2 TYR 113 4.203 -3.275 0.498 879 HH TYR 113 HH TYR 113 4.794 -5.029 2.900 880 H GLN 114 HN GLN 114 4.279 -4.796 -5.819 881 HA GLN 114 HA GLN 114 2.450 -3.022 -4.386 882 1HB GLN 114 HB2 GLN 114 3.880 -1.944 -5.961 883 2HB GLN 114 HB1 GLN 114 3.528 -3.130 -7.214 884 1HG GLN 114 HG2 GLN 114 1.235 -1.530 -6.103 885 2HG GLN 114 HG1 GLN 114 2.346 -0.726 -7.210 886 1HE2 GLN 114 HE21 GLN 114 -0.185 -3.152 -6.982 887 2HE2 GLN 114 HE22 GLN 114 -0.275 -3.487 -8.644 888 H GLN 115 HN GLN 115 2.292 -5.652 -6.711 889 HA GLN 115 HA GLN 115 -0.535 -5.288 -7.315 890 1HB GLN 115 HB2 GLN 115 1.416 -7.555 -7.776 891 2HB GLN 115 HB1 GLN 115 -0.280 -7.651 -8.252 892 1HG GLN 115 HG2 GLN 115 1.528 -5.383 -9.112 893 2HG GLN 115 HG1 GLN 115 1.325 -6.853 -10.065 894 1HE2 GLN 115 HE21 GLN 115 -1.442 -7.340 -9.693 895 2HE2 GLN 115 HE22 GLN 115 -2.326 -6.066 -10.384 896 H LEU 116 HN LEU 116 1.335 -7.078 -4.919 897 HA LEU 116 HA LEU 116 -1.038 -8.568 -3.990 898 1HB LEU 116 HB2 LEU 116 1.643 -8.319 -2.600 899 2HB LEU 116 HB1 LEU 116 0.442 -9.595 -2.407 900 HG LEU 116 HG LEU 116 1.998 -9.025 -4.948 901 1HD1 LEU 116 HD11 LEU 116 3.087 -11.203 -4.437 902 2HD1 LEU 116 HD12 LEU 116 2.225 -11.250 -2.899 903 3HD1 LEU 116 HD13 LEU 116 3.420 -9.989 -3.202 904 1HD2 LEU 116 HD21 LEU 116 -0.133 -11.037 -4.203 905 2HD2 LEU 116 HD22 LEU 116 1.005 -11.347 -5.515 906 3HD2 LEU 116 HD23 LEU 116 -0.082 -9.963 -5.601 907 H TRP 117 HN TRP 117 0.623 -5.612 -3.415 908 HA TRP 117 HA TRP 117 -0.316 -5.100 -0.735 909 1HB TRP 117 HB2 TRP 117 1.585 -3.862 -1.623 910 2HB TRP 117 HB1 TRP 117 0.613 -3.252 -2.961 911 HD1 TRP 117 HD1 TRP 117 -1.179 -1.364 -2.424 912 HE1 TRP 117 HE1 TRP 117 -1.437 0.258 -0.436 913 HE3 TRP 117 HE3 TRP 117 1.928 -3.607 0.950 914 HZ2 TRP 117 HZ2 TRP 117 -0.453 0.562 2.234 915 HZ3 TRP 117 HZ3 TRP 117 2.249 -2.632 3.206 916 HH2 TRP 117 HH2 TRP 117 1.064 -0.552 3.851 917 H LEU 118 HN LEU 118 -1.524 -4.345 -4.005 918 HA LEU 118 HA LEU 118 -3.866 -2.930 -2.987 919 1HB LEU 118 HB2 LEU 118 -3.315 -4.070 -5.739 920 2HB LEU 118 HB1 LEU 118 -4.582 -2.918 -5.329 921 HG LEU 118 HG LEU 118 -1.662 -2.326 -4.794 922 1HD1 LEU 118 HD11 LEU 118 -2.134 -2.806 -7.262 923 2HD1 LEU 118 HD12 LEU 118 -1.473 -1.213 -6.899 924 3HD1 LEU 118 HD13 LEU 118 -3.193 -1.397 -7.231 925 1HD2 LEU 118 HD21 LEU 118 -2.581 0.047 -5.018 926 2HD2 LEU 118 HD22 LEU 118 -3.130 -0.841 -3.605 927 3HD2 LEU 118 HD23 LEU 118 -4.191 -0.661 -5.001 928 H ALA 119 HN ALA 119 -2.986 -6.234 -3.607 929 HA ALA 119 HA ALA 119 -5.732 -7.212 -3.801 930 1HB ALA 119 HB1 ALA 119 -3.681 -8.508 -4.573 931 2HB ALA 119 HB2 ALA 119 -4.768 -9.421 -3.527 932 3HB ALA 119 HB3 ALA 119 -3.277 -8.744 -2.872 933 H ALA 120 HN ALA 120 -3.673 -6.140 -1.260 934 HA ALA 120 HA ALA 120 -5.476 -7.324 0.826 935 1HB ALA 120 HB1 ALA 120 -3.778 -6.298 2.404 936 2HB ALA 120 HB2 ALA 120 -2.797 -5.912 0.988 937 3HB ALA 120 HB3 ALA 120 -3.147 -7.595 1.385 938 H PHE 121 HN PHE 121 -5.165 -4.594 -1.103 939 HA PHE 121 HA PHE 121 -6.466 -2.837 0.955 940 1HB PHE 121 HB2 PHE 121 -4.201 -2.183 -0.262 941 2HB PHE 121 HB1 PHE 121 -5.275 -1.755 -1.590 942 HD1 PHE 121 HD1 PHE 121 -3.989 -0.777 1.647 943 HD2 PHE 121 HD2 PHE 121 -7.167 -0.116 -1.165 944 HE1 PHE 121 HE1 PHE 121 -4.543 1.363 2.772 945 HE2 PHE 121 HE2 PHE 121 -7.721 2.017 -0.035 946 HZ PHE 121 HZ PHE 121 -6.409 2.759 1.932 947 H ALA 122 HN ALA 122 -6.882 -4.503 -2.023 948 HA ALA 122 HA ALA 122 -9.365 -2.936 -2.664 949 1HB ALA 122 HB1 ALA 122 -7.780 -4.947 -4.300 950 2HB ALA 122 HB2 ALA 122 -7.824 -3.206 -4.565 951 3HB ALA 122 HB3 ALA 122 -9.274 -4.176 -4.829 952 H ALA 123 HN ALA 123 -8.238 -6.063 -1.604 953 HA ALA 123 HA ALA 123 -11.005 -7.150 -1.856 954 1HB ALA 123 HB1 ALA 123 -8.853 -8.540 -2.278 955 2HB ALA 123 HB2 ALA 123 -10.067 -9.251 -1.217 956 3HB ALA 123 HB3 ALA 123 -8.631 -8.492 -0.530 957 H LEU 124 HN LEU 124 -9.686 -4.941 -0.058 958 HA LEU 124 HA LEU 124 -9.709 -5.720 2.548 959 1HB LEU 124 HB2 LEU 124 -9.988 -3.199 1.115 960 2HB LEU 124 HB1 LEU 124 -10.828 -3.133 2.660 961 HG LEU 124 HG LEU 124 -7.959 -4.071 2.355 962 1HD1 LEU 124 HD11 LEU 124 -7.207 -1.887 2.964 963 2HD1 LEU 124 HD12 LEU 124 -8.850 -1.345 3.304 964 3HD1 LEU 124 HD13 LEU 124 -8.351 -1.657 1.643 965 1HD2 LEU 124 HD21 LEU 124 -9.766 -3.562 4.680 966 2HD2 LEU 124 HD22 LEU 124 -8.055 -3.235 4.864 967 3HD2 LEU 124 HD23 LEU 124 -8.590 -4.848 4.424 968 HA PRO 125 HA PRO 125 -14.525 -4.680 2.802 969 1HB PRO 125 HB2 PRO 125 -15.630 -5.219 0.178 970 2HB PRO 125 HB1 PRO 125 -15.712 -3.712 1.106 971 1HG PRO 125 HG2 PRO 125 -14.055 -4.289 -1.208 972 2HG PRO 125 HG1 PRO 125 -14.204 -2.774 -0.315 973 1HD PRO 125 HD2 PRO 125 -11.958 -4.518 -0.322 974 2HD PRO 125 HD1 PRO 125 -12.200 -3.091 0.701 975 H GLY 126 HN GLY 126 -14.023 -6.940 0.078 976 1HA GLY 126 HA2 GLY 126 -15.404 -9.023 1.658 977 2HA GLY 126 HA1 GLY 126 -14.889 -9.182 -0.026 978 H SER 127 HN SER 127 -13.254 -8.249 2.907 979 HA SER 127 HA SER 127 -12.077 -10.416 3.842 980 1HB SER 127 HB2 SER 127 -9.625 -9.760 2.508 981 2HB SER 127 HB1 SER 127 -10.537 -11.251 2.353 982 HG SER 127 HG SER 127 -11.357 -10.559 0.518 983 H ALA 128 HN ALA 128 -11.494 -9.570 5.783 984 HA ALA 128 HA ALA 128 -10.769 -7.983 7.378 985 1HB ALA 128 HB1 ALA 128 -8.741 -7.832 5.134 986 2HB ALA 128 HB2 ALA 128 -8.579 -8.586 6.720 987 3HB ALA 128 HB3 ALA 128 -8.571 -6.829 6.576 988 H LYS 129 HN LYS 129 -12.276 -6.260 7.616 989 HA LYS 129 HA LYS 129 -11.658 -3.671 6.819 990 1HB LYS 129 HB2 LYS 129 -11.962 -4.066 4.497 991 2HB LYS 129 HB1 LYS 129 -13.426 -4.993 4.781 992 1HG LYS 129 HG2 LYS 129 -14.740 -3.094 5.013 993 2HG LYS 129 HG1 LYS 129 -13.441 -2.145 5.721 994 1HD LYS 129 HD2 LYS 129 -13.172 -2.929 2.839 995 2HD LYS 129 HD1 LYS 129 -14.334 -1.662 3.250 996 1HE LYS 129 HE2 LYS 129 -12.635 -0.282 4.199 997 2HE LYS 129 HE1 LYS 129 -11.483 -1.609 4.276 998 1HZ LYS 129 HZ1 LYS 129 -11.520 0.193 2.320 999 2HZ LYS 129 HZ2 LYS 129 -12.519 -0.998 1.636 1000 3HZ LYS 129 HZ3 LYS 129 -10.938 -1.387 2.122 1001 H ASP 130 HN ASP 130 -14.405 -5.815 7.026 1002 HA ASP 130 HA ASP 130 -16.604 -5.453 8.112 1003 1HB ASP 130 HB2 ASP 130 -14.883 -5.076 10.035 1004 2HB ASP 130 HB1 ASP 130 -15.159 -3.361 9.745 1005 HA PRO 131 HA PRO 131 -16.615 -1.513 5.484 1006 1HB PRO 131 HB2 PRO 131 -18.259 -2.543 3.472 1007 2HB PRO 131 HB1 PRO 131 -16.491 -2.538 3.415 1008 1HG PRO 131 HG2 PRO 131 -18.339 -4.813 3.973 1009 2HG PRO 131 HG1 PRO 131 -16.711 -4.847 3.299 1010 1HD PRO 131 HD2 PRO 131 -17.384 -5.527 5.946 1011 2HD PRO 131 HD1 PRO 131 -15.746 -5.143 5.383 1012 H SER 132 HN SER 132 -19.132 -3.890 6.182 1013 HA SER 132 HA SER 132 -21.302 -3.592 7.118 1014 1HB SER 132 HB2 SER 132 -20.003 -1.470 8.171 1015 2HB SER 132 HB1 SER 132 -21.086 -0.604 7.087 1016 HG SER 132 HG SER 132 -21.808 -1.219 9.337 1017 H TRP 133 HN TRP 133 -20.308 -1.053 4.822 1018 HA TRP 133 HA TRP 133 -22.705 -1.767 3.135 1019 1HB TRP 133 HB2 TRP 133 -21.586 0.970 3.778 1020 2HB TRP 133 HB1 TRP 133 -22.772 0.668 2.507 1021 HD1 TRP 133 HD1 TRP 133 -22.495 1.335 6.131 1022 HE1 TRP 133 HE1 TRP 133 -24.773 1.007 7.291 1023 HE3 TRP 133 HE3 TRP 133 -25.062 -1.009 2.388 1024 HZ2 TRP 133 HZ2 TRP 133 -27.345 -0.103 6.709 1025 HZ3 TRP 133 HZ3 TRP 133 -27.422 -1.690 2.718 1026 HH2 TRP 133 HH2 TRP 133 -28.566 -1.240 4.872 1027 H ALA 134 HN ALA 134 -20.993 -3.150 2.022 1028 HA ALA 134 HA ALA 134 -18.990 -1.585 0.485 1029 1HB ALA 134 HB1 ALA 134 -19.456 -4.550 0.875 1030 2HB ALA 134 HB2 ALA 134 -18.068 -3.593 1.389 1031 3HB ALA 134 HB3 ALA 134 -18.319 -3.934 -0.323 Start of MODEL 15 1 HT1 PRO 1 HT2 PRO 1 4.383 8.233 1.042 2 HT2 PRO 1 HT1 PRO 1 3.758 9.508 1.973 3 HA PRO 1 HA PRO 1 6.419 9.078 1.052 4 1HB PRO 1 HB2 PRO 1 5.834 11.941 0.664 5 2HB PRO 1 HB1 PRO 1 6.707 10.829 -0.401 6 1HG PRO 1 HG2 PRO 1 4.082 11.827 -0.793 7 2HG PRO 1 HG1 PRO 1 4.868 10.533 -1.712 8 1HD PRO 1 HD2 PRO 1 2.706 10.298 0.206 9 2HD PRO 1 HD1 PRO 1 3.432 9.027 -0.784 10 H VAL 2 HN VAL 2 7.069 8.899 3.156 11 HA VAL 2 HA VAL 2 6.865 11.260 4.873 12 HB VAL 2 HB VAL 2 4.829 10.211 5.540 13 1HG1 VAL 2 HG11 VAL 2 4.737 7.802 6.132 14 2HG1 VAL 2 HG12 VAL 2 6.422 7.632 5.639 15 3HG1 VAL 2 HG13 VAL 2 5.191 8.052 4.446 16 1HG2 VAL 2 HG21 VAL 2 5.219 9.726 7.843 17 2HG2 VAL 2 HG22 VAL 2 6.504 10.843 7.382 18 3HG2 VAL 2 HG23 VAL 2 6.842 9.117 7.518 19 H MET 3 HN MET 3 8.700 11.488 6.038 20 HA MET 3 HA MET 3 10.714 9.283 5.946 21 1HB MET 3 HB2 MET 3 10.909 12.241 6.486 22 2HB MET 3 HB1 MET 3 12.267 11.113 6.506 23 1HG MET 3 HG2 MET 3 11.653 10.449 4.153 24 2HG MET 3 HG1 MET 3 10.447 11.734 4.153 25 1HE MET 3 HE1 MET 3 10.831 13.955 4.843 26 2HE MET 3 HE2 MET 3 12.180 14.951 4.302 27 3HE MET 3 HE3 MET 3 12.246 14.176 5.883 28 H HIS 4 HN HIS 4 11.525 8.410 7.852 29 HA HIS 4 HA HIS 4 10.844 9.635 10.457 30 1HB HIS 4 HB2 HIS 4 9.863 7.488 11.285 31 2HB HIS 4 HB1 HIS 4 8.877 8.279 10.055 32 HD1 HIS 4 HD1 HIS 4 10.165 7.428 7.479 33 HD2 HIS 4 HD2 HIS 4 9.685 4.799 10.679 34 HE1 HIS 4 HE1 HIS 4 10.231 5.091 6.503 35 HA PRO 5 HA PRO 5 15.000 7.555 10.201 36 1HB PRO 5 HB2 PRO 5 15.936 9.648 12.006 37 2HB PRO 5 HB1 PRO 5 16.441 9.326 10.341 38 1HG PRO 5 HG2 PRO 5 14.873 11.531 11.215 39 2HG PRO 5 HG1 PRO 5 15.156 11.049 9.537 40 1HD PRO 5 HD2 PRO 5 12.715 10.745 11.146 41 2HD PRO 5 HD1 PRO 5 12.918 10.546 9.392 42 H HIS 6 HN HIS 6 15.410 5.934 11.683 43 HA HIS 6 HA HIS 6 13.855 5.356 13.907 44 1HB HIS 6 HB2 HIS 6 16.815 4.762 13.604 45 2HB HIS 6 HB1 HIS 6 15.703 3.925 14.687 46 HD1 HIS 6 HD1 HIS 6 13.357 4.072 12.395 47 HD2 HIS 6 HD2 HIS 6 17.134 2.338 12.070 48 HE1 HIS 6 HE1 HIS 6 13.200 2.356 10.539 49 H GLY 7 HN GLY 7 13.420 7.207 15.182 50 1HA GLY 7 HA2 GLY 7 14.382 7.792 17.534 51 2HA GLY 7 HA1 GLY 7 15.745 8.435 16.619 52 H ALA 8 HN ALA 8 14.729 9.868 14.611 53 HA ALA 8 HA ALA 8 13.645 12.157 15.938 54 1HB ALA 8 HB1 ALA 8 14.943 11.687 13.547 55 2HB ALA 8 HB2 ALA 8 14.220 13.229 13.988 56 3HB ALA 8 HB3 ALA 8 13.320 12.085 12.990 57 HA PRO 9 HA PRO 9 9.299 11.592 15.302 58 1HB PRO 9 HB2 PRO 9 8.538 14.063 14.130 59 2HB PRO 9 HB1 PRO 9 8.729 13.760 15.865 60 1HG PRO 9 HG2 PRO 9 10.383 15.422 14.171 61 2HG PRO 9 HG1 PRO 9 10.585 15.107 15.902 62 1HD PRO 9 HD2 PRO 9 12.041 13.927 13.618 63 2HD PRO 9 HD1 PRO 9 12.474 13.932 15.343 64 HA PRO 10 HA PRO 10 8.325 10.549 11.131 65 1HB PRO 10 HB2 PRO 10 5.648 11.563 10.939 66 2HB PRO 10 HB1 PRO 10 6.138 9.910 11.333 67 1HG PRO 10 HG2 PRO 10 5.051 11.938 13.126 68 2HG PRO 10 HG1 PRO 10 5.399 10.239 13.475 69 1HD PRO 10 HD2 PRO 10 6.891 12.530 14.364 70 2HD PRO 10 HD1 PRO 10 7.284 10.822 14.624 71 H ASN 11 HN ASN 11 9.645 11.951 9.951 72 HA ASN 11 HA ASN 11 8.927 14.765 9.580 73 1HB ASN 11 HB2 ASN 11 11.137 12.963 8.651 74 2HB ASN 11 HB1 ASN 11 10.854 14.454 7.752 75 1HD2 ASN 11 HD21 ASN 11 11.445 13.253 11.093 76 2HD2 ASN 11 HD22 ASN 11 12.207 14.672 11.630 77 H HIS 12 HN HIS 12 6.734 14.280 8.752 78 HA HIS 12 HA HIS 12 6.348 12.911 6.265 79 1HB HIS 12 HB2 HIS 12 4.520 13.326 7.889 80 2HB HIS 12 HB1 HIS 12 4.626 15.051 7.532 81 HD1 HIS 12 HD1 HIS 12 5.155 12.765 4.670 82 HD2 HIS 12 HD2 HIS 12 1.958 14.831 6.370 83 HE1 HIS 12 HE1 HIS 12 3.287 12.727 2.960 84 H ARG 13 HN ARG 13 6.093 13.786 4.132 85 HA ARG 13 HA ARG 13 7.194 16.577 3.825 86 1HB ARG 13 HB2 ARG 13 8.021 15.842 1.622 87 2HB ARG 13 HB1 ARG 13 8.728 14.931 2.953 88 1HG ARG 13 HG2 ARG 13 6.561 13.354 2.400 89 2HG ARG 13 HG1 ARG 13 6.878 14.017 0.798 90 1HD ARG 13 HD2 ARG 13 8.859 12.541 2.560 91 2HD ARG 13 HD1 ARG 13 8.140 11.946 1.065 92 HE ARG 13 HE ARG 13 9.380 14.299 0.300 93 1HH1 ARG 13 HH21 ARG 13 10.284 11.439 2.000 94 2HH1 ARG 13 HH22 ARG 13 11.931 11.481 1.465 95 1HH2 ARG 13 HH11 ARG 13 11.526 14.370 -0.409 96 2HH2 ARG 13 HH12 ARG 13 12.634 13.140 0.100 97 HA PRO 14 HA PRO 14 2.846 16.670 2.256 98 1HB PRO 14 HB2 PRO 14 2.607 19.438 2.815 99 2HB PRO 14 HB1 PRO 14 1.991 18.105 3.778 100 1HG PRO 14 HG2 PRO 14 4.243 19.866 4.376 101 2HG PRO 14 HG1 PRO 14 3.474 18.662 5.421 102 1HD PRO 14 HD2 PRO 14 6.011 18.455 4.067 103 2HD PRO 14 HD1 PRO 14 5.233 17.230 5.092 104 H TRP 15 HN TRP 15 3.555 19.936 1.617 105 HA TRP 15 HA TRP 15 4.181 21.121 -0.289 106 1HB TRP 15 HB2 TRP 15 6.140 19.369 -0.183 107 2HB TRP 15 HB1 TRP 15 5.301 18.607 -1.531 108 HD1 TRP 15 HD1 TRP 15 6.549 22.146 -0.573 109 HE1 TRP 15 HE1 TRP 15 7.386 23.303 -2.720 110 HE3 TRP 15 HE3 TRP 15 5.463 18.526 -4.007 111 HZ2 TRP 15 HZ2 TRP 15 7.571 22.763 -5.523 112 HZ3 TRP 15 HZ3 TRP 15 5.979 18.873 -6.406 113 HH2 TRP 15 HH2 TRP 15 7.031 20.985 -7.168 114 H GLN 16 HN GLN 16 2.342 18.204 -0.408 115 HA GLN 16 HA GLN 16 0.432 19.293 -2.234 116 1HB GLN 16 HB2 GLN 16 0.884 17.614 -4.118 117 2HB GLN 16 HB1 GLN 16 1.994 18.979 -4.011 118 1HG GLN 16 HG2 GLN 16 3.633 17.614 -2.835 119 2HG GLN 16 HG1 GLN 16 2.509 16.256 -2.782 120 1HE2 GLN 16 HE21 GLN 16 4.454 15.206 -4.003 121 2HE2 GLN 16 HE22 GLN 16 4.461 15.356 -5.694 122 H MET 17 HN MET 17 -0.171 18.132 0.109 123 HA MET 17 HA MET 17 -0.387 15.273 -0.043 124 1HB MET 17 HB2 MET 17 -2.073 15.602 1.891 125 2HB MET 17 HB1 MET 17 -0.435 16.192 2.167 126 1HG MET 17 HG2 MET 17 -2.473 18.068 0.989 127 2HG MET 17 HG1 MET 17 -2.505 17.740 2.721 128 1HE MET 17 HE1 MET 17 -2.011 20.495 1.128 129 2HE MET 17 HE2 MET 17 -0.818 21.269 2.167 130 3HE MET 17 HE3 MET 17 -2.178 20.412 2.887 131 H LYS 18 HN LYS 18 -1.884 17.602 -1.796 132 HA LYS 18 HA LYS 18 -4.633 16.828 -1.847 133 1HB LYS 18 HB2 LYS 18 -4.725 17.894 -4.036 134 2HB LYS 18 HB1 LYS 18 -3.692 18.865 -2.988 135 1HG LYS 18 HG2 LYS 18 -1.716 17.561 -3.948 136 2HG LYS 18 HG1 LYS 18 -2.838 16.940 -5.160 137 1HD LYS 18 HD2 LYS 18 -3.447 19.405 -5.612 138 2HD LYS 18 HD1 LYS 18 -1.995 19.805 -4.693 139 1HE LYS 18 HE2 LYS 18 -2.069 18.004 -7.133 140 2HE LYS 18 HE1 LYS 18 -1.539 19.686 -7.129 141 1HZ LYS 18 HZ1 LYS 18 -0.329 17.544 -5.469 142 2HZ LYS 18 HZ2 LYS 18 0.226 19.142 -5.634 143 3HZ LYS 18 HZ3 LYS 18 0.300 18.073 -6.953 144 H ASP 19 HN ASP 19 -1.859 15.160 -2.536 145 HA ASP 19 HA ASP 19 -2.337 13.539 -4.770 146 1HB ASP 19 HB2 ASP 19 -0.265 13.527 -3.516 147 2HB ASP 19 HB1 ASP 19 -1.076 12.809 -2.125 148 H LEU 20 HN LEU 20 -2.661 12.310 -1.469 149 HA LEU 20 HA LEU 20 -4.461 10.221 -2.085 150 1HB LEU 20 HB2 LEU 20 -4.659 9.919 0.301 151 2HB LEU 20 HB1 LEU 20 -2.997 10.379 -0.067 152 HG LEU 20 HG LEU 20 -4.111 12.864 0.341 153 1HD1 LEU 20 HD11 LEU 20 -6.286 11.999 1.048 154 2HD1 LEU 20 HD12 LEU 20 -5.456 12.689 2.439 155 3HD1 LEU 20 HD13 LEU 20 -5.513 10.940 2.226 156 1HD2 LEU 20 HD21 LEU 20 -2.032 12.026 1.357 157 2HD2 LEU 20 HD22 LEU 20 -2.968 11.024 2.467 158 3HD2 LEU 20 HD23 LEU 20 -3.057 12.782 2.577 159 H GLN 21 HN GLN 21 -5.083 13.581 -1.071 160 HA GLN 21 HA GLN 21 -7.797 13.381 -0.386 161 1HB GLN 21 HB2 GLN 21 -6.551 15.555 -2.095 162 2HB GLN 21 HB1 GLN 21 -8.049 15.691 -1.178 163 1HG GLN 21 HG2 GLN 21 -5.356 15.074 0.067 164 2HG GLN 21 HG1 GLN 21 -6.070 16.686 0.005 165 1HE2 GLN 21 HE21 GLN 21 -5.513 14.991 2.427 166 2HE2 GLN 21 HE22 GLN 21 -7.010 14.811 3.206 167 H ALA 22 HN ALA 22 -6.393 13.704 -3.646 168 HA ALA 22 HA ALA 22 -8.851 13.630 -5.072 169 1HB ALA 22 HB1 ALA 22 -6.179 12.479 -5.952 170 2HB ALA 22 HB2 ALA 22 -6.654 14.168 -6.133 171 3HB ALA 22 HB3 ALA 22 -7.520 12.908 -7.013 172 H ILE 23 HN ILE 23 -6.849 10.995 -3.738 173 HA ILE 23 HA ILE 23 -8.407 8.914 -4.990 174 HB ILE 23 HB ILE 23 -6.703 8.939 -2.491 175 1HG1 ILE 23 HG12 ILE 23 -5.221 7.556 -3.821 176 2HG1 ILE 23 HG11 ILE 23 -6.430 7.400 -5.095 177 1HG2 ILE 23 HG21 ILE 23 -8.375 7.332 -1.952 178 2HG2 ILE 23 HG22 ILE 23 -7.025 6.401 -2.598 179 3HG2 ILE 23 HG23 ILE 23 -8.431 6.728 -3.608 180 1HD1 ILE 23 HD11 ILE 23 -6.197 9.668 -5.745 181 2HD1 ILE 23 HD12 ILE 23 -4.544 9.116 -5.470 182 3HD1 ILE 23 HD13 ILE 23 -5.363 10.091 -4.252 183 H LYS 24 HN LYS 24 -8.514 10.038 -1.557 184 HA LYS 24 HA LYS 24 -10.883 8.999 -0.600 185 1HB LYS 24 HB2 LYS 24 -9.829 11.831 -0.419 186 2HB LYS 24 HB1 LYS 24 -11.214 11.261 0.511 187 1HG LYS 24 HG2 LYS 24 -8.657 9.676 0.599 188 2HG LYS 24 HG1 LYS 24 -8.764 11.159 1.540 189 1HD LYS 24 HD2 LYS 24 -11.017 9.169 1.734 190 2HD LYS 24 HD1 LYS 24 -9.519 8.838 2.598 191 1HE LYS 24 HE2 LYS 24 -10.991 11.473 2.836 192 2HE LYS 24 HE1 LYS 24 -11.284 10.113 3.919 193 1HZ LYS 24 HZ1 LYS 24 -8.901 11.796 3.648 194 2HZ LYS 24 HZ2 LYS 24 -8.692 10.174 4.108 195 3HZ LYS 24 HZ3 LYS 24 -9.655 11.210 5.050 196 H GLN 25 HN GLN 25 -10.778 11.895 -2.705 197 HA GLN 25 HA GLN 25 -13.401 12.553 -2.743 198 1HB GLN 25 HB2 GLN 25 -11.512 12.368 -5.080 199 2HB GLN 25 HB1 GLN 25 -13.128 13.044 -5.248 200 1HG GLN 25 HG2 GLN 25 -12.661 14.717 -3.545 201 2HG GLN 25 HG1 GLN 25 -11.086 13.995 -3.219 202 1HE2 GLN 25 HE21 GLN 25 -10.038 16.055 -3.857 203 2HE2 GLN 25 HE22 GLN 25 -9.906 16.476 -5.496 204 H GLU 26 HN GLU 26 -11.845 9.961 -4.597 205 HA GLU 26 HA GLU 26 -14.408 8.954 -5.661 206 1HB GLU 26 HB2 GLU 26 -11.663 8.893 -6.491 207 2HB GLU 26 HB1 GLU 26 -12.224 7.228 -6.382 208 1HG GLU 26 HG2 GLU 26 -14.160 7.795 -7.816 209 2HG GLU 26 HG1 GLU 26 -13.584 9.458 -7.930 210 H VAL 27 HN VAL 27 -12.361 8.116 -2.897 211 HA VAL 27 HA VAL 27 -13.019 5.343 -2.916 212 HB VAL 27 HB VAL 27 -12.327 5.152 -0.700 213 1HG1 VAL 27 HG11 VAL 27 -10.273 6.728 -0.626 214 2HG1 VAL 27 HG12 VAL 27 -10.843 7.321 -2.182 215 3HG1 VAL 27 HG13 VAL 27 -10.426 5.624 -1.990 216 1HG2 VAL 27 HG21 VAL 27 -13.029 8.077 -0.421 217 2HG2 VAL 27 HG22 VAL 27 -11.957 7.281 0.721 218 3HG2 VAL 27 HG23 VAL 27 -13.614 6.716 0.522 219 H SER 28 HN SER 28 -14.353 8.327 -1.836 220 HA SER 28 HA SER 28 -16.672 7.567 -0.342 221 1HB SER 28 HB2 SER 28 -15.868 9.950 -0.613 222 2HB SER 28 HB1 SER 28 -16.463 9.915 -2.269 223 HG SER 28 HG SER 28 -18.337 10.375 -1.458 224 H GLN 29 HN GLN 29 -16.768 8.829 -3.664 225 HA GLN 29 HA GLN 29 -18.806 8.179 -5.074 226 1HB GLN 29 HB2 GLN 29 -16.506 8.204 -6.013 227 2HB GLN 29 HB1 GLN 29 -16.442 6.464 -5.757 228 1HG GLN 29 HG2 GLN 29 -17.198 6.760 -8.001 229 2HG GLN 29 HG1 GLN 29 -18.638 6.346 -7.071 230 1HE2 GLN 29 HE21 GLN 29 -20.355 7.838 -7.117 231 2HE2 GLN 29 HE22 GLN 29 -20.247 9.400 -7.773 232 H ALA 30 HN ALA 30 -16.867 5.418 -3.858 233 HA ALA 30 HA ALA 30 -18.975 3.441 -4.478 234 1HB ALA 30 HB1 ALA 30 -16.440 3.014 -2.884 235 2HB ALA 30 HB2 ALA 30 -16.493 2.999 -4.645 236 3HB ALA 30 HB3 ALA 30 -17.410 1.802 -3.721 237 H ALA 31 HN ALA 31 -18.665 1.671 -2.419 238 HA ALA 31 HA ALA 31 -20.401 2.811 -0.346 239 1HB ALA 31 HB1 ALA 31 -19.351 0.047 -0.018 240 2HB ALA 31 HB2 ALA 31 -20.134 0.337 -1.566 241 3HB ALA 31 HB3 ALA 31 -21.027 0.607 -0.077 242 HA PRO 32 HA PRO 32 -17.312 3.382 2.751 243 1HB PRO 32 HB2 PRO 32 -17.951 1.376 4.736 244 2HB PRO 32 HB1 PRO 32 -18.422 3.080 4.732 245 1HG PRO 32 HG2 PRO 32 -20.123 0.798 4.279 246 2HG PRO 32 HG1 PRO 32 -20.579 2.510 4.215 247 1HD PRO 32 HD2 PRO 32 -20.196 0.653 2.012 248 2HD PRO 32 HD1 PRO 32 -20.824 2.310 1.936 249 H GLY 33 HN GLY 33 -16.497 1.711 0.660 250 1HA GLY 33 HA2 GLY 33 -14.063 0.767 1.023 251 2HA GLY 33 HA1 GLY 33 -14.934 -0.493 1.901 252 H SER 34 HN SER 34 -15.788 -2.127 0.753 253 HA SER 34 HA SER 34 -16.393 -3.454 -1.050 254 1HB SER 34 HB2 SER 34 -18.024 -2.420 -2.184 255 2HB SER 34 HB1 SER 34 -17.516 -0.917 -1.434 256 HG SER 34 HG SER 34 -17.251 -1.751 -3.997 257 HA PRO 35 HA PRO 35 -12.780 -3.893 -3.746 258 1HB PRO 35 HB2 PRO 35 -14.239 -4.057 -6.246 259 2HB PRO 35 HB1 PRO 35 -13.483 -5.371 -5.334 260 1HG PRO 35 HG2 PRO 35 -16.301 -4.848 -5.613 261 2HG PRO 35 HG1 PRO 35 -15.537 -6.118 -4.647 262 1HD PRO 35 HD2 PRO 35 -16.866 -3.737 -3.689 263 2HD PRO 35 HD1 PRO 35 -16.090 -5.007 -2.724 264 H GLN 36 HN GLN 36 -15.310 -1.837 -5.166 265 HA GLN 36 HA GLN 36 -13.901 -0.326 -6.954 266 1HB GLN 36 HB2 GLN 36 -16.313 -0.072 -6.300 267 2HB GLN 36 HB1 GLN 36 -15.757 0.866 -4.919 268 1HG GLN 36 HG2 GLN 36 -14.888 2.599 -6.299 269 2HG GLN 36 HG1 GLN 36 -14.943 1.585 -7.740 270 1HE2 GLN 36 HE21 GLN 36 -17.512 0.577 -7.753 271 2HE2 GLN 36 HE22 GLN 36 -18.650 1.836 -7.806 272 H PHE 37 HN PHE 37 -13.686 0.068 -3.398 273 HA PHE 37 HA PHE 37 -12.497 2.474 -3.123 274 1HB PHE 37 HB2 PHE 37 -12.545 0.025 -1.645 275 2HB PHE 37 HB1 PHE 37 -10.936 0.708 -1.482 276 HD1 PHE 37 HD1 PHE 37 -14.371 2.229 -1.756 277 HD2 PHE 37 HD2 PHE 37 -10.766 1.852 0.555 278 HE1 PHE 37 HE1 PHE 37 -15.262 3.841 -0.097 279 HE2 PHE 37 HE2 PHE 37 -11.659 3.470 2.207 280 HZ PHE 37 HZ PHE 37 -13.907 4.463 1.882 281 H MET 38 HN MET 38 -10.987 -0.623 -3.747 282 HA MET 38 HA MET 38 -8.256 0.056 -4.166 283 1HB MET 38 HB2 MET 38 -8.950 -2.261 -3.864 284 2HB MET 38 HB1 MET 38 -9.860 -2.200 -5.373 285 1HG MET 38 HG2 MET 38 -6.970 -1.423 -5.527 286 2HG MET 38 HG1 MET 38 -7.318 -3.128 -5.262 287 1HE MET 38 HE1 MET 38 -5.776 -2.652 -7.820 288 2HE MET 38 HE2 MET 38 -6.746 -3.662 -8.889 289 3HE MET 38 HE3 MET 38 -6.502 -4.147 -7.213 290 H GLN 39 HN GLN 39 -10.967 0.055 -6.433 291 HA GLN 39 HA GLN 39 -9.681 0.317 -8.873 292 1HB GLN 39 HB2 GLN 39 -12.184 0.450 -8.292 293 2HB GLN 39 HB1 GLN 39 -11.924 2.183 -8.090 294 1HG GLN 39 HG2 GLN 39 -11.250 0.602 -10.593 295 2HG GLN 39 HG1 GLN 39 -12.687 1.604 -10.390 296 1HE2 GLN 39 HE21 GLN 39 -9.948 1.785 -12.024 297 2HE2 GLN 39 HE22 GLN 39 -9.524 3.415 -11.811 298 H THR 40 HN THR 40 -10.317 2.857 -6.472 299 HA THR 40 HA THR 40 -8.649 4.868 -7.910 300 HB THR 40 HB THR 40 -9.600 5.188 -5.073 301 HG1 THR 40 HG1 THR 40 -11.654 5.275 -5.603 302 1HG2 THR 40 HG21 THR 40 -9.994 7.460 -5.741 303 2HG2 THR 40 HG22 THR 40 -9.763 7.059 -7.442 304 3HG2 THR 40 HG23 THR 40 -8.397 6.994 -6.326 305 H ILE 41 HN ILE 41 -8.099 2.751 -5.105 306 HA ILE 41 HA ILE 41 -5.475 4.061 -4.732 307 HB ILE 41 HB ILE 41 -6.321 1.299 -3.821 308 1HG1 ILE 41 HG12 ILE 41 -7.712 3.430 -3.048 309 2HG1 ILE 41 HG11 ILE 41 -7.270 2.183 -1.886 310 1HG2 ILE 41 HG21 ILE 41 -4.555 1.823 -2.041 311 2HG2 ILE 41 HG22 ILE 41 -4.045 3.125 -3.114 312 3HG2 ILE 41 HG23 ILE 41 -3.982 1.451 -3.667 313 1HD1 ILE 41 HD11 ILE 41 -5.527 4.608 -2.383 314 2HD1 ILE 41 HD12 ILE 41 -5.451 3.477 -1.033 315 3HD1 ILE 41 HD13 ILE 41 -6.805 4.596 -1.166 316 H ARG 42 HN ARG 42 -6.835 2.111 -7.055 317 HA ARG 42 HA ARG 42 -4.461 0.547 -7.704 318 1HB ARG 42 HB2 ARG 42 -6.810 -0.138 -8.324 319 2HB ARG 42 HB1 ARG 42 -6.795 1.171 -9.505 320 1HG ARG 42 HG2 ARG 42 -4.777 0.173 -10.556 321 2HG ARG 42 HG1 ARG 42 -4.867 -1.165 -9.412 322 1HD ARG 42 HD2 ARG 42 -7.076 -1.785 -10.268 323 2HD ARG 42 HD1 ARG 42 -7.054 -0.408 -11.371 324 HE ARG 42 HE ARG 42 -4.753 -1.799 -12.022 325 1HH1 ARG 42 HH21 ARG 42 -8.100 -2.544 -11.670 326 2HH1 ARG 42 HH22 ARG 42 -8.084 -3.795 -12.868 327 1HH2 ARG 42 HH11 ARG 42 -4.712 -3.428 -13.587 328 2HH2 ARG 42 HH12 ARG 42 -6.165 -4.296 -13.953 329 H LEU 43 HN LEU 43 -6.108 3.398 -9.159 330 HA LEU 43 HA LEU 43 -3.975 3.760 -11.100 331 1HB LEU 43 HB2 LEU 43 -6.060 5.791 -10.275 332 2HB LEU 43 HB1 LEU 43 -5.200 5.693 -11.810 333 HG LEU 43 HG LEU 43 -7.162 3.632 -10.758 334 1HD1 LEU 43 HD11 LEU 43 -7.361 5.834 -12.822 335 2HD1 LEU 43 HD12 LEU 43 -8.413 5.541 -11.437 336 3HD1 LEU 43 HD13 LEU 43 -8.455 4.451 -12.823 337 1HD2 LEU 43 HD21 LEU 43 -5.444 3.806 -13.242 338 2HD2 LEU 43 HD22 LEU 43 -6.930 2.856 -13.225 339 3HD2 LEU 43 HD23 LEU 43 -5.617 2.456 -12.120 340 H ALA 44 HN ALA 44 -4.374 4.654 -7.811 341 HA ALA 44 HA ALA 44 -2.452 6.944 -8.065 342 1HB ALA 44 HB1 ALA 44 -2.942 7.418 -5.769 343 2HB ALA 44 HB2 ALA 44 -3.627 5.814 -5.510 344 3HB ALA 44 HB3 ALA 44 -4.498 6.997 -6.486 345 H VAL 45 HN VAL 45 -2.565 3.660 -6.740 346 HA VAL 45 HA VAL 45 0.233 3.928 -5.874 347 HB VAL 45 HB VAL 45 -1.709 1.602 -5.886 348 1HG1 VAL 45 HG11 VAL 45 1.179 1.748 -4.972 349 2HG1 VAL 45 HG12 VAL 45 0.498 0.654 -6.175 350 3HG1 VAL 45 HG13 VAL 45 0.064 0.475 -4.479 351 1HG2 VAL 45 HG21 VAL 45 -2.035 3.480 -4.244 352 2HG2 VAL 45 HG22 VAL 45 -0.425 3.140 -3.611 353 3HG2 VAL 45 HG23 VAL 45 -1.698 1.926 -3.482 354 H GLN 46 HN GLN 46 -1.551 2.796 -8.672 355 HA GLN 46 HA GLN 46 0.743 1.291 -9.726 356 1HB GLN 46 HB2 GLN 46 -1.647 0.653 -10.190 357 2HB GLN 46 HB1 GLN 46 -1.799 2.126 -11.149 358 1HG GLN 46 HG2 GLN 46 0.018 1.379 -12.622 359 2HG GLN 46 HG1 GLN 46 0.221 -0.080 -11.650 360 1HE2 GLN 46 HE21 GLN 46 -0.587 0.067 -14.519 361 2HE2 GLN 46 HE22 GLN 46 -2.111 -0.677 -14.612 362 H GLN 47 HN GLN 47 -0.582 4.536 -9.954 363 HA GLN 47 HA GLN 47 0.983 5.147 -12.356 364 1HB GLN 47 HB2 GLN 47 -0.727 6.870 -10.568 365 2HB GLN 47 HB1 GLN 47 0.091 7.458 -12.013 366 1HG GLN 47 HG2 GLN 47 -1.757 5.067 -12.090 367 2HG GLN 47 HG1 GLN 47 -2.346 6.714 -12.318 368 1HE2 GLN 47 HE21 GLN 47 -1.937 4.289 -14.248 369 2HE2 GLN 47 HE22 GLN 47 -1.112 4.977 -15.562 370 H PHE 48 HN PHE 48 0.814 6.671 -9.130 371 HA PHE 48 HA PHE 48 3.500 7.801 -9.481 372 1HB PHE 48 HB2 PHE 48 1.635 9.069 -8.411 373 2HB PHE 48 HB1 PHE 48 1.656 7.913 -7.080 374 HD1 PHE 48 HD1 PHE 48 3.582 10.554 -8.820 375 HD2 PHE 48 HD2 PHE 48 3.408 7.933 -5.421 376 HE1 PHE 48 HE1 PHE 48 5.422 11.824 -7.746 377 HE2 PHE 48 HE2 PHE 48 5.248 9.203 -4.347 378 HZ PHE 48 HZ PHE 48 6.255 11.149 -5.510 379 H ASP 49 HN ASP 49 2.453 4.782 -8.526 380 HA ASP 49 HA ASP 49 3.260 3.288 -6.767 381 1HB ASP 49 HB2 ASP 49 5.652 3.925 -8.500 382 2HB ASP 49 HB1 ASP 49 5.405 2.448 -7.570 383 HA PRO 50 HA PRO 50 5.425 6.602 -4.260 384 1HB PRO 50 HB2 PRO 50 3.777 5.668 -2.031 385 2HB PRO 50 HB1 PRO 50 3.831 7.279 -2.758 386 1HG PRO 50 HG2 PRO 50 1.719 5.384 -3.016 387 2HG PRO 50 HG1 PRO 50 1.900 6.886 -3.937 388 1HD PRO 50 HD2 PRO 50 2.299 4.131 -4.850 389 2HD PRO 50 HD1 PRO 50 2.253 5.619 -5.821 390 H THR 51 HN THR 51 6.826 6.164 -2.351 391 HA THR 51 HA THR 51 8.023 3.513 -2.489 392 HB THR 51 HB THR 51 9.528 4.358 -0.730 393 HG1 THR 51 HG1 THR 51 7.469 5.814 -0.109 394 1HG2 THR 51 HG21 THR 51 9.973 4.981 -3.060 395 2HG2 THR 51 HG22 THR 51 10.415 6.302 -1.979 396 3HG2 THR 51 HG23 THR 51 8.914 6.383 -2.901 397 H ALA 52 HN ALA 52 8.507 2.555 -0.037 398 HA ALA 52 HA ALA 52 5.924 1.657 0.850 399 1HB ALA 52 HB1 ALA 52 7.701 0.114 1.169 400 2HB ALA 52 HB2 ALA 52 7.328 0.681 2.797 401 3HB ALA 52 HB3 ALA 52 8.725 1.328 1.937 402 H LYS 53 HN LYS 53 7.994 4.281 1.598 403 HA LYS 53 HA LYS 53 7.386 4.963 4.255 404 1HB LYS 53 HB2 LYS 53 7.740 6.719 1.823 405 2HB LYS 53 HB1 LYS 53 7.696 7.322 3.472 406 1HG LYS 53 HG2 LYS 53 9.623 5.928 4.072 407 2HG LYS 53 HG1 LYS 53 9.659 5.262 2.439 408 1HD LYS 53 HD2 LYS 53 9.983 7.615 1.580 409 2HD LYS 53 HD1 LYS 53 10.177 8.132 3.256 410 1HE LYS 53 HE2 LYS 53 12.389 7.739 2.439 411 2HE LYS 53 HE1 LYS 53 11.996 6.352 3.455 412 1HZ LYS 53 HZ1 LYS 53 11.467 6.320 0.551 413 2HZ LYS 53 HZ2 LYS 53 11.628 5.007 1.617 414 3HZ LYS 53 HZ3 LYS 53 12.994 5.911 1.165 415 H ASP 54 HN ASP 54 5.659 6.029 1.296 416 HA ASP 54 HA ASP 54 3.426 7.355 2.431 417 1HB ASP 54 HB2 ASP 54 4.021 6.873 -0.053 418 2HB ASP 54 HB1 ASP 54 3.189 5.341 0.200 419 H LEU 55 HN LEU 55 3.847 3.825 1.953 420 HA LEU 55 HA LEU 55 1.343 3.055 2.941 421 1HB LEU 55 HB2 LEU 55 3.221 1.554 2.026 422 2HB LEU 55 HB1 LEU 55 3.881 1.580 3.659 423 HG LEU 55 HG LEU 55 1.435 0.886 4.371 424 1HD1 LEU 55 HD11 LEU 55 0.405 -0.606 2.628 425 2HD1 LEU 55 HD12 LEU 55 1.544 0.050 1.455 426 3HD1 LEU 55 HD13 LEU 55 0.350 1.104 2.209 427 1HD2 LEU 55 HD21 LEU 55 3.378 -1.000 3.003 428 2HD2 LEU 55 HD22 LEU 55 2.056 -1.516 4.050 429 3HD2 LEU 55 HD23 LEU 55 3.375 -0.548 4.708 430 H GLN 56 HN GLN 56 4.062 4.365 4.714 431 HA GLN 56 HA GLN 56 3.041 3.488 7.316 432 1HB GLN 56 HB2 GLN 56 5.132 5.550 6.571 433 2HB GLN 56 HB1 GLN 56 4.724 5.124 8.229 434 1HG GLN 56 HG2 GLN 56 5.289 2.759 7.748 435 2HG GLN 56 HG1 GLN 56 5.749 3.216 6.107 436 1HE2 GLN 56 HE21 GLN 56 7.919 2.246 7.026 437 2HE2 GLN 56 HE22 GLN 56 8.967 3.349 7.778 438 H ASP 57 HN ASP 57 3.162 6.691 5.675 439 HA ASP 57 HA ASP 57 1.245 7.772 7.664 440 1HB ASP 57 HB2 ASP 57 3.064 9.240 6.918 441 2HB ASP 57 HB1 ASP 57 2.562 9.040 5.239 442 H LEU 58 HN LEU 58 1.047 6.202 4.628 443 HA LEU 58 HA LEU 58 -1.614 7.412 4.031 444 1HB LEU 58 HB2 LEU 58 0.089 6.763 2.196 445 2HB LEU 58 HB1 LEU 58 -0.266 5.089 2.616 446 HG LEU 58 HG LEU 58 -2.784 5.833 2.291 447 1HD1 LEU 58 HD11 LEU 58 -2.372 8.220 1.988 448 2HD1 LEU 58 HD12 LEU 58 -2.977 7.544 0.478 449 3HD1 LEU 58 HD13 LEU 58 -1.259 7.891 0.661 450 1HD2 LEU 58 HD21 LEU 58 -1.705 4.159 0.890 451 2HD2 LEU 58 HD22 LEU 58 -0.837 5.411 0.001 452 3HD2 LEU 58 HD23 LEU 58 -2.590 5.278 -0.147 453 H LEU 59 HN LEU 59 -0.234 4.657 5.593 454 HA LEU 59 HA LEU 59 -2.888 3.298 5.712 455 1HB LEU 59 HB2 LEU 59 -0.667 2.031 5.388 456 2HB LEU 59 HB1 LEU 59 -0.319 2.444 7.066 457 HG LEU 59 HG LEU 59 -2.720 1.418 7.513 458 1HD1 LEU 59 HD11 LEU 59 -3.364 1.096 5.178 459 2HD1 LEU 59 HD12 LEU 59 -3.186 -0.475 5.954 460 3HD1 LEU 59 HD13 LEU 59 -1.920 0.126 4.886 461 1HD2 LEU 59 HD21 LEU 59 -1.674 -0.829 7.779 462 2HD2 LEU 59 HD22 LEU 59 -0.652 0.465 8.405 463 3HD2 LEU 59 HD23 LEU 59 -0.288 -0.267 6.843 464 H GLN 60 HN GLN 60 -0.962 5.513 7.502 465 HA GLN 60 HA GLN 60 -2.385 4.902 10.039 466 1HB GLN 60 HB2 GLN 60 -0.188 6.820 9.255 467 2HB GLN 60 HB1 GLN 60 -0.961 6.883 10.839 468 1HG GLN 60 HG2 GLN 60 -0.304 4.602 11.324 469 2HG GLN 60 HG1 GLN 60 0.310 4.385 9.685 470 1HE2 GLN 60 HE21 GLN 60 1.111 5.545 12.860 471 2HE2 GLN 60 HE22 GLN 60 2.656 6.138 12.481 472 H TYR 61 HN TYR 61 -2.583 7.110 7.343 473 HA TYR 61 HA TYR 61 -4.438 8.911 8.858 474 1HB TYR 61 HB2 TYR 61 -2.866 9.228 6.294 475 2HB TYR 61 HB1 TYR 61 -4.198 10.311 6.698 476 HD1 TYR 61 HD1 TYR 61 -3.680 12.259 7.891 477 HD2 TYR 61 HD2 TYR 61 -1.168 8.800 8.330 478 HE1 TYR 61 HE1 TYR 61 -2.171 13.542 9.384 479 HE2 TYR 61 HE2 TYR 61 0.339 10.085 9.821 480 HH TYR 61 HH TYR 61 -0.273 12.476 11.434 481 H LEU 62 HN LEU 62 -4.189 7.355 5.635 482 HA LEU 62 HA LEU 62 -6.991 7.703 5.036 483 1HB LEU 62 HB2 LEU 62 -4.975 6.988 3.454 484 2HB LEU 62 HB1 LEU 62 -5.396 5.362 3.984 485 HG LEU 62 HG LEU 62 -7.861 6.112 3.328 486 1HD1 LEU 62 HD11 LEU 62 -6.138 7.888 1.567 487 2HD1 LEU 62 HD12 LEU 62 -7.223 8.460 2.834 488 3HD1 LEU 62 HD13 LEU 62 -7.878 7.650 1.410 489 1HD2 LEU 62 HD21 LEU 62 -7.426 5.294 0.996 490 2HD2 LEU 62 HD22 LEU 62 -6.698 4.272 2.236 491 3HD2 LEU 62 HD23 LEU 62 -5.695 5.400 1.323 492 H CYS 63 HN CYS 63 -5.339 5.385 7.027 493 HA CYS 63 HA CYS 63 -7.942 3.926 7.338 494 1HB CYS 63 HB2 CYS 63 -5.351 2.981 8.543 495 2HB CYS 63 HB1 CYS 63 -6.763 2.050 8.080 496 HG CYS 63 HG CYS 63 -4.759 3.251 6.007 497 H SER 64 HN SER 64 -6.533 3.081 10.057 498 HA SER 64 HA SER 64 -6.513 5.558 11.591 499 1HB SER 64 HB2 SER 64 -8.851 5.545 11.396 500 2HB SER 64 HB1 SER 64 -8.945 3.795 11.559 501 HG SER 64 HG SER 64 -9.299 4.263 13.586 502 H SER 65 HN SER 65 -7.506 2.164 12.172 503 HA SER 65 HA SER 65 -5.049 1.639 13.676 504 1HB SER 65 HB2 SER 65 -7.717 1.775 15.112 505 2HB SER 65 HB1 SER 65 -6.229 1.136 15.805 506 HG SER 65 HG SER 65 -6.773 3.778 14.923 507 H LEU 66 HN LEU 66 -8.310 0.239 14.140 508 HA LEU 66 HA LEU 66 -7.505 -2.424 13.937 509 1HB LEU 66 HB2 LEU 66 -10.091 -0.985 13.418 510 2HB LEU 66 HB1 LEU 66 -9.986 -2.687 12.971 511 HG LEU 66 HG LEU 66 -9.092 -1.808 15.719 512 1HD1 LEU 66 HD11 LEU 66 -11.942 -2.401 14.863 513 2HD1 LEU 66 HD12 LEU 66 -11.337 -0.861 15.472 514 3HD1 LEU 66 HD13 LEU 66 -11.397 -2.267 16.535 515 1HD2 LEU 66 HD21 LEU 66 -8.622 -4.119 15.004 516 2HD2 LEU 66 HD22 LEU 66 -10.319 -4.350 14.592 517 3HD2 LEU 66 HD23 LEU 66 -9.845 -4.117 16.273 518 H VAL 67 HN VAL 67 -9.145 -0.677 11.278 519 HA VAL 67 HA VAL 67 -8.909 -2.355 9.224 520 HB VAL 67 HB VAL 67 -8.158 0.568 9.148 521 1HG1 VAL 67 HG11 VAL 67 -7.243 -0.346 7.135 522 2HG1 VAL 67 HG12 VAL 67 -8.805 0.337 6.684 523 3HG1 VAL 67 HG13 VAL 67 -8.634 -1.405 6.905 524 1HG2 VAL 67 HG21 VAL 67 -10.429 0.112 9.906 525 2HG2 VAL 67 HG22 VAL 67 -10.697 -0.972 8.540 526 3HG2 VAL 67 HG23 VAL 67 -10.491 0.758 8.266 527 H ALA 68 HN ALA 68 -6.126 -0.426 10.407 528 HA ALA 68 HA ALA 68 -4.145 -1.246 8.566 529 1HB ALA 68 HB1 ALA 68 -2.539 -0.644 10.238 530 2HB ALA 68 HB2 ALA 68 -3.685 -0.949 11.544 531 3HB ALA 68 HB3 ALA 68 -3.912 0.437 10.478 532 H SER 69 HN SER 69 -5.373 -2.840 11.494 533 HA SER 69 HA SER 69 -3.684 -5.115 11.660 534 1HB SER 69 HB2 SER 69 -6.669 -5.088 12.077 535 2HB SER 69 HB1 SER 69 -5.476 -6.150 12.808 536 HG SER 69 HG SER 69 -6.035 -3.450 13.296 537 H LEU 70 HN LEU 70 -6.954 -5.087 10.356 538 HA LEU 70 HA LEU 70 -7.279 -7.329 8.953 539 1HB LEU 70 HB2 LEU 70 -8.092 -4.675 7.825 540 2HB LEU 70 HB1 LEU 70 -8.901 -6.233 7.665 541 HG LEU 70 HG LEU 70 -8.621 -4.544 10.168 542 1HD1 LEU 70 HD11 LEU 70 -11.023 -5.657 8.689 543 2HD1 LEU 70 HD12 LEU 70 -10.455 -3.991 8.594 544 3HD1 LEU 70 HD13 LEU 70 -11.073 -4.627 10.119 545 1HD2 LEU 70 HD21 LEU 70 -8.275 -6.762 10.973 546 2HD2 LEU 70 HD22 LEU 70 -9.436 -7.441 9.832 547 3HD2 LEU 70 HD23 LEU 70 -10.000 -6.474 11.193 548 H HIS 71 HN HIS 71 -6.481 -4.405 7.075 549 HA HIS 71 HA HIS 71 -6.125 -5.724 4.815 550 1HB HIS 71 HB2 HIS 71 -6.300 -3.343 4.684 551 2HB HIS 71 HB1 HIS 71 -4.867 -3.110 5.672 552 HD1 HIS 71 HD1 HIS 71 -5.453 -5.014 2.404 553 HD2 HIS 71 HD2 HIS 71 -2.893 -2.154 4.031 554 HE1 HIS 71 HE1 HIS 71 -3.752 -4.466 0.609 555 H HIS 72 HN HIS 72 -3.349 -4.571 6.819 556 HA HIS 72 HA HIS 72 -1.471 -5.884 5.177 557 1HB HIS 72 HB2 HIS 72 -0.655 -4.101 6.633 558 2HB HIS 72 HB1 HIS 72 -1.191 -4.976 8.068 559 HD1 HIS 72 HD1 HIS 72 1.145 -5.651 5.116 560 HD2 HIS 72 HD2 HIS 72 0.868 -6.407 9.206 561 HE1 HIS 72 HE1 HIS 72 3.258 -6.889 5.760 562 H GLN 73 HN GLN 73 -3.664 -7.048 7.416 563 HA GLN 73 HA GLN 73 -2.388 -9.367 8.472 564 1HB GLN 73 HB2 GLN 73 -4.888 -8.502 8.779 565 2HB GLN 73 HB1 GLN 73 -5.215 -9.569 7.415 566 1HG GLN 73 HG2 GLN 73 -3.857 -10.406 9.996 567 2HG GLN 73 HG1 GLN 73 -5.540 -10.731 9.578 568 1HE2 GLN 73 HE21 GLN 73 -5.420 -11.543 6.939 569 2HE2 GLN 73 HE22 GLN 73 -4.439 -12.919 6.780 570 H GLN 74 HN GLN 74 -4.354 -9.048 5.501 571 HA GLN 74 HA GLN 74 -3.856 -11.460 4.313 572 1HB GLN 74 HB2 GLN 74 -3.951 -8.713 3.046 573 2HB GLN 74 HB1 GLN 74 -3.879 -10.187 2.080 574 1HG GLN 74 HG2 GLN 74 -5.923 -11.020 3.136 575 2HG GLN 74 HG1 GLN 74 -5.981 -9.605 4.187 576 1HE2 GLN 74 HE21 GLN 74 -6.324 -7.460 3.095 577 2HE2 GLN 74 HE22 GLN 74 -7.136 -7.409 1.605 578 H LEU 75 HN LEU 75 -1.953 -8.517 3.362 579 HA LEU 75 HA LEU 75 0.394 -9.547 2.230 580 1HB LEU 75 HB2 LEU 75 -0.124 -7.277 4.099 581 2HB LEU 75 HB1 LEU 75 1.531 -7.664 3.674 582 HG LEU 75 HG LEU 75 -0.520 -7.383 1.473 583 1HD1 LEU 75 HD11 LEU 75 0.218 -4.944 1.343 584 2HD1 LEU 75 HD12 LEU 75 0.833 -5.137 2.985 585 3HD1 LEU 75 HD13 LEU 75 -0.888 -5.339 2.658 586 1HD2 LEU 75 HD21 LEU 75 2.455 -6.805 1.706 587 2HD2 LEU 75 HD22 LEU 75 1.495 -6.580 0.245 588 3HD2 LEU 75 HD23 LEU 75 1.728 -8.197 0.904 589 H ASP 76 HN ASP 76 0.030 -9.100 5.762 590 HA ASP 76 HA ASP 76 2.245 -10.052 6.926 591 1HB ASP 76 HB2 ASP 76 -0.181 -9.845 7.873 592 2HB ASP 76 HB1 ASP 76 -0.241 -11.586 7.628 593 H SER 77 HN SER 77 -0.184 -12.506 6.079 594 HA SER 77 HA SER 77 1.830 -14.582 5.797 595 1HB SER 77 HB2 SER 77 -1.166 -14.513 5.404 596 2HB SER 77 HB1 SER 77 -0.179 -15.969 5.238 597 HG SER 77 HG SER 77 -0.574 -14.352 7.535 598 H LEU 78 HN LEU 78 -0.135 -12.572 3.587 599 HA LEU 78 HA LEU 78 0.015 -14.154 1.329 600 1HB LEU 78 HB2 LEU 78 -0.749 -11.529 1.788 601 2HB LEU 78 HB1 LEU 78 0.631 -11.300 0.724 602 HG LEU 78 HG LEU 78 -1.592 -13.245 0.110 603 1HD1 LEU 78 HD11 LEU 78 -2.489 -10.914 0.339 604 2HD1 LEU 78 HD12 LEU 78 -2.588 -11.518 -1.315 605 3HD1 LEU 78 HD13 LEU 78 -1.320 -10.377 -0.867 606 1HD2 LEU 78 HD21 LEU 78 0.665 -13.420 -1.034 607 2HD2 LEU 78 HD22 LEU 78 0.365 -11.821 -1.715 608 3HD2 LEU 78 HD23 LEU 78 -0.695 -13.168 -2.129 609 H ILE 79 HN ILE 79 2.426 -11.647 2.342 610 HA ILE 79 HA ILE 79 4.446 -12.252 0.505 611 HB ILE 79 HB ILE 79 4.264 -11.179 3.316 612 1HG1 ILE 79 HG12 ILE 79 3.806 -9.679 1.432 613 2HG1 ILE 79 HG11 ILE 79 5.263 -9.175 2.277 614 1HG2 ILE 79 HG21 ILE 79 6.279 -12.390 3.575 615 2HG2 ILE 79 HG22 ILE 79 6.773 -10.739 3.206 616 3HG2 ILE 79 HG23 ILE 79 6.835 -11.979 1.951 617 1HD1 ILE 79 HD11 ILE 79 4.933 -10.178 -0.485 618 2HD1 ILE 79 HD12 ILE 79 6.327 -10.838 0.365 619 3HD1 ILE 79 HD13 ILE 79 6.153 -9.095 0.178 620 H SER 80 HN SER 80 3.981 -13.539 3.829 621 HA SER 80 HA SER 80 5.990 -15.463 3.816 622 1HB SER 80 HB2 SER 80 4.854 -16.518 5.568 623 2HB SER 80 HB1 SER 80 4.151 -14.903 5.611 624 HG SER 80 HG SER 80 2.545 -15.860 4.093 625 H GLU 81 HN GLU 81 2.648 -15.876 2.507 626 HA GLU 81 HA GLU 81 3.241 -18.533 1.566 627 1HB GLU 81 HB2 GLU 81 0.957 -17.705 2.121 628 2HB GLU 81 HB1 GLU 81 1.028 -16.652 0.709 629 1HG GLU 81 HG2 GLU 81 1.274 -18.582 -0.767 630 2HG GLU 81 HG1 GLU 81 1.320 -19.669 0.622 631 H ALA 82 HN ALA 82 3.641 -15.313 0.062 632 HA ALA 82 HA ALA 82 3.678 -16.563 -2.508 633 1HB ALA 82 HB1 ALA 82 2.974 -14.302 -2.564 634 2HB ALA 82 HB2 ALA 82 4.552 -14.294 -3.362 635 3HB ALA 82 HB3 ALA 82 4.403 -13.749 -1.687 636 H GLU 83 HN GLU 83 6.150 -15.367 -0.195 637 HA GLU 83 HA GLU 83 8.320 -15.607 -1.993 638 1HB GLU 83 HB2 GLU 83 8.360 -15.706 1.043 639 2HB GLU 83 HB1 GLU 83 9.776 -15.444 0.025 640 1HG GLU 83 HG2 GLU 83 8.744 -13.399 -0.892 641 2HG GLU 83 HG1 GLU 83 7.326 -13.658 0.125 642 H THR 84 HN THR 84 6.924 -17.851 0.379 643 HA THR 84 HA THR 84 8.863 -19.913 0.219 644 HB THR 84 HB THR 84 6.935 -19.874 1.784 645 HG1 THR 84 HG1 THR 84 6.920 -22.015 1.867 646 1HG2 THR 84 HG21 THR 84 5.290 -20.958 -0.485 647 2HG2 THR 84 HG22 THR 84 5.316 -19.248 -0.070 648 3HG2 THR 84 HG23 THR 84 4.753 -20.423 1.108 649 H ARG 85 HN ARG 85 5.942 -19.264 -1.731 650 HA ARG 85 HA ARG 85 5.847 -21.359 -3.488 651 1HB ARG 85 HB2 ARG 85 4.305 -19.516 -3.678 652 2HB ARG 85 HB1 ARG 85 5.585 -18.431 -4.185 653 1HG ARG 85 HG2 ARG 85 5.005 -20.942 -5.755 654 2HG ARG 85 HG1 ARG 85 4.036 -19.497 -6.005 655 1HD ARG 85 HD2 ARG 85 6.653 -18.503 -6.157 656 2HD ARG 85 HD1 ARG 85 6.770 -20.072 -6.941 657 HE ARG 85 HE ARG 85 4.474 -18.921 -8.020 658 1HH1 ARG 85 HH21 ARG 85 7.805 -18.117 -7.660 659 2HH1 ARG 85 HH22 ARG 85 7.870 -17.164 -9.103 660 1HH2 ARG 85 HH11 ARG 85 4.539 -17.684 -9.911 661 2HH2 ARG 85 HH12 ARG 85 6.020 -16.919 -10.379 662 H GLY 86 HN GLY 86 8.273 -18.700 -3.597 663 1HA GLY 86 HA2 GLY 86 10.448 -19.853 -4.533 664 2HA GLY 86 HA1 GLY 86 9.489 -19.913 -6.013 665 H ILE 87 HN ILE 87 8.654 -17.789 -6.818 666 HA ILE 87 HA ILE 87 8.889 -15.566 -7.435 667 HB ILE 87 HB ILE 87 10.668 -15.198 -4.998 668 1HG1 ILE 87 HG12 ILE 87 8.561 -16.093 -4.225 669 2HG1 ILE 87 HG11 ILE 87 8.566 -14.355 -3.911 670 1HG2 ILE 87 HG21 ILE 87 9.367 -13.355 -6.973 671 2HG2 ILE 87 HG22 ILE 87 10.941 -13.233 -6.187 672 3HG2 ILE 87 HG23 ILE 87 9.482 -12.827 -5.295 673 1HD1 ILE 87 HD11 ILE 87 7.053 -15.887 -6.017 674 2HD1 ILE 87 HD12 ILE 87 7.397 -14.171 -6.236 675 3HD1 ILE 87 HD13 ILE 87 6.445 -14.711 -4.854 676 H THR 88 HN THR 88 10.991 -13.996 -7.727 677 HA THR 88 HA THR 88 12.641 -15.294 -9.662 678 HB THR 88 HB THR 88 13.465 -12.837 -8.088 679 HG1 THR 88 HG1 THR 88 11.449 -12.402 -8.827 680 1HG2 THR 88 HG21 THR 88 14.533 -12.249 -10.268 681 2HG2 THR 88 HG22 THR 88 14.045 -13.824 -10.893 682 3HG2 THR 88 HG23 THR 88 15.192 -13.723 -9.557 683 H SER 89 HN SER 89 12.948 -17.199 -8.046 684 HA SER 89 HA SER 89 14.239 -18.404 -6.538 685 1HB SER 89 HB2 SER 89 15.739 -18.336 -8.521 686 2HB SER 89 HB1 SER 89 16.436 -16.827 -7.938 687 HG SER 89 HG SER 89 17.773 -18.375 -7.184 688 H TYR 90 HN TYR 90 13.423 -15.559 -5.890 689 HA TYR 90 HA TYR 90 13.714 -13.957 -4.253 690 1HB TYR 90 HB2 TYR 90 14.041 -14.923 -1.992 691 2HB TYR 90 HB1 TYR 90 12.832 -15.793 -2.950 692 HD1 TYR 90 HD1 TYR 90 16.286 -15.890 -1.612 693 HD2 TYR 90 HD2 TYR 90 13.221 -18.050 -3.708 694 HE1 TYR 90 HE1 TYR 90 17.568 -17.993 -1.320 695 HE2 TYR 90 HE2 TYR 90 14.504 -20.152 -3.417 696 HH TYR 90 HH TYR 90 17.760 -20.150 -2.097 697 H ASN 91 HN ASN 91 15.205 -12.425 -3.913 698 HA ASN 91 HA ASN 91 18.053 -13.209 -3.365 699 1HB ASN 91 HB2 ASN 91 17.013 -11.847 -5.758 700 2HB ASN 91 HB1 ASN 91 18.484 -11.173 -5.035 701 1HD2 ASN 91 HD21 ASN 91 20.038 -13.180 -4.290 702 2HD2 ASN 91 HD22 ASN 91 20.293 -14.322 -5.520 703 HA PRO 92 HA PRO 92 17.740 -8.710 -1.744 704 1HB PRO 92 HB2 PRO 92 15.650 -7.092 -2.483 705 2HB PRO 92 HB1 PRO 92 17.133 -7.228 -3.446 706 1HG PRO 92 HG2 PRO 92 14.456 -8.509 -3.926 707 2HG PRO 92 HG1 PRO 92 15.609 -7.856 -5.104 708 1HD PRO 92 HD2 PRO 92 15.341 -10.564 -4.582 709 2HD PRO 92 HD1 PRO 92 16.823 -9.774 -5.166 710 H LEU 93 HN LEU 93 14.513 -10.184 -2.076 711 HA LEU 93 HA LEU 93 13.268 -8.964 0.131 712 1HB LEU 93 HB2 LEU 93 12.950 -11.940 -0.154 713 2HB LEU 93 HB1 LEU 93 11.728 -10.701 0.129 714 HG LEU 93 HG LEU 93 12.595 -9.899 -2.335 715 1HD1 LEU 93 HD11 LEU 93 12.715 -12.914 -2.476 716 2HD1 LEU 93 HD12 LEU 93 14.168 -11.928 -2.302 717 3HD1 LEU 93 HD13 LEU 93 13.142 -11.748 -3.731 718 1HD2 LEU 93 HD21 LEU 93 10.676 -11.338 -3.243 719 2HD2 LEU 93 HD22 LEU 93 10.274 -10.244 -1.920 720 3HD2 LEU 93 HD23 LEU 93 10.504 -11.965 -1.603 721 H ALA 94 HN ALA 94 15.242 -11.847 0.102 722 HA ALA 94 HA ALA 94 15.794 -12.935 2.402 723 1HB ALA 94 HB1 ALA 94 17.462 -12.640 0.486 724 2HB ALA 94 HB2 ALA 94 18.132 -12.844 2.108 725 3HB ALA 94 HB3 ALA 94 18.063 -11.240 1.376 726 H GLY 95 HN GLY 95 16.961 -9.582 2.039 727 1HA GLY 95 HA2 GLY 95 17.340 -9.155 4.886 728 2HA GLY 95 HA1 GLY 95 17.320 -7.892 3.647 729 HA PRO 96 HA PRO 96 13.457 -7.618 5.963 730 1HB PRO 96 HB2 PRO 96 13.444 -4.703 5.851 731 2HB PRO 96 HB1 PRO 96 13.711 -5.726 7.271 732 1HG PRO 96 HG2 PRO 96 15.693 -4.199 5.808 733 2HG PRO 96 HG1 PRO 96 15.951 -5.215 7.230 734 1HD PRO 96 HD2 PRO 96 16.657 -5.801 4.455 735 2HD PRO 96 HD1 PRO 96 17.031 -6.752 5.904 736 H LEU 97 HN LEU 97 11.249 -6.289 4.923 737 HA LEU 97 HA LEU 97 11.488 -6.629 2.027 738 1HB LEU 97 HB2 LEU 97 9.418 -7.045 3.641 739 2HB LEU 97 HB1 LEU 97 9.107 -5.333 3.366 740 HG LEU 97 HG LEU 97 9.400 -7.444 1.206 741 1HD1 LEU 97 HD11 LEU 97 6.981 -7.009 0.855 742 2HD1 LEU 97 HD12 LEU 97 6.985 -5.934 2.253 743 3HD1 LEU 97 HD13 LEU 97 7.304 -7.656 2.462 744 1HD2 LEU 97 HD21 LEU 97 8.953 -4.452 1.153 745 2HD2 LEU 97 HD22 LEU 97 8.446 -5.479 -0.188 746 3HD2 LEU 97 HD23 LEU 97 10.148 -5.396 0.264 747 H ARG 98 HN ARG 98 10.501 -3.845 4.067 748 HA ARG 98 HA ARG 98 10.354 -1.775 2.350 749 1HB ARG 98 HB2 ARG 98 10.947 -2.059 5.103 750 2HB ARG 98 HB1 ARG 98 12.152 -0.928 4.499 751 1HG ARG 98 HG2 ARG 98 10.262 0.365 3.421 752 2HG ARG 98 HG1 ARG 98 9.139 -0.691 4.279 753 1HD ARG 98 HD2 ARG 98 9.567 1.426 5.515 754 2HD ARG 98 HD1 ARG 98 10.078 0.007 6.428 755 HE ARG 98 HE ARG 98 12.362 0.780 5.055 756 1HH1 ARG 98 HH21 ARG 98 10.061 2.264 7.147 757 2HH1 ARG 98 HH22 ARG 98 11.195 3.388 7.818 758 1HH2 ARG 98 HH11 ARG 98 13.859 2.239 5.918 759 2HH2 ARG 98 HH12 ARG 98 13.346 3.374 7.122 760 H VAL 99 HN VAL 99 13.204 -3.432 3.282 761 HA VAL 99 HA VAL 99 15.247 -1.713 2.095 762 HB VAL 99 HB VAL 99 15.145 -4.387 3.376 763 1HG1 VAL 99 HG11 VAL 99 16.006 -5.215 1.261 764 2HG1 VAL 99 HG12 VAL 99 17.369 -5.081 2.372 765 3HG1 VAL 99 HG13 VAL 99 17.129 -3.860 1.127 766 1HG2 VAL 99 HG21 VAL 99 17.333 -3.602 4.256 767 2HG2 VAL 99 HG22 VAL 99 16.089 -2.366 4.439 768 3HG2 VAL 99 HG23 VAL 99 17.281 -2.233 3.149 769 H GLN 100 HN GLN 100 13.557 -4.609 0.874 770 HA GLN 100 HA GLN 100 14.925 -4.679 -1.585 771 1HB GLN 100 HB2 GLN 100 13.694 -6.606 -1.235 772 2HB GLN 100 HB1 GLN 100 12.340 -5.735 -0.530 773 1HG GLN 100 HG2 GLN 100 11.925 -6.787 -2.788 774 2HG GLN 100 HG1 GLN 100 11.526 -5.082 -2.648 775 1HE2 GLN 100 HE21 GLN 100 12.282 -3.855 -4.370 776 2HE2 GLN 100 HE22 GLN 100 13.659 -4.207 -5.299 777 H ALA 101 HN ALA 101 11.588 -3.331 -1.102 778 HA ALA 101 HA ALA 101 11.780 -2.103 -3.706 779 1HB ALA 101 HB1 ALA 101 9.554 -2.632 -2.998 780 2HB ALA 101 HB2 ALA 101 9.630 -0.872 -2.917 781 3HB ALA 101 HB3 ALA 101 9.779 -1.830 -1.445 782 H ASN 102 HN ASN 102 12.158 -0.695 -0.449 783 HA ASN 102 HA ASN 102 12.468 1.974 -1.487 784 1HB ASN 102 HB2 ASN 102 13.813 0.913 1.011 785 2HB ASN 102 HB1 ASN 102 13.364 2.577 0.653 786 1HD2 ASN 102 HD21 ASN 102 11.862 2.832 2.408 787 2HD2 ASN 102 HD22 ASN 102 10.405 1.965 2.493 788 H ASN 103 HN ASN 103 13.955 0.001 -3.049 789 HA ASN 103 HA ASN 103 16.794 0.541 -2.446 790 1HB ASN 103 HB2 ASN 103 15.243 -1.288 -4.227 791 2HB ASN 103 HB1 ASN 103 16.842 -0.822 -4.805 792 1HD2 ASN 103 HD21 ASN 103 18.398 -0.780 -2.532 793 2HD2 ASN 103 HD22 ASN 103 18.391 -2.294 -1.766 794 HA PRO 104 HA PRO 104 16.987 3.961 -5.168 795 1HB PRO 104 HB2 PRO 104 19.443 3.410 -6.542 796 2HB PRO 104 HB1 PRO 104 19.258 4.359 -5.059 797 1HG PRO 104 HG2 PRO 104 20.309 1.623 -5.368 798 2HG PRO 104 HG1 PRO 104 20.418 2.700 -3.968 799 1HD PRO 104 HD2 PRO 104 18.727 0.414 -4.210 800 2HD PRO 104 HD1 PRO 104 18.672 1.646 -2.931 801 H GLN 105 HN GLN 105 17.339 0.754 -6.589 802 HA GLN 105 HA GLN 105 15.689 1.667 -8.836 803 1HB GLN 105 HB2 GLN 105 17.272 0.847 -10.586 804 2HB GLN 105 HB1 GLN 105 17.921 2.218 -9.686 805 1HG GLN 105 HG2 GLN 105 19.133 0.601 -8.203 806 2HG GLN 105 HG1 GLN 105 18.582 -0.708 -9.249 807 1HE2 GLN 105 HE21 GLN 105 19.134 -0.299 -11.704 808 2HE2 GLN 105 HE22 GLN 105 20.668 0.357 -12.021 809 H GLN 106 HN GLN 106 16.741 -0.872 -6.796 810 HA GLN 106 HA GLN 106 15.876 -3.048 -8.536 811 1HB GLN 106 HB2 GLN 106 15.936 -3.094 -5.507 812 2HB GLN 106 HB1 GLN 106 16.053 -4.465 -6.608 813 1HG GLN 106 HG2 GLN 106 18.185 -3.469 -7.506 814 2HG GLN 106 HG1 GLN 106 18.094 -2.256 -6.228 815 1HE2 GLN 106 HE21 GLN 106 20.260 -3.377 -5.614 816 2HE2 GLN 106 HE22 GLN 106 20.162 -4.729 -4.592 817 H GLN 107 HN GLN 107 14.061 -1.069 -8.716 818 HA GLN 107 HA GLN 107 11.834 -1.287 -6.894 819 1HB GLN 107 HB2 GLN 107 11.942 -0.253 -9.748 820 2HB GLN 107 HB1 GLN 107 10.581 -0.035 -8.647 821 1HG GLN 107 HG2 GLN 107 11.979 1.214 -7.092 822 2HG GLN 107 HG1 GLN 107 13.407 0.908 -8.082 823 1HE2 GLN 107 HE21 GLN 107 10.058 2.061 -8.820 824 2HE2 GLN 107 HE22 GLN 107 10.569 3.408 -9.718 825 H GLY 108 HN GLY 108 12.987 -3.589 -8.981 826 1HA GLY 108 HA2 GLY 108 10.851 -4.571 -10.481 827 2HA GLY 108 HA1 GLY 108 12.008 -5.623 -9.674 828 H LEU 109 HN LEU 109 11.591 -6.043 -7.382 829 HA LEU 109 HA LEU 109 9.030 -7.170 -6.757 830 1HB LEU 109 HB2 LEU 109 11.147 -5.991 -4.967 831 2HB LEU 109 HB1 LEU 109 9.726 -6.802 -4.345 832 HG LEU 109 HG LEU 109 11.936 -8.171 -4.627 833 1HD1 LEU 109 HD11 LEU 109 10.616 -10.202 -5.281 834 2HD1 LEU 109 HD12 LEU 109 9.256 -9.142 -5.636 835 3HD1 LEU 109 HD13 LEU 109 9.888 -9.243 -3.994 836 1HD2 LEU 109 HD21 LEU 109 10.910 -8.313 -7.486 837 2HD2 LEU 109 HD22 LEU 109 12.250 -9.224 -6.801 838 3HD2 LEU 109 HD23 LEU 109 12.379 -7.480 -6.975 839 H ARG 110 HN ARG 110 10.159 -3.882 -5.843 840 HA ARG 110 HA ARG 110 7.882 -2.959 -4.584 841 1HB ARG 110 HB2 ARG 110 9.926 -1.590 -5.120 842 2HB ARG 110 HB1 ARG 110 9.309 -1.396 -6.754 843 1HG ARG 110 HG2 ARG 110 7.422 -0.148 -6.022 844 2HG ARG 110 HG1 ARG 110 7.641 -0.648 -4.353 845 1HD ARG 110 HD2 ARG 110 8.996 1.131 -3.941 846 2HD ARG 110 HD1 ARG 110 10.056 0.713 -5.278 847 HE ARG 110 HE ARG 110 8.222 2.888 -5.210 848 1HH1 ARG 110 HH21 ARG 110 9.040 0.250 -7.276 849 2HH1 ARG 110 HH22 ARG 110 8.455 1.026 -8.706 850 1HH2 ARG 110 HH11 ARG 110 7.477 3.910 -7.058 851 2HH2 ARG 110 HH12 ARG 110 7.574 3.097 -8.585 852 H ARG 111 HN ARG 111 8.147 -3.661 -8.027 853 HA ARG 111 HA ARG 111 5.413 -2.614 -8.538 854 1HB ARG 111 HB2 ARG 111 7.158 -4.317 -10.354 855 2HB ARG 111 HB1 ARG 111 5.767 -3.351 -10.834 856 1HG ARG 111 HG2 ARG 111 6.925 -1.337 -10.683 857 2HG ARG 111 HG1 ARG 111 8.083 -1.951 -9.511 858 1HD ARG 111 HD2 ARG 111 9.022 -3.425 -11.333 859 2HD ARG 111 HD1 ARG 111 7.990 -2.580 -12.481 860 HE ARG 111 HE ARG 111 10.524 -1.686 -11.458 861 1HH1 ARG 111 HH21 ARG 111 7.359 -0.496 -12.167 862 2HH1 ARG 111 HH22 ARG 111 7.853 1.163 -12.164 863 1HH2 ARG 111 HH11 ARG 111 11.170 0.457 -11.471 864 2HH2 ARG 111 HH12 ARG 111 10.004 1.701 -11.777 865 H GLU 112 HN GLU 112 7.010 -5.704 -7.953 866 HA GLU 112 HA GLU 112 4.578 -7.222 -8.491 867 1HB GLU 112 HB2 GLU 112 6.962 -8.172 -8.448 868 2HB GLU 112 HB1 GLU 112 6.867 -8.063 -6.690 869 1HG GLU 112 HG2 GLU 112 6.183 -10.287 -7.245 870 2HG GLU 112 HG1 GLU 112 4.705 -9.407 -6.852 871 H TYR 113 HN TYR 113 6.186 -5.820 -5.693 872 HA TYR 113 HA TYR 113 4.366 -6.753 -3.687 873 1HB TYR 113 HB2 TYR 113 6.568 -5.797 -3.125 874 2HB TYR 113 HB1 TYR 113 6.045 -4.226 -3.734 875 HD1 TYR 113 HD1 TYR 113 5.669 -6.707 -1.048 876 HD2 TYR 113 HD2 TYR 113 4.398 -2.881 -2.524 877 HE1 TYR 113 HE1 TYR 113 4.651 -6.196 1.155 878 HE2 TYR 113 HE2 TYR 113 3.377 -2.369 -0.323 879 HH TYR 113 HH TYR 113 4.071 -3.637 2.363 880 H GLN 114 HN GLN 114 4.078 -4.336 -6.136 881 HA GLN 114 HA GLN 114 1.935 -2.858 -4.776 882 1HB GLN 114 HB2 GLN 114 3.194 -1.479 -6.216 883 2HB GLN 114 HB1 GLN 114 3.292 -2.711 -7.469 884 1HG GLN 114 HG2 GLN 114 0.591 -1.611 -6.711 885 2HG GLN 114 HG1 GLN 114 1.643 -0.652 -7.751 886 1HE2 GLN 114 HE21 GLN 114 -0.541 -3.335 -7.687 887 2HE2 GLN 114 HE22 GLN 114 -0.301 -3.846 -9.287 888 H GLN 115 HN GLN 115 2.334 -5.556 -6.932 889 HA GLN 115 HA GLN 115 -0.454 -5.566 -7.835 890 1HB GLN 115 HB2 GLN 115 1.783 -7.598 -8.082 891 2HB GLN 115 HB1 GLN 115 0.184 -7.800 -8.799 892 1HG GLN 115 HG2 GLN 115 0.484 -5.751 -10.110 893 2HG GLN 115 HG1 GLN 115 2.057 -5.482 -9.360 894 1HE2 GLN 115 HE21 GLN 115 3.859 -6.642 -10.197 895 2HE2 GLN 115 HE22 GLN 115 3.743 -7.748 -11.479 896 H LEU 116 HN LEU 116 1.480 -7.149 -5.329 897 HA LEU 116 HA LEU 116 -0.758 -8.916 -4.585 898 1HB LEU 116 HB2 LEU 116 1.834 -8.462 -3.082 899 2HB LEU 116 HB1 LEU 116 0.748 -9.845 -2.953 900 HG LEU 116 HG LEU 116 2.281 -9.074 -5.456 901 1HD1 LEU 116 HD11 LEU 116 3.608 -11.123 -4.941 902 2HD1 LEU 116 HD12 LEU 116 2.755 -11.257 -3.403 903 3HD1 LEU 116 HD13 LEU 116 3.799 -9.869 -3.716 904 1HD2 LEU 116 HD21 LEU 116 0.391 -11.327 -4.745 905 2HD2 LEU 116 HD22 LEU 116 1.578 -11.503 -6.038 906 3HD2 LEU 116 HD23 LEU 116 0.340 -10.254 -6.145 907 H TRP 117 HN TRP 117 0.510 -5.810 -3.807 908 HA TRP 117 HA TRP 117 -0.608 -5.619 -1.136 909 1HB TRP 117 HB2 TRP 117 1.271 -4.204 -1.679 910 2HB TRP 117 HB1 TRP 117 0.452 -3.559 -3.100 911 HD1 TRP 117 HD1 TRP 117 -1.531 -3.947 0.126 912 HE1 TRP 117 HE1 TRP 117 -2.071 -1.619 1.074 913 HE3 TRP 117 HE3 TRP 117 1.357 -1.050 -2.937 914 HZ2 TRP 117 HZ2 TRP 117 -1.373 1.110 0.610 915 HZ3 TRP 117 HZ3 TRP 117 1.403 1.412 -2.653 916 HH2 TRP 117 HH2 TRP 117 0.044 2.494 -0.885 917 H LEU 118 HN LEU 118 -1.631 -4.701 -4.430 918 HA LEU 118 HA LEU 118 -4.116 -3.493 -3.461 919 1HB LEU 118 HB2 LEU 118 -3.242 -4.336 -6.241 920 2HB LEU 118 HB1 LEU 118 -4.706 -3.425 -5.874 921 HG LEU 118 HG LEU 118 -1.916 -2.491 -5.129 922 1HD1 LEU 118 HD11 LEU 118 -2.219 -2.680 -7.596 923 2HD1 LEU 118 HD12 LEU 118 -2.035 -1.008 -7.065 924 3HD1 LEU 118 HD13 LEU 118 -3.632 -1.633 -7.476 925 1HD2 LEU 118 HD21 LEU 118 -3.280 -0.236 -5.143 926 2HD2 LEU 118 HD22 LEU 118 -3.421 -1.306 -3.753 927 3HD2 LEU 118 HD23 LEU 118 -4.686 -1.287 -4.980 928 H ALA 119 HN ALA 119 -2.962 -6.660 -4.381 929 HA ALA 119 HA ALA 119 -5.634 -7.815 -4.693 930 1HB ALA 119 HB1 ALA 119 -4.489 -9.972 -4.588 931 2HB ALA 119 HB2 ALA 119 -3.039 -9.213 -3.931 932 3HB ALA 119 HB3 ALA 119 -3.521 -8.898 -5.597 933 H ALA 120 HN ALA 120 -3.713 -6.728 -2.110 934 HA ALA 120 HA ALA 120 -5.328 -8.249 -0.094 935 1HB ALA 120 HB1 ALA 120 -3.765 -6.950 1.511 936 2HB ALA 120 HB2 ALA 120 -2.815 -6.565 0.073 937 3HB ALA 120 HB3 ALA 120 -3.035 -8.246 0.559 938 H PHE 121 HN PHE 121 -5.398 -5.481 -1.954 939 HA PHE 121 HA PHE 121 -6.916 -3.930 0.116 940 1HB PHE 121 HB2 PHE 121 -4.785 -2.987 -1.225 941 2HB PHE 121 HB1 PHE 121 -6.011 -2.654 -2.446 942 HD1 PHE 121 HD1 PHE 121 -8.056 -1.291 -1.795 943 HD2 PHE 121 HD2 PHE 121 -4.585 -1.624 0.714 944 HE1 PHE 121 HE1 PHE 121 -8.775 0.719 -0.534 945 HE2 PHE 121 HE2 PHE 121 -5.304 0.388 1.975 946 HZ PHE 121 HZ PHE 121 -7.399 1.559 1.351 947 H ALA 122 HN ALA 122 -7.177 -5.618 -2.891 948 HA ALA 122 HA ALA 122 -9.910 -4.442 -3.363 949 1HB ALA 122 HB1 ALA 122 -9.307 -6.217 -5.472 950 2HB ALA 122 HB2 ALA 122 -7.772 -5.425 -5.126 951 3HB ALA 122 HB3 ALA 122 -9.187 -4.460 -5.544 952 H ALA 123 HN ALA 123 -8.289 -7.318 -2.313 953 HA ALA 123 HA ALA 123 -10.833 -8.860 -2.535 954 1HB ALA 123 HB1 ALA 123 -8.614 -9.967 -3.023 955 2HB ALA 123 HB2 ALA 123 -9.520 -10.750 -1.729 956 3HB ALA 123 HB3 ALA 123 -8.163 -9.692 -1.341 957 H LEU 124 HN LEU 124 -9.872 -6.453 -0.750 958 HA LEU 124 HA LEU 124 -9.683 -7.232 1.838 959 1HB LEU 124 HB2 LEU 124 -10.428 -4.772 0.458 960 2HB LEU 124 HB1 LEU 124 -11.117 -4.837 2.081 961 HG LEU 124 HG LEU 124 -8.194 -5.334 1.478 962 1HD1 LEU 124 HD11 LEU 124 -8.943 -3.022 0.806 963 2HD1 LEU 124 HD12 LEU 124 -7.749 -3.037 2.102 964 3HD1 LEU 124 HD13 LEU 124 -9.451 -2.770 2.474 965 1HD2 LEU 124 HD21 LEU 124 -9.752 -4.790 3.999 966 2HD2 LEU 124 HD22 LEU 124 -8.005 -4.636 3.913 967 3HD2 LEU 124 HD23 LEU 124 -8.748 -6.195 3.632 968 HA PRO 125 HA PRO 125 -14.577 -6.555 2.362 969 1HB PRO 125 HB2 PRO 125 -15.845 -7.120 -0.126 970 2HB PRO 125 HB1 PRO 125 -15.793 -5.565 0.729 971 1HG PRO 125 HG2 PRO 125 -14.227 -6.439 -1.624 972 2HG PRO 125 HG1 PRO 125 -14.509 -4.805 -1.014 973 1HD PRO 125 HD2 PRO 125 -12.095 -6.157 -0.816 974 2HD PRO 125 HD1 PRO 125 -12.579 -4.792 0.205 975 H GLY 126 HN GLY 126 -14.035 -8.797 -0.345 976 1HA GLY 126 HA2 GLY 126 -15.269 -10.909 1.319 977 2HA GLY 126 HA1 GLY 126 -14.819 -11.071 -0.392 978 H SER 127 HN SER 127 -13.296 -10.313 2.715 979 HA SER 127 HA SER 127 -11.982 -12.656 3.127 980 1HB SER 127 HB2 SER 127 -10.681 -11.496 0.924 981 2HB SER 127 HB1 SER 127 -9.619 -11.098 2.259 982 HG SER 127 HG SER 127 -8.962 -13.071 1.780 983 H ALA 128 HN ALA 128 -10.684 -9.345 3.192 984 HA ALA 128 HA ALA 128 -10.602 -9.524 6.201 985 1HB ALA 128 HB1 ALA 128 -8.345 -9.609 5.519 986 2HB ALA 128 HB2 ALA 128 -8.608 -7.902 5.871 987 3HB ALA 128 HB3 ALA 128 -8.601 -8.469 4.196 988 H LYS 129 HN LYS 129 -12.499 -8.178 6.624 989 HA LYS 129 HA LYS 129 -12.201 -5.368 6.359 990 1HB LYS 129 HB2 LYS 129 -12.632 -6.058 3.910 991 2HB LYS 129 HB1 LYS 129 -14.241 -6.478 4.434 992 1HG LYS 129 HG2 LYS 129 -14.794 -4.227 4.925 993 2HG LYS 129 HG1 LYS 129 -13.111 -3.736 4.982 994 1HD LYS 129 HD2 LYS 129 -13.442 -4.671 2.350 995 2HD LYS 129 HD1 LYS 129 -14.976 -3.869 2.694 996 1HE LYS 129 HE2 LYS 129 -12.190 -2.680 2.937 997 2HE LYS 129 HE1 LYS 129 -13.424 -2.252 1.753 998 1HZ LYS 129 HZ1 LYS 129 -13.752 -0.638 3.313 999 2HZ LYS 129 HZ2 LYS 129 -13.285 -1.626 4.614 1000 3HZ LYS 129 HZ3 LYS 129 -14.818 -1.817 3.905 1001 H ASP 130 HN ASP 130 -14.379 -4.314 6.613 1002 HA ASP 130 HA ASP 130 -16.527 -5.890 7.857 1003 1HB ASP 130 HB2 ASP 130 -14.952 -5.214 9.730 1004 2HB ASP 130 HB1 ASP 130 -15.266 -3.531 9.302 1005 HA PRO 131 HA PRO 131 -17.546 -2.206 5.192 1006 1HB PRO 131 HB2 PRO 131 -18.839 -3.644 3.171 1007 2HB PRO 131 HB1 PRO 131 -17.129 -3.201 3.156 1008 1HG PRO 131 HG2 PRO 131 -18.309 -5.870 3.510 1009 2HG PRO 131 HG1 PRO 131 -16.612 -5.445 3.243 1010 1HD PRO 131 HD2 PRO 131 -17.924 -6.168 5.758 1011 2HD PRO 131 HD1 PRO 131 -16.205 -5.907 5.462 1012 H SER 132 HN SER 132 -19.501 -5.087 5.834 1013 HA SER 132 HA SER 132 -21.749 -5.246 6.687 1014 1HB SER 132 HB2 SER 132 -21.046 -2.801 7.633 1015 2HB SER 132 HB1 SER 132 -22.245 -2.312 6.441 1016 HG SER 132 HG SER 132 -23.307 -2.751 8.345 1017 H TRP 133 HN TRP 133 -21.031 -2.856 4.173 1018 HA TRP 133 HA TRP 133 -23.124 -4.188 2.464 1019 1HB TRP 133 HB2 TRP 133 -23.760 -1.910 3.618 1020 2HB TRP 133 HB1 TRP 133 -22.776 -1.195 2.346 1021 HD1 TRP 133 HD1 TRP 133 -25.557 -3.893 2.542 1022 HE1 TRP 133 HE1 TRP 133 -27.148 -3.553 0.543 1023 HE3 TRP 133 HE3 TRP 133 -23.277 0.066 0.264 1024 HZ2 TRP 133 HZ2 TRP 133 -27.417 -1.831 -1.724 1025 HZ3 TRP 133 HZ3 TRP 133 -24.220 1.036 -1.812 1026 HH2 TRP 133 HH2 TRP 133 -26.286 0.094 -2.808 1027 H ALA 134 HN ALA 134 -21.226 -5.212 1.423 1028 HA ALA 134 HA ALA 134 -19.549 -3.342 -0.205 1029 1HB ALA 134 HB1 ALA 134 -19.179 -6.299 0.381 1030 2HB ALA 134 HB2 ALA 134 -18.323 -4.984 1.186 1031 3HB ALA 134 HB3 ALA 134 -18.061 -5.285 -0.532 Start of MODEL 16 1 HT1 PRO 1 HT2 PRO 1 5.196 8.531 0.081 2 HT2 PRO 1 HT1 PRO 1 4.877 9.740 1.233 3 HA PRO 1 HA PRO 1 7.283 8.478 0.834 4 1HB PRO 1 HB2 PRO 1 8.373 10.969 0.192 5 2HB PRO 1 HB1 PRO 1 8.194 9.618 -0.931 6 1HG PRO 1 HG2 PRO 1 6.653 12.122 -0.800 7 2HG PRO 1 HG1 PRO 1 6.783 10.955 -2.127 8 1HD PRO 1 HD2 PRO 1 4.583 11.259 -0.340 9 2HD PRO 1 HD1 PRO 1 4.806 9.979 -1.539 10 H VAL 2 HN VAL 2 8.193 8.632 2.799 11 HA VAL 2 HA VAL 2 8.026 11.082 4.391 12 HB VAL 2 HB VAL 2 5.989 10.289 5.224 13 1HG1 VAL 2 HG11 VAL 2 5.464 7.936 5.612 14 2HG1 VAL 2 HG12 VAL 2 7.100 7.471 5.155 15 3HG1 VAL 2 HG13 VAL 2 6.008 8.160 3.952 16 1HG2 VAL 2 HG21 VAL 2 7.819 10.499 7.017 17 2HG2 VAL 2 HG22 VAL 2 7.866 8.737 7.018 18 3HG2 VAL 2 HG23 VAL 2 6.385 9.577 7.465 19 H MET 3 HN MET 3 9.833 11.273 5.597 20 HA MET 3 HA MET 3 11.783 9.012 5.551 21 1HB MET 3 HB2 MET 3 11.996 11.979 5.990 22 2HB MET 3 HB1 MET 3 13.354 10.858 6.113 23 1HG MET 3 HG2 MET 3 11.609 10.782 3.641 24 2HG MET 3 HG1 MET 3 12.838 12.047 3.804 25 1HE MET 3 HE1 MET 3 15.018 11.826 2.926 26 2HE MET 3 HE2 MET 3 14.058 11.137 1.619 27 3HE MET 3 HE3 MET 3 15.580 10.379 2.078 28 H HIS 4 HN HIS 4 12.599 8.150 7.443 29 HA HIS 4 HA HIS 4 11.951 9.395 10.057 30 1HB HIS 4 HB2 HIS 4 11.082 7.174 10.888 31 2HB HIS 4 HB1 HIS 4 10.021 7.988 9.738 32 HD1 HIS 4 HD1 HIS 4 12.813 6.752 7.873 33 HD2 HIS 4 HD2 HIS 4 9.336 5.019 9.386 34 HE1 HIS 4 HE1 HIS 4 12.474 4.592 6.594 35 HA PRO 5 HA PRO 5 16.150 7.407 9.676 36 1HB PRO 5 HB2 PRO 5 17.156 9.593 11.317 37 2HB PRO 5 HB1 PRO 5 17.546 9.219 9.632 38 1HG PRO 5 HG2 PRO 5 15.971 11.414 10.559 39 2HG PRO 5 HG1 PRO 5 16.197 10.912 8.877 40 1HD PRO 5 HD2 PRO 5 13.828 10.588 10.574 41 2HD PRO 5 HD1 PRO 5 13.980 10.315 8.826 42 H HIS 6 HN HIS 6 17.061 6.106 11.306 43 HA HIS 6 HA HIS 6 15.578 5.308 13.515 44 1HB HIS 6 HB2 HIS 6 17.606 4.135 12.655 45 2HB HIS 6 HB1 HIS 6 18.608 5.385 13.394 46 HD1 HIS 6 HD1 HIS 6 18.851 5.369 15.960 47 HD2 HIS 6 HD2 HIS 6 16.331 2.374 14.527 48 HE1 HIS 6 HE1 HIS 6 18.419 3.805 17.905 49 H GLY 7 HN GLY 7 15.056 6.251 15.422 50 1HA GLY 7 HA2 GLY 7 15.002 7.846 17.142 51 2HA GLY 7 HA1 GLY 7 16.763 7.750 17.083 52 H ALA 8 HN ALA 8 14.020 9.263 15.348 53 HA ALA 8 HA ALA 8 15.344 11.834 15.443 54 1HB ALA 8 HB1 ALA 8 14.856 11.144 12.597 55 2HB ALA 8 HB2 ALA 8 16.164 10.235 13.348 56 3HB ALA 8 HB3 ALA 8 16.222 11.995 13.325 57 HA PRO 9 HA PRO 9 11.171 13.051 14.673 58 1HB PRO 9 HB2 PRO 9 11.421 15.237 12.929 59 2HB PRO 9 HB1 PRO 9 11.666 15.304 14.682 60 1HG PRO 9 HG2 PRO 9 13.678 15.563 12.586 61 2HG PRO 9 HG1 PRO 9 13.892 15.746 14.334 62 1HD PRO 9 HD2 PRO 9 14.571 13.447 12.632 63 2HD PRO 9 HD1 PRO 9 15.029 13.749 14.324 64 HA PRO 10 HA PRO 10 10.037 11.335 10.714 65 1HB PRO 10 HB2 PRO 10 7.367 12.228 10.563 66 2HB PRO 10 HB1 PRO 10 7.900 10.746 11.370 67 1HG PRO 10 HG2 PRO 10 7.014 13.294 12.584 68 2HG PRO 10 HG1 PRO 10 7.145 11.692 13.327 69 1HD PRO 10 HD2 PRO 10 8.949 13.884 13.694 70 2HD PRO 10 HD1 PRO 10 9.176 12.206 14.240 71 H ASN 11 HN ASN 11 11.015 12.417 9.030 72 HA ASN 11 HA ASN 11 10.296 15.247 8.497 73 1HB ASN 11 HB2 ASN 11 12.539 13.426 7.698 74 2HB ASN 11 HB1 ASN 11 12.156 14.776 6.631 75 1HD2 ASN 11 HD21 ASN 11 12.969 16.809 7.234 76 2HD2 ASN 11 HD22 ASN 11 13.678 17.151 8.738 77 H HIS 12 HN HIS 12 8.116 14.802 7.734 78 HA HIS 12 HA HIS 12 7.550 13.029 5.579 79 1HB HIS 12 HB2 HIS 12 6.076 15.612 6.130 80 2HB HIS 12 HB1 HIS 12 5.431 14.118 5.450 81 HD1 HIS 12 HD1 HIS 12 5.306 15.895 8.471 82 HD2 HIS 12 HD2 HIS 12 6.018 11.887 7.583 83 HE1 HIS 12 HE1 HIS 12 4.820 14.595 10.590 84 H ARG 13 HN ARG 13 7.764 13.273 3.392 85 HA ARG 13 HA ARG 13 9.245 15.620 2.402 86 1HB ARG 13 HB2 ARG 13 8.423 12.924 1.362 87 2HB ARG 13 HB1 ARG 13 8.950 14.141 0.210 88 1HG ARG 13 HG2 ARG 13 11.119 14.256 1.149 89 2HG ARG 13 HG1 ARG 13 10.607 13.479 2.648 90 1HD ARG 13 HD2 ARG 13 11.910 11.949 1.153 91 2HD ARG 13 HD1 ARG 13 10.283 11.355 1.492 92 HE ARG 13 HE ARG 13 9.990 12.803 -0.855 93 1HH1 ARG 13 HH21 ARG 13 12.016 10.256 0.282 94 2HH1 ARG 13 HH22 ARG 13 12.201 9.527 -1.278 95 1HH2 ARG 13 HH11 ARG 13 10.220 11.867 -2.898 96 2HH2 ARG 13 HH12 ARG 13 11.184 10.439 -3.079 97 HA PRO 14 HA PRO 14 5.834 17.902 0.770 98 1HB PRO 14 HB2 PRO 14 6.796 17.680 -2.021 99 2HB PRO 14 HB1 PRO 14 6.620 19.124 -1.012 100 1HG PRO 14 HG2 PRO 14 9.066 17.799 -1.661 101 2HG PRO 14 HG1 PRO 14 8.856 19.106 -0.487 102 1HD PRO 14 HD2 PRO 14 9.464 16.340 0.069 103 2HD PRO 14 HD1 PRO 14 9.209 17.643 1.242 104 H TRP 15 HN TRP 15 4.104 16.346 1.002 105 HA TRP 15 HA TRP 15 3.909 14.178 -1.028 106 1HB TRP 15 HB2 TRP 15 1.839 13.711 0.715 107 2HB TRP 15 HB1 TRP 15 3.465 13.075 0.933 108 HD1 TRP 15 HD1 TRP 15 4.712 13.760 3.040 109 HE1 TRP 15 HE1 TRP 15 4.323 15.471 4.927 110 HE3 TRP 15 HE3 TRP 15 0.685 16.265 1.148 111 HZ2 TRP 15 HZ2 TRP 15 2.541 17.617 5.553 112 HZ3 TRP 15 HZ3 TRP 15 -0.338 18.136 2.409 113 HH2 TRP 15 HH2 TRP 15 0.583 18.815 4.608 114 H GLN 16 HN GLN 16 2.485 17.236 -0.226 115 HA GLN 16 HA GLN 16 0.423 18.222 -0.887 116 1HB GLN 16 HB2 GLN 16 0.343 18.241 -3.469 117 2HB GLN 16 HB1 GLN 16 1.768 18.921 -2.689 118 1HG GLN 16 HG2 GLN 16 3.016 16.861 -3.078 119 2HG GLN 16 HG1 GLN 16 1.580 16.087 -3.750 120 1HE2 GLN 16 HE21 GLN 16 2.972 19.369 -4.300 121 2HE2 GLN 16 HE22 GLN 16 3.084 19.196 -5.985 122 H MET 17 HN MET 17 -0.817 16.281 0.179 123 HA MET 17 HA MET 17 -1.618 14.088 -1.362 124 1HB MET 17 HB2 MET 17 -2.997 15.425 0.979 125 2HB MET 17 HB1 MET 17 -3.536 13.891 0.294 126 1HG MET 17 HG2 MET 17 -1.307 12.916 0.725 127 2HG MET 17 HG1 MET 17 -0.775 14.447 1.421 128 1HE MET 17 HE1 MET 17 -0.141 12.453 3.355 129 2HE MET 17 HE2 MET 17 -0.962 13.011 4.810 130 3HE MET 17 HE3 MET 17 -0.254 14.184 3.701 131 H LYS 18 HN LYS 18 -2.182 17.056 -2.380 132 HA LYS 18 HA LYS 18 -4.978 17.287 -2.824 133 1HB LYS 18 HB2 LYS 18 -4.387 18.770 -4.677 134 2HB LYS 18 HB1 LYS 18 -3.303 19.079 -3.320 135 1HG LYS 18 HG2 LYS 18 -1.686 17.429 -4.401 136 2HG LYS 18 HG1 LYS 18 -2.717 17.496 -5.831 137 1HD LYS 18 HD2 LYS 18 -2.435 19.991 -5.842 138 2HD LYS 18 HD1 LYS 18 -1.272 19.820 -4.527 139 1HE LYS 18 HE2 LYS 18 0.123 18.360 -5.949 140 2HE LYS 18 HE1 LYS 18 -1.035 18.542 -7.268 141 1HZ LYS 18 HZ1 LYS 18 0.879 20.064 -7.427 142 2HZ LYS 18 HZ2 LYS 18 0.400 20.794 -5.970 143 3HZ LYS 18 HZ3 LYS 18 -0.605 20.881 -7.337 144 H ASP 19 HN ASP 19 -2.608 15.173 -4.172 145 HA ASP 19 HA ASP 19 -4.488 14.321 -6.334 146 1HB ASP 19 HB2 ASP 19 -2.131 14.699 -7.033 147 2HB ASP 19 HB1 ASP 19 -1.594 13.518 -5.838 148 H LEU 20 HN LEU 20 -2.878 13.170 -3.376 149 HA LEU 20 HA LEU 20 -4.039 10.516 -3.677 150 1HB LEU 20 HB2 LEU 20 -2.949 11.936 -1.222 151 2HB LEU 20 HB1 LEU 20 -3.589 10.286 -1.210 152 HG LEU 20 HG LEU 20 -1.882 9.527 -2.724 153 1HD1 LEU 20 HD11 LEU 20 -1.258 12.466 -3.013 154 2HD1 LEU 20 HD12 LEU 20 -1.582 11.281 -4.280 155 3HD1 LEU 20 HD13 LEU 20 -0.057 11.236 -3.402 156 1HD2 LEU 20 HD21 LEU 20 -0.434 11.359 -0.805 157 2HD2 LEU 20 HD22 LEU 20 0.027 9.739 -1.326 158 3HD2 LEU 20 HD23 LEU 20 -1.344 9.959 -0.239 159 H GLN 21 HN GLN 21 -5.091 13.690 -2.886 160 HA GLN 21 HA GLN 21 -7.362 12.952 -1.259 161 1HB GLN 21 HB2 GLN 21 -6.447 15.254 -1.238 162 2HB GLN 21 HB1 GLN 21 -6.825 15.420 -2.953 163 1HG GLN 21 HG2 GLN 21 -9.212 15.157 -2.485 164 2HG GLN 21 HG1 GLN 21 -8.869 14.890 -0.775 165 1HE2 GLN 21 HE21 GLN 21 -9.718 16.785 0.179 166 2HE2 GLN 21 HE22 GLN 21 -9.245 18.357 -0.255 167 H ALA 22 HN ALA 22 -6.717 13.658 -4.677 168 HA ALA 22 HA ALA 22 -9.277 13.404 -5.808 169 1HB ALA 22 HB1 ALA 22 -7.153 13.824 -7.076 170 2HB ALA 22 HB2 ALA 22 -8.173 12.592 -7.819 171 3HB ALA 22 HB3 ALA 22 -6.751 12.117 -6.890 172 H ILE 23 HN ILE 23 -7.204 11.053 -4.313 173 HA ILE 23 HA ILE 23 -8.841 8.721 -5.119 174 HB ILE 23 HB ILE 23 -6.224 9.218 -3.759 175 1HG1 ILE 23 HG12 ILE 23 -5.451 7.452 -5.236 176 2HG1 ILE 23 HG11 ILE 23 -7.104 7.089 -5.718 177 1HG2 ILE 23 HG21 ILE 23 -6.256 6.669 -3.143 178 2HG2 ILE 23 HG22 ILE 23 -7.999 6.902 -3.070 179 3HG2 ILE 23 HG23 ILE 23 -6.945 7.844 -2.027 180 1HD1 ILE 23 HD11 ILE 23 -7.346 9.156 -6.860 181 2HD1 ILE 23 HD12 ILE 23 -5.727 8.607 -7.289 182 3HD1 ILE 23 HD13 ILE 23 -5.937 9.854 -6.061 183 H LYS 24 HN LYS 24 -8.485 11.024 -2.516 184 HA LYS 24 HA LYS 24 -10.147 9.428 -0.660 185 1HB LYS 24 HB2 LYS 24 -8.121 10.994 0.016 186 2HB LYS 24 HB1 LYS 24 -9.298 12.280 -0.249 187 1HG LYS 24 HG2 LYS 24 -10.867 10.991 1.300 188 2HG LYS 24 HG1 LYS 24 -9.486 9.985 1.721 189 1HD LYS 24 HD2 LYS 24 -9.204 12.983 1.917 190 2HD LYS 24 HD1 LYS 24 -10.084 12.127 3.176 191 1HE LYS 24 HE2 LYS 24 -7.736 12.333 3.811 192 2HE LYS 24 HE1 LYS 24 -8.122 10.640 3.510 193 1HZ LYS 24 HZ1 LYS 24 -6.006 11.538 2.483 194 2HZ LYS 24 HZ2 LYS 24 -7.003 12.392 1.405 195 3HZ LYS 24 HZ3 LYS 24 -7.051 10.694 1.448 196 H GLN 25 HN GLN 25 -10.639 11.066 -3.406 197 HA GLN 25 HA GLN 25 -13.093 12.419 -2.441 198 1HB GLN 25 HB2 GLN 25 -11.336 13.367 -4.185 199 2HB GLN 25 HB1 GLN 25 -12.217 12.361 -5.332 200 1HG GLN 25 HG2 GLN 25 -13.342 14.569 -3.595 201 2HG GLN 25 HG1 GLN 25 -13.213 14.561 -5.352 202 1HE2 GLN 25 HE21 GLN 25 -14.517 12.766 -6.483 203 2HE2 GLN 25 HE22 GLN 25 -15.991 12.302 -5.780 204 H GLU 26 HN GLU 26 -11.786 9.914 -4.489 205 HA GLU 26 HA GLU 26 -14.291 8.904 -5.553 206 1HB GLU 26 HB2 GLU 26 -11.476 7.826 -5.395 207 2HB GLU 26 HB1 GLU 26 -12.798 6.842 -6.024 208 1HG GLU 26 HG2 GLU 26 -12.153 9.614 -7.061 209 2HG GLU 26 HG1 GLU 26 -11.499 8.141 -7.778 210 H VAL 27 HN VAL 27 -12.695 8.695 -2.491 211 HA VAL 27 HA VAL 27 -14.359 6.309 -1.722 212 HB VAL 27 HB VAL 27 -11.819 6.464 -1.074 213 1HG1 VAL 27 HG11 VAL 27 -12.867 8.240 1.125 214 2HG1 VAL 27 HG12 VAL 27 -12.253 8.945 -0.363 215 3HG1 VAL 27 HG13 VAL 27 -11.199 7.940 0.641 216 1HG2 VAL 27 HG21 VAL 27 -13.726 6.217 1.265 217 2HG2 VAL 27 HG22 VAL 27 -12.243 5.314 0.967 218 3HG2 VAL 27 HG23 VAL 27 -13.675 4.998 -0.005 219 H SER 28 HN SER 28 -14.088 9.782 -1.626 220 HA SER 28 HA SER 28 -16.020 9.903 0.591 221 1HB SER 28 HB2 SER 28 -15.761 12.259 0.537 222 2HB SER 28 HB1 SER 28 -14.156 11.635 0.190 223 HG SER 28 HG SER 28 -16.100 12.508 -1.689 224 H GLN 29 HN GLN 29 -16.137 8.807 -2.277 225 HA GLN 29 HA GLN 29 -18.394 10.344 -3.495 226 1HB GLN 29 HB2 GLN 29 -16.453 10.009 -4.930 227 2HB GLN 29 HB1 GLN 29 -16.550 8.266 -4.681 228 1HG GLN 29 HG2 GLN 29 -18.673 8.139 -5.789 229 2HG GLN 29 HG1 GLN 29 -18.840 9.895 -5.802 230 1HE2 GLN 29 HE21 GLN 29 -17.325 11.119 -7.238 231 2HE2 GLN 29 HE22 GLN 29 -16.641 10.347 -8.586 232 H ALA 30 HN ALA 30 -17.187 7.115 -2.612 233 HA ALA 30 HA ALA 30 -19.865 5.879 -3.081 234 1HB ALA 30 HB1 ALA 30 -17.772 4.817 -3.967 235 2HB ALA 30 HB2 ALA 30 -18.708 3.764 -2.914 236 3HB ALA 30 HB3 ALA 30 -17.251 4.552 -2.303 237 H ALA 31 HN ALA 31 -19.092 3.781 -1.186 238 HA ALA 31 HA ALA 31 -20.241 4.990 1.262 239 1HB ALA 31 HB1 ALA 31 -20.416 2.460 -0.047 240 2HB ALA 31 HB2 ALA 31 -21.186 2.911 1.469 241 3HB ALA 31 HB3 ALA 31 -19.594 2.149 1.479 242 HA PRO 32 HA PRO 32 -16.478 5.186 3.520 243 1HB PRO 32 HB2 PRO 32 -16.988 3.201 5.583 244 2HB PRO 32 HB1 PRO 32 -17.088 4.961 5.718 245 1HG PRO 32 HG2 PRO 32 -19.280 3.064 5.598 246 2HG PRO 32 HG1 PRO 32 -19.375 4.824 5.780 247 1HD PRO 32 HD2 PRO 32 -20.058 3.279 3.460 248 2HD PRO 32 HD1 PRO 32 -20.061 5.046 3.599 249 H GLY 33 HN GLY 33 -15.457 4.133 1.639 250 1HA GLY 33 HA2 GLY 33 -13.536 2.575 1.381 251 2HA GLY 33 HA1 GLY 33 -14.485 1.361 2.245 252 H SER 34 HN SER 34 -15.723 0.027 1.079 253 HA SER 34 HA SER 34 -16.761 -0.989 -0.711 254 1HB SER 34 HB2 SER 34 -18.414 0.391 -1.407 255 2HB SER 34 HB1 SER 34 -17.539 1.734 -0.690 256 HG SER 34 HG SER 34 -18.030 1.794 -3.048 257 HA PRO 35 HA PRO 35 -13.820 -1.658 -3.889 258 1HB PRO 35 HB2 PRO 35 -15.497 -1.862 -6.196 259 2HB PRO 35 HB1 PRO 35 -14.991 -3.181 -5.132 260 1HG PRO 35 HG2 PRO 35 -17.622 -1.880 -5.312 261 2HG PRO 35 HG1 PRO 35 -17.185 -3.386 -4.491 262 1HD PRO 35 HD2 PRO 35 -17.766 -0.884 -3.246 263 2HD PRO 35 HD1 PRO 35 -17.106 -2.334 -2.463 264 H GLN 36 HN GLN 36 -15.808 1.126 -4.077 265 HA GLN 36 HA GLN 36 -14.842 2.259 -6.553 266 1HB GLN 36 HB2 GLN 36 -16.849 3.047 -5.185 267 2HB GLN 36 HB1 GLN 36 -15.687 3.809 -4.095 268 1HG GLN 36 HG2 GLN 36 -16.323 5.502 -5.669 269 2HG GLN 36 HG1 GLN 36 -14.714 4.965 -6.151 270 1HE2 GLN 36 HE21 GLN 36 -14.726 5.021 -8.415 271 2HE2 GLN 36 HE22 GLN 36 -15.926 4.319 -9.389 272 H PHE 37 HN PHE 37 -13.652 2.072 -3.307 273 HA PHE 37 HA PHE 37 -11.422 3.973 -3.691 274 1HB PHE 37 HB2 PHE 37 -12.481 3.725 -1.502 275 2HB PHE 37 HB1 PHE 37 -12.158 2.000 -1.517 276 HD1 PHE 37 HD1 PHE 37 -10.378 1.345 -0.157 277 HD2 PHE 37 HD2 PHE 37 -10.195 5.162 -2.125 278 HE1 PHE 37 HE1 PHE 37 -8.176 1.779 0.888 279 HE2 PHE 37 HE2 PHE 37 -7.993 5.592 -1.080 280 HZ PHE 37 HZ PHE 37 -6.980 3.900 0.424 281 H MET 38 HN MET 38 -12.052 0.849 -4.672 282 HA MET 38 HA MET 38 -9.184 0.037 -4.565 283 1HB MET 38 HB2 MET 38 -10.470 -1.855 -4.151 284 2HB MET 38 HB1 MET 38 -11.790 -1.321 -5.181 285 1HG MET 38 HG2 MET 38 -10.598 -1.942 -7.170 286 2HG MET 38 HG1 MET 38 -9.096 -2.173 -6.275 287 1HE MET 38 HE1 MET 38 -12.903 -4.691 -6.111 288 2HE MET 38 HE2 MET 38 -12.708 -2.994 -6.545 289 3HE MET 38 HE3 MET 38 -12.682 -3.471 -4.849 290 H GLN 39 HN GLN 39 -11.616 1.241 -6.784 291 HA GLN 39 HA GLN 39 -10.097 0.697 -9.189 292 1HB GLN 39 HB2 GLN 39 -12.572 1.099 -9.111 293 2HB GLN 39 HB1 GLN 39 -12.238 2.795 -8.760 294 1HG GLN 39 HG2 GLN 39 -11.039 3.045 -10.860 295 2HG GLN 39 HG1 GLN 39 -11.208 1.322 -11.198 296 1HE2 GLN 39 HE21 GLN 39 -12.653 4.353 -11.745 297 2HE2 GLN 39 HE22 GLN 39 -14.179 3.807 -12.251 298 H THR 40 HN THR 40 -10.523 3.460 -7.033 299 HA THR 40 HA THR 40 -8.709 5.257 -8.548 300 HB THR 40 HB THR 40 -10.734 5.866 -7.033 301 HG1 THR 40 HG1 THR 40 -9.543 7.559 -7.615 302 1HG2 THR 40 HG21 THR 40 -8.728 5.681 -4.821 303 2HG2 THR 40 HG22 THR 40 -9.767 4.321 -5.201 304 3HG2 THR 40 HG23 THR 40 -10.479 5.857 -4.696 305 H ILE 41 HN ILE 41 -8.391 3.025 -5.889 306 HA ILE 41 HA ILE 41 -5.645 4.003 -5.385 307 HB ILE 41 HB ILE 41 -7.223 1.627 -4.392 308 1HG1 ILE 41 HG12 ILE 41 -7.476 4.119 -3.567 309 2HG1 ILE 41 HG11 ILE 41 -7.430 2.806 -2.397 310 1HG2 ILE 41 HG21 ILE 41 -5.049 0.724 -4.472 311 2HG2 ILE 41 HG22 ILE 41 -5.184 1.340 -2.825 312 3HG2 ILE 41 HG23 ILE 41 -4.300 2.261 -4.040 313 1HD1 ILE 41 HD11 ILE 41 -5.120 3.239 -1.865 314 2HD1 ILE 41 HD12 ILE 41 -5.935 4.800 -1.835 315 3HD1 ILE 41 HD13 ILE 41 -4.947 4.350 -3.220 316 H ARG 42 HN ARG 42 -7.227 1.928 -7.570 317 HA ARG 42 HA ARG 42 -5.045 0.115 -8.125 318 1HB ARG 42 HB2 ARG 42 -7.353 -0.404 -8.778 319 2HB ARG 42 HB1 ARG 42 -7.360 0.990 -9.856 320 1HG ARG 42 HG2 ARG 42 -5.676 0.004 -11.264 321 2HG ARG 42 HG1 ARG 42 -5.381 -1.288 -10.100 322 1HD ARG 42 HD2 ARG 42 -7.688 -2.112 -10.439 323 2HD ARG 42 HD1 ARG 42 -7.966 -0.831 -11.618 324 HE ARG 42 HE ARG 42 -5.713 -2.144 -12.568 325 1HH1 ARG 42 HH21 ARG 42 -8.910 -3.005 -11.607 326 2HH1 ARG 42 HH22 ARG 42 -9.021 -4.344 -12.700 327 1HH2 ARG 42 HH11 ARG 42 -5.840 -3.887 -14.002 328 2HH2 ARG 42 HH12 ARG 42 -7.283 -4.843 -14.056 329 H LEU 43 HN LEU 43 -6.181 3.160 -9.637 330 HA LEU 43 HA LEU 43 -3.890 3.089 -11.512 331 1HB LEU 43 HB2 LEU 43 -6.039 5.195 -11.150 332 2HB LEU 43 HB1 LEU 43 -4.918 5.066 -12.503 333 HG LEU 43 HG LEU 43 -6.863 2.868 -11.756 334 1HD1 LEU 43 HD11 LEU 43 -7.177 5.044 -13.845 335 2HD1 LEU 43 HD12 LEU 43 -8.086 4.940 -12.337 336 3HD1 LEU 43 HD13 LEU 43 -8.289 3.702 -13.577 337 1HD2 LEU 43 HD21 LEU 43 -5.065 3.432 -14.125 338 2HD2 LEU 43 HD22 LEU 43 -6.441 2.339 -14.252 339 3HD2 LEU 43 HD23 LEU 43 -5.136 1.980 -13.126 340 H ALA 44 HN ALA 44 -4.473 4.224 -8.375 341 HA ALA 44 HA ALA 44 -2.581 6.529 -8.678 342 1HB ALA 44 HB1 ALA 44 -4.739 6.489 -7.194 343 2HB ALA 44 HB2 ALA 44 -3.272 7.217 -6.541 344 3HB ALA 44 HB3 ALA 44 -3.738 5.584 -6.060 345 H VAL 45 HN VAL 45 -2.720 3.390 -6.994 346 HA VAL 45 HA VAL 45 0.048 3.729 -6.096 347 HB VAL 45 HB VAL 45 -1.868 1.377 -6.026 348 1HG1 VAL 45 HG11 VAL 45 0.988 1.661 -5.067 349 2HG1 VAL 45 HG12 VAL 45 0.312 0.409 -6.111 350 3HG1 VAL 45 HG13 VAL 45 -0.114 0.456 -4.400 351 1HG2 VAL 45 HG21 VAL 45 -0.736 3.083 -3.789 352 2HG2 VAL 45 HG22 VAL 45 -2.017 1.878 -3.665 353 3HG2 VAL 45 HG23 VAL 45 -2.302 3.380 -4.544 354 H GLN 46 HN GLN 46 -1.653 2.344 -8.833 355 HA GLN 46 HA GLN 46 0.674 0.789 -9.713 356 1HB GLN 46 HB2 GLN 46 -1.709 0.124 -10.187 357 2HB GLN 46 HB1 GLN 46 -1.814 1.504 -11.282 358 1HG GLN 46 HG2 GLN 46 0.038 0.619 -12.620 359 2HG GLN 46 HG1 GLN 46 0.216 -0.738 -11.506 360 1HE2 GLN 46 HE21 GLN 46 -1.485 -2.393 -11.505 361 2HE2 GLN 46 HE22 GLN 46 -2.589 -2.513 -12.789 362 H GLN 47 HN GLN 47 -0.579 4.038 -10.226 363 HA GLN 47 HA GLN 47 1.009 4.396 -12.659 364 1HB GLN 47 HB2 GLN 47 -0.699 6.257 -11.025 365 2HB GLN 47 HB1 GLN 47 0.253 6.821 -12.393 366 1HG GLN 47 HG2 GLN 47 -0.899 5.349 -13.912 367 2HG GLN 47 HG1 GLN 47 -1.730 4.535 -12.587 368 1HE2 GLN 47 HE21 GLN 47 -2.999 5.998 -14.845 369 2HE2 GLN 47 HE22 GLN 47 -3.904 7.253 -14.146 370 H PHE 48 HN PHE 48 0.957 6.164 -9.549 371 HA PHE 48 HA PHE 48 3.711 7.099 -10.032 372 1HB PHE 48 HB2 PHE 48 1.881 7.602 -7.670 373 2HB PHE 48 HB1 PHE 48 3.362 8.477 -8.055 374 HD1 PHE 48 HD1 PHE 48 -0.144 7.881 -9.034 375 HD2 PHE 48 HD2 PHE 48 3.448 10.076 -9.888 376 HE1 PHE 48 HE1 PHE 48 -1.429 9.412 -10.502 377 HE2 PHE 48 HE2 PHE 48 2.163 11.607 -11.357 378 HZ PHE 48 HZ PHE 48 -0.275 11.275 -11.664 379 H ASP 49 HN ASP 49 2.464 4.286 -8.779 380 HA ASP 49 HA ASP 49 3.154 2.927 -6.868 381 1HB ASP 49 HB2 ASP 49 5.527 3.228 -8.714 382 2HB ASP 49 HB1 ASP 49 5.330 1.935 -7.532 383 HA PRO 50 HA PRO 50 5.514 6.362 -4.689 384 1HB PRO 50 HB2 PRO 50 3.866 5.615 -2.376 385 2HB PRO 50 HB1 PRO 50 4.015 7.191 -3.165 386 1HG PRO 50 HG2 PRO 50 1.780 5.439 -3.334 387 2HG PRO 50 HG1 PRO 50 2.058 6.878 -4.326 388 1HD PRO 50 HD2 PRO 50 2.226 4.073 -5.124 389 2HD PRO 50 HD1 PRO 50 2.336 5.516 -6.153 390 H THR 51 HN THR 51 6.968 6.012 -2.798 391 HA THR 51 HA THR 51 8.116 3.357 -2.820 392 HB THR 51 HB THR 51 9.669 4.238 -1.143 393 HG1 THR 51 HG1 THR 51 7.961 5.403 -0.015 394 1HG2 THR 51 HG21 THR 51 10.086 4.915 -3.438 395 2HG2 THR 51 HG22 THR 51 10.436 6.277 -2.374 396 3HG2 THR 51 HG23 THR 51 8.932 6.240 -3.294 397 H ALA 52 HN ALA 52 8.599 2.363 -0.450 398 HA ALA 52 HA ALA 52 6.016 1.581 0.519 399 1HB ALA 52 HB1 ALA 52 8.187 0.211 0.569 400 2HB ALA 52 HB2 ALA 52 7.176 0.128 2.011 401 3HB ALA 52 HB3 ALA 52 8.618 1.146 2.001 402 H LYS 53 HN LYS 53 8.308 4.015 1.290 403 HA LYS 53 HA LYS 53 7.784 4.685 3.977 404 1HB LYS 53 HB2 LYS 53 8.261 6.514 1.613 405 2HB LYS 53 HB1 LYS 53 8.425 6.983 3.303 406 1HG LYS 53 HG2 LYS 53 10.167 5.269 3.623 407 2HG LYS 53 HG1 LYS 53 10.004 4.789 1.934 408 1HD LYS 53 HD2 LYS 53 10.741 6.985 1.189 409 2HD LYS 53 HD1 LYS 53 10.783 7.570 2.853 410 1HE LYS 53 HE2 LYS 53 12.511 5.884 3.395 411 2HE LYS 53 HE1 LYS 53 12.485 5.331 1.721 412 1HZ LYS 53 HZ1 LYS 53 14.098 7.261 2.679 413 2HZ LYS 53 HZ2 LYS 53 12.829 8.176 2.017 414 3HZ LYS 53 HZ3 LYS 53 13.682 7.073 1.046 415 H ASP 54 HN ASP 54 6.151 5.885 1.026 416 HA ASP 54 HA ASP 54 4.031 7.423 2.160 417 1HB ASP 54 HB2 ASP 54 4.626 6.882 -0.332 418 2HB ASP 54 HB1 ASP 54 3.643 5.443 -0.079 419 H LEU 55 HN LEU 55 4.154 3.882 1.624 420 HA LEU 55 HA LEU 55 1.577 3.370 2.658 421 1HB LEU 55 HB2 LEU 55 3.985 1.590 3.118 422 2HB LEU 55 HB1 LEU 55 2.295 1.102 3.039 423 HG LEU 55 HG LEU 55 3.829 2.353 0.742 424 1HD1 LEU 55 HD11 LEU 55 4.543 0.013 1.463 425 2HD1 LEU 55 HD12 LEU 55 3.986 0.160 -0.204 426 3HD1 LEU 55 HD13 LEU 55 2.919 -0.519 1.026 427 1HD2 LEU 55 HD21 LEU 55 1.777 1.337 -0.501 428 2HD2 LEU 55 HD22 LEU 55 1.544 2.838 0.393 429 3HD2 LEU 55 HD23 LEU 55 1.016 1.307 1.090 430 H GLN 56 HN GLN 56 4.429 4.426 4.304 431 HA GLN 56 HA GLN 56 3.584 3.499 6.939 432 1HB GLN 56 HB2 GLN 56 5.977 4.047 6.257 433 2HB GLN 56 HB1 GLN 56 5.522 5.746 6.358 434 1HG GLN 56 HG2 GLN 56 6.458 5.171 8.488 435 2HG GLN 56 HG1 GLN 56 4.712 5.276 8.719 436 1HE2 GLN 56 HE21 GLN 56 6.981 2.705 7.558 437 2HE2 GLN 56 HE22 GLN 56 6.325 1.486 8.541 438 H ASP 57 HN ASP 57 3.712 6.773 5.439 439 HA ASP 57 HA ASP 57 1.886 7.787 7.544 440 1HB ASP 57 HB2 ASP 57 3.436 9.058 5.289 441 2HB ASP 57 HB1 ASP 57 2.135 9.945 6.081 442 H LEU 58 HN LEU 58 1.571 6.372 4.463 443 HA LEU 58 HA LEU 58 -1.036 7.714 3.934 444 1HB LEU 58 HB2 LEU 58 0.634 7.072 2.088 445 2HB LEU 58 HB1 LEU 58 0.254 5.393 2.443 446 HG LEU 58 HG LEU 58 -2.089 7.207 1.944 447 1HD1 LEU 58 HD11 LEU 58 -0.368 6.171 -0.325 448 2HD1 LEU 58 HD12 LEU 58 -0.421 7.858 0.186 449 3HD1 LEU 58 HD13 LEU 58 -1.866 7.089 -0.469 450 1HD2 LEU 58 HD21 LEU 58 -2.430 4.813 2.400 451 2HD2 LEU 58 HD22 LEU 58 -1.356 4.391 1.071 452 3HD2 LEU 58 HD23 LEU 58 -2.896 5.181 0.742 453 H LEU 59 HN LEU 59 0.239 4.797 5.327 454 HA LEU 59 HA LEU 59 -2.486 3.602 5.489 455 1HB LEU 59 HB2 LEU 59 -0.339 2.246 5.021 456 2HB LEU 59 HB1 LEU 59 0.069 2.540 6.710 457 HG LEU 59 HG LEU 59 -2.362 1.612 7.170 458 1HD1 LEU 59 HD11 LEU 59 -2.965 -0.164 5.510 459 2HD1 LEU 59 HD12 LEU 59 -1.724 0.471 4.432 460 3HD1 LEU 59 HD13 LEU 59 -3.115 1.466 4.858 461 1HD2 LEU 59 HD21 LEU 59 -0.312 0.503 7.921 462 2HD2 LEU 59 HD22 LEU 59 -0.056 -0.159 6.307 463 3HD2 LEU 59 HD23 LEU 59 -1.431 -0.694 7.271 464 H GLN 60 HN GLN 60 -0.376 5.609 7.327 465 HA GLN 60 HA GLN 60 -1.720 4.912 9.881 466 1HB GLN 60 HB2 GLN 60 0.529 6.772 9.127 467 2HB GLN 60 HB1 GLN 60 -0.167 6.752 10.746 468 1HG GLN 60 HG2 GLN 60 0.406 4.425 11.044 469 2HG GLN 60 HG1 GLN 60 0.905 4.280 9.358 470 1HE2 GLN 60 HE21 GLN 60 2.332 4.282 12.232 471 2HE2 GLN 60 HE22 GLN 60 3.727 5.198 11.921 472 H TYR 61 HN TYR 61 -1.888 7.340 7.359 473 HA TYR 61 HA TYR 61 -3.609 9.091 9.078 474 1HB TYR 61 HB2 TYR 61 -2.075 9.583 6.521 475 2HB TYR 61 HB1 TYR 61 -3.318 10.695 7.089 476 HD1 TYR 61 HD1 TYR 61 -2.729 12.393 8.598 477 HD2 TYR 61 HD2 TYR 61 -0.263 8.886 8.308 478 HE1 TYR 61 HE1 TYR 61 -1.101 13.407 10.169 479 HE2 TYR 61 HE2 TYR 61 1.364 9.902 9.878 480 HH TYR 61 HH TYR 61 0.807 13.146 11.259 481 H LEU 62 HN LEU 62 -3.512 7.811 5.716 482 HA LEU 62 HA LEU 62 -6.288 8.433 5.228 483 1HB LEU 62 HB2 LEU 62 -4.364 7.710 3.535 484 2HB LEU 62 HB1 LEU 62 -4.932 6.084 3.904 485 HG LEU 62 HG LEU 62 -7.323 7.131 3.400 486 1HD1 LEU 62 HD11 LEU 62 -7.366 8.974 1.925 487 2HD1 LEU 62 HD12 LEU 62 -5.648 8.835 1.551 488 3HD1 LEU 62 HD13 LEU 62 -6.160 9.440 3.124 489 1HD2 LEU 62 HD21 LEU 62 -5.344 6.533 1.174 490 2HD2 LEU 62 HD22 LEU 62 -7.101 6.425 1.059 491 3HD2 LEU 62 HD23 LEU 62 -6.216 5.317 2.107 492 H CYS 63 HN CYS 63 -4.764 5.803 6.918 493 HA CYS 63 HA CYS 63 -7.462 4.526 7.200 494 1HB CYS 63 HB2 CYS 63 -4.906 3.278 8.193 495 2HB CYS 63 HB1 CYS 63 -6.409 2.503 7.718 496 HG CYS 63 HG CYS 63 -5.782 3.349 5.198 497 H SER 64 HN SER 64 -6.035 3.321 9.771 498 HA SER 64 HA SER 64 -5.750 5.669 11.479 499 1HB SER 64 HB2 SER 64 -7.702 5.056 12.934 500 2HB SER 64 HB1 SER 64 -8.141 5.699 11.356 501 HG SER 64 HG SER 64 -8.814 3.761 10.738 502 H SER 65 HN SER 65 -6.785 2.247 11.826 503 HA SER 65 HA SER 65 -4.258 1.558 13.105 504 1HB SER 65 HB2 SER 65 -5.294 2.705 14.987 505 2HB SER 65 HB1 SER 65 -6.772 1.769 14.785 506 HG SER 65 HG SER 65 -5.614 -0.085 15.317 507 H LEU 66 HN LEU 66 -7.581 0.307 13.678 508 HA LEU 66 HA LEU 66 -6.992 -2.385 13.475 509 1HB LEU 66 HB2 LEU 66 -9.442 -0.801 12.717 510 2HB LEU 66 HB1 LEU 66 -9.409 -2.546 12.477 511 HG LEU 66 HG LEU 66 -10.397 -1.844 14.676 512 1HD1 LEU 66 HD11 LEU 66 -8.937 -4.037 14.186 513 2HD1 LEU 66 HD12 LEU 66 -9.551 -3.674 15.795 514 3HD1 LEU 66 HD13 LEU 66 -7.878 -3.305 15.393 515 1HD2 LEU 66 HD21 LEU 66 -8.814 0.111 14.950 516 2HD2 LEU 66 HD22 LEU 66 -7.561 -1.051 15.388 517 3HD2 LEU 66 HD23 LEU 66 -9.002 -0.889 16.389 518 H VAL 67 HN VAL 67 -8.479 -0.660 10.728 519 HA VAL 67 HA VAL 67 -8.275 -2.359 8.719 520 HB VAL 67 HB VAL 67 -7.142 0.432 8.433 521 1HG1 VAL 67 HG11 VAL 67 -6.780 -0.922 6.437 522 2HG1 VAL 67 HG12 VAL 67 -8.079 0.229 6.124 523 3HG1 VAL 67 HG13 VAL 67 -8.459 -1.459 6.463 524 1HG2 VAL 67 HG21 VAL 67 -9.982 -0.627 8.425 525 2HG2 VAL 67 HG22 VAL 67 -9.540 0.983 7.855 526 3HG2 VAL 67 HG23 VAL 67 -9.287 0.545 9.545 527 H ALA 68 HN ALA 68 -5.375 -0.506 9.764 528 HA ALA 68 HA ALA 68 -3.471 -1.585 7.988 529 1HB ALA 68 HB1 ALA 68 -3.080 -0.919 10.926 530 2HB ALA 68 HB2 ALA 68 -2.965 0.233 9.596 531 3HB ALA 68 HB3 ALA 68 -1.794 -1.078 9.729 532 H SER 69 HN SER 69 -4.777 -2.899 10.999 533 HA SER 69 HA SER 69 -3.170 -5.246 11.313 534 1HB SER 69 HB2 SER 69 -4.884 -4.297 12.897 535 2HB SER 69 HB1 SER 69 -6.124 -5.006 11.877 536 HG SER 69 HG SER 69 -5.714 -6.671 13.126 537 H LEU 70 HN LEU 70 -6.526 -5.202 10.217 538 HA LEU 70 HA LEU 70 -6.993 -7.515 9.030 539 1HB LEU 70 HB2 LEU 70 -7.754 -4.944 7.680 540 2HB LEU 70 HB1 LEU 70 -8.646 -6.460 7.737 541 HG LEU 70 HG LEU 70 -8.131 -4.527 10.010 542 1HD1 LEU 70 HD11 LEU 70 -10.628 -5.629 8.693 543 2HD1 LEU 70 HD12 LEU 70 -10.026 -3.975 8.589 544 3HD1 LEU 70 HD13 LEU 70 -10.626 -4.600 10.125 545 1HD2 LEU 70 HD21 LEU 70 -9.524 -6.256 11.327 546 2HD2 LEU 70 HD22 LEU 70 -7.833 -6.660 11.034 547 3HD2 LEU 70 HD23 LEU 70 -9.098 -7.395 10.049 548 H HIS 71 HN HIS 71 -6.243 -4.866 6.791 549 HA HIS 71 HA HIS 71 -5.936 -6.555 4.715 550 1HB HIS 71 HB2 HIS 71 -5.697 -4.655 3.434 551 2HB HIS 71 HB1 HIS 71 -5.924 -3.832 4.970 552 HD1 HIS 71 HD1 HIS 71 -3.703 -3.018 6.209 553 HD2 HIS 71 HD2 HIS 71 -3.158 -4.346 2.296 554 HE1 HIS 71 HE1 HIS 71 -1.410 -2.216 5.492 555 H HIS 72 HN HIS 72 -3.147 -5.121 6.541 556 HA HIS 72 HA HIS 72 -1.287 -6.482 4.910 557 1HB HIS 72 HB2 HIS 72 -0.484 -4.622 6.293 558 2HB HIS 72 HB1 HIS 72 -0.937 -5.478 7.767 559 HD1 HIS 72 HD1 HIS 72 0.319 -8.009 7.885 560 HD2 HIS 72 HD2 HIS 72 2.186 -4.972 5.724 561 HE1 HIS 72 HE1 HIS 72 2.751 -8.681 7.659 562 H GLN 73 HN GLN 73 -3.386 -7.556 7.282 563 HA GLN 73 HA GLN 73 -2.073 -9.852 8.346 564 1HB GLN 73 HB2 GLN 73 -4.529 -8.910 8.784 565 2HB GLN 73 HB1 GLN 73 -4.968 -10.030 7.495 566 1HG GLN 73 HG2 GLN 73 -3.461 -10.776 10.020 567 2HG GLN 73 HG1 GLN 73 -5.171 -11.091 9.722 568 1HE2 GLN 73 HE21 GLN 73 -5.235 -12.033 7.130 569 2HE2 GLN 73 HE22 GLN 73 -4.282 -13.429 6.973 570 H GLN 74 HN GLN 74 -4.217 -9.553 5.493 571 HA GLN 74 HA GLN 74 -3.856 -12.008 4.328 572 1HB GLN 74 HB2 GLN 74 -4.194 -9.256 3.210 573 2HB GLN 74 HB1 GLN 74 -3.765 -10.523 2.061 574 1HG GLN 74 HG2 GLN 74 -5.707 -11.811 2.626 575 2HG GLN 74 HG1 GLN 74 -6.041 -10.810 4.039 576 1HE2 GLN 74 HE21 GLN 74 -6.758 -8.533 3.606 577 2HE2 GLN 74 HE22 GLN 74 -7.526 -8.167 2.137 578 H LEU 75 HN LEU 75 -1.848 -9.148 3.285 579 HA LEU 75 HA LEU 75 0.417 -10.208 2.056 580 1HB LEU 75 HB2 LEU 75 0.119 -8.073 4.137 581 2HB LEU 75 HB1 LEU 75 1.715 -8.524 3.562 582 HG LEU 75 HG LEU 75 1.087 -8.009 1.257 583 1HD1 LEU 75 HD11 LEU 75 -1.153 -6.960 0.835 584 2HD1 LEU 75 HD12 LEU 75 -1.629 -7.433 2.467 585 3HD1 LEU 75 HD13 LEU 75 -1.237 -8.667 1.268 586 1HD2 LEU 75 HD21 LEU 75 1.913 -6.145 2.604 587 2HD2 LEU 75 HD22 LEU 75 0.292 -5.841 3.229 588 3HD2 LEU 75 HD23 LEU 75 0.645 -5.564 1.524 589 H ASP 76 HN ASP 76 0.161 -9.977 5.613 590 HA ASP 76 HA ASP 76 2.341 -11.145 6.661 591 1HB ASP 76 HB2 ASP 76 -0.050 -10.765 7.666 592 2HB ASP 76 HB1 ASP 76 -0.237 -12.495 7.398 593 H SER 77 HN SER 77 -0.307 -13.390 5.885 594 HA SER 77 HA SER 77 1.522 -15.588 5.401 595 1HB SER 77 HB2 SER 77 -1.471 -15.275 5.132 596 2HB SER 77 HB1 SER 77 -0.609 -16.789 4.842 597 HG SER 77 HG SER 77 0.151 -16.682 6.985 598 H LEU 78 HN LEU 78 -0.378 -13.347 3.359 599 HA LEU 78 HA LEU 78 -0.418 -14.809 1.035 600 1HB LEU 78 HB2 LEU 78 -0.983 -12.178 1.612 601 2HB LEU 78 HB1 LEU 78 0.418 -11.976 0.571 602 HG LEU 78 HG LEU 78 -1.926 -13.724 -0.170 603 1HD1 LEU 78 HD11 LEU 78 -2.775 -11.860 -1.504 604 2HD1 LEU 78 HD12 LEU 78 -1.424 -10.845 -1.000 605 3HD1 LEU 78 HD13 LEU 78 -2.640 -11.343 0.176 606 1HD2 LEU 78 HD21 LEU 78 0.342 -12.451 -1.732 607 2HD2 LEU 78 HD22 LEU 78 -0.989 -13.349 -2.461 608 3HD2 LEU 78 HD23 LEU 78 0.144 -14.169 -1.386 609 H ILE 79 HN ILE 79 2.231 -12.611 2.121 610 HA ILE 79 HA ILE 79 4.126 -13.180 0.165 611 HB ILE 79 HB ILE 79 4.129 -12.421 3.071 612 1HG1 ILE 79 HG12 ILE 79 3.855 -10.693 1.353 613 2HG1 ILE 79 HG11 ILE 79 5.358 -10.455 2.233 614 1HG2 ILE 79 HG21 ILE 79 6.554 -13.442 1.611 615 2HG2 ILE 79 HG22 ILE 79 5.983 -13.851 3.228 616 3HG2 ILE 79 HG23 ILE 79 6.696 -12.269 2.921 617 1HD1 ILE 79 HD11 ILE 79 4.922 -11.119 -0.614 618 2HD1 ILE 79 HD12 ILE 79 6.221 -12.032 0.150 619 3HD1 ILE 79 HD13 ILE 79 6.263 -10.270 0.148 620 H SER 80 HN SER 80 3.614 -14.864 3.308 621 HA SER 80 HA SER 80 5.434 -16.934 3.055 622 1HB SER 80 HB2 SER 80 3.574 -16.553 4.845 623 2HB SER 80 HB1 SER 80 2.598 -17.610 3.827 624 HG SER 80 HG SER 80 5.173 -18.477 4.308 625 H GLU 81 HN GLU 81 2.143 -16.941 1.576 626 HA GLU 81 HA GLU 81 2.805 -19.390 0.094 627 1HB GLU 81 HB2 GLU 81 0.401 -17.565 -0.170 628 2HB GLU 81 HB1 GLU 81 0.539 -19.221 -0.761 629 1HG GLU 81 HG2 GLU 81 0.733 -20.069 1.512 630 2HG GLU 81 HG1 GLU 81 0.756 -18.427 2.157 631 H ALA 82 HN ALA 82 3.034 -15.944 -0.503 632 HA ALA 82 HA ALA 82 2.638 -16.178 -3.260 633 1HB ALA 82 HB1 ALA 82 3.451 -13.912 -3.493 634 2HB ALA 82 HB2 ALA 82 4.375 -14.036 -1.996 635 3HB ALA 82 HB3 ALA 82 2.612 -14.025 -1.946 636 H GLU 83 HN GLU 83 5.473 -16.268 -1.189 637 HA GLU 83 HA GLU 83 7.416 -16.434 -3.352 638 1HB GLU 83 HB2 GLU 83 7.800 -16.905 -0.377 639 2HB GLU 83 HB1 GLU 83 9.095 -16.723 -1.556 640 1HG GLU 83 HG2 GLU 83 8.240 -14.443 -2.092 641 2HG GLU 83 HG1 GLU 83 7.031 -14.630 -0.819 642 H THR 84 HN THR 84 5.847 -18.776 -1.148 643 HA THR 84 HA THR 84 7.549 -20.987 -1.666 644 HB THR 84 HB THR 84 5.590 -20.878 -0.053 645 HG1 THR 84 HG1 THR 84 6.776 -22.825 -1.203 646 1HG2 THR 84 HG21 THR 84 4.008 -21.808 -2.448 647 2HG2 THR 84 HG22 THR 84 3.949 -20.171 -1.816 648 3HG2 THR 84 HG23 THR 84 3.420 -21.507 -0.813 649 H ARG 85 HN ARG 85 4.680 -19.761 -3.354 650 HA ARG 85 HA ARG 85 4.233 -21.455 -5.418 651 1HB ARG 85 HB2 ARG 85 2.986 -19.410 -5.208 652 2HB ARG 85 HB1 ARG 85 4.412 -18.435 -5.533 653 1HG ARG 85 HG2 ARG 85 3.429 -20.464 -7.550 654 2HG ARG 85 HG1 ARG 85 2.705 -18.864 -7.471 655 1HD ARG 85 HD2 ARG 85 5.409 -18.236 -7.537 656 2HD ARG 85 HD1 ARG 85 5.341 -19.671 -8.555 657 HE ARG 85 HE ARG 85 3.205 -18.067 -9.395 658 1HH1 ARG 85 HH21 ARG 85 6.625 -17.841 -9.053 659 2HH1 ARG 85 HH22 ARG 85 6.811 -16.696 -10.340 660 1HH2 ARG 85 HH11 ARG 85 3.426 -16.579 -11.079 661 2HH2 ARG 85 HH12 ARG 85 5.000 -15.982 -11.487 662 H GLY 86 HN GLY 86 6.900 -19.025 -5.384 663 1HA GLY 86 HA2 GLY 86 9.059 -19.850 -6.362 664 2HA GLY 86 HA1 GLY 86 8.124 -20.525 -7.691 665 H ILE 87 HN ILE 87 8.207 -17.309 -6.072 666 HA ILE 87 HA ILE 87 7.741 -15.884 -8.557 667 HB ILE 87 HB ILE 87 8.360 -15.206 -5.712 668 1HG1 ILE 87 HG12 ILE 87 6.464 -13.760 -5.921 669 2HG1 ILE 87 HG11 ILE 87 6.542 -13.797 -7.679 670 1HG2 ILE 87 HG21 ILE 87 9.044 -13.353 -8.004 671 2HG2 ILE 87 HG22 ILE 87 10.069 -13.830 -6.649 672 3HG2 ILE 87 HG23 ILE 87 8.692 -12.762 -6.379 673 1HD1 ILE 87 HD11 ILE 87 5.533 -15.865 -7.817 674 2HD1 ILE 87 HD12 ILE 87 4.824 -15.329 -6.297 675 3HD1 ILE 87 HD13 ILE 87 6.205 -16.421 -6.285 676 H THR 88 HN THR 88 10.542 -16.356 -6.520 677 HA THR 88 HA THR 88 12.351 -16.587 -8.796 678 HB THR 88 HB THR 88 12.826 -14.139 -7.090 679 HG1 THR 88 HG1 THR 88 11.486 -13.057 -8.281 680 1HG2 THR 88 HG21 THR 88 13.708 -14.721 -9.918 681 2HG2 THR 88 HG22 THR 88 14.639 -15.266 -8.523 682 3HG2 THR 88 HG23 THR 88 14.374 -13.543 -8.788 683 H SER 89 HN SER 89 12.034 -18.367 -6.740 684 HA SER 89 HA SER 89 13.207 -19.436 -4.968 685 1HB SER 89 HB2 SER 89 15.582 -18.099 -6.284 686 2HB SER 89 HB1 SER 89 15.587 -19.579 -5.330 687 HG SER 89 HG SER 89 14.359 -20.564 -6.937 688 H TYR 90 HN TYR 90 12.503 -16.408 -4.821 689 HA TYR 90 HA TYR 90 12.995 -14.511 -3.515 690 1HB TYR 90 HB2 TYR 90 12.643 -15.217 -1.080 691 2HB TYR 90 HB1 TYR 90 11.392 -15.676 -2.244 692 HD1 TYR 90 HD1 TYR 90 14.223 -16.890 -0.208 693 HD2 TYR 90 HD2 TYR 90 11.085 -17.988 -2.928 694 HE1 TYR 90 HE1 TYR 90 14.572 -19.280 0.353 695 HE2 TYR 90 HE2 TYR 90 11.434 -20.378 -2.366 696 HH TYR 90 HH TYR 90 13.991 -21.621 -1.139 697 H ASN 91 HN ASN 91 14.286 -13.358 -2.074 698 HA ASN 91 HA ASN 91 16.131 -14.282 -0.433 699 1HB ASN 91 HB2 ASN 91 17.199 -14.427 -3.174 700 2HB ASN 91 HB1 ASN 91 18.280 -13.513 -2.126 701 1HD2 ASN 91 HD21 ASN 91 17.519 -16.657 -3.127 702 2HD2 ASN 91 HD22 ASN 91 18.251 -17.510 -1.855 703 HA PRO 92 HA PRO 92 16.894 -9.653 -1.091 704 1HB PRO 92 HB2 PRO 92 14.886 -8.430 -2.691 705 2HB PRO 92 HB1 PRO 92 16.571 -8.678 -3.147 706 1HG PRO 92 HG2 PRO 92 14.241 -10.038 -4.222 707 2HG PRO 92 HG1 PRO 92 15.933 -10.244 -4.697 708 1HD PRO 92 HD2 PRO 92 14.279 -12.007 -3.047 709 2HD PRO 92 HD1 PRO 92 15.901 -12.324 -3.702 710 H LEU 93 HN LEU 93 13.598 -10.961 -1.241 711 HA LEU 93 HA LEU 93 12.216 -9.190 0.555 712 1HB LEU 93 HB2 LEU 93 11.887 -12.173 0.712 713 2HB LEU 93 HB1 LEU 93 10.671 -10.906 0.845 714 HG LEU 93 HG LEU 93 11.698 -10.498 -1.736 715 1HD1 LEU 93 HD11 LEU 93 11.999 -12.520 -2.838 716 2HD1 LEU 93 HD12 LEU 93 11.203 -13.451 -1.572 717 3HD1 LEU 93 HD13 LEU 93 12.824 -12.807 -1.304 718 1HD2 LEU 93 HD21 LEU 93 9.234 -11.887 -0.702 719 2HD2 LEU 93 HD22 LEU 93 9.527 -11.748 -2.435 720 3HD2 LEU 93 HD23 LEU 93 9.385 -10.295 -1.447 721 H ALA 94 HN ALA 94 13.932 -12.151 1.220 722 HA ALA 94 HA ALA 94 14.445 -12.818 3.673 723 1HB ALA 94 HB1 ALA 94 16.103 -13.022 1.867 724 2HB ALA 94 HB2 ALA 94 16.799 -12.707 3.462 725 3HB ALA 94 HB3 ALA 94 16.688 -11.404 2.278 726 H GLY 95 HN GLY 95 15.739 -9.645 2.720 727 1HA GLY 95 HA2 GLY 95 16.185 -8.682 5.409 728 2HA GLY 95 HA1 GLY 95 16.153 -7.681 3.952 729 HA PRO 96 HA PRO 96 12.416 -6.898 6.366 730 1HB PRO 96 HB2 PRO 96 12.484 -4.035 5.761 731 2HB PRO 96 HB1 PRO 96 12.757 -4.821 7.324 732 1HG PRO 96 HG2 PRO 96 14.748 -3.643 5.570 733 2HG PRO 96 HG1 PRO 96 15.010 -4.409 7.142 734 1HD PRO 96 HD2 PRO 96 15.636 -5.488 4.508 735 2HD PRO 96 HD1 PRO 96 15.974 -6.209 6.091 736 H LEU 97 HN LEU 97 10.144 -5.822 5.185 737 HA LEU 97 HA LEU 97 10.338 -6.466 2.339 738 1HB LEU 97 HB2 LEU 97 8.124 -5.408 4.119 739 2HB LEU 97 HB1 LEU 97 7.921 -5.484 2.368 740 HG LEU 97 HG LEU 97 8.317 -7.881 2.372 741 1HD1 LEU 97 HD11 LEU 97 9.964 -8.171 4.066 742 2HD1 LEU 97 HD12 LEU 97 8.536 -9.008 4.674 743 3HD1 LEU 97 HD13 LEU 97 8.950 -7.408 5.291 744 1HD2 LEU 97 HD21 LEU 97 6.450 -7.279 4.680 745 2HD2 LEU 97 HD22 LEU 97 6.332 -8.595 3.512 746 3HD2 LEU 97 HD23 LEU 97 6.033 -6.934 3.001 747 H ARG 98 HN ARG 98 9.522 -3.451 4.112 748 HA ARG 98 HA ARG 98 9.389 -1.539 2.212 749 1HB ARG 98 HB2 ARG 98 10.983 -1.497 4.775 750 2HB ARG 98 HB1 ARG 98 10.835 -0.060 3.764 751 1HG ARG 98 HG2 ARG 98 8.420 -0.099 3.961 752 2HG ARG 98 HG1 ARG 98 8.473 -1.639 4.819 753 1HD ARG 98 HD2 ARG 98 9.611 1.001 5.783 754 2HD ARG 98 HD1 ARG 98 8.196 0.172 6.433 755 HE ARG 98 HE ARG 98 10.225 -1.698 6.679 756 1HH1 ARG 98 HH21 ARG 98 9.730 1.593 7.581 757 2HH1 ARG 98 HH22 ARG 98 10.724 1.494 8.996 758 1HH2 ARG 98 HH11 ARG 98 11.527 -1.846 8.521 759 2HH2 ARG 98 HH12 ARG 98 11.742 -0.453 9.528 760 H VAL 99 HN VAL 99 12.149 -3.388 3.066 761 HA VAL 99 HA VAL 99 14.232 -1.872 1.737 762 HB VAL 99 HB VAL 99 14.141 -4.158 3.378 763 1HG1 VAL 99 HG11 VAL 99 13.893 -5.651 1.425 764 2HG1 VAL 99 HG12 VAL 99 15.455 -5.878 2.194 765 3HG1 VAL 99 HG13 VAL 99 15.343 -4.962 0.695 766 1HG2 VAL 99 HG21 VAL 99 16.383 -2.756 1.908 767 2HG2 VAL 99 HG22 VAL 99 16.711 -4.075 3.028 768 3HG2 VAL 99 HG23 VAL 99 15.921 -2.608 3.603 769 H GLN 100 HN GLN 100 12.278 -4.650 0.750 770 HA GLN 100 HA GLN 100 13.339 -5.070 -1.800 771 1HB GLN 100 HB2 GLN 100 10.414 -5.179 -1.020 772 2HB GLN 100 HB1 GLN 100 11.148 -5.983 -2.408 773 1HG GLN 100 HG2 GLN 100 11.922 -6.470 0.479 774 2HG GLN 100 HG1 GLN 100 10.877 -7.521 -0.477 775 1HE2 GLN 100 HE21 GLN 100 14.222 -6.320 -0.196 776 2HE2 GLN 100 HE22 GLN 100 14.909 -7.523 -1.172 777 H ALA 101 HN ALA 101 10.508 -2.953 -1.092 778 HA ALA 101 HA ALA 101 10.842 -1.837 -3.801 779 1HB ALA 101 HB1 ALA 101 8.901 -0.312 -3.046 780 2HB ALA 101 HB2 ALA 101 8.879 -1.262 -1.561 781 3HB ALA 101 HB3 ALA 101 8.545 -2.040 -3.108 782 H ASN 102 HN ASN 102 11.601 -0.732 -0.538 783 HA ASN 102 HA ASN 102 12.283 1.934 -1.470 784 1HB ASN 102 HB2 ASN 102 11.837 1.291 0.963 785 2HB ASN 102 HB1 ASN 102 13.445 0.562 0.967 786 1HD2 ASN 102 HD21 ASN 102 13.983 2.939 -1.137 787 2HD2 ASN 102 HD22 ASN 102 14.388 4.218 -0.097 788 H ASN 103 HN ASN 103 13.366 -0.138 -3.168 789 HA ASN 103 HA ASN 103 16.296 0.388 -2.813 790 1HB ASN 103 HB2 ASN 103 15.764 -1.928 -2.152 791 2HB ASN 103 HB1 ASN 103 15.039 -2.201 -3.737 792 1HD2 ASN 103 HD21 ASN 103 17.689 -0.058 -3.954 793 2HD2 ASN 103 HD22 ASN 103 18.861 -1.179 -4.456 794 HA PRO 104 HA PRO 104 15.015 1.896 -7.014 795 1HB PRO 104 HB2 PRO 104 17.694 3.083 -7.118 796 2HB PRO 104 HB1 PRO 104 16.121 3.893 -7.155 797 1HG PRO 104 HG2 PRO 104 17.931 3.923 -4.986 798 2HG PRO 104 HG1 PRO 104 16.231 4.411 -4.920 799 1HD PRO 104 HD2 PRO 104 17.491 1.994 -3.826 800 2HD PRO 104 HD1 PRO 104 15.866 2.637 -3.503 801 H GLN 105 HN GLN 105 17.820 0.100 -5.902 802 HA GLN 105 HA GLN 105 18.701 -0.598 -8.593 803 1HB GLN 105 HB2 GLN 105 19.340 -2.015 -5.989 804 2HB GLN 105 HB1 GLN 105 20.259 -2.092 -7.493 805 1HG GLN 105 HG2 GLN 105 20.666 0.370 -7.315 806 2HG GLN 105 HG1 GLN 105 19.866 0.352 -5.744 807 1HE2 GLN 105 HE21 GLN 105 21.039 -0.491 -3.936 808 2HE2 GLN 105 HE22 GLN 105 22.652 -1.010 -4.045 809 H GLN 106 HN GLN 106 17.254 -2.566 -5.959 810 HA GLN 106 HA GLN 106 16.330 -4.522 -8.002 811 1HB GLN 106 HB2 GLN 106 16.083 -4.660 -4.983 812 2HB GLN 106 HB1 GLN 106 15.865 -5.983 -6.129 813 1HG GLN 106 HG2 GLN 106 18.213 -5.857 -6.783 814 2HG GLN 106 HG1 GLN 106 18.456 -4.456 -5.739 815 1HE2 GLN 106 HE21 GLN 106 20.064 -6.662 -5.229 816 2HE2 GLN 106 HE22 GLN 106 19.561 -7.442 -3.808 817 H GLN 107 HN GLN 107 14.679 -3.032 -8.878 818 HA GLN 107 HA GLN 107 12.424 -2.361 -7.059 819 1HB GLN 107 HB2 GLN 107 13.198 -1.609 -9.882 820 2HB GLN 107 HB1 GLN 107 11.540 -1.365 -9.332 821 1HG GLN 107 HG2 GLN 107 12.215 0.122 -7.607 822 2HG GLN 107 HG1 GLN 107 13.910 -0.346 -7.758 823 1HE2 GLN 107 HE21 GLN 107 14.149 -0.238 -10.617 824 2HE2 GLN 107 HE22 GLN 107 13.972 1.377 -11.106 825 H GLY 108 HN GLY 108 13.340 -4.965 -9.044 826 1HA GLY 108 HA2 GLY 108 11.065 -5.766 -10.430 827 2HA GLY 108 HA1 GLY 108 12.104 -6.908 -9.587 828 H LEU 109 HN LEU 109 11.753 -6.842 -7.169 829 HA LEU 109 HA LEU 109 9.219 -7.838 -6.388 830 1HB LEU 109 HB2 LEU 109 11.330 -6.382 -4.806 831 2HB LEU 109 HB1 LEU 109 9.859 -7.004 -4.062 832 HG LEU 109 HG LEU 109 11.925 -8.530 -4.003 833 1HD1 LEU 109 HD11 LEU 109 9.441 -9.222 -3.729 834 2HD1 LEU 109 HD12 LEU 109 10.617 -10.483 -4.081 835 3HD1 LEU 109 HD13 LEU 109 9.588 -9.863 -5.367 836 1HD2 LEU 109 HD21 LEU 109 12.574 -8.121 -6.391 837 2HD2 LEU 109 HD22 LEU 109 11.156 -9.046 -6.891 838 3HD2 LEU 109 HD23 LEU 109 12.442 -9.826 -5.975 839 H ARG 110 HN ARG 110 10.292 -4.424 -6.063 840 HA ARG 110 HA ARG 110 8.022 -3.262 -5.020 841 1HB ARG 110 HB2 ARG 110 10.077 -2.042 -5.963 842 2HB ARG 110 HB1 ARG 110 9.272 -2.118 -7.524 843 1HG ARG 110 HG2 ARG 110 7.414 -0.830 -6.745 844 2HG ARG 110 HG1 ARG 110 7.959 -0.935 -5.074 845 1HD ARG 110 HD2 ARG 110 10.009 0.331 -5.685 846 2HD ARG 110 HD1 ARG 110 9.399 0.484 -7.332 847 HE ARG 110 HE ARG 110 7.354 1.509 -5.763 848 1HH1 ARG 110 HH21 ARG 110 10.741 2.032 -6.136 849 2HH1 ARG 110 HH22 ARG 110 10.664 3.710 -5.711 850 1HH2 ARG 110 HH11 ARG 110 7.234 3.697 -5.205 851 2HH2 ARG 110 HH12 ARG 110 8.678 4.652 -5.184 852 H ARG 111 HN ARG 111 8.252 -4.544 -8.314 853 HA ARG 111 HA ARG 111 5.480 -3.628 -8.878 854 1HB ARG 111 HB2 ARG 111 7.198 -5.499 -10.547 855 2HB ARG 111 HB1 ARG 111 5.794 -4.582 -11.086 856 1HG ARG 111 HG2 ARG 111 6.983 -2.607 -11.302 857 2HG ARG 111 HG1 ARG 111 8.061 -2.973 -9.959 858 1HD ARG 111 HD2 ARG 111 9.341 -4.507 -11.304 859 2HD ARG 111 HD1 ARG 111 8.181 -4.401 -12.627 860 HE ARG 111 HE ARG 111 9.007 -1.783 -12.276 861 1HH1 ARG 111 HH21 ARG 111 10.534 -4.841 -12.730 862 2HH1 ARG 111 HH22 ARG 111 11.899 -4.184 -13.570 863 1HH2 ARG 111 HH11 ARG 111 10.781 -0.908 -13.371 864 2HH2 ARG 111 HH12 ARG 111 12.039 -1.958 -13.933 865 H GLU 112 HN GLU 112 7.099 -6.640 -7.954 866 HA GLU 112 HA GLU 112 4.588 -8.124 -8.269 867 1HB GLU 112 HB2 GLU 112 6.603 -9.434 -8.393 868 2HB GLU 112 HB1 GLU 112 7.196 -8.781 -6.873 869 1HG GLU 112 HG2 GLU 112 4.539 -10.180 -6.816 870 2HG GLU 112 HG1 GLU 112 5.979 -11.179 -6.998 871 H TYR 113 HN TYR 113 6.358 -6.491 -5.688 872 HA TYR 113 HA TYR 113 4.595 -7.252 -3.544 873 1HB TYR 113 HB2 TYR 113 6.816 -6.364 -3.058 874 2HB TYR 113 HB1 TYR 113 6.416 -4.844 -3.858 875 HD1 TYR 113 HD1 TYR 113 5.724 -6.986 -0.918 876 HD2 TYR 113 HD2 TYR 113 5.032 -3.180 -2.786 877 HE1 TYR 113 HE1 TYR 113 4.767 -6.120 1.199 878 HE2 TYR 113 HE2 TYR 113 4.075 -2.315 -0.668 879 HH TYR 113 HH TYR 113 3.147 -3.041 1.360 880 H GLN 114 HN GLN 114 4.334 -4.960 -6.133 881 HA GLN 114 HA GLN 114 2.244 -3.368 -4.807 882 1HB GLN 114 HB2 GLN 114 3.532 -3.366 -7.539 883 2HB GLN 114 HB1 GLN 114 2.054 -2.450 -7.249 884 1HG GLN 114 HG2 GLN 114 4.395 -2.140 -5.369 885 2HG GLN 114 HG1 GLN 114 4.388 -1.280 -6.908 886 1HE2 GLN 114 HE21 GLN 114 2.364 -1.770 -3.969 887 2HE2 GLN 114 HE22 GLN 114 1.628 -0.242 -4.041 888 H GLN 115 HN GLN 115 2.563 -6.191 -6.785 889 HA GLN 115 HA GLN 115 -0.187 -6.170 -7.762 890 1HB GLN 115 HB2 GLN 115 2.002 -8.262 -7.713 891 2HB GLN 115 HB1 GLN 115 0.384 -8.602 -8.328 892 1HG GLN 115 HG2 GLN 115 2.062 -6.289 -9.324 893 2HG GLN 115 HG1 GLN 115 2.080 -7.882 -10.083 894 1HE2 GLN 115 HE21 GLN 115 1.162 -5.715 -11.608 895 2HE2 GLN 115 HE22 GLN 115 -0.518 -5.835 -11.821 896 H LEU 116 HN LEU 116 1.620 -7.749 -5.108 897 HA LEU 116 HA LEU 116 -0.743 -9.175 -4.193 898 1HB LEU 116 HB2 LEU 116 1.772 -8.583 -2.605 899 2HB LEU 116 HB1 LEU 116 0.628 -9.901 -2.352 900 HG LEU 116 HG LEU 116 2.347 -9.551 -4.827 901 1HD1 LEU 116 HD11 LEU 116 2.609 -11.344 -2.401 902 2HD1 LEU 116 HD12 LEU 116 3.765 -10.141 -2.972 903 3HD1 LEU 116 HD13 LEU 116 3.488 -11.610 -3.906 904 1HD2 LEU 116 HD21 LEU 116 1.583 -12.013 -5.104 905 2HD2 LEU 116 HD22 LEU 116 0.405 -10.754 -5.469 906 3HD2 LEU 116 HD23 LEU 116 0.326 -11.616 -3.932 907 H TRP 117 HN TRP 117 0.510 -6.034 -4.025 908 HA TRP 117 HA TRP 117 -0.516 -5.216 -1.452 909 1HB TRP 117 HB2 TRP 117 1.219 -3.899 -2.619 910 2HB TRP 117 HB1 TRP 117 0.085 -3.558 -3.924 911 HD1 TRP 117 HD1 TRP 117 -1.564 -1.609 -3.603 912 HE1 TRP 117 HE1 TRP 117 -2.075 0.033 -1.682 913 HE3 TRP 117 HE3 TRP 117 1.178 -3.746 0.138 914 HZ2 TRP 117 HZ2 TRP 117 -1.409 0.392 1.076 915 HZ3 TRP 117 HZ3 TRP 117 1.222 -2.735 2.399 916 HH2 TRP 117 HH2 TRP 117 -0.066 -0.670 2.873 917 H LEU 118 HN LEU 118 -1.724 -4.338 -4.783 918 HA LEU 118 HA LEU 118 -4.245 -3.442 -3.900 919 1HB LEU 118 HB2 LEU 118 -3.552 -4.837 -6.498 920 2HB LEU 118 HB1 LEU 118 -5.014 -3.895 -6.195 921 HG LEU 118 HG LEU 118 -2.207 -2.772 -5.921 922 1HD1 LEU 118 HD11 LEU 118 -2.595 -3.413 -8.248 923 2HD1 LEU 118 HD12 LEU 118 -2.660 -1.657 -8.098 924 3HD1 LEU 118 HD13 LEU 118 -4.153 -2.586 -8.240 925 1HD2 LEU 118 HD21 LEU 118 -4.998 -1.620 -5.765 926 2HD2 LEU 118 HD22 LEU 118 -3.655 -0.599 -6.272 927 3HD2 LEU 118 HD23 LEU 118 -3.630 -1.356 -4.685 928 H ALA 119 HN ALA 119 -3.059 -6.757 -4.146 929 HA ALA 119 HA ALA 119 -5.720 -7.993 -4.062 930 1HB ALA 119 HB1 ALA 119 -3.260 -9.016 -2.610 931 2HB ALA 119 HB2 ALA 119 -3.434 -9.216 -4.354 932 3HB ALA 119 HB3 ALA 119 -4.605 -9.954 -3.261 933 H ALA 120 HN ALA 120 -3.675 -7.895 -1.111 934 HA ALA 120 HA ALA 120 -5.921 -7.930 0.575 935 1HB ALA 120 HB1 ALA 120 -3.518 -8.157 1.286 936 2HB ALA 120 HB2 ALA 120 -4.499 -7.118 2.328 937 3HB ALA 120 HB3 ALA 120 -3.386 -6.401 1.166 938 H PHE 121 HN PHE 121 -5.379 -5.490 -1.631 939 HA PHE 121 HA PHE 121 -6.669 -3.429 0.112 940 1HB PHE 121 HB2 PHE 121 -4.407 -3.258 -1.573 941 2HB PHE 121 HB1 PHE 121 -5.670 -2.367 -2.405 942 HD1 PHE 121 HD1 PHE 121 -6.411 -0.241 -1.606 943 HD2 PHE 121 HD2 PHE 121 -3.802 -2.660 0.799 944 HE1 PHE 121 HE1 PHE 121 -6.049 1.674 -0.072 945 HE2 PHE 121 HE2 PHE 121 -3.445 -0.747 2.337 946 HZ PHE 121 HZ PHE 121 -4.568 1.420 1.901 947 H ALA 122 HN ALA 122 -6.902 -5.270 -2.791 948 HA ALA 122 HA ALA 122 -8.441 -3.899 -4.382 949 1HB ALA 122 HB1 ALA 122 -8.341 -6.812 -3.809 950 2HB ALA 122 HB2 ALA 122 -7.752 -5.919 -5.207 951 3HB ALA 122 HB3 ALA 122 -9.476 -6.254 -5.037 952 H ALA 123 HN ALA 123 -9.833 -6.614 -2.912 953 HA ALA 123 HA ALA 123 -12.597 -5.636 -2.467 954 1HB ALA 123 HB1 ALA 123 -13.143 -7.918 -1.984 955 2HB ALA 123 HB2 ALA 123 -11.450 -8.331 -1.707 956 3HB ALA 123 HB3 ALA 123 -12.014 -7.967 -3.340 957 H LEU 124 HN LEU 124 -10.790 -4.253 -0.919 958 HA LEU 124 HA LEU 124 -10.251 -5.336 1.567 959 1HB LEU 124 HB2 LEU 124 -10.068 -2.791 0.297 960 2HB LEU 124 HB1 LEU 124 -10.803 -2.496 1.872 961 HG LEU 124 HG LEU 124 -8.291 -4.141 1.484 962 1HD1 LEU 124 HD11 LEU 124 -6.995 -2.193 2.061 963 2HD1 LEU 124 HD12 LEU 124 -8.448 -1.262 2.423 964 3HD1 LEU 124 HD13 LEU 124 -8.075 -1.697 0.756 965 1HD2 LEU 124 HD21 LEU 124 -9.367 -4.597 3.579 966 2HD2 LEU 124 HD22 LEU 124 -9.610 -2.879 3.890 967 3HD2 LEU 124 HD23 LEU 124 -7.986 -3.562 3.911 968 HA PRO 125 HA PRO 125 -14.455 -3.096 2.901 969 1HB PRO 125 HB2 PRO 125 -16.171 -3.673 0.593 970 2HB PRO 125 HB1 PRO 125 -15.965 -2.156 1.487 971 1HG PRO 125 HG2 PRO 125 -14.939 -2.638 -1.066 972 2HG PRO 125 HG1 PRO 125 -14.349 -1.391 0.039 973 1HD PRO 125 HD2 PRO 125 -13.080 -3.910 -0.733 974 2HD PRO 125 HD1 PRO 125 -12.344 -2.497 0.038 975 H GLY 126 HN GLY 126 -15.077 -5.843 0.689 976 1HA GLY 126 HA2 GLY 126 -16.734 -6.996 2.805 977 2HA GLY 126 HA1 GLY 126 -16.457 -7.706 1.209 978 H SER 127 HN SER 127 -13.357 -7.284 1.984 979 HA SER 127 HA SER 127 -13.160 -9.878 3.475 980 1HB SER 127 HB2 SER 127 -12.306 -9.695 1.114 981 2HB SER 127 HB1 SER 127 -11.134 -8.523 1.711 982 HG SER 127 HG SER 127 -10.446 -10.148 3.201 983 H ALA 128 HN ALA 128 -12.865 -6.607 4.113 984 HA ALA 128 HA ALA 128 -11.527 -6.932 6.583 985 1HB ALA 128 HB1 ALA 128 -9.267 -5.783 5.584 986 2HB ALA 128 HB2 ALA 128 -9.727 -6.795 4.213 987 3HB ALA 128 HB3 ALA 128 -9.449 -7.524 5.791 988 H LYS 129 HN LYS 129 -12.735 -5.214 7.350 989 HA LYS 129 HA LYS 129 -11.910 -2.595 7.289 990 1HB LYS 129 HB2 LYS 129 -12.045 -2.057 5.060 991 2HB LYS 129 HB1 LYS 129 -13.325 -3.222 4.771 992 1HG LYS 129 HG2 LYS 129 -15.011 -1.734 5.564 993 2HG LYS 129 HG1 LYS 129 -13.829 -0.677 6.329 994 1HD LYS 129 HD2 LYS 129 -13.717 -1.101 3.356 995 2HD LYS 129 HD1 LYS 129 -14.930 -0.015 4.029 996 1HE LYS 129 HE2 LYS 129 -12.085 0.291 4.958 997 2HE LYS 129 HE1 LYS 129 -12.505 0.887 3.354 998 1HZ LYS 129 HZ1 LYS 129 -14.523 1.881 4.701 999 2HZ LYS 129 HZ2 LYS 129 -13.039 2.699 4.576 1000 3HZ LYS 129 HZ3 LYS 129 -13.406 1.807 5.975 1001 H ASP 130 HN ASP 130 -14.684 -4.598 6.994 1002 HA ASP 130 HA ASP 130 -16.897 -4.494 8.065 1003 1HB ASP 130 HB2 ASP 130 -15.669 -2.521 9.984 1004 2HB ASP 130 HB1 ASP 130 -16.895 -3.750 10.280 1005 HA PRO 131 HA PRO 131 -17.147 -0.278 5.905 1006 1HB PRO 131 HB2 PRO 131 -18.742 -1.268 3.792 1007 2HB PRO 131 HB1 PRO 131 -17.005 -0.965 3.710 1008 1HG PRO 131 HG2 PRO 131 -18.416 -3.553 3.848 1009 2HG PRO 131 HG1 PRO 131 -16.747 -3.220 3.385 1010 1HD PRO 131 HD2 PRO 131 -17.626 -4.349 5.856 1011 2HD PRO 131 HD1 PRO 131 -15.981 -3.818 5.465 1012 H SER 132 HN SER 132 -19.397 -2.909 6.435 1013 HA SER 132 HA SER 132 -21.556 -2.897 7.457 1014 1HB SER 132 HB2 SER 132 -22.278 -1.020 8.609 1015 2HB SER 132 HB1 SER 132 -20.583 -0.571 8.438 1016 HG SER 132 HG SER 132 -21.126 0.922 7.042 1017 H TRP 133 HN TRP 133 -20.989 -0.269 5.111 1018 HA TRP 133 HA TRP 133 -23.230 -1.409 3.444 1019 1HB TRP 133 HB2 TRP 133 -23.752 0.780 4.684 1020 2HB TRP 133 HB1 TRP 133 -22.585 1.541 3.604 1021 HD1 TRP 133 HD1 TRP 133 -23.249 1.864 1.092 1022 HE1 TRP 133 HE1 TRP 133 -25.463 1.591 -0.198 1023 HE3 TRP 133 HE3 TRP 133 -25.994 -0.669 4.575 1024 HZ2 TRP 133 HZ2 TRP 133 -28.056 0.449 0.194 1025 HZ3 TRP 133 HZ3 TRP 133 -28.330 -1.337 4.090 1026 HH2 TRP 133 HH2 TRP 133 -29.364 -0.782 1.906 1027 H ALA 134 HN ALA 134 -21.367 -2.516 2.338 1028 HA ALA 134 HA ALA 134 -19.736 -0.677 0.633 1029 1HB ALA 134 HB1 ALA 134 -18.518 -2.892 0.088 1030 2HB ALA 134 HB2 ALA 134 -19.426 -3.575 1.437 1031 3HB ALA 134 HB3 ALA 134 -18.308 -2.240 1.713 Start of MODEL 17 1 HT1 PRO 1 HT2 PRO 1 5.082 8.806 -0.411 2 HT2 PRO 1 HT1 PRO 1 4.809 10.272 0.402 3 HA PRO 1 HA PRO 1 7.172 8.737 0.287 4 1HB PRO 1 HB2 PRO 1 8.134 11.424 -0.291 5 2HB PRO 1 HB1 PRO 1 8.502 9.918 -1.145 6 1HG PRO 1 HG2 PRO 1 6.818 12.058 -2.041 7 2HG PRO 1 HG1 PRO 1 7.127 10.515 -2.854 8 1HD PRO 1 HD2 PRO 1 4.710 11.354 -1.513 9 2HD PRO 1 HD1 PRO 1 5.011 9.834 -2.360 10 H VAL 2 HN VAL 2 7.885 8.865 2.353 11 HA VAL 2 HA VAL 2 7.668 11.351 3.896 12 HB VAL 2 HB VAL 2 6.541 10.046 5.807 13 1HG1 VAL 2 HG11 VAL 2 4.573 10.266 3.547 14 2HG1 VAL 2 HG12 VAL 2 5.453 11.723 3.993 15 3HG1 VAL 2 HG13 VAL 2 4.472 10.896 5.189 16 1HG2 VAL 2 HG21 VAL 2 5.453 8.283 3.610 17 2HG2 VAL 2 HG22 VAL 2 5.431 8.016 5.351 18 3HG2 VAL 2 HG23 VAL 2 6.930 7.828 4.454 19 H MET 3 HN MET 3 9.362 11.515 5.261 20 HA MET 3 HA MET 3 11.173 9.147 5.519 21 1HB MET 3 HB2 MET 3 11.625 12.122 5.702 22 2HB MET 3 HB1 MET 3 12.871 10.895 5.951 23 1HG MET 3 HG2 MET 3 12.349 9.984 3.672 24 2HG MET 3 HG1 MET 3 11.228 11.323 3.429 25 1HE MET 3 HE1 MET 3 13.138 14.427 3.246 26 2HE MET 3 HE2 MET 3 13.096 13.883 4.921 27 3HE MET 3 HE3 MET 3 11.713 13.585 3.870 28 H HIS 4 HN HIS 4 11.760 8.434 7.572 29 HA HIS 4 HA HIS 4 11.071 10.059 9.957 30 1HB HIS 4 HB2 HIS 4 9.838 8.163 10.981 31 2HB HIS 4 HB1 HIS 4 9.026 8.782 9.543 32 HD1 HIS 4 HD1 HIS 4 10.116 5.691 11.010 33 HD2 HIS 4 HD2 HIS 4 9.889 7.152 7.112 34 HE1 HIS 4 HE1 HIS 4 10.211 3.674 9.482 35 HA PRO 5 HA PRO 5 14.996 7.598 10.251 36 1HB PRO 5 HB2 PRO 5 16.201 9.837 11.640 37 2HB PRO 5 HB1 PRO 5 16.587 9.232 10.024 38 1HG PRO 5 HG2 PRO 5 15.235 11.684 10.667 39 2HG PRO 5 HG1 PRO 5 15.523 11.015 9.055 40 1HD PRO 5 HD2 PRO 5 13.016 11.108 10.563 41 2HD PRO 5 HD1 PRO 5 13.266 10.631 8.870 42 H HIS 6 HN HIS 6 15.198 6.264 12.030 43 HA HIS 6 HA HIS 6 13.564 6.298 14.268 44 1HB HIS 6 HB2 HIS 6 16.453 5.391 14.341 45 2HB HIS 6 HB1 HIS 6 15.118 4.784 15.320 46 HD1 HIS 6 HD1 HIS 6 16.915 4.110 12.251 47 HD2 HIS 6 HD2 HIS 6 13.004 3.530 13.572 48 HE1 HIS 6 HE1 HIS 6 15.880 2.401 10.695 49 H GLY 7 HN GLY 7 13.284 8.306 15.268 50 1HA GLY 7 HA2 GLY 7 14.315 9.239 17.461 51 2HA GLY 7 HA1 GLY 7 15.715 9.604 16.454 52 H ALA 8 HN ALA 8 14.781 10.728 14.215 53 HA ALA 8 HA ALA 8 13.847 13.284 15.140 54 1HB ALA 8 HB1 ALA 8 14.546 13.996 13.068 55 2HB ALA 8 HB2 ALA 8 13.608 12.759 12.228 56 3HB ALA 8 HB3 ALA 8 15.184 12.365 12.906 57 HA PRO 9 HA PRO 9 9.495 12.863 14.415 58 1HB PRO 9 HB2 PRO 9 8.927 15.145 12.823 59 2HB PRO 9 HB1 PRO 9 9.037 15.124 14.591 60 1HG PRO 9 HG2 PRO 9 10.848 16.395 12.730 61 2HG PRO 9 HG1 PRO 9 10.970 16.354 14.496 62 1HD PRO 9 HD2 PRO 9 12.427 14.740 12.495 63 2HD PRO 9 HD1 PRO 9 12.805 15.005 14.214 64 HA PRO 10 HA PRO 10 8.660 11.193 10.429 65 1HB PRO 10 HB2 PRO 10 6.056 12.284 9.911 66 2HB PRO 10 HB1 PRO 10 6.431 10.701 10.608 67 1HG PRO 10 HG2 PRO 10 5.378 13.063 11.966 68 2HG PRO 10 HG1 PRO 10 5.597 11.431 12.613 69 1HD PRO 10 HD2 PRO 10 7.184 13.753 13.203 70 2HD PRO 10 HD1 PRO 10 7.460 12.092 13.759 71 H ASN 11 HN ASN 11 10.171 12.402 9.153 72 HA ASN 11 HA ASN 11 9.600 15.129 8.344 73 1HB ASN 11 HB2 ASN 11 11.713 13.091 7.785 74 2HB ASN 11 HB1 ASN 11 11.510 14.359 6.576 75 1HD2 ASN 11 HD21 ASN 11 10.980 16.620 8.070 76 2HD2 ASN 11 HD22 ASN 11 12.251 16.939 9.149 77 H HIS 12 HN HIS 12 7.417 14.719 7.566 78 HA HIS 12 HA HIS 12 6.883 13.022 5.307 79 1HB HIS 12 HB2 HIS 12 5.097 13.814 6.816 80 2HB HIS 12 HB1 HIS 12 5.392 15.473 6.296 81 HD1 HIS 12 HD1 HIS 12 3.553 12.427 5.391 82 HD2 HIS 12 HD2 HIS 12 4.788 15.896 3.440 83 HE1 HIS 12 HE1 HIS 12 2.227 12.547 3.236 84 H ARG 13 HN ARG 13 6.588 13.666 3.081 85 HA ARG 13 HA ARG 13 8.141 16.114 2.323 86 1HB ARG 13 HB2 ARG 13 7.687 13.458 0.969 87 2HB ARG 13 HB1 ARG 13 8.377 14.851 0.130 88 1HG ARG 13 HG2 ARG 13 10.255 14.926 1.545 89 2HG ARG 13 HG1 ARG 13 9.493 13.907 2.764 90 1HD ARG 13 HD2 ARG 13 11.255 12.751 1.314 91 2HD ARG 13 HD1 ARG 13 9.684 11.949 1.390 92 HE ARG 13 HE ARG 13 9.475 13.598 -0.827 93 1HH1 ARG 13 HH21 ARG 13 11.683 11.204 0.307 94 2HH1 ARG 13 HH22 ARG 13 12.131 10.675 -1.280 95 1HH2 ARG 13 HH11 ARG 13 10.048 12.920 -2.905 96 2HH2 ARG 13 HH12 ARG 13 11.205 11.646 -3.098 97 HA PRO 14 HA PRO 14 3.873 16.934 0.872 98 1HB PRO 14 HB2 PRO 14 3.909 19.643 1.363 99 2HB PRO 14 HB1 PRO 14 3.488 18.430 2.568 100 1HG PRO 14 HG2 PRO 14 5.975 20.039 2.350 101 2HG PRO 14 HG1 PRO 14 5.246 19.284 3.779 102 1HD PRO 14 HD2 PRO 14 7.448 18.281 2.267 103 2HD PRO 14 HD1 PRO 14 6.565 17.424 3.546 104 H TRP 15 HN TRP 15 4.934 20.052 0.112 105 HA TRP 15 HA TRP 15 5.568 21.092 -1.879 106 1HB TRP 15 HB2 TRP 15 7.489 19.338 -1.593 107 2HB TRP 15 HB1 TRP 15 6.663 18.457 -2.874 108 HD1 TRP 15 HD1 TRP 15 7.454 19.045 -5.203 109 HE1 TRP 15 HE1 TRP 15 8.534 21.095 -6.333 110 HE3 TRP 15 HE3 TRP 15 7.554 22.282 -1.253 111 HZ2 TRP 15 HZ2 TRP 15 9.335 23.755 -5.653 112 HZ3 TRP 15 HZ3 TRP 15 8.480 24.564 -1.522 113 HH2 TRP 15 HH2 TRP 15 9.370 25.305 -3.715 114 H GLN 16 HN GLN 16 3.638 18.242 -1.840 115 HA GLN 16 HA GLN 16 1.822 19.202 -3.810 116 1HB GLN 16 HB2 GLN 16 2.298 17.365 -5.532 117 2HB GLN 16 HB1 GLN 16 3.434 18.713 -5.507 118 1HG GLN 16 HG2 GLN 16 5.014 17.426 -4.184 119 2HG GLN 16 HG1 GLN 16 3.856 16.105 -4.022 120 1HE2 GLN 16 HE21 GLN 16 5.081 18.059 -6.812 121 2HE2 GLN 16 HE22 GLN 16 5.425 16.712 -7.786 122 H MET 17 HN MET 17 1.229 18.237 -1.360 123 HA MET 17 HA MET 17 0.936 15.398 -1.224 124 1HB MET 17 HB2 MET 17 -0.986 16.155 0.506 125 2HB MET 17 HB1 MET 17 0.723 16.332 0.900 126 1HG MET 17 HG2 MET 17 -0.725 18.395 1.293 127 2HG MET 17 HG1 MET 17 0.723 18.646 0.320 128 1HE MET 17 HE1 MET 17 -1.582 21.109 -1.437 129 2HE MET 17 HE2 MET 17 0.041 20.773 -0.841 130 3HE MET 17 HE3 MET 17 -1.316 20.789 0.282 131 H LYS 18 HN LYS 18 -0.364 17.351 -3.435 132 HA LYS 18 HA LYS 18 -3.139 16.736 -3.524 133 1HB LYS 18 HB2 LYS 18 -2.786 16.959 -6.069 134 2HB LYS 18 HB1 LYS 18 -2.350 18.357 -5.085 135 1HG LYS 18 HG2 LYS 18 -0.023 17.837 -5.198 136 2HG LYS 18 HG1 LYS 18 -0.343 16.228 -5.846 137 1HD LYS 18 HD2 LYS 18 0.383 17.683 -7.663 138 2HD LYS 18 HD1 LYS 18 -1.319 17.285 -7.887 139 1HE LYS 18 HE2 LYS 18 -0.523 19.784 -6.397 140 2HE LYS 18 HE1 LYS 18 -0.583 19.769 -8.159 141 1HZ LYS 18 HZ1 LYS 18 -2.740 19.697 -6.244 142 2HZ LYS 18 HZ2 LYS 18 -2.901 18.583 -7.517 143 3HZ LYS 18 HZ3 LYS 18 -2.731 20.240 -7.850 144 H ASP 19 HN ASP 19 -0.456 14.770 -3.607 145 HA ASP 19 HA ASP 19 -1.033 12.687 -5.423 146 1HB ASP 19 HB2 ASP 19 1.059 12.889 -4.155 147 2HB ASP 19 HB1 ASP 19 0.196 12.507 -2.665 148 H LEU 20 HN LEU 20 -1.431 12.358 -1.909 149 HA LEU 20 HA LEU 20 -3.417 10.320 -2.161 150 1HB LEU 20 HB2 LEU 20 -3.468 10.295 0.223 151 2HB LEU 20 HB1 LEU 20 -1.805 10.624 -0.255 152 HG LEU 20 HG LEU 20 -2.733 13.192 -0.069 153 1HD1 LEU 20 HD11 LEU 20 -4.258 11.575 2.001 154 2HD1 LEU 20 HD12 LEU 20 -4.954 12.601 0.749 155 3HD1 LEU 20 HD13 LEU 20 -4.040 13.322 2.069 156 1HD2 LEU 20 HD21 LEU 20 -1.638 13.275 2.135 157 2HD2 LEU 20 HD22 LEU 20 -0.709 12.280 1.014 158 3HD2 LEU 20 HD23 LEU 20 -1.714 11.516 2.246 159 H GLN 21 HN GLN 21 -3.641 13.829 -1.513 160 HA GLN 21 HA GLN 21 -6.327 14.010 -0.774 161 1HB GLN 21 HB2 GLN 21 -4.588 15.904 -1.194 162 2HB GLN 21 HB1 GLN 21 -5.185 15.880 -2.853 163 1HG GLN 21 HG2 GLN 21 -7.486 16.253 -2.030 164 2HG GLN 21 HG1 GLN 21 -6.880 16.302 -0.374 165 1HE2 GLN 21 HE21 GLN 21 -6.050 17.862 -3.534 166 2HE2 GLN 21 HE22 GLN 21 -5.824 19.408 -2.871 167 H ALA 22 HN ALA 22 -4.996 13.726 -4.057 168 HA ALA 22 HA ALA 22 -7.532 13.764 -5.388 169 1HB ALA 22 HB1 ALA 22 -5.350 14.011 -6.595 170 2HB ALA 22 HB2 ALA 22 -6.366 12.758 -7.309 171 3HB ALA 22 HB3 ALA 22 -5.010 12.310 -6.273 172 H ILE 23 HN ILE 23 -5.736 11.141 -3.794 173 HA ILE 23 HA ILE 23 -7.483 9.052 -4.764 174 HB ILE 23 HB ILE 23 -5.716 9.311 -2.333 175 1HG1 ILE 23 HG12 ILE 23 -5.699 7.153 -4.447 176 2HG1 ILE 23 HG11 ILE 23 -4.922 8.709 -4.734 177 1HG2 ILE 23 HG21 ILE 23 -6.352 6.800 -1.997 178 2HG2 ILE 23 HG22 ILE 23 -7.837 7.250 -2.828 179 3HG2 ILE 23 HG23 ILE 23 -7.396 8.049 -1.326 180 1HD1 ILE 23 HD11 ILE 23 -4.250 7.419 -2.136 181 2HD1 ILE 23 HD12 ILE 23 -3.213 8.272 -3.280 182 3HD1 ILE 23 HD13 ILE 23 -3.662 6.598 -3.577 183 H LYS 24 HN LYS 24 -7.435 10.416 -1.443 184 HA LYS 24 HA LYS 24 -9.893 9.786 -0.446 185 1HB LYS 24 HB2 LYS 24 -8.047 11.400 0.450 186 2HB LYS 24 HB1 LYS 24 -8.999 12.659 -0.333 187 1HG LYS 24 HG2 LYS 24 -11.012 11.796 0.939 188 2HG LYS 24 HG1 LYS 24 -9.909 10.752 1.839 189 1HD LYS 24 HD2 LYS 24 -8.594 12.816 2.458 190 2HD LYS 24 HD1 LYS 24 -9.883 13.780 1.736 191 1HE LYS 24 HE2 LYS 24 -10.365 11.734 3.917 192 2HE LYS 24 HE1 LYS 24 -10.087 13.446 4.240 193 1HZ LYS 24 HZ1 LYS 24 -11.983 13.415 2.273 194 2HZ LYS 24 HZ2 LYS 24 -12.253 13.710 3.924 195 3HZ LYS 24 HZ3 LYS 24 -12.444 12.143 3.295 196 H GLN 25 HN GLN 25 -9.441 12.572 -2.657 197 HA GLN 25 HA GLN 25 -11.944 13.585 -2.745 198 1HB GLN 25 HB2 GLN 25 -10.033 13.031 -4.996 199 2HB GLN 25 HB1 GLN 25 -11.582 13.801 -5.327 200 1HG GLN 25 HG2 GLN 25 -11.081 15.638 -3.869 201 2HG GLN 25 HG1 GLN 25 -9.663 14.818 -3.218 202 1HE2 GLN 25 HE21 GLN 25 -8.309 16.662 -3.952 203 2HE2 GLN 25 HE22 GLN 25 -7.901 16.820 -5.592 204 H GLU 26 HN GLU 26 -10.824 10.689 -4.486 205 HA GLU 26 HA GLU 26 -13.571 10.051 -5.378 206 1HB GLU 26 HB2 GLU 26 -10.985 9.683 -6.482 207 2HB GLU 26 HB1 GLU 26 -11.626 8.066 -6.203 208 1HG GLU 26 HG2 GLU 26 -13.696 8.713 -7.431 209 2HG GLU 26 HG1 GLU 26 -12.978 10.288 -7.765 210 H VAL 27 HN VAL 27 -11.559 9.077 -2.686 211 HA VAL 27 HA VAL 27 -12.479 6.370 -2.619 212 HB VAL 27 HB VAL 27 -11.795 6.185 -0.384 213 1HG1 VAL 27 HG11 VAL 27 -9.878 6.353 -1.716 214 2HG1 VAL 27 HG12 VAL 27 -9.563 7.485 -0.404 215 3HG1 VAL 27 HG13 VAL 27 -10.084 8.080 -1.978 216 1HG2 VAL 27 HG21 VAL 27 -12.833 7.917 0.816 217 2HG2 VAL 27 HG22 VAL 27 -12.191 9.168 -0.235 218 3HG2 VAL 27 HG23 VAL 27 -11.129 8.354 0.907 219 H SER 28 HN SER 28 -13.483 9.510 -1.730 220 HA SER 28 HA SER 28 -15.825 9.037 -0.151 221 1HB SER 28 HB2 SER 28 -15.235 11.333 -2.063 222 2HB SER 28 HB1 SER 28 -16.534 11.326 -0.873 223 HG SER 28 HG SER 28 -14.440 10.675 0.480 224 H GLN 29 HN GLN 29 -15.832 10.327 -3.462 225 HA GLN 29 HA GLN 29 -17.947 9.924 -4.854 226 1HB GLN 29 HB2 GLN 29 -15.716 9.732 -5.864 227 2HB GLN 29 HB1 GLN 29 -15.746 8.001 -5.543 228 1HG GLN 29 HG2 GLN 29 -16.503 8.315 -7.803 229 2HG GLN 29 HG1 GLN 29 -17.933 7.929 -6.852 230 1HE2 GLN 29 HE21 GLN 29 -19.463 9.682 -6.402 231 2HE2 GLN 29 HE22 GLN 29 -19.407 11.140 -7.269 232 H ALA 30 HN ALA 30 -16.337 6.926 -3.719 233 HA ALA 30 HA ALA 30 -18.773 5.309 -4.256 234 1HB ALA 30 HB1 ALA 30 -16.350 4.600 -4.747 235 2HB ALA 30 HB2 ALA 30 -17.394 3.414 -3.964 236 3HB ALA 30 HB3 ALA 30 -16.206 4.307 -3.012 237 H ALA 31 HN ALA 31 -18.362 3.375 -2.311 238 HA ALA 31 HA ALA 31 -19.809 4.508 -0.048 239 1HB ALA 31 HB1 ALA 31 -19.565 2.003 -1.277 240 2HB ALA 31 HB2 ALA 31 -20.428 2.312 0.223 241 3HB ALA 31 HB3 ALA 31 -18.746 1.767 0.264 242 HA PRO 32 HA PRO 32 -16.451 5.171 2.736 243 1HB PRO 32 HB2 PRO 32 -16.952 3.288 4.857 244 2HB PRO 32 HB1 PRO 32 -17.449 4.982 4.790 245 1HG PRO 32 HG2 PRO 32 -19.122 2.619 4.520 246 2HG PRO 32 HG1 PRO 32 -19.626 4.318 4.538 247 1HD PRO 32 HD2 PRO 32 -19.498 2.532 2.281 248 2HD PRO 32 HD1 PRO 32 -20.024 4.224 2.277 249 H GLY 33 HN GLY 33 -15.770 3.496 0.672 250 1HA GLY 33 HA2 GLY 33 -13.361 2.473 0.868 251 2HA GLY 33 HA1 GLY 33 -14.195 1.248 1.831 252 H SER 34 HN SER 34 -15.368 -0.314 0.784 253 HA SER 34 HA SER 34 -16.187 -1.616 -0.955 254 1HB SER 34 HB2 SER 34 -17.768 -0.428 -1.999 255 2HB SER 34 HB1 SER 34 -17.055 1.026 -1.321 256 HG SER 34 HG SER 34 -15.773 1.214 -3.158 257 HA PRO 35 HA PRO 35 -12.886 -2.417 -3.933 258 1HB PRO 35 HB2 PRO 35 -14.527 -2.240 -6.343 259 2HB PRO 35 HB1 PRO 35 -13.831 -3.682 -5.585 260 1HG PRO 35 HG2 PRO 35 -16.587 -2.947 -5.600 261 2HG PRO 35 HG1 PRO 35 -15.852 -4.256 -4.664 262 1HD PRO 35 HD2 PRO 35 -16.878 -1.710 -3.694 263 2HD PRO 35 HD1 PRO 35 -16.272 -3.078 -2.743 264 H GLN 36 HN GLN 36 -15.168 0.030 -5.210 265 HA GLN 36 HA GLN 36 -13.640 1.454 -6.971 266 1HB GLN 36 HB2 GLN 36 -15.387 2.495 -4.754 267 2HB GLN 36 HB1 GLN 36 -14.726 3.540 -6.013 268 1HG GLN 36 HG2 GLN 36 -16.316 1.043 -6.636 269 2HG GLN 36 HG1 GLN 36 -17.073 2.625 -6.447 270 1HE2 GLN 36 HE21 GLN 36 -15.006 0.680 -8.540 271 2HE2 GLN 36 HE22 GLN 36 -14.954 1.787 -9.826 272 H PHE 37 HN PHE 37 -13.135 1.429 -3.456 273 HA PHE 37 HA PHE 37 -11.563 3.590 -3.045 274 1HB PHE 37 HB2 PHE 37 -12.215 1.773 -1.443 275 2HB PHE 37 HB1 PHE 37 -10.832 0.847 -2.009 276 HD1 PHE 37 HD1 PHE 37 -9.430 3.974 -2.289 277 HD2 PHE 37 HD2 PHE 37 -10.998 1.392 0.787 278 HE1 PHE 37 HE1 PHE 37 -8.018 5.097 -0.620 279 HE2 PHE 37 HE2 PHE 37 -9.570 2.538 2.452 280 HZ PHE 37 HZ PHE 37 -8.081 4.388 1.750 281 H MET 38 HN MET 38 -10.585 0.338 -3.882 282 HA MET 38 HA MET 38 -7.854 0.455 -4.478 283 1HB MET 38 HB2 MET 38 -8.705 -1.708 -4.493 284 2HB MET 38 HB1 MET 38 -10.130 -1.256 -5.393 285 1HG MET 38 HG2 MET 38 -8.770 -2.627 -6.827 286 2HG MET 38 HG1 MET 38 -8.671 -0.999 -7.454 287 1HE MET 38 HE1 MET 38 -6.991 -2.735 -8.563 288 2HE MET 38 HE2 MET 38 -6.498 -3.908 -7.344 289 3HE MET 38 HE3 MET 38 -5.296 -2.848 -8.073 290 H GLN 39 HN GLN 39 -10.570 1.186 -6.633 291 HA GLN 39 HA GLN 39 -9.311 1.562 -9.048 292 1HB GLN 39 HB2 GLN 39 -11.757 2.009 -8.327 293 2HB GLN 39 HB1 GLN 39 -11.208 3.649 -7.969 294 1HG GLN 39 HG2 GLN 39 -12.007 3.704 -10.218 295 2HG GLN 39 HG1 GLN 39 -10.247 3.702 -10.330 296 1HE2 GLN 39 HE21 GLN 39 -13.067 1.472 -10.451 297 2HE2 GLN 39 HE22 GLN 39 -12.318 0.338 -11.468 298 H THR 40 HN THR 40 -9.489 3.914 -6.383 299 HA THR 40 HA THR 40 -7.560 5.761 -7.679 300 HB THR 40 HB THR 40 -7.929 6.414 -4.951 301 HG1 THR 40 HG1 THR 40 -9.512 4.868 -4.767 302 1HG2 THR 40 HG21 THR 40 -9.618 7.356 -7.274 303 2HG2 THR 40 HG22 THR 40 -8.027 8.000 -6.867 304 3HG2 THR 40 HG23 THR 40 -9.374 8.196 -5.746 305 H ILE 41 HN ILE 41 -7.309 3.312 -5.078 306 HA ILE 41 HA ILE 41 -4.492 4.124 -4.717 307 HB ILE 41 HB ILE 41 -5.833 1.537 -3.880 308 1HG1 ILE 41 HG12 ILE 41 -6.786 3.809 -2.974 309 2HG1 ILE 41 HG11 ILE 41 -6.450 2.509 -1.839 310 1HG2 ILE 41 HG21 ILE 41 -3.215 2.844 -3.193 311 2HG2 ILE 41 HG22 ILE 41 -3.499 1.220 -3.819 312 3HG2 ILE 41 HG23 ILE 41 -3.941 1.614 -2.160 313 1HD1 ILE 41 HD11 ILE 41 -4.374 3.518 -1.153 314 2HD1 ILE 41 HD12 ILE 41 -5.583 4.797 -1.134 315 3HD1 ILE 41 HD13 ILE 41 -4.437 4.691 -2.466 316 H ARG 42 HN ARG 42 -6.225 2.586 -7.078 317 HA ARG 42 HA ARG 42 -4.110 0.724 -7.931 318 1HB ARG 42 HB2 ARG 42 -6.539 0.240 -8.277 319 2HB ARG 42 HB1 ARG 42 -6.597 1.599 -9.392 320 1HG ARG 42 HG2 ARG 42 -4.398 -0.280 -10.016 321 2HG ARG 42 HG1 ARG 42 -5.974 -1.060 -10.065 322 1HD ARG 42 HD2 ARG 42 -6.798 0.545 -11.674 323 2HD ARG 42 HD1 ARG 42 -5.333 1.519 -11.522 324 HE ARG 42 HE ARG 42 -4.368 -0.942 -12.304 325 1HH1 ARG 42 HH21 ARG 42 -6.816 1.216 -13.418 326 2HH1 ARG 42 HH22 ARG 42 -6.633 0.774 -15.083 327 1HH2 ARG 42 HH11 ARG 42 -4.116 -1.530 -14.470 328 2HH2 ARG 42 HH12 ARG 42 -5.104 -0.780 -15.679 329 H LEU 43 HN LEU 43 -5.272 3.946 -8.653 330 HA LEU 43 HA LEU 43 -3.521 4.148 -11.043 331 1HB LEU 43 HB2 LEU 43 -5.951 5.439 -10.109 332 2HB LEU 43 HB1 LEU 43 -4.734 6.677 -10.391 333 HG LEU 43 HG LEU 43 -5.328 4.529 -12.435 334 1HD1 LEU 43 HD11 LEU 43 -7.420 5.737 -11.977 335 2HD1 LEU 43 HD12 LEU 43 -6.779 6.190 -13.557 336 3HD1 LEU 43 HD13 LEU 43 -6.584 7.277 -12.181 337 1HD2 LEU 43 HD21 LEU 43 -4.377 6.270 -13.960 338 2HD2 LEU 43 HD22 LEU 43 -3.227 5.737 -12.735 339 3HD2 LEU 43 HD23 LEU 43 -4.057 7.281 -12.552 340 H ALA 44 HN ALA 44 -3.558 4.842 -7.673 341 HA ALA 44 HA ALA 44 -1.328 6.837 -7.946 342 1HB ALA 44 HB1 ALA 44 -3.305 7.015 -6.236 343 2HB ALA 44 HB2 ALA 44 -1.667 7.335 -5.662 344 3HB ALA 44 HB3 ALA 44 -2.425 5.774 -5.344 345 H VAL 45 HN VAL 45 -1.840 3.529 -6.740 346 HA VAL 45 HA VAL 45 1.006 3.401 -6.004 347 HB VAL 45 HB VAL 45 -1.180 1.310 -5.967 348 1HG1 VAL 45 HG11 VAL 45 0.877 0.123 -6.244 349 2HG1 VAL 45 HG12 VAL 45 0.533 0.086 -4.515 350 3HG1 VAL 45 HG13 VAL 45 1.732 1.212 -5.151 351 1HG2 VAL 45 HG21 VAL 45 -1.219 1.689 -3.605 352 2HG2 VAL 45 HG22 VAL 45 -1.235 3.290 -4.344 353 3HG2 VAL 45 HG23 VAL 45 0.259 2.648 -3.665 354 H GLN 46 HN GLN 46 -1.032 2.371 -8.720 355 HA GLN 46 HA GLN 46 1.158 0.713 -9.806 356 1HB GLN 46 HB2 GLN 46 -1.364 0.213 -10.031 357 2HB GLN 46 HB1 GLN 46 -1.381 1.496 -11.244 358 1HG GLN 46 HG2 GLN 46 -1.018 -0.514 -12.465 359 2HG GLN 46 HG1 GLN 46 0.561 0.266 -12.361 360 1HE2 GLN 46 HE21 GLN 46 -1.430 -2.118 -10.514 361 2HE2 GLN 46 HE22 GLN 46 -0.111 -3.084 -10.060 362 H GLN 47 HN GLN 47 -0.201 3.940 -10.237 363 HA GLN 47 HA GLN 47 1.221 4.292 -12.763 364 1HB GLN 47 HB2 GLN 47 -1.050 5.289 -11.996 365 2HB GLN 47 HB1 GLN 47 -0.058 6.541 -11.246 366 1HG GLN 47 HG2 GLN 47 -0.627 7.315 -13.438 367 2HG GLN 47 HG1 GLN 47 1.064 6.819 -13.510 368 1HE2 GLN 47 HE21 GLN 47 1.608 5.140 -14.972 369 2HE2 GLN 47 HE22 GLN 47 0.466 4.286 -15.893 370 H PHE 48 HN PHE 48 1.320 5.886 -9.551 371 HA PHE 48 HA PHE 48 3.967 7.051 -10.216 372 1HB PHE 48 HB2 PHE 48 2.090 7.452 -7.873 373 2HB PHE 48 HB1 PHE 48 3.637 8.277 -8.059 374 HD1 PHE 48 HD1 PHE 48 0.211 7.933 -9.377 375 HD2 PHE 48 HD2 PHE 48 3.965 9.985 -9.766 376 HE1 PHE 48 HE1 PHE 48 -0.865 9.624 -10.836 377 HE2 PHE 48 HE2 PHE 48 2.889 11.676 -11.226 378 HZ PHE 48 HZ PHE 48 0.474 11.496 -11.761 379 H ASP 49 HN ASP 49 2.991 4.131 -8.958 380 HA ASP 49 HA ASP 49 3.858 2.830 -7.071 381 1HB ASP 49 HB2 ASP 49 6.296 2.248 -7.904 382 2HB ASP 49 HB1 ASP 49 4.894 1.791 -8.877 383 HA PRO 50 HA PRO 50 6.199 6.214 -4.912 384 1HB PRO 50 HB2 PRO 50 4.639 5.722 -2.534 385 2HB PRO 50 HB1 PRO 50 4.578 7.145 -3.583 386 1HG PRO 50 HG2 PRO 50 2.572 5.090 -3.324 387 2HG PRO 50 HG1 PRO 50 2.551 6.478 -4.421 388 1HD PRO 50 HD2 PRO 50 3.073 3.671 -5.058 389 2HD PRO 50 HD1 PRO 50 2.856 5.031 -6.181 390 H THR 51 HN THR 51 7.676 5.851 -3.059 391 HA THR 51 HA THR 51 8.629 3.117 -2.948 392 HB THR 51 HB THR 51 10.207 4.009 -1.213 393 HG1 THR 51 HG1 THR 51 8.408 5.703 -0.749 394 1HG2 THR 51 HG21 THR 51 10.968 4.162 -3.451 395 2HG2 THR 51 HG22 THR 51 11.219 5.773 -2.777 396 3HG2 THR 51 HG23 THR 51 9.840 5.464 -3.832 397 H ALA 52 HN ALA 52 8.968 2.067 -0.675 398 HA ALA 52 HA ALA 52 6.433 1.498 0.431 399 1HB ALA 52 HB1 ALA 52 8.377 0.022 0.740 400 2HB ALA 52 HB2 ALA 52 7.674 0.446 2.300 401 3HB ALA 52 HB3 ALA 52 9.152 1.240 1.753 402 H LYS 53 HN LYS 53 8.527 4.152 0.903 403 HA LYS 53 HA LYS 53 8.044 5.039 3.516 404 1HB LYS 53 HB2 LYS 53 8.125 6.740 1.017 405 2HB LYS 53 HB1 LYS 53 8.459 7.289 2.655 406 1HG LYS 53 HG2 LYS 53 10.067 5.009 1.510 407 2HG LYS 53 HG1 LYS 53 10.465 6.663 1.057 408 1HD LYS 53 HD2 LYS 53 10.856 7.285 3.349 409 2HD LYS 53 HD1 LYS 53 10.211 5.753 3.936 410 1HE LYS 53 HE2 LYS 53 12.648 5.984 2.152 411 2HE LYS 53 HE1 LYS 53 12.723 5.841 3.908 412 1HZ LYS 53 HZ1 LYS 53 12.006 3.848 1.909 413 2HZ LYS 53 HZ2 LYS 53 11.122 3.817 3.360 414 3HZ LYS 53 HZ3 LYS 53 12.814 3.660 3.389 415 H ASP 54 HN ASP 54 6.214 6.178 0.634 416 HA ASP 54 HA ASP 54 4.080 7.500 1.882 417 1HB ASP 54 HB2 ASP 54 4.536 7.105 -0.632 418 2HB ASP 54 HB1 ASP 54 3.681 5.580 -0.413 419 H LEU 55 HN LEU 55 4.171 4.003 1.111 420 HA LEU 55 HA LEU 55 1.708 3.307 2.208 421 1HB LEU 55 HB2 LEU 55 4.332 1.819 2.152 422 2HB LEU 55 HB1 LEU 55 2.912 1.101 2.904 423 HG LEU 55 HG LEU 55 1.650 1.364 0.813 424 1HD1 LEU 55 HD11 LEU 55 4.220 2.664 -0.106 425 2HD1 LEU 55 HD12 LEU 55 2.585 3.322 -0.164 426 3HD1 LEU 55 HD13 LEU 55 3.045 2.010 -1.248 427 1HD2 LEU 55 HD21 LEU 55 4.362 0.063 0.403 428 2HD2 LEU 55 HD22 LEU 55 2.915 -0.266 -0.549 429 3HD2 LEU 55 HD23 LEU 55 2.963 -0.699 1.160 430 H GLN 56 HN GLN 56 4.587 4.311 3.940 431 HA GLN 56 HA GLN 56 3.730 3.338 6.527 432 1HB GLN 56 HB2 GLN 56 5.579 5.666 5.945 433 2HB GLN 56 HB1 GLN 56 5.468 4.758 7.451 434 1HG GLN 56 HG2 GLN 56 6.057 2.683 6.066 435 2HG GLN 56 HG1 GLN 56 6.497 3.804 4.780 436 1HE2 GLN 56 HE21 GLN 56 7.475 2.540 7.906 437 2HE2 GLN 56 HE22 GLN 56 8.958 3.362 7.985 438 H ASP 57 HN ASP 57 3.744 6.636 5.129 439 HA ASP 57 HA ASP 57 1.870 7.532 7.245 440 1HB ASP 57 HB2 ASP 57 3.313 8.927 4.997 441 2HB ASP 57 HB1 ASP 57 2.098 9.746 5.979 442 H LEU 58 HN LEU 58 1.498 6.087 4.218 443 HA LEU 58 HA LEU 58 -1.048 7.538 3.651 444 1HB LEU 58 HB2 LEU 58 0.486 6.868 1.765 445 2HB LEU 58 HB1 LEU 58 0.220 5.182 2.194 446 HG LEU 58 HG LEU 58 -2.258 6.818 1.783 447 1HD1 LEU 58 HD11 LEU 58 -0.513 5.971 -0.549 448 2HD1 LEU 58 HD12 LEU 58 -0.816 7.636 -0.052 449 3HD1 LEU 58 HD13 LEU 58 -2.140 6.643 -0.663 450 1HD2 LEU 58 HD21 LEU 58 -1.353 4.057 0.890 451 2HD2 LEU 58 HD22 LEU 58 -2.953 4.731 0.591 452 3HD2 LEU 58 HD23 LEU 58 -2.425 4.418 2.241 453 H LEU 59 HN LEU 59 0.157 4.647 5.109 454 HA LEU 59 HA LEU 59 -2.564 3.451 5.305 455 1HB LEU 59 HB2 LEU 59 -0.607 1.982 4.822 456 2HB LEU 59 HB1 LEU 59 0.139 2.504 6.329 457 HG LEU 59 HG LEU 59 -1.814 1.577 7.578 458 1HD1 LEU 59 HD11 LEU 59 -3.638 1.553 6.113 459 2HD1 LEU 59 HD12 LEU 59 -3.167 -0.142 6.109 460 3HD1 LEU 59 HD13 LEU 59 -2.691 0.908 4.774 461 1HD2 LEU 59 HD21 LEU 59 -1.262 -0.860 7.018 462 2HD2 LEU 59 HD22 LEU 59 0.108 0.170 7.428 463 3HD2 LEU 59 HD23 LEU 59 -0.224 -0.226 5.742 464 H GLN 60 HN GLN 60 -0.338 5.394 7.128 465 HA GLN 60 HA GLN 60 -1.755 4.825 9.669 466 1HB GLN 60 HB2 GLN 60 0.589 6.595 8.955 467 2HB GLN 60 HB1 GLN 60 -0.093 6.497 10.577 468 1HG GLN 60 HG2 GLN 60 0.396 4.128 10.709 469 2HG GLN 60 HG1 GLN 60 0.903 4.096 9.020 470 1HE2 GLN 60 HE21 GLN 60 1.751 6.827 11.094 471 2HE2 GLN 60 HE22 GLN 60 3.407 6.470 11.194 472 H TYR 61 HN TYR 61 -1.805 7.245 7.128 473 HA TYR 61 HA TYR 61 -3.456 9.051 8.873 474 1HB TYR 61 HB2 TYR 61 -1.857 9.602 6.368 475 2HB TYR 61 HB1 TYR 61 -2.998 10.754 7.058 476 HD1 TYR 61 HD1 TYR 61 -2.295 12.218 8.759 477 HD2 TYR 61 HD2 TYR 61 -0.054 8.635 7.994 478 HE1 TYR 61 HE1 TYR 61 -0.573 12.947 10.388 479 HE2 TYR 61 HE2 TYR 61 1.668 9.364 9.622 480 HH TYR 61 HH TYR 61 2.300 12.080 10.535 481 H LEU 62 HN LEU 62 -3.320 7.776 5.508 482 HA LEU 62 HA LEU 62 -6.018 8.686 4.946 483 1HB LEU 62 HB2 LEU 62 -4.108 7.997 3.269 484 2HB LEU 62 HB1 LEU 62 -4.721 6.365 3.515 485 HG LEU 62 HG LEU 62 -7.073 7.479 3.013 486 1HD1 LEU 62 HD11 LEU 62 -6.304 9.798 2.935 487 2HD1 LEU 62 HD12 LEU 62 -6.841 9.312 1.329 488 3HD1 LEU 62 HD13 LEU 62 -5.119 9.393 1.694 489 1HD2 LEU 62 HD21 LEU 62 -5.038 7.038 0.802 490 2HD2 LEU 62 HD22 LEU 62 -6.791 6.947 0.639 491 3HD2 LEU 62 HD23 LEU 62 -5.936 5.756 1.616 492 H CYS 63 HN CYS 63 -4.685 5.783 6.365 493 HA CYS 63 HA CYS 63 -7.450 4.645 6.518 494 1HB CYS 63 HB2 CYS 63 -4.933 3.148 7.237 495 2HB CYS 63 HB1 CYS 63 -6.492 2.514 6.720 496 HG CYS 63 HG CYS 63 -5.992 3.317 4.298 497 H SER 64 HN SER 64 -6.284 2.965 8.845 498 HA SER 64 HA SER 64 -5.623 4.932 10.883 499 1HB SER 64 HB2 SER 64 -8.214 3.448 11.317 500 2HB SER 64 HB1 SER 64 -7.580 4.831 12.205 501 HG SER 64 HG SER 64 -8.913 5.816 10.860 502 H SER 65 HN SER 65 -5.522 3.827 13.093 503 HA SER 65 HA SER 65 -3.707 1.802 13.206 504 1HB SER 65 HB2 SER 65 -4.516 2.971 15.203 505 2HB SER 65 HB1 SER 65 -6.055 2.122 15.093 506 HG SER 65 HG SER 65 -4.001 0.384 14.992 507 H LEU 66 HN LEU 66 -7.187 0.979 13.728 508 HA LEU 66 HA LEU 66 -6.952 -1.766 13.575 509 1HB LEU 66 HB2 LEU 66 -9.126 0.116 12.676 510 2HB LEU 66 HB1 LEU 66 -9.314 -1.619 12.446 511 HG LEU 66 HG LEU 66 -10.314 -0.757 14.585 512 1HD1 LEU 66 HD11 LEU 66 -9.170 -3.140 14.184 513 2HD1 LEU 66 HD12 LEU 66 -9.789 -2.671 15.763 514 3HD1 LEU 66 HD13 LEU 66 -8.065 -2.556 15.429 515 1HD2 LEU 66 HD21 LEU 66 -8.887 0.000 16.372 516 2HD2 LEU 66 HD22 LEU 66 -8.495 0.959 14.946 517 3HD2 LEU 66 HD23 LEU 66 -7.434 -0.361 15.441 518 H VAL 67 HN VAL 67 -8.147 0.011 10.740 519 HA VAL 67 HA VAL 67 -8.024 -1.761 8.796 520 HB VAL 67 HB VAL 67 -6.567 0.840 8.333 521 1HG1 VAL 67 HG11 VAL 67 -8.328 -0.943 6.629 522 2HG1 VAL 67 HG12 VAL 67 -6.615 -0.598 6.390 523 3HG1 VAL 67 HG13 VAL 67 -7.813 0.672 6.144 524 1HG2 VAL 67 HG21 VAL 67 -9.527 0.283 8.662 525 2HG2 VAL 67 HG22 VAL 67 -8.892 1.757 7.932 526 3HG2 VAL 67 HG23 VAL 67 -8.538 1.386 9.619 527 H ALA 68 HN ALA 68 -4.991 -0.194 9.947 528 HA ALA 68 HA ALA 68 -3.183 -1.475 8.200 529 1HB ALA 68 HB1 ALA 68 -2.692 -0.861 11.134 530 2HB ALA 68 HB2 ALA 68 -2.582 0.334 9.841 531 3HB ALA 68 HB3 ALA 68 -1.466 -1.032 9.877 532 H SER 69 HN SER 69 -4.654 -2.600 11.210 533 HA SER 69 HA SER 69 -3.282 -5.115 11.535 534 1HB SER 69 HB2 SER 69 -4.759 -4.055 13.208 535 2HB SER 69 HB1 SER 69 -6.145 -4.407 12.191 536 HG SER 69 HG SER 69 -5.086 -6.656 12.255 537 H LEU 70 HN LEU 70 -6.665 -4.773 10.619 538 HA LEU 70 HA LEU 70 -7.396 -6.993 9.399 539 1HB LEU 70 HB2 LEU 70 -7.978 -4.354 8.094 540 2HB LEU 70 HB1 LEU 70 -9.008 -5.776 8.246 541 HG LEU 70 HG LEU 70 -8.149 -3.877 10.441 542 1HD1 LEU 70 HD11 LEU 70 -10.089 -3.212 9.077 543 2HD1 LEU 70 HD12 LEU 70 -10.588 -3.631 10.716 544 3HD1 LEU 70 HD13 LEU 70 -10.851 -4.770 9.395 545 1HD2 LEU 70 HD21 LEU 70 -7.984 -6.033 11.460 546 2HD2 LEU 70 HD22 LEU 70 -9.396 -6.633 10.591 547 3HD2 LEU 70 HD23 LEU 70 -9.592 -5.448 11.883 548 H HIS 71 HN HIS 71 -6.410 -4.337 7.242 549 HA HIS 71 HA HIS 71 -6.316 -5.931 5.069 550 1HB HIS 71 HB2 HIS 71 -6.308 -3.746 4.329 551 2HB HIS 71 HB1 HIS 71 -5.303 -3.216 5.669 552 HD1 HIS 71 HD1 HIS 71 -2.651 -4.217 5.354 553 HD2 HIS 71 HD2 HIS 71 -4.944 -3.513 1.951 554 HE1 HIS 71 HE1 HIS 71 -1.025 -4.017 3.424 555 H HIS 72 HN HIS 72 -3.396 -4.872 6.933 556 HA HIS 72 HA HIS 72 -1.681 -6.409 5.303 557 1HB HIS 72 HB2 HIS 72 0.068 -5.638 6.667 558 2HB HIS 72 HB1 HIS 72 -1.190 -4.548 7.240 559 HD1 HIS 72 HD1 HIS 72 -2.772 -6.118 9.184 560 HD2 HIS 72 HD2 HIS 72 1.363 -6.572 8.914 561 HE1 HIS 72 HE1 HIS 72 -2.012 -7.092 11.396 562 H GLN 73 HN GLN 73 -3.884 -7.263 7.692 563 HA GLN 73 HA GLN 73 -2.840 -9.697 8.726 564 1HB GLN 73 HB2 GLN 73 -5.207 -8.497 9.092 565 2HB GLN 73 HB1 GLN 73 -5.720 -9.605 7.819 566 1HG GLN 73 HG2 GLN 73 -6.121 -10.693 9.925 567 2HG GLN 73 HG1 GLN 73 -4.726 -11.484 9.189 568 1HE2 GLN 73 HE21 GLN 73 -5.485 -8.801 11.482 569 2HE2 GLN 73 HE22 GLN 73 -4.116 -9.049 12.453 570 H GLN 74 HN GLN 74 -4.893 -9.197 5.824 571 HA GLN 74 HA GLN 74 -4.689 -11.668 4.653 572 1HB GLN 74 HB2 GLN 74 -4.542 -8.942 3.334 573 2HB GLN 74 HB1 GLN 74 -4.691 -10.435 2.405 574 1HG GLN 74 HG2 GLN 74 -6.738 -11.003 3.718 575 2HG GLN 74 HG1 GLN 74 -6.614 -9.443 4.531 576 1HE2 GLN 74 HE21 GLN 74 -7.389 -11.012 1.456 577 2HE2 GLN 74 HE22 GLN 74 -8.023 -9.628 0.706 578 H LEU 75 HN LEU 75 -2.599 -8.919 3.583 579 HA LEU 75 HA LEU 75 -0.370 -9.981 2.394 580 1HB LEU 75 HB2 LEU 75 -0.970 -7.576 3.407 581 2HB LEU 75 HB1 LEU 75 0.130 -8.109 4.673 582 HG LEU 75 HG LEU 75 0.747 -7.971 1.694 583 1HD1 LEU 75 HD11 LEU 75 2.240 -6.171 2.302 584 2HD1 LEU 75 HD12 LEU 75 1.941 -6.432 4.020 585 3HD1 LEU 75 HD13 LEU 75 0.658 -5.802 2.988 586 1HD2 LEU 75 HD21 LEU 75 2.374 -8.916 4.078 587 2HD2 LEU 75 HD22 LEU 75 3.084 -8.521 2.513 588 3HD2 LEU 75 HD23 LEU 75 1.935 -9.848 2.649 589 H ASP 76 HN ASP 76 -0.446 -9.615 5.940 590 HA ASP 76 HA ASP 76 1.692 -10.797 6.978 591 1HB ASP 76 HB2 ASP 76 -0.649 -10.375 8.039 592 2HB ASP 76 HB1 ASP 76 -0.902 -12.093 7.774 593 H SER 77 HN SER 77 -0.976 -13.029 6.286 594 HA SER 77 HA SER 77 0.809 -15.282 5.882 595 1HB SER 77 HB2 SER 77 -2.180 -14.910 5.608 596 2HB SER 77 HB1 SER 77 -1.352 -16.453 5.370 597 HG SER 77 HG SER 77 -2.078 -16.250 7.514 598 H LEU 78 HN LEU 78 -0.962 -13.012 3.789 599 HA LEU 78 HA LEU 78 -1.102 -14.557 1.513 600 1HB LEU 78 HB2 LEU 78 -1.574 -11.905 2.023 601 2HB LEU 78 HB1 LEU 78 -0.160 -11.771 0.980 602 HG LEU 78 HG LEU 78 -2.558 -13.456 0.271 603 1HD1 LEU 78 HD11 LEU 78 -1.969 -10.611 -0.618 604 2HD1 LEU 78 HD12 LEU 78 -3.202 -11.049 0.564 605 3HD1 LEU 78 HD13 LEU 78 -3.348 -11.596 -1.106 606 1HD2 LEU 78 HD21 LEU 78 -0.275 -12.269 -1.336 607 2HD2 LEU 78 HD22 LEU 78 -1.614 -13.189 -2.020 608 3HD2 LEU 78 HD23 LEU 78 -0.477 -13.971 -0.922 609 H ILE 79 HN ILE 79 1.672 -12.426 2.495 610 HA ILE 79 HA ILE 79 3.522 -13.202 0.565 611 HB ILE 79 HB ILE 79 3.513 -12.131 3.345 612 1HG1 ILE 79 HG12 ILE 79 3.689 -10.660 1.388 613 2HG1 ILE 79 HG11 ILE 79 5.132 -10.530 2.384 614 1HG2 ILE 79 HG21 ILE 79 6.056 -12.381 3.499 615 2HG2 ILE 79 HG22 ILE 79 5.898 -13.666 2.300 616 3HG2 ILE 79 HG23 ILE 79 5.098 -13.815 3.865 617 1HD1 ILE 79 HD11 ILE 79 6.244 -10.833 0.425 618 2HD1 ILE 79 HD12 ILE 79 4.826 -11.503 -0.377 619 3HD1 ILE 79 HD13 ILE 79 5.841 -12.538 0.622 620 H SER 80 HN SER 80 2.990 -14.676 3.818 621 HA SER 80 HA SER 80 4.680 -16.870 3.591 622 1HB SER 80 HB2 SER 80 3.032 -16.290 5.489 623 2HB SER 80 HB1 SER 80 1.842 -17.214 4.577 624 HG SER 80 HG SER 80 4.400 -18.166 5.368 625 H GLU 81 HN GLU 81 1.293 -16.759 2.375 626 HA GLU 81 HA GLU 81 1.594 -19.311 1.038 627 1HB GLU 81 HB2 GLU 81 -0.476 -17.115 0.748 628 2HB GLU 81 HB1 GLU 81 -0.596 -18.711 0.005 629 1HG GLU 81 HG2 GLU 81 -0.524 -19.769 2.222 630 2HG GLU 81 HG1 GLU 81 -0.362 -18.186 2.983 631 H ALA 82 HN ALA 82 2.359 -15.992 0.182 632 HA ALA 82 HA ALA 82 1.998 -16.426 -2.560 633 1HB ALA 82 HB1 ALA 82 2.163 -14.156 -1.490 634 2HB ALA 82 HB2 ALA 82 3.099 -14.299 -2.981 635 3HB ALA 82 HB3 ALA 82 3.915 -14.366 -1.420 636 H GLU 83 HN GLU 83 4.675 -16.993 -0.351 637 HA GLU 83 HA GLU 83 6.647 -17.226 -2.456 638 1HB GLU 83 HB2 GLU 83 8.141 -18.088 -0.515 639 2HB GLU 83 HB1 GLU 83 7.524 -16.443 -0.357 640 1HG GLU 83 HG2 GLU 83 5.744 -17.204 1.106 641 2HG GLU 83 HG1 GLU 83 6.189 -18.887 0.838 642 H THR 84 HN THR 84 4.722 -19.509 -0.495 643 HA THR 84 HA THR 84 6.069 -21.906 -1.262 644 HB THR 84 HB THR 84 4.310 -22.139 0.309 645 HG1 THR 84 HG1 THR 84 3.253 -23.111 -2.123 646 1HG2 THR 84 HG21 THR 84 2.314 -21.133 -1.706 647 2HG2 THR 84 HG22 THR 84 3.074 -20.107 -0.499 648 3HG2 THR 84 HG23 THR 84 2.066 -21.448 0.009 649 H ARG 85 HN ARG 85 3.404 -20.126 -2.747 650 HA ARG 85 HA ARG 85 2.736 -21.403 -5.031 651 1HB ARG 85 HB2 ARG 85 1.724 -19.328 -4.832 652 2HB ARG 85 HB1 ARG 85 3.219 -18.525 -4.403 653 1HG ARG 85 HG2 ARG 85 2.860 -19.597 -7.193 654 2HG ARG 85 HG1 ARG 85 2.116 -18.068 -6.749 655 1HD ARG 85 HD2 ARG 85 4.108 -16.965 -6.912 656 2HD ARG 85 HD1 ARG 85 4.952 -18.155 -5.910 657 HE ARG 85 HE ARG 85 4.686 -19.504 -8.270 658 1HH1 ARG 85 HH21 ARG 85 5.692 -16.303 -7.465 659 2HH1 ARG 85 HH22 ARG 85 6.864 -16.214 -8.737 660 1HH2 ARG 85 HH11 ARG 85 6.208 -19.398 -9.929 661 2HH2 ARG 85 HH12 ARG 85 7.156 -17.962 -10.129 662 H GLY 86 HN GLY 86 5.842 -19.793 -4.495 663 1HA GLY 86 HA2 GLY 86 7.294 -21.365 -6.329 664 2HA GLY 86 HA1 GLY 86 6.793 -19.905 -7.186 665 H ILE 87 HN ILE 87 7.343 -17.784 -6.085 666 HA ILE 87 HA ILE 87 10.000 -17.401 -5.590 667 HB ILE 87 HB ILE 87 8.042 -15.876 -3.879 668 1HG1 ILE 87 HG12 ILE 87 8.475 -15.438 -6.843 669 2HG1 ILE 87 HG11 ILE 87 7.006 -16.100 -6.126 670 1HG2 ILE 87 HG21 ILE 87 10.407 -14.953 -5.493 671 2HG2 ILE 87 HG22 ILE 87 10.478 -15.401 -3.787 672 3HG2 ILE 87 HG23 ILE 87 9.502 -14.024 -4.296 673 1HD1 ILE 87 HD11 ILE 87 6.597 -13.767 -6.451 674 2HD1 ILE 87 HD12 ILE 87 8.155 -13.334 -5.745 675 3HD1 ILE 87 HD13 ILE 87 6.875 -13.990 -4.723 676 H THR 88 HN THR 88 10.715 -19.355 -4.307 677 HA THR 88 HA THR 88 9.735 -19.881 -1.673 678 HB THR 88 HB THR 88 12.580 -20.376 -2.589 679 HG1 THR 88 HG1 THR 88 10.868 -21.051 -4.097 680 1HG2 THR 88 HG21 THR 88 12.150 -20.889 -0.253 681 2HG2 THR 88 HG22 THR 88 12.281 -22.402 -1.150 682 3HG2 THR 88 HG23 THR 88 10.695 -21.788 -0.684 683 H SER 89 HN SER 89 9.764 -17.249 -1.604 684 HA SER 89 HA SER 89 10.545 -15.407 -0.364 685 1HB SER 89 HB2 SER 89 10.943 -17.384 1.365 686 2HB SER 89 HB1 SER 89 12.637 -17.139 0.951 687 HG SER 89 HG SER 89 11.016 -15.660 2.518 688 H TYR 90 HN TYR 90 12.150 -17.111 -2.629 689 HA TYR 90 HA TYR 90 14.073 -16.778 -3.864 690 1HB TYR 90 HB2 TYR 90 12.578 -15.082 -4.680 691 2HB TYR 90 HB1 TYR 90 13.060 -14.015 -3.374 692 HD1 TYR 90 HD1 TYR 90 15.871 -15.904 -4.803 693 HD2 TYR 90 HD2 TYR 90 13.436 -12.379 -5.293 694 HE1 TYR 90 HE1 TYR 90 17.591 -14.910 -6.248 695 HE2 TYR 90 HE2 TYR 90 15.183 -11.397 -6.746 696 HH TYR 90 HH TYR 90 17.606 -13.135 -8.142 697 H ASN 91 HN ASN 91 14.384 -13.757 -2.098 698 HA ASN 91 HA ASN 91 16.034 -14.490 -0.118 699 1HB ASN 91 HB2 ASN 91 17.492 -14.587 -2.664 700 2HB ASN 91 HB1 ASN 91 18.315 -13.539 -1.513 701 1HD2 ASN 91 HD21 ASN 91 18.650 -14.583 0.751 702 2HD2 ASN 91 HD22 ASN 91 19.010 -16.241 0.787 703 HA PRO 92 HA PRO 92 16.578 -9.797 -0.889 704 1HB PRO 92 HB2 PRO 92 14.334 -9.057 -2.623 705 2HB PRO 92 HB1 PRO 92 16.055 -8.697 -2.830 706 1HG PRO 92 HG2 PRO 92 14.626 -10.518 -4.408 707 2HG PRO 92 HG1 PRO 92 16.385 -10.501 -4.234 708 1HD PRO 92 HD2 PRO 92 14.406 -12.330 -2.995 709 2HD PRO 92 HD1 PRO 92 16.112 -12.637 -3.369 710 H LEU 93 HN LEU 93 13.196 -10.936 -1.374 711 HA LEU 93 HA LEU 93 11.840 -9.298 0.486 712 1HB LEU 93 HB2 LEU 93 11.274 -12.261 0.427 713 2HB LEU 93 HB1 LEU 93 10.150 -10.919 0.619 714 HG LEU 93 HG LEU 93 11.111 -10.332 -1.858 715 1HD1 LEU 93 HD11 LEU 93 11.597 -12.241 -3.142 716 2HD1 LEU 93 HD12 LEU 93 10.961 -13.343 -1.922 717 3HD1 LEU 93 HD13 LEU 93 12.496 -12.520 -1.648 718 1HD2 LEU 93 HD21 LEU 93 8.861 -12.199 -1.075 719 2HD2 LEU 93 HD22 LEU 93 9.102 -11.651 -2.734 720 3HD2 LEU 93 HD23 LEU 93 8.760 -10.480 -1.460 721 H ALA 94 HN ALA 94 13.138 -12.445 1.043 722 HA ALA 94 HA ALA 94 13.342 -13.422 3.378 723 1HB ALA 94 HB1 ALA 94 15.222 -13.412 1.713 724 2HB ALA 94 HB2 ALA 94 15.668 -13.626 3.410 725 3HB ALA 94 HB3 ALA 94 15.902 -12.061 2.629 726 H GLY 95 HN GLY 95 14.694 -10.177 2.976 727 1HA GLY 95 HA2 GLY 95 14.939 -9.550 5.795 728 2HA GLY 95 HA1 GLY 95 14.957 -8.382 4.460 729 HA PRO 96 HA PRO 96 10.910 -8.088 6.560 730 1HB PRO 96 HB2 PRO 96 10.896 -5.195 6.407 731 2HB PRO 96 HB1 PRO 96 11.119 -6.186 7.859 732 1HG PRO 96 HG2 PRO 96 13.136 -4.659 6.419 733 2HG PRO 96 HG1 PRO 96 13.339 -5.592 7.909 734 1HD PRO 96 HD2 PRO 96 14.228 -6.300 5.231 735 2HD PRO 96 HD1 PRO 96 14.494 -7.196 6.736 736 H LEU 97 HN LEU 97 8.832 -6.569 5.532 737 HA LEU 97 HA LEU 97 8.944 -7.117 2.676 738 1HB LEU 97 HB2 LEU 97 6.779 -5.424 3.924 739 2HB LEU 97 HB1 LEU 97 6.643 -6.624 2.640 740 HG LEU 97 HG LEU 97 7.170 -7.212 5.571 741 1HD1 LEU 97 HD11 LEU 97 4.747 -7.478 3.786 742 2HD1 LEU 97 HD12 LEU 97 4.879 -6.616 5.318 743 3HD1 LEU 97 HD13 LEU 97 4.909 -8.379 5.293 744 1HD2 LEU 97 HD21 LEU 97 6.856 -9.587 4.837 745 2HD2 LEU 97 HD22 LEU 97 8.295 -8.844 4.141 746 3HD2 LEU 97 HD23 LEU 97 6.839 -9.032 3.165 747 H ARG 98 HN ARG 98 8.572 -4.144 4.617 748 HA ARG 98 HA ARG 98 8.629 -2.152 2.799 749 1HB ARG 98 HB2 ARG 98 9.248 -2.358 5.502 750 2HB ARG 98 HB1 ARG 98 10.731 -1.681 4.841 751 1HG ARG 98 HG2 ARG 98 9.447 0.132 3.788 752 2HG ARG 98 HG1 ARG 98 7.946 -0.566 4.398 753 1HD ARG 98 HD2 ARG 98 10.242 0.479 6.081 754 2HD ARG 98 HD1 ARG 98 8.674 1.257 5.866 755 HE ARG 98 HE ARG 98 8.037 -1.262 6.832 756 1HH1 ARG 98 HH21 ARG 98 10.101 1.335 7.770 757 2HH1 ARG 98 HH22 ARG 98 9.962 1.009 9.466 758 1HH2 ARG 98 HH11 ARG 98 7.843 -1.702 9.041 759 2HH2 ARG 98 HH12 ARG 98 8.683 -0.710 10.185 760 H VAL 99 HN VAL 99 11.085 -4.465 3.318 761 HA VAL 99 HA VAL 99 13.222 -3.047 1.860 762 HB VAL 99 HB VAL 99 12.984 -5.615 3.376 763 1HG1 VAL 99 HG11 VAL 99 14.768 -5.396 0.925 764 2HG1 VAL 99 HG12 VAL 99 13.594 -6.658 1.294 765 3HG1 VAL 99 HG13 VAL 99 15.078 -6.533 2.238 766 1HG2 VAL 99 HG21 VAL 99 15.132 -3.507 2.947 767 2HG2 VAL 99 HG22 VAL 99 15.452 -4.990 3.831 768 3HG2 VAL 99 HG23 VAL 99 14.226 -3.865 4.416 769 H GLN 100 HN GLN 100 10.905 -5.651 1.284 770 HA GLN 100 HA GLN 100 11.620 -6.610 -1.216 771 1HB GLN 100 HB2 GLN 100 8.868 -5.821 -0.220 772 2HB GLN 100 HB1 GLN 100 9.124 -6.665 -1.744 773 1HG GLN 100 HG2 GLN 100 10.002 -8.576 -0.673 774 2HG GLN 100 HG1 GLN 100 10.239 -7.715 0.850 775 1HE2 GLN 100 HE21 GLN 100 8.837 -9.902 1.331 776 2HE2 GLN 100 HE22 GLN 100 7.164 -9.630 1.415 777 H ALA 101 HN ALA 101 9.521 -3.731 -0.743 778 HA ALA 101 HA ALA 101 10.092 -2.971 -3.559 779 1HB ALA 101 HB1 ALA 101 8.435 -1.086 -3.026 780 2HB ALA 101 HB2 ALA 101 8.214 -1.854 -1.453 781 3HB ALA 101 HB3 ALA 101 7.779 -2.720 -2.926 782 H ASN 102 HN ASN 102 11.042 -1.816 -0.367 783 HA ASN 102 HA ASN 102 12.079 0.685 -1.437 784 1HB ASN 102 HB2 ASN 102 11.583 0.311 1.012 785 2HB ASN 102 HB1 ASN 102 12.994 -0.749 1.075 786 1HD2 ASN 102 HD21 ASN 102 14.794 0.341 1.846 787 2HD2 ASN 102 HD22 ASN 102 15.149 1.975 1.554 788 H ASN 103 HN ASN 103 12.814 -1.514 -3.071 789 HA ASN 103 HA ASN 103 15.792 -1.489 -2.756 790 1HB ASN 103 HB2 ASN 103 14.807 -3.687 -2.067 791 2HB ASN 103 HB1 ASN 103 14.133 -3.842 -3.690 792 1HD2 ASN 103 HD21 ASN 103 15.982 -5.777 -2.860 793 2HD2 ASN 103 HD22 ASN 103 17.449 -5.561 -3.686 794 HA PRO 104 HA PRO 104 14.347 0.175 -6.891 795 1HB PRO 104 HB2 PRO 104 16.960 1.525 -6.876 796 2HB PRO 104 HB1 PRO 104 15.343 2.235 -6.987 797 1HG PRO 104 HG2 PRO 104 17.029 2.352 -4.725 798 2HG PRO 104 HG1 PRO 104 15.298 2.721 -4.740 799 1HD PRO 104 HD2 PRO 104 16.662 0.390 -3.597 800 2HD PRO 104 HD1 PRO 104 14.974 0.897 -3.378 801 H GLN 105 HN GLN 105 17.273 -1.440 -5.780 802 HA GLN 105 HA GLN 105 18.280 -2.000 -8.436 803 1HB GLN 105 HB2 GLN 105 18.788 -3.504 -5.850 804 2HB GLN 105 HB1 GLN 105 19.768 -3.585 -7.314 805 1HG GLN 105 HG2 GLN 105 20.168 -1.111 -7.102 806 2HG GLN 105 HG1 GLN 105 19.345 -1.164 -5.543 807 1HE2 GLN 105 HE21 GLN 105 21.541 -0.453 -4.671 808 2HE2 GLN 105 HE22 GLN 105 22.712 -1.646 -4.377 809 H GLN 106 HN GLN 106 16.196 -3.741 -6.147 810 HA GLN 106 HA GLN 106 15.695 -5.834 -8.241 811 1HB GLN 106 HB2 GLN 106 15.086 -5.920 -5.270 812 2HB GLN 106 HB1 GLN 106 14.931 -7.253 -6.415 813 1HG GLN 106 HG2 GLN 106 17.541 -5.826 -5.832 814 2HG GLN 106 HG1 GLN 106 17.047 -7.330 -5.055 815 1HE2 GLN 106 HE21 GLN 106 18.704 -6.084 -7.749 816 2HE2 GLN 106 HE22 GLN 106 18.707 -7.487 -8.704 817 H GLN 107 HN GLN 107 14.442 -3.218 -8.368 818 HA GLN 107 HA GLN 107 11.968 -2.870 -7.225 819 1HB GLN 107 HB2 GLN 107 11.256 -1.797 -9.373 820 2HB GLN 107 HB1 GLN 107 12.845 -1.271 -8.821 821 1HG GLN 107 HG2 GLN 107 13.155 -1.703 -11.126 822 2HG GLN 107 HG1 GLN 107 13.786 -3.147 -10.338 823 1HE2 GLN 107 HE21 GLN 107 10.618 -1.932 -11.591 824 2HE2 GLN 107 HE22 GLN 107 10.142 -3.426 -12.242 825 H GLY 108 HN GLY 108 12.823 -5.595 -9.159 826 1HA GLY 108 HA2 GLY 108 10.386 -6.257 -10.427 827 2HA GLY 108 HA1 GLY 108 11.494 -7.461 -9.756 828 H LEU 109 HN LEU 109 11.415 -6.673 -7.106 829 HA LEU 109 HA LEU 109 8.876 -7.855 -6.219 830 1HB LEU 109 HB2 LEU 109 11.284 -6.805 -4.725 831 2HB LEU 109 HB1 LEU 109 9.884 -7.527 -3.936 832 HG LEU 109 HG LEU 109 11.404 -8.953 -6.133 833 1HD1 LEU 109 HD11 LEU 109 12.046 -8.702 -3.210 834 2HD1 LEU 109 HD12 LEU 109 13.126 -8.746 -4.601 835 3HD1 LEU 109 HD13 LEU 109 12.365 -10.230 -4.032 836 1HD2 LEU 109 HD21 LEU 109 10.435 -10.952 -4.721 837 2HD2 LEU 109 HD22 LEU 109 9.357 -10.074 -5.799 838 3HD2 LEU 109 HD23 LEU 109 9.336 -9.738 -4.070 839 H ARG 110 HN ARG 110 9.567 -4.813 -7.214 840 HA ARG 110 HA ARG 110 7.873 -3.483 -5.127 841 1HB ARG 110 HB2 ARG 110 9.939 -2.262 -5.782 842 2HB ARG 110 HB1 ARG 110 9.420 -2.298 -7.466 843 1HG ARG 110 HG2 ARG 110 7.515 -0.916 -7.002 844 2HG ARG 110 HG1 ARG 110 7.761 -1.058 -5.262 845 1HD ARG 110 HD2 ARG 110 8.588 1.115 -6.095 846 2HD ARG 110 HD1 ARG 110 9.912 0.135 -5.465 847 HE ARG 110 HE ARG 110 9.860 -0.481 -8.166 848 1HH1 ARG 110 HH21 ARG 110 9.995 2.384 -6.253 849 2HH1 ARG 110 HH22 ARG 110 10.909 3.280 -7.421 850 1HH2 ARG 110 HH11 ARG 110 11.052 0.672 -9.701 851 2HH2 ARG 110 HH12 ARG 110 11.507 2.311 -9.373 852 H ARG 111 HN ARG 111 7.884 -4.512 -8.479 853 HA ARG 111 HA ARG 111 5.205 -3.289 -8.883 854 1HB ARG 111 HB2 ARG 111 5.352 -4.307 -11.163 855 2HB ARG 111 HB1 ARG 111 6.704 -3.239 -10.817 856 1HG ARG 111 HG2 ARG 111 7.800 -5.094 -11.724 857 2HG ARG 111 HG1 ARG 111 7.921 -5.398 -10.007 858 1HD ARG 111 HD2 ARG 111 6.809 -7.364 -10.239 859 2HD ARG 111 HD1 ARG 111 5.432 -6.560 -10.968 860 HE ARG 111 HE ARG 111 7.275 -8.231 -12.323 861 1HH1 ARG 111 HH21 ARG 111 5.955 -5.057 -12.662 862 2HH1 ARG 111 HH22 ARG 111 6.209 -5.001 -14.373 863 1HH2 ARG 111 HH11 ARG 111 7.605 -8.166 -14.541 864 2HH2 ARG 111 HH12 ARG 111 7.141 -6.757 -15.435 865 H GLU 112 HN GLU 112 6.727 -6.355 -8.148 866 HA GLU 112 HA GLU 112 4.313 -7.937 -8.527 867 1HB GLU 112 HB2 GLU 112 6.653 -8.906 -8.480 868 2HB GLU 112 HB1 GLU 112 6.702 -8.550 -6.755 869 1HG GLU 112 HG2 GLU 112 6.016 -10.823 -6.876 870 2HG GLU 112 HG1 GLU 112 4.524 -9.925 -6.579 871 H TYR 113 HN TYR 113 6.040 -6.674 -5.691 872 HA TYR 113 HA TYR 113 4.276 -7.389 -3.650 873 1HB TYR 113 HB2 TYR 113 6.336 -6.141 -3.193 874 2HB TYR 113 HB1 TYR 113 5.670 -4.713 -3.986 875 HD1 TYR 113 HD1 TYR 113 5.319 -6.990 -1.078 876 HD2 TYR 113 HD2 TYR 113 4.100 -3.280 -2.867 877 HE1 TYR 113 HE1 TYR 113 4.256 -6.311 1.057 878 HE2 TYR 113 HE2 TYR 113 3.036 -2.602 -0.732 879 HH TYR 113 HH TYR 113 2.741 -3.108 1.416 880 H GLN 114 HN GLN 114 4.105 -4.197 -5.303 881 HA GLN 114 HA GLN 114 1.694 -3.278 -4.426 882 1HB GLN 114 HB2 GLN 114 2.758 -3.224 -7.255 883 2HB GLN 114 HB1 GLN 114 1.384 -2.261 -6.711 884 1HG GLN 114 HG2 GLN 114 2.741 -1.087 -5.106 885 2HG GLN 114 HG1 GLN 114 4.100 -2.179 -5.375 886 1HE2 GLN 114 HE21 GLN 114 2.035 -0.835 -7.960 887 2HE2 GLN 114 HE22 GLN 114 3.262 0.086 -8.685 888 H GLN 115 HN GLN 115 2.069 -5.761 -6.963 889 HA GLN 115 HA GLN 115 -0.722 -5.920 -7.601 890 1HB GLN 115 HB2 GLN 115 1.507 -7.948 -7.888 891 2HB GLN 115 HB1 GLN 115 -0.127 -8.214 -8.491 892 1HG GLN 115 HG2 GLN 115 0.025 -6.286 -9.945 893 2HG GLN 115 HG1 GLN 115 1.577 -5.826 -9.245 894 1HE2 GLN 115 HE21 GLN 115 -0.004 -8.410 -11.164 895 2HE2 GLN 115 HE22 GLN 115 1.425 -8.949 -11.906 896 H LEU 116 HN LEU 116 1.250 -7.651 -5.185 897 HA LEU 116 HA LEU 116 -1.056 -9.252 -4.318 898 1HB LEU 116 HB2 LEU 116 1.799 -8.938 -3.372 899 2HB LEU 116 HB1 LEU 116 0.615 -9.826 -2.415 900 HG LEU 116 HG LEU 116 0.140 -11.237 -4.448 901 1HD1 LEU 116 HD11 LEU 116 0.884 -9.867 -6.249 902 2HD1 LEU 116 HD12 LEU 116 2.035 -11.199 -6.170 903 3HD1 LEU 116 HD13 LEU 116 2.463 -9.625 -5.505 904 1HD2 LEU 116 HD21 LEU 116 2.328 -12.495 -4.296 905 2HD2 LEU 116 HD22 LEU 116 1.595 -12.126 -2.736 906 3HD2 LEU 116 HD23 LEU 116 2.952 -11.165 -3.322 907 H TRP 117 HN TRP 117 0.333 -6.182 -3.664 908 HA TRP 117 HA TRP 117 -0.823 -5.902 -0.991 909 1HB TRP 117 HB2 TRP 117 1.297 -4.731 -1.920 910 2HB TRP 117 HB1 TRP 117 0.175 -3.650 -2.741 911 HD1 TRP 117 HD1 TRP 117 0.910 -4.921 0.830 912 HE1 TRP 117 HE1 TRP 117 0.304 -3.046 2.494 913 HE3 TRP 117 HE3 TRP 117 -0.997 -1.460 -2.401 914 HZ2 TRP 117 HZ2 TRP 117 -0.842 -0.425 2.457 915 HZ3 TRP 117 HZ3 TRP 117 -1.840 0.714 -1.562 916 HH2 TRP 117 HH2 TRP 117 -1.764 1.236 0.860 917 H LEU 118 HN LEU 118 -1.640 -4.878 -4.327 918 HA LEU 118 HA LEU 118 -3.926 -3.275 -3.492 919 1HB LEU 118 HB2 LEU 118 -3.161 -4.529 -6.143 920 2HB LEU 118 HB1 LEU 118 -4.565 -3.490 -5.910 921 HG LEU 118 HG LEU 118 -1.708 -2.670 -5.297 922 1HD1 LEU 118 HD11 LEU 118 -1.638 -1.514 -7.348 923 2HD1 LEU 118 HD12 LEU 118 -3.381 -1.622 -7.576 924 3HD1 LEU 118 HD13 LEU 118 -2.376 -3.057 -7.776 925 1HD2 LEU 118 HD21 LEU 118 -2.954 -1.223 -3.976 926 2HD2 LEU 118 HD22 LEU 118 -4.383 -1.337 -4.999 927 3HD2 LEU 118 HD23 LEU 118 -3.022 -0.335 -5.495 928 H ALA 119 HN ALA 119 -3.411 -6.707 -4.212 929 HA ALA 119 HA ALA 119 -6.251 -7.390 -4.192 930 1HB ALA 119 HB1 ALA 119 -5.530 -9.633 -3.652 931 2HB ALA 119 HB2 ALA 119 -3.987 -9.053 -3.024 932 3HB ALA 119 HB3 ALA 119 -4.309 -9.002 -4.757 933 H ALA 120 HN ALA 120 -4.024 -7.938 -1.400 934 HA ALA 120 HA ALA 120 -6.022 -7.946 0.517 935 1HB ALA 120 HB1 ALA 120 -3.235 -6.787 0.690 936 2HB ALA 120 HB2 ALA 120 -3.767 -8.393 1.187 937 3HB ALA 120 HB3 ALA 120 -4.295 -6.969 2.089 938 H PHE 121 HN PHE 121 -5.509 -5.302 -1.558 939 HA PHE 121 HA PHE 121 -6.693 -3.400 0.446 940 1HB PHE 121 HB2 PHE 121 -4.431 -2.932 -0.929 941 2HB PHE 121 HB1 PHE 121 -5.580 -2.396 -2.150 942 HD1 PHE 121 HD1 PHE 121 -3.846 -1.506 0.857 943 HD2 PHE 121 HD2 PHE 121 -7.420 -0.728 -1.397 944 HE1 PHE 121 HE1 PHE 121 -4.153 0.629 2.079 945 HE2 PHE 121 HE2 PHE 121 -7.726 1.406 -0.174 946 HZ PHE 121 HZ PHE 121 -6.092 2.086 1.563 947 H ALA 122 HN ALA 122 -7.194 -4.968 -2.653 948 HA ALA 122 HA ALA 122 -9.723 -3.382 -3.065 949 1HB ALA 122 HB1 ALA 122 -9.688 -4.093 -5.322 950 2HB ALA 122 HB2 ALA 122 -8.639 -5.464 -4.968 951 3HB ALA 122 HB3 ALA 122 -7.975 -3.833 -4.991 952 H ALA 123 HN ALA 123 -8.636 -6.549 -2.143 953 HA ALA 123 HA ALA 123 -11.452 -7.527 -2.338 954 1HB ALA 123 HB1 ALA 123 -9.527 -9.083 -2.845 955 2HB ALA 123 HB2 ALA 123 -10.545 -9.646 -1.520 956 3HB ALA 123 HB3 ALA 123 -8.990 -8.889 -1.176 957 H LEU 124 HN LEU 124 -10.240 -5.279 -0.649 958 HA LEU 124 HA LEU 124 -10.093 -6.087 1.946 959 1HB LEU 124 HB2 LEU 124 -10.265 -3.549 0.563 960 2HB LEU 124 HB1 LEU 124 -11.060 -3.421 2.123 961 HG LEU 124 HG LEU 124 -8.296 -4.546 1.719 962 1HD1 LEU 124 HD11 LEU 124 -9.015 -1.823 2.813 963 2HD1 LEU 124 HD12 LEU 124 -8.519 -2.098 1.145 964 3HD1 LEU 124 HD13 LEU 124 -7.401 -2.443 2.464 965 1HD2 LEU 124 HD21 LEU 124 -9.994 -4.872 3.889 966 2HD2 LEU 124 HD22 LEU 124 -9.025 -3.486 4.376 967 3HD2 LEU 124 HD23 LEU 124 -8.239 -5.003 3.941 968 HA PRO 125 HA PRO 125 -14.861 -4.292 2.173 969 1HB PRO 125 HB2 PRO 125 -15.809 -5.825 -0.169 970 2HB PRO 125 HB1 PRO 125 -16.226 -4.174 0.335 971 1HG PRO 125 HG2 PRO 125 -14.477 -4.831 -1.772 972 2HG PRO 125 HG1 PRO 125 -14.584 -3.252 -0.987 973 1HD PRO 125 HD2 PRO 125 -12.427 -5.161 -0.847 974 2HD PRO 125 HD1 PRO 125 -12.480 -3.541 -0.131 975 H GLY 126 HN GLY 126 -14.579 -7.410 0.521 976 1HA GLY 126 HA2 GLY 126 -15.828 -8.668 2.916 977 2HA GLY 126 HA1 GLY 126 -15.659 -9.418 1.317 978 H SER 127 HN SER 127 -13.692 -8.174 4.021 979 HA SER 127 HA SER 127 -12.474 -10.469 4.700 980 1HB SER 127 HB2 SER 127 -11.328 -9.609 2.126 981 2HB SER 127 HB1 SER 127 -10.133 -10.134 3.304 982 HG SER 127 HG SER 127 -10.766 -12.089 2.934 983 H ALA 128 HN ALA 128 -12.104 -7.011 4.787 984 HA ALA 128 HA ALA 128 -10.726 -7.203 7.244 985 1HB ALA 128 HB1 ALA 128 -8.672 -7.912 6.504 986 2HB ALA 128 HB2 ALA 128 -8.418 -6.234 6.046 987 3HB ALA 128 HB3 ALA 128 -8.996 -7.391 4.854 988 H LYS 129 HN LYS 129 -12.691 -5.420 6.089 989 HA LYS 129 HA LYS 129 -11.336 -2.845 6.777 990 1HB LYS 129 HB2 LYS 129 -12.264 -1.645 4.958 991 2HB LYS 129 HB1 LYS 129 -11.317 -3.010 4.392 992 1HG LYS 129 HG2 LYS 129 -13.122 -3.458 3.101 993 2HG LYS 129 HG1 LYS 129 -13.822 -4.150 4.557 994 1HD LYS 129 HD2 LYS 129 -15.431 -2.635 3.654 995 2HD LYS 129 HD1 LYS 129 -14.755 -1.843 5.057 996 1HE LYS 129 HE2 LYS 129 -13.107 -1.104 2.848 997 2HE LYS 129 HE1 LYS 129 -14.782 -0.916 2.336 998 1HZ LYS 129 HZ1 LYS 129 -13.324 0.758 3.992 999 2HZ LYS 129 HZ2 LYS 129 -14.489 0.014 4.980 1000 3HZ LYS 129 HZ3 LYS 129 -14.968 0.873 3.595 1001 H ASP 130 HN ASP 130 -14.295 -4.615 6.428 1002 HA ASP 130 HA ASP 130 -16.452 -4.408 7.545 1003 1HB ASP 130 HB2 ASP 130 -15.339 -2.122 9.140 1004 2HB ASP 130 HB1 ASP 130 -16.464 -3.386 9.621 1005 HA PRO 131 HA PRO 131 -17.240 -0.690 4.852 1006 1HB PRO 131 HB2 PRO 131 -19.032 -2.059 3.175 1007 2HB PRO 131 HB1 PRO 131 -17.324 -1.800 2.813 1008 1HG PRO 131 HG2 PRO 131 -18.682 -4.305 3.585 1009 2HG PRO 131 HG1 PRO 131 -17.063 -4.096 2.909 1010 1HD PRO 131 HD2 PRO 131 -17.752 -4.660 5.656 1011 2HD PRO 131 HD1 PRO 131 -16.126 -4.380 5.002 1012 H SER 132 HN SER 132 -19.525 -3.258 5.773 1013 HA SER 132 HA SER 132 -21.616 -3.089 6.928 1014 1HB SER 132 HB2 SER 132 -21.382 -0.112 7.171 1015 2HB SER 132 HB1 SER 132 -21.929 -1.295 8.353 1016 HG SER 132 HG SER 132 -19.472 -0.239 7.972 1017 H TRP 133 HN TRP 133 -21.052 -0.145 4.988 1018 HA TRP 133 HA TRP 133 -23.521 -0.833 3.403 1019 1HB TRP 133 HB2 TRP 133 -23.773 1.141 4.958 1020 2HB TRP 133 HB1 TRP 133 -22.517 1.955 4.025 1021 HD1 TRP 133 HD1 TRP 133 -25.706 -0.041 3.074 1022 HE1 TRP 133 HE1 TRP 133 -26.966 1.292 1.262 1023 HE3 TRP 133 HE3 TRP 133 -22.612 3.999 2.638 1024 HZ2 TRP 133 HZ2 TRP 133 -26.698 3.747 -0.181 1025 HZ3 TRP 133 HZ3 TRP 133 -23.138 5.818 1.039 1026 HH2 TRP 133 HH2 TRP 133 -25.175 5.697 -0.370 1027 H ALA 134 HN ALA 134 -22.119 -1.882 1.821 1028 HA ALA 134 HA ALA 134 -20.335 -0.020 0.297 1029 1HB ALA 134 HB1 ALA 134 -20.444 -3.024 0.568 1030 2HB ALA 134 HB2 ALA 134 -19.079 -1.943 0.845 1031 3HB ALA 134 HB3 ALA 134 -19.620 -2.273 -0.799 Start of MODEL 18 1 HT1 PRO 1 HT2 PRO 1 6.878 10.121 -1.336 2 HT2 PRO 1 HT1 PRO 1 7.640 11.468 -0.633 3 HA PRO 1 HA PRO 1 7.672 8.722 0.179 4 1HB PRO 1 HB2 PRO 1 10.383 9.862 0.530 5 2HB PRO 1 HB1 PRO 1 9.905 8.229 0.043 6 1HG PRO 1 HG2 PRO 1 10.923 10.198 -1.673 7 2HG PRO 1 HG1 PRO 1 10.063 8.735 -2.178 8 1HD PRO 1 HD2 PRO 1 9.129 11.500 -2.259 9 2HD PRO 1 HD1 PRO 1 8.377 10.060 -2.956 10 H VAL 2 HN VAL 2 9.104 8.980 2.462 11 HA VAL 2 HA VAL 2 8.730 11.539 3.795 12 HB VAL 2 HB VAL 2 7.161 10.558 5.552 13 1HG1 VAL 2 HG11 VAL 2 5.803 10.608 2.857 14 2HG1 VAL 2 HG12 VAL 2 6.478 12.077 3.558 15 3HG1 VAL 2 HG13 VAL 2 5.208 11.202 4.405 16 1HG2 VAL 2 HG21 VAL 2 7.421 8.197 5.037 17 2HG2 VAL 2 HG22 VAL 2 6.854 8.467 3.392 18 3HG2 VAL 2 HG23 VAL 2 5.739 8.643 4.743 19 H MET 3 HN MET 3 10.229 11.598 5.489 20 HA MET 3 HA MET 3 11.061 9.014 6.679 21 1HB MET 3 HB2 MET 3 13.141 10.950 5.621 22 2HB MET 3 HB1 MET 3 13.397 9.309 6.215 23 1HG MET 3 HG2 MET 3 11.994 8.462 4.319 24 2HG MET 3 HG1 MET 3 11.920 10.106 3.686 25 1HE MET 3 HE1 MET 3 15.296 11.080 2.619 26 2HE MET 3 HE2 MET 3 15.129 11.147 4.372 27 3HE MET 3 HE3 MET 3 13.750 11.538 3.348 28 H HIS 4 HN HIS 4 13.100 9.787 8.270 29 HA HIS 4 HA HIS 4 12.285 12.245 9.708 30 1HB HIS 4 HB2 HIS 4 12.175 10.871 11.865 31 2HB HIS 4 HB1 HIS 4 10.806 10.717 10.764 32 HD1 HIS 4 HD1 HIS 4 10.538 8.320 12.045 33 HD2 HIS 4 HD2 HIS 4 13.821 8.702 9.504 34 HE1 HIS 4 HE1 HIS 4 11.345 5.969 11.559 35 HA PRO 5 HA PRO 5 16.834 11.323 9.784 36 1HB PRO 5 HB2 PRO 5 17.348 14.168 9.659 37 2HB PRO 5 HB1 PRO 5 17.644 12.958 8.403 38 1HG PRO 5 HG2 PRO 5 15.614 14.997 8.397 39 2HG PRO 5 HG1 PRO 5 15.859 13.727 7.190 40 1HD PRO 5 HD2 PRO 5 13.774 13.909 9.231 41 2HD PRO 5 HD1 PRO 5 13.913 12.738 7.902 42 H HIS 6 HN HIS 6 17.871 11.191 11.766 43 HA HIS 6 HA HIS 6 18.246 11.493 14.063 44 1HB HIS 6 HB2 HIS 6 19.094 13.678 13.097 45 2HB HIS 6 HB1 HIS 6 17.523 14.378 13.488 46 HD1 HIS 6 HD1 HIS 6 20.383 12.563 15.235 47 HD2 HIS 6 HD2 HIS 6 17.319 15.249 16.110 48 HE1 HIS 6 HE1 HIS 6 20.710 13.260 17.647 49 H GLY 7 HN GLY 7 17.096 12.834 16.060 50 1HA GLY 7 HA2 GLY 7 14.433 11.689 16.213 51 2HA GLY 7 HA1 GLY 7 15.199 12.685 17.451 52 H ALA 8 HN ALA 8 14.792 13.664 14.094 53 HA ALA 8 HA ALA 8 13.354 16.069 14.981 54 1HB ALA 8 HB1 ALA 8 15.178 15.556 12.984 55 2HB ALA 8 HB2 ALA 8 14.144 16.977 13.013 56 3HB ALA 8 HB3 ALA 8 13.678 15.562 12.064 57 HA PRO 9 HA PRO 9 9.350 14.711 13.655 58 1HB PRO 9 HB2 PRO 9 8.644 16.697 11.704 59 2HB PRO 9 HB1 PRO 9 8.297 16.755 13.441 60 1HG PRO 9 HG2 PRO 9 10.121 18.432 12.004 61 2HG PRO 9 HG1 PRO 9 9.904 18.364 13.761 62 1HD PRO 9 HD2 PRO 9 12.048 17.180 12.098 63 2HD PRO 9 HD1 PRO 9 12.050 17.530 13.843 64 HA PRO 10 HA PRO 10 9.722 12.594 9.870 65 1HB PRO 10 HB2 PRO 10 7.102 12.811 8.740 66 2HB PRO 10 HB1 PRO 10 7.691 11.516 9.792 67 1HG PRO 10 HG2 PRO 10 5.844 13.695 10.456 68 2HG PRO 10 HG1 PRO 10 6.259 12.270 11.420 69 1HD PRO 10 HD2 PRO 10 7.138 14.975 11.860 70 2HD PRO 10 HD1 PRO 10 7.636 13.523 12.752 71 H ASN 11 HN ASN 11 10.839 13.468 8.088 72 HA ASN 11 HA ASN 11 10.034 16.134 7.111 73 1HB ASN 11 HB2 ASN 11 12.422 15.628 7.550 74 2HB ASN 11 HB1 ASN 11 12.364 14.376 6.308 75 1HD2 ASN 11 HD21 ASN 11 10.334 17.023 5.532 76 2HD2 ASN 11 HD22 ASN 11 11.382 17.810 4.453 77 H HIS 12 HN HIS 12 8.289 15.960 5.747 78 HA HIS 12 HA HIS 12 8.045 13.772 3.839 79 1HB HIS 12 HB2 HIS 12 6.100 15.108 2.988 80 2HB HIS 12 HB1 HIS 12 6.019 14.793 4.721 81 HD1 HIS 12 HD1 HIS 12 8.543 17.154 4.694 82 HD2 HIS 12 HD2 HIS 12 4.459 17.472 3.922 83 HE1 HIS 12 HE1 HIS 12 7.939 19.591 5.026 84 H ARG 13 HN ARG 13 8.761 13.762 1.735 85 HA ARG 13 HA ARG 13 10.355 16.108 0.858 86 1HB ARG 13 HB2 ARG 13 10.523 14.165 -1.175 87 2HB ARG 13 HB1 ARG 13 11.698 14.414 0.106 88 1HG ARG 13 HG2 ARG 13 9.279 12.664 0.553 89 2HG ARG 13 HG1 ARG 13 10.694 12.039 -0.258 90 1HD ARG 13 HD2 ARG 13 10.581 13.171 2.547 91 2HD ARG 13 HD1 ARG 13 10.889 11.503 2.104 92 HE ARG 13 HE ARG 13 12.830 13.606 2.326 93 1HH1 ARG 13 HH21 ARG 13 11.983 10.966 0.261 94 2HH1 ARG 13 HH22 ARG 13 13.522 10.940 -0.532 95 1HH2 ARG 13 HH11 ARG 13 14.826 13.559 1.315 96 2HH2 ARG 13 HH12 ARG 13 15.127 12.397 0.067 97 HA PRO 14 HA PRO 14 7.622 17.951 -2.047 98 1HB PRO 14 HB2 PRO 14 9.220 17.011 -4.367 99 2HB PRO 14 HB1 PRO 14 8.829 18.664 -3.865 100 1HG PRO 14 HG2 PRO 14 11.326 17.367 -3.500 101 2HG PRO 14 HG1 PRO 14 10.820 18.879 -2.731 102 1HD PRO 14 HD2 PRO 14 11.226 16.315 -1.460 103 2HD PRO 14 HD1 PRO 14 10.705 17.827 -0.696 104 H TRP 15 HN TRP 15 5.655 17.014 -2.673 105 HA TRP 15 HA TRP 15 5.574 14.737 -4.457 106 1HB TRP 15 HB2 TRP 15 6.263 13.637 -2.310 107 2HB TRP 15 HB1 TRP 15 4.742 14.178 -1.603 108 HD1 TRP 15 HD1 TRP 15 2.771 12.600 -1.871 109 HE1 TRP 15 HE1 TRP 15 2.213 10.587 -3.381 110 HE3 TRP 15 HE3 TRP 15 6.842 12.654 -4.956 111 HZ2 TRP 15 HZ2 TRP 15 3.343 9.184 -5.603 112 HZ3 TRP 15 HZ3 TRP 15 7.075 10.969 -6.758 113 HH2 TRP 15 HH2 TRP 15 5.332 9.236 -7.086 114 H GLN 16 HN GLN 16 4.048 17.363 -3.011 115 HA GLN 16 HA GLN 16 1.706 17.971 -2.805 116 1HB GLN 16 HB2 GLN 16 0.629 17.797 -5.105 117 2HB GLN 16 HB1 GLN 16 2.145 18.686 -5.040 118 1HG GLN 16 HG2 GLN 16 3.361 16.751 -5.897 119 2HG GLN 16 HG1 GLN 16 1.893 15.774 -5.851 120 1HE2 GLN 16 HE21 GLN 16 2.980 18.928 -7.242 121 2HE2 GLN 16 HE22 GLN 16 2.146 18.726 -8.707 122 H MET 17 HN MET 17 1.490 16.009 -1.280 123 HA MET 17 HA MET 17 0.510 13.571 -2.165 124 1HB MET 17 HB2 MET 17 -0.649 13.614 0.243 125 2HB MET 17 HB1 MET 17 1.106 13.559 0.088 126 1HG MET 17 HG2 MET 17 1.327 15.880 0.516 127 2HG MET 17 HG1 MET 17 -0.386 16.182 0.224 128 1HE MET 17 HE1 MET 17 -1.494 17.115 2.368 129 2HE MET 17 HE2 MET 17 0.194 17.617 2.331 130 3HE MET 17 HE3 MET 17 -0.522 17.067 3.844 131 H LYS 18 HN LYS 18 -0.937 16.470 -2.698 132 HA LYS 18 HA LYS 18 -3.686 16.056 -2.031 133 1HB LYS 18 HB2 LYS 18 -3.982 17.680 -4.104 134 2HB LYS 18 HB1 LYS 18 -3.229 18.268 -2.622 135 1HG LYS 18 HG2 LYS 18 -1.046 18.086 -3.513 136 2HG LYS 18 HG1 LYS 18 -1.583 17.061 -4.845 137 1HD LYS 18 HD2 LYS 18 -1.180 19.314 -5.688 138 2HD LYS 18 HD1 LYS 18 -2.912 18.982 -5.733 139 1HE LYS 18 HE2 LYS 18 -3.322 20.299 -3.793 140 2HE LYS 18 HE1 LYS 18 -1.608 20.363 -3.383 141 1HZ LYS 18 HZ1 LYS 18 -3.040 22.170 -4.914 142 2HZ LYS 18 HZ2 LYS 18 -2.017 21.352 -5.996 143 3HZ LYS 18 HZ3 LYS 18 -1.365 22.148 -4.644 144 H ASP 19 HN ASP 19 -1.817 14.165 -3.950 145 HA ASP 19 HA ASP 19 -3.955 13.648 -5.952 146 1HB ASP 19 HB2 ASP 19 -1.682 13.623 -6.888 147 2HB ASP 19 HB1 ASP 19 -1.162 12.458 -5.670 148 H LEU 20 HN LEU 20 -2.443 12.118 -3.113 149 HA LEU 20 HA LEU 20 -4.001 9.700 -3.454 150 1HB LEU 20 HB2 LEU 20 -3.423 9.103 -1.232 151 2HB LEU 20 HB1 LEU 20 -2.015 9.957 -1.852 152 HG LEU 20 HG LEU 20 -3.371 12.064 -0.763 153 1HD1 LEU 20 HD11 LEU 20 -4.521 11.507 1.227 154 2HD1 LEU 20 HD12 LEU 20 -3.891 9.861 1.241 155 3HD1 LEU 20 HD13 LEU 20 -5.119 10.321 0.072 156 1HD2 LEU 20 HD21 LEU 20 -1.614 10.162 0.816 157 2HD2 LEU 20 HD22 LEU 20 -1.873 11.868 1.166 158 3HD2 LEU 20 HD23 LEU 20 -1.018 11.388 -0.301 159 H GLN 21 HN GLN 21 -4.553 12.917 -2.139 160 HA GLN 21 HA GLN 21 -7.013 12.430 -0.808 161 1HB GLN 21 HB2 GLN 21 -5.725 14.632 -0.891 162 2HB GLN 21 HB1 GLN 21 -6.387 14.864 -2.510 163 1HG GLN 21 HG2 GLN 21 -7.867 16.019 -1.033 164 2HG GLN 21 HG1 GLN 21 -8.693 14.523 -1.470 165 1HE2 GLN 21 HE21 GLN 21 -6.102 15.209 0.951 166 2HE2 GLN 21 HE22 GLN 21 -6.948 14.538 2.260 167 H ALA 22 HN ALA 22 -6.248 13.096 -4.226 168 HA ALA 22 HA ALA 22 -8.861 13.112 -5.280 169 1HB ALA 22 HB1 ALA 22 -6.500 11.740 -6.599 170 2HB ALA 22 HB2 ALA 22 -6.699 13.492 -6.564 171 3HB ALA 22 HB3 ALA 22 -7.884 12.486 -7.396 172 H ILE 23 HN ILE 23 -6.876 10.342 -4.251 173 HA ILE 23 HA ILE 23 -8.715 8.357 -5.291 174 HB ILE 23 HB ILE 23 -6.495 8.311 -3.242 175 1HG1 ILE 23 HG12 ILE 23 -5.493 6.748 -4.804 176 2HG1 ILE 23 HG11 ILE 23 -6.981 6.680 -5.747 177 1HG2 ILE 23 HG21 ILE 23 -8.680 6.282 -3.560 178 2HG2 ILE 23 HG22 ILE 23 -7.845 6.801 -2.102 179 3HG2 ILE 23 HG23 ILE 23 -7.041 5.718 -3.236 180 1HD1 ILE 23 HD11 ILE 23 -6.752 8.947 -6.458 181 2HD1 ILE 23 HD12 ILE 23 -5.151 8.233 -6.647 182 3HD1 ILE 23 HD13 ILE 23 -5.497 9.267 -5.264 183 H LYS 24 HN LYS 24 -8.156 9.524 -1.906 184 HA LYS 24 HA LYS 24 -10.400 8.450 -0.679 185 1HB LYS 24 HB2 LYS 24 -8.546 9.944 0.297 186 2HB LYS 24 HB1 LYS 24 -9.530 11.304 -0.245 187 1HG LYS 24 HG2 LYS 24 -11.470 10.269 1.025 188 2HG LYS 24 HG1 LYS 24 -10.311 9.137 1.722 189 1HD LYS 24 HD2 LYS 24 -10.252 12.159 1.966 190 2HD LYS 24 HD1 LYS 24 -10.602 11.008 3.254 191 1HE LYS 24 HE2 LYS 24 -8.254 10.019 2.696 192 2HE LYS 24 HE1 LYS 24 -7.975 11.563 1.888 193 1HZ LYS 24 HZ1 LYS 24 -8.038 12.703 3.834 194 2HZ LYS 24 HZ2 LYS 24 -7.451 11.223 4.425 195 3HZ LYS 24 HZ3 LYS 24 -9.096 11.613 4.588 196 H GLN 25 HN GLN 25 -10.295 11.540 -2.494 197 HA GLN 25 HA GLN 25 -12.822 12.486 -2.159 198 1HB GLN 25 HB2 GLN 25 -11.222 12.279 -4.698 199 2HB GLN 25 HB1 GLN 25 -12.771 13.116 -4.652 200 1HG GLN 25 HG2 GLN 25 -11.951 14.603 -2.892 201 2HG GLN 25 HG1 GLN 25 -10.416 13.736 -2.847 202 1HE2 GLN 25 HE21 GLN 25 -9.531 15.994 -3.420 203 2HE2 GLN 25 HE22 GLN 25 -9.490 16.426 -5.061 204 H GLU 26 HN GLU 26 -11.937 9.984 -4.511 205 HA GLU 26 HA GLU 26 -14.624 9.433 -5.420 206 1HB GLU 26 HB2 GLU 26 -11.960 8.074 -5.667 207 2HB GLU 26 HB1 GLU 26 -13.412 7.197 -6.156 208 1HG GLU 26 HG2 GLU 26 -14.016 9.086 -7.656 209 2HG GLU 26 HG1 GLU 26 -12.526 9.908 -7.196 210 H VAL 27 HN VAL 27 -12.957 8.639 -2.527 211 HA VAL 27 HA VAL 27 -14.988 6.509 -1.877 212 HB VAL 27 HB VAL 27 -12.619 7.119 -0.146 213 1HG1 VAL 27 HG11 VAL 27 -14.579 5.594 0.440 214 2HG1 VAL 27 HG12 VAL 27 -12.965 4.922 0.648 215 3HG1 VAL 27 HG13 VAL 27 -13.930 4.485 -0.766 216 1HG2 VAL 27 HG21 VAL 27 -12.574 5.409 -2.636 217 2HG2 VAL 27 HG22 VAL 27 -11.338 5.352 -1.379 218 3HG2 VAL 27 HG23 VAL 27 -11.575 6.824 -2.314 219 H SER 28 HN SER 28 -14.221 9.728 -1.750 220 HA SER 28 HA SER 28 -15.583 10.197 0.836 221 1HB SER 28 HB2 SER 28 -13.596 11.606 -0.165 222 2HB SER 28 HB1 SER 28 -14.857 12.381 -1.122 223 HG SER 28 HG SER 28 -15.440 12.046 1.552 224 H GLN 29 HN GLN 29 -16.294 9.077 -1.963 225 HA GLN 29 HA GLN 29 -18.684 10.697 -2.693 226 1HB GLN 29 HB2 GLN 29 -16.930 10.352 -4.419 227 2HB GLN 29 HB1 GLN 29 -17.227 8.618 -4.327 228 1HG GLN 29 HG2 GLN 29 -19.529 8.910 -5.020 229 2HG GLN 29 HG1 GLN 29 -19.376 10.666 -4.935 230 1HE2 GLN 29 HE21 GLN 29 -18.202 7.799 -6.732 231 2HE2 GLN 29 HE22 GLN 29 -17.758 8.658 -8.126 232 H ALA 30 HN ALA 30 -17.206 7.592 -2.022 233 HA ALA 30 HA ALA 30 -19.647 5.948 -2.231 234 1HB ALA 30 HB1 ALA 30 -17.021 5.434 -2.749 235 2HB ALA 30 HB2 ALA 30 -18.177 4.163 -2.361 236 3HB ALA 30 HB3 ALA 30 -17.111 4.798 -1.106 237 H ALA 31 HN ALA 31 -18.851 4.135 -0.218 238 HA ALA 31 HA ALA 31 -19.851 5.533 2.221 239 1HB ALA 31 HB1 ALA 31 -21.087 3.622 2.486 240 2HB ALA 31 HB2 ALA 31 -19.620 2.641 2.497 241 3HB ALA 31 HB3 ALA 31 -20.417 3.019 0.973 242 HA PRO 32 HA PRO 32 -16.049 5.282 4.397 243 1HB PRO 32 HB2 PRO 32 -16.810 3.284 6.403 244 2HB PRO 32 HB1 PRO 32 -16.552 5.021 6.617 245 1HG PRO 32 HG2 PRO 32 -19.074 3.638 6.573 246 2HG PRO 32 HG1 PRO 32 -18.815 5.385 6.691 247 1HD PRO 32 HD2 PRO 32 -19.850 3.913 4.437 248 2HD PRO 32 HD1 PRO 32 -19.561 5.659 4.537 249 H GLY 33 HN GLY 33 -15.040 4.196 2.571 250 1HA GLY 33 HA2 GLY 33 -13.380 2.457 2.151 251 2HA GLY 33 HA1 GLY 33 -14.338 1.347 3.135 252 H SER 34 HN SER 34 -15.609 -0.028 2.046 253 HA SER 34 HA SER 34 -16.836 -1.026 0.344 254 1HB SER 34 HB2 SER 34 -18.525 0.380 -0.169 255 2HB SER 34 HB1 SER 34 -17.578 1.706 0.482 256 HG SER 34 HG SER 34 -18.237 1.919 -1.770 257 HA PRO 35 HA PRO 35 -14.278 -1.823 -3.177 258 1HB PRO 35 HB2 PRO 35 -16.280 -1.131 -5.214 259 2HB PRO 35 HB1 PRO 35 -15.609 -2.716 -4.805 260 1HG PRO 35 HG2 PRO 35 -18.221 -1.772 -4.160 261 2HG PRO 35 HG1 PRO 35 -17.461 -3.254 -3.563 262 1HD PRO 35 HD2 PRO 35 -18.034 -0.829 -2.080 263 2HD PRO 35 HD1 PRO 35 -17.330 -2.338 -1.470 264 H GLN 36 HN GLN 36 -16.281 1.079 -3.870 265 HA GLN 36 HA GLN 36 -14.852 2.429 -5.727 266 1HB GLN 36 HB2 GLN 36 -16.015 3.429 -3.143 267 2HB GLN 36 HB1 GLN 36 -15.296 4.553 -4.299 268 1HG GLN 36 HG2 GLN 36 -17.746 4.313 -4.660 269 2HG GLN 36 HG1 GLN 36 -16.823 3.751 -6.053 270 1HE2 GLN 36 HE21 GLN 36 -18.486 2.543 -3.106 271 2HE2 GLN 36 HE22 GLN 36 -18.815 1.003 -3.739 272 H PHE 37 HN PHE 37 -13.582 1.748 -2.517 273 HA PHE 37 HA PHE 37 -11.243 3.531 -2.844 274 1HB PHE 37 HB2 PHE 37 -11.992 3.265 -0.600 275 2HB PHE 37 HB1 PHE 37 -12.200 1.538 -0.786 276 HD1 PHE 37 HD1 PHE 37 -10.170 0.057 -0.976 277 HD2 PHE 37 HD2 PHE 37 -9.897 4.215 0.068 278 HE1 PHE 37 HE1 PHE 37 -7.891 -0.316 -0.078 279 HE2 PHE 37 HE2 PHE 37 -7.617 3.841 0.964 280 HZ PHE 37 HZ PHE 37 -6.614 1.574 0.895 281 H MET 38 HN MET 38 -12.101 0.412 -3.872 282 HA MET 38 HA MET 38 -9.268 -0.470 -4.112 283 1HB MET 38 HB2 MET 38 -10.610 -2.322 -3.619 284 2HB MET 38 HB1 MET 38 -11.958 -1.737 -4.584 285 1HG MET 38 HG2 MET 38 -10.642 -3.725 -5.539 286 2HG MET 38 HG1 MET 38 -10.893 -2.359 -6.626 287 1HE MET 38 HE1 MET 38 -9.164 -3.703 -7.918 288 2HE MET 38 HE2 MET 38 -8.450 -4.768 -6.710 289 3HE MET 38 HE3 MET 38 -7.418 -3.681 -7.635 290 H GLN 39 HN GLN 39 -11.999 0.500 -6.185 291 HA GLN 39 HA GLN 39 -10.636 0.189 -8.663 292 1HB GLN 39 HB2 GLN 39 -12.846 2.049 -7.765 293 2HB GLN 39 HB1 GLN 39 -12.254 2.027 -9.427 294 1HG GLN 39 HG2 GLN 39 -12.800 -0.347 -9.628 295 2HG GLN 39 HG1 GLN 39 -13.308 -0.396 -7.939 296 1HE2 GLN 39 HE21 GLN 39 -14.407 0.188 -11.137 297 2HE2 GLN 39 HE22 GLN 39 -15.918 0.853 -10.741 298 H THR 40 HN THR 40 -10.718 2.796 -6.290 299 HA THR 40 HA THR 40 -9.065 4.662 -7.847 300 HB THR 40 HB THR 40 -9.171 5.913 -5.770 301 HG1 THR 40 HG1 THR 40 -9.686 3.443 -4.780 302 1HG2 THR 40 HG21 THR 40 -11.731 4.658 -6.683 303 2HG2 THR 40 HG22 THR 40 -11.165 6.307 -6.922 304 3HG2 THR 40 HG23 THR 40 -11.739 5.792 -5.331 305 H ILE 41 HN ILE 41 -8.464 2.290 -5.312 306 HA ILE 41 HA ILE 41 -5.656 3.160 -5.159 307 HB ILE 41 HB ILE 41 -7.072 0.726 -4.062 308 1HG1 ILE 41 HG12 ILE 41 -7.566 3.196 -3.262 309 2HG1 ILE 41 HG11 ILE 41 -7.350 1.914 -2.080 310 1HG2 ILE 41 HG21 ILE 41 -4.982 0.619 -2.596 311 2HG2 ILE 41 HG22 ILE 41 -4.242 1.715 -3.762 312 3HG2 ILE 41 HG23 ILE 41 -4.787 0.121 -4.277 313 1HD1 ILE 41 HD11 ILE 41 -5.217 2.644 -1.461 314 2HD1 ILE 41 HD12 ILE 41 -6.033 4.175 -1.782 315 3HD1 ILE 41 HD13 ILE 41 -4.948 3.483 -2.987 316 H ARG 42 HN ARG 42 -7.564 1.179 -7.136 317 HA ARG 42 HA ARG 42 -5.576 -0.725 -7.958 318 1HB ARG 42 HB2 ARG 42 -8.041 -0.911 -8.422 319 2HB ARG 42 HB1 ARG 42 -7.859 0.397 -9.591 320 1HG ARG 42 HG2 ARG 42 -6.182 -0.972 -10.820 321 2HG ARG 42 HG1 ARG 42 -6.450 -2.289 -9.678 322 1HD ARG 42 HD2 ARG 42 -8.393 -1.129 -11.678 323 2HD ARG 42 HD1 ARG 42 -7.848 -2.799 -11.529 324 HE ARG 42 HE ARG 42 -9.092 -2.296 -9.106 325 1HH1 ARG 42 HH21 ARG 42 -9.897 -1.985 -12.443 326 2HH1 ARG 42 HH22 ARG 42 -11.588 -2.274 -12.200 327 1HH2 ARG 42 HH11 ARG 42 -11.294 -2.675 -8.768 328 2HH2 ARG 42 HH12 ARG 42 -12.379 -2.664 -10.118 329 H LEU 43 HN LEU 43 -6.743 2.309 -9.460 330 HA LEU 43 HA LEU 43 -4.449 2.275 -11.317 331 1HB LEU 43 HB2 LEU 43 -5.543 4.282 -12.288 332 2HB LEU 43 HB1 LEU 43 -6.612 2.889 -12.207 333 HG LEU 43 HG LEU 43 -7.224 4.001 -9.817 334 1HD1 LEU 43 HD11 LEU 43 -6.352 6.313 -11.575 335 2HD1 LEU 43 HD12 LEU 43 -5.799 5.942 -9.943 336 3HD1 LEU 43 HD13 LEU 43 -7.448 6.492 -10.209 337 1HD2 LEU 43 HD21 LEU 43 -8.352 4.872 -12.493 338 2HD2 LEU 43 HD22 LEU 43 -9.163 5.067 -10.939 339 3HD2 LEU 43 HD23 LEU 43 -8.845 3.451 -11.571 340 H ALA 44 HN ALA 44 -4.966 3.490 -8.193 341 HA ALA 44 HA ALA 44 -3.209 5.867 -8.646 342 1HB ALA 44 HB1 ALA 44 -4.300 4.846 -6.010 343 2HB ALA 44 HB2 ALA 44 -5.199 5.940 -7.059 344 3HB ALA 44 HB3 ALA 44 -3.664 6.451 -6.357 345 H VAL 45 HN VAL 45 -3.080 2.839 -6.741 346 HA VAL 45 HA VAL 45 -0.277 3.325 -6.118 347 HB VAL 45 HB VAL 45 -2.118 0.944 -5.760 348 1HG1 VAL 45 HG11 VAL 45 0.045 -0.031 -6.089 349 2HG1 VAL 45 HG12 VAL 45 -0.197 0.037 -4.347 350 3HG1 VAL 45 HG13 VAL 45 0.833 1.225 -5.142 351 1HG2 VAL 45 HG21 VAL 45 -0.701 2.718 -3.750 352 2HG2 VAL 45 HG22 VAL 45 -1.944 1.515 -3.411 353 3HG2 VAL 45 HG23 VAL 45 -2.356 2.985 -4.296 354 H GLN 46 HN GLN 46 -2.106 1.738 -8.665 355 HA GLN 46 HA GLN 46 0.222 0.267 -9.662 356 1HB GLN 46 HB2 GLN 46 -2.146 -0.504 -9.984 357 2HB GLN 46 HB1 GLN 46 -2.385 0.859 -11.080 358 1HG GLN 46 HG2 GLN 46 -0.656 0.045 -12.568 359 2HG GLN 46 HG1 GLN 46 -0.230 -1.239 -11.436 360 1HE2 GLN 46 HE21 GLN 46 -0.828 -3.027 -12.792 361 2HE2 GLN 46 HE22 GLN 46 -2.430 -3.315 -13.274 362 H GLN 47 HN GLN 47 -1.090 3.488 -10.093 363 HA GLN 47 HA GLN 47 0.241 3.840 -12.676 364 1HB GLN 47 HB2 GLN 47 -1.368 5.648 -10.897 365 2HB GLN 47 HB1 GLN 47 -0.496 6.293 -12.284 366 1HG GLN 47 HG2 GLN 47 -2.349 3.921 -12.561 367 2HG GLN 47 HG1 GLN 47 -2.944 5.578 -12.677 368 1HE2 GLN 47 HE21 GLN 47 -3.066 3.852 -14.936 369 2HE2 GLN 47 HE22 GLN 47 -1.973 4.408 -16.110 370 H PHE 48 HN PHE 48 0.466 5.712 -9.642 371 HA PHE 48 HA PHE 48 3.173 6.607 -10.387 372 1HB PHE 48 HB2 PHE 48 1.405 7.236 -8.008 373 2HB PHE 48 HB1 PHE 48 2.979 7.974 -8.304 374 HD1 PHE 48 HD1 PHE 48 -0.482 7.624 -9.589 375 HD2 PHE 48 HD2 PHE 48 3.278 9.662 -9.992 376 HE1 PHE 48 HE1 PHE 48 -1.541 9.279 -11.103 377 HE2 PHE 48 HE2 PHE 48 2.219 11.316 -11.505 378 HZ PHE 48 HZ PHE 48 -0.190 11.125 -12.061 379 H ASP 49 HN ASP 49 1.981 3.884 -8.867 380 HA ASP 49 HA ASP 49 2.841 2.526 -7.065 381 1HB ASP 49 HB2 ASP 49 5.261 2.969 -8.820 382 2HB ASP 49 HB1 ASP 49 4.972 1.584 -7.768 383 HA PRO 50 HA PRO 50 4.850 6.052 -4.745 384 1HB PRO 50 HB2 PRO 50 3.607 4.733 -2.411 385 2HB PRO 50 HB1 PRO 50 3.434 6.402 -2.972 386 1HG PRO 50 HG2 PRO 50 1.466 4.404 -3.207 387 2HG PRO 50 HG1 PRO 50 1.490 5.928 -4.107 388 1HD PRO 50 HD2 PRO 50 2.032 3.215 -5.086 389 2HD PRO 50 HD1 PRO 50 1.762 4.695 -6.029 390 H THR 51 HN THR 51 6.650 5.880 -3.217 391 HA THR 51 HA THR 51 8.120 3.353 -3.460 392 HB THR 51 HB THR 51 9.826 4.584 -2.082 393 HG1 THR 51 HG1 THR 51 8.908 6.106 -0.948 394 1HG2 THR 51 HG21 THR 51 10.177 6.390 -3.867 395 2HG2 THR 51 HG22 THR 51 8.684 5.803 -4.599 396 3HG2 THR 51 HG23 THR 51 10.072 4.726 -4.442 397 H ALA 52 HN ALA 52 9.121 2.395 -1.363 398 HA ALA 52 HA ALA 52 7.185 1.375 0.355 399 1HB ALA 52 HB1 ALA 52 8.978 0.797 1.875 400 2HB ALA 52 HB2 ALA 52 10.006 2.074 1.226 401 3HB ALA 52 HB3 ALA 52 9.612 0.669 0.235 402 H LYS 53 HN LYS 53 9.501 3.835 1.471 403 HA LYS 53 HA LYS 53 8.222 4.798 3.707 404 1HB LYS 53 HB2 LYS 53 9.553 6.491 1.580 405 2HB LYS 53 HB1 LYS 53 9.306 6.965 3.257 406 1HG LYS 53 HG2 LYS 53 10.913 5.471 4.068 407 2HG LYS 53 HG1 LYS 53 10.775 4.400 2.674 408 1HD LYS 53 HD2 LYS 53 12.050 5.831 1.292 409 2HD LYS 53 HD1 LYS 53 11.847 7.207 2.373 410 1HE LYS 53 HE2 LYS 53 13.290 6.211 4.031 411 2HE LYS 53 HE1 LYS 53 13.341 4.687 3.145 412 1HZ LYS 53 HZ1 LYS 53 14.208 7.158 1.813 413 2HZ LYS 53 HZ2 LYS 53 14.700 5.555 1.538 414 3HZ LYS 53 HZ3 LYS 53 15.260 6.396 2.904 415 H ASP 54 HN ASP 54 7.345 5.514 0.337 416 HA ASP 54 HA ASP 54 5.279 7.501 1.090 417 1HB ASP 54 HB2 ASP 54 6.589 7.234 -1.226 418 2HB ASP 54 HB1 ASP 54 5.345 6.032 -1.544 419 H LEU 55 HN LEU 55 5.591 4.095 0.858 420 HA LEU 55 HA LEU 55 2.795 3.489 0.579 421 1HB LEU 55 HB2 LEU 55 4.826 1.851 0.573 422 2HB LEU 55 HB1 LEU 55 4.704 1.918 2.329 423 HG LEU 55 HG LEU 55 2.153 1.378 1.902 424 1HD1 LEU 55 HD11 LEU 55 1.893 -0.125 -0.093 425 2HD1 LEU 55 HD12 LEU 55 3.479 0.403 -0.650 426 3HD1 LEU 55 HD13 LEU 55 2.157 1.563 -0.525 427 1HD2 LEU 55 HD21 LEU 55 2.724 -1.081 1.877 428 2HD2 LEU 55 HD22 LEU 55 3.600 -0.151 3.093 429 3HD2 LEU 55 HD23 LEU 55 4.406 -0.629 1.598 430 H GLN 56 HN GLN 56 4.903 4.386 3.288 431 HA GLN 56 HA GLN 56 3.071 4.042 5.419 432 1HB GLN 56 HB2 GLN 56 5.153 6.224 5.176 433 2HB GLN 56 HB1 GLN 56 4.494 5.543 6.663 434 1HG GLN 56 HG2 GLN 56 5.435 3.323 6.021 435 2HG GLN 56 HG1 GLN 56 6.179 4.080 4.612 436 1HE2 GLN 56 HE21 GLN 56 7.510 2.834 7.029 437 2HE2 GLN 56 HE22 GLN 56 8.501 4.057 7.666 438 H ASP 57 HN ASP 57 3.977 7.230 4.070 439 HA ASP 57 HA ASP 57 1.889 8.749 5.076 440 1HB ASP 57 HB2 ASP 57 3.750 9.536 3.508 441 2HB ASP 57 HB1 ASP 57 2.727 8.994 2.176 442 H LEU 58 HN LEU 58 1.549 6.270 2.644 443 HA LEU 58 HA LEU 58 -1.285 7.072 2.151 444 1HB LEU 58 HB2 LEU 58 0.617 5.074 0.913 445 2HB LEU 58 HB1 LEU 58 -1.115 4.886 0.678 446 HG LEU 58 HG LEU 58 0.162 6.182 -1.125 447 1HD1 LEU 58 HD11 LEU 58 -1.672 7.594 -1.582 448 2HD1 LEU 58 HD12 LEU 58 -2.036 7.828 0.124 449 3HD1 LEU 58 HD13 LEU 58 -2.370 6.278 -0.644 450 1HD2 LEU 58 HD21 LEU 58 0.007 8.477 0.831 451 2HD2 LEU 58 HD22 LEU 58 0.843 8.414 -0.717 452 3HD2 LEU 58 HD23 LEU 58 1.464 7.507 0.655 453 H LEU 59 HN LEU 59 0.623 4.789 3.938 454 HA LEU 59 HA LEU 59 -1.784 3.210 4.705 455 1HB LEU 59 HB2 LEU 59 0.670 2.308 4.245 456 2HB LEU 59 HB1 LEU 59 0.967 2.838 5.894 457 HG LEU 59 HG LEU 59 -1.320 0.990 5.126 458 1HD1 LEU 59 HD11 LEU 59 1.404 0.247 6.229 459 2HD1 LEU 59 HD12 LEU 59 0.890 -0.002 4.560 460 3HD1 LEU 59 HD13 LEU 59 0.081 -0.862 5.869 461 1HD2 LEU 59 HD21 LEU 59 -0.704 0.435 7.734 462 2HD2 LEU 59 HD22 LEU 59 -1.919 1.606 7.255 463 3HD2 LEU 59 HD23 LEU 59 -0.301 2.150 7.684 464 H GLN 60 HN GLN 60 0.162 5.846 5.828 465 HA GLN 60 HA GLN 60 -0.883 5.589 8.602 466 1HB GLN 60 HB2 GLN 60 1.103 7.433 7.269 467 2HB GLN 60 HB1 GLN 60 0.578 7.635 8.942 468 1HG GLN 60 HG2 GLN 60 1.293 5.283 9.406 469 2HG GLN 60 HG1 GLN 60 1.924 5.187 7.761 470 1HE2 GLN 60 HE21 GLN 60 2.921 7.960 7.688 471 2HE2 GLN 60 HE22 GLN 60 4.268 8.020 8.720 472 H TYR 61 HN TYR 61 -1.465 7.377 5.658 473 HA TYR 61 HA TYR 61 -3.013 9.483 7.078 474 1HB TYR 61 HB2 TYR 61 -1.418 10.020 5.176 475 2HB TYR 61 HB1 TYR 61 -2.546 9.194 4.101 476 HD1 TYR 61 HD1 TYR 61 -2.161 12.047 6.446 477 HD2 TYR 61 HD2 TYR 61 -4.618 10.203 3.444 478 HE1 TYR 61 HE1 TYR 61 -3.552 14.097 6.325 479 HE2 TYR 61 HE2 TYR 61 -6.008 12.252 3.323 480 HH TYR 61 HH TYR 61 -6.479 14.215 4.335 481 H LEU 62 HN LEU 62 -3.494 7.040 4.502 482 HA LEU 62 HA LEU 62 -6.389 7.482 4.493 483 1HB LEU 62 HB2 LEU 62 -4.772 5.166 3.373 484 2HB LEU 62 HB1 LEU 62 -6.458 5.516 3.004 485 HG LEU 62 HG LEU 62 -4.190 7.454 2.469 486 1HD1 LEU 62 HD11 LEU 62 -4.562 6.743 0.057 487 2HD1 LEU 62 HD12 LEU 62 -5.492 5.383 0.686 488 3HD1 LEU 62 HD13 LEU 62 -3.781 5.539 1.082 489 1HD2 LEU 62 HD21 LEU 62 -7.141 7.370 1.810 490 2HD2 LEU 62 HD22 LEU 62 -6.025 8.297 0.811 491 3HD2 LEU 62 HD23 LEU 62 -6.206 8.686 2.518 492 H CYS 63 HN CYS 63 -4.260 5.775 6.524 493 HA CYS 63 HA CYS 63 -6.513 4.071 7.517 494 1HB CYS 63 HB2 CYS 63 -3.651 3.756 8.386 495 2HB CYS 63 HB1 CYS 63 -4.936 2.561 8.360 496 HG CYS 63 HG CYS 63 -4.408 2.020 6.005 497 H SER 64 HN SER 64 -4.771 3.865 10.073 498 HA SER 64 HA SER 64 -4.665 6.495 11.288 499 1HB SER 64 HB2 SER 64 -6.990 6.590 11.215 500 2HB SER 64 HB1 SER 64 -7.167 4.864 11.505 501 HG SER 64 HG SER 64 -7.447 6.580 13.302 502 H SER 65 HN SER 65 -5.917 3.371 12.437 503 HA SER 65 HA SER 65 -3.399 2.843 13.905 504 1HB SER 65 HB2 SER 65 -6.100 3.138 15.259 505 2HB SER 65 HB1 SER 65 -4.666 2.465 16.029 506 HG SER 65 HG SER 65 -3.626 4.478 15.577 507 H LEU 66 HN LEU 66 -6.635 1.505 14.504 508 HA LEU 66 HA LEU 66 -5.792 -1.185 14.225 509 1HB LEU 66 HB2 LEU 66 -8.581 -0.173 13.615 510 2HB LEU 66 HB1 LEU 66 -8.123 -1.766 14.216 511 HG LEU 66 HG LEU 66 -7.935 0.872 15.696 512 1HD1 LEU 66 HD11 LEU 66 -9.497 -1.688 16.140 513 2HD1 LEU 66 HD12 LEU 66 -10.157 -0.108 15.719 514 3HD1 LEU 66 HD13 LEU 66 -9.420 -0.363 17.301 515 1HD2 LEU 66 HD21 LEU 66 -5.971 -0.276 16.360 516 2HD2 LEU 66 HD22 LEU 66 -6.762 -1.851 16.293 517 3HD2 LEU 66 HD23 LEU 66 -7.151 -0.722 17.593 518 H VAL 67 HN VAL 67 -7.797 0.652 11.889 519 HA VAL 67 HA VAL 67 -7.986 -0.938 9.792 520 HB VAL 67 HB VAL 67 -6.835 1.832 9.425 521 1HG1 VAL 67 HG11 VAL 67 -7.097 0.339 7.394 522 2HG1 VAL 67 HG12 VAL 67 -8.002 1.850 7.333 523 3HG1 VAL 67 HG13 VAL 67 -8.830 0.343 7.717 524 1HG2 VAL 67 HG21 VAL 67 -8.655 1.983 10.998 525 2HG2 VAL 67 HG22 VAL 67 -9.646 0.890 10.030 526 3HG2 VAL 67 HG23 VAL 67 -9.272 2.506 9.430 527 H ALA 68 HN ALA 68 -4.950 0.840 10.441 528 HA ALA 68 HA ALA 68 -3.299 -0.166 8.351 529 1HB ALA 68 HB1 ALA 68 -1.412 0.247 9.960 530 2HB ALA 68 HB2 ALA 68 -2.614 0.594 11.202 531 3HB ALA 68 HB3 ALA 68 -2.503 1.620 9.772 532 H SER 69 HN SER 69 -4.105 -1.522 11.536 533 HA SER 69 HA SER 69 -2.442 -3.826 11.629 534 1HB SER 69 HB2 SER 69 -5.315 -3.725 12.502 535 2HB SER 69 HB1 SER 69 -3.991 -4.663 13.163 536 HG SER 69 HG SER 69 -4.490 -2.746 14.365 537 H LEU 70 HN LEU 70 -5.887 -3.814 10.862 538 HA LEU 70 HA LEU 70 -6.472 -6.129 9.756 539 1HB LEU 70 HB2 LEU 70 -7.340 -3.352 9.091 540 2HB LEU 70 HB1 LEU 70 -8.025 -4.703 8.202 541 HG LEU 70 HG LEU 70 -9.395 -4.050 10.173 542 1HD1 LEU 70 HD11 LEU 70 -10.014 -6.208 10.634 543 2HD1 LEU 70 HD12 LEU 70 -8.367 -6.747 10.947 544 3HD1 LEU 70 HD13 LEU 70 -8.934 -6.558 9.291 545 1HD2 LEU 70 HD21 LEU 70 -8.587 -4.401 12.421 546 2HD2 LEU 70 HD22 LEU 70 -7.435 -3.360 11.587 547 3HD2 LEU 70 HD23 LEU 70 -7.072 -5.073 11.823 548 H HIS 71 HN HIS 71 -6.090 -3.517 7.388 549 HA HIS 71 HA HIS 71 -6.047 -5.191 5.321 550 1HB HIS 71 HB2 HIS 71 -4.381 -2.664 5.141 551 2HB HIS 71 HB1 HIS 71 -5.321 -3.416 3.855 552 HD1 HIS 71 HD1 HIS 71 -7.341 -3.643 6.797 553 HD2 HIS 71 HD2 HIS 71 -6.470 -0.576 4.113 554 HE1 HIS 71 HE1 HIS 71 -9.141 -1.895 7.103 555 H HIS 72 HN HIS 72 -3.046 -3.922 6.859 556 HA HIS 72 HA HIS 72 -1.406 -5.495 5.082 557 1HB HIS 72 HB2 HIS 72 -0.370 -3.536 6.121 558 2HB HIS 72 HB1 HIS 72 -0.709 -4.163 7.734 559 HD1 HIS 72 HD1 HIS 72 1.819 -4.206 5.088 560 HD2 HIS 72 HD2 HIS 72 0.807 -6.650 8.309 561 HE1 HIS 72 HE1 HIS 72 3.807 -5.723 5.488 562 H GLN 73 HN GLN 73 -3.319 -6.242 7.738 563 HA GLN 73 HA GLN 73 -1.932 -8.410 8.952 564 1HB GLN 73 HB2 GLN 73 -4.333 -7.422 9.472 565 2HB GLN 73 HB1 GLN 73 -4.881 -8.625 8.304 566 1HG GLN 73 HG2 GLN 73 -5.001 -9.651 10.473 567 2HG GLN 73 HG1 GLN 73 -3.613 -10.360 9.648 568 1HE2 GLN 73 HE21 GLN 73 -3.262 -10.679 12.237 569 2HE2 GLN 73 HE22 GLN 73 -2.273 -9.495 12.946 570 H GLN 74 HN GLN 74 -4.356 -8.546 6.317 571 HA GLN 74 HA GLN 74 -3.972 -11.097 5.391 572 1HB GLN 74 HB2 GLN 74 -4.368 -8.526 3.851 573 2HB GLN 74 HB1 GLN 74 -4.356 -10.086 3.032 574 1HG GLN 74 HG2 GLN 74 -6.144 -9.464 5.395 575 2HG GLN 74 HG1 GLN 74 -6.653 -9.262 3.719 576 1HE2 GLN 74 HE21 GLN 74 -5.513 -11.534 2.508 577 2HE2 GLN 74 HE22 GLN 74 -6.193 -12.936 3.182 578 H LEU 75 HN LEU 75 -2.323 -8.276 3.824 579 HA LEU 75 HA LEU 75 -0.132 -9.291 2.461 580 1HB LEU 75 HB2 LEU 75 -0.858 -6.849 3.253 581 2HB LEU 75 HB1 LEU 75 0.373 -7.133 4.478 582 HG LEU 75 HG LEU 75 0.796 -7.378 1.473 583 1HD1 LEU 75 HD11 LEU 75 2.029 -5.313 1.646 584 2HD1 LEU 75 HD12 LEU 75 1.876 -5.303 3.403 585 3HD1 LEU 75 HD13 LEU 75 0.455 -5.040 2.392 586 1HD2 LEU 75 HD21 LEU 75 2.606 -7.706 3.882 587 2HD2 LEU 75 HD22 LEU 75 3.234 -7.412 2.261 588 3HD2 LEU 75 HD23 LEU 75 2.300 -8.868 2.593 589 H ASP 76 HN ASP 76 0.023 -8.603 5.956 590 HA ASP 76 HA ASP 76 2.392 -9.430 6.860 591 1HB ASP 76 HB2 ASP 76 0.119 -9.110 8.107 592 2HB ASP 76 HB1 ASP 76 0.067 -10.866 8.098 593 H SER 77 HN SER 77 -0.072 -11.983 6.754 594 HA SER 77 HA SER 77 1.895 -14.084 6.469 595 1HB SER 77 HB2 SER 77 -1.125 -14.029 6.407 596 2HB SER 77 HB1 SER 77 -0.165 -15.510 6.310 597 HG SER 77 HG SER 77 0.824 -14.792 8.320 598 H LEU 78 HN LEU 78 -0.356 -12.423 4.244 599 HA LEU 78 HA LEU 78 -0.467 -14.244 2.218 600 1HB LEU 78 HB2 LEU 78 -0.919 -11.449 2.493 601 2HB LEU 78 HB1 LEU 78 0.091 -11.609 1.063 602 HG LEU 78 HG LEU 78 -1.548 -13.500 0.404 603 1HD1 LEU 78 HD11 LEU 78 -3.860 -13.120 1.285 604 2HD1 LEU 78 HD12 LEU 78 -3.178 -12.001 2.463 605 3HD1 LEU 78 HD13 LEU 78 -2.731 -13.704 2.508 606 1HD2 LEU 78 HD21 LEU 78 -2.179 -10.544 0.379 607 2HD2 LEU 78 HD22 LEU 78 -3.209 -11.705 -0.459 608 3HD2 LEU 78 HD23 LEU 78 -1.518 -11.527 -0.927 609 H ILE 79 HN ILE 79 2.025 -11.645 2.465 610 HA ILE 79 HA ILE 79 3.818 -12.554 0.550 611 HB ILE 79 HB ILE 79 3.902 -10.991 3.099 612 1HG1 ILE 79 HG12 ILE 79 3.526 -9.903 0.925 613 2HG1 ILE 79 HG11 ILE 79 5.017 -9.326 1.660 614 1HG2 ILE 79 HG21 ILE 79 6.386 -12.260 1.933 615 2HG2 ILE 79 HG22 ILE 79 5.839 -12.254 3.611 616 3HG2 ILE 79 HG23 ILE 79 6.444 -10.770 2.877 617 1HD1 ILE 79 HD11 ILE 79 5.932 -11.444 0.145 618 2HD1 ILE 79 HD12 ILE 79 5.921 -9.764 -0.382 619 3HD1 ILE 79 HD13 ILE 79 4.601 -10.837 -0.836 620 H SER 80 HN SER 80 3.806 -13.409 4.053 621 HA SER 80 HA SER 80 5.836 -15.297 4.050 622 1HB SER 80 HB2 SER 80 3.197 -15.829 5.424 623 2HB SER 80 HB1 SER 80 4.807 -16.320 5.944 624 HG SER 80 HG SER 80 5.257 -14.270 6.512 625 H GLU 81 HN GLU 81 2.396 -16.007 3.228 626 HA GLU 81 HA GLU 81 3.087 -18.709 2.434 627 1HB GLU 81 HB2 GLU 81 0.855 -17.880 3.359 628 2HB GLU 81 HB1 GLU 81 0.554 -17.219 1.753 629 1HG GLU 81 HG2 GLU 81 -0.443 -19.399 1.791 630 2HG GLU 81 HG1 GLU 81 1.030 -19.539 0.833 631 H ALA 82 HN ALA 82 2.834 -15.620 0.686 632 HA ALA 82 HA ALA 82 2.378 -16.902 -1.779 633 1HB ALA 82 HB1 ALA 82 1.834 -14.609 -1.782 634 2HB ALA 82 HB2 ALA 82 3.279 -14.661 -2.796 635 3HB ALA 82 HB3 ALA 82 3.398 -14.144 -1.114 636 H GLU 83 HN GLU 83 5.295 -15.830 -0.104 637 HA GLU 83 HA GLU 83 7.091 -16.383 -2.284 638 1HB GLU 83 HB2 GLU 83 7.796 -16.164 0.657 639 2HB GLU 83 HB1 GLU 83 8.899 -15.964 -0.705 640 1HG GLU 83 HG2 GLU 83 6.507 -14.200 -0.106 641 2HG GLU 83 HG1 GLU 83 8.192 -13.772 0.181 642 H THR 84 HN THR 84 5.845 -18.261 0.422 643 HA THR 84 HA THR 84 7.720 -20.406 0.294 644 HB THR 84 HB THR 84 4.958 -21.313 0.767 645 HG1 THR 84 HG1 THR 84 4.652 -19.885 2.557 646 1HG2 THR 84 HG21 THR 84 7.197 -22.201 1.708 647 2HG2 THR 84 HG22 THR 84 5.841 -22.073 2.828 648 3HG2 THR 84 HG23 THR 84 7.108 -20.847 2.836 649 H ARG 85 HN ARG 85 4.618 -19.901 -1.392 650 HA ARG 85 HA ARG 85 4.320 -22.117 -2.939 651 1HB ARG 85 HB2 ARG 85 2.760 -20.351 -3.202 652 2HB ARG 85 HB1 ARG 85 3.998 -19.216 -3.713 653 1HG ARG 85 HG2 ARG 85 3.443 -21.715 -5.320 654 2HG ARG 85 HG1 ARG 85 2.434 -20.290 -5.521 655 1HD ARG 85 HD2 ARG 85 5.040 -19.249 -5.702 656 2HD ARG 85 HD1 ARG 85 5.145 -20.789 -6.545 657 HE ARG 85 HE ARG 85 2.817 -19.628 -7.525 658 1HH1 ARG 85 HH21 ARG 85 6.138 -18.767 -7.194 659 2HH1 ARG 85 HH22 ARG 85 6.153 -17.753 -8.598 660 1HH2 ARG 85 HH11 ARG 85 2.818 -18.310 -9.362 661 2HH2 ARG 85 HH12 ARG 85 4.274 -17.495 -9.826 662 H GLY 86 HN GLY 86 6.864 -19.655 -3.415 663 1HA GLY 86 HA2 GLY 86 8.974 -20.492 -4.420 664 2HA GLY 86 HA1 GLY 86 8.008 -21.396 -5.584 665 H ILE 87 HN ILE 87 8.115 -18.007 -4.415 666 HA ILE 87 HA ILE 87 7.216 -16.885 -6.881 667 HB ILE 87 HB ILE 87 7.366 -15.878 -4.484 668 1HG1 ILE 87 HG12 ILE 87 7.731 -13.503 -5.626 669 2HG1 ILE 87 HG11 ILE 87 7.710 -14.452 -7.110 670 1HG2 ILE 87 HG21 ILE 87 10.048 -16.118 -4.752 671 2HG2 ILE 87 HG22 ILE 87 9.290 -14.910 -3.725 672 3HG2 ILE 87 HG23 ILE 87 9.845 -14.464 -5.331 673 1HD1 ILE 87 HD11 ILE 87 5.542 -14.507 -4.988 674 2HD1 ILE 87 HD12 ILE 87 5.509 -15.360 -6.530 675 3HD1 ILE 87 HD13 ILE 87 5.455 -13.599 -6.496 676 H THR 88 HN THR 88 9.416 -14.871 -6.994 677 HA THR 88 HA THR 88 10.930 -16.012 -9.163 678 HB THR 88 HB THR 88 12.430 -13.936 -8.749 679 HG1 THR 88 HG1 THR 88 11.957 -13.525 -6.639 680 1HG2 THR 88 HG21 THR 88 10.640 -13.997 -10.436 681 2HG2 THR 88 HG22 THR 88 10.695 -12.421 -9.645 682 3HG2 THR 88 HG23 THR 88 9.452 -13.590 -9.198 683 H SER 89 HN SER 89 11.279 -17.926 -7.393 684 HA SER 89 HA SER 89 12.752 -19.082 -5.996 685 1HB SER 89 HB2 SER 89 13.972 -19.124 -8.172 686 2HB SER 89 HB1 SER 89 14.778 -17.620 -7.733 687 HG SER 89 HG SER 89 15.304 -20.179 -6.970 688 H TYR 90 HN TYR 90 12.042 -16.195 -5.410 689 HA TYR 90 HA TYR 90 12.549 -14.510 -3.906 690 1HB TYR 90 HB2 TYR 90 13.381 -15.416 -1.675 691 2HB TYR 90 HB1 TYR 90 11.874 -16.101 -2.296 692 HD1 TYR 90 HD1 TYR 90 15.459 -16.703 -1.674 693 HD2 TYR 90 HD2 TYR 90 11.788 -18.392 -3.132 694 HE1 TYR 90 HE1 TYR 90 16.471 -18.966 -1.598 695 HE2 TYR 90 HE2 TYR 90 12.801 -20.656 -3.057 696 HH TYR 90 HH TYR 90 14.629 -21.837 -2.644 697 H ASN 91 HN ASN 91 14.027 -12.986 -4.007 698 HA ASN 91 HA ASN 91 16.936 -13.670 -3.742 699 1HB ASN 91 HB2 ASN 91 16.951 -13.484 -5.995 700 2HB ASN 91 HB1 ASN 91 15.589 -12.392 -6.062 701 1HD2 ASN 91 HD21 ASN 91 16.851 -10.875 -7.422 702 2HD2 ASN 91 HD22 ASN 91 18.102 -9.938 -6.761 703 HA PRO 92 HA PRO 92 16.455 -9.028 -2.333 704 1HB PRO 92 HB2 PRO 92 13.964 -7.872 -2.670 705 2HB PRO 92 HB1 PRO 92 15.282 -7.709 -3.840 706 1HG PRO 92 HG2 PRO 92 12.853 -9.447 -3.967 707 2HG PRO 92 HG1 PRO 92 13.736 -8.665 -5.287 708 1HD PRO 92 HD2 PRO 92 13.951 -11.361 -4.693 709 2HD PRO 92 HD1 PRO 92 15.209 -10.389 -5.484 710 H LEU 93 HN LEU 93 12.998 -9.827 -1.971 711 HA LEU 93 HA LEU 93 12.271 -9.118 0.375 712 1HB LEU 93 HB2 LEU 93 11.829 -11.887 0.874 713 2HB LEU 93 HB1 LEU 93 10.697 -10.760 0.137 714 HG LEU 93 HG LEU 93 12.851 -11.941 -1.615 715 1HD1 LEU 93 HD11 LEU 93 10.391 -13.387 -0.624 716 2HD1 LEU 93 HD12 LEU 93 12.071 -13.909 -0.504 717 3HD1 LEU 93 HD13 LEU 93 11.274 -13.850 -2.078 718 1HD2 LEU 93 HD21 LEU 93 11.260 -10.204 -2.440 719 2HD2 LEU 93 HD22 LEU 93 9.922 -11.280 -2.039 720 3HD2 LEU 93 HD23 LEU 93 11.074 -11.738 -3.293 721 H ALA 94 HN ALA 94 14.357 -11.876 0.303 722 HA ALA 94 HA ALA 94 15.271 -12.660 2.631 723 1HB ALA 94 HB1 ALA 94 17.285 -11.049 1.073 724 2HB ALA 94 HB2 ALA 94 16.625 -12.570 0.465 725 3HB ALA 94 HB3 ALA 94 17.538 -12.544 1.977 726 H GLY 95 HN GLY 95 16.165 -9.338 1.669 727 1HA GLY 95 HA2 GLY 95 16.889 -8.480 4.349 728 2HA GLY 95 HA1 GLY 95 16.636 -7.425 2.953 729 HA PRO 96 HA PRO 96 13.058 -6.917 5.666 730 1HB PRO 96 HB2 PRO 96 12.868 -4.064 5.275 731 2HB PRO 96 HB1 PRO 96 13.522 -4.899 6.694 732 1HG PRO 96 HG2 PRO 96 14.996 -3.486 4.600 733 2HG PRO 96 HG1 PRO 96 15.622 -4.173 6.103 734 1HD PRO 96 HD2 PRO 96 15.897 -5.252 3.412 735 2HD PRO 96 HD1 PRO 96 16.559 -5.906 4.919 736 H LEU 97 HN LEU 97 10.660 -5.748 4.822 737 HA LEU 97 HA LEU 97 10.484 -6.391 1.977 738 1HB LEU 97 HB2 LEU 97 8.505 -5.404 4.051 739 2HB LEU 97 HB1 LEU 97 8.061 -5.508 2.349 740 HG LEU 97 HG LEU 97 8.493 -7.885 2.312 741 1HD1 LEU 97 HD11 LEU 97 9.144 -8.995 4.539 742 2HD1 LEU 97 HD12 LEU 97 9.619 -7.382 5.071 743 3HD1 LEU 97 HD13 LEU 97 10.420 -8.126 3.687 744 1HD2 LEU 97 HD21 LEU 97 6.861 -8.662 4.013 745 2HD2 LEU 97 HD22 LEU 97 6.303 -7.202 3.196 746 3HD2 LEU 97 HD23 LEU 97 6.979 -7.099 4.821 747 H ARG 98 HN ARG 98 9.777 -3.392 3.836 748 HA ARG 98 HA ARG 98 9.327 -1.529 1.913 749 1HB ARG 98 HB2 ARG 98 11.227 -1.284 4.254 750 2HB ARG 98 HB1 ARG 98 10.712 0.094 3.283 751 1HG ARG 98 HG2 ARG 98 8.398 -0.268 3.865 752 2HG ARG 98 HG1 ARG 98 8.785 -1.799 4.653 753 1HD ARG 98 HD2 ARG 98 9.705 0.953 5.534 754 2HD ARG 98 HD1 ARG 98 8.511 -0.059 6.348 755 HE ARG 98 HE ARG 98 10.765 -1.662 6.244 756 1HH1 ARG 98 HH21 ARG 98 10.015 1.529 7.311 757 2HH1 ARG 98 HH22 ARG 98 11.208 1.533 8.567 758 1HH2 ARG 98 HH11 ARG 98 12.327 -1.676 7.876 759 2HH2 ARG 98 HH12 ARG 98 12.517 -0.282 8.887 760 H VAL 99 HN VAL 99 12.184 -3.303 2.360 761 HA VAL 99 HA VAL 99 13.970 -1.661 0.671 762 HB VAL 99 HB VAL 99 14.202 -4.087 2.374 763 1HG1 VAL 99 HG11 VAL 99 15.768 -3.867 -0.219 764 2HG1 VAL 99 HG12 VAL 99 14.805 -5.233 0.342 765 3HG1 VAL 99 HG13 VAL 99 16.316 -4.826 1.155 766 1HG2 VAL 99 HG21 VAL 99 16.175 -1.943 1.497 767 2HG2 VAL 99 HG22 VAL 99 16.435 -3.095 2.802 768 3HG2 VAL 99 HG23 VAL 99 15.169 -1.874 2.942 769 H GLN 100 HN GLN 100 12.141 -4.687 0.346 770 HA GLN 100 HA GLN 100 12.888 -5.568 -2.168 771 1HB GLN 100 HB2 GLN 100 10.128 -5.360 -0.948 772 2HB GLN 100 HB1 GLN 100 10.410 -6.153 -2.499 773 1HG GLN 100 HG2 GLN 100 12.017 -7.667 -1.445 774 2HG GLN 100 HG1 GLN 100 11.762 -6.871 0.105 775 1HE2 GLN 100 HE21 GLN 100 9.465 -7.981 -2.450 776 2HE2 GLN 100 HE22 GLN 100 8.519 -8.917 -1.396 777 H ALA 101 HN ALA 101 10.303 -3.137 -1.605 778 HA ALA 101 HA ALA 101 10.430 -2.462 -4.494 779 1HB ALA 101 HB1 ALA 101 8.191 -2.487 -3.690 780 2HB ALA 101 HB2 ALA 101 8.586 -0.769 -3.765 781 3HB ALA 101 HB3 ALA 101 8.623 -1.616 -2.219 782 H ASN 102 HN ASN 102 11.524 -1.011 -1.483 783 HA ASN 102 HA ASN 102 12.089 1.549 -2.766 784 1HB ASN 102 HB2 ASN 102 11.815 1.288 -0.281 785 2HB ASN 102 HB1 ASN 102 13.337 0.395 -0.251 786 1HD2 ASN 102 HD21 ASN 102 15.211 1.640 -0.035 787 2HD2 ASN 102 HD22 ASN 102 15.290 3.317 -0.285 788 H ASN 103 HN ASN 103 13.021 -0.716 -4.269 789 HA ASN 103 HA ASN 103 15.975 -0.198 -4.245 790 1HB ASN 103 HB2 ASN 103 14.505 -2.826 -4.383 791 2HB ASN 103 HB1 ASN 103 16.149 -2.656 -4.998 792 1HD2 ASN 103 HD21 ASN 103 15.729 -0.483 -2.439 793 2HD2 ASN 103 HD22 ASN 103 16.384 -1.432 -1.193 794 HA PRO 104 HA PRO 104 14.235 0.706 -8.446 795 1HB PRO 104 HB2 PRO 104 16.783 2.052 -8.975 796 2HB PRO 104 HB1 PRO 104 15.157 2.748 -8.918 797 1HG PRO 104 HG2 PRO 104 17.193 3.125 -6.980 798 2HG PRO 104 HG1 PRO 104 15.486 3.551 -6.792 799 1HD PRO 104 HD2 PRO 104 16.970 1.344 -5.552 800 2HD PRO 104 HD1 PRO 104 15.345 1.945 -5.154 801 H GLN 105 HN GLN 105 17.332 -0.648 -7.433 802 HA GLN 105 HA GLN 105 18.008 -1.676 -10.067 803 1HB GLN 105 HB2 GLN 105 18.990 -2.548 -7.328 804 2HB GLN 105 HB1 GLN 105 19.733 -2.972 -8.871 805 1HG GLN 105 HG2 GLN 105 20.123 -0.570 -9.333 806 2HG GLN 105 HG1 GLN 105 19.419 -0.165 -7.767 807 1HE2 GLN 105 HE21 GLN 105 21.781 -2.705 -8.790 808 2HE2 GLN 105 HE22 GLN 105 22.949 -2.285 -7.633 809 H GLN 106 HN GLN 106 15.673 -2.504 -7.807 810 HA GLN 106 HA GLN 106 15.133 -5.055 -9.204 811 1HB GLN 106 HB2 GLN 106 15.430 -4.893 -6.184 812 2HB GLN 106 HB1 GLN 106 14.912 -6.312 -7.096 813 1HG GLN 106 HG2 GLN 106 17.120 -6.166 -8.351 814 2HG GLN 106 HG1 GLN 106 17.623 -4.968 -7.158 815 1HE2 GLN 106 HE21 GLN 106 17.479 -5.732 -4.794 816 2HE2 GLN 106 HE22 GLN 106 17.805 -7.367 -4.476 817 H GLN 107 HN GLN 107 13.394 -3.550 -9.928 818 HA GLN 107 HA GLN 107 11.387 -2.801 -7.880 819 1HB GLN 107 HB2 GLN 107 10.232 -1.767 -9.887 820 2HB GLN 107 HB1 GLN 107 11.835 -1.119 -9.537 821 1HG GLN 107 HG2 GLN 107 12.836 -2.467 -11.274 822 2HG GLN 107 HG1 GLN 107 11.324 -3.339 -11.534 823 1HE2 GLN 107 HE21 GLN 107 11.593 0.187 -11.017 824 2HE2 GLN 107 HE22 GLN 107 11.032 0.618 -12.560 825 H GLY 108 HN GLY 108 11.991 -5.517 -9.834 826 1HA GLY 108 HA2 GLY 108 9.562 -6.328 -10.906 827 2HA GLY 108 HA1 GLY 108 10.644 -7.455 -10.090 828 H LEU 109 HN LEU 109 10.544 -7.126 -7.625 829 HA LEU 109 HA LEU 109 8.059 -7.992 -6.562 830 1HB LEU 109 HB2 LEU 109 10.357 -6.500 -5.312 831 2HB LEU 109 HB1 LEU 109 8.914 -6.882 -4.376 832 HG LEU 109 HG LEU 109 10.733 -8.590 -4.192 833 1HD1 LEU 109 HD11 LEU 109 9.246 -10.359 -4.047 834 2HD1 LEU 109 HD12 LEU 109 8.459 -9.988 -5.566 835 3HD1 LEU 109 HD13 LEU 109 8.101 -9.032 -4.127 836 1HD2 LEU 109 HD21 LEU 109 11.298 -9.991 -6.053 837 2HD2 LEU 109 HD22 LEU 109 11.439 -8.324 -6.611 838 3HD2 LEU 109 HD23 LEU 109 10.024 -9.283 -7.047 839 H ARG 110 HN ARG 110 9.229 -4.603 -6.714 840 HA ARG 110 HA ARG 110 7.095 -3.260 -5.596 841 1HB ARG 110 HB2 ARG 110 9.110 -2.261 -6.894 842 2HB ARG 110 HB1 ARG 110 8.075 -2.381 -8.316 843 1HG ARG 110 HG2 ARG 110 6.342 -1.043 -7.162 844 2HG ARG 110 HG1 ARG 110 7.415 -0.877 -5.773 845 1HD ARG 110 HD2 ARG 110 7.871 0.166 -8.578 846 2HD ARG 110 HD1 ARG 110 7.677 1.113 -7.103 847 HE ARG 110 HE ARG 110 9.886 -0.471 -6.577 848 1HH1 ARG 110 HH21 ARG 110 8.891 1.674 -9.087 849 2HH1 ARG 110 HH22 ARG 110 10.501 2.182 -9.473 850 1HH2 ARG 110 HH11 ARG 110 11.995 0.182 -7.067 851 2HH2 ARG 110 HH12 ARG 110 12.258 1.338 -8.330 852 H ARG 111 HN ARG 111 7.034 -4.854 -8.773 853 HA ARG 111 HA ARG 111 4.182 -4.064 -9.109 854 1HB ARG 111 HB2 ARG 111 5.785 -5.991 -10.831 855 2HB ARG 111 HB1 ARG 111 4.275 -5.191 -11.251 856 1HG ARG 111 HG2 ARG 111 5.518 -3.549 -12.237 857 2HG ARG 111 HG1 ARG 111 6.023 -3.057 -10.624 858 1HD ARG 111 HD2 ARG 111 7.989 -3.443 -12.026 859 2HD ARG 111 HD1 ARG 111 7.918 -4.668 -10.761 860 HE ARG 111 HE ARG 111 6.590 -5.843 -12.887 861 1HH1 ARG 111 HH21 ARG 111 9.639 -4.316 -12.380 862 2HH1 ARG 111 HH22 ARG 111 10.464 -5.270 -13.567 863 1HH2 ARG 111 HH11 ARG 111 7.650 -7.099 -14.438 864 2HH2 ARG 111 HH12 ARG 111 9.338 -6.846 -14.732 865 H GLU 112 HN GLU 112 6.063 -6.905 -8.134 866 HA GLU 112 HA GLU 112 3.852 -8.729 -8.163 867 1HB GLU 112 HB2 GLU 112 6.355 -9.223 -7.610 868 2HB GLU 112 HB1 GLU 112 5.938 -8.725 -5.969 869 1HG GLU 112 HG2 GLU 112 5.654 -11.109 -6.052 870 2HG GLU 112 HG1 GLU 112 4.034 -10.404 -6.056 871 H TYR 113 HN TYR 113 4.906 -6.231 -6.012 872 HA TYR 113 HA TYR 113 3.121 -6.698 -3.813 873 1HB TYR 113 HB2 TYR 113 4.555 -4.284 -4.891 874 2HB TYR 113 HB1 TYR 113 3.260 -4.013 -3.727 875 HD1 TYR 113 HD1 TYR 113 5.560 -6.948 -3.875 876 HD2 TYR 113 HD2 TYR 113 4.488 -3.340 -1.801 877 HE1 TYR 113 HE1 TYR 113 7.075 -7.564 -2.023 878 HE2 TYR 113 HE2 TYR 113 6.014 -3.959 0.054 879 HH TYR 113 HH TYR 113 6.989 -6.662 0.803 880 H GLN 114 HN GLN 114 2.742 -4.281 -6.419 881 HA GLN 114 HA GLN 114 0.129 -3.531 -6.201 882 1HB GLN 114 HB2 GLN 114 1.790 -4.202 -8.620 883 2HB GLN 114 HB1 GLN 114 0.092 -3.789 -8.853 884 1HG GLN 114 HG2 GLN 114 1.519 -1.792 -9.045 885 2HG GLN 114 HG1 GLN 114 0.439 -1.667 -7.661 886 1HE2 GLN 114 HE21 GLN 114 1.523 -2.614 -5.519 887 2HE2 GLN 114 HE22 GLN 114 3.145 -2.177 -5.276 888 H GLN 115 HN GLN 115 1.216 -6.752 -7.012 889 HA GLN 115 HA GLN 115 -1.455 -7.634 -7.860 890 1HB GLN 115 HB2 GLN 115 0.773 -8.553 -8.740 891 2HB GLN 115 HB1 GLN 115 0.909 -9.397 -7.197 892 1HG GLN 115 HG2 GLN 115 -1.242 -10.506 -7.590 893 2HG GLN 115 HG1 GLN 115 -1.425 -9.636 -9.114 894 1HE2 GLN 115 HE21 GLN 115 1.257 -11.514 -7.571 895 2HE2 GLN 115 HE22 GLN 115 1.590 -12.443 -8.952 896 H LEU 116 HN LEU 116 0.736 -8.325 -5.069 897 HA LEU 116 HA LEU 116 -1.442 -9.739 -3.731 898 1HB LEU 116 HB2 LEU 116 1.195 -8.950 -2.476 899 2HB LEU 116 HB1 LEU 116 0.160 -10.322 -2.075 900 HG LEU 116 HG LEU 116 1.726 -9.938 -4.643 901 1HD1 LEU 116 HD11 LEU 116 2.847 -12.045 -3.834 902 2HD1 LEU 116 HD12 LEU 116 1.980 -11.857 -2.310 903 3HD1 LEU 116 HD13 LEU 116 3.150 -10.637 -2.815 904 1HD2 LEU 116 HD21 LEU 116 -0.276 -11.055 -5.274 905 2HD2 LEU 116 HD22 LEU 116 -0.321 -11.992 -3.781 906 3HD2 LEU 116 HD23 LEU 116 0.887 -12.354 -5.014 907 H TRP 117 HN TRP 117 -0.288 -6.562 -4.004 908 HA TRP 117 HA TRP 117 -1.113 -5.584 -1.375 909 1HB TRP 117 HB2 TRP 117 0.751 -4.505 -2.529 910 2HB TRP 117 HB1 TRP 117 -0.276 -4.152 -3.916 911 HD1 TRP 117 HD1 TRP 117 -1.845 -2.093 -3.788 912 HE1 TRP 117 HE1 TRP 117 -2.165 -0.197 -2.071 913 HE3 TRP 117 HE3 TRP 117 0.829 -3.992 0.123 914 HZ2 TRP 117 HZ2 TRP 117 -1.385 0.431 0.609 915 HZ3 TRP 117 HZ3 TRP 117 1.026 -2.726 2.244 916 HH2 TRP 117 HH2 TRP 117 -0.076 -0.519 2.491 917 H LEU 118 HN LEU 118 -2.361 -5.396 -4.736 918 HA LEU 118 HA LEU 118 -4.772 -3.926 -3.946 919 1HB LEU 118 HB2 LEU 118 -4.164 -5.548 -6.434 920 2HB LEU 118 HB1 LEU 118 -5.550 -4.476 -6.213 921 HG LEU 118 HG LEU 118 -2.658 -3.572 -6.026 922 1HD1 LEU 118 HD11 LEU 118 -3.365 -4.361 -8.318 923 2HD1 LEU 118 HD12 LEU 118 -2.902 -2.660 -8.244 924 3HD1 LEU 118 HD13 LEU 118 -4.608 -3.109 -8.297 925 1HD2 LEU 118 HD21 LEU 118 -3.909 -1.301 -6.440 926 2HD2 LEU 118 HD22 LEU 118 -3.932 -1.989 -4.824 927 3HD2 LEU 118 HD23 LEU 118 -5.333 -2.173 -5.877 928 H ALA 119 HN ALA 119 -3.852 -7.323 -4.061 929 HA ALA 119 HA ALA 119 -6.606 -8.274 -3.652 930 1HB ALA 119 HB1 ALA 119 -4.543 -9.752 -4.172 931 2HB ALA 119 HB2 ALA 119 -5.600 -10.316 -2.877 932 3HB ALA 119 HB3 ALA 119 -4.085 -9.503 -2.487 933 H ALA 120 HN ALA 120 -4.160 -8.238 -1.026 934 HA ALA 120 HA ALA 120 -5.995 -8.158 1.041 935 1HB ALA 120 HB1 ALA 120 -3.308 -6.812 0.817 936 2HB ALA 120 HB2 ALA 120 -3.703 -8.329 1.623 937 3HB ALA 120 HB3 ALA 120 -4.244 -6.793 2.314 938 H PHE 121 HN PHE 121 -5.822 -5.695 -1.314 939 HA PHE 121 HA PHE 121 -7.005 -3.708 0.600 940 1HB PHE 121 HB2 PHE 121 -5.299 -3.393 -1.818 941 2HB PHE 121 HB1 PHE 121 -6.427 -2.109 -1.420 942 HD1 PHE 121 HD1 PHE 121 -5.550 -0.383 -0.109 943 HD2 PHE 121 HD2 PHE 121 -4.044 -4.373 0.413 944 HE1 PHE 121 HE1 PHE 121 -3.997 0.432 1.642 945 HE2 PHE 121 HE2 PHE 121 -2.490 -3.556 2.163 946 HZ PHE 121 HZ PHE 121 -2.469 -1.154 2.779 947 H ALA 122 HN ALA 122 -7.366 -5.464 -2.356 948 HA ALA 122 HA ALA 122 -9.056 -4.157 -3.866 949 1HB ALA 122 HB1 ALA 122 -8.358 -6.163 -4.713 950 2HB ALA 122 HB2 ALA 122 -10.053 -6.544 -4.417 951 3HB ALA 122 HB3 ALA 122 -8.817 -7.055 -3.266 952 H ALA 123 HN ALA 123 -10.304 -6.890 -2.343 953 HA ALA 123 HA ALA 123 -13.036 -5.918 -1.726 954 1HB ALA 123 HB1 ALA 123 -13.572 -8.215 -1.297 955 2HB ALA 123 HB2 ALA 123 -11.869 -8.648 -1.136 956 3HB ALA 123 HB3 ALA 123 -12.525 -8.219 -2.717 957 H LEU 124 HN LEU 124 -11.147 -4.597 -0.244 958 HA LEU 124 HA LEU 124 -10.463 -5.759 2.185 959 1HB LEU 124 HB2 LEU 124 -10.435 -3.149 1.015 960 2HB LEU 124 HB1 LEU 124 -11.096 -2.980 2.642 961 HG LEU 124 HG LEU 124 -8.542 -4.513 2.093 962 1HD1 LEU 124 HD11 LEU 124 -7.277 -2.534 2.603 963 2HD1 LEU 124 HD12 LEU 124 -8.732 -1.636 3.040 964 3HD1 LEU 124 HD13 LEU 124 -8.430 -2.058 1.358 965 1HD2 LEU 124 HD21 LEU 124 -9.826 -4.824 4.234 966 2HD2 LEU 124 HD22 LEU 124 -9.571 -3.117 4.560 967 3HD2 LEU 124 HD23 LEU 124 -8.187 -4.200 4.456 968 HA PRO 125 HA PRO 125 -14.682 -3.658 3.729 969 1HB PRO 125 HB2 PRO 125 -16.331 -4.408 1.394 970 2HB PRO 125 HB1 PRO 125 -16.393 -2.934 2.378 971 1HG PRO 125 HG2 PRO 125 -15.281 -3.028 -0.159 972 2HG PRO 125 HG1 PRO 125 -14.821 -1.844 1.076 973 1HD PRO 125 HD2 PRO 125 -13.284 -4.126 0.060 974 2HD PRO 125 HD1 PRO 125 -12.710 -2.731 0.987 975 H GLY 126 HN GLY 126 -15.124 -6.329 1.445 976 1HA GLY 126 HA2 GLY 126 -16.257 -7.916 3.656 977 2HA GLY 126 HA1 GLY 126 -16.135 -8.430 1.962 978 H SER 127 HN SER 127 -14.105 -7.639 4.778 979 HA SER 127 HA SER 127 -12.853 -10.053 4.973 980 1HB SER 127 HB2 SER 127 -11.736 -8.559 2.689 981 2HB SER 127 HB1 SER 127 -10.528 -9.300 3.731 982 HG SER 127 HG SER 127 -12.366 -10.441 2.036 983 H ALA 128 HN ALA 128 -11.135 -6.901 4.703 984 HA ALA 128 HA ALA 128 -10.341 -7.287 7.597 985 1HB ALA 128 HB1 ALA 128 -8.138 -6.746 7.093 986 2HB ALA 128 HB2 ALA 128 -8.543 -6.188 5.482 987 3HB ALA 128 HB3 ALA 128 -8.638 -7.896 5.861 988 H LYS 129 HN LYS 129 -12.126 -5.667 7.962 989 HA LYS 129 HA LYS 129 -10.864 -3.143 8.451 990 1HB LYS 129 HB2 LYS 129 -12.141 -1.590 7.119 991 2HB LYS 129 HB1 LYS 129 -11.145 -2.663 6.173 992 1HG LYS 129 HG2 LYS 129 -12.918 -3.600 5.105 993 2HG LYS 129 HG1 LYS 129 -13.894 -3.661 6.559 994 1HD LYS 129 HD2 LYS 129 -14.931 -2.073 5.015 995 2HD LYS 129 HD1 LYS 129 -14.267 -1.166 6.348 996 1HE LYS 129 HE2 LYS 129 -13.233 0.090 4.748 997 2HE LYS 129 HE1 LYS 129 -12.128 -1.269 4.563 998 1HZ LYS 129 HZ1 LYS 129 -13.361 -0.395 2.513 999 2HZ LYS 129 HZ2 LYS 129 -14.706 -1.226 3.134 1000 3HZ LYS 129 HZ3 LYS 129 -13.284 -2.073 2.750 1001 H ASP 130 HN ASP 130 -13.754 -1.981 7.779 1002 HA ASP 130 HA ASP 130 -15.780 -3.056 9.453 1003 1HB ASP 130 HB2 ASP 130 -14.377 -2.586 11.368 1004 2HB ASP 130 HB1 ASP 130 -14.024 -0.964 10.777 1005 HA PRO 131 HA PRO 131 -16.948 0.626 6.880 1006 1HB PRO 131 HB2 PRO 131 -18.497 -0.661 5.054 1007 2HB PRO 131 HB1 PRO 131 -16.731 -0.681 4.943 1008 1HG PRO 131 HG2 PRO 131 -18.577 -2.871 5.804 1009 2HG PRO 131 HG1 PRO 131 -16.989 -3.000 5.041 1010 1HD PRO 131 HD2 PRO 131 -17.576 -3.253 7.847 1011 2HD PRO 131 HD1 PRO 131 -15.972 -3.208 7.108 1012 H SER 132 HN SER 132 -19.077 -2.137 7.415 1013 HA SER 132 HA SER 132 -21.099 -1.104 9.145 1014 1HB SER 132 HB2 SER 132 -22.802 -0.663 7.206 1015 2HB SER 132 HB1 SER 132 -21.709 0.628 7.683 1016 HG SER 132 HG SER 132 -21.736 0.306 5.417 1017 H TRP 133 HN TRP 133 -19.720 -3.558 8.305 1018 HA TRP 133 HA TRP 133 -20.193 -5.813 7.992 1019 1HB TRP 133 HB2 TRP 133 -21.858 -5.177 9.825 1020 2HB TRP 133 HB1 TRP 133 -23.074 -5.069 8.552 1021 HD1 TRP 133 HD1 TRP 133 -24.131 -7.257 7.721 1022 HE1 TRP 133 HE1 TRP 133 -23.774 -9.756 8.243 1023 HE3 TRP 133 HE3 TRP 133 -19.871 -6.973 10.522 1024 HZ2 TRP 133 HZ2 TRP 133 -21.926 -11.415 9.662 1025 HZ3 TRP 133 HZ3 TRP 133 -18.834 -9.026 11.446 1026 HH2 TRP 133 HH2 TRP 133 -19.856 -11.244 11.020 1027 H ALA 134 HN ALA 134 -22.766 -3.839 6.462 1028 HA ALA 134 HA ALA 134 -23.753 -4.065 4.342 1029 1HB ALA 134 HB1 ALA 134 -21.189 -5.466 3.560 1030 2HB ALA 134 HB2 ALA 134 -21.278 -3.718 3.776 1031 3HB ALA 134 HB3 ALA 134 -22.256 -4.504 2.536 Start of MODEL 19 1 HT1 PRO 1 HT2 PRO 1 7.011 9.076 0.784 2 HT2 PRO 1 HT1 PRO 1 7.455 10.335 1.825 3 HA PRO 1 HA PRO 1 8.034 7.559 2.016 4 1HB PRO 1 HB2 PRO 1 10.496 9.036 2.693 5 2HB PRO 1 HB1 PRO 1 10.311 7.499 1.836 6 1HG PRO 1 HG2 PRO 1 10.970 9.928 0.631 7 2HG PRO 1 HG1 PRO 1 10.322 8.513 -0.213 8 1HD PRO 1 HD2 PRO 1 8.981 11.050 0.396 9 2HD PRO 1 HD1 PRO 1 8.481 9.769 -0.711 10 H VAL 2 HN VAL 2 9.035 7.263 4.303 11 HA VAL 2 HA VAL 2 8.169 9.381 6.196 12 HB VAL 2 HB VAL 2 7.262 6.484 6.211 13 1HG1 VAL 2 HG11 VAL 2 7.918 6.922 8.467 14 2HG1 VAL 2 HG12 VAL 2 6.172 7.165 8.414 15 3HG1 VAL 2 HG13 VAL 2 7.256 8.556 8.413 16 1HG2 VAL 2 HG21 VAL 2 5.970 8.263 4.929 17 2HG2 VAL 2 HG22 VAL 2 5.678 9.043 6.484 18 3HG2 VAL 2 HG23 VAL 2 5.052 7.421 6.180 19 H MET 3 HN MET 3 10.053 9.828 7.183 20 HA MET 3 HA MET 3 12.034 7.641 7.668 21 1HB MET 3 HB2 MET 3 12.200 10.642 7.684 22 2HB MET 3 HB1 MET 3 13.544 9.566 8.071 23 1HG MET 3 HG2 MET 3 11.954 9.331 5.495 24 2HG MET 3 HG1 MET 3 13.407 10.331 5.629 25 1HE MET 3 HE1 MET 3 14.585 8.422 3.529 26 2HE MET 3 HE2 MET 3 12.840 8.233 3.670 27 3HE MET 3 HE3 MET 3 13.878 6.813 3.712 28 H HIS 4 HN HIS 4 12.650 7.082 9.758 29 HA HIS 4 HA HIS 4 11.752 8.739 12.053 30 1HB HIS 4 HB2 HIS 4 10.778 6.720 13.165 31 2HB HIS 4 HB1 HIS 4 9.874 7.238 11.741 32 HD1 HIS 4 HD1 HIS 4 11.207 6.007 9.430 33 HD2 HIS 4 HD2 HIS 4 10.948 3.974 13.060 34 HE1 HIS 4 HE1 HIS 4 11.494 3.548 8.896 35 HA PRO 5 HA PRO 5 15.945 6.762 12.502 36 1HB PRO 5 HB2 PRO 5 16.973 9.211 13.605 37 2HB PRO 5 HB1 PRO 5 17.303 8.533 12.008 38 1HG PRO 5 HG2 PRO 5 15.704 10.864 12.634 39 2HG PRO 5 HG1 PRO 5 16.059 10.190 11.037 40 1HD PRO 5 HD2 PRO 5 13.566 10.045 12.533 41 2HD PRO 5 HD1 PRO 5 13.886 9.470 10.884 42 H HIS 6 HN HIS 6 14.595 5.627 14.208 43 HA HIS 6 HA HIS 6 14.047 5.139 16.450 44 1HB HIS 6 HB2 HIS 6 16.671 6.569 16.959 45 2HB HIS 6 HB1 HIS 6 15.918 5.342 17.978 46 HD1 HIS 6 HD1 HIS 6 18.320 5.713 15.294 47 HD2 HIS 6 HD2 HIS 6 15.661 2.733 16.489 48 HE1 HIS 6 HE1 HIS 6 19.085 3.577 14.168 49 H GLY 7 HN GLY 7 15.285 7.009 18.602 50 1HA GLY 7 HA2 GLY 7 12.939 8.590 19.050 51 2HA GLY 7 HA1 GLY 7 14.472 8.787 19.903 52 H ALA 8 HN ALA 8 12.464 10.005 17.372 53 HA ALA 8 HA ALA 8 13.996 12.439 17.225 54 1HB ALA 8 HB1 ALA 8 15.242 12.142 15.312 55 2HB ALA 8 HB2 ALA 8 13.961 11.229 14.508 56 3HB ALA 8 HB3 ALA 8 15.028 10.430 15.654 57 HA PRO 9 HA PRO 9 10.179 13.815 15.477 58 1HB PRO 9 HB2 PRO 9 11.010 15.323 13.208 59 2HB PRO 9 HB1 PRO 9 10.809 15.933 14.858 60 1HG PRO 9 HG2 PRO 9 13.285 15.605 13.426 61 2HG PRO 9 HG1 PRO 9 13.084 16.116 15.110 62 1HD PRO 9 HD2 PRO 9 13.886 13.481 14.054 63 2HD PRO 9 HD1 PRO 9 14.060 14.119 15.705 64 HA PRO 10 HA PRO 10 9.619 10.860 12.141 65 1HB PRO 10 HB2 PRO 10 6.847 11.403 11.723 66 2HB PRO 10 HB1 PRO 10 7.526 10.118 12.732 67 1HG PRO 10 HG2 PRO 10 6.240 12.616 13.584 68 2HG PRO 10 HG1 PRO 10 6.676 11.207 14.563 69 1HD PRO 10 HD2 PRO 10 8.025 13.743 14.505 70 2HD PRO 10 HD1 PRO 10 8.538 12.270 15.359 71 H ASN 11 HN ASN 11 10.742 11.892 10.442 72 HA ASN 11 HA ASN 11 9.719 14.336 9.236 73 1HB ASN 11 HB2 ASN 11 12.088 12.581 8.898 74 2HB ASN 11 HB1 ASN 11 11.585 13.434 7.441 75 1HD2 ASN 11 HD21 ASN 11 11.949 14.226 10.956 76 2HD2 ASN 11 HD22 ASN 11 12.721 15.713 10.685 77 H HIS 12 HN HIS 12 7.549 13.484 8.776 78 HA HIS 12 HA HIS 12 7.213 11.395 6.801 79 1HB HIS 12 HB2 HIS 12 4.852 12.173 6.748 80 2HB HIS 12 HB1 HIS 12 5.421 11.910 8.396 81 HD1 HIS 12 HD1 HIS 12 6.716 14.347 9.289 82 HD2 HIS 12 HD2 HIS 12 3.487 14.557 6.661 83 HE1 HIS 12 HE1 HIS 12 5.773 16.689 9.498 84 H ARG 13 HN ARG 13 6.921 11.622 4.592 85 HA ARG 13 HA ARG 13 7.389 14.356 3.439 86 1HB ARG 13 HB2 ARG 13 8.296 11.627 2.566 87 2HB ARG 13 HB1 ARG 13 8.301 13.007 1.472 88 1HG ARG 13 HG2 ARG 13 9.957 14.117 2.645 89 2HG ARG 13 HG1 ARG 13 9.541 13.354 4.178 90 1HD ARG 13 HD2 ARG 13 10.518 11.232 3.447 91 2HD ARG 13 HD1 ARG 13 10.841 11.908 1.849 92 HE ARG 13 HE ARG 13 12.155 13.629 3.598 93 1HH1 ARG 13 HH21 ARG 13 12.095 10.252 2.926 94 2HH1 ARG 13 HH22 ARG 13 13.741 9.995 3.400 95 1HH2 ARG 13 HH11 ARG 13 14.303 13.313 4.225 96 2HH2 ARG 13 HH12 ARG 13 14.991 11.726 4.137 97 HA PRO 14 HA PRO 14 3.157 13.016 2.271 98 1HB PRO 14 HB2 PRO 14 2.864 15.850 1.517 99 2HB PRO 14 HB1 PRO 14 1.886 14.894 2.639 100 1HG PRO 14 HG2 PRO 14 3.702 16.871 3.405 101 2HG PRO 14 HG1 PRO 14 3.119 15.575 4.464 102 1HD PRO 14 HD2 PRO 14 5.766 15.885 3.198 103 2HD PRO 14 HD1 PRO 14 5.299 14.845 4.563 104 H TRP 15 HN TRP 15 5.841 14.193 0.514 105 HA TRP 15 HA TRP 15 6.358 14.099 -1.693 106 1HB TRP 15 HB2 TRP 15 5.115 11.776 -1.239 107 2HB TRP 15 HB1 TRP 15 3.922 12.462 -2.339 108 HD1 TRP 15 HD1 TRP 15 5.918 14.049 -4.238 109 HE1 TRP 15 HE1 TRP 15 7.421 12.748 -5.874 110 HE3 TRP 15 HE3 TRP 15 5.926 9.467 -1.979 111 HZ2 TRP 15 HZ2 TRP 15 8.496 10.118 -6.182 112 HZ3 TRP 15 HZ3 TRP 15 7.205 7.587 -2.963 113 HH2 TRP 15 HH2 TRP 15 8.487 7.905 -5.060 114 H GLN 16 HN GLN 16 2.752 14.243 -1.585 115 HA GLN 16 HA GLN 16 2.874 16.911 -2.770 116 1HB GLN 16 HB2 GLN 16 1.292 15.811 -4.746 117 2HB GLN 16 HB1 GLN 16 3.004 16.173 -4.921 118 1HG GLN 16 HG2 GLN 16 3.611 13.899 -4.372 119 2HG GLN 16 HG1 GLN 16 1.952 13.504 -3.945 120 1HE2 GLN 16 HE21 GLN 16 2.192 11.791 -5.701 121 2HE2 GLN 16 HE22 GLN 16 1.959 12.252 -7.318 122 H MET 17 HN MET 17 0.594 17.730 -3.230 123 HA MET 17 HA MET 17 -1.423 16.654 -1.255 124 1HB MET 17 HB2 MET 17 -1.065 19.367 -2.560 125 2HB MET 17 HB1 MET 17 -2.398 18.923 -1.493 126 1HG MET 17 HG2 MET 17 0.520 18.750 -0.695 127 2HG MET 17 HG1 MET 17 -0.515 20.130 -0.327 128 1HE MET 17 HE1 MET 17 1.038 18.764 1.749 129 2HE MET 17 HE2 MET 17 -0.035 18.283 3.061 130 3HE MET 17 HE3 MET 17 -0.195 19.885 2.345 131 H LYS 18 HN LYS 18 -1.339 18.146 -4.524 132 HA LYS 18 HA LYS 18 -3.989 17.566 -5.220 133 1HB LYS 18 HB2 LYS 18 -3.212 17.533 -7.570 134 2HB LYS 18 HB1 LYS 18 -2.469 18.856 -6.671 135 1HG LYS 18 HG2 LYS 18 -0.519 17.247 -6.221 136 2HG LYS 18 HG1 LYS 18 -1.226 16.218 -7.466 137 1HD LYS 18 HD2 LYS 18 -0.340 19.097 -7.818 138 2HD LYS 18 HD1 LYS 18 0.471 17.672 -8.466 139 1HE LYS 18 HE2 LYS 18 -0.801 18.437 -10.292 140 2HE LYS 18 HE1 LYS 18 -1.815 17.167 -9.609 141 1HZ LYS 18 HZ1 LYS 18 -2.469 19.834 -9.985 142 2HZ LYS 18 HZ2 LYS 18 -2.332 19.616 -8.306 143 3HZ LYS 18 HZ3 LYS 18 -3.395 18.644 -9.207 144 H ASP 19 HN ASP 19 -1.416 15.382 -4.631 145 HA ASP 19 HA ASP 19 -2.124 13.177 -6.266 146 1HB ASP 19 HB2 ASP 19 -0.031 13.291 -5.098 147 2HB ASP 19 HB1 ASP 19 -0.838 13.241 -3.537 148 H LEU 20 HN LEU 20 -2.415 12.850 -2.758 149 HA LEU 20 HA LEU 20 -4.476 10.971 -2.873 150 1HB LEU 20 HB2 LEU 20 -4.773 12.350 -0.375 151 2HB LEU 20 HB1 LEU 20 -3.955 10.818 -0.672 152 HG LEU 20 HG LEU 20 -2.588 13.485 -1.138 153 1HD1 LEU 20 HD11 LEU 20 -1.577 13.194 1.094 154 2HD1 LEU 20 HD12 LEU 20 -2.612 11.794 1.376 155 3HD1 LEU 20 HD13 LEU 20 -3.326 13.397 1.201 156 1HD2 LEU 20 HD21 LEU 20 -1.750 11.178 -2.067 157 2HD2 LEU 20 HD22 LEU 20 -1.336 10.835 -0.391 158 3HD2 LEU 20 HD23 LEU 20 -0.600 12.208 -1.218 159 H GLN 21 HN GLN 21 -4.692 14.508 -2.620 160 HA GLN 21 HA GLN 21 -7.344 14.946 -2.021 161 1HB GLN 21 HB2 GLN 21 -5.575 16.643 -2.789 162 2HB GLN 21 HB1 GLN 21 -6.080 16.256 -4.434 163 1HG GLN 21 HG2 GLN 21 -7.360 18.170 -3.755 164 2HG GLN 21 HG1 GLN 21 -8.455 16.787 -3.714 165 1HE2 GLN 21 HE21 GLN 21 -5.990 18.021 -1.371 166 2HE2 GLN 21 HE22 GLN 21 -7.059 18.063 -0.053 167 H ALA 22 HN ALA 22 -6.148 14.187 -5.285 168 HA ALA 22 HA ALA 22 -8.760 13.894 -6.425 169 1HB ALA 22 HB1 ALA 22 -7.508 12.376 -8.140 170 2HB ALA 22 HB2 ALA 22 -6.050 12.789 -7.236 171 3HB ALA 22 HB3 ALA 22 -6.984 14.056 -8.033 172 H ILE 23 HN ILE 23 -6.810 11.668 -4.495 173 HA ILE 23 HA ILE 23 -8.623 9.440 -5.073 174 HB ILE 23 HB ILE 23 -6.629 9.902 -2.843 175 1HG1 ILE 23 HG12 ILE 23 -5.427 8.075 -3.909 176 2HG1 ILE 23 HG11 ILE 23 -6.786 7.749 -4.983 177 1HG2 ILE 23 HG21 ILE 23 -8.231 8.677 -1.667 178 2HG2 ILE 23 HG22 ILE 23 -7.220 7.401 -2.342 179 3HG2 ILE 23 HG23 ILE 23 -8.758 7.805 -3.101 180 1HD1 ILE 23 HD11 ILE 23 -5.422 10.440 -4.953 181 2HD1 ILE 23 HD12 ILE 23 -6.445 9.746 -6.208 182 3HD1 ILE 23 HD13 ILE 23 -4.819 9.119 -5.947 183 H LYS 24 HN LYS 24 -8.238 11.633 -2.162 184 HA LYS 24 HA LYS 24 -10.470 11.057 -0.737 185 1HB LYS 24 HB2 LYS 24 -9.174 13.668 -1.429 186 2HB LYS 24 HB1 LYS 24 -10.548 13.612 -0.334 187 1HG LYS 24 HG2 LYS 24 -8.236 11.744 0.160 188 2HG LYS 24 HG1 LYS 24 -8.062 13.440 0.604 189 1HD LYS 24 HD2 LYS 24 -10.166 13.276 1.937 190 2HD LYS 24 HD1 LYS 24 -10.240 11.555 1.557 191 1HE LYS 24 HE2 LYS 24 -9.205 11.950 3.770 192 2HE LYS 24 HE1 LYS 24 -8.066 11.209 2.650 193 1HZ LYS 24 HZ1 LYS 24 -7.026 13.024 3.820 194 2HZ LYS 24 HZ2 LYS 24 -8.242 14.098 3.313 195 3HZ LYS 24 HZ3 LYS 24 -7.175 13.420 2.178 196 H GLN 25 HN GLN 25 -10.637 11.943 -4.035 197 HA GLN 25 HA GLN 25 -13.248 13.297 -3.747 198 1HB GLN 25 HB2 GLN 25 -11.542 12.605 -6.136 199 2HB GLN 25 HB1 GLN 25 -13.153 13.300 -6.283 200 1HG GLN 25 HG2 GLN 25 -10.972 14.559 -4.603 201 2HG GLN 25 HG1 GLN 25 -11.251 14.985 -6.292 202 1HE2 GLN 25 HE21 GLN 25 -13.390 15.968 -6.831 203 2HE2 GLN 25 HE22 GLN 25 -14.293 16.742 -5.620 204 H GLU 26 HN GLU 26 -11.800 10.465 -5.255 205 HA GLU 26 HA GLU 26 -14.204 9.162 -6.166 206 1HB GLU 26 HB2 GLU 26 -11.464 8.078 -5.508 207 2HB GLU 26 HB1 GLU 26 -12.715 7.165 -6.355 208 1HG GLU 26 HG2 GLU 26 -11.656 9.842 -7.301 209 2HG GLU 26 HG1 GLU 26 -11.045 8.292 -7.883 210 H VAL 27 HN VAL 27 -12.857 9.459 -2.999 211 HA VAL 27 HA VAL 27 -14.493 7.146 -2.005 212 HB VAL 27 HB VAL 27 -12.112 7.084 -1.303 213 1HG1 VAL 27 HG11 VAL 27 -12.677 9.717 0.055 214 2HG1 VAL 27 HG12 VAL 27 -11.888 9.596 -1.517 215 3HG1 VAL 27 HG13 VAL 27 -11.129 8.884 -0.094 216 1HG2 VAL 27 HG21 VAL 27 -13.997 6.388 0.232 217 2HG2 VAL 27 HG22 VAL 27 -13.914 7.991 0.961 218 3HG2 VAL 27 HG23 VAL 27 -12.534 6.899 1.073 219 H SER 28 HN SER 28 -14.270 10.563 -2.403 220 HA SER 28 HA SER 28 -16.127 11.038 -0.168 221 1HB SER 28 HB2 SER 28 -14.944 12.833 -2.297 222 2HB SER 28 HB1 SER 28 -16.210 13.388 -1.214 223 HG SER 28 HG SER 28 -14.178 13.863 -0.350 224 H GLN 29 HN GLN 29 -16.188 9.432 -2.805 225 HA GLN 29 HA GLN 29 -18.636 10.464 -4.169 226 1HB GLN 29 HB2 GLN 29 -16.579 9.981 -5.525 227 2HB GLN 29 HB1 GLN 29 -16.755 8.283 -5.081 228 1HG GLN 29 HG2 GLN 29 -19.072 8.320 -6.017 229 2HG GLN 29 HG1 GLN 29 -18.792 9.974 -6.560 230 1HE2 GLN 29 HE21 GLN 29 -16.770 10.229 -8.031 231 2HE2 GLN 29 HE22 GLN 29 -16.454 8.972 -9.126 232 H ALA 30 HN ALA 30 -17.052 7.598 -2.750 233 HA ALA 30 HA ALA 30 -19.653 6.093 -2.722 234 1HB ALA 30 HB1 ALA 30 -17.456 5.118 -3.665 235 2HB ALA 30 HB2 ALA 30 -18.383 4.110 -2.555 236 3HB ALA 30 HB3 ALA 30 -16.950 4.966 -1.983 237 H ALA 31 HN ALA 31 -18.369 4.406 -0.636 238 HA ALA 31 HA ALA 31 -19.192 6.039 1.732 239 1HB ALA 31 HB1 ALA 31 -19.739 3.383 0.896 240 2HB ALA 31 HB2 ALA 31 -20.151 4.085 2.456 241 3HB ALA 31 HB3 ALA 31 -18.632 3.209 2.255 242 HA PRO 32 HA PRO 32 -15.043 6.167 3.215 243 1HB PRO 32 HB2 PRO 32 -15.232 4.878 5.764 244 2HB PRO 32 HB1 PRO 32 -15.408 6.606 5.439 245 1HG PRO 32 HG2 PRO 32 -17.492 4.660 6.116 246 2HG PRO 32 HG1 PRO 32 -17.618 6.425 6.027 247 1HD PRO 32 HD2 PRO 32 -18.653 4.527 4.155 248 2HD PRO 32 HD1 PRO 32 -18.654 6.291 3.983 249 H GLY 33 HN GLY 33 -15.617 3.970 1.524 250 1HA GLY 33 HA2 GLY 33 -13.397 2.298 1.785 251 2HA GLY 33 HA1 GLY 33 -14.708 1.487 2.649 252 H SER 34 HN SER 34 -15.465 -0.077 1.348 253 HA SER 34 HA SER 34 -16.460 -1.127 -0.439 254 1HB SER 34 HB2 SER 34 -18.124 0.116 -1.261 255 2HB SER 34 HB1 SER 34 -17.421 1.482 -0.407 256 HG SER 34 HG SER 34 -17.694 1.240 -2.976 257 HA PRO 35 HA PRO 35 -13.394 -1.538 -3.648 258 1HB PRO 35 HB2 PRO 35 -15.089 -1.400 -5.996 259 2HB PRO 35 HB1 PRO 35 -14.431 -2.846 -5.217 260 1HG PRO 35 HG2 PRO 35 -17.172 -1.958 -5.201 261 2HG PRO 35 HG1 PRO 35 -16.495 -3.365 -4.368 262 1HD PRO 35 HD2 PRO 35 -17.368 -0.845 -3.209 263 2HD PRO 35 HD1 PRO 35 -16.790 -2.296 -2.367 264 H GLN 36 HN GLN 36 -15.853 0.880 -4.469 265 HA GLN 36 HA GLN 36 -14.682 2.484 -6.344 266 1HB GLN 36 HB2 GLN 36 -16.132 3.231 -3.809 267 2HB GLN 36 HB1 GLN 36 -15.661 4.452 -4.997 268 1HG GLN 36 HG2 GLN 36 -17.954 3.714 -5.454 269 2HG GLN 36 HG1 GLN 36 -16.890 3.175 -6.752 270 1HE2 GLN 36 HE21 GLN 36 -19.027 2.101 -4.217 271 2HE2 GLN 36 HE22 GLN 36 -18.817 0.435 -4.467 272 H PHE 37 HN PHE 37 -13.714 2.384 -2.924 273 HA PHE 37 HA PHE 37 -11.631 4.467 -3.278 274 1HB PHE 37 HB2 PHE 37 -12.709 4.325 -1.107 275 2HB PHE 37 HB1 PHE 37 -12.406 2.595 -1.022 276 HD1 PHE 37 HD1 PHE 37 -10.782 2.070 0.571 277 HD2 PHE 37 HD2 PHE 37 -10.298 5.629 -1.795 278 HE1 PHE 37 HE1 PHE 37 -8.628 2.532 1.701 279 HE2 PHE 37 HE2 PHE 37 -8.141 6.079 -0.665 280 HZ PHE 37 HZ PHE 37 -7.305 4.534 1.081 281 H MET 38 HN MET 38 -11.889 1.166 -3.904 282 HA MET 38 HA MET 38 -8.927 0.813 -3.843 283 1HB MET 38 HB2 MET 38 -10.248 -1.166 -3.235 284 2HB MET 38 HB1 MET 38 -11.121 -1.057 -4.763 285 1HG MET 38 HG2 MET 38 -8.158 -1.074 -5.061 286 2HG MET 38 HG1 MET 38 -8.828 -2.549 -4.409 287 1HE MET 38 HE1 MET 38 -7.368 -1.487 -7.200 288 2HE MET 38 HE2 MET 38 -8.081 -2.483 -8.463 289 3HE MET 38 HE3 MET 38 -7.490 -3.236 -6.988 290 H GLN 39 HN GLN 39 -11.487 1.630 -6.045 291 HA GLN 39 HA GLN 39 -10.035 1.027 -8.466 292 1HB GLN 39 HB2 GLN 39 -12.366 2.832 -7.808 293 2HB GLN 39 HB1 GLN 39 -11.677 2.785 -9.432 294 1HG GLN 39 HG2 GLN 39 -12.564 0.296 -7.956 295 2HG GLN 39 HG1 GLN 39 -13.633 1.202 -9.027 296 1HE2 GLN 39 HE21 GLN 39 -11.285 -1.277 -8.962 297 2HE2 GLN 39 HE22 GLN 39 -10.972 -1.350 -10.628 298 H THR 40 HN THR 40 -10.351 3.877 -6.401 299 HA THR 40 HA THR 40 -8.584 5.565 -8.086 300 HB THR 40 HB THR 40 -10.498 6.363 -6.651 301 HG1 THR 40 HG1 THR 40 -8.150 7.416 -7.070 302 1HG2 THR 40 HG21 THR 40 -10.271 6.464 -4.274 303 2HG2 THR 40 HG22 THR 40 -8.594 5.903 -4.370 304 3HG2 THR 40 HG23 THR 40 -9.912 4.809 -4.768 305 H ILE 41 HN ILE 41 -8.202 3.493 -5.319 306 HA ILE 41 HA ILE 41 -5.438 4.469 -4.912 307 HB ILE 41 HB ILE 41 -6.962 2.082 -3.862 308 1HG1 ILE 41 HG12 ILE 41 -7.502 4.289 -2.919 309 2HG1 ILE 41 HG11 ILE 41 -6.764 3.234 -1.718 310 1HG2 ILE 41 HG21 ILE 41 -4.937 1.730 -2.372 311 2HG2 ILE 41 HG22 ILE 41 -4.056 2.774 -3.485 312 3HG2 ILE 41 HG23 ILE 41 -4.741 1.254 -4.058 313 1HD1 ILE 41 HD11 ILE 41 -5.475 5.105 -1.333 314 2HD1 ILE 41 HD12 ILE 41 -5.709 5.727 -2.962 315 3HD1 ILE 41 HD13 ILE 41 -4.525 4.458 -2.669 316 H ARG 42 HN ARG 42 -7.110 2.453 -7.038 317 HA ARG 42 HA ARG 42 -4.988 0.631 -7.738 318 1HB ARG 42 HB2 ARG 42 -7.498 0.515 -8.380 319 2HB ARG 42 HB1 ARG 42 -7.087 1.660 -9.652 320 1HG ARG 42 HG2 ARG 42 -5.239 0.020 -10.326 321 2HG ARG 42 HG1 ARG 42 -6.033 -1.143 -9.264 322 1HD ARG 42 HD2 ARG 42 -6.824 -1.402 -11.583 323 2HD ARG 42 HD1 ARG 42 -8.133 -0.875 -10.527 324 HE ARG 42 HE ARG 42 -7.098 1.493 -11.524 325 1HH1 ARG 42 HH21 ARG 42 -8.244 -1.485 -12.827 326 2HH1 ARG 42 HH22 ARG 42 -8.833 -0.772 -14.292 327 1HH2 ARG 42 HH11 ARG 42 -7.866 2.443 -13.431 328 2HH2 ARG 42 HH12 ARG 42 -8.617 1.450 -14.634 329 H LEU 43 HN LEU 43 -6.110 3.774 -9.037 330 HA LEU 43 HA LEU 43 -3.792 3.889 -10.866 331 1HB LEU 43 HB2 LEU 43 -5.920 5.972 -10.307 332 2HB LEU 43 HB1 LEU 43 -4.805 5.953 -11.669 333 HG LEU 43 HG LEU 43 -6.804 3.743 -11.115 334 1HD1 LEU 43 HD11 LEU 43 -7.011 6.121 -12.986 335 2HD1 LEU 43 HD12 LEU 43 -8.004 5.831 -11.558 336 3HD1 LEU 43 HD13 LEU 43 -8.132 4.760 -12.953 337 1HD2 LEU 43 HD21 LEU 43 -5.089 2.899 -12.521 338 2HD2 LEU 43 HD22 LEU 43 -4.937 4.420 -13.398 339 3HD2 LEU 43 HD23 LEU 43 -6.350 3.398 -13.645 340 H ALA 44 HN ALA 44 -4.429 4.773 -7.625 341 HA ALA 44 HA ALA 44 -2.513 7.065 -7.701 342 1HB ALA 44 HB1 ALA 44 -3.540 5.838 -5.146 343 2HB ALA 44 HB2 ALA 44 -4.641 6.801 -6.129 344 3HB ALA 44 HB3 ALA 44 -3.163 7.526 -5.493 345 H VAL 45 HN VAL 45 -2.590 3.793 -6.260 346 HA VAL 45 HA VAL 45 0.197 4.047 -5.472 347 HB VAL 45 HB VAL 45 -1.716 1.702 -5.623 348 1HG1 VAL 45 HG11 VAL 45 0.118 0.519 -4.286 349 2HG1 VAL 45 HG12 VAL 45 1.207 1.790 -4.841 350 3HG1 VAL 45 HG13 VAL 45 0.431 0.722 -6.009 351 1HG2 VAL 45 HG21 VAL 45 -1.801 1.896 -3.255 352 2HG2 VAL 45 HG22 VAL 45 -1.888 3.558 -3.838 353 3HG2 VAL 45 HG23 VAL 45 -0.369 2.924 -3.207 354 H GLN 46 HN GLN 46 -1.536 3.051 -8.350 355 HA GLN 46 HA GLN 46 0.786 1.657 -9.483 356 1HB GLN 46 HB2 GLN 46 -1.510 0.959 -10.069 357 2HB GLN 46 HB1 GLN 46 -1.808 2.549 -10.774 358 1HG GLN 46 HG2 GLN 46 -0.170 2.203 -12.484 359 2HG GLN 46 HG1 GLN 46 0.454 0.759 -11.685 360 1HE2 GLN 46 HE21 GLN 46 -2.996 1.607 -12.163 361 2HE2 GLN 46 HE22 GLN 46 -3.352 0.266 -13.142 362 H GLN 47 HN GLN 47 -0.378 4.926 -9.334 363 HA GLN 47 HA GLN 47 1.043 5.716 -11.776 364 1HB GLN 47 HB2 GLN 47 -0.629 7.171 -9.751 365 2HB GLN 47 HB1 GLN 47 0.338 8.075 -10.913 366 1HG GLN 47 HG2 GLN 47 -1.502 5.859 -11.830 367 2HG GLN 47 HG1 GLN 47 -2.111 7.494 -11.567 368 1HE2 GLN 47 HE21 GLN 47 1.168 7.566 -12.515 369 2HE2 GLN 47 HE22 GLN 47 0.933 7.890 -14.165 370 H PHE 48 HN PHE 48 1.192 7.019 -8.453 371 HA PHE 48 HA PHE 48 3.970 7.879 -8.927 372 1HB PHE 48 HB2 PHE 48 2.258 8.151 -6.441 373 2HB PHE 48 HB1 PHE 48 3.766 9.002 -6.776 374 HD1 PHE 48 HD1 PHE 48 3.874 10.551 -8.800 375 HD2 PHE 48 HD2 PHE 48 0.186 8.978 -7.257 376 HE1 PHE 48 HE1 PHE 48 2.616 12.321 -9.999 377 HE2 PHE 48 HE2 PHE 48 -1.071 10.747 -8.456 378 HZ PHE 48 HZ PHE 48 0.144 12.419 -9.828 379 H ASP 49 HN ASP 49 2.585 4.998 -7.949 380 HA ASP 49 HA ASP 49 3.304 3.302 -6.396 381 1HB ASP 49 HB2 ASP 49 5.820 3.987 -7.929 382 2HB ASP 49 HB1 ASP 49 5.492 2.457 -7.116 383 HA PRO 50 HA PRO 50 5.331 6.276 -3.422 384 1HB PRO 50 HB2 PRO 50 3.639 5.100 -1.358 385 2HB PRO 50 HB1 PRO 50 3.645 6.766 -1.956 386 1HG PRO 50 HG2 PRO 50 1.645 4.779 -2.458 387 2HG PRO 50 HG1 PRO 50 1.744 6.394 -3.175 388 1HD PRO 50 HD2 PRO 50 2.291 3.823 -4.437 389 2HD PRO 50 HD1 PRO 50 2.239 5.427 -5.197 390 H THR 51 HN THR 51 6.884 5.685 -1.778 391 HA THR 51 HA THR 51 7.988 3.019 -2.061 392 HB THR 51 HB THR 51 9.633 3.769 -0.402 393 HG1 THR 51 HG1 THR 51 8.726 4.993 1.062 394 1HG2 THR 51 HG21 THR 51 8.843 5.861 -2.444 395 2HG2 THR 51 HG22 THR 51 9.976 4.529 -2.675 396 3HG2 THR 51 HG23 THR 51 10.381 5.853 -1.581 397 H ALA 52 HN ALA 52 8.645 1.971 0.300 398 HA ALA 52 HA ALA 52 6.141 1.038 1.375 399 1HB ALA 52 HB1 ALA 52 8.878 0.719 2.624 400 2HB ALA 52 HB2 ALA 52 8.307 -0.276 1.285 401 3HB ALA 52 HB3 ALA 52 7.474 -0.327 2.839 402 H LYS 53 HN LYS 53 8.365 3.560 2.118 403 HA LYS 53 HA LYS 53 7.376 4.045 4.843 404 1HB LYS 53 HB2 LYS 53 9.078 5.919 3.194 405 2HB LYS 53 HB1 LYS 53 9.031 5.735 4.948 406 1HG LYS 53 HG2 LYS 53 9.909 3.402 4.666 407 2HG LYS 53 HG1 LYS 53 10.110 3.738 2.947 408 1HD LYS 53 HD2 LYS 53 11.757 5.398 3.347 409 2HD LYS 53 HD1 LYS 53 11.343 5.517 5.057 410 1HE LYS 53 HE2 LYS 53 12.245 3.324 5.502 411 2HE LYS 53 HE1 LYS 53 12.473 3.014 3.780 412 1HZ LYS 53 HZ1 LYS 53 13.802 5.223 5.248 413 2HZ LYS 53 HZ2 LYS 53 14.122 4.701 3.663 414 3HZ LYS 53 HZ3 LYS 53 14.516 3.708 4.985 415 H ASP 54 HN ASP 54 6.930 5.336 1.593 416 HA ASP 54 HA ASP 54 5.074 7.501 2.492 417 1HB ASP 54 HB2 ASP 54 6.601 7.446 0.278 418 2HB ASP 54 HB1 ASP 54 5.282 6.471 -0.339 419 H LEU 55 HN LEU 55 4.962 4.164 1.578 420 HA LEU 55 HA LEU 55 2.132 4.172 1.012 421 1HB LEU 55 HB2 LEU 55 4.149 2.108 1.761 422 2HB LEU 55 HB1 LEU 55 2.483 1.702 2.149 423 HG LEU 55 HG LEU 55 3.196 2.744 -0.598 424 1HD1 LEU 55 HD11 LEU 55 4.684 0.901 -0.442 425 2HD1 LEU 55 HD12 LEU 55 3.255 0.251 -1.244 426 3HD1 LEU 55 HD13 LEU 55 3.525 -0.064 0.471 427 1HD2 LEU 55 HD21 LEU 55 1.211 1.321 -1.196 428 2HD2 LEU 55 HD22 LEU 55 0.818 2.610 -0.062 429 3HD2 LEU 55 HD23 LEU 55 1.006 0.956 0.515 430 H GLN 56 HN GLN 56 4.054 3.921 3.990 431 HA GLN 56 HA GLN 56 1.956 3.491 5.833 432 1HB GLN 56 HB2 GLN 56 4.482 5.137 6.140 433 2HB GLN 56 HB1 GLN 56 3.439 4.654 7.478 434 1HG GLN 56 HG2 GLN 56 4.691 2.683 5.553 435 2HG GLN 56 HG1 GLN 56 5.425 3.133 7.092 436 1HE2 GLN 56 HE21 GLN 56 3.306 0.912 5.657 437 2HE2 GLN 56 HE22 GLN 56 2.530 0.362 7.063 438 H ASP 57 HN ASP 57 3.470 6.710 5.377 439 HA ASP 57 HA ASP 57 1.546 8.281 6.585 440 1HB ASP 57 HB2 ASP 57 3.561 9.255 5.575 441 2HB ASP 57 HB1 ASP 57 2.930 8.928 3.962 442 H LEU 58 HN LEU 58 1.076 6.677 3.479 443 HA LEU 58 HA LEU 58 -1.520 8.105 3.126 444 1HB LEU 58 HB2 LEU 58 0.105 6.160 1.486 445 2HB LEU 58 HB1 LEU 58 -1.631 6.258 1.195 446 HG LEU 58 HG LEU 58 -1.439 8.682 0.802 447 1HD1 LEU 58 HD11 LEU 58 0.444 9.200 2.245 448 2HD1 LEU 58 HD12 LEU 58 0.865 9.655 0.594 449 3HD1 LEU 58 HD13 LEU 58 1.508 8.168 1.289 450 1HD2 LEU 58 HD21 LEU 58 -1.173 7.102 -1.091 451 2HD2 LEU 58 HD22 LEU 58 0.566 7.060 -0.800 452 3HD2 LEU 58 HD23 LEU 58 -0.204 8.557 -1.326 453 H LEU 59 HN LEU 59 -0.307 5.055 4.347 454 HA LEU 59 HA LEU 59 -3.082 4.024 4.657 455 1HB LEU 59 HB2 LEU 59 -0.312 2.922 4.916 456 2HB LEU 59 HB1 LEU 59 -1.506 2.252 6.023 457 HG LEU 59 HG LEU 59 -1.322 0.932 3.949 458 1HD1 LEU 59 HD11 LEU 59 -3.558 0.474 3.859 459 2HD1 LEU 59 HD12 LEU 59 -4.019 2.156 3.625 460 3HD1 LEU 59 HD13 LEU 59 -3.619 1.568 5.238 461 1HD2 LEU 59 HD21 LEU 59 -0.727 2.933 2.510 462 2HD2 LEU 59 HD22 LEU 59 -2.436 3.363 2.518 463 3HD2 LEU 59 HD23 LEU 59 -1.913 1.842 1.798 464 H GLN 60 HN GLN 60 -0.772 5.913 6.316 465 HA GLN 60 HA GLN 60 -1.875 5.297 8.989 466 1HB GLN 60 HB2 GLN 60 0.594 5.677 8.451 467 2HB GLN 60 HB1 GLN 60 0.193 7.389 8.308 468 1HG GLN 60 HG2 GLN 60 -0.723 7.368 10.600 469 2HG GLN 60 HG1 GLN 60 -0.330 5.654 10.743 470 1HE2 GLN 60 HE21 GLN 60 1.412 8.660 9.717 471 2HE2 GLN 60 HE22 GLN 60 2.827 8.301 10.583 472 H TYR 61 HN TYR 61 -2.001 7.817 6.521 473 HA TYR 61 HA TYR 61 -3.562 9.603 8.353 474 1HB TYR 61 HB2 TYR 61 -1.511 10.540 7.271 475 2HB TYR 61 HB1 TYR 61 -2.264 10.271 5.699 476 HD1 TYR 61 HD1 TYR 61 -4.242 11.559 5.006 477 HD2 TYR 61 HD2 TYR 61 -2.310 12.277 8.775 478 HE1 TYR 61 HE1 TYR 61 -5.465 13.706 5.224 479 HE2 TYR 61 HE2 TYR 61 -3.533 14.424 8.993 480 HH TYR 61 HH TYR 61 -6.186 15.231 7.067 481 H LEU 62 HN LEU 62 -3.556 8.592 4.886 482 HA LEU 62 HA LEU 62 -6.267 9.514 4.483 483 1HB LEU 62 HB2 LEU 62 -4.239 8.549 2.818 484 2HB LEU 62 HB1 LEU 62 -5.394 7.221 2.799 485 HG LEU 62 HG LEU 62 -7.174 9.077 2.342 486 1HD1 LEU 62 HD11 LEU 62 -6.222 11.023 1.103 487 2HD1 LEU 62 HD12 LEU 62 -4.604 10.486 1.551 488 3HD1 LEU 62 HD13 LEU 62 -5.735 11.010 2.797 489 1HD2 LEU 62 HD21 LEU 62 -6.518 9.051 -0.134 490 2HD2 LEU 62 HD22 LEU 62 -6.689 7.475 0.638 491 3HD2 LEU 62 HD23 LEU 62 -5.084 8.151 0.359 492 H CYS 63 HN CYS 63 -4.966 6.561 5.775 493 HA CYS 63 HA CYS 63 -7.772 5.530 6.019 494 1HB CYS 63 HB2 CYS 63 -5.265 3.956 6.605 495 2HB CYS 63 HB1 CYS 63 -6.879 3.360 6.224 496 HG CYS 63 HG CYS 63 -4.876 3.685 4.162 497 H SER 64 HN SER 64 -6.366 3.823 8.293 498 HA SER 64 HA SER 64 -5.764 5.828 10.304 499 1HB SER 64 HB2 SER 64 -7.677 5.408 11.769 500 2HB SER 64 HB1 SER 64 -8.251 5.978 10.204 501 HG SER 64 HG SER 64 -7.995 3.243 10.922 502 H SER 65 HN SER 65 -5.643 4.687 12.547 503 HA SER 65 HA SER 65 -3.692 2.765 12.585 504 1HB SER 65 HB2 SER 65 -4.438 2.152 14.843 505 2HB SER 65 HB1 SER 65 -4.544 3.894 14.607 506 HG SER 65 HG SER 65 -6.713 3.745 14.441 507 H LEU 66 HN LEU 66 -7.116 1.761 13.204 508 HA LEU 66 HA LEU 66 -6.778 -0.953 12.989 509 1HB LEU 66 HB2 LEU 66 -8.907 0.198 13.532 510 2HB LEU 66 HB1 LEU 66 -9.080 0.650 11.839 511 HG LEU 66 HG LEU 66 -9.096 -1.767 11.224 512 1HD1 LEU 66 HD11 LEU 66 -8.730 -2.045 14.201 513 2HD1 LEU 66 HD12 LEU 66 -7.958 -2.943 12.894 514 3HD1 LEU 66 HD13 LEU 66 -9.631 -3.283 13.324 515 1HD2 LEU 66 HD21 LEU 66 -11.355 -2.230 12.165 516 2HD2 LEU 66 HD22 LEU 66 -11.209 -0.578 11.568 517 3HD2 LEU 66 HD23 LEU 66 -11.133 -0.899 13.301 518 H VAL 67 HN VAL 67 -8.196 0.726 10.206 519 HA VAL 67 HA VAL 67 -8.040 -1.019 8.258 520 HB VAL 67 HB VAL 67 -6.804 1.701 7.817 521 1HG1 VAL 67 HG11 VAL 67 -8.011 1.400 5.582 522 2HG1 VAL 67 HG12 VAL 67 -8.205 -0.295 6.030 523 3HG1 VAL 67 HG13 VAL 67 -6.590 0.386 5.834 524 1HG2 VAL 67 HG21 VAL 67 -8.883 1.978 9.029 525 2HG2 VAL 67 HG22 VAL 67 -9.695 0.807 7.990 526 3HG2 VAL 67 HG23 VAL 67 -9.191 2.366 7.336 527 H ALA 68 HN ALA 68 -5.072 0.886 8.976 528 HA ALA 68 HA ALA 68 -3.261 -0.393 7.258 529 1HB ALA 68 HB1 ALA 68 -2.830 1.549 8.900 530 2HB ALA 68 HB2 ALA 68 -1.518 0.398 8.652 531 3HB ALA 68 HB3 ALA 68 -2.516 0.297 10.104 532 H SER 69 HN SER 69 -4.529 -1.498 10.369 533 HA SER 69 HA SER 69 -2.910 -3.837 10.783 534 1HB SER 69 HB2 SER 69 -5.828 -3.559 11.483 535 2HB SER 69 HB1 SER 69 -4.579 -4.489 12.292 536 HG SER 69 HG SER 69 -4.586 -1.664 12.017 537 H LEU 70 HN LEU 70 -6.329 -3.842 9.873 538 HA LEU 70 HA LEU 70 -6.831 -6.214 8.807 539 1HB LEU 70 HB2 LEU 70 -7.672 -3.659 7.468 540 2HB LEU 70 HB1 LEU 70 -8.529 -5.193 7.496 541 HG LEU 70 HG LEU 70 -8.010 -3.338 9.837 542 1HD1 LEU 70 HD11 LEU 70 -10.484 -3.316 9.937 543 2HD1 LEU 70 HD12 LEU 70 -10.540 -4.358 8.516 544 3HD1 LEU 70 HD13 LEU 70 -9.889 -2.724 8.385 545 1HD2 LEU 70 HD21 LEU 70 -8.979 -6.201 9.741 546 2HD2 LEU 70 HD22 LEU 70 -9.471 -5.121 11.046 547 3HD2 LEU 70 HD23 LEU 70 -7.765 -5.490 10.805 548 H HIS 71 HN HIS 71 -6.282 -3.653 6.424 549 HA HIS 71 HA HIS 71 -6.077 -5.293 4.367 550 1HB HIS 71 HB2 HIS 71 -6.241 -2.998 3.819 551 2HB HIS 71 HB1 HIS 71 -4.815 -2.581 4.758 552 HD1 HIS 71 HD1 HIS 71 -2.546 -3.987 3.680 553 HD2 HIS 71 HD2 HIS 71 -5.653 -2.867 1.148 554 HE1 HIS 71 HE1 HIS 71 -1.588 -3.979 1.336 555 H HIS 72 HN HIS 72 -3.182 -4.056 6.132 556 HA HIS 72 HA HIS 72 -1.437 -5.623 4.503 557 1HB HIS 72 HB2 HIS 72 -0.481 -3.696 5.674 558 2HB HIS 72 HB1 HIS 72 -0.955 -4.359 7.236 559 HD1 HIS 72 HD1 HIS 72 0.171 -6.921 7.627 560 HD2 HIS 72 HD2 HIS 72 2.154 -4.247 5.119 561 HE1 HIS 72 HE1 HIS 72 2.564 -7.732 7.462 562 H GLN 73 HN GLN 73 -3.566 -6.449 6.946 563 HA GLN 73 HA GLN 73 -2.274 -8.681 8.173 564 1HB GLN 73 HB2 GLN 73 -4.678 -7.670 8.611 565 2HB GLN 73 HB1 GLN 73 -5.187 -8.803 7.359 566 1HG GLN 73 HG2 GLN 73 -3.663 -9.551 9.873 567 2HG GLN 73 HG1 GLN 73 -5.393 -9.788 9.624 568 1HE2 GLN 73 HE21 GLN 73 -5.918 -11.116 7.525 569 2HE2 GLN 73 HE22 GLN 73 -4.893 -12.427 7.191 570 H GLN 74 HN GLN 74 -4.533 -8.645 5.374 571 HA GLN 74 HA GLN 74 -4.124 -11.181 4.408 572 1HB GLN 74 HB2 GLN 74 -5.488 -9.189 3.401 573 2HB GLN 74 HB1 GLN 74 -4.052 -8.899 2.421 574 1HG GLN 74 HG2 GLN 74 -4.143 -11.252 1.625 575 2HG GLN 74 HG1 GLN 74 -5.609 -11.501 2.573 576 1HE2 GLN 74 HE21 GLN 74 -4.533 -10.666 -0.513 577 2HE2 GLN 74 HE22 GLN 74 -5.937 -9.894 -1.074 578 H LEU 75 HN LEU 75 -2.341 -8.321 3.065 579 HA LEU 75 HA LEU 75 -0.092 -9.297 1.793 580 1HB LEU 75 HB2 LEU 75 -0.832 -6.888 2.656 581 2HB LEU 75 HB1 LEU 75 0.325 -7.250 3.933 582 HG LEU 75 HG LEU 75 0.882 -7.307 0.943 583 1HD1 LEU 75 HD11 LEU 75 2.323 -5.376 1.436 584 2HD1 LEU 75 HD12 LEU 75 1.861 -5.450 3.135 585 3HD1 LEU 75 HD13 LEU 75 0.659 -5.036 1.913 586 1HD2 LEU 75 HD21 LEU 75 3.279 -7.562 1.804 587 2HD2 LEU 75 HD22 LEU 75 2.246 -8.980 1.979 588 3HD2 LEU 75 HD23 LEU 75 2.574 -7.952 3.373 589 H ASP 76 HN ASP 76 -0.133 -8.792 5.326 590 HA ASP 76 HA ASP 76 2.156 -9.744 6.324 591 1HB ASP 76 HB2 ASP 76 -0.206 -9.457 7.429 592 2HB ASP 76 HB1 ASP 76 -0.277 -11.210 7.302 593 H SER 77 HN SER 77 -0.370 -12.192 5.830 594 HA SER 77 HA SER 77 1.576 -14.315 5.445 595 1HB SER 77 HB2 SER 77 -1.441 -14.202 5.290 596 2HB SER 77 HB1 SER 77 -0.501 -15.681 5.072 597 HG SER 77 HG SER 77 -1.258 -15.274 7.261 598 H LEU 78 HN LEU 78 -0.490 -12.317 3.328 599 HA LEU 78 HA LEU 78 -0.587 -13.943 1.116 600 1HB LEU 78 HB2 LEU 78 -1.213 -11.313 1.537 601 2HB LEU 78 HB1 LEU 78 0.168 -11.123 0.457 602 HG LEU 78 HG LEU 78 -2.170 -12.944 -0.112 603 1HD1 LEU 78 HD11 LEU 78 -3.092 -11.241 -1.524 604 2HD1 LEU 78 HD12 LEU 78 -1.638 -10.253 -1.407 605 3HD1 LEU 78 HD13 LEU 78 -2.704 -10.420 -0.014 606 1HD2 LEU 78 HD21 LEU 78 -0.171 -13.598 -1.294 607 2HD2 LEU 78 HD22 LEU 78 0.169 -11.929 -1.750 608 3HD2 LEU 78 HD23 LEU 78 -1.214 -12.770 -2.449 609 H ILE 79 HN ILE 79 2.051 -11.581 1.862 610 HA ILE 79 HA ILE 79 3.880 -12.345 -0.101 611 HB ILE 79 HB ILE 79 3.899 -11.080 2.600 612 1HG1 ILE 79 HG12 ILE 79 3.880 -9.751 0.533 613 2HG1 ILE 79 HG11 ILE 79 5.342 -9.432 1.457 614 1HG2 ILE 79 HG21 ILE 79 6.366 -12.480 1.546 615 2HG2 ILE 79 HG22 ILE 79 5.633 -12.613 3.145 616 3HG2 ILE 79 HG23 ILE 79 6.449 -11.124 2.672 617 1HD1 ILE 79 HD11 ILE 79 6.443 -9.826 -0.483 618 2HD1 ILE 79 HD12 ILE 79 5.031 -10.576 -1.221 619 3HD1 ILE 79 HD13 ILE 79 6.103 -11.534 -0.206 620 H SER 80 HN SER 80 3.536 -13.627 3.244 621 HA SER 80 HA SER 80 5.417 -15.677 3.083 622 1HB SER 80 HB2 SER 80 2.686 -16.137 4.294 623 2HB SER 80 HB1 SER 80 4.230 -16.809 4.808 624 HG SER 80 HG SER 80 3.800 -14.022 4.738 625 H GLU 81 HN GLU 81 1.954 -15.959 2.055 626 HA GLU 81 HA GLU 81 2.452 -18.597 0.962 627 1HB GLU 81 HB2 GLU 81 0.262 -17.697 1.890 628 2HB GLU 81 HB1 GLU 81 0.103 -16.794 0.384 629 1HG GLU 81 HG2 GLU 81 -1.088 -18.840 0.056 630 2HG GLU 81 HG1 GLU 81 0.426 -19.010 -0.831 631 H ALA 82 HN ALA 82 2.447 -15.321 -0.439 632 HA ALA 82 HA ALA 82 2.045 -16.259 -3.048 633 1HB ALA 82 HB1 ALA 82 1.662 -13.953 -2.756 634 2HB ALA 82 HB2 ALA 82 3.124 -13.985 -3.745 635 3HB ALA 82 HB3 ALA 82 3.239 -13.694 -2.009 636 H GLU 83 HN GLU 83 4.932 -15.696 -1.133 637 HA GLU 83 HA GLU 83 6.806 -16.095 -3.310 638 1HB GLU 83 HB2 GLU 83 8.556 -15.994 -1.608 639 2HB GLU 83 HB1 GLU 83 7.364 -14.738 -1.273 640 1HG GLU 83 HG2 GLU 83 6.238 -16.383 0.299 641 2HG GLU 83 HG1 GLU 83 7.651 -17.419 0.103 642 H THR 84 HN THR 84 5.294 -18.167 -0.893 643 HA THR 84 HA THR 84 7.037 -20.407 -1.155 644 HB THR 84 HB THR 84 4.185 -21.145 -0.980 645 HG1 THR 84 HG1 THR 84 4.941 -19.548 1.144 646 1HG2 THR 84 HG21 THR 84 4.863 -22.235 1.010 647 2HG2 THR 84 HG22 THR 84 6.227 -21.142 1.245 648 3HG2 THR 84 HG23 THR 84 6.272 -22.343 -0.046 649 H ARG 85 HN ARG 85 4.117 -19.473 -2.964 650 HA ARG 85 HA ARG 85 3.767 -21.456 -4.785 651 1HB ARG 85 HB2 ARG 85 2.373 -19.538 -4.917 652 2HB ARG 85 HB1 ARG 85 3.730 -18.468 -5.224 653 1HG ARG 85 HG2 ARG 85 3.065 -20.715 -7.137 654 2HG ARG 85 HG1 ARG 85 2.210 -19.182 -7.231 655 1HD ARG 85 HD2 ARG 85 4.883 -18.364 -7.156 656 2HD ARG 85 HD1 ARG 85 4.952 -19.838 -8.115 657 HE ARG 85 HE ARG 85 2.799 -18.441 -9.176 658 1HH1 ARG 85 HH21 ARG 85 6.120 -17.828 -8.493 659 2HH1 ARG 85 HH22 ARG 85 6.327 -16.726 -9.813 660 1HH2 ARG 85 HH11 ARG 85 3.050 -17.009 -10.909 661 2HH2 ARG 85 HH12 ARG 85 4.589 -16.262 -11.181 662 H GLY 86 HN GLY 86 6.369 -18.963 -5.028 663 1HA GLY 86 HA2 GLY 86 8.531 -19.918 -5.944 664 2HA GLY 86 HA1 GLY 86 7.565 -20.604 -7.249 665 H ILE 87 HN ILE 87 7.797 -17.378 -5.694 666 HA ILE 87 HA ILE 87 7.141 -15.852 -8.009 667 HB ILE 87 HB ILE 87 8.701 -15.309 -5.479 668 1HG1 ILE 87 HG12 ILE 87 6.146 -14.068 -6.532 669 2HG1 ILE 87 HG11 ILE 87 6.175 -15.503 -5.509 670 1HG2 ILE 87 HG21 ILE 87 8.571 -12.839 -6.196 671 2HG2 ILE 87 HG22 ILE 87 8.332 -13.454 -7.831 672 3HG2 ILE 87 HG23 ILE 87 9.813 -13.833 -6.951 673 1HD1 ILE 87 HD11 ILE 87 6.967 -12.681 -4.825 674 2HD1 ILE 87 HD12 ILE 87 7.627 -14.024 -3.902 675 3HD1 ILE 87 HD13 ILE 87 5.885 -13.762 -3.954 676 H THR 88 HN THR 88 10.146 -16.862 -6.673 677 HA THR 88 HA THR 88 11.605 -17.324 -9.089 678 HB THR 88 HB THR 88 11.373 -14.829 -9.332 679 HG1 THR 88 HG1 THR 88 13.081 -15.698 -10.354 680 1HG2 THR 88 HG21 THR 88 13.460 -14.232 -7.366 681 2HG2 THR 88 HG22 THR 88 11.946 -14.734 -6.616 682 3HG2 THR 88 HG23 THR 88 11.976 -13.349 -7.707 683 H SER 89 HN SER 89 11.655 -18.834 -6.886 684 HA SER 89 HA SER 89 13.035 -19.628 -5.101 685 1HB SER 89 HB2 SER 89 15.228 -18.436 -6.816 686 2HB SER 89 HB1 SER 89 15.346 -19.815 -5.725 687 HG SER 89 HG SER 89 15.080 -20.320 -8.013 688 H TYR 90 HN TYR 90 12.286 -16.562 -5.343 689 HA TYR 90 HA TYR 90 12.725 -14.570 -4.268 690 1HB TYR 90 HB2 TYR 90 13.195 -14.870 -1.792 691 2HB TYR 90 HB1 TYR 90 11.762 -15.683 -2.425 692 HD1 TYR 90 HD1 TYR 90 11.669 -18.100 -2.634 693 HD2 TYR 90 HD2 TYR 90 15.209 -16.144 -1.188 694 HE1 TYR 90 HE1 TYR 90 12.551 -20.280 -1.847 695 HE2 TYR 90 HE2 TYR 90 16.092 -18.324 -0.401 696 HH TYR 90 HH TYR 90 15.242 -21.115 -1.391 697 H ASN 91 HN ASN 91 14.219 -13.020 -3.927 698 HA ASN 91 HA ASN 91 17.092 -13.798 -3.570 699 1HB ASN 91 HB2 ASN 91 15.858 -12.515 -5.928 700 2HB ASN 91 HB1 ASN 91 17.381 -11.817 -5.352 701 1HD2 ASN 91 HD21 ASN 91 19.295 -12.985 -5.764 702 2HD2 ASN 91 HD22 ASN 91 19.328 -14.503 -6.521 703 HA PRO 92 HA PRO 92 16.832 -9.276 -2.055 704 1HB PRO 92 HB2 PRO 92 14.694 -7.676 -2.700 705 2HB PRO 92 HB1 PRO 92 16.118 -7.831 -3.743 706 1HG PRO 92 HG2 PRO 92 13.424 -9.124 -4.029 707 2HG PRO 92 HG1 PRO 92 14.498 -8.496 -5.291 708 1HD PRO 92 HD2 PRO 92 14.272 -11.195 -4.687 709 2HD PRO 92 HD1 PRO 92 15.709 -10.418 -5.388 710 H LEU 93 HN LEU 93 13.638 -10.831 -2.184 711 HA LEU 93 HA LEU 93 12.511 -9.581 0.083 712 1HB LEU 93 HB2 LEU 93 12.169 -12.553 -0.268 713 2HB LEU 93 HB1 LEU 93 10.981 -11.345 0.222 714 HG LEU 93 HG LEU 93 11.584 -10.397 -2.272 715 1HD1 LEU 93 HD11 LEU 93 13.106 -12.513 -2.469 716 2HD1 LEU 93 HD12 LEU 93 12.043 -12.102 -3.820 717 3HD1 LEU 93 HD13 LEU 93 11.584 -13.378 -2.693 718 1HD2 LEU 93 HD21 LEU 93 9.316 -10.738 -1.655 719 2HD2 LEU 93 HD22 LEU 93 9.554 -12.465 -1.395 720 3HD2 LEU 93 HD23 LEU 93 9.555 -11.812 -3.032 721 H ALA 94 HN ALA 94 14.386 -12.512 -0.083 722 HA ALA 94 HA ALA 94 15.053 -13.651 2.129 723 1HB ALA 94 HB1 ALA 94 16.625 -13.267 0.113 724 2HB ALA 94 HB2 ALA 94 17.357 -13.644 1.677 725 3HB ALA 94 HB3 ALA 94 17.333 -11.979 1.091 726 H GLY 95 HN GLY 95 16.213 -10.296 1.818 727 1HA GLY 95 HA2 GLY 95 16.774 -9.963 4.646 728 2HA GLY 95 HA1 GLY 95 16.652 -8.658 3.456 729 HA PRO 96 HA PRO 96 12.911 -8.541 6.011 730 1HB PRO 96 HB2 PRO 96 12.899 -5.648 6.172 731 2HB PRO 96 HB1 PRO 96 13.326 -6.784 7.462 732 1HG PRO 96 HG2 PRO 96 15.125 -5.103 5.899 733 2HG PRO 96 HG1 PRO 96 15.528 -6.159 7.257 734 1HD PRO 96 HD2 PRO 96 16.038 -6.628 4.428 735 2HD PRO 96 HD1 PRO 96 16.502 -7.646 5.802 736 H LEU 97 HN LEU 97 10.681 -7.085 5.249 737 HA LEU 97 HA LEU 97 10.689 -7.269 2.338 738 1HB LEU 97 HB2 LEU 97 8.487 -6.029 4.007 739 2HB LEU 97 HB1 LEU 97 8.339 -6.871 2.466 740 HG LEU 97 HG LEU 97 9.122 -8.124 5.114 741 1HD1 LEU 97 HD11 LEU 97 6.740 -7.617 5.000 742 2HD1 LEU 97 HD12 LEU 97 6.968 -9.354 4.796 743 3HD1 LEU 97 HD13 LEU 97 6.633 -8.338 3.394 744 1HD2 LEU 97 HD21 LEU 97 8.929 -9.207 2.295 745 2HD2 LEU 97 HD22 LEU 97 8.832 -10.258 3.709 746 3HD2 LEU 97 HD23 LEU 97 10.291 -9.314 3.410 747 H ARG 98 HN ARG 98 9.949 -4.486 4.521 748 HA ARG 98 HA ARG 98 9.759 -2.395 2.791 749 1HB ARG 98 HB2 ARG 98 11.168 -2.649 5.424 750 2HB ARG 98 HB1 ARG 98 11.364 -1.138 4.535 751 1HG ARG 98 HG2 ARG 98 9.031 -0.689 4.558 752 2HG ARG 98 HG1 ARG 98 8.636 -2.344 5.028 753 1HD ARG 98 HD2 ARG 98 10.146 -0.356 6.752 754 2HD ARG 98 HD1 ARG 98 8.446 -0.783 6.945 755 HE ARG 98 HE ARG 98 9.755 -3.222 7.060 756 1HH1 ARG 98 HH21 ARG 98 10.015 -0.166 8.632 757 2HH1 ARG 98 HH22 ARG 98 10.588 -0.832 10.124 758 1HH2 ARG 98 HH11 ARG 98 10.502 -4.111 9.000 759 2HH2 ARG 98 HH12 ARG 98 10.864 -3.065 10.333 760 H VAL 99 HN VAL 99 12.509 -4.323 3.343 761 HA VAL 99 HA VAL 99 14.519 -2.643 1.998 762 HB VAL 99 HB VAL 99 14.461 -5.293 3.377 763 1HG1 VAL 99 HG11 VAL 99 15.375 -6.118 1.312 764 2HG1 VAL 99 HG12 VAL 99 16.760 -5.825 2.365 765 3HG1 VAL 99 HG13 VAL 99 16.364 -4.675 1.090 766 1HG2 VAL 99 HG21 VAL 99 15.320 -3.265 4.478 767 2HG2 VAL 99 HG22 VAL 99 16.488 -3.030 3.179 768 3HG2 VAL 99 HG23 VAL 99 16.634 -4.418 4.249 769 H GLN 100 HN GLN 100 12.707 -5.585 1.205 770 HA GLN 100 HA GLN 100 13.836 -6.081 -1.285 771 1HB GLN 100 HB2 GLN 100 12.123 -7.598 -1.616 772 2HB GLN 100 HB1 GLN 100 11.992 -7.341 0.119 773 1HG GLN 100 HG2 GLN 100 10.239 -5.582 -0.361 774 2HG GLN 100 HG1 GLN 100 10.279 -6.097 -2.046 775 1HE2 GLN 100 HE21 GLN 100 9.390 -8.187 -2.573 776 2HE2 GLN 100 HE22 GLN 100 8.492 -9.092 -1.452 777 H ALA 101 HN ALA 101 10.913 -4.005 -0.760 778 HA ALA 101 HA ALA 101 11.070 -3.253 -3.610 779 1HB ALA 101 HB1 ALA 101 9.019 -1.842 -2.976 780 2HB ALA 101 HB2 ALA 101 9.128 -2.596 -1.386 781 3HB ALA 101 HB3 ALA 101 8.845 -3.589 -2.816 782 H ASN 102 HN ASN 102 11.672 -1.590 -0.507 783 HA ASN 102 HA ASN 102 11.949 0.998 -1.738 784 1HB ASN 102 HB2 ASN 102 12.755 1.758 0.330 785 2HB ASN 102 HB1 ASN 102 11.761 0.383 0.791 786 1HD2 ASN 102 HD21 ASN 102 14.127 -1.333 -0.472 787 2HD2 ASN 102 HD22 ASN 102 15.238 -1.403 0.809 788 H ASN 103 HN ASN 103 13.339 -1.111 -3.226 789 HA ASN 103 HA ASN 103 16.157 -0.097 -3.096 790 1HB ASN 103 HB2 ASN 103 15.061 -2.851 -3.649 791 2HB ASN 103 HB1 ASN 103 16.706 -2.384 -4.085 792 1HD2 ASN 103 HD21 ASN 103 16.653 -4.379 -2.258 793 2HD2 ASN 103 HD22 ASN 103 16.977 -3.815 -0.690 794 HA PRO 104 HA PRO 104 14.500 1.118 -7.270 795 1HB PRO 104 HB2 PRO 104 16.984 2.659 -7.502 796 2HB PRO 104 HB1 PRO 104 15.314 3.245 -7.500 797 1HG PRO 104 HG2 PRO 104 17.174 3.586 -5.401 798 2HG PRO 104 HG1 PRO 104 15.425 3.835 -5.283 799 1HD PRO 104 HD2 PRO 104 17.048 1.649 -4.180 800 2HD PRO 104 HD1 PRO 104 15.359 2.067 -3.813 801 H GLN 105 HN GLN 105 17.583 -0.227 -6.241 802 HA GLN 105 HA GLN 105 18.477 -0.870 -8.926 803 1HB GLN 105 HB2 GLN 105 20.007 -2.486 -7.673 804 2HB GLN 105 HB1 GLN 105 20.158 -0.789 -7.213 805 1HG GLN 105 HG2 GLN 105 18.802 -1.125 -5.247 806 2HG GLN 105 HG1 GLN 105 18.381 -2.761 -5.754 807 1HE2 GLN 105 HE21 GLN 105 21.020 -0.757 -4.471 808 2HE2 GLN 105 HE22 GLN 105 22.008 -2.055 -4.002 809 H GLN 106 HN GLN 106 16.046 -2.086 -6.919 810 HA GLN 106 HA GLN 106 15.597 -4.371 -8.748 811 1HB GLN 106 HB2 GLN 106 15.927 -4.661 -5.745 812 2HB GLN 106 HB1 GLN 106 15.237 -5.906 -6.787 813 1HG GLN 106 HG2 GLN 106 17.365 -5.834 -8.143 814 2HG GLN 106 HG1 GLN 106 18.044 -4.773 -6.908 815 1HE2 GLN 106 HE21 GLN 106 18.597 -5.705 -4.842 816 2HE2 GLN 106 HE22 GLN 106 18.567 -7.380 -4.568 817 H GLN 107 HN GLN 107 13.927 -2.629 -9.202 818 HA GLN 107 HA GLN 107 11.834 -2.264 -7.180 819 1HB GLN 107 HB2 GLN 107 10.711 -0.948 -8.971 820 2HB GLN 107 HB1 GLN 107 12.369 -0.418 -8.689 821 1HG GLN 107 HG2 GLN 107 13.121 -1.816 -10.599 822 2HG GLN 107 HG1 GLN 107 11.445 -2.273 -10.903 823 1HE2 GLN 107 HE21 GLN 107 13.408 0.733 -10.486 824 2HE2 GLN 107 HE22 GLN 107 12.566 1.617 -11.665 825 H GLY 108 HN GLY 108 12.544 -4.777 -9.278 826 1HA GLY 108 HA2 GLY 108 10.202 -5.527 -10.572 827 2HA GLY 108 HA1 GLY 108 11.251 -6.692 -9.774 828 H LEU 109 HN LEU 109 10.969 -6.779 -7.394 829 HA LEU 109 HA LEU 109 8.378 -7.630 -6.569 830 1HB LEU 109 HB2 LEU 109 10.648 -6.468 -4.944 831 2HB LEU 109 HB1 LEU 109 9.167 -7.083 -4.218 832 HG LEU 109 HG LEU 109 11.196 -8.674 -4.382 833 1HD1 LEU 109 HD11 LEU 109 9.650 -10.620 -5.026 834 2HD1 LEU 109 HD12 LEU 109 8.400 -9.404 -5.246 835 3HD1 LEU 109 HD13 LEU 109 9.156 -9.606 -3.676 836 1HD2 LEU 109 HD21 LEU 109 10.181 -8.965 -7.227 837 2HD2 LEU 109 HD22 LEU 109 11.456 -9.904 -6.459 838 3HD2 LEU 109 HD23 LEU 109 11.701 -8.191 -6.776 839 H ARG 110 HN ARG 110 9.774 -4.357 -6.043 840 HA ARG 110 HA ARG 110 7.652 -3.133 -4.779 841 1HB ARG 110 HB2 ARG 110 9.740 -1.963 -5.602 842 2HB ARG 110 HB1 ARG 110 8.979 -1.863 -7.187 843 1HG ARG 110 HG2 ARG 110 7.103 -0.605 -6.245 844 2HG ARG 110 HG1 ARG 110 7.808 -0.732 -4.634 845 1HD ARG 110 HD2 ARG 110 9.054 0.665 -7.020 846 2HD ARG 110 HD1 ARG 110 8.348 1.452 -5.608 847 HE ARG 110 HE ARG 110 10.289 -0.209 -4.535 848 1HH1 ARG 110 HH21 ARG 110 10.148 2.215 -6.985 849 2HH1 ARG 110 HH22 ARG 110 11.781 2.739 -6.746 850 1HH2 ARG 110 HH11 ARG 110 12.424 0.465 -4.210 851 2HH2 ARG 110 HH12 ARG 110 13.069 1.750 -5.177 852 H ARG 111 HN ARG 111 7.670 -4.099 -8.190 853 HA ARG 111 HA ARG 111 4.934 -2.992 -8.557 854 1HB ARG 111 HB2 ARG 111 6.523 -4.757 -10.456 855 2HB ARG 111 HB1 ARG 111 5.116 -3.777 -10.852 856 1HG ARG 111 HG2 ARG 111 6.407 -1.932 -11.228 857 2HG ARG 111 HG1 ARG 111 7.207 -2.101 -9.669 858 1HD ARG 111 HD2 ARG 111 8.804 -2.248 -11.570 859 2HD ARG 111 HD1 ARG 111 8.770 -3.722 -10.608 860 HE ARG 111 HE ARG 111 6.924 -4.202 -12.618 861 1HH1 ARG 111 HH21 ARG 111 10.217 -3.198 -12.422 862 2HH1 ARG 111 HH22 ARG 111 10.669 -3.930 -13.925 863 1HH2 ARG 111 HH11 ARG 111 7.497 -5.167 -14.583 864 2HH2 ARG 111 HH12 ARG 111 9.130 -5.045 -15.148 865 H GLU 112 HN GLU 112 6.496 -6.116 -7.997 866 HA GLU 112 HA GLU 112 4.192 -7.735 -8.478 867 1HB GLU 112 HB2 GLU 112 6.568 -8.523 -7.875 868 2HB GLU 112 HB1 GLU 112 6.138 -8.175 -6.199 869 1HG GLU 112 HG2 GLU 112 4.085 -9.650 -6.563 870 2HG GLU 112 HG1 GLU 112 4.850 -10.174 -8.064 871 H TYR 113 HN TYR 113 5.194 -5.714 -5.871 872 HA TYR 113 HA TYR 113 3.190 -6.412 -3.925 873 1HB TYR 113 HB2 TYR 113 4.955 -4.032 -4.398 874 2HB TYR 113 HB1 TYR 113 3.540 -3.769 -3.378 875 HD1 TYR 113 HD1 TYR 113 5.588 -6.863 -3.750 876 HD2 TYR 113 HD2 TYR 113 4.449 -3.606 -1.191 877 HE1 TYR 113 HE1 TYR 113 6.741 -7.952 -1.850 878 HE2 TYR 113 HE2 TYR 113 5.609 -4.696 0.711 879 HH TYR 113 HH TYR 113 6.283 -7.035 1.353 880 H GLN 114 HN GLN 114 3.255 -3.568 -6.077 881 HA GLN 114 HA GLN 114 0.723 -2.582 -5.914 882 1HB GLN 114 HB2 GLN 114 2.503 -1.857 -7.542 883 2HB GLN 114 HB1 GLN 114 2.028 -3.200 -8.579 884 1HG GLN 114 HG2 GLN 114 -0.337 -2.249 -8.521 885 2HG GLN 114 HG1 GLN 114 0.355 -0.815 -7.766 886 1HE2 GLN 114 HE21 GLN 114 2.543 -0.129 -9.093 887 2HE2 GLN 114 HE22 GLN 114 2.305 -0.022 -10.771 888 H GLN 115 HN GLN 115 1.543 -5.727 -7.233 889 HA GLN 115 HA GLN 115 -1.162 -6.136 -8.341 890 1HB GLN 115 HB2 GLN 115 1.204 -8.015 -8.074 891 2HB GLN 115 HB1 GLN 115 -0.299 -8.393 -8.915 892 1HG GLN 115 HG2 GLN 115 0.088 -6.424 -10.404 893 2HG GLN 115 HG1 GLN 115 1.647 -6.177 -9.616 894 1HE2 GLN 115 HE21 GLN 115 0.003 -9.204 -10.693 895 2HE2 GLN 115 HE22 GLN 115 1.287 -9.726 -11.672 896 H LEU 116 HN LEU 116 0.816 -7.452 -5.654 897 HA LEU 116 HA LEU 116 -1.479 -9.000 -4.663 898 1HB LEU 116 HB2 LEU 116 1.155 -8.503 -3.253 899 2HB LEU 116 HB1 LEU 116 0.030 -9.835 -2.996 900 HG LEU 116 HG LEU 116 1.563 -9.332 -5.564 901 1HD1 LEU 116 HD11 LEU 116 3.065 -10.042 -3.777 902 2HD1 LEU 116 HD12 LEU 116 2.807 -11.387 -4.890 903 3HD1 LEU 116 HD13 LEU 116 1.967 -11.352 -3.339 904 1HD2 LEU 116 HD21 LEU 116 -0.401 -11.446 -4.658 905 2HD2 LEU 116 HD22 LEU 116 0.758 -11.762 -5.949 906 3HD2 LEU 116 HD23 LEU 116 -0.436 -10.480 -6.134 907 H TRP 117 HN TRP 117 -0.254 -5.837 -4.344 908 HA TRP 117 HA TRP 117 -1.305 -5.388 -1.636 909 1HB TRP 117 HB2 TRP 117 0.733 -4.208 -2.542 910 2HB TRP 117 HB1 TRP 117 -0.335 -3.339 -3.646 911 HD1 TRP 117 HD1 TRP 117 -2.416 -1.968 -2.379 912 HE1 TRP 117 HE1 TRP 117 -2.318 -0.605 -0.193 913 HE3 TRP 117 HE3 TRP 117 1.842 -3.900 -0.324 914 HZ2 TRP 117 HZ2 TRP 117 -0.653 -0.366 2.120 915 HZ3 TRP 117 HZ3 TRP 117 2.660 -3.086 1.869 916 HH2 TRP 117 HH2 TRP 117 1.419 -1.323 3.093 917 H LEU 118 HN LEU 118 -2.222 -4.547 -5.008 918 HA LEU 118 HA LEU 118 -4.608 -3.080 -4.162 919 1HB LEU 118 HB2 LEU 118 -3.823 -4.260 -6.841 920 2HB LEU 118 HB1 LEU 118 -5.196 -3.188 -6.559 921 HG LEU 118 HG LEU 118 -2.324 -2.455 -5.901 922 1HD1 LEU 118 HD11 LEU 118 -2.307 -1.123 -7.930 923 2HD1 LEU 118 HD12 LEU 118 -3.972 -1.577 -8.284 924 3HD1 LEU 118 HD13 LEU 118 -2.697 -2.791 -8.351 925 1HD2 LEU 118 HD21 LEU 118 -3.664 -1.025 -4.602 926 2HD2 LEU 118 HD22 LEU 118 -4.970 -1.003 -5.784 927 3HD2 LEU 118 HD23 LEU 118 -3.495 -0.086 -6.081 928 H ALA 119 HN ALA 119 -3.868 -6.474 -4.878 929 HA ALA 119 HA ALA 119 -6.683 -7.321 -4.823 930 1HB ALA 119 HB1 ALA 119 -4.292 -8.854 -3.719 931 2HB ALA 119 HB2 ALA 119 -4.673 -8.835 -5.441 932 3HB ALA 119 HB3 ALA 119 -5.820 -9.523 -4.292 933 H ALA 120 HN ALA 120 -4.351 -7.624 -2.069 934 HA ALA 120 HA ALA 120 -6.318 -7.786 -0.110 935 1HB ALA 120 HB1 ALA 120 -4.699 -6.864 1.449 936 2HB ALA 120 HB2 ALA 120 -3.766 -6.171 0.122 937 3HB ALA 120 HB3 ALA 120 -3.865 -7.923 0.308 938 H PHE 121 HN PHE 121 -6.080 -5.200 -2.281 939 HA PHE 121 HA PHE 121 -7.359 -3.295 -0.346 940 1HB PHE 121 HB2 PHE 121 -5.225 -2.812 -1.974 941 2HB PHE 121 HB1 PHE 121 -6.528 -2.345 -3.054 942 HD1 PHE 121 HD1 PHE 121 -8.272 -0.667 -2.127 943 HD2 PHE 121 HD2 PHE 121 -4.447 -1.354 -0.306 944 HE1 PHE 121 HE1 PHE 121 -8.435 1.511 -0.961 945 HE2 PHE 121 HE2 PHE 121 -4.612 0.820 0.868 946 HZ PHE 121 HZ PHE 121 -6.604 2.256 0.540 947 H ALA 122 HN ALA 122 -7.895 -5.165 -3.265 948 HA ALA 122 HA ALA 122 -10.603 -3.871 -3.600 949 1HB ALA 122 HB1 ALA 122 -10.557 -4.525 -5.829 950 2HB ALA 122 HB2 ALA 122 -9.702 -6.024 -5.470 951 3HB ALA 122 HB3 ALA 122 -8.813 -4.513 -5.579 952 H ALA 123 HN ALA 123 -9.152 -6.776 -2.445 953 HA ALA 123 HA ALA 123 -11.853 -8.045 -2.388 954 1HB ALA 123 HB1 ALA 123 -10.697 -9.962 -1.422 955 2HB ALA 123 HB2 ALA 123 -9.223 -9.017 -1.209 956 3HB ALA 123 HB3 ALA 123 -9.780 -9.428 -2.831 957 H LEU 124 HN LEU 124 -10.792 -5.503 -0.958 958 HA LEU 124 HA LEU 124 -10.465 -6.122 1.682 959 1HB LEU 124 HB2 LEU 124 -11.019 -3.686 0.177 960 2HB LEU 124 HB1 LEU 124 -11.586 -3.571 1.829 961 HG LEU 124 HG LEU 124 -8.802 -4.458 1.092 962 1HD1 LEU 124 HD11 LEU 124 -9.277 -2.118 0.349 963 2HD1 LEU 124 HD12 LEU 124 -8.045 -2.205 1.606 964 3HD1 LEU 124 HD13 LEU 124 -9.690 -1.717 2.013 965 1HD2 LEU 124 HD21 LEU 124 -8.460 -3.559 3.537 966 2HD2 LEU 124 HD22 LEU 124 -9.112 -5.167 3.286 967 3HD2 LEU 124 HD23 LEU 124 -10.190 -3.826 3.671 968 HA PRO 125 HA PRO 125 -15.265 -5.131 2.396 969 1HB PRO 125 HB2 PRO 125 -16.733 -5.810 0.044 970 2HB PRO 125 HB1 PRO 125 -16.532 -4.189 0.749 971 1HG PRO 125 HG2 PRO 125 -15.219 -5.340 -1.638 972 2HG PRO 125 HG1 PRO 125 -15.333 -3.648 -1.130 973 1HD PRO 125 HD2 PRO 125 -13.012 -5.222 -1.008 974 2HD PRO 125 HD1 PRO 125 -13.267 -3.696 -0.132 975 H GLY 126 HN GLY 126 -14.948 -7.638 -0.156 976 1HA GLY 126 HA2 GLY 126 -16.050 -9.585 1.792 977 2HA GLY 126 HA1 GLY 126 -15.716 -9.918 0.078 978 H SER 127 HN SER 127 -14.049 -8.837 2.972 979 HA SER 127 HA SER 127 -12.550 -10.744 3.948 980 1HB SER 127 HB2 SER 127 -11.400 -10.206 1.234 981 2HB SER 127 HB1 SER 127 -10.304 -10.611 2.540 982 HG SER 127 HG SER 127 -11.598 -12.479 2.897 983 H ALA 128 HN ALA 128 -11.636 -9.697 5.642 984 HA ALA 128 HA ALA 128 -10.885 -7.879 6.931 985 1HB ALA 128 HB1 ALA 128 -8.868 -8.779 5.660 986 2HB ALA 128 HB2 ALA 128 -8.718 -7.109 6.198 987 3HB ALA 128 HB3 ALA 128 -9.098 -7.459 4.509 988 H LYS 129 HN LYS 129 -12.416 -6.199 7.113 989 HA LYS 129 HA LYS 129 -12.028 -3.644 6.122 990 1HB LYS 129 HB2 LYS 129 -12.391 -4.418 3.800 991 2HB LYS 129 HB1 LYS 129 -13.938 -5.098 4.259 992 1HG LYS 129 HG2 LYS 129 -14.845 -2.907 4.696 993 2HG LYS 129 HG1 LYS 129 -13.248 -2.178 4.570 994 1HD LYS 129 HD2 LYS 129 -13.772 -3.546 2.121 995 2HD LYS 129 HD1 LYS 129 -15.190 -2.601 2.480 996 1HE LYS 129 HE2 LYS 129 -13.888 -0.594 2.561 997 2HE LYS 129 HE1 LYS 129 -12.375 -1.483 2.513 998 1HZ LYS 129 HZ1 LYS 129 -14.230 -1.993 0.338 999 2HZ LYS 129 HZ2 LYS 129 -12.540 -1.819 0.309 1000 3HZ LYS 129 HZ3 LYS 129 -13.538 -0.445 0.362 1001 H ASP 130 HN ASP 130 -13.055 -2.703 7.882 1002 HA ASP 130 HA ASP 130 -15.437 -3.673 9.030 1003 1HB ASP 130 HB2 ASP 130 -13.664 -1.381 9.335 1004 2HB ASP 130 HB1 ASP 130 -15.343 -0.897 9.557 1005 HA PRO 131 HA PRO 131 -17.331 0.193 6.318 1006 1HB PRO 131 HB2 PRO 131 -15.819 -0.887 3.979 1007 2HB PRO 131 HB1 PRO 131 -16.413 0.760 4.288 1008 1HG PRO 131 HG2 PRO 131 -13.819 0.031 4.782 1009 2HG PRO 131 HG1 PRO 131 -14.657 1.273 5.711 1010 1HD PRO 131 HD2 PRO 131 -13.794 -1.373 6.604 1011 2HD PRO 131 HD1 PRO 131 -14.390 -0.033 7.583 1012 H SER 132 HN SER 132 -16.768 -3.216 5.865 1013 HA SER 132 HA SER 132 -18.340 -4.131 3.885 1014 1HB SER 132 HB2 SER 132 -17.179 -5.563 5.531 1015 2HB SER 132 HB1 SER 132 -18.455 -5.239 6.701 1016 HG SER 132 HG SER 132 -18.527 -7.204 5.204 1017 H TRP 133 HN TRP 133 -19.475 -2.183 6.391 1018 HA TRP 133 HA TRP 133 -22.312 -3.047 6.275 1019 1HB TRP 133 HB2 TRP 133 -20.891 -0.819 7.768 1020 2HB TRP 133 HB1 TRP 133 -22.644 -1.000 7.776 1021 HD1 TRP 133 HD1 TRP 133 -19.455 -2.911 8.771 1022 HE1 TRP 133 HE1 TRP 133 -20.059 -4.576 10.645 1023 HE3 TRP 133 HE3 TRP 133 -24.517 -2.255 8.938 1024 HZ2 TRP 133 HZ2 TRP 133 -22.381 -5.507 12.031 1025 HZ3 TRP 133 HZ3 TRP 133 -25.899 -3.541 10.543 1026 HH2 TRP 133 HH2 TRP 133 -24.839 -5.165 12.089 1027 H ALA 134 HN ALA 134 -20.169 -0.523 5.178 1028 HA ALA 134 HA ALA 134 -21.673 1.499 4.151 1029 1HB ALA 134 HB1 ALA 134 -19.411 -0.031 2.854 1030 2HB ALA 134 HB2 ALA 134 -19.329 1.508 3.709 1031 3HB ALA 134 HB3 ALA 134 -20.100 1.415 2.122 Start of MODEL 20 1 HT1 PRO 1 HT2 PRO 1 4.345 8.545 1.202 2 HT2 PRO 1 HT1 PRO 1 3.634 9.806 2.090 3 HA PRO 1 HA PRO 1 6.387 9.342 1.473 4 1HB PRO 1 HB2 PRO 1 5.840 12.228 1.171 5 2HB PRO 1 HB1 PRO 1 6.893 11.186 0.208 6 1HG PRO 1 HG2 PRO 1 4.386 12.183 -0.585 7 2HG PRO 1 HG1 PRO 1 5.276 10.866 -1.367 8 1HD PRO 1 HD2 PRO 1 2.849 10.700 0.234 9 2HD PRO 1 HD1 PRO 1 3.643 9.429 -0.701 10 H VAL 2 HN VAL 2 6.745 8.988 3.584 11 HA VAL 2 HA VAL 2 6.479 11.207 5.495 12 HB VAL 2 HB VAL 2 4.363 10.148 5.898 13 1HG1 VAL 2 HG11 VAL 2 4.496 8.089 4.754 14 2HG1 VAL 2 HG12 VAL 2 4.386 7.609 6.448 15 3HG1 VAL 2 HG13 VAL 2 5.941 7.590 5.628 16 1HG2 VAL 2 HG21 VAL 2 6.210 8.855 7.918 17 2HG2 VAL 2 HG22 VAL 2 4.576 9.466 8.177 18 3HG2 VAL 2 HG23 VAL 2 5.905 10.592 7.900 19 H MET 3 HN MET 3 8.236 11.166 6.910 20 HA MET 3 HA MET 3 10.168 8.948 6.513 21 1HB MET 3 HB2 MET 3 10.593 11.467 8.114 22 2HB MET 3 HB1 MET 3 11.799 10.456 7.312 23 1HG MET 3 HG2 MET 3 10.546 11.029 5.110 24 2HG MET 3 HG1 MET 3 9.776 12.313 6.044 25 1HE MET 3 HE1 MET 3 12.372 14.835 6.859 26 2HE MET 3 HE2 MET 3 11.424 13.708 7.826 27 3HE MET 3 HE3 MET 3 10.683 14.511 6.444 28 H HIS 4 HN HIS 4 10.648 7.473 8.036 29 HA HIS 4 HA HIS 4 9.042 7.356 10.473 30 1HB HIS 4 HB2 HIS 4 10.153 5.084 10.662 31 2HB HIS 4 HB1 HIS 4 9.291 5.342 9.152 32 HD1 HIS 4 HD1 HIS 4 12.581 4.504 10.500 33 HD2 HIS 4 HD2 HIS 4 11.122 6.137 6.953 34 HE1 HIS 4 HE1 HIS 4 14.454 4.324 8.805 35 HA PRO 5 HA PRO 5 12.208 8.746 13.259 36 1HB PRO 5 HB2 PRO 5 11.824 6.799 15.346 37 2HB PRO 5 HB1 PRO 5 11.146 8.428 15.273 38 1HG PRO 5 HG2 PRO 5 9.742 5.921 14.946 39 2HG PRO 5 HG1 PRO 5 9.066 7.554 14.878 40 1HD PRO 5 HD2 PRO 5 9.555 5.729 12.675 41 2HD PRO 5 HD1 PRO 5 8.785 7.318 12.627 42 H HIS 6 HN HIS 6 14.065 7.740 14.716 43 HA HIS 6 HA HIS 6 15.975 6.382 14.860 44 1HB HIS 6 HB2 HIS 6 14.962 4.549 12.688 45 2HB HIS 6 HB1 HIS 6 15.955 4.174 14.091 46 HD1 HIS 6 HD1 HIS 6 14.223 5.453 16.306 47 HD2 HIS 6 HD2 HIS 6 12.693 3.028 13.279 48 HE1 HIS 6 HE1 HIS 6 12.037 4.516 17.175 49 H GLY 7 HN GLY 7 15.071 5.903 11.436 50 1HA GLY 7 HA2 GLY 7 17.591 6.616 10.386 51 2HA GLY 7 HA1 GLY 7 16.076 6.773 9.492 52 H ALA 8 HN ALA 8 14.681 8.726 10.598 53 HA ALA 8 HA ALA 8 16.460 11.038 11.188 54 1HB ALA 8 HB1 ALA 8 15.576 10.531 8.603 55 2HB ALA 8 HB2 ALA 8 16.059 12.115 9.194 56 3HB ALA 8 HB3 ALA 8 14.353 11.654 9.190 57 HA PRO 9 HA PRO 9 13.088 12.337 13.726 58 1HB PRO 9 HB2 PRO 9 12.362 14.844 12.433 59 2HB PRO 9 HB1 PRO 9 13.272 14.621 13.936 60 1HG PRO 9 HG2 PRO 9 14.346 15.550 11.485 61 2HG PRO 9 HG1 PRO 9 15.284 14.995 12.881 62 1HD PRO 9 HD2 PRO 9 14.763 13.612 10.327 63 2HD PRO 9 HD1 PRO 9 16.024 13.275 11.532 64 HA PRO 10 HA PRO 10 9.973 10.989 10.964 65 1HB PRO 10 HB2 PRO 10 7.732 10.874 12.705 66 2HB PRO 10 HB1 PRO 10 8.915 9.583 12.469 67 1HG PRO 10 HG2 PRO 10 8.660 11.471 14.746 68 2HG PRO 10 HG1 PRO 10 9.452 9.890 14.694 69 1HD PRO 10 HD2 PRO 10 10.769 12.414 14.657 70 2HD PRO 10 HD1 PRO 10 11.507 10.837 14.289 71 H ASN 11 HN ASN 11 8.889 12.229 9.494 72 HA ASN 11 HA ASN 11 7.045 14.332 10.383 73 1HB ASN 11 HB2 ASN 11 9.259 15.458 10.503 74 2HB ASN 11 HB1 ASN 11 9.519 15.079 8.800 75 1HD2 ASN 11 HD21 ASN 11 9.498 17.346 8.154 76 2HD2 ASN 11 HD22 ASN 11 8.067 18.260 8.170 77 H HIS 12 HN HIS 12 5.591 14.899 8.796 78 HA HIS 12 HA HIS 12 5.622 13.207 6.361 79 1HB HIS 12 HB2 HIS 12 3.305 14.088 6.060 80 2HB HIS 12 HB1 HIS 12 3.527 13.303 7.624 81 HD1 HIS 12 HD1 HIS 12 5.301 16.283 8.068 82 HD2 HIS 12 HD2 HIS 12 1.222 15.452 7.844 83 HE1 HIS 12 HE1 HIS 12 4.111 18.231 9.165 84 H ARG 13 HN ARG 13 5.641 14.108 4.274 85 HA ARG 13 HA ARG 13 6.463 17.000 4.142 86 1HB ARG 13 HB2 ARG 13 7.591 16.371 2.005 87 2HB ARG 13 HB1 ARG 13 8.264 15.589 3.433 88 1HG ARG 13 HG2 ARG 13 6.483 13.693 2.778 89 2HG ARG 13 HG1 ARG 13 6.685 14.400 1.178 90 1HD ARG 13 HD2 ARG 13 8.857 13.255 2.956 91 2HD ARG 13 HD1 ARG 13 8.292 12.603 1.419 92 HE ARG 13 HE ARG 13 9.140 15.155 0.769 93 1HH1 ARG 13 HH21 ARG 13 10.459 12.430 2.418 94 2HH1 ARG 13 HH22 ARG 13 12.091 12.763 1.941 95 1HH2 ARG 13 HH11 ARG 13 11.265 15.606 0.136 96 2HH2 ARG 13 HH12 ARG 13 12.547 14.560 0.649 97 HA PRO 14 HA PRO 14 2.364 16.815 2.082 98 1HB PRO 14 HB2 PRO 14 2.041 19.639 2.282 99 2HB PRO 14 HB1 PRO 14 1.304 18.399 3.288 100 1HG PRO 14 HG2 PRO 14 3.427 20.250 4.013 101 2HG PRO 14 HG1 PRO 14 2.582 19.090 5.048 102 1HD PRO 14 HD2 PRO 14 5.266 18.894 3.991 103 2HD PRO 14 HD1 PRO 14 4.429 17.734 5.044 104 H TRP 15 HN TRP 15 3.308 20.020 1.251 105 HA TRP 15 HA TRP 15 4.141 21.003 -0.705 106 1HB TRP 15 HB2 TRP 15 5.829 18.978 -0.497 107 2HB TRP 15 HB1 TRP 15 4.889 18.297 -1.822 108 HD1 TRP 15 HD1 TRP 15 4.593 20.002 -4.014 109 HE1 TRP 15 HE1 TRP 15 6.364 21.550 -5.068 110 HE3 TRP 15 HE3 TRP 15 7.879 20.363 -0.121 111 HZ2 TRP 15 HZ2 TRP 15 8.847 22.779 -4.355 112 HZ3 TRP 15 HZ3 TRP 15 9.936 21.727 -0.335 113 HH2 TRP 15 HH2 TRP 15 10.424 22.935 -2.445 114 H GLN 16 HN GLN 16 2.247 18.040 -0.940 115 HA GLN 16 HA GLN 16 0.205 19.277 -2.528 116 1HB GLN 16 HB2 GLN 16 0.552 17.981 -4.625 117 2HB GLN 16 HB1 GLN 16 1.860 19.129 -4.337 118 1HG GLN 16 HG2 GLN 16 3.141 17.245 -3.231 119 2HG GLN 16 HG1 GLN 16 1.886 16.148 -3.810 120 1HE2 GLN 16 HE21 GLN 16 3.525 15.088 -5.213 121 2HE2 GLN 16 HE22 GLN 16 4.023 15.836 -6.653 122 H MET 17 HN MET 17 0.464 17.537 -0.175 123 HA MET 17 HA MET 17 -0.081 14.848 -0.843 124 1HB MET 17 HB2 MET 17 0.529 15.395 1.431 125 2HB MET 17 HB1 MET 17 -0.856 16.471 1.601 126 1HG MET 17 HG2 MET 17 -2.392 14.681 1.676 127 2HG MET 17 HG1 MET 17 -1.238 13.542 0.978 128 1HE MET 17 HE1 MET 17 -1.631 15.012 5.276 129 2HE MET 17 HE2 MET 17 -2.879 14.891 4.039 130 3HE MET 17 HE3 MET 17 -1.608 16.101 3.882 131 H LYS 18 HN LYS 18 -1.812 17.552 -1.527 132 HA LYS 18 HA LYS 18 -4.526 16.883 -1.001 133 1HB LYS 18 HB2 LYS 18 -5.019 18.469 -2.896 134 2HB LYS 18 HB1 LYS 18 -3.944 19.134 -1.664 135 1HG LYS 18 HG2 LYS 18 -1.989 18.600 -3.042 136 2HG LYS 18 HG1 LYS 18 -3.029 17.861 -4.261 137 1HD LYS 18 HD2 LYS 18 -4.178 20.048 -4.567 138 2HD LYS 18 HD1 LYS 18 -3.060 20.773 -3.412 139 1HE LYS 18 HE2 LYS 18 -2.331 21.153 -5.753 140 2HE LYS 18 HE1 LYS 18 -1.160 20.189 -4.852 141 1HZ LYS 18 HZ1 LYS 18 -1.825 19.390 -7.160 142 2HZ LYS 18 HZ2 LYS 18 -3.294 18.918 -6.449 143 3HZ LYS 18 HZ3 LYS 18 -1.831 18.246 -5.908 144 H ASP 19 HN ASP 19 -2.430 15.079 -2.738 145 HA ASP 19 HA ASP 19 -4.455 14.295 -4.793 146 1HB ASP 19 HB2 ASP 19 -2.671 13.142 -5.947 147 2HB ASP 19 HB1 ASP 19 -2.034 14.719 -5.482 148 H LEU 20 HN LEU 20 -2.835 13.094 -1.888 149 HA LEU 20 HA LEU 20 -3.956 10.416 -2.266 150 1HB LEU 20 HB2 LEU 20 -3.191 11.514 0.439 151 2HB LEU 20 HB1 LEU 20 -3.074 9.855 -0.168 152 HG LEU 20 HG LEU 20 -1.382 12.213 -1.066 153 1HD1 LEU 20 HD11 LEU 20 0.448 11.028 0.005 154 2HD1 LEU 20 HD12 LEU 20 -0.608 9.670 0.394 155 3HD1 LEU 20 HD13 LEU 20 -0.849 11.229 1.183 156 1HD2 LEU 20 HD21 LEU 20 -1.548 9.329 -1.976 157 2HD2 LEU 20 HD22 LEU 20 -0.145 10.348 -2.298 158 3HD2 LEU 20 HD23 LEU 20 -1.721 10.783 -2.960 159 H GLN 21 HN GLN 21 -4.957 13.509 -0.906 160 HA GLN 21 HA GLN 21 -7.252 12.482 0.513 161 1HB GLN 21 HB2 GLN 21 -6.251 14.749 0.911 162 2HB GLN 21 HB1 GLN 21 -6.806 15.237 -0.690 163 1HG GLN 21 HG2 GLN 21 -9.141 14.731 -0.018 164 2HG GLN 21 HG1 GLN 21 -8.569 14.309 1.596 165 1HE2 GLN 21 HE21 GLN 21 -8.385 16.012 3.080 166 2HE2 GLN 21 HE22 GLN 21 -8.448 17.658 2.667 167 H ALA 22 HN ALA 22 -6.684 13.860 -2.730 168 HA ALA 22 HA ALA 22 -9.275 13.875 -3.788 169 1HB ALA 22 HB1 ALA 22 -7.301 14.576 -5.077 170 2HB ALA 22 HB2 ALA 22 -8.226 13.373 -5.976 171 3HB ALA 22 HB3 ALA 22 -6.742 12.904 -5.146 172 H ILE 23 HN ILE 23 -7.126 11.162 -3.122 173 HA ILE 23 HA ILE 23 -8.833 9.183 -4.384 174 HB ILE 23 HB ILE 23 -6.458 9.114 -2.534 175 1HG1 ILE 23 HG12 ILE 23 -5.744 7.391 -4.329 176 2HG1 ILE 23 HG11 ILE 23 -7.141 7.943 -5.243 177 1HG2 ILE 23 HG21 ILE 23 -8.502 6.932 -2.796 178 2HG2 ILE 23 HG22 ILE 23 -7.605 7.452 -1.375 179 3HG2 ILE 23 HG23 ILE 23 -6.801 6.499 -2.621 180 1HD1 ILE 23 HD11 ILE 23 -4.811 9.626 -4.297 181 2HD1 ILE 23 HD12 ILE 23 -6.269 10.294 -5.029 182 3HD1 ILE 23 HD13 ILE 23 -5.224 9.225 -5.963 183 H LYS 24 HN LYS 24 -8.436 10.493 -1.033 184 HA LYS 24 HA LYS 24 -10.512 8.892 0.148 185 1HB LYS 24 HB2 LYS 24 -8.538 10.246 1.202 186 2HB LYS 24 HB1 LYS 24 -9.643 11.613 1.087 187 1HG LYS 24 HG2 LYS 24 -11.353 10.088 2.288 188 2HG LYS 24 HG1 LYS 24 -9.971 9.062 2.671 189 1HD LYS 24 HD2 LYS 24 -10.228 12.002 3.372 190 2HD LYS 24 HD1 LYS 24 -10.410 10.657 4.499 191 1HE LYS 24 HE2 LYS 24 -8.047 9.944 3.774 192 2HE LYS 24 HE1 LYS 24 -7.914 11.546 3.048 193 1HZ LYS 24 HZ1 LYS 24 -7.279 11.026 5.572 194 2HZ LYS 24 HZ2 LYS 24 -8.909 11.463 5.774 195 3HZ LYS 24 HZ3 LYS 24 -7.821 12.544 5.044 196 H GLN 25 HN GLN 25 -10.880 11.078 -2.299 197 HA GLN 25 HA GLN 25 -13.315 12.331 -1.145 198 1HB GLN 25 HB2 GLN 25 -11.998 12.545 -3.874 199 2HB GLN 25 HB1 GLN 25 -13.510 13.344 -3.450 200 1HG GLN 25 HG2 GLN 25 -12.364 14.506 -1.587 201 2HG GLN 25 HG1 GLN 25 -10.846 13.742 -2.059 202 1HE2 GLN 25 HE21 GLN 25 -13.316 14.964 -4.332 203 2HE2 GLN 25 HE22 GLN 25 -12.337 16.183 -4.994 204 H GLU 26 HN GLU 26 -12.100 9.920 -3.330 205 HA GLU 26 HA GLU 26 -14.791 9.069 -4.215 206 1HB GLU 26 HB2 GLU 26 -11.972 8.255 -4.871 207 2HB GLU 26 HB1 GLU 26 -13.336 7.256 -5.378 208 1HG GLU 26 HG2 GLU 26 -12.713 8.843 -7.156 209 2HG GLU 26 HG1 GLU 26 -14.322 9.209 -6.533 210 H VAL 27 HN VAL 27 -12.705 8.342 -1.521 211 HA VAL 27 HA VAL 27 -13.507 5.555 -1.290 212 HB VAL 27 HB VAL 27 -12.702 5.599 0.949 213 1HG1 VAL 27 HG11 VAL 27 -10.379 6.612 0.499 214 2HG1 VAL 27 HG12 VAL 27 -11.028 7.049 -1.079 215 3HG1 VAL 27 HG13 VAL 27 -10.950 5.367 -0.606 216 1HG2 VAL 27 HG21 VAL 27 -11.739 7.830 1.814 217 2HG2 VAL 27 HG22 VAL 27 -13.485 7.612 1.884 218 3HG2 VAL 27 HG23 VAL 27 -12.772 8.575 0.604 219 H SER 28 HN SER 28 -14.408 8.783 -0.100 220 HA SER 28 HA SER 28 -16.608 8.119 1.573 221 1HB SER 28 HB2 SER 28 -17.507 10.354 1.053 222 2HB SER 28 HB1 SER 28 -15.759 10.464 1.234 223 HG SER 28 HG SER 28 -16.300 11.522 -0.637 224 H GLN 29 HN GLN 29 -17.106 9.473 -1.656 225 HA GLN 29 HA GLN 29 -19.258 8.890 -2.873 226 1HB GLN 29 HB2 GLN 29 -17.098 8.966 -4.078 227 2HB GLN 29 HB1 GLN 29 -16.953 7.225 -3.840 228 1HG GLN 29 HG2 GLN 29 -19.062 6.856 -5.025 229 2HG GLN 29 HG1 GLN 29 -19.284 8.597 -5.207 230 1HE2 GLN 29 HE21 GLN 29 -17.442 9.746 -6.443 231 2HE2 GLN 29 HE22 GLN 29 -16.711 8.896 -7.718 232 H ALA 30 HN ALA 30 -17.276 6.011 -2.008 233 HA ALA 30 HA ALA 30 -19.647 4.218 -2.333 234 1HB ALA 30 HB1 ALA 30 -17.460 3.534 -3.276 235 2HB ALA 30 HB2 ALA 30 -18.032 2.392 -2.067 236 3HB ALA 30 HB3 ALA 30 -16.762 3.546 -1.657 237 H ALA 31 HN ALA 31 -18.544 2.338 -0.396 238 HA ALA 31 HA ALA 31 -19.778 3.476 2.035 239 1HB ALA 31 HB1 ALA 31 -18.653 0.759 2.269 240 2HB ALA 31 HB2 ALA 31 -19.693 0.922 0.858 241 3HB ALA 31 HB3 ALA 31 -20.329 1.287 2.458 242 HA PRO 32 HA PRO 32 -15.978 4.236 4.158 243 1HB PRO 32 HB2 PRO 32 -16.176 2.365 6.373 244 2HB PRO 32 HB1 PRO 32 -16.523 4.097 6.380 245 1HG PRO 32 HG2 PRO 32 -18.430 1.954 6.537 246 2HG PRO 32 HG1 PRO 32 -18.775 3.686 6.435 247 1HD PRO 32 HD2 PRO 32 -19.088 1.656 4.365 248 2HD PRO 32 HD1 PRO 32 -19.591 3.357 4.319 249 H GLY 33 HN GLY 33 -15.695 2.464 2.060 250 1HA GLY 33 HA2 GLY 33 -13.215 1.386 2.098 251 2HA GLY 33 HA1 GLY 33 -14.132 0.131 2.929 252 H SER 34 HN SER 34 -15.032 -1.396 1.640 253 HA SER 34 HA SER 34 -15.935 -2.442 -0.223 254 1HB SER 34 HB2 SER 34 -17.701 -1.220 -0.933 255 2HB SER 34 HB1 SER 34 -17.015 0.179 -0.127 256 HG SER 34 HG SER 34 -16.334 0.921 -1.988 257 HA PRO 35 HA PRO 35 -12.882 -2.580 -3.473 258 1HB PRO 35 HB2 PRO 35 -14.703 -2.257 -5.732 259 2HB PRO 35 HB1 PRO 35 -13.875 -3.721 -5.184 260 1HG PRO 35 HG2 PRO 35 -16.666 -3.133 -4.926 261 2HG PRO 35 HG1 PRO 35 -15.805 -4.522 -4.248 262 1HD PRO 35 HD2 PRO 35 -16.873 -2.224 -2.837 263 2HD PRO 35 HD1 PRO 35 -16.083 -3.655 -2.150 264 H GLN 36 HN GLN 36 -15.383 -0.065 -4.130 265 HA GLN 36 HA GLN 36 -14.111 1.624 -5.872 266 1HB GLN 36 HB2 GLN 36 -16.281 2.036 -4.602 267 2HB GLN 36 HB1 GLN 36 -15.281 2.717 -3.314 268 1HG GLN 36 HG2 GLN 36 -15.917 4.574 -4.683 269 2HG GLN 36 HG1 GLN 36 -14.243 4.217 -5.107 270 1HE2 GLN 36 HE21 GLN 36 -13.808 3.359 -7.229 271 2HE2 GLN 36 HE22 GLN 36 -15.006 3.248 -8.427 272 H PHE 37 HN PHE 37 -13.134 1.087 -2.547 273 HA PHE 37 HA PHE 37 -11.068 3.205 -2.459 274 1HB PHE 37 HB2 PHE 37 -12.396 1.718 -0.569 275 2HB PHE 37 HB1 PHE 37 -10.943 0.749 -0.753 276 HD1 PHE 37 HD1 PHE 37 -8.705 2.296 -0.859 277 HD2 PHE 37 HD2 PHE 37 -12.353 3.308 1.140 278 HE1 PHE 37 HE1 PHE 37 -7.454 3.824 0.626 279 HE2 PHE 37 HE2 PHE 37 -11.110 4.848 2.632 280 HZ PHE 37 HZ PHE 37 -8.657 5.107 2.376 281 H MET 38 HN MET 38 -11.226 -0.024 -3.730 282 HA MET 38 HA MET 38 -8.278 -0.207 -3.977 283 1HB MET 38 HB2 MET 38 -9.071 -2.388 -4.087 284 2HB MET 38 HB1 MET 38 -10.649 -1.888 -4.671 285 1HG MET 38 HG2 MET 38 -9.441 -3.196 -6.391 286 2HG MET 38 HG1 MET 38 -9.711 -1.568 -6.951 287 1HE MET 38 HE1 MET 38 -7.081 -4.238 -7.081 288 2HE MET 38 HE2 MET 38 -6.221 -3.138 -8.156 289 3HE MET 38 HE3 MET 38 -7.965 -3.331 -8.315 290 H GLN 39 HN GLN 39 -11.020 0.388 -6.146 291 HA GLN 39 HA GLN 39 -9.756 0.826 -8.547 292 1HB GLN 39 HB2 GLN 39 -12.241 1.092 -7.933 293 2HB GLN 39 HB1 GLN 39 -11.845 2.764 -7.544 294 1HG GLN 39 HG2 GLN 39 -11.238 1.465 -10.218 295 2HG GLN 39 HG1 GLN 39 -12.674 2.435 -9.898 296 1HE2 GLN 39 HE21 GLN 39 -9.906 2.807 -11.472 297 2HE2 GLN 39 HE22 GLN 39 -9.496 4.404 -11.069 298 H THR 40 HN THR 40 -10.045 3.168 -5.888 299 HA THR 40 HA THR 40 -8.445 5.227 -7.260 300 HB THR 40 HB THR 40 -8.681 6.257 -4.987 301 HG1 THR 40 HG1 THR 40 -8.821 4.536 -3.681 302 1HG2 THR 40 HG21 THR 40 -10.971 5.466 -6.704 303 2HG2 THR 40 HG22 THR 40 -10.460 7.079 -6.202 304 3HG2 THR 40 HG23 THR 40 -11.372 6.053 -5.094 305 H ILE 41 HN ILE 41 -7.725 2.755 -4.833 306 HA ILE 41 HA ILE 41 -5.025 3.907 -4.580 307 HB ILE 41 HB ILE 41 -6.052 1.190 -3.716 308 1HG1 ILE 41 HG12 ILE 41 -7.145 3.346 -2.747 309 2HG1 ILE 41 HG11 ILE 41 -6.576 2.111 -1.630 310 1HG2 ILE 41 HG21 ILE 41 -3.675 1.112 -3.816 311 2HG2 ILE 41 HG22 ILE 41 -4.067 1.404 -2.122 312 3HG2 ILE 41 HG23 ILE 41 -3.523 2.733 -3.143 313 1HD1 ILE 41 HD11 ILE 41 -5.937 4.513 -1.025 314 2HD1 ILE 41 HD12 ILE 41 -4.857 4.485 -2.412 315 3HD1 ILE 41 HD13 ILE 41 -4.606 3.360 -1.084 316 H ARG 42 HN ARG 42 -6.744 2.078 -6.776 317 HA ARG 42 HA ARG 42 -4.659 0.332 -7.746 318 1HB ARG 42 HB2 ARG 42 -7.163 0.088 -8.159 319 2HB ARG 42 HB1 ARG 42 -6.998 1.389 -9.334 320 1HG ARG 42 HG2 ARG 42 -5.261 0.061 -10.520 321 2HG ARG 42 HG1 ARG 42 -5.518 -1.257 -9.377 322 1HD ARG 42 HD2 ARG 42 -7.539 -0.115 -11.324 323 2HD ARG 42 HD1 ARG 42 -6.826 -1.727 -11.358 324 HE ARG 42 HE ARG 42 -8.048 -1.598 -8.874 325 1HH1 ARG 42 HH21 ARG 42 -8.967 -1.045 -12.150 326 2HH1 ARG 42 HH22 ARG 42 -10.612 -1.531 -11.912 327 1HH2 ARG 42 HH11 ARG 42 -10.194 -2.240 -8.545 328 2HH2 ARG 42 HH12 ARG 42 -11.307 -2.205 -9.871 329 H LEU 43 HN LEU 43 -6.013 3.431 -9.001 330 HA LEU 43 HA LEU 43 -3.702 3.586 -10.859 331 1HB LEU 43 HB2 LEU 43 -4.928 5.103 -12.128 332 2HB LEU 43 HB1 LEU 43 -6.195 4.081 -11.465 333 HG LEU 43 HG LEU 43 -5.365 6.804 -10.389 334 1HD1 LEU 43 HD11 LEU 43 -7.738 5.815 -11.977 335 2HD1 LEU 43 HD12 LEU 43 -6.592 7.080 -12.421 336 3HD1 LEU 43 HD13 LEU 43 -7.738 7.348 -11.107 337 1HD2 LEU 43 HD21 LEU 43 -7.599 4.931 -9.550 338 2HD2 LEU 43 HD22 LEU 43 -7.304 6.538 -8.893 339 3HD2 LEU 43 HD23 LEU 43 -6.142 5.246 -8.615 340 H ALA 44 HN ALA 44 -4.402 4.667 -7.730 341 HA ALA 44 HA ALA 44 -2.757 7.149 -8.041 342 1HB ALA 44 HB1 ALA 44 -3.749 5.990 -5.425 343 2HB ALA 44 HB2 ALA 44 -4.818 6.942 -6.455 344 3HB ALA 44 HB3 ALA 44 -3.352 7.668 -5.795 345 H VAL 45 HN VAL 45 -2.494 3.967 -6.449 346 HA VAL 45 HA VAL 45 0.280 4.584 -5.733 347 HB VAL 45 HB VAL 45 -1.458 2.120 -5.454 348 1HG1 VAL 45 HG11 VAL 45 0.711 1.203 -5.876 349 2HG1 VAL 45 HG12 VAL 45 0.540 1.222 -4.121 350 3HG1 VAL 45 HG13 VAL 45 1.505 2.460 -4.927 351 1HG2 VAL 45 HG21 VAL 45 -1.197 2.580 -3.074 352 2HG2 VAL 45 HG22 VAL 45 -1.744 4.052 -3.881 353 3HG2 VAL 45 HG23 VAL 45 -0.053 3.876 -3.418 354 H GLN 46 HN GLN 46 -1.455 3.037 -8.374 355 HA GLN 46 HA GLN 46 0.949 1.706 -9.388 356 1HB GLN 46 HB2 GLN 46 -1.351 0.832 -9.821 357 2HB GLN 46 HB1 GLN 46 -1.661 2.253 -10.822 358 1HG GLN 46 HG2 GLN 46 0.112 1.644 -12.349 359 2HG GLN 46 HG1 GLN 46 0.628 0.327 -11.295 360 1HE2 GLN 46 HE21 GLN 46 -1.112 -1.422 -10.903 361 2HE2 GLN 46 HE22 GLN 46 -2.153 -1.789 -12.193 362 H GLN 47 HN GLN 47 -0.522 4.865 -9.691 363 HA GLN 47 HA GLN 47 0.870 5.450 -12.204 364 1HB GLN 47 HB2 GLN 47 -0.875 7.090 -10.383 365 2HB GLN 47 HB1 GLN 47 -0.062 7.788 -11.781 366 1HG GLN 47 HG2 GLN 47 -1.769 5.305 -12.030 367 2HG GLN 47 HG1 GLN 47 -2.462 6.923 -12.153 368 1HE2 GLN 47 HE21 GLN 47 -0.552 4.517 -13.823 369 2HE2 GLN 47 HE22 GLN 47 -0.321 5.405 -15.252 370 H PHE 48 HN PHE 48 0.824 7.138 -9.052 371 HA PHE 48 HA PHE 48 3.446 8.334 -9.601 372 1HB PHE 48 HB2 PHE 48 1.650 8.494 -7.164 373 2HB PHE 48 HB1 PHE 48 3.097 9.467 -7.427 374 HD1 PHE 48 HD1 PHE 48 -0.337 8.773 -8.633 375 HD2 PHE 48 HD2 PHE 48 3.106 11.319 -8.967 376 HE1 PHE 48 HE1 PHE 48 -1.668 10.400 -9.949 377 HE2 PHE 48 HE2 PHE 48 1.775 12.946 -10.284 378 HZ PHE 48 HZ PHE 48 -0.612 12.487 -10.774 379 H ASP 49 HN ASP 49 2.534 5.350 -8.466 380 HA ASP 49 HA ASP 49 3.485 3.879 -6.802 381 1HB ASP 49 HB2 ASP 49 5.712 4.749 -8.648 382 2HB ASP 49 HB1 ASP 49 5.831 3.369 -7.559 383 HA PRO 50 HA PRO 50 5.376 7.282 -4.187 384 1HB PRO 50 HB2 PRO 50 3.821 6.099 -2.002 385 2HB PRO 50 HB1 PRO 50 3.752 7.750 -2.632 386 1HG PRO 50 HG2 PRO 50 1.780 5.734 -3.001 387 2HG PRO 50 HG1 PRO 50 1.858 7.287 -3.846 388 1HD PRO 50 HD2 PRO 50 2.441 4.615 -4.894 389 2HD PRO 50 HD1 PRO 50 2.299 6.143 -5.789 390 H THR 51 HN THR 51 6.820 6.835 -2.259 391 HA THR 51 HA THR 51 8.134 4.235 -2.595 392 HB THR 51 HB THR 51 9.728 5.084 -0.916 393 HG1 THR 51 HG1 THR 51 9.354 6.971 0.106 394 1HG2 THR 51 HG21 THR 51 8.917 6.919 -3.173 395 2HG2 THR 51 HG22 THR 51 10.212 5.721 -3.151 396 3HG2 THR 51 HG23 THR 51 10.363 7.201 -2.203 397 H ALA 52 HN ALA 52 8.714 3.008 -0.472 398 HA ALA 52 HA ALA 52 6.354 2.012 0.715 399 1HB ALA 52 HB1 ALA 52 8.237 0.624 0.942 400 2HB ALA 52 HB2 ALA 52 8.038 1.254 2.578 401 3HB ALA 52 HB3 ALA 52 9.253 1.949 1.504 402 H LYS 53 HN LYS 53 8.212 4.813 1.340 403 HA LYS 53 HA LYS 53 7.700 5.458 4.028 404 1HB LYS 53 HB2 LYS 53 7.644 7.327 1.647 405 2HB LYS 53 HB1 LYS 53 7.925 7.790 3.324 406 1HG LYS 53 HG2 LYS 53 9.920 6.258 3.348 407 2HG LYS 53 HG1 LYS 53 9.692 6.023 1.616 408 1HD LYS 53 HD2 LYS 53 10.157 8.303 1.132 409 2HD LYS 53 HD1 LYS 53 9.967 8.784 2.818 410 1HE LYS 53 HE2 LYS 53 11.964 7.424 3.405 411 2HE LYS 53 HE1 LYS 53 12.177 7.036 1.698 412 1HZ LYS 53 HZ1 LYS 53 12.483 9.631 3.060 413 2HZ LYS 53 HZ2 LYS 53 12.132 9.575 1.398 414 3HZ LYS 53 HZ3 LYS 53 13.548 8.851 1.995 415 H ASP 54 HN ASP 54 5.713 6.489 1.195 416 HA ASP 54 HA ASP 54 3.489 7.518 2.636 417 1HB ASP 54 HB2 ASP 54 4.091 7.250 0.011 418 2HB ASP 54 HB1 ASP 54 3.027 5.863 0.178 419 H LEU 55 HN LEU 55 4.021 4.190 1.447 420 HA LEU 55 HA LEU 55 1.784 2.903 2.319 421 1HB LEU 55 HB2 LEU 55 4.173 2.034 1.469 422 2HB LEU 55 HB1 LEU 55 4.362 1.624 3.165 423 HG LEU 55 HG LEU 55 3.463 -0.303 2.023 424 1HD1 LEU 55 HD11 LEU 55 1.601 -0.763 3.386 425 2HD1 LEU 55 HD12 LEU 55 1.060 0.913 3.373 426 3HD1 LEU 55 HD13 LEU 55 2.498 0.455 4.291 427 1HD2 LEU 55 HD21 LEU 55 1.754 -0.295 0.469 428 2HD2 LEU 55 HD22 LEU 55 2.379 1.325 0.187 429 3HD2 LEU 55 HD23 LEU 55 0.942 1.095 1.182 430 H GLN 56 HN GLN 56 4.201 4.329 4.444 431 HA GLN 56 HA GLN 56 3.074 3.058 6.843 432 1HB GLN 56 HB2 GLN 56 5.149 5.202 6.374 433 2HB GLN 56 HB1 GLN 56 4.502 4.932 7.988 434 1HG GLN 56 HG2 GLN 56 6.528 3.611 7.714 435 2HG GLN 56 HG1 GLN 56 5.142 2.525 7.800 436 1HE2 GLN 56 HE21 GLN 56 4.587 1.311 5.896 437 2HE2 GLN 56 HE22 GLN 56 5.553 1.312 4.500 438 H ASP 57 HN ASP 57 2.809 6.193 5.180 439 HA ASP 57 HA ASP 57 0.907 7.197 7.231 440 1HB ASP 57 HB2 ASP 57 2.431 8.834 6.275 441 2HB ASP 57 HB1 ASP 57 1.935 8.400 4.640 442 H LEU 58 HN LEU 58 0.655 5.362 4.330 443 HA LEU 58 HA LEU 58 -2.168 6.243 3.908 444 1HB LEU 58 HB2 LEU 58 -0.333 4.320 2.445 445 2HB LEU 58 HB1 LEU 58 -2.058 4.392 2.100 446 HG LEU 58 HG LEU 58 -0.403 6.916 2.059 447 1HD1 LEU 58 HD11 LEU 58 -0.727 4.926 -0.208 448 2HD1 LEU 58 HD12 LEU 58 0.783 5.358 0.592 449 3HD1 LEU 58 HD13 LEU 58 -0.071 6.553 -0.383 450 1HD2 LEU 58 HD21 LEU 58 -2.934 5.984 0.661 451 2HD2 LEU 58 HD22 LEU 58 -2.129 7.514 0.321 452 3HD2 LEU 58 HD23 LEU 58 -2.811 7.216 1.917 453 H LEU 59 HN LEU 59 -0.364 3.657 5.396 454 HA LEU 59 HA LEU 59 -2.854 2.077 5.798 455 1HB LEU 59 HB2 LEU 59 -0.549 1.031 5.301 456 2HB LEU 59 HB1 LEU 59 -0.104 1.517 6.933 457 HG LEU 59 HG LEU 59 -2.155 0.263 7.758 458 1HD1 LEU 59 HD11 LEU 59 -2.232 -0.464 4.836 459 2HD1 LEU 59 HD12 LEU 59 -3.563 -0.113 5.935 460 3HD1 LEU 59 HD13 LEU 59 -2.734 -1.661 6.028 461 1HD2 LEU 59 HD21 LEU 59 -1.021 -1.990 7.440 462 2HD2 LEU 59 HD22 LEU 59 0.018 -0.710 8.067 463 3HD2 LEU 59 HD23 LEU 59 0.119 -1.175 6.369 464 H GLN 60 HN GLN 60 -0.925 4.465 7.355 465 HA GLN 60 HA GLN 60 -2.047 3.832 10.027 466 1HB GLN 60 HB2 GLN 60 -0.050 5.878 9.064 467 2HB GLN 60 HB1 GLN 60 -0.576 5.727 10.739 468 1HG GLN 60 HG2 GLN 60 0.512 3.353 9.210 469 2HG GLN 60 HG1 GLN 60 1.576 4.461 10.079 470 1HE2 GLN 60 HE21 GLN 60 1.168 4.689 12.474 471 2HE2 GLN 60 HE22 GLN 60 0.463 3.395 13.316 472 H TYR 61 HN TYR 61 -2.473 6.081 7.367 473 HA TYR 61 HA TYR 61 -4.230 7.833 9.045 474 1HB TYR 61 HB2 TYR 61 -2.189 8.689 7.617 475 2HB TYR 61 HB1 TYR 61 -3.309 8.548 6.266 476 HD1 TYR 61 HD1 TYR 61 -2.346 10.482 9.174 477 HD2 TYR 61 HD2 TYR 61 -5.524 9.789 6.370 478 HE1 TYR 61 HE1 TYR 61 -3.384 12.641 9.816 479 HE2 TYR 61 HE2 TYR 61 -6.562 11.947 7.012 480 HH TYR 61 HH TYR 61 -6.521 13.460 9.084 481 H LEU 62 HN LEU 62 -4.151 6.392 5.727 482 HA LEU 62 HA LEU 62 -6.996 6.973 5.394 483 1HB LEU 62 HB2 LEU 62 -4.831 5.794 3.747 484 2HB LEU 62 HB1 LEU 62 -6.399 5.042 3.466 485 HG LEU 62 HG LEU 62 -7.371 7.340 3.127 486 1HD1 LEU 62 HD11 LEU 62 -5.637 9.134 2.613 487 2HD1 LEU 62 HD12 LEU 62 -4.452 8.089 3.398 488 3HD1 LEU 62 HD13 LEU 62 -5.819 8.718 4.316 489 1HD2 LEU 62 HD21 LEU 62 -6.593 7.553 0.877 490 2HD2 LEU 62 HD22 LEU 62 -6.483 5.837 1.261 491 3HD2 LEU 62 HD23 LEU 62 -5.032 6.836 1.274 492 H CYS 63 HN CYS 63 -5.150 4.285 6.634 493 HA CYS 63 HA CYS 63 -7.689 2.715 6.905 494 1HB CYS 63 HB2 CYS 63 -4.903 1.708 7.488 495 2HB CYS 63 HB1 CYS 63 -6.358 0.769 7.177 496 HG CYS 63 HG CYS 63 -6.243 1.855 4.674 497 H SER 64 HN SER 64 -6.166 1.280 9.184 498 HA SER 64 HA SER 64 -5.807 3.294 11.237 499 1HB SER 64 HB2 SER 64 -8.181 3.471 11.253 500 2HB SER 64 HB1 SER 64 -8.387 1.727 11.113 501 HG SER 64 HG SER 64 -8.458 1.785 13.212 502 H SER 65 HN SER 65 -5.726 2.139 13.469 503 HA SER 65 HA SER 65 -3.697 0.313 13.613 504 1HB SER 65 HB2 SER 65 -4.680 -0.447 15.799 505 2HB SER 65 HB1 SER 65 -4.594 1.303 15.622 506 HG SER 65 HG SER 65 -6.641 0.594 16.382 507 H LEU 66 HN LEU 66 -7.031 -0.952 14.175 508 HA LEU 66 HA LEU 66 -6.443 -3.624 13.805 509 1HB LEU 66 HB2 LEU 66 -8.911 -2.002 13.212 510 2HB LEU 66 HB1 LEU 66 -8.889 -3.730 12.877 511 HG LEU 66 HG LEU 66 -9.811 -3.145 15.138 512 1HD1 LEU 66 HD11 LEU 66 -8.397 -5.318 14.492 513 2HD1 LEU 66 HD12 LEU 66 -8.934 -5.029 16.143 514 3HD1 LEU 66 HD13 LEU 66 -7.276 -4.657 15.684 515 1HD2 LEU 66 HD21 LEU 66 -8.365 -2.297 16.864 516 2HD2 LEU 66 HD22 LEU 66 -8.214 -1.215 15.481 517 3HD2 LEU 66 HD23 LEU 66 -6.953 -2.403 15.813 518 H VAL 67 HN VAL 67 -8.115 -1.867 11.202 519 HA VAL 67 HA VAL 67 -7.881 -3.510 9.141 520 HB VAL 67 HB VAL 67 -7.115 -0.594 8.946 521 1HG1 VAL 67 HG11 VAL 67 -8.009 -0.884 6.582 522 2HG1 VAL 67 HG12 VAL 67 -7.915 -2.624 6.853 523 3HG1 VAL 67 HG13 VAL 67 -6.449 -1.644 6.897 524 1HG2 VAL 67 HG21 VAL 67 -9.749 -2.069 8.689 525 2HG2 VAL 67 HG22 VAL 67 -9.524 -0.360 8.313 526 3HG2 VAL 67 HG23 VAL 67 -9.302 -0.937 9.965 527 H ALA 68 HN ALA 68 -5.066 -1.520 10.177 528 HA ALA 68 HA ALA 68 -3.207 -2.362 8.219 529 1HB ALA 68 HB1 ALA 68 -2.710 -0.597 9.885 530 2HB ALA 68 HB2 ALA 68 -1.461 -1.842 9.892 531 3HB ALA 68 HB3 ALA 68 -2.684 -1.815 11.162 532 H SER 69 HN SER 69 -4.278 -3.924 11.202 533 HA SER 69 HA SER 69 -2.515 -6.184 11.289 534 1HB SER 69 HB2 SER 69 -5.434 -6.095 12.049 535 2HB SER 69 HB1 SER 69 -4.195 -7.189 12.642 536 HG SER 69 HG SER 69 -4.815 -4.674 13.428 537 H LEU 70 HN LEU 70 -5.929 -6.298 10.421 538 HA LEU 70 HA LEU 70 -6.311 -8.565 9.062 539 1HB LEU 70 HB2 LEU 70 -7.410 -5.973 8.026 540 2HB LEU 70 HB1 LEU 70 -8.161 -7.569 8.050 541 HG LEU 70 HG LEU 70 -7.593 -5.748 10.403 542 1HD1 LEU 70 HD11 LEU 70 -9.684 -5.393 9.129 543 2HD1 LEU 70 HD12 LEU 70 -10.012 -5.996 10.754 544 3HD1 LEU 70 HD13 LEU 70 -10.110 -7.087 9.372 545 1HD2 LEU 70 HD21 LEU 70 -6.961 -7.910 11.215 546 2HD2 LEU 70 HD22 LEU 70 -8.272 -8.700 10.340 547 3HD2 LEU 70 HD23 LEU 70 -8.630 -7.686 11.737 548 H HIS 71 HN HIS 71 -5.824 -5.568 7.221 549 HA HIS 71 HA HIS 71 -5.717 -6.789 4.847 550 1HB HIS 71 HB2 HIS 71 -6.000 -4.515 4.539 551 2HB HIS 71 HB1 HIS 71 -4.867 -4.117 5.816 552 HD1 HIS 71 HD1 HIS 71 -2.442 -3.670 5.171 553 HD2 HIS 71 HD2 HIS 71 -4.778 -4.870 1.937 554 HE1 HIS 71 HE1 HIS 71 -1.053 -3.263 3.099 555 H HIS 72 HN HIS 72 -2.766 -5.564 6.521 556 HA HIS 72 HA HIS 72 -1.015 -6.764 4.634 557 1HB HIS 72 HB2 HIS 72 -0.112 -4.992 6.040 558 2HB HIS 72 HB1 HIS 72 -0.502 -5.890 7.506 559 HD1 HIS 72 HD1 HIS 72 2.181 -5.344 5.101 560 HD2 HIS 72 HD2 HIS 72 1.095 -8.403 7.716 561 HE1 HIS 72 HE1 HIS 72 4.221 -6.823 5.359 562 H GLN 73 HN GLN 73 -2.922 -8.071 7.067 563 HA GLN 73 HA GLN 73 -1.451 -10.368 7.892 564 1HB GLN 73 HB2 GLN 73 -3.942 -9.584 8.480 565 2HB GLN 73 HB1 GLN 73 -4.365 -10.670 7.157 566 1HG GLN 73 HG2 GLN 73 -2.926 -12.428 8.343 567 2HG GLN 73 HG1 GLN 73 -2.935 -11.342 9.733 568 1HE2 GLN 73 HE21 GLN 73 -4.191 -13.937 9.818 569 2HE2 GLN 73 HE22 GLN 73 -5.865 -13.704 9.976 570 H GLN 74 HN GLN 74 -3.752 -10.026 5.161 571 HA GLN 74 HA GLN 74 -3.257 -12.371 3.819 572 1HB GLN 74 HB2 GLN 74 -3.572 -9.601 2.625 573 2HB GLN 74 HB1 GLN 74 -3.675 -11.085 1.678 574 1HG GLN 74 HG2 GLN 74 -5.398 -10.517 4.106 575 2HG GLN 74 HG1 GLN 74 -5.909 -10.198 2.449 576 1HE2 GLN 74 HE21 GLN 74 -6.700 -12.325 4.634 577 2HE2 GLN 74 HE22 GLN 74 -6.699 -13.778 3.758 578 H LEU 75 HN LEU 75 -1.695 -9.249 2.858 579 HA LEU 75 HA LEU 75 0.578 -9.881 1.434 580 1HB LEU 75 HB2 LEU 75 -0.294 -7.656 2.589 581 2HB LEU 75 HB1 LEU 75 0.886 -8.093 3.820 582 HG LEU 75 HG LEU 75 1.421 -7.675 0.855 583 1HD1 LEU 75 HD11 LEU 75 2.516 -6.219 3.279 584 2HD1 LEU 75 HD12 LEU 75 1.129 -5.652 2.351 585 3HD1 LEU 75 HD13 LEU 75 2.714 -5.773 1.586 586 1HD2 LEU 75 HD21 LEU 75 3.157 -8.712 3.113 587 2HD2 LEU 75 HD22 LEU 75 3.846 -7.990 1.659 588 3HD2 LEU 75 HD23 LEU 75 2.867 -9.449 1.539 589 H ASP 76 HN ASP 76 0.716 -9.729 4.990 590 HA ASP 76 HA ASP 76 3.077 -10.609 5.800 591 1HB ASP 76 HB2 ASP 76 0.812 -10.635 7.060 592 2HB ASP 76 HB1 ASP 76 0.772 -12.345 6.654 593 H SER 77 HN SER 77 0.744 -13.183 5.086 594 HA SER 77 HA SER 77 2.836 -15.098 4.451 595 1HB SER 77 HB2 SER 77 -0.184 -15.203 4.370 596 2HB SER 77 HB1 SER 77 0.861 -16.577 3.993 597 HG SER 77 HG SER 77 1.241 -16.825 6.051 598 H LEU 78 HN LEU 78 0.592 -13.044 2.605 599 HA LEU 78 HA LEU 78 0.535 -14.455 0.244 600 1HB LEU 78 HB2 LEU 78 -0.309 -11.960 0.953 601 2HB LEU 78 HB1 LEU 78 1.026 -11.521 -0.112 602 HG LEU 78 HG LEU 78 -1.102 -13.509 -0.891 603 1HD1 LEU 78 HD11 LEU 78 -2.094 -11.251 -0.396 604 2HD1 LEU 78 HD12 LEU 78 -2.231 -11.705 -2.094 605 3HD1 LEU 78 HD13 LEU 78 -0.998 -10.552 -1.588 606 1HD2 LEU 78 HD21 LEU 78 0.946 -13.639 -2.196 607 2HD2 LEU 78 HD22 LEU 78 0.953 -11.890 -2.428 608 3HD2 LEU 78 HD23 LEU 78 -0.297 -12.875 -3.187 609 H ILE 79 HN ILE 79 2.992 -11.948 1.147 610 HA ILE 79 HA ILE 79 4.824 -12.368 -0.918 611 HB ILE 79 HB ILE 79 4.805 -11.380 1.902 612 1HG1 ILE 79 HG12 ILE 79 4.547 -9.851 -0.005 613 2HG1 ILE 79 HG11 ILE 79 6.009 -9.472 0.896 614 1HG2 ILE 79 HG21 ILE 79 7.336 -12.422 0.622 615 2HG2 ILE 79 HG22 ILE 79 6.708 -12.744 2.238 616 3HG2 ILE 79 HG23 ILE 79 7.360 -11.154 1.848 617 1HD1 ILE 79 HD11 ILE 79 5.690 -10.417 -1.876 618 2HD1 ILE 79 HD12 ILE 79 6.964 -11.248 -0.988 619 3HD1 ILE 79 HD13 ILE 79 7.002 -9.494 -1.150 620 H SER 80 HN SER 80 4.734 -13.948 2.318 621 HA SER 80 HA SER 80 6.767 -15.807 1.902 622 1HB SER 80 HB2 SER 80 4.147 -16.580 3.193 623 2HB SER 80 HB1 SER 80 5.761 -17.171 3.576 624 HG SER 80 HG SER 80 6.195 -14.851 4.064 625 H GLU 81 HN GLU 81 3.293 -16.289 1.026 626 HA GLU 81 HA GLU 81 3.893 -18.800 -0.272 627 1HB GLU 81 HB2 GLU 81 1.467 -16.998 -0.466 628 2HB GLU 81 HB1 GLU 81 1.554 -18.656 -1.062 629 1HG GLU 81 HG2 GLU 81 1.988 -19.478 1.203 630 2HG GLU 81 HG1 GLU 81 1.989 -17.826 1.822 631 H ALA 82 HN ALA 82 3.709 -15.431 -1.455 632 HA ALA 82 HA ALA 82 3.408 -16.321 -4.123 633 1HB ALA 82 HB1 ALA 82 4.203 -13.899 -4.715 634 2HB ALA 82 HB2 ALA 82 4.225 -13.654 -2.967 635 3HB ALA 82 HB3 ALA 82 2.720 -14.092 -3.777 636 H GLU 83 HN GLU 83 6.184 -15.082 -2.249 637 HA GLU 83 HA GLU 83 8.115 -15.148 -4.256 638 1HB GLU 83 HB2 GLU 83 8.408 -15.671 -1.280 639 2HB GLU 83 HB1 GLU 83 9.800 -15.566 -2.356 640 1HG GLU 83 HG2 GLU 83 9.006 -13.296 -3.067 641 2HG GLU 83 HG1 GLU 83 7.743 -13.402 -1.839 642 H THR 84 HN THR 84 6.826 -17.723 -2.241 643 HA THR 84 HA THR 84 8.634 -19.800 -2.921 644 HB THR 84 HB THR 84 5.847 -20.716 -2.830 645 HG1 THR 84 HG1 THR 84 5.846 -19.751 -0.521 646 1HG2 THR 84 HG21 THR 84 7.896 -20.843 -0.612 647 2HG2 THR 84 HG22 THR 84 8.003 -21.881 -2.035 648 3HG2 THR 84 HG23 THR 84 6.601 -21.986 -0.970 649 H ARG 85 HN ARG 85 5.655 -18.678 -4.517 650 HA ARG 85 HA ARG 85 5.308 -20.375 -6.600 651 1HB ARG 85 HB2 ARG 85 4.049 -18.712 -7.580 652 2HB ARG 85 HB1 ARG 85 4.306 -17.960 -6.014 653 1HG ARG 85 HG2 ARG 85 4.858 -16.233 -7.499 654 2HG ARG 85 HG1 ARG 85 6.433 -16.910 -7.114 655 1HD ARG 85 HD2 ARG 85 6.757 -17.153 -9.349 656 2HD ARG 85 HD1 ARG 85 5.528 -18.417 -9.328 657 HE ARG 85 HE ARG 85 4.055 -16.081 -9.485 658 1HH1 ARG 85 HH21 ARG 85 6.690 -17.503 -11.195 659 2HH1 ARG 85 HH22 ARG 85 6.256 -16.799 -12.717 660 1HH2 ARG 85 HH11 ARG 85 3.472 -15.155 -11.464 661 2HH2 ARG 85 HH12 ARG 85 4.434 -15.470 -12.869 662 H GLY 86 HN GLY 86 8.038 -18.127 -6.326 663 1HA GLY 86 HA2 GLY 86 10.145 -18.695 -7.409 664 2HA GLY 86 HA1 GLY 86 9.249 -19.454 -8.720 665 H ILE 87 HN ILE 87 9.305 -16.197 -7.175 666 HA ILE 87 HA ILE 87 8.641 -14.838 -9.643 667 HB ILE 87 HB ILE 87 10.039 -13.717 -7.195 668 1HG1 ILE 87 HG12 ILE 87 8.001 -14.909 -6.542 669 2HG1 ILE 87 HG11 ILE 87 7.790 -13.169 -6.348 670 1HG2 ILE 87 HG21 ILE 87 9.318 -12.471 -9.654 671 2HG2 ILE 87 HG22 ILE 87 9.858 -11.679 -8.176 672 3HG2 ILE 87 HG23 ILE 87 8.138 -11.914 -8.470 673 1HD1 ILE 87 HD11 ILE 87 6.652 -14.970 -8.494 674 2HD1 ILE 87 HD12 ILE 87 6.726 -13.225 -8.706 675 3HD1 ILE 87 HD13 ILE 87 5.788 -13.912 -7.386 676 H THR 88 HN THR 88 10.967 -12.909 -8.840 677 HA THR 88 HA THR 88 12.785 -13.786 -10.959 678 HB THR 88 HB THR 88 14.094 -11.702 -10.166 679 HG1 THR 88 HG1 THR 88 11.761 -10.858 -8.953 680 1HG2 THR 88 HG21 THR 88 12.548 -10.198 -11.290 681 2HG2 THR 88 HG22 THR 88 11.210 -11.311 -11.010 682 3HG2 THR 88 HG23 THR 88 12.516 -11.761 -12.106 683 H SER 89 HN SER 89 12.781 -15.761 -9.124 684 HA SER 89 HA SER 89 14.114 -16.966 -7.615 685 1HB SER 89 HB2 SER 89 15.639 -16.706 -9.625 686 2HB SER 89 HB1 SER 89 16.360 -15.318 -8.816 687 HG SER 89 HG SER 89 16.726 -16.811 -7.017 688 H TYR 90 HN TYR 90 13.184 -14.086 -7.017 689 HA TYR 90 HA TYR 90 13.578 -12.364 -5.445 690 1HB TYR 90 HB2 TYR 90 13.421 -13.548 -3.134 691 2HB TYR 90 HB1 TYR 90 12.119 -13.794 -4.309 692 HD1 TYR 90 HD1 TYR 90 11.842 -15.921 -5.461 693 HD2 TYR 90 HD2 TYR 90 15.078 -15.303 -2.704 694 HE1 TYR 90 HE1 TYR 90 12.284 -18.361 -5.432 695 HE2 TYR 90 HE2 TYR 90 15.519 -17.743 -2.674 696 HH TYR 90 HH TYR 90 13.361 -20.019 -4.263 697 H ASN 91 HN ASN 91 14.847 -11.306 -3.925 698 HA ASN 91 HA ASN 91 16.826 -12.372 -2.482 699 1HB ASN 91 HB2 ASN 91 18.614 -12.794 -3.869 700 2HB ASN 91 HB1 ASN 91 17.755 -12.057 -5.215 701 1HD2 ASN 91 HD21 ASN 91 18.642 -10.147 -6.026 702 2HD2 ASN 91 HD22 ASN 91 19.800 -9.200 -5.223 703 HA PRO 92 HA PRO 92 17.205 -7.602 -2.349 704 1HB PRO 92 HB2 PRO 92 14.789 -6.537 -3.582 705 2HB PRO 92 HB1 PRO 92 16.472 -6.176 -3.995 706 1HG PRO 92 HG2 PRO 92 14.658 -7.694 -5.577 707 2HG PRO 92 HG1 PRO 92 16.403 -7.557 -5.833 708 1HD PRO 92 HD2 PRO 92 14.871 -9.827 -4.750 709 2HD PRO 92 HD1 PRO 92 16.545 -9.807 -5.343 710 H LEU 93 HN LEU 93 14.077 -9.249 -2.491 711 HA LEU 93 HA LEU 93 12.769 -7.909 -0.332 712 1HB LEU 93 HB2 LEU 93 12.522 -10.889 -0.683 713 2HB LEU 93 HB1 LEU 93 11.278 -9.703 -0.283 714 HG LEU 93 HG LEU 93 12.041 -8.771 -2.743 715 1HD1 LEU 93 HD11 LEU 93 12.670 -10.435 -4.232 716 2HD1 LEU 93 HD12 LEU 93 12.030 -11.730 -3.225 717 3HD1 LEU 93 HD13 LEU 93 13.547 -10.941 -2.785 718 1HD2 LEU 93 HD21 LEU 93 10.021 -9.823 -3.629 719 2HD2 LEU 93 HD22 LEU 93 9.724 -9.285 -1.977 720 3HD2 LEU 93 HD23 LEU 93 10.018 -10.991 -2.309 721 H ALA 94 HN ALA 94 14.643 -10.852 -0.360 722 HA ALA 94 HA ALA 94 15.276 -11.984 1.868 723 1HB ALA 94 HB1 ALA 94 17.633 -11.737 1.650 724 2HB ALA 94 HB2 ALA 94 17.448 -10.220 0.772 725 3HB ALA 94 HB3 ALA 94 16.916 -11.740 0.037 726 H GLY 95 HN GLY 95 16.299 -8.601 1.567 727 1HA GLY 95 HA2 GLY 95 16.824 -8.177 4.381 728 2HA GLY 95 HA1 GLY 95 16.620 -6.913 3.158 729 HA PRO 96 HA PRO 96 12.892 -6.929 5.748 730 1HB PRO 96 HB2 PRO 96 12.593 -4.046 5.544 731 2HB PRO 96 HB1 PRO 96 13.090 -4.976 6.965 732 1HG PRO 96 HG2 PRO 96 14.764 -3.330 5.251 733 2HG PRO 96 HG1 PRO 96 15.241 -4.216 6.704 734 1HD PRO 96 HD2 PRO 96 15.813 -4.902 3.933 735 2HD PRO 96 HD1 PRO 96 16.354 -5.743 5.396 736 H LEU 97 HN LEU 97 10.489 -5.823 4.882 737 HA LEU 97 HA LEU 97 10.479 -6.312 2.006 738 1HB LEU 97 HB2 LEU 97 8.261 -5.270 3.814 739 2HB LEU 97 HB1 LEU 97 8.051 -5.834 2.162 740 HG LEU 97 HG LEU 97 7.389 -7.616 3.652 741 1HD1 LEU 97 HD11 LEU 97 8.916 -8.063 1.580 742 2HD1 LEU 97 HD12 LEU 97 8.618 -9.372 2.723 743 3HD1 LEU 97 HD13 LEU 97 10.138 -8.481 2.783 744 1HD2 LEU 97 HD21 LEU 97 8.553 -8.340 5.518 745 2HD2 LEU 97 HD22 LEU 97 9.025 -6.645 5.523 746 3HD2 LEU 97 HD23 LEU 97 10.122 -7.865 4.875 747 H ARG 98 HN ARG 98 9.534 -3.471 3.984 748 HA ARG 98 HA ARG 98 9.097 -1.523 2.167 749 1HB ARG 98 HB2 ARG 98 9.104 -0.649 4.303 750 2HB ARG 98 HB1 ARG 98 10.541 -1.549 4.776 751 1HG ARG 98 HG2 ARG 98 11.998 0.018 3.760 752 2HG ARG 98 HG1 ARG 98 10.698 0.750 2.825 753 1HD ARG 98 HD2 ARG 98 9.707 1.690 4.829 754 2HD ARG 98 HD1 ARG 98 10.874 0.842 5.848 755 HE ARG 98 HE ARG 98 12.464 2.338 4.154 756 1HH1 ARG 98 HH21 ARG 98 9.799 2.950 6.253 757 2HH1 ARG 98 HH22 ARG 98 10.290 4.570 6.618 758 1HH2 ARG 98 HH11 ARG 98 13.120 4.441 4.613 759 2HH2 ARG 98 HH12 ARG 98 12.173 5.417 5.683 760 H VAL 99 HN VAL 99 12.037 -3.169 2.688 761 HA VAL 99 HA VAL 99 13.787 -1.368 1.137 762 HB VAL 99 HB VAL 99 14.119 -3.909 2.689 763 1HG1 VAL 99 HG11 VAL 99 15.874 -3.190 0.312 764 2HG1 VAL 99 HG12 VAL 99 15.065 -4.726 0.623 765 3HG1 VAL 99 HG13 VAL 99 16.425 -4.224 1.630 766 1HG2 VAL 99 HG21 VAL 99 15.841 -1.434 2.267 767 2HG2 VAL 99 HG22 VAL 99 16.153 -2.695 3.453 768 3HG2 VAL 99 HG23 VAL 99 14.716 -1.686 3.599 769 H GLN 100 HN GLN 100 12.184 -4.496 0.627 770 HA GLN 100 HA GLN 100 13.185 -5.198 -1.855 771 1HB GLN 100 HB2 GLN 100 11.355 -6.611 -2.062 772 2HB GLN 100 HB1 GLN 100 11.239 -6.224 -0.350 773 1HG GLN 100 HG2 GLN 100 9.604 -4.412 -0.924 774 2HG GLN 100 HG1 GLN 100 9.641 -4.967 -2.599 775 1HE2 GLN 100 HE21 GLN 100 8.729 -7.105 -3.066 776 2HE2 GLN 100 HE22 GLN 100 7.703 -7.878 -1.956 777 H ALA 101 HN ALA 101 10.427 -2.933 -1.342 778 HA ALA 101 HA ALA 101 10.629 -2.176 -4.206 779 1HB ALA 101 HB1 ALA 101 8.559 -0.916 -3.797 780 2HB ALA 101 HB2 ALA 101 8.692 -1.230 -2.067 781 3HB ALA 101 HB3 ALA 101 8.395 -2.561 -3.185 782 H ASN 102 HN ASN 102 11.326 -0.697 -1.057 783 HA ASN 102 HA ASN 102 11.693 1.961 -2.161 784 1HB ASN 102 HB2 ASN 102 11.391 1.510 0.290 785 2HB ASN 102 HB1 ASN 102 13.000 0.782 0.314 786 1HD2 ASN 102 HD21 ASN 102 11.294 3.864 -0.352 787 2HD2 ASN 102 HD22 ASN 102 12.644 4.852 -0.062 788 H ASN 103 HN ASN 103 12.924 -0.020 -3.802 789 HA ASN 103 HA ASN 103 15.825 0.703 -3.547 790 1HB ASN 103 HB2 ASN 103 14.515 -1.900 -4.338 791 2HB ASN 103 HB1 ASN 103 16.198 -1.531 -4.721 792 1HD2 ASN 103 HD21 ASN 103 16.645 -3.438 -3.205 793 2HD2 ASN 103 HD22 ASN 103 16.704 -3.132 -1.537 794 HA PRO 104 HA PRO 104 14.072 2.355 -7.530 795 1HB PRO 104 HB2 PRO 104 16.472 4.053 -7.553 796 2HB PRO 104 HB1 PRO 104 14.770 4.537 -7.527 797 1HG PRO 104 HG2 PRO 104 16.568 4.737 -5.354 798 2HG PRO 104 HG1 PRO 104 14.806 4.876 -5.254 799 1HD PRO 104 HD2 PRO 104 16.525 2.673 -4.355 800 2HD PRO 104 HD1 PRO 104 14.805 2.946 -4.004 801 H GLN 105 HN GLN 105 17.348 1.278 -6.687 802 HA GLN 105 HA GLN 105 18.235 0.923 -9.405 803 1HB GLN 105 HB2 GLN 105 19.110 -0.576 -6.911 804 2HB GLN 105 HB1 GLN 105 19.995 -0.495 -8.435 805 1HG GLN 105 HG2 GLN 105 20.219 1.943 -8.193 806 2HG GLN 105 HG1 GLN 105 19.307 1.885 -6.684 807 1HE2 GLN 105 HE21 GLN 105 20.441 -0.412 -5.473 808 2HE2 GLN 105 HE22 GLN 105 22.083 -0.120 -5.158 809 H GLN 106 HN GLN 106 15.904 -0.650 -7.553 810 HA GLN 106 HA GLN 106 15.602 -2.763 -9.608 811 1HB GLN 106 HB2 GLN 106 15.641 -3.434 -6.648 812 2HB GLN 106 HB1 GLN 106 15.482 -4.562 -7.994 813 1HG GLN 106 HG2 GLN 106 17.759 -3.798 -8.786 814 2HG GLN 106 HG1 GLN 106 17.912 -2.903 -7.273 815 1HE2 GLN 106 HE21 GLN 106 18.581 -5.893 -8.696 816 2HE2 GLN 106 HE22 GLN 106 18.749 -6.816 -7.281 817 H GLN 107 HN GLN 107 13.803 -1.186 -10.001 818 HA GLN 107 HA GLN 107 11.703 -1.040 -7.944 819 1HB GLN 107 HB2 GLN 107 10.521 0.353 -9.626 820 2HB GLN 107 HB1 GLN 107 12.158 0.931 -9.316 821 1HG GLN 107 HG2 GLN 107 12.939 -0.327 -11.330 822 2HG GLN 107 HG1 GLN 107 11.263 -0.761 -11.666 823 1HE2 GLN 107 HE21 GLN 107 10.680 0.530 -13.437 824 2HE2 GLN 107 HE22 GLN 107 10.899 2.212 -13.512 825 H GLY 108 HN GLY 108 12.517 -3.355 -10.256 826 1HA GLY 108 HA2 GLY 108 10.184 -4.102 -11.571 827 2HA GLY 108 HA1 GLY 108 11.294 -5.283 -10.888 828 H LEU 109 HN LEU 109 11.094 -5.354 -8.432 829 HA LEU 109 HA LEU 109 8.612 -6.501 -7.619 830 1HB LEU 109 HB2 LEU 109 10.466 -4.973 -5.781 831 2HB LEU 109 HB1 LEU 109 9.365 -6.282 -5.353 832 HG LEU 109 HG LEU 109 11.921 -6.449 -6.970 833 1HD1 LEU 109 HD11 LEU 109 10.877 -7.815 -4.479 834 2HD1 LEU 109 HD12 LEU 109 12.176 -6.625 -4.560 835 3HD1 LEU 109 HD13 LEU 109 12.398 -8.226 -5.270 836 1HD2 LEU 109 HD21 LEU 109 9.632 -8.433 -6.778 837 2HD2 LEU 109 HD22 LEU 109 11.276 -8.937 -7.168 838 3HD2 LEU 109 HD23 LEU 109 10.422 -7.822 -8.234 839 H ARG 110 HN ARG 110 9.659 -3.101 -7.031 840 HA ARG 110 HA ARG 110 7.434 -2.207 -5.700 841 1HB ARG 110 HB2 ARG 110 9.203 -0.644 -6.183 842 2HB ARG 110 HB1 ARG 110 8.918 -0.760 -7.908 843 1HG ARG 110 HG2 ARG 110 7.959 1.312 -7.221 844 2HG ARG 110 HG1 ARG 110 6.596 0.240 -7.480 845 1HD ARG 110 HD2 ARG 110 6.649 -0.249 -4.979 846 2HD ARG 110 HD1 ARG 110 7.833 1.048 -4.836 847 HE ARG 110 HE ARG 110 5.730 2.215 -6.200 848 1HH1 ARG 110 HH21 ARG 110 6.137 0.422 -3.285 849 2HH1 ARG 110 HH22 ARG 110 4.816 1.193 -2.471 850 1HH2 ARG 110 HH11 ARG 110 4.000 3.227 -5.157 851 2HH2 ARG 110 HH12 ARG 110 3.606 2.780 -3.530 852 H ARG 111 HN ARG 111 7.486 -2.964 -9.184 853 HA ARG 111 HA ARG 111 4.663 -2.073 -9.430 854 1HB ARG 111 HB2 ARG 111 6.213 -3.637 -11.507 855 2HB ARG 111 HB1 ARG 111 4.812 -2.602 -11.753 856 1HG ARG 111 HG2 ARG 111 6.253 -0.912 -12.273 857 2HG ARG 111 HG1 ARG 111 6.732 -0.886 -10.578 858 1HD ARG 111 HD2 ARG 111 8.755 -1.165 -11.804 859 2HD ARG 111 HD1 ARG 111 8.366 -2.762 -11.171 860 HE ARG 111 HE ARG 111 7.164 -2.739 -13.664 861 1HH1 ARG 111 HH21 ARG 111 10.306 -2.095 -12.403 862 2HH1 ARG 111 HH22 ARG 111 11.132 -2.619 -13.831 863 1HH2 ARG 111 HH11 ARG 111 8.225 -3.431 -15.535 864 2HH2 ARG 111 HH12 ARG 111 9.954 -3.376 -15.604 865 H GLU 112 HN GLU 112 6.464 -5.093 -9.090 866 HA GLU 112 HA GLU 112 4.072 -6.704 -9.511 867 1HB GLU 112 HB2 GLU 112 6.487 -7.544 -9.704 868 2HB GLU 112 HB1 GLU 112 6.527 -7.524 -7.940 869 1HG GLU 112 HG2 GLU 112 4.505 -8.998 -7.923 870 2HG GLU 112 HG1 GLU 112 4.613 -9.103 -9.681 871 H TYR 113 HN TYR 113 5.846 -5.450 -6.745 872 HA TYR 113 HA TYR 113 4.425 -6.534 -4.603 873 1HB TYR 113 HB2 TYR 113 6.324 -5.015 -4.273 874 2HB TYR 113 HB1 TYR 113 5.384 -3.671 -4.922 875 HD1 TYR 113 HD1 TYR 113 3.606 -2.629 -3.633 876 HD2 TYR 113 HD2 TYR 113 5.791 -5.984 -2.076 877 HE1 TYR 113 HE1 TYR 113 2.669 -2.194 -1.378 878 HE2 TYR 113 HE2 TYR 113 4.853 -5.549 0.178 879 HH TYR 113 HH TYR 113 3.887 -3.706 1.440 880 H GLN 114 HN GLN 114 3.651 -3.278 -5.920 881 HA GLN 114 HA GLN 114 1.198 -2.901 -4.764 882 1HB GLN 114 HB2 GLN 114 0.548 -1.620 -6.843 883 2HB GLN 114 HB1 GLN 114 2.105 -1.172 -6.145 884 1HG GLN 114 HG2 GLN 114 3.233 -2.683 -7.746 885 2HG GLN 114 HG1 GLN 114 1.674 -3.054 -8.480 886 1HE2 GLN 114 HE21 GLN 114 2.178 -2.043 -10.535 887 2HE2 GLN 114 HE22 GLN 114 2.358 -0.362 -10.689 888 H GLN 115 HN GLN 115 1.843 -4.948 -7.582 889 HA GLN 115 HA GLN 115 -0.868 -5.465 -8.289 890 1HB GLN 115 HB2 GLN 115 1.279 -6.113 -9.562 891 2HB GLN 115 HB1 GLN 115 1.341 -7.519 -8.500 892 1HG GLN 115 HG2 GLN 115 -0.913 -8.184 -9.223 893 2HG GLN 115 HG1 GLN 115 -1.002 -6.767 -10.270 894 1HE2 GLN 115 HE21 GLN 115 1.387 -6.685 -11.582 895 2HE2 GLN 115 HE22 GLN 115 1.682 -8.127 -12.428 896 H LEU 116 HN LEU 116 1.294 -7.097 -5.975 897 HA LEU 116 HA LEU 116 -0.840 -8.965 -5.166 898 1HB LEU 116 HB2 LEU 116 1.805 -8.504 -3.769 899 2HB LEU 116 HB1 LEU 116 0.803 -9.955 -3.748 900 HG LEU 116 HG LEU 116 2.239 -8.848 -6.182 901 1HD1 LEU 116 HD11 LEU 116 3.561 -10.985 -5.938 902 2HD1 LEU 116 HD12 LEU 116 2.800 -11.205 -4.363 903 3HD1 LEU 116 HD13 LEU 116 3.839 -9.810 -4.653 904 1HD2 LEU 116 HD21 LEU 116 1.566 -11.176 -7.070 905 2HD2 LEU 116 HD22 LEU 116 0.286 -9.970 -6.954 906 3HD2 LEU 116 HD23 LEU 116 0.426 -11.228 -5.725 907 H TRP 117 HN TRP 117 0.233 -5.821 -4.357 908 HA TRP 117 HA TRP 117 -0.782 -5.878 -1.606 909 1HB TRP 117 HB2 TRP 117 1.123 -4.362 -2.677 910 2HB TRP 117 HB1 TRP 117 -0.236 -3.333 -3.117 911 HD1 TRP 117 HD1 TRP 117 1.058 -5.111 0.069 912 HE1 TRP 117 HE1 TRP 117 0.612 -3.554 2.076 913 HE3 TRP 117 HE3 TRP 117 -1.310 -1.268 -2.311 914 HZ2 TRP 117 HZ2 TRP 117 -0.597 -1.012 2.600 915 HZ3 TRP 117 HZ3 TRP 117 -2.099 0.707 -1.039 916 HH2 TRP 117 HH2 TRP 117 -1.746 0.840 1.412 917 H LEU 118 HN LEU 118 -1.866 -4.726 -4.813 918 HA LEU 118 HA LEU 118 -4.298 -3.477 -3.779 919 1HB LEU 118 HB2 LEU 118 -3.542 -4.419 -6.567 920 2HB LEU 118 HB1 LEU 118 -4.964 -3.453 -6.174 921 HG LEU 118 HG LEU 118 -2.179 -2.534 -5.418 922 1HD1 LEU 118 HD11 LEU 118 -3.650 -1.872 -7.986 923 2HD1 LEU 118 HD12 LEU 118 -2.258 -2.949 -7.875 924 3HD1 LEU 118 HD13 LEU 118 -2.080 -1.237 -7.484 925 1HD2 LEU 118 HD21 LEU 118 -4.875 -1.187 -5.762 926 2HD2 LEU 118 HD22 LEU 118 -3.371 -0.275 -5.675 927 3HD2 LEU 118 HD23 LEU 118 -3.878 -1.262 -4.309 928 H ALA 119 HN ALA 119 -3.411 -6.742 -4.868 929 HA ALA 119 HA ALA 119 -6.163 -7.738 -4.807 930 1HB ALA 119 HB1 ALA 119 -4.137 -9.055 -5.687 931 2HB ALA 119 HB2 ALA 119 -5.166 -9.940 -4.561 932 3HB ALA 119 HB3 ALA 119 -3.642 -9.247 -4.006 933 H ALA 120 HN ALA 120 -3.714 -8.383 -2.249 934 HA ALA 120 HA ALA 120 -5.513 -8.866 -0.214 935 1HB ALA 120 HB1 ALA 120 -3.246 -9.106 0.356 936 2HB ALA 120 HB2 ALA 120 -3.747 -7.699 1.301 937 3HB ALA 120 HB3 ALA 120 -2.839 -7.482 -0.197 938 H PHE 121 HN PHE 121 -5.439 -5.908 -1.943 939 HA PHE 121 HA PHE 121 -6.709 -4.473 0.365 940 1HB PHE 121 HB2 PHE 121 -4.644 -3.495 -1.006 941 2HB PHE 121 HB1 PHE 121 -5.903 -3.025 -2.142 942 HD1 PHE 121 HD1 PHE 121 -7.902 -1.679 -1.227 943 HD2 PHE 121 HD2 PHE 121 -4.246 -2.247 0.956 944 HE1 PHE 121 HE1 PHE 121 -8.468 0.246 0.227 945 HE2 PHE 121 HE2 PHE 121 -4.811 -0.317 2.405 946 HZ PHE 121 HZ PHE 121 -6.923 0.930 2.041 947 H ALA 122 HN ALA 122 -7.285 -5.765 -2.803 948 HA ALA 122 HA ALA 122 -9.999 -4.454 -2.891 949 1HB ALA 122 HB1 ALA 122 -8.834 -6.258 -5.015 950 2HB ALA 122 HB2 ALA 122 -8.367 -4.562 -4.954 951 3HB ALA 122 HB3 ALA 122 -10.063 -5.008 -5.193 952 H ALA 123 HN ALA 123 -8.549 -7.560 -2.298 953 HA ALA 123 HA ALA 123 -11.285 -8.755 -2.375 954 1HB ALA 123 HB1 ALA 123 -9.261 -10.092 -3.110 955 2HB ALA 123 HB2 ALA 123 -10.166 -10.841 -1.795 956 3HB ALA 123 HB3 ALA 123 -8.660 -9.988 -1.455 957 H LEU 124 HN LEU 124 -10.205 -6.505 -0.617 958 HA LEU 124 HA LEU 124 -9.786 -7.551 1.900 959 1HB LEU 124 HB2 LEU 124 -9.929 -4.938 0.754 960 2HB LEU 124 HB1 LEU 124 -10.780 -4.872 2.290 961 HG LEU 124 HG LEU 124 -8.007 -6.014 1.952 962 1HD1 LEU 124 HD11 LEU 124 -7.078 -3.961 2.581 963 2HD1 LEU 124 HD12 LEU 124 -8.583 -3.378 3.287 964 3HD1 LEU 124 HD13 LEU 124 -8.394 -3.433 1.538 965 1HD2 LEU 124 HD21 LEU 124 -9.585 -5.207 4.408 966 2HD2 LEU 124 HD22 LEU 124 -7.927 -5.799 4.412 967 3HD2 LEU 124 HD23 LEU 124 -9.234 -6.860 3.918 968 HA PRO 125 HA PRO 125 -14.342 -5.939 2.984 969 1HB PRO 125 HB2 PRO 125 -16.011 -5.808 0.741 970 2HB PRO 125 HB1 PRO 125 -15.263 -4.442 1.586 971 1HG PRO 125 HG2 PRO 125 -14.497 -5.683 -1.000 972 2HG PRO 125 HG1 PRO 125 -14.185 -4.044 -0.404 973 1HD PRO 125 HD2 PRO 125 -12.291 -6.083 -0.513 974 2HD PRO 125 HD1 PRO 125 -12.174 -4.638 0.496 975 H GLY 126 HN GLY 126 -13.340 -8.366 2.920 976 1HA GLY 126 HA2 GLY 126 -15.454 -9.977 3.519 977 2HA GLY 126 HA1 GLY 126 -15.213 -10.304 1.788 978 H SER 127 HN SER 127 -12.145 -9.795 2.298 979 HA SER 127 HA SER 127 -11.635 -12.522 3.432 980 1HB SER 127 HB2 SER 127 -11.006 -11.753 1.011 981 2HB SER 127 HB1 SER 127 -9.677 -10.924 1.814 982 HG SER 127 HG SER 127 -8.946 -12.853 2.580 983 H ALA 128 HN ALA 128 -11.404 -9.249 4.371 984 HA ALA 128 HA ALA 128 -9.898 -9.801 6.726 985 1HB ALA 128 HB1 ALA 128 -7.900 -10.169 5.558 986 2HB ALA 128 HB2 ALA 128 -7.774 -8.453 5.910 987 3HB ALA 128 HB3 ALA 128 -8.294 -8.987 4.312 988 H LYS 129 HN LYS 129 -12.143 -8.209 6.136 989 HA LYS 129 HA LYS 129 -11.170 -5.487 6.895 990 1HB LYS 129 HB2 LYS 129 -11.801 -5.969 4.397 991 2HB LYS 129 HB1 LYS 129 -13.443 -5.856 4.980 992 1HG LYS 129 HG2 LYS 129 -12.772 -3.570 5.941 993 2HG LYS 129 HG1 LYS 129 -11.303 -3.736 4.998 994 1HD LYS 129 HD2 LYS 129 -12.881 -4.202 2.999 995 2HD LYS 129 HD1 LYS 129 -14.147 -3.531 4.026 996 1HE LYS 129 HE2 LYS 129 -13.076 -1.854 2.501 997 2HE LYS 129 HE1 LYS 129 -12.946 -1.429 4.209 998 1HZ LYS 129 HZ1 LYS 129 -10.748 -1.491 4.071 999 2HZ LYS 129 HZ2 LYS 129 -10.891 -1.685 2.389 1000 3HZ LYS 129 HZ3 LYS 129 -10.764 -3.047 3.397 1001 H ASP 130 HN ASP 130 -13.802 -4.469 6.666 1002 HA ASP 130 HA ASP 130 -15.910 -5.743 7.984 1003 1HB ASP 130 HB2 ASP 130 -14.581 -6.030 9.973 1004 2HB ASP 130 HB1 ASP 130 -13.949 -4.388 9.865 1005 HA PRO 131 HA PRO 131 -16.320 -1.338 6.489 1006 1HB PRO 131 HB2 PRO 131 -17.845 -1.882 4.267 1007 2HB PRO 131 HB1 PRO 131 -16.074 -1.917 4.259 1008 1HG PRO 131 HG2 PRO 131 -17.992 -4.203 4.224 1009 2HG PRO 131 HG1 PRO 131 -16.346 -4.117 3.588 1010 1HD PRO 131 HD2 PRO 131 -17.133 -5.316 6.046 1011 2HD PRO 131 HD1 PRO 131 -15.474 -4.978 5.530 1012 H SER 132 HN SER 132 -18.726 -3.833 5.962 1013 HA SER 132 HA SER 132 -20.730 -3.467 7.823 1014 1HB SER 132 HB2 SER 132 -22.264 -1.865 6.377 1015 2HB SER 132 HB1 SER 132 -21.101 -1.175 7.500 1016 HG SER 132 HG SER 132 -21.099 -1.254 4.722 1017 H TRP 133 HN TRP 133 -19.597 -5.303 5.844 1018 HA TRP 133 HA TRP 133 -20.347 -7.015 4.445 1019 1HB TRP 133 HB2 TRP 133 -23.183 -6.148 5.019 1020 2HB TRP 133 HB1 TRP 133 -22.569 -7.770 4.704 1021 HD1 TRP 133 HD1 TRP 133 -20.135 -7.797 6.695 1022 HE1 TRP 133 HE1 TRP 133 -20.556 -7.893 9.237 1023 HE3 TRP 133 HE3 TRP 133 -24.928 -6.040 6.864 1024 HZ2 TRP 133 HZ2 TRP 133 -22.648 -7.302 11.096 1025 HZ3 TRP 133 HZ3 TRP 133 -26.109 -5.817 9.031 1026 HH2 TRP 133 HH2 TRP 133 -24.976 -6.446 11.145 1027 H ALA 134 HN ALA 134 -19.623 -6.174 2.517 1028 HA ALA 134 HA ALA 134 -21.551 -5.511 0.514 1029 1HB ALA 134 HB1 ALA 134 -21.777 -3.342 1.483 1030 2HB ALA 134 HB2 ALA 134 -20.689 -3.125 0.113 1031 3HB ALA 134 HB3 ALA 134 -20.040 -3.201 1.751
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