NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
1971 | 1ba5 | 4210 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 H3 ARG 1 -15.999 13.286 -2.990 2 2H ARG 1 H1 ARG 1 -16.633 14.805 -3.097 3 3H ARG 1 H2 ARG 1 -16.412 13.905 -4.462 4 HA ARG 1 HA ARG 1 -14.074 13.959 -4.245 5 1HB ARG 1 H ARG 1 -15.398 16.694 -4.017 6 2HB ARG 1 H ARG 1 -13.706 16.427 -4.507 7 1HG ARG 1 H ARG 1 -14.550 14.938 -6.369 8 2HG ARG 1 H ARG 1 -16.209 15.404 -5.924 9 1HD ARG 1 H ARG 1 -15.532 16.847 -7.727 10 2HD ARG 1 H ARG 1 -15.519 17.825 -6.242 11 HE ARG 1 H ARG 1 -12.924 16.734 -6.595 12 1HH1 ARG 1 H ARG 1 -15.131 19.028 -8.151 13 2HH1 ARG 1 H ARG 1 -13.852 20.009 -8.828 14 1HH2 ARG 1 H ARG 1 -11.239 18.027 -7.503 15 2HH2 ARG 1 H ARG 1 -11.632 19.438 -8.458 16 H LYS 2 H LYS 2 -14.140 16.905 -2.487 17 HA LYS 2 HA LYS 2 -13.228 17.570 -0.514 18 1HB LYS 2 H LYS 2 -14.326 14.882 0.401 19 2HB LYS 2 H LYS 2 -13.561 16.045 1.499 20 1HG LYS 2 H LYS 2 -15.917 16.741 -0.310 21 2HG LYS 2 H LYS 2 -16.094 16.192 1.373 22 1HD LYS 2 H LYS 2 -14.385 18.122 1.915 23 2HD LYS 2 H LYS 2 -14.872 18.765 0.330 24 1HE LYS 2 H LYS 2 -16.766 18.072 2.622 25 2HE LYS 2 H LYS 2 -16.237 19.710 2.185 26 1HZ LYS 2 H LYS 2 -17.257 19.396 0.043 27 2HZ LYS 2 H LYS 2 -17.768 17.885 0.467 28 3HZ LYS 2 H LYS 2 -18.363 19.208 1.254 29 H ARG 3 H ARG 3 -12.454 14.091 -0.046 30 HA ARG 3 HA ARG 3 -9.645 14.567 -0.785 31 1HB ARG 3 H ARG 3 -9.802 15.316 1.585 32 2HB ARG 3 H ARG 3 -10.476 13.730 2.030 33 1HG ARG 3 H ARG 3 -8.419 12.610 1.297 34 2HG ARG 3 H ARG 3 -7.751 14.156 0.718 35 1HD ARG 3 H ARG 3 -7.801 15.055 3.011 36 2HD ARG 3 H ARG 3 -8.526 13.541 3.603 37 HE ARG 3 H ARG 3 -6.118 12.892 2.251 38 1HH1 ARG 3 H ARG 3 -7.228 14.597 5.152 39 2HH1 ARG 3 H ARG 3 -5.772 14.274 6.065 40 1HH2 ARG 3 H ARG 3 -4.199 12.468 3.462 41 2HH2 ARG 3 H ARG 3 -4.048 13.053 5.103 42 H GLN 4 H GLN 4 -9.178 12.862 -2.050 43 HA GLN 4 HA GLN 4 -10.755 10.445 -1.997 44 1HB GLN 4 HB1 GLN 4 -9.155 9.679 -3.729 45 2HB GLN 4 HB2 GLN 4 -9.773 11.309 -4.078 46 1HG GLN 4 HG1 GLN 4 -7.725 12.336 -3.285 47 2HG GLN 4 HG2 GLN 4 -7.132 10.791 -2.643 48 1HE2 GLN 4 HE21 GLN 4 -7.191 11.338 -6.768 49 2HE2 GLN 4 HE22 GLN 4 -8.405 12.102 -5.767 50 H ALA 5 H ALA 5 -9.834 8.255 -1.693 51 HA ALA 5 HA ALA 5 -7.401 7.978 -0.119 52 1HB ALA 5 HB3 ALA 5 -8.977 8.741 1.625 53 2HB ALA 5 HB1 ALA 5 -10.120 7.459 1.163 54 3HB ALA 5 HB2 ALA 5 -8.543 7.033 1.870 55 H TRP 6 H TRP 6 -7.049 5.644 0.451 56 HA TRP 6 HA TRP 6 -7.814 3.958 -1.804 57 1HB TRP 6 HB2 TRP 6 -6.126 3.613 0.690 58 2HB TRP 6 HB1 TRP 6 -6.466 2.267 -0.399 59 HD1 TRP 6 HD1 TRP 6 -5.913 5.484 -2.213 60 HE1 TRP 6 HE1 TRP 6 -3.593 5.522 -3.333 61 HE3 TRP 6 HE3 TRP 6 -3.887 1.356 0.017 62 HZ2 TRP 6 HZ2 TRP 6 -1.186 3.966 -3.253 63 HZ3 TRP 6 HZ3 TRP 6 -1.573 0.667 -0.529 64 HH2 TRP 6 HH2 TRP 6 -0.215 1.975 -2.143 65 H LEU 7 H LEU 7 -8.515 1.616 -1.271 66 HA LEU 7 HA LEU 7 -10.883 1.787 0.496 67 1HB LEU 7 HB2 LEU 7 -11.561 -0.321 -0.632 68 2HB LEU 7 HB1 LEU 7 -11.293 1.011 -1.776 69 HG LEU 7 HG LEU 7 -8.861 -0.578 -1.250 70 1HD1 LEU 7 HD12 LEU 7 -11.255 -1.888 -2.606 71 2HD1 LEU 7 HD11 LEU 7 -9.600 -2.542 -2.564 72 3HD1 LEU 7 HD13 LEU 7 -10.534 -2.389 -1.058 73 1HD2 LEU 7 HD22 LEU 7 -9.103 1.113 -3.065 74 2HD2 LEU 7 HD21 LEU 7 -8.735 -0.500 -3.718 75 3HD2 LEU 7 HD23 LEU 7 -10.396 0.132 -3.790 76 H TRP 8 H TRP 8 -11.401 -0.234 1.770 77 HA TRP 8 HA TRP 8 -9.504 -0.577 3.785 78 1HB TRP 8 HB1 TRP 8 -10.961 -2.326 4.610 79 2HB TRP 8 HB2 TRP 8 -11.928 -0.984 3.986 80 HD1 TRP 8 HD1 TRP 8 -13.203 -1.405 1.650 81 HE1 TRP 8 HE1 TRP 8 -14.129 -3.537 0.541 82 HE3 TRP 8 HE3 TRP 8 -10.566 -4.902 4.304 83 HZ2 TRP 8 HZ2 TRP 8 -13.770 -6.359 0.778 84 HZ3 TRP 8 HZ3 TRP 8 -10.894 -7.316 3.828 85 HH2 TRP 8 HH2 TRP 8 -12.487 -8.049 2.072 86 H GLU 9 H GLU 9 -10.228 -2.844 1.042 87 HA GLU 9 HA GLU 9 -8.439 -4.860 1.940 88 1HB GLU 9 H GLU 9 -10.325 -4.960 0.146 89 2HB GLU 9 H GLU 9 -9.072 -4.384 -0.980 90 1HG GLU 9 H GLU 9 -7.679 -6.352 0.273 91 2HG GLU 9 H GLU 9 -9.318 -7.011 0.442 92 H GLU 10 H GLU 10 -7.979 -2.133 -0.369 93 HA GLU 10 HA GLU 10 -5.368 -2.850 -1.190 94 1HB GLU 10 H GLU 10 -7.024 -1.093 -2.130 95 2HB GLU 10 H GLU 10 -6.329 0.011 -0.924 96 1HG GLU 10 H GLU 10 -4.096 -0.349 -1.857 97 2HG GLU 10 H GLU 10 -4.730 -1.574 -2.975 98 H ASP 11 H ASP 11 -6.490 -0.717 1.505 99 HA ASP 11 HA ASP 11 -3.891 0.030 2.407 100 1HB ASP 11 H ASP 11 -5.956 1.172 3.107 101 2HB ASP 11 H ASP 11 -6.509 -0.300 3.933 102 H LYS 12 H LYS 12 -6.114 -2.609 3.419 103 HA LYS 12 HA LYS 12 -4.505 -3.763 5.416 104 1HB LYS 12 H LYS 12 -6.868 -4.309 5.033 105 2HB LYS 12 H LYS 12 -6.470 -5.036 3.470 106 1HG LYS 12 H LYS 12 -4.976 -6.069 5.857 107 2HG LYS 12 H LYS 12 -6.700 -6.472 5.775 108 1HD LYS 12 H LYS 12 -4.581 -7.102 3.659 109 2HD LYS 12 H LYS 12 -5.396 -8.260 4.723 110 1HE LYS 12 H LYS 12 -6.513 -6.746 2.349 111 2HE LYS 12 H LYS 12 -6.560 -8.483 2.691 112 1HZ LYS 12 H LYS 12 -8.089 -8.015 4.478 113 2HZ LYS 12 H LYS 12 -8.070 -6.406 4.115 114 3HZ LYS 12 H LYS 12 -8.679 -7.488 3.031 115 H ASN 13 H ASN 13 -4.568 -4.339 1.866 116 HA ASN 13 HA ASN 13 -2.766 -6.519 1.794 117 1HB ASN 13 HB2 ASN 13 -3.405 -4.303 -0.189 118 2HB ASN 13 HB1 ASN 13 -2.325 -5.650 -0.569 119 1HD2 ASN 13 HD22 ASN 13 -5.785 -6.505 -1.767 120 2HD2 ASN 13 HD21 ASN 13 -4.488 -5.392 -2.180 121 H LEU 14 H LEU 14 -2.141 -2.990 1.374 122 HA LEU 14 HA LEU 14 0.658 -3.185 1.079 123 1HB LEU 14 HB2 LEU 14 -0.752 -1.178 0.616 124 2HB LEU 14 HB1 LEU 14 -0.973 -0.942 2.359 125 HG LEU 14 HG LEU 14 1.813 -1.126 1.151 126 1HD1 LEU 14 HD13 LEU 14 0.067 1.360 1.406 127 2HD1 LEU 14 HD11 LEU 14 1.799 1.355 0.999 128 3HD1 LEU 14 HD12 LEU 14 0.625 0.619 -0.108 129 1HD2 LEU 14 HD21 LEU 14 0.555 -0.120 3.710 130 2HD2 LEU 14 HD22 LEU 14 2.001 -1.133 3.488 131 3HD2 LEU 14 HD23 LEU 14 2.072 0.601 3.139 132 H ARG 15 H ARG 15 -1.207 -2.334 4.055 133 HA ARG 15 HA ARG 15 0.980 -2.214 5.792 134 1HB ARG 15 H ARG 15 -1.320 -1.419 6.264 135 2HB ARG 15 H ARG 15 -1.872 -3.103 6.395 136 1HG ARG 15 H ARG 15 -0.580 -3.492 8.358 137 2HG ARG 15 H ARG 15 0.423 -2.048 8.082 138 1HD ARG 15 H ARG 15 -1.569 -0.606 8.441 139 2HD ARG 15 H ARG 15 -2.552 -2.047 8.763 140 HE ARG 15 H ARG 15 -0.605 -0.773 10.547 141 1HH1 ARG 15 H ARG 15 -2.333 -3.771 9.775 142 2HH1 ARG 15 H ARG 15 -2.298 -4.371 11.415 143 1HH2 ARG 15 H ARG 15 -0.573 -1.569 12.710 144 2HH2 ARG 15 H ARG 15 -1.272 -3.126 13.085 145 H SER 16 H SER 16 -1.207 -5.042 5.229 146 HA SER 16 HA SER 16 0.162 -6.785 7.008 147 1HB SER 16 HB1 SER 16 -2.156 -7.114 6.158 148 2HB SER 16 HB2 SER 16 -1.495 -7.462 4.541 149 HG SER 16 HG SER 16 -1.069 -8.909 6.948 150 H GLY 17 H GLY 17 0.694 -6.043 3.544 151 1HA GLY 17 HA2 GLY 17 2.484 -8.300 3.156 152 2HA GLY 17 HA1 GLY 17 2.178 -6.964 2.030 153 H VAL 18 H VAL 18 3.013 -4.738 3.047 154 HA VAL 18 HA VAL 18 5.779 -4.780 2.805 155 HB VAL 18 HB VAL 18 3.954 -2.768 4.185 156 1HG1 VAL 18 HG11 VAL 18 6.866 -2.603 3.319 157 2HG1 VAL 18 HG12 VAL 18 5.859 -1.174 3.635 158 3HG1 VAL 18 HG13 VAL 18 6.200 -2.324 4.945 159 1HG2 VAL 18 HG21 VAL 18 5.155 -2.904 1.379 160 2HG2 VAL 18 HG22 VAL 18 3.452 -3.198 1.788 161 3HG2 VAL 18 HG23 VAL 18 4.149 -1.581 2.011 162 H ARG 19 H ARG 19 3.845 -4.865 5.857 163 HA ARG 19 HA ARG 19 6.028 -4.437 7.597 164 1HB ARG 19 H ARG 19 4.581 -5.197 9.358 165 2HB ARG 19 H ARG 19 3.597 -4.297 8.188 166 1HG ARG 19 H ARG 19 2.220 -6.118 8.325 167 2HG ARG 19 H ARG 19 3.364 -6.828 7.171 168 1HD ARG 19 H ARG 19 3.009 -8.402 8.995 169 2HD ARG 19 H ARG 19 4.660 -7.765 9.117 170 HE ARG 19 H ARG 19 2.842 -6.178 10.683 171 1HH1 ARG 19 H ARG 19 4.514 -9.301 10.617 172 2HH1 ARG 19 H ARG 19 4.567 -9.463 12.356 173 1HH2 ARG 19 H ARG 19 2.951 -6.381 12.982 174 2HH2 ARG 19 H ARG 19 3.675 -7.798 13.705 175 H LYS 20 H LYS 20 5.018 -7.446 5.930 176 HA LYS 20 HA LYS 20 6.953 -8.944 7.630 177 1HB LYS 20 H LYS 20 5.902 -10.974 6.764 178 2HB LYS 20 H LYS 20 4.698 -9.891 7.493 179 1HG LYS 20 H LYS 20 3.961 -9.143 5.299 180 2HG LYS 20 H LYS 20 5.268 -10.037 4.497 181 1HD LYS 20 H LYS 20 4.342 -12.163 5.179 182 2HD LYS 20 H LYS 20 3.154 -11.373 6.240 183 1HE LYS 20 H LYS 20 3.174 -10.641 3.318 184 2HE LYS 20 H LYS 20 2.492 -12.212 3.788 185 1HZ LYS 20 H LYS 20 1.668 -9.617 4.896 186 2HZ LYS 20 H LYS 20 0.848 -10.464 3.737 187 3HZ LYS 20 H LYS 20 1.011 -11.086 5.257 188 H TYR 21 H TYR 21 6.463 -7.793 4.301 189 HA TYR 21 HA TYR 21 8.591 -9.544 3.292 190 1HB TYR 21 HB2 TYR 21 6.904 -7.353 2.051 191 2HB TYR 21 HB1 TYR 21 8.210 -8.173 1.180 192 HD1 TYR 21 HD1 TYR 21 7.994 -10.974 1.802 193 HD2 TYR 21 HD2 TYR 21 4.834 -8.101 1.281 194 HE1 TYR 21 HE1 TYR 21 6.433 -12.798 1.178 195 HE2 TYR 21 HE2 TYR 21 3.281 -9.922 0.640 196 HH TYR 21 HH TYR 21 4.307 -13.346 0.525 197 H GLY 22 H GLY 22 8.149 -5.944 3.585 198 1HA GLY 22 HA1 GLY 22 10.417 -5.202 4.826 199 2HA GLY 22 HA2 GLY 22 11.051 -5.592 3.211 200 H GLU 23 H GLU 23 10.905 -2.986 4.630 201 HA GLU 23 HA GLU 23 8.870 -1.428 3.211 202 1HB GLU 23 H GLU 23 11.196 -0.440 4.910 203 2HB GLU 23 H GLU 23 9.679 0.410 4.531 204 1HG GLU 23 H GLU 23 8.478 -1.549 5.699 205 2HG GLU 23 H GLU 23 10.076 -2.027 6.310 206 H GLY 24 H GLY 24 10.182 -2.615 1.228 207 1HA GLY 24 HA1 GLY 24 11.136 -0.614 -0.441 208 2HA GLY 24 HA2 GLY 24 12.584 -1.266 0.359 209 H ASN 25 H ASN 25 9.541 -2.880 -0.660 210 HA ASN 25 HA ASN 25 10.924 -4.316 -2.813 211 1HB ASN 25 HB1 ASN 25 11.424 -5.585 -0.690 212 2HB ASN 25 HB2 ASN 25 9.679 -5.792 -0.449 213 1HD2 ASN 25 HD21 ASN 25 11.044 -7.597 -3.923 214 2HD2 ASN 25 HD22 ASN 25 11.434 -5.927 -3.593 215 H TRP 26 H TRP 26 9.116 -2.433 -3.158 216 HA TRP 26 HA TRP 26 6.375 -3.076 -2.894 217 1HB TRP 26 HB2 TRP 26 7.460 -1.353 -5.110 218 2HB TRP 26 HB1 TRP 26 6.021 -1.119 -4.111 219 HD1 TRP 26 HD1 TRP 26 9.259 0.311 -4.581 220 HE1 TRP 26 HE1 TRP 26 10.167 1.577 -2.532 221 HE3 TRP 26 HE3 TRP 26 6.022 -1.470 -1.037 222 HZ2 TRP 26 HZ2 TRP 26 9.582 1.760 0.257 223 HZ3 TRP 26 HZ3 TRP 26 6.234 -0.711 1.314 224 HH2 TRP 26 HH2 TRP 26 8.008 0.894 1.968 225 H SER 27 H SER 27 8.764 -3.986 -5.354 226 HA SER 27 HA SER 27 6.997 -4.674 -7.456 227 1HB SER 27 HB1 SER 27 9.661 -5.894 -6.612 228 2HB SER 27 HB2 SER 27 8.853 -6.193 -8.170 229 HG SER 27 HG SER 27 9.480 -3.596 -7.216 230 H LYS 28 H LYS 28 8.282 -6.644 -4.724 231 HA LYS 28 HA LYS 28 6.903 -9.040 -5.411 232 1HB LYS 28 H LYS 28 8.889 -8.764 -3.868 233 2HB LYS 28 H LYS 28 7.773 -8.099 -2.652 234 1HG LYS 28 H LYS 28 6.542 -10.163 -2.536 235 2HG LYS 28 H LYS 28 7.376 -10.818 -3.965 236 1HD LYS 28 H LYS 28 9.525 -10.790 -2.725 237 2HD LYS 28 H LYS 28 8.700 -10.108 -1.304 238 1HE LYS 28 H LYS 28 8.995 -12.533 -1.039 239 2HE LYS 28 H LYS 28 7.272 -12.127 -1.161 240 1HZ LYS 28 H LYS 28 8.851 -12.971 -3.476 241 2HZ LYS 28 H LYS 28 8.068 -14.045 -2.500 242 3HZ LYS 28 H LYS 28 7.204 -12.904 -3.326 243 H ILE 29 H ILE 29 6.056 -6.235 -3.341 244 HA ILE 29 HA ILE 29 3.699 -7.263 -2.172 245 HB ILE 29 HB ILE 29 4.488 -4.439 -3.005 246 1HG1 ILE 29 HG12 ILE 29 5.851 -5.760 -1.245 247 2HG1 ILE 29 HG11 ILE 29 5.267 -4.146 -0.792 248 1HG2 ILE 29 HG23 ILE 29 2.115 -5.448 -1.405 249 2HG2 ILE 29 HG22 ILE 29 2.736 -3.787 -1.248 250 3HG2 ILE 29 HG21 ILE 29 2.123 -4.361 -2.812 251 1HD1 ILE 29 HD12 ILE 29 3.784 -6.722 -0.127 252 2HD1 ILE 29 HD13 ILE 29 4.923 -5.917 0.972 253 3HD1 ILE 29 HD11 ILE 29 3.432 -5.089 0.478 254 H LEU 30 H LEU 30 4.136 -5.350 -5.192 255 HA LEU 30 HA LEU 30 1.408 -5.375 -5.979 256 1HB LEU 30 HB2 LEU 30 3.395 -3.940 -6.816 257 2HB LEU 30 HB1 LEU 30 3.798 -5.324 -7.856 258 HG LEU 30 HG LEU 30 1.254 -5.177 -8.566 259 1HD1 LEU 30 HD13 LEU 30 0.666 -3.474 -6.837 260 2HD1 LEU 30 HD11 LEU 30 1.807 -2.337 -7.589 261 3HD1 LEU 30 HD12 LEU 30 0.367 -2.877 -8.485 262 1HD2 LEU 30 HD22 LEU 30 3.331 -3.111 -9.417 263 2HD2 LEU 30 HD21 LEU 30 3.160 -4.759 -10.071 264 3HD2 LEU 30 HD23 LEU 30 1.879 -3.555 -10.347 265 H LEU 31 H LEU 31 4.055 -7.720 -6.419 266 HA LEU 31 HA LEU 31 2.852 -9.278 -8.469 267 1HB LEU 31 HB2 LEU 31 5.274 -9.251 -7.226 268 2HB LEU 31 HB1 LEU 31 4.536 -10.625 -6.385 269 HG LEU 31 HG LEU 31 5.731 -11.490 -8.291 270 1HD1 LEU 31 HD12 LEU 31 3.401 -12.397 -7.811 271 2HD1 LEU 31 HD13 LEU 31 2.817 -11.394 -9.161 272 3HD1 LEU 31 HD11 LEU 31 4.007 -12.679 -9.459 273 1HD2 LEU 31 HD23 LEU 31 5.761 -9.279 -9.535 274 2HD2 LEU 31 HD22 LEU 31 5.461 -10.708 -10.552 275 3HD2 LEU 31 HD21 LEU 31 4.113 -9.644 -10.095 276 H HIS 32 H HIS 32 2.879 -9.741 -4.878 277 HA HIS 32 HA HIS 32 1.083 -12.018 -5.072 278 1HB HIS 32 HB2 HIS 32 2.047 -10.384 -2.696 279 2HB HIS 32 HB1 HIS 32 1.157 -11.916 -2.595 280 HD1 HIS 32 HD1 HIS 32 2.581 -13.678 -4.638 281 HD2 HIS 32 HD2 HIS 32 4.619 -11.080 -2.070 282 HE1 HIS 32 HE1 HIS 32 4.973 -14.516 -4.434 283 H TYR 33 H TYR 33 0.687 -8.870 -3.317 284 HA TYR 33 HA TYR 33 -2.204 -9.273 -3.270 285 1HB TYR 33 HB1 TYR 33 -0.380 -7.028 -2.354 286 2HB TYR 33 HB2 TYR 33 -2.136 -7.013 -2.158 287 HD1 TYR 33 HD1 TYR 33 -3.215 -8.945 -0.821 288 HD2 TYR 33 HD2 TYR 33 0.998 -8.049 -0.736 289 HE1 TYR 33 HE1 TYR 33 -2.995 -10.172 1.329 290 HE2 TYR 33 HE2 TYR 33 1.211 -9.277 1.411 291 HH TYR 33 HH TYR 33 -1.584 -10.843 3.003 292 H LYS 34 H LYS 34 -3.759 -8.152 -4.415 293 HA LYS 34 HA LYS 34 -2.824 -6.773 -6.841 294 1HB LYS 34 H LYS 34 -5.100 -6.962 -7.602 295 2HB LYS 34 H LYS 34 -4.646 -8.523 -6.883 296 1HG LYS 34 H LYS 34 -5.780 -7.843 -4.757 297 2HG LYS 34 H LYS 34 -6.279 -6.320 -5.533 298 1HD LYS 34 H LYS 34 -7.375 -7.744 -7.352 299 2HD LYS 34 H LYS 34 -7.088 -9.155 -6.307 300 1HE LYS 34 H LYS 34 -8.617 -6.653 -5.457 301 2HE LYS 34 H LYS 34 -9.384 -8.142 -6.049 302 1HZ LYS 34 H LYS 34 -8.374 -9.308 -4.223 303 2HZ LYS 34 H LYS 34 -7.672 -7.917 -3.668 304 3HZ LYS 34 H LYS 34 -9.318 -8.066 -3.670 305 H PHE 35 H PHE 35 -3.647 -4.652 -7.436 306 HA PHE 35 HA PHE 35 -4.619 -2.981 -5.181 307 1HB PHE 35 HB2 PHE 35 -2.101 -2.541 -6.826 308 2HB PHE 35 HB1 PHE 35 -2.895 -1.260 -5.900 309 HD1 PHE 35 HD2 PHE 35 -1.137 -4.532 -5.607 310 HD2 PHE 35 HD1 PHE 35 -2.626 -1.068 -3.534 311 HE1 PHE 35 HE2 PHE 35 0.069 -5.236 -3.559 312 HE2 PHE 35 HE1 PHE 35 -1.432 -1.780 -1.481 313 HZ PHE 35 HZ PHE 35 -0.083 -3.866 -1.489 314 H ASN 36 H ASN 36 -5.094 -0.681 -6.067 315 HA ASN 36 HA ASN 36 -6.847 -1.036 -8.383 316 1HB ASN 36 HB2 ASN 36 -7.748 0.243 -6.596 317 2HB ASN 36 HB1 ASN 36 -6.269 1.205 -6.426 318 1HD2 ASN 36 HD22 ASN 36 -8.883 2.029 -9.552 319 2HD2 ASN 36 HD21 ASN 36 -8.813 0.422 -8.865 320 H ASN 37 H ASN 37 -4.202 1.295 -7.544 321 HA ASN 37 HA ASN 37 -3.171 1.106 -10.287 322 1HB ASN 37 HB1 ASN 37 -5.108 2.838 -10.190 323 2HB ASN 37 HB2 ASN 37 -3.986 3.842 -9.252 324 1HD2 ASN 37 HD22 ASN 37 -1.746 4.440 -12.025 325 2HD2 ASN 37 HD21 ASN 37 -1.774 4.209 -10.288 326 H ARG 38 H ARG 38 -1.820 0.126 -8.283 327 HA ARG 38 HA ARG 38 0.032 2.245 -7.280 328 1HB ARG 38 H ARG 38 -0.831 -0.470 -6.314 329 2HB ARG 38 H ARG 38 0.818 0.062 -5.950 330 1HG ARG 38 H ARG 38 -0.592 0.723 -4.107 331 2HG ARG 38 H ARG 38 -0.131 2.192 -4.991 332 1HD ARG 38 H ARG 38 -2.653 0.848 -5.868 333 2HD ARG 38 H ARG 38 -2.683 1.601 -4.266 334 HE ARG 38 H ARG 38 -1.555 3.375 -6.242 335 1HH1 ARG 38 H ARG 38 -4.592 2.054 -4.968 336 2HH1 ARG 38 H ARG 38 -5.543 3.449 -5.440 337 1HH2 ARG 38 H ARG 38 -2.856 5.115 -7.020 338 2HH2 ARG 38 H ARG 38 -4.557 5.184 -6.621 339 H THR 39 H THR 39 2.356 1.717 -7.321 340 HA THR 39 HA THR 39 3.161 -0.285 -9.350 341 HB THR 39 HB THR 39 4.035 2.639 -9.455 342 HG1 THR 39 HG1 THR 39 2.789 2.584 -11.409 343 1HG2 THR 39 HG21 THR 39 4.501 0.257 -11.307 344 2HG2 THR 39 HG22 THR 39 5.018 1.929 -11.630 345 3HG2 THR 39 HG23 THR 39 5.723 1.028 -10.268 346 H SER 40 H SER 40 4.591 2.448 -7.459 347 HA SER 40 HA SER 40 6.030 0.659 -5.686 348 1HB SER 40 HB2 SER 40 7.412 1.937 -8.054 349 2HB SER 40 HB1 SER 40 8.290 1.732 -6.521 350 HG SER 40 HG SER 40 6.878 -0.374 -7.788 351 H VAL 41 H VAL 41 6.190 3.925 -7.211 352 HA VAL 41 HA VAL 41 7.118 5.296 -4.918 353 HB VAL 41 HB VAL 41 5.416 6.274 -7.258 354 1HG1 VAL 41 HG13 VAL 41 7.088 7.763 -5.183 355 2HG1 VAL 41 HG11 VAL 41 6.441 8.500 -6.668 356 3HG1 VAL 41 HG12 VAL 41 5.328 7.886 -5.425 357 1HG2 VAL 41 HG23 VAL 41 8.431 6.207 -6.776 358 2HG2 VAL 41 HG21 VAL 41 7.534 5.263 -7.989 359 3HG2 VAL 41 HG22 VAL 41 7.637 7.032 -8.138 360 H MET 42 H MET 42 3.780 4.660 -6.103 361 HA MET 42 HA MET 42 2.418 6.193 -4.148 362 1HB MET 42 HB1 MET 42 1.620 3.704 -5.714 363 2HB MET 42 HB2 MET 42 0.490 4.652 -4.724 364 1HG MET 42 HG1 MET 42 2.129 5.719 -7.058 365 2HG MET 42 HG2 MET 42 0.416 5.292 -7.125 366 1HE MET 42 HE3 MET 42 -1.472 6.492 -5.925 367 2HE MET 42 HE1 MET 42 -0.717 6.468 -4.314 368 3HE MET 42 HE2 MET 42 -1.327 7.996 -4.987 369 H LEU 43 H LEU 43 3.321 2.703 -4.187 370 HA LEU 43 HA LEU 43 2.160 2.023 -1.695 371 1HB LEU 43 HB2 LEU 43 4.576 0.896 -3.175 372 2HB LEU 43 HB1 LEU 43 3.813 0.118 -1.771 373 HG LEU 43 HG LEU 43 2.087 0.901 -4.130 374 1HD1 LEU 43 HD11 LEU 43 3.791 -1.616 -3.954 375 2HD1 LEU 43 HD13 LEU 43 2.532 -1.297 -5.168 376 3HD1 LEU 43 HD12 LEU 43 3.998 -0.296 -5.127 377 1HD2 LEU 43 HD23 LEU 43 2.072 -1.344 -2.067 378 2HD2 LEU 43 HD21 LEU 43 0.974 0.051 -2.142 379 3HD2 LEU 43 HD22 LEU 43 0.903 -1.197 -3.399 380 H LYS 44 H LYS 44 5.515 3.042 -2.521 381 HA LYS 44 HA LYS 44 6.604 2.956 0.073 382 1HB LYS 44 H LYS 44 7.950 3.208 -1.952 383 2HB LYS 44 H LYS 44 7.198 4.778 -2.300 384 1HG LYS 44 H LYS 44 8.174 5.753 -0.292 385 2HG LYS 44 H LYS 44 8.808 4.171 0.217 386 1HD LYS 44 H LYS 44 10.366 4.095 -1.592 387 2HD LYS 44 H LYS 44 9.556 5.423 -2.454 388 1HE LYS 44 H LYS 44 10.815 5.792 0.292 389 2HE LYS 44 H LYS 44 11.736 6.007 -1.212 390 1HZ LYS 44 H LYS 44 10.142 7.665 -1.875 391 2HZ LYS 44 H LYS 44 9.303 7.478 -0.467 392 3HZ LYS 44 H LYS 44 10.842 8.069 -0.437 393 H ASP 45 H ASP 45 5.184 5.764 -1.687 394 HA ASP 45 HA ASP 45 5.455 7.694 0.312 395 1HB ASP 45 H ASP 45 4.805 8.384 -1.861 396 2HB ASP 45 H ASP 45 3.437 7.253 -1.909 397 H ARG 46 H ARG 46 2.455 5.808 -0.405 398 HA ARG 46 HA ARG 46 0.986 6.761 1.780 399 1HB ARG 46 H ARG 46 0.844 4.128 0.270 400 2HB ARG 46 H ARG 46 -0.382 4.664 1.440 401 1HG ARG 46 H ARG 46 0.458 6.223 -1.051 402 2HG ARG 46 H ARG 46 -1.004 5.231 -0.908 403 1HD ARG 46 H ARG 46 -1.516 6.703 1.195 404 2HD ARG 46 H ARG 46 -0.339 7.832 0.490 405 HE ARG 46 H ARG 46 -3.037 7.252 -0.459 406 1HH1 ARG 46 H ARG 46 0.188 8.489 -1.333 407 2HH1 ARG 46 H ARG 46 -0.396 9.340 -2.749 408 1HH2 ARG 46 H ARG 46 -3.782 8.452 -2.275 409 2HH2 ARG 46 H ARG 46 -2.658 9.366 -3.251 410 H TRP 47 H TRP 47 3.238 3.936 1.644 411 HA TRP 47 HA TRP 47 2.536 2.931 4.206 412 1HB TRP 47 HB2 TRP 47 3.886 1.679 2.574 413 2HB TRP 47 HB1 TRP 47 5.206 2.837 2.772 414 HD1 TRP 47 HD1 TRP 47 7.032 1.664 4.036 415 HE1 TRP 47 HE1 TRP 47 7.275 0.203 6.147 416 HE3 TRP 47 HE3 TRP 47 2.076 1.159 5.277 417 HZ2 TRP 47 HZ2 TRP 47 5.572 -1.018 8.066 418 HZ3 TRP 47 HZ3 TRP 47 1.437 -0.162 7.266 419 HH2 TRP 47 HH2 TRP 47 3.172 -1.260 8.660 420 H ARG 48 H ARG 48 5.118 5.252 3.211 421 HA ARG 48 HA ARG 48 6.137 5.683 5.828 422 1HB ARG 48 H ARG 48 6.087 7.426 3.336 423 2HB ARG 48 H ARG 48 6.961 7.865 4.823 424 1HG ARG 48 H ARG 48 8.190 5.673 4.688 425 2HG ARG 48 H ARG 48 7.393 5.362 3.132 426 1HD ARG 48 H ARG 48 9.510 6.307 2.569 427 2HD ARG 48 H ARG 48 8.333 7.618 2.354 428 HE ARG 48 H ARG 48 9.321 8.784 4.099 429 1HH1 ARG 48 H ARG 48 10.373 5.398 4.189 430 2HH1 ARG 48 H ARG 48 11.643 5.683 5.354 431 1HH2 ARG 48 H ARG 48 10.976 9.141 5.668 432 2HH2 ARG 48 H ARG 48 11.965 7.810 6.221 433 H THR 49 H THR 49 3.485 7.292 3.996 434 HA THR 49 HA THR 49 2.923 9.329 5.878 435 HB THR 49 HB THR 49 0.906 7.834 4.153 436 HG1 THR 49 HG1 THR 49 2.725 9.921 3.529 437 1HG2 THR 49 HG21 THR 49 1.060 10.697 5.198 438 2HG2 THR 49 HG22 THR 49 -0.193 10.067 4.102 439 3HG2 THR 49 HG23 THR 49 -0.062 9.433 5.759 440 H MET 50 H MET 50 1.673 5.959 5.599 441 HA MET 50 HA MET 50 -0.111 6.110 7.807 442 1HB MET 50 HB2 MET 50 0.091 4.348 5.918 443 2HB MET 50 HB1 MET 50 1.362 3.604 6.912 444 1HG MET 50 HG1 MET 50 -1.343 4.290 8.089 445 2HG MET 50 HG2 MET 50 -1.113 2.797 7.169 446 1HE MET 50 HE3 MET 50 -2.109 1.610 9.332 447 2HE MET 50 HE2 MET 50 -1.364 1.699 10.946 448 3HE MET 50 HE1 MET 50 -2.135 3.139 10.242 449 H LYS 51 H LYS 51 3.336 5.090 7.561 450 HA LYS 51 HA LYS 51 3.677 4.192 10.208 451 1HB LYS 51 H LYS 51 5.604 5.514 8.259 452 2HB LYS 51 H LYS 51 6.105 4.803 9.807 453 1HG LYS 51 H LYS 51 4.401 2.915 8.426 454 2HG LYS 51 H LYS 51 5.666 3.465 7.306 455 1HD LYS 51 H LYS 51 6.274 2.551 10.148 456 2HD LYS 51 H LYS 51 6.255 1.439 8.761 457 1HE LYS 51 H LYS 51 7.937 2.900 7.611 458 2HE LYS 51 H LYS 51 8.022 3.906 9.074 459 1HZ LYS 51 H LYS 51 8.624 1.031 8.965 460 2HZ LYS 51 H LYS 51 9.754 2.235 8.958 461 3HZ LYS 51 H LYS 51 8.790 2.020 10.280 462 H LYS 52 H LYS 52 4.197 7.526 8.855 463 HA LYS 52 HA LYS 52 4.830 8.553 11.511 464 1HB LYS 52 H LYS 52 5.091 10.681 10.420 465 2HB LYS 52 H LYS 52 5.825 9.442 9.385 466 1HG LYS 52 H LYS 52 4.318 9.768 7.703 467 2HG LYS 52 H LYS 52 2.952 9.970 8.810 468 1HD LYS 52 H LYS 52 5.097 12.098 8.484 469 2HD LYS 52 H LYS 52 3.657 12.041 7.443 470 1HE LYS 52 H LYS 52 3.500 12.095 10.488 471 2HE LYS 52 H LYS 52 3.484 13.562 9.495 472 1HZ LYS 52 H LYS 52 1.566 11.361 9.154 473 2HZ LYS 52 H LYS 52 1.286 12.675 10.109 474 3HZ LYS 52 H LYS 52 1.506 12.868 8.485 475 H LEU 53 H LEU 53 1.917 7.706 9.991 476 HA LEU 53 HA LEU 53 -0.268 8.074 10.483 477 1HB LEU 53 HB2 LEU 53 0.649 7.754 12.851 478 2HB LEU 53 HB1 LEU 53 0.653 9.524 12.996 479 HG LEU 53 HG LEU 53 -1.843 9.362 12.205 480 1HD1 LEU 53 HD11 LEU 53 -1.322 6.529 13.222 481 2HD1 LEU 53 HD12 LEU 53 -2.930 7.227 12.912 482 3HD1 LEU 53 HD13 LEU 53 -1.794 6.977 11.567 483 1HD2 LEU 53 HD21 LEU 53 -0.955 8.360 14.946 484 2HD2 LEU 53 HD22 LEU 53 -1.134 10.063 14.461 485 3HD2 LEU 53 HD23 LEU 53 -2.565 9.011 14.558 No H/Q in entry = 485 Start of MODEL 2 1 1H ARG 1 H3 ARG 1 -16.494 12.654 6.142 2 2H ARG 1 H2 ARG 1 -15.157 13.468 5.623 3 3H ARG 1 H1 ARG 1 -16.266 14.228 6.577 4 HA ARG 1 HA ARG 1 -17.929 14.081 4.895 5 1HB ARG 1 H ARG 1 -16.180 15.997 5.027 6 2HB ARG 1 H ARG 1 -15.428 15.230 3.612 7 1HG ARG 1 H ARG 1 -16.892 16.711 2.566 8 2HG ARG 1 H ARG 1 -17.917 15.263 2.667 9 1HD ARG 1 H ARG 1 -19.240 17.134 3.441 10 2HD ARG 1 H ARG 1 -18.823 16.157 4.861 11 HE ARG 1 H ARG 1 -17.544 17.907 5.692 12 1HH1 ARG 1 H ARG 1 -18.296 18.496 2.274 13 2HH1 ARG 1 H ARG 1 -17.730 20.149 2.297 14 1HH2 ARG 1 H ARG 1 -16.799 20.087 5.706 15 2HH2 ARG 1 H ARG 1 -16.855 21.047 4.246 16 H LYS 2 H LYS 2 -14.726 13.260 3.425 17 HA LYS 2 HA LYS 2 -15.359 10.730 2.445 18 1HB LYS 2 H LYS 2 -15.678 11.286 -0.025 19 2HB LYS 2 H LYS 2 -17.084 11.561 1.012 20 1HG LYS 2 H LYS 2 -16.412 14.006 1.159 21 2HG LYS 2 H LYS 2 -15.117 13.661 -0.006 22 1HD LYS 2 H LYS 2 -16.723 14.275 -1.525 23 2HD LYS 2 H LYS 2 -17.222 12.578 -1.346 24 1HE LYS 2 H LYS 2 -18.345 14.927 0.253 25 2HE LYS 2 H LYS 2 -19.137 14.173 -1.145 26 1HZ LYS 2 H LYS 2 -19.156 12.106 0.102 27 2HZ LYS 2 H LYS 2 -18.518 12.871 1.420 28 3HZ LYS 2 H LYS 2 -20.013 13.295 0.857 29 H ARG 3 H ARG 3 -13.641 9.883 1.106 30 HA ARG 3 HA ARG 3 -11.503 11.647 0.230 31 1HB ARG 3 H ARG 3 -11.203 11.365 2.784 32 2HB ARG 3 H ARG 3 -10.829 9.663 2.439 33 1HG ARG 3 H ARG 3 -8.701 10.667 2.425 34 2HG ARG 3 H ARG 3 -9.120 10.654 0.698 35 1HD ARG 3 H ARG 3 -9.926 12.993 0.874 36 2HD ARG 3 H ARG 3 -9.525 13.008 2.602 37 HE ARG 3 H ARG 3 -7.684 13.256 0.341 38 1HH1 ARG 3 H ARG 3 -8.003 12.338 3.752 39 2HH1 ARG 3 H ARG 3 -6.344 12.718 4.148 40 1HH2 ARG 3 H ARG 3 -5.498 13.755 0.876 41 2HH2 ARG 3 H ARG 3 -4.909 13.500 2.502 42 H GLN 4 H GLN 4 -12.709 10.317 -1.550 43 HA GLN 4 HA GLN 4 -12.085 7.520 -1.798 44 1HB GLN 4 HB1 GLN 4 -13.984 8.683 -2.939 45 2HB GLN 4 HB2 GLN 4 -12.810 9.561 -3.948 46 1HG GLN 4 HG1 GLN 4 -11.947 7.408 -4.821 47 2HG GLN 4 HG2 GLN 4 -13.097 6.525 -3.796 48 1HE2 GLN 4 HE22 GLN 4 -14.625 6.690 -7.171 49 2HE2 GLN 4 HE21 GLN 4 -13.223 5.955 -6.425 50 H ALA 5 H ALA 5 -9.942 6.990 -1.681 51 HA ALA 5 HA ALA 5 -8.223 7.865 -3.895 52 1HB ALA 5 HB3 ALA 5 -7.491 8.381 -0.979 53 2HB ALA 5 HB2 ALA 5 -6.395 8.574 -2.369 54 3HB ALA 5 HB1 ALA 5 -7.827 9.620 -2.213 55 H TRP 6 H TRP 6 -8.372 6.114 -0.736 56 HA TRP 6 HA TRP 6 -7.116 3.770 -2.079 57 1HB TRP 6 HB2 TRP 6 -6.207 5.314 0.303 58 2HB TRP 6 HB1 TRP 6 -6.150 3.550 0.433 59 HD1 TRP 6 HD1 TRP 6 -4.925 6.242 -2.051 60 HE1 TRP 6 HE1 TRP 6 -2.622 5.557 -2.981 61 HE3 TRP 6 HE3 TRP 6 -4.440 1.718 0.281 62 HZ2 TRP 6 HZ2 TRP 6 -0.825 3.347 -2.730 63 HZ3 TRP 6 HZ3 TRP 6 -2.408 0.352 -0.085 64 HH2 TRP 6 HH2 TRP 6 -0.601 1.154 -1.587 65 H LEU 7 H LEU 7 -7.976 1.805 -1.544 66 HA LEU 7 HA LEU 7 -10.473 1.871 0.012 67 1HB LEU 7 HB2 LEU 7 -9.066 -0.374 -1.496 68 2HB LEU 7 HB1 LEU 7 -10.695 -0.465 -0.798 69 HG LEU 7 HG LEU 7 -9.881 1.599 -2.897 70 1HD1 LEU 7 HD13 LEU 7 -9.681 -0.696 -3.809 71 2HD1 LEU 7 HD12 LEU 7 -11.325 -1.066 -3.239 72 3HD1 LEU 7 HD11 LEU 7 -11.078 0.154 -4.511 73 1HD2 LEU 7 HD22 LEU 7 -12.544 0.659 -1.744 74 2HD2 LEU 7 HD23 LEU 7 -11.830 2.284 -1.619 75 3HD2 LEU 7 HD21 LEU 7 -12.399 1.684 -3.191 76 H TRP 8 H TRP 8 -10.893 0.462 1.797 77 HA TRP 8 HA TRP 8 -8.860 0.352 3.756 78 1HB TRP 8 HB1 TRP 8 -10.468 -0.586 5.118 79 2HB TRP 8 HB2 TRP 8 -11.474 0.230 3.915 80 HD1 TRP 8 HD1 TRP 8 -11.088 -2.957 5.613 81 HE1 TRP 8 HE1 TRP 8 -12.443 -4.856 4.522 82 HE3 TRP 8 HE3 TRP 8 -12.223 -0.698 1.155 83 HZ2 TRP 8 HZ2 TRP 8 -13.802 -5.330 2.059 84 HZ3 TRP 8 HZ3 TRP 8 -13.544 -1.917 -0.543 85 HH2 TRP 8 HH2 TRP 8 -14.335 -4.228 -0.104 86 H GLU 9 H GLU 9 -9.950 -2.013 1.317 87 HA GLU 9 HA GLU 9 -8.532 -4.263 2.344 88 1HB GLU 9 H GLU 9 -10.381 -4.232 0.585 89 2HB GLU 9 H GLU 9 -9.160 -3.652 -0.572 90 1HG GLU 9 H GLU 9 -7.824 -5.772 0.506 91 2HG GLU 9 H GLU 9 -9.494 -6.347 0.679 92 H GLU 10 H GLU 10 -7.701 -1.818 -0.179 93 HA GLU 10 HA GLU 10 -5.135 -2.803 -0.813 94 1HB GLU 10 H GLU 10 -6.279 0.021 -0.829 95 2HB GLU 10 H GLU 10 -4.719 -0.425 -1.558 96 1HG GLU 10 H GLU 10 -5.832 -2.032 -3.042 97 2HG GLU 10 H GLU 10 -7.399 -1.688 -2.284 98 H ASP 11 H ASP 11 -6.206 -0.480 1.717 99 HA ASP 11 HA ASP 11 -3.634 0.218 2.677 100 1HB ASP 11 H ASP 11 -5.859 1.306 3.208 101 2HB ASP 11 H ASP 11 -6.196 -0.055 4.298 102 H LYS 12 H LYS 12 -5.875 -2.445 3.609 103 HA LYS 12 HA LYS 12 -4.244 -3.526 5.688 104 1HB LYS 12 H LYS 12 -6.700 -3.987 5.201 105 2HB LYS 12 H LYS 12 -6.162 -5.034 3.867 106 1HG LYS 12 H LYS 12 -4.703 -6.245 5.620 107 2HG LYS 12 H LYS 12 -5.647 -5.370 6.847 108 1HD LYS 12 H LYS 12 -6.773 -7.222 4.691 109 2HD LYS 12 H LYS 12 -6.607 -7.612 6.420 110 1HE LYS 12 H LYS 12 -8.102 -5.635 6.934 111 2HE LYS 12 H LYS 12 -8.374 -5.450 5.187 112 1HZ LYS 12 H LYS 12 -9.263 -7.665 5.154 113 2HZ LYS 12 H LYS 12 -9.013 -7.838 6.774 114 3HZ LYS 12 H LYS 12 -10.097 -6.725 6.223 115 H ASN 13 H ASN 13 -4.536 -4.309 2.186 116 HA ASN 13 HA ASN 13 -2.735 -6.471 2.086 117 1HB ASN 13 HB2 ASN 13 -3.385 -4.326 0.019 118 2HB ASN 13 HB1 ASN 13 -2.503 -5.821 -0.333 119 1HD2 ASN 13 HD21 ASN 13 -6.105 -6.351 -1.232 120 2HD2 ASN 13 HD22 ASN 13 -4.726 -5.422 -1.807 121 H LEU 14 H LEU 14 -2.173 -2.943 1.802 122 HA LEU 14 HA LEU 14 0.608 -3.111 1.189 123 1HB LEU 14 HB2 LEU 14 -0.792 -1.109 0.789 124 2HB LEU 14 HB1 LEU 14 -1.034 -0.919 2.538 125 HG LEU 14 HG LEU 14 1.536 -0.757 2.727 126 1HD1 LEU 14 HD13 LEU 14 1.192 -0.365 -0.280 127 2HD1 LEU 14 HD12 LEU 14 2.669 0.017 0.634 128 3HD1 LEU 14 HD11 LEU 14 2.110 -1.666 0.512 129 1HD2 LEU 14 HD22 LEU 14 -0.031 1.350 1.181 130 2HD2 LEU 14 HD21 LEU 14 0.056 1.188 2.951 131 3HD2 LEU 14 HD23 LEU 14 1.507 1.637 2.026 132 H ARG 15 H ARG 15 -1.153 -2.568 4.280 133 HA ARG 15 HA ARG 15 1.132 -2.303 5.908 134 1HB ARG 15 H ARG 15 -1.210 -1.709 6.490 135 2HB ARG 15 H ARG 15 -1.600 -3.435 6.631 136 1HG ARG 15 H ARG 15 -0.039 -3.711 8.462 137 2HG ARG 15 H ARG 15 0.612 -2.073 8.228 138 1HD ARG 15 H ARG 15 -2.278 -2.689 8.987 139 2HD ARG 15 H ARG 15 -1.010 -2.253 10.143 140 HE ARG 15 H ARG 15 -0.967 -0.037 9.306 141 1HH1 ARG 15 H ARG 15 -3.400 -2.041 7.642 142 2HH1 ARG 15 H ARG 15 -4.213 -0.663 6.921 143 1HH2 ARG 15 H ARG 15 -2.090 1.744 8.354 144 2HH2 ARG 15 H ARG 15 -3.455 1.455 7.287 145 H SER 16 H SER 16 -0.899 -5.251 5.340 146 HA SER 16 HA SER 16 0.758 -6.972 6.894 147 1HB SER 16 HB2 SER 16 -0.448 -8.794 5.676 148 2HB SER 16 HB1 SER 16 -1.539 -7.563 6.355 149 HG SER 16 HG SER 16 -1.721 -6.649 4.315 150 H GLY 17 H GLY 17 0.686 -6.262 3.363 151 1HA GLY 17 HA1 GLY 17 2.626 -8.161 2.581 152 2HA GLY 17 HA2 GLY 17 2.230 -6.662 1.715 153 H VAL 18 H VAL 18 3.083 -4.618 3.174 154 HA VAL 18 HA VAL 18 5.895 -4.653 2.872 155 HB VAL 18 HB VAL 18 4.054 -2.806 4.452 156 1HG1 VAL 18 HG13 VAL 18 7.025 -2.712 3.857 157 2HG1 VAL 18 HG11 VAL 18 6.091 -1.226 4.125 158 3HG1 VAL 18 HG12 VAL 18 6.201 -2.451 5.411 159 1HG2 VAL 18 HG21 VAL 18 3.747 -2.947 1.948 160 2HG2 VAL 18 HG23 VAL 18 4.300 -1.349 2.498 161 3HG2 VAL 18 HG22 VAL 18 5.452 -2.482 1.755 162 H ARG 19 H ARG 19 3.829 -5.255 5.749 163 HA ARG 19 HA ARG 19 5.962 -5.277 7.647 164 1HB ARG 19 H ARG 19 3.661 -5.064 8.365 165 2HB ARG 19 H ARG 19 3.218 -6.596 7.585 166 1HG ARG 19 H ARG 19 3.452 -6.922 10.005 167 2HG ARG 19 H ARG 19 4.724 -7.822 9.153 168 1HD ARG 19 H ARG 19 6.365 -6.099 9.662 169 2HD ARG 19 H ARG 19 5.105 -5.032 10.326 170 HE ARG 19 H ARG 19 5.027 -7.483 11.751 171 1HH1 ARG 19 H ARG 19 7.190 -4.730 11.238 172 2HH1 ARG 19 H ARG 19 7.923 -4.833 12.821 173 1HH2 ARG 19 H ARG 19 6.005 -7.626 13.838 174 2HH2 ARG 19 H ARG 19 7.251 -6.490 14.303 175 H LYS 20 H LYS 20 4.509 -7.818 5.563 176 HA LYS 20 HA LYS 20 6.003 -9.979 6.751 177 1HB LYS 20 H LYS 20 3.813 -10.186 5.539 178 2HB LYS 20 H LYS 20 4.661 -9.814 4.023 179 1HG LYS 20 H LYS 20 6.173 -11.787 4.448 180 2HG LYS 20 H LYS 20 5.196 -12.173 5.883 181 1HD LYS 20 H LYS 20 4.301 -13.546 4.159 182 2HD LYS 20 H LYS 20 3.159 -12.186 4.285 183 1HE LYS 20 H LYS 20 4.166 -11.091 2.354 184 2HE LYS 20 H LYS 20 5.473 -12.291 2.299 185 1HZ LYS 20 H LYS 20 3.827 -13.955 1.806 186 2HZ LYS 20 H LYS 20 2.622 -12.829 1.841 187 3HZ LYS 20 H LYS 20 3.794 -12.749 0.680 188 H TYR 21 H TYR 21 6.272 -8.410 3.487 189 HA TYR 21 HA TYR 21 8.736 -9.759 2.880 190 1HB TYR 21 HB2 TYR 21 7.400 -7.314 1.667 191 2HB TYR 21 HB1 TYR 21 8.799 -8.147 0.969 192 HD1 TYR 21 HD1 TYR 21 8.458 -10.809 0.709 193 HD2 TYR 21 HD2 TYR 21 5.291 -7.892 0.841 194 HE1 TYR 21 HE1 TYR 21 6.938 -12.399 -0.447 195 HE2 TYR 21 HE2 TYR 21 3.785 -9.477 -0.325 196 HH TYR 21 HH TYR 21 3.637 -11.498 -1.443 197 H GLY 22 H GLY 22 7.937 -6.507 4.142 198 1HA GLY 22 HA1 GLY 22 9.521 -5.545 5.758 199 2HA GLY 22 HA2 GLY 22 10.846 -6.097 4.712 200 H GLU 23 H GLU 23 10.094 -3.332 5.638 201 HA GLU 23 HA GLU 23 8.969 -1.850 3.491 202 1HB GLU 23 H GLU 23 9.300 -1.043 5.838 203 2HB GLU 23 H GLU 23 11.051 -0.954 5.528 204 1HG GLU 23 H GLU 23 10.734 0.706 3.794 205 2HG GLU 23 H GLU 23 8.972 0.485 3.826 206 H GLY 24 H GLY 24 9.732 -1.389 1.524 207 1HA GLY 24 HA1 GLY 24 11.834 -0.526 0.343 208 2HA GLY 24 HA2 GLY 24 12.591 -2.025 0.934 209 H ASN 25 H ASN 25 10.150 -3.636 0.690 210 HA ASN 25 HA ASN 25 10.344 -4.299 -2.150 211 1HB ASN 25 HB1 ASN 25 8.643 -5.427 0.121 212 2HB ASN 25 HB2 ASN 25 8.783 -6.131 -1.502 213 1HD2 ASN 25 HD21 ASN 25 11.801 -6.590 1.285 214 2HD2 ASN 25 HD22 ASN 25 10.477 -5.476 1.551 215 H TRP 26 H TRP 26 8.898 -3.705 -3.732 216 HA TRP 26 HA TRP 26 6.276 -2.571 -2.883 217 1HB TRP 26 HB2 TRP 26 7.958 -1.332 -5.078 218 2HB TRP 26 HB1 TRP 26 6.501 -0.688 -4.314 219 HD1 TRP 26 HD1 TRP 26 10.038 -0.161 -4.363 220 HE1 TRP 26 HE1 TRP 26 10.946 1.072 -2.295 221 HE3 TRP 26 HE3 TRP 26 5.985 -0.678 -1.270 222 HZ2 TRP 26 HZ2 TRP 26 10.045 1.723 0.333 223 HZ3 TRP 26 HZ3 TRP 26 6.056 0.270 1.020 224 HH2 TRP 26 HH2 TRP 26 8.077 1.467 1.826 225 H SER 27 H SER 27 8.223 -3.308 -5.846 226 HA SER 27 HA SER 27 5.989 -4.107 -7.418 227 1HB SER 27 HB1 SER 27 8.197 -3.475 -8.345 228 2HB SER 27 HB2 SER 27 8.923 -4.923 -7.608 229 HG SER 27 HG SER 27 8.325 -5.244 -9.802 230 H LYS 28 H LYS 28 8.385 -5.994 -5.505 231 HA LYS 28 HA LYS 28 7.496 -8.578 -6.023 232 1HB LYS 28 H LYS 28 9.518 -8.135 -4.762 233 2HB LYS 28 H LYS 28 8.606 -7.297 -3.490 234 1HG LYS 28 H LYS 28 9.219 -9.569 -2.762 235 2HG LYS 28 H LYS 28 7.454 -9.426 -2.909 236 1HD LYS 28 H LYS 28 7.459 -10.603 -5.024 237 2HD LYS 28 H LYS 28 9.235 -10.524 -5.129 238 1HE LYS 28 H LYS 28 9.468 -11.989 -3.198 239 2HE LYS 28 H LYS 28 7.715 -11.957 -2.909 240 1HZ LYS 28 H LYS 28 8.966 -13.014 -5.344 241 2HZ LYS 28 H LYS 28 8.494 -13.937 -4.063 242 3HZ LYS 28 H LYS 28 7.367 -13.095 -4.930 243 H ILE 29 H ILE 29 6.230 -6.191 -3.654 244 HA ILE 29 HA ILE 29 4.337 -7.967 -2.459 245 HB ILE 29 HB ILE 29 4.133 -4.936 -2.674 246 1HG1 ILE 29 HG11 ILE 29 5.887 -6.702 -0.928 247 2HG1 ILE 29 HG12 ILE 29 6.362 -5.304 -1.909 248 1HG2 ILE 29 HG21 ILE 29 2.201 -6.303 -1.744 249 2HG2 ILE 29 HG23 ILE 29 3.295 -6.851 -0.454 250 3HG2 ILE 29 HG22 ILE 29 2.886 -5.125 -0.609 251 1HD1 ILE 29 HD12 ILE 29 4.958 -3.846 -0.409 252 2HD1 ILE 29 HD11 ILE 29 4.687 -5.263 0.634 253 3HD1 ILE 29 HD13 ILE 29 6.328 -4.623 0.420 254 H LEU 30 H LEU 30 4.021 -5.434 -5.016 255 HA LEU 30 HA LEU 30 1.257 -5.746 -5.460 256 1HB LEU 30 HB1 LEU 30 2.731 -3.886 -6.273 257 2HB LEU 30 HB2 LEU 30 3.388 -4.993 -7.500 258 HG LEU 30 HG LEU 30 0.432 -4.975 -7.438 259 1HD1 LEU 30 HD13 LEU 30 1.938 -2.412 -8.122 260 2HD1 LEU 30 HD11 LEU 30 0.225 -2.724 -8.494 261 3HD1 LEU 30 HD12 LEU 30 0.764 -2.626 -6.800 262 1HD2 LEU 30 HD22 LEU 30 1.820 -5.985 -9.236 263 2HD2 LEU 30 HD21 LEU 30 0.764 -4.703 -9.873 264 3HD2 LEU 30 HD23 LEU 30 2.494 -4.381 -9.610 265 H LEU 31 H LEU 31 4.018 -7.636 -6.704 266 HA LEU 31 HA LEU 31 2.605 -8.975 -8.791 267 1HB LEU 31 HB2 LEU 31 5.213 -9.135 -7.431 268 2HB LEU 31 HB1 LEU 31 4.595 -10.736 -7.878 269 HG LEU 31 HG LEU 31 6.017 -9.714 -9.654 270 1HD1 LEU 31 HD12 LEU 31 4.160 -11.335 -10.180 271 2HD1 LEU 31 HD11 LEU 31 3.106 -9.948 -10.534 272 3HD1 LEU 31 HD13 LEU 31 4.558 -10.232 -11.516 273 1HD2 LEU 31 HD23 LEU 31 5.290 -7.336 -9.165 274 2HD2 LEU 31 HD21 LEU 31 5.314 -7.772 -10.887 275 3HD2 LEU 31 HD22 LEU 31 3.769 -7.690 -10.012 276 H HIS 32 H HIS 32 2.245 -9.234 -5.370 277 HA HIS 32 HA HIS 32 1.009 -11.943 -5.695 278 1HB HIS 32 HB2 HIS 32 2.451 -10.739 -3.302 279 2HB HIS 32 HB1 HIS 32 1.612 -12.303 -3.308 280 HD1 HIS 32 HD1 HIS 32 2.542 -13.722 -5.763 281 HD2 HIS 32 HD2 HIS 32 5.126 -11.291 -3.541 282 HE1 HIS 32 HE1 HIS 32 4.924 -14.439 -6.294 283 H TYR 33 H TYR 33 0.947 -9.010 -3.575 284 HA TYR 33 HA TYR 33 -1.742 -9.567 -2.677 285 1HB TYR 33 HB2 TYR 33 0.227 -7.305 -2.414 286 2HB TYR 33 HB1 TYR 33 -1.463 -7.048 -1.958 287 HD1 TYR 33 HD2 TYR 33 1.635 -8.921 -1.163 288 HD2 TYR 33 HD1 TYR 33 -2.434 -8.111 -0.009 289 HE1 TYR 33 HE2 TYR 33 2.048 -9.967 1.055 290 HE2 TYR 33 HE1 TYR 33 -2.014 -9.148 2.204 291 HH TYR 33 HH TYR 33 -0.468 -10.108 3.592 292 H LYS 34 H LYS 34 -3.636 -8.348 -3.100 293 HA LYS 34 HA LYS 34 -3.931 -7.644 -5.906 294 1HB LYS 34 H LYS 34 -5.638 -8.911 -4.626 295 2HB LYS 34 H LYS 34 -5.880 -7.511 -3.560 296 1HG LYS 34 H LYS 34 -6.152 -7.187 -6.565 297 2HG LYS 34 H LYS 34 -7.481 -7.906 -5.632 298 1HD LYS 34 H LYS 34 -6.933 -5.719 -4.070 299 2HD LYS 34 H LYS 34 -6.484 -5.090 -5.672 300 1HE LYS 34 H LYS 34 -8.801 -4.583 -5.399 301 2HE LYS 34 H LYS 34 -8.733 -5.964 -6.514 302 1HZ LYS 34 H LYS 34 -9.154 -7.386 -4.592 303 2HZ LYS 34 H LYS 34 -9.332 -6.055 -3.631 304 3HZ LYS 34 H LYS 34 -10.384 -6.328 -4.873 305 H PHE 35 H PHE 35 -3.805 -5.656 -6.780 306 HA PHE 35 HA PHE 35 -4.362 -3.262 -5.163 307 1HB PHE 35 HB2 PHE 35 -1.650 -4.007 -6.278 308 2HB PHE 35 HB1 PHE 35 -2.132 -2.309 -6.158 309 HD1 PHE 35 HD1 PHE 35 -3.095 -1.569 -3.797 310 HD2 PHE 35 HD2 PHE 35 -0.558 -4.984 -4.458 311 HE1 PHE 35 HE1 PHE 35 -2.402 -1.521 -1.416 312 HE2 PHE 35 HE2 PHE 35 0.135 -4.926 -2.076 313 HZ PHE 35 HZ PHE 35 -0.789 -3.195 -0.564 314 H ASN 36 H ASN 36 -4.594 -1.347 -6.504 315 HA ASN 36 HA ASN 36 -5.493 -2.029 -9.235 316 1HB ASN 36 HB2 ASN 36 -6.922 -0.732 -7.609 317 2HB ASN 36 HB1 ASN 36 -5.731 0.581 -7.674 318 1HD2 ASN 36 HD21 ASN 36 -8.053 1.797 -10.140 319 2HD2 ASN 36 HD22 ASN 36 -7.671 1.826 -8.433 320 H ASN 37 H ASN 37 -4.731 1.226 -9.250 321 HA ASN 37 HA ASN 37 -2.300 0.732 -10.849 322 1HB ASN 37 HB1 ASN 37 -2.628 3.042 -11.582 323 2HB ASN 37 HB2 ASN 37 -4.153 2.144 -11.720 324 1HD2 ASN 37 HD22 ASN 37 -4.342 5.601 -9.877 325 2HD2 ASN 37 HD21 ASN 37 -3.301 5.121 -11.198 326 H ARG 38 H ARG 38 -1.826 0.168 -8.168 327 HA ARG 38 HA ARG 38 -0.639 2.598 -6.967 328 1HB ARG 38 H ARG 38 -1.249 -0.208 -6.003 329 2HB ARG 38 H ARG 38 -0.123 0.838 -5.110 330 1HG ARG 38 H ARG 38 -2.397 1.067 -4.201 331 2HG ARG 38 H ARG 38 -1.876 2.594 -4.949 332 1HD ARG 38 H ARG 38 -3.267 2.272 -6.844 333 2HD ARG 38 H ARG 38 -3.445 0.536 -6.524 334 HE ARG 38 H ARG 38 -5.158 0.973 -5.030 335 1HH1 ARG 38 H ARG 38 -3.459 3.988 -5.831 336 2HH1 ARG 38 H ARG 38 -4.660 5.011 -5.081 337 1HH2 ARG 38 H ARG 38 -6.712 2.326 -4.033 338 2HH2 ARG 38 H ARG 38 -6.563 4.075 -4.148 339 H THR 39 H THR 39 1.059 2.927 -8.494 340 HA THR 39 HA THR 39 2.994 0.872 -9.072 341 HB THR 39 HB THR 39 2.591 2.792 -10.571 342 HG1 THR 39 HG1 THR 39 4.764 3.254 -10.917 343 1HG2 THR 39 HG21 THR 39 3.768 4.432 -8.286 344 2HG2 THR 39 HG22 THR 39 3.473 5.041 -9.927 345 3HG2 THR 39 HG23 THR 39 2.108 4.533 -8.908 346 H SER 40 H SER 40 5.437 1.469 -8.567 347 HA SER 40 HA SER 40 5.920 0.899 -5.888 348 1HB SER 40 HB1 SER 40 7.752 2.403 -7.798 349 2HB SER 40 HB2 SER 40 8.243 1.444 -6.381 350 HG SER 40 HG SER 40 7.185 -0.358 -7.445 351 H VAL 41 H VAL 41 5.683 4.100 -7.475 352 HA VAL 41 HA VAL 41 6.650 5.639 -5.279 353 HB VAL 41 HB VAL 41 4.678 6.391 -7.483 354 1HG1 VAL 41 HG12 VAL 41 6.429 8.067 -5.629 355 2HG1 VAL 41 HG11 VAL 41 5.530 8.702 -7.027 356 3HG1 VAL 41 HG13 VAL 41 4.650 8.014 -5.644 357 1HG2 VAL 41 HG23 VAL 41 7.719 6.547 -7.297 358 2HG2 VAL 41 HG22 VAL 41 6.771 5.552 -8.428 359 3HG2 VAL 41 HG21 VAL 41 6.746 7.324 -8.568 360 H MET 42 H MET 42 3.290 4.822 -6.321 361 HA MET 42 HA MET 42 1.963 6.164 -4.215 362 1HB MET 42 HB2 MET 42 1.217 3.757 -5.922 363 2HB MET 42 HB1 MET 42 0.090 4.531 -4.786 364 1HG MET 42 HG2 MET 42 1.548 6.029 -6.996 365 2HG MET 42 HG1 MET 42 -0.065 5.327 -7.192 366 1HE MET 42 HE3 MET 42 0.677 8.354 -7.778 367 2HE MET 42 HE2 MET 42 -0.948 7.662 -8.003 368 3HE MET 42 HE1 MET 42 -0.744 9.177 -7.090 369 H LEU 43 H LEU 43 3.141 2.772 -4.485 370 HA LEU 43 HA LEU 43 2.037 1.807 -2.077 371 1HB LEU 43 HB2 LEU 43 4.565 1.060 -3.599 372 2HB LEU 43 HB1 LEU 43 3.950 0.133 -2.212 373 HG LEU 43 HG LEU 43 2.193 0.760 -4.617 374 1HD1 LEU 43 HD11 LEU 43 4.035 -1.626 -4.177 375 2HD1 LEU 43 HD13 LEU 43 2.769 -1.539 -5.422 376 3HD1 LEU 43 HD12 LEU 43 4.149 -0.423 -5.482 377 1HD2 LEU 43 HD21 LEU 43 2.146 -1.345 -2.408 378 2HD2 LEU 43 HD22 LEU 43 1.006 0.001 -2.626 379 3HD2 LEU 43 HD23 LEU 43 1.039 -1.329 -3.801 380 H LYS 44 H LYS 44 5.380 3.129 -2.642 381 HA LYS 44 HA LYS 44 6.042 2.948 0.141 382 1HB LYS 44 H LYS 44 8.086 4.026 -0.424 383 2HB LYS 44 H LYS 44 7.661 2.983 -1.797 384 1HG LYS 44 H LYS 44 6.891 4.878 -3.093 385 2HG LYS 44 H LYS 44 7.006 5.959 -1.695 386 1HD LYS 44 H LYS 44 8.924 6.237 -3.255 387 2HD LYS 44 H LYS 44 9.428 5.732 -1.627 388 1HE LYS 44 H LYS 44 10.620 4.490 -3.435 389 2HE LYS 44 H LYS 44 9.688 3.418 -2.375 390 1HZ LYS 44 H LYS 44 8.836 4.395 -5.011 391 2HZ LYS 44 H LYS 44 9.386 2.878 -4.674 392 3HZ LYS 44 H LYS 44 7.956 3.399 -4.032 393 H ASP 45 H ASP 45 4.591 5.534 -1.849 394 HA ASP 45 HA ASP 45 4.967 7.669 -0.013 395 1HB ASP 45 H ASP 45 4.268 8.076 -2.297 396 2HB ASP 45 H ASP 45 2.796 7.107 -2.072 397 H ARG 46 H ARG 46 2.098 5.551 -0.538 398 HA ARG 46 HA ARG 46 0.529 6.509 1.575 399 1HB ARG 46 H ARG 46 0.170 4.715 -0.388 400 2HB ARG 46 H ARG 46 0.514 3.573 0.925 401 1HG ARG 46 H ARG 46 -1.630 5.743 0.934 402 2HG ARG 46 H ARG 46 -1.904 4.001 0.735 403 1HD ARG 46 H ARG 46 -0.603 3.822 3.026 404 2HD ARG 46 H ARG 46 -1.085 5.523 3.207 405 HE ARG 46 H ARG 46 -2.743 3.219 3.583 406 1HH1 ARG 46 H ARG 46 -2.810 6.532 2.298 407 2HH1 ARG 46 H ARG 46 -4.551 6.659 2.376 408 1HH2 ARG 46 H ARG 46 -4.986 3.459 3.832 409 2HH2 ARG 46 H ARG 46 -5.800 4.908 3.265 410 H TRP 47 H TRP 47 2.936 3.809 1.566 411 HA TRP 47 HA TRP 47 2.531 3.037 4.261 412 1HB TRP 47 HB1 TRP 47 3.734 1.687 2.589 413 2HB TRP 47 HB2 TRP 47 5.035 2.887 2.545 414 HD1 TRP 47 HD1 TRP 47 7.025 2.199 3.913 415 HE1 TRP 47 HE1 TRP 47 7.527 0.798 6.021 416 HE3 TRP 47 HE3 TRP 47 2.238 0.864 5.129 417 HZ2 TRP 47 HZ2 TRP 47 6.031 -0.695 7.955 418 HZ3 TRP 47 HZ3 TRP 47 1.816 -0.537 7.126 419 HH2 TRP 47 HH2 TRP 47 3.698 -1.329 8.536 420 H ARG 48 H ARG 48 4.803 5.428 2.810 421 HA ARG 48 HA ARG 48 6.260 5.914 5.179 422 1HB ARG 48 H ARG 48 6.689 6.616 2.690 423 2HB ARG 48 H ARG 48 5.780 8.075 3.120 424 1HG ARG 48 H ARG 48 7.455 8.875 4.465 425 2HG ARG 48 H ARG 48 7.850 7.269 5.107 426 1HD ARG 48 H ARG 48 8.710 8.457 2.438 427 2HD ARG 48 H ARG 48 9.751 8.047 3.815 428 HE ARG 48 H ARG 48 8.889 6.283 1.716 429 1HH1 ARG 48 H ARG 48 9.717 6.373 5.171 430 2HH1 ARG 48 H ARG 48 9.968 4.639 5.282 431 1HH2 ARG 48 H ARG 48 9.201 3.998 1.912 432 2HH2 ARG 48 H ARG 48 9.717 3.312 3.444 433 H THR 49 H THR 49 3.466 7.806 3.791 434 HA THR 49 HA THR 49 3.410 9.610 5.991 435 HB THR 49 HB THR 49 2.341 10.116 3.833 436 HG1 THR 49 HG1 THR 49 1.608 10.926 5.994 437 1HG2 THR 49 HG22 THR 49 1.422 7.863 3.346 438 2HG2 THR 49 HG23 THR 49 0.257 8.051 4.673 439 3HG2 THR 49 HG21 THR 49 0.171 9.114 3.252 440 H MET 50 H MET 50 1.851 6.426 5.467 441 HA MET 50 HA MET 50 0.132 6.497 7.727 442 1HB MET 50 HB2 MET 50 1.333 4.404 5.965 443 2HB MET 50 HB1 MET 50 0.781 3.859 7.562 444 1HG MET 50 HG1 MET 50 -0.926 5.555 5.712 445 2HG MET 50 HG2 MET 50 -0.951 3.784 5.686 446 1HE MET 50 HE2 MET 50 -3.385 5.940 6.184 447 2HE MET 50 HE1 MET 50 -3.638 4.193 5.971 448 3HE MET 50 HE3 MET 50 -4.348 5.028 7.370 449 H LYS 51 H LYS 51 3.622 5.888 7.395 450 HA LYS 51 HA LYS 51 3.876 4.983 10.166 451 1HB LYS 51 H LYS 51 5.869 5.617 7.959 452 2HB LYS 51 H LYS 51 6.343 5.081 9.586 453 1HG LYS 51 H LYS 51 4.262 3.328 8.623 454 2HG LYS 51 H LYS 51 5.504 3.468 7.359 455 1HD LYS 51 H LYS 51 6.173 2.908 10.283 456 2HD LYS 51 H LYS 51 5.881 1.621 9.091 457 1HE LYS 51 H LYS 51 7.665 2.715 7.634 458 2HE LYS 51 H LYS 51 8.062 3.746 9.023 459 1HZ LYS 51 H LYS 51 8.091 0.810 9.103 460 2HZ LYS 51 H LYS 51 9.422 1.734 8.804 461 3HZ LYS 51 H LYS 51 8.648 1.846 10.260 462 H LYS 52 H LYS 52 2.548 7.305 10.335 463 HA LYS 52 HA LYS 52 2.558 9.401 11.243 464 1HB LYS 52 H LYS 52 3.630 7.855 13.008 465 2HB LYS 52 H LYS 52 5.181 8.596 12.551 466 1HG LYS 52 H LYS 52 4.059 10.869 12.957 467 2HG LYS 52 H LYS 52 2.711 9.976 13.689 468 1HD LYS 52 H LYS 52 5.636 9.908 14.580 469 2HD LYS 52 H LYS 52 4.300 10.718 15.428 470 1HE LYS 52 H LYS 52 4.623 7.718 14.966 471 2HE LYS 52 H LYS 52 4.758 8.580 16.511 472 1HZ LYS 52 H LYS 52 2.445 9.209 16.261 473 2HZ LYS 52 H LYS 52 2.333 8.317 14.878 474 3HZ LYS 52 H LYS 52 2.637 7.571 16.316 475 H LEU 53 H LEU 53 3.259 9.768 8.733 476 HA LEU 53 HA LEU 53 5.315 11.885 8.912 477 1HB LEU 53 HB1 LEU 53 5.967 9.364 7.878 478 2HB LEU 53 HB2 LEU 53 5.557 10.303 6.431 479 HG LEU 53 HG LEU 53 7.947 10.489 6.874 480 1HD1 LEU 53 HD12 LEU 53 6.707 12.513 6.041 481 2HD1 LEU 53 HD13 LEU 53 6.627 13.102 7.718 482 3HD1 LEU 53 HD11 LEU 53 8.203 12.895 6.924 483 1HD2 LEU 53 HD21 LEU 53 7.676 10.034 9.381 484 2HD2 LEU 53 HD22 LEU 53 8.894 11.245 8.921 485 3HD2 LEU 53 HD23 LEU 53 7.320 11.767 9.558 No H/Q in entry = 485 Start of MODEL 3 1 1H ARG 1 H1 ARG 1 -14.192 14.679 -9.508 2 2H ARG 1 H2 ARG 1 -13.336 16.056 -9.810 3 3H ARG 1 H3 ARG 1 -14.436 15.509 -10.912 4 HA ARG 1 HA ARG 1 -13.154 13.546 -11.314 5 1HB ARG 1 H ARG 1 -12.813 15.648 -12.664 6 2HB ARG 1 H ARG 1 -11.483 16.083 -11.570 7 1HG ARG 1 H ARG 1 -10.381 15.020 -13.364 8 2HG ARG 1 H ARG 1 -10.514 13.723 -12.157 9 1HD ARG 1 H ARG 1 -12.480 12.809 -13.290 10 2HD ARG 1 H ARG 1 -12.507 14.171 -14.427 11 HE ARG 1 H ARG 1 -10.783 11.813 -14.512 12 1HH1 ARG 1 H ARG 1 -11.118 15.210 -15.487 13 2HH1 ARG 1 H ARG 1 -10.084 15.049 -16.885 14 1HH2 ARG 1 H ARG 1 -9.407 11.621 -16.353 15 2HH2 ARG 1 H ARG 1 -9.090 13.011 -17.365 16 H LYS 2 H LYS 2 -12.722 12.310 -9.422 17 HA LYS 2 HA LYS 2 -9.955 12.418 -8.557 18 1HB LYS 2 H LYS 2 -10.543 12.643 -6.107 19 2HB LYS 2 H LYS 2 -10.750 14.132 -7.050 20 1HG LYS 2 H LYS 2 -13.158 13.790 -7.190 21 2HG LYS 2 H LYS 2 -13.027 12.189 -6.431 22 1HD LYS 2 H LYS 2 -12.037 14.695 -5.023 23 2HD LYS 2 H LYS 2 -13.742 14.195 -4.936 24 1HE LYS 2 H LYS 2 -13.006 11.948 -4.102 25 2HE LYS 2 H LYS 2 -11.327 12.529 -4.092 26 1HZ LYS 2 H LYS 2 -11.985 14.215 -2.535 27 2HZ LYS 2 H LYS 2 -13.542 13.672 -2.540 28 3HZ LYS 2 H LYS 2 -12.338 12.715 -1.947 29 H ARG 3 H ARG 3 -11.272 10.474 -9.971 30 HA ARG 3 HA ARG 3 -12.473 8.475 -8.268 31 1HB ARG 3 H ARG 3 -12.895 8.741 -10.732 32 2HB ARG 3 H ARG 3 -11.240 8.168 -11.043 33 1HG ARG 3 H ARG 3 -12.842 6.448 -9.209 34 2HG ARG 3 H ARG 3 -13.454 6.535 -10.877 35 1HD ARG 3 H ARG 3 -11.404 5.719 -11.790 36 2HD ARG 3 H ARG 3 -10.521 6.013 -10.280 37 HE ARG 3 H ARG 3 -11.242 3.980 -9.458 38 1HH1 ARG 3 H ARG 3 -13.218 4.888 -12.261 39 2HH1 ARG 3 H ARG 3 -14.037 3.348 -12.350 40 1HH2 ARG 3 H ARG 3 -12.340 1.958 -9.578 41 2HH2 ARG 3 H ARG 3 -13.541 1.680 -10.816 42 H GLN 4 H GLN 4 -9.183 9.133 -9.509 43 HA GLN 4 HA GLN 4 -8.021 6.648 -8.705 44 1HB GLN 4 HB2 GLN 4 -7.020 8.236 -10.344 45 2HB GLN 4 HB1 GLN 4 -6.736 9.397 -9.026 46 1HG GLN 4 HG1 GLN 4 -5.317 7.714 -7.865 47 2HG GLN 4 HG2 GLN 4 -5.591 6.573 -9.198 48 1HE2 GLN 4 HE22 GLN 4 -2.404 8.832 -9.483 49 2HE2 GLN 4 HE21 GLN 4 -3.152 8.167 -8.048 50 H ALA 5 H ALA 5 -8.302 5.972 -6.622 51 HA ALA 5 HA ALA 5 -6.973 7.481 -4.511 52 1HB ALA 5 HB3 ALA 5 -9.203 8.557 -4.536 53 2HB ALA 5 HB2 ALA 5 -9.977 6.961 -4.386 54 3HB ALA 5 HB1 ALA 5 -8.976 7.594 -3.057 55 H TRP 6 H TRP 6 -7.189 6.217 -2.385 56 HA TRP 6 HA TRP 6 -6.869 3.335 -2.998 57 1HB TRP 6 HB2 TRP 6 -6.093 5.158 -0.708 58 2HB TRP 6 HB1 TRP 6 -6.039 3.398 -0.550 59 HD1 TRP 6 HD1 TRP 6 -4.643 6.004 -3.046 60 HE1 TRP 6 HE1 TRP 6 -2.240 5.353 -3.706 61 HE3 TRP 6 HE3 TRP 6 -4.214 1.677 -0.345 62 HZ2 TRP 6 HZ2 TRP 6 -0.402 3.241 -3.138 63 HZ3 TRP 6 HZ3 TRP 6 -2.106 0.373 -0.433 64 HH2 TRP 6 HH2 TRP 6 -0.208 1.148 -1.826 65 H LEU 7 H LEU 7 -7.748 1.780 -1.345 66 HA LEU 7 HA LEU 7 -10.142 2.756 0.063 67 1HB LEU 7 HB1 LEU 7 -11.374 0.652 -0.838 68 2HB LEU 7 HB2 LEU 7 -11.296 2.104 -1.843 69 HG LEU 7 HG LEU 7 -10.885 -0.080 -3.050 70 1HD1 LEU 7 HD12 LEU 7 -9.874 2.361 -3.586 71 2HD1 LEU 7 HD11 LEU 7 -8.349 1.465 -3.390 72 3HD1 LEU 7 HD13 LEU 7 -9.539 0.936 -4.594 73 1HD2 LEU 7 HD22 LEU 7 -9.482 -1.008 -1.122 74 2HD2 LEU 7 HD23 LEU 7 -8.899 -1.310 -2.771 75 3HD2 LEU 7 HD21 LEU 7 -8.143 -0.048 -1.778 76 H TRP 8 H TRP 8 -11.092 0.916 1.433 77 HA TRP 8 HA TRP 8 -9.267 0.325 3.406 78 1HB TRP 8 HB1 TRP 8 -10.952 -0.933 4.431 79 2HB TRP 8 HB2 TRP 8 -11.805 0.274 3.462 80 HD1 TRP 8 HD1 TRP 8 -11.395 -3.405 3.944 81 HE1 TRP 8 HE1 TRP 8 -12.977 -4.740 2.416 82 HE3 TRP 8 HE3 TRP 8 -13.010 0.410 0.938 83 HZ2 TRP 8 HZ2 TRP 8 -14.700 -4.217 0.201 84 HZ3 TRP 8 HZ3 TRP 8 -14.622 -0.058 -0.887 85 HH2 TRP 8 HH2 TRP 8 -15.471 -2.361 -1.260 86 H GLU 9 H GLU 9 -10.147 -1.848 0.645 87 HA GLU 9 HA GLU 9 -8.851 -4.154 1.635 88 1HB GLU 9 H GLU 9 -9.477 -3.153 -1.156 89 2HB GLU 9 H GLU 9 -8.567 -4.658 -0.913 90 1HG GLU 9 H GLU 9 -11.283 -4.052 0.319 91 2HG GLU 9 H GLU 9 -11.034 -5.027 -1.139 92 H GLU 10 H GLU 10 -7.515 -1.775 -0.758 93 HA GLU 10 HA GLU 10 -4.917 -2.876 -0.776 94 1HB GLU 10 H GLU 10 -5.945 -0.076 -1.354 95 2HB GLU 10 H GLU 10 -4.255 -0.566 -1.605 96 1HG GLU 10 H GLU 10 -5.077 -2.451 -3.059 97 2HG GLU 10 H GLU 10 -6.714 -1.779 -2.924 98 H ASP 11 H ASP 11 -6.295 -0.219 1.254 99 HA ASP 11 HA ASP 11 -3.854 0.505 2.503 100 1HB ASP 11 H ASP 11 -6.750 0.658 3.413 101 2HB ASP 11 H ASP 11 -5.405 1.356 4.337 102 H LYS 12 H LYS 12 -6.450 -1.695 3.720 103 HA LYS 12 HA LYS 12 -5.111 -2.515 6.072 104 1HB LYS 12 H LYS 12 -7.532 -2.857 5.487 105 2HB LYS 12 H LYS 12 -7.038 -4.106 4.321 106 1HG LYS 12 H LYS 12 -5.787 -5.160 6.393 107 2HG LYS 12 H LYS 12 -6.899 -4.151 7.345 108 1HD LYS 12 H LYS 12 -7.696 -6.203 5.222 109 2HD LYS 12 H LYS 12 -7.842 -6.414 6.983 110 1HE LYS 12 H LYS 12 -9.399 -4.486 7.088 111 2HE LYS 12 H LYS 12 -9.252 -4.265 5.332 112 1HZ LYS 12 H LYS 12 -10.292 -6.673 6.652 113 2HZ LYS 12 H LYS 12 -11.207 -5.502 5.937 114 3HZ LYS 12 H LYS 12 -10.188 -6.424 5.023 115 H ASN 13 H ASN 13 -5.238 -4.007 2.815 116 HA ASN 13 HA ASN 13 -3.643 -6.267 3.344 117 1HB ASN 13 HB2 ASN 13 -4.979 -6.147 1.367 118 2HB ASN 13 HB1 ASN 13 -4.213 -4.629 0.855 119 1HD2 ASN 13 HD21 ASN 13 -1.529 -6.128 -0.804 120 2HD2 ASN 13 HD22 ASN 13 -2.248 -4.647 -0.207 121 H LEU 14 H LEU 14 -2.721 -2.953 2.294 122 HA LEU 14 HA LEU 14 -0.050 -3.408 1.631 123 1HB LEU 14 HB2 LEU 14 -1.272 -1.282 1.286 124 2HB LEU 14 HB1 LEU 14 -1.250 -0.981 3.036 125 HG LEU 14 HG LEU 14 1.400 -1.588 1.807 126 1HD1 LEU 14 HD11 LEU 14 0.350 -0.198 0.045 127 2HD1 LEU 14 HD13 LEU 14 -0.060 1.033 1.262 128 3HD1 LEU 14 HD12 LEU 14 1.644 0.689 0.882 129 1HD2 LEU 14 HD23 LEU 14 1.059 -0.916 4.199 130 2HD2 LEU 14 HD22 LEU 14 2.100 0.214 3.316 131 3HD2 LEU 14 HD21 LEU 14 0.406 0.639 3.642 132 H ARG 15 H ARG 15 -1.429 -2.607 4.875 133 HA ARG 15 HA ARG 15 1.041 -2.568 6.256 134 1HB ARG 15 H ARG 15 -1.657 -3.463 7.351 135 2HB ARG 15 H ARG 15 -0.289 -2.793 8.267 136 1HG ARG 15 H ARG 15 -0.590 -0.786 6.496 137 2HG ARG 15 H ARG 15 -2.254 -1.406 6.462 138 1HD ARG 15 H ARG 15 -0.724 -0.637 8.985 139 2HD ARG 15 H ARG 15 -1.927 0.385 8.168 140 HE ARG 15 H ARG 15 -3.099 -2.153 8.706 141 1HH1 ARG 15 H ARG 15 -1.910 0.734 10.377 142 2HH1 ARG 15 H ARG 15 -3.013 0.578 11.724 143 1HH2 ARG 15 H ARG 15 -4.565 -2.350 10.482 144 2HH2 ARG 15 H ARG 15 -4.529 -1.182 11.782 145 H SER 16 H SER 16 -1.267 -5.265 5.652 146 HA SER 16 HA SER 16 0.189 -7.238 7.115 147 1HB SER 16 HB1 SER 16 -2.183 -7.469 6.455 148 2HB SER 16 HB2 SER 16 -1.706 -7.524 4.742 149 HG SER 16 HG SER 16 -1.168 -9.391 6.797 150 H GLY 17 H GLY 17 0.528 -5.949 3.824 151 1HA GLY 17 HA2 GLY 17 2.231 -8.134 2.925 152 2HA GLY 17 HA1 GLY 17 1.870 -6.622 2.066 153 H VAL 18 H VAL 18 2.851 -4.599 3.161 154 HA VAL 18 HA VAL 18 5.579 -4.643 2.823 155 HB VAL 18 HB VAL 18 3.887 -2.812 4.573 156 1HG1 VAL 18 HG12 VAL 18 6.767 -2.628 3.609 157 2HG1 VAL 18 HG13 VAL 18 5.821 -1.193 4.060 158 3HG1 VAL 18 HG11 VAL 18 6.149 -2.453 5.271 159 1HG2 VAL 18 HG23 VAL 18 3.287 -2.958 2.136 160 2HG2 VAL 18 HG22 VAL 18 3.912 -1.360 2.596 161 3HG2 VAL 18 HG21 VAL 18 4.959 -2.507 1.730 162 H ARG 19 H ARG 19 3.844 -5.291 5.923 163 HA ARG 19 HA ARG 19 6.151 -5.078 7.565 164 1HB ARG 19 H ARG 19 4.859 -6.108 9.278 165 2HB ARG 19 H ARG 19 3.738 -5.119 8.319 166 1HG ARG 19 H ARG 19 3.115 -7.194 7.031 167 2HG ARG 19 H ARG 19 4.127 -8.141 8.141 168 1HD ARG 19 H ARG 19 1.731 -6.421 8.912 169 2HD ARG 19 H ARG 19 1.762 -8.194 8.856 170 HE ARG 19 H ARG 19 2.795 -6.472 10.962 171 1HH1 ARG 19 H ARG 19 3.165 -9.619 9.369 172 2HH1 ARG 19 H ARG 19 3.853 -10.399 10.773 173 1HH2 ARG 19 H ARG 19 3.734 -7.505 12.798 174 2HH2 ARG 19 H ARG 19 4.195 -9.190 12.720 175 H LYS 20 H LYS 20 4.939 -7.840 5.590 176 HA LYS 20 HA LYS 20 7.124 -9.508 6.742 177 1HB LYS 20 H LYS 20 5.978 -11.425 5.833 178 2HB LYS 20 H LYS 20 4.812 -10.431 6.731 179 1HG LYS 20 H LYS 20 3.828 -9.587 4.711 180 2HG LYS 20 H LYS 20 5.177 -10.176 3.726 181 1HD LYS 20 H LYS 20 3.336 -11.694 3.379 182 2HD LYS 20 H LYS 20 4.561 -12.532 4.354 183 1HE LYS 20 H LYS 20 2.425 -13.011 5.350 184 2HE LYS 20 H LYS 20 3.239 -11.859 6.423 185 1HZ LYS 20 H LYS 20 1.198 -11.187 4.414 186 2HZ LYS 20 H LYS 20 0.961 -11.275 6.044 187 3HZ LYS 20 H LYS 20 1.949 -10.112 5.418 188 H TYR 21 H TYR 21 6.110 -7.911 3.733 189 HA TYR 21 HA TYR 21 8.045 -9.339 2.084 190 1HB TYR 21 HB2 TYR 21 6.135 -7.040 1.723 191 2HB TYR 21 HB1 TYR 21 7.441 -7.266 0.553 192 HD1 TYR 21 HD2 TYR 21 4.483 -8.956 2.091 193 HD2 TYR 21 HD1 TYR 21 7.295 -8.914 -1.165 194 HE1 TYR 21 HE2 TYR 21 3.136 -10.662 0.910 195 HE2 TYR 21 HE1 TYR 21 5.925 -10.619 -2.358 196 HH TYR 21 HH TYR 21 4.087 -11.974 -2.274 197 H GLY 22 H GLY 22 7.937 -6.345 3.997 198 1HA GLY 22 HA1 GLY 22 9.844 -5.275 4.867 199 2HA GLY 22 HA2 GLY 22 10.857 -6.052 3.630 200 H GLU 23 H GLU 23 10.622 -3.176 4.444 201 HA GLU 23 HA GLU 23 9.297 -1.795 2.254 202 1HB GLU 23 H GLU 23 11.253 -0.877 4.412 203 2HB GLU 23 H GLU 23 10.433 0.204 3.263 204 1HG GLU 23 H GLU 23 8.227 -0.744 4.099 205 2HG GLU 23 H GLU 23 9.140 -1.574 5.373 206 H GLY 24 H GLY 24 10.450 -3.166 0.566 207 1HA GLY 24 HA2 GLY 24 12.712 -1.634 -0.471 208 2HA GLY 24 HA1 GLY 24 13.121 -3.295 0.012 209 H ASN 25 H ASN 25 11.433 -4.999 -0.827 210 HA ASN 25 HA ASN 25 11.352 -4.643 -3.730 211 1HB ASN 25 HB2 ASN 25 10.363 -7.045 -3.554 212 2HB ASN 25 HB1 ASN 25 12.070 -6.776 -3.167 213 1HD2 ASN 25 HD22 ASN 25 9.615 -7.154 0.163 214 2HD2 ASN 25 HD21 ASN 25 9.063 -6.219 -1.216 215 H TRP 26 H TRP 26 9.798 -2.751 -3.365 216 HA TRP 26 HA TRP 26 7.073 -3.248 -2.657 217 1HB TRP 26 HB2 TRP 26 8.092 -1.195 -4.641 218 2HB TRP 26 HB1 TRP 26 6.637 -1.106 -3.637 219 HD1 TRP 26 HD1 TRP 26 10.272 -0.315 -3.663 220 HE1 TRP 26 HE1 TRP 26 11.025 0.792 -1.464 221 HE3 TRP 26 HE3 TRP 26 6.049 -1.106 -0.882 222 HZ2 TRP 26 HZ2 TRP 26 9.937 1.271 1.129 223 HZ3 TRP 26 HZ3 TRP 26 5.946 -0.290 1.460 224 HH2 TRP 26 HH2 TRP 26 7.879 0.898 2.465 225 H SER 27 H SER 27 8.994 -3.864 -5.531 226 HA SER 27 HA SER 27 6.980 -4.052 -7.493 227 1HB SER 27 HB2 SER 27 8.643 -5.707 -8.533 228 2HB SER 27 HB1 SER 27 9.278 -4.088 -8.154 229 HG SER 27 HG SER 27 10.664 -5.751 -7.409 230 H LYS 28 H LYS 28 8.459 -6.703 -5.514 231 HA LYS 28 HA LYS 28 6.768 -8.778 -6.333 232 1HB LYS 28 H LYS 28 8.153 -8.238 -3.676 233 2HB LYS 28 H LYS 28 7.307 -9.758 -4.045 234 1HG LYS 28 H LYS 28 8.815 -9.643 -6.259 235 2HG LYS 28 H LYS 28 9.862 -8.666 -5.207 236 1HD LYS 28 H LYS 28 8.782 -11.437 -4.496 237 2HD LYS 28 H LYS 28 10.398 -11.138 -5.171 238 1HE LYS 28 H LYS 28 9.446 -9.754 -2.636 239 2HE LYS 28 H LYS 28 10.196 -11.361 -2.596 240 1HZ LYS 28 H LYS 28 11.455 -9.017 -3.828 241 2HZ LYS 28 H LYS 28 11.733 -9.494 -2.272 242 3HZ LYS 28 H LYS 28 12.143 -10.486 -3.530 243 H ILE 29 H ILE 29 6.337 -6.505 -3.560 244 HA ILE 29 HA ILE 29 3.971 -7.542 -2.502 245 HB ILE 29 HB ILE 29 4.975 -4.677 -2.753 246 1HG1 ILE 29 HG12 ILE 29 4.921 -6.649 -0.429 247 2HG1 ILE 29 HG11 ILE 29 6.343 -6.318 -1.442 248 1HG2 ILE 29 HG23 ILE 29 2.658 -5.796 -1.117 249 2HG2 ILE 29 HG21 ILE 29 3.350 -4.169 -0.916 250 3HG2 ILE 29 HG22 ILE 29 2.550 -4.605 -2.436 251 1HD1 ILE 29 HD11 ILE 29 5.951 -3.822 -0.788 252 2HD1 ILE 29 HD13 ILE 29 4.940 -4.484 0.516 253 3HD1 ILE 29 HD12 ILE 29 6.663 -4.909 0.424 254 H LEU 30 H LEU 30 4.319 -5.052 -5.095 255 HA LEU 30 HA LEU 30 1.510 -4.821 -5.595 256 1HB LEU 30 HB1 LEU 30 3.401 -3.200 -6.204 257 2HB LEU 30 HB2 LEU 30 3.795 -4.303 -7.540 258 HG LEU 30 HG LEU 30 1.200 -4.070 -8.084 259 1HD1 LEU 30 HD12 LEU 30 0.784 -2.718 -5.992 260 2HD1 LEU 30 HD13 LEU 30 1.799 -1.431 -6.680 261 3HD1 LEU 30 HD11 LEU 30 0.285 -1.899 -7.489 262 1HD2 LEU 30 HD22 LEU 30 3.243 -1.872 -8.625 263 2HD2 LEU 30 HD23 LEU 30 3.031 -3.363 -9.574 264 3HD2 LEU 30 HD21 LEU 30 1.743 -2.135 -9.548 265 H LEU 31 H LEU 31 4.061 -6.965 -6.850 266 HA LEU 31 HA LEU 31 2.723 -7.876 -9.167 267 1HB LEU 31 HB2 LEU 31 5.213 -8.191 -8.095 268 2HB LEU 31 HB1 LEU 31 4.520 -9.774 -7.717 269 HG LEU 31 HG LEU 31 5.624 -9.934 -9.858 270 1HD1 LEU 31 HD12 LEU 31 3.324 -11.002 -9.585 271 2HD1 LEU 31 HD13 LEU 31 2.670 -9.634 -10.517 272 3HD1 LEU 31 HD11 LEU 31 3.855 -10.728 -11.260 273 1HD2 LEU 31 HD21 LEU 31 5.569 -7.438 -10.305 274 2HD2 LEU 31 HD23 LEU 31 5.224 -8.460 -11.720 275 3HD2 LEU 31 HD22 LEU 31 3.896 -7.640 -10.873 276 H HIS 32 H HIS 32 2.832 -9.346 -5.832 277 HA HIS 32 HA HIS 32 0.383 -10.853 -6.575 278 1HB HIS 32 HB2 HIS 32 1.495 -12.943 -5.622 279 2HB HIS 32 HB1 HIS 32 2.043 -12.401 -7.213 280 HD1 HIS 32 HD1 HIS 32 4.354 -13.536 -7.032 281 HD2 HIS 32 HD2 HIS 32 3.608 -10.742 -4.006 282 HE1 HIS 32 HE1 HIS 32 6.549 -13.098 -5.825 283 H TYR 33 H TYR 33 -0.082 -8.883 -4.941 284 HA TYR 33 HA TYR 33 -0.778 -10.301 -2.516 285 1HB TYR 33 HB2 TYR 33 1.668 -9.344 -2.249 286 2HB TYR 33 HB1 TYR 33 0.827 -7.810 -1.982 287 HD1 TYR 33 HD2 TYR 33 0.964 -11.374 -0.822 288 HD2 TYR 33 HD1 TYR 33 -0.103 -7.318 0.149 289 HE1 TYR 33 HE2 TYR 33 0.506 -12.056 1.522 290 HE2 TYR 33 HE1 TYR 33 -0.575 -8.006 2.486 291 HH TYR 33 HH TYR 33 -0.757 -9.764 3.964 292 H LYS 34 H LYS 34 -2.524 -9.463 -4.302 293 HA LYS 34 HA LYS 34 -4.366 -8.157 -4.697 294 1HB LYS 34 H LYS 34 -4.047 -7.940 -1.689 295 2HB LYS 34 H LYS 34 -5.436 -7.249 -2.555 296 1HG LYS 34 H LYS 34 -5.684 -9.609 -3.628 297 2HG LYS 34 H LYS 34 -4.607 -10.155 -2.320 298 1HD LYS 34 H LYS 34 -6.688 -10.427 -1.308 299 2HD LYS 34 H LYS 34 -6.282 -8.773 -0.795 300 1HE LYS 34 H LYS 34 -7.580 -7.884 -2.742 301 2HE LYS 34 H LYS 34 -8.020 -9.547 -3.182 302 1HZ LYS 34 H LYS 34 -9.020 -9.714 -0.956 303 2HZ LYS 34 H LYS 34 -8.766 -8.094 -0.735 304 3HZ LYS 34 H LYS 34 -9.761 -8.622 -1.942 305 H PHE 35 H PHE 35 -3.576 -6.533 -6.023 306 HA PHE 35 HA PHE 35 -3.675 -3.863 -4.821 307 1HB PHE 35 HB2 PHE 35 -1.159 -5.088 -5.918 308 2HB PHE 35 HB1 PHE 35 -1.488 -3.382 -6.267 309 HD1 PHE 35 HD1 PHE 35 -1.933 -1.795 -4.321 310 HD2 PHE 35 HD2 PHE 35 -0.319 -5.747 -3.786 311 HE1 PHE 35 HE1 PHE 35 -1.122 -1.157 -2.065 312 HE2 PHE 35 HE2 PHE 35 0.477 -5.112 -1.522 313 HZ PHE 35 HZ PHE 35 0.083 -2.815 -0.663 314 H ASN 36 H ASN 36 -4.333 -2.296 -6.262 315 HA ASN 36 HA ASN 36 -5.226 -3.324 -8.905 316 1HB ASN 36 HB1 ASN 36 -6.804 -2.282 -7.158 317 2HB ASN 36 HB2 ASN 36 -6.018 -0.733 -7.523 318 1HD2 ASN 36 HD22 ASN 36 -8.377 -2.598 -10.403 319 2HD2 ASN 36 HD21 ASN 36 -7.609 -3.541 -9.144 320 H ASN 37 H ASN 37 -5.408 -0.165 -9.425 321 HA ASN 37 HA ASN 37 -2.902 -0.089 -10.922 322 1HB ASN 37 HB2 ASN 37 -5.282 1.781 -10.628 323 2HB ASN 37 HB1 ASN 37 -3.842 2.205 -11.578 324 1HD2 ASN 37 HD22 ASN 37 -6.546 -0.579 -12.979 325 2HD2 ASN 37 HD21 ASN 37 -6.632 0.015 -11.334 326 H ARG 38 H ARG 38 -1.784 -0.323 -8.664 327 HA ARG 38 HA ARG 38 -1.251 2.411 -7.565 328 1HB ARG 38 H ARG 38 -0.845 -0.335 -6.302 329 2HB ARG 38 H ARG 38 -0.450 1.221 -5.542 330 1HG ARG 38 H ARG 38 -3.246 0.385 -6.453 331 2HG ARG 38 H ARG 38 -2.648 0.293 -4.785 332 1HD ARG 38 H ARG 38 -3.532 2.371 -4.587 333 2HD ARG 38 H ARG 38 -2.036 2.889 -5.383 334 HE ARG 38 H ARG 38 -3.229 2.983 -7.502 335 1HH1 ARG 38 H ARG 38 -5.415 2.051 -4.857 336 2HH1 ARG 38 H ARG 38 -6.699 3.134 -5.376 337 1HH2 ARG 38 H ARG 38 -5.061 4.071 -8.371 338 2HH2 ARG 38 H ARG 38 -6.590 4.030 -7.523 339 H THR 39 H THR 39 1.088 2.637 -6.780 340 HA THR 39 HA THR 39 2.991 1.145 -8.517 341 HB THR 39 HB THR 39 3.033 4.175 -8.187 342 HG1 THR 39 HG1 THR 39 2.187 4.161 -10.330 343 1HG2 THR 39 HG23 THR 39 4.437 2.196 -10.036 344 2HG2 THR 39 HG21 THR 39 4.477 3.961 -10.259 345 3HG2 THR 39 HG22 THR 39 5.187 3.235 -8.801 346 H SER 40 H SER 40 5.220 1.274 -7.747 347 HA SER 40 HA SER 40 5.575 0.806 -5.030 348 1HB SER 40 HB1 SER 40 8.007 1.327 -5.520 349 2HB SER 40 HB2 SER 40 7.247 0.171 -6.640 350 HG SER 40 HG SER 40 8.424 1.798 -7.742 351 H VAL 41 H VAL 41 5.897 3.908 -6.814 352 HA VAL 41 HA VAL 41 6.881 5.485 -4.685 353 HB VAL 41 HB VAL 41 5.078 6.235 -7.032 354 1HG1 VAL 41 HG13 VAL 41 6.798 7.924 -5.161 355 2HG1 VAL 41 HG11 VAL 41 6.078 8.518 -6.675 356 3HG1 VAL 41 HG12 VAL 41 5.029 7.996 -5.339 357 1HG2 VAL 41 HG22 VAL 41 8.109 6.254 -6.660 358 2HG2 VAL 41 HG21 VAL 41 7.185 5.193 -7.750 359 3HG2 VAL 41 HG23 VAL 41 7.251 6.942 -8.058 360 H MET 42 H MET 42 3.491 4.806 -5.723 361 HA MET 42 HA MET 42 2.257 6.444 -3.742 362 1HB MET 42 HB1 MET 42 1.219 3.967 -5.190 363 2HB MET 42 HB2 MET 42 0.222 5.120 -4.277 364 1HG MET 42 HG2 MET 42 1.951 5.830 -6.680 365 2HG MET 42 HG1 MET 42 0.208 5.541 -6.737 366 1HE MET 42 HE1 MET 42 -0.142 7.812 -7.971 367 2HE MET 42 HE2 MET 42 0.472 9.376 -7.386 368 3HE MET 42 HE3 MET 42 1.611 8.115 -7.917 369 H LEU 43 H LEU 43 3.156 2.954 -3.801 370 HA LEU 43 HA LEU 43 2.020 2.228 -1.315 371 1HB LEU 43 HB2 LEU 43 4.180 1.192 -3.113 372 2HB LEU 43 HB1 LEU 43 4.237 0.651 -1.423 373 HG LEU 43 HG LEU 43 1.748 0.063 -1.670 374 1HD1 LEU 43 HD11 LEU 43 1.366 1.390 -3.754 375 2HD1 LEU 43 HD12 LEU 43 2.465 0.296 -4.625 376 3HD1 LEU 43 HD13 LEU 43 0.937 -0.322 -3.959 377 1HD2 LEU 43 HD22 LEU 43 3.812 -1.398 -3.367 378 2HD2 LEU 43 HD21 LEU 43 3.515 -1.639 -1.629 379 3HD2 LEU 43 HD23 LEU 43 2.264 -2.082 -2.814 380 H LYS 44 H LYS 44 5.305 3.480 -2.102 381 HA LYS 44 HA LYS 44 6.335 3.442 0.538 382 1HB LYS 44 H LYS 44 6.943 5.117 -1.926 383 2HB LYS 44 H LYS 44 7.868 5.272 -0.415 384 1HG LYS 44 H LYS 44 8.669 3.043 -0.539 385 2HG LYS 44 H LYS 44 7.431 2.567 -1.718 386 1HD LYS 44 H LYS 44 9.652 2.840 -2.799 387 2HD LYS 44 H LYS 44 8.466 4.000 -3.434 388 1HE LYS 44 H LYS 44 10.675 5.059 -2.987 389 2HE LYS 44 H LYS 44 9.380 5.777 -2.010 390 1HZ LYS 44 H LYS 44 11.259 3.721 -1.072 391 2HZ LYS 44 H LYS 44 11.379 5.333 -0.752 392 3HZ LYS 44 H LYS 44 10.101 4.470 -0.168 393 H ASP 45 H ASP 45 4.898 6.184 -1.330 394 HA ASP 45 HA ASP 45 5.054 8.132 0.676 395 1HB ASP 45 H ASP 45 4.503 8.674 -1.619 396 2HB ASP 45 H ASP 45 3.018 7.702 -1.544 397 H ARG 46 H ARG 46 2.249 5.984 -0.094 398 HA ARG 46 HA ARG 46 0.584 6.936 1.982 399 1HB ARG 46 H ARG 46 0.725 4.239 0.573 400 2HB ARG 46 H ARG 46 -0.590 4.716 1.668 401 1HG ARG 46 H ARG 46 0.189 6.494 -0.665 402 2HG ARG 46 H ARG 46 -0.881 5.102 -0.912 403 1HD ARG 46 H ARG 46 -1.383 7.280 1.157 404 2HD ARG 46 H ARG 46 -2.083 7.279 -0.474 405 HE ARG 46 H ARG 46 -2.678 4.778 0.715 406 1HH1 ARG 46 H ARG 46 -3.418 8.218 1.113 407 2HH1 ARG 46 H ARG 46 -4.988 7.938 1.828 408 1HH2 ARG 46 H ARG 46 -4.751 4.410 1.673 409 2HH2 ARG 46 H ARG 46 -5.762 5.771 2.112 410 H TRP 47 H TRP 47 2.810 4.079 1.926 411 HA TRP 47 HA TRP 47 2.216 3.211 4.546 412 1HB TRP 47 HB1 TRP 47 3.416 1.880 2.862 413 2HB TRP 47 HB2 TRP 47 4.800 2.974 2.981 414 HD1 TRP 47 HD1 TRP 47 6.633 1.772 4.182 415 HE1 TRP 47 HE1 TRP 47 6.927 0.296 6.272 416 HE3 TRP 47 HE3 TRP 47 1.721 1.374 5.603 417 HZ2 TRP 47 HZ2 TRP 47 5.273 -0.870 8.270 418 HZ3 TRP 47 HZ3 TRP 47 1.133 0.073 7.626 419 HH2 TRP 47 HH2 TRP 47 2.895 -1.051 8.960 420 H ARG 48 H ARG 48 4.440 5.741 3.377 421 HA ARG 48 HA ARG 48 6.104 6.063 5.576 422 1HB ARG 48 H ARG 48 6.086 7.324 3.349 423 2HB ARG 48 H ARG 48 4.847 8.380 4.064 424 1HG ARG 48 H ARG 48 6.382 8.965 5.905 425 2HG ARG 48 H ARG 48 7.616 7.868 5.237 426 1HD ARG 48 H ARG 48 7.635 9.213 3.132 427 2HD ARG 48 H ARG 48 6.442 10.316 3.845 428 HE ARG 48 H ARG 48 8.113 11.310 5.109 429 1HH1 ARG 48 H ARG 48 9.274 8.216 3.823 430 2HH1 ARG 48 H ARG 48 10.941 8.508 4.258 431 1HH2 ARG 48 H ARG 48 10.317 11.687 5.672 432 2HH2 ARG 48 H ARG 48 11.532 10.477 5.330 433 H THR 49 H THR 49 2.809 7.494 5.114 434 HA THR 49 HA THR 49 2.893 8.519 7.871 435 HB THR 49 HB THR 49 1.946 9.712 5.737 436 HG1 THR 49 HG1 THR 49 0.504 9.612 8.193 437 1HG2 THR 49 HG22 THR 49 0.389 7.840 5.125 438 2HG2 THR 49 HG21 THR 49 -0.515 8.143 6.629 439 3HG2 THR 49 HG23 THR 49 -0.438 9.393 5.367 440 H MET 50 H MET 50 1.156 6.029 5.940 441 HA MET 50 HA MET 50 -0.751 5.284 7.881 442 1HB MET 50 HB1 MET 50 -0.485 4.607 5.393 443 2HB MET 50 HB2 MET 50 0.590 3.328 5.998 444 1HG MET 50 HG1 MET 50 -1.300 2.680 7.588 445 2HG MET 50 HG2 MET 50 -2.336 3.783 6.673 446 1HE MET 50 HE3 MET 50 -2.742 3.555 4.058 447 2HE MET 50 HE2 MET 50 -1.027 3.264 3.685 448 3HE MET 50 HE1 MET 50 -2.268 2.141 3.089 449 H LYS 51 H LYS 51 2.714 4.670 7.748 450 HA LYS 51 HA LYS 51 3.066 2.339 9.180 451 1HB LYS 51 H LYS 51 4.882 3.723 8.245 452 2HB LYS 51 H LYS 51 4.596 4.959 9.487 453 1HG LYS 51 H LYS 51 5.139 3.304 11.257 454 2HG LYS 51 H LYS 51 5.418 2.062 10.015 455 1HD LYS 51 H LYS 51 6.924 4.586 9.565 456 2HD LYS 51 H LYS 51 7.358 3.745 11.070 457 1HE LYS 51 H LYS 51 8.799 2.895 9.331 458 2HE LYS 51 H LYS 51 7.629 1.619 9.725 459 1HZ LYS 51 H LYS 51 6.362 2.290 7.810 460 2HZ LYS 51 H LYS 51 7.457 3.469 7.448 461 3HZ LYS 51 H LYS 51 7.903 1.879 7.375 462 H LYS 52 H LYS 52 2.284 5.604 10.543 463 HA LYS 52 HA LYS 52 1.275 4.246 12.963 464 1HB LYS 52 H LYS 52 2.619 5.419 14.518 465 2HB LYS 52 H LYS 52 3.758 4.821 13.298 466 1HG LYS 52 H LYS 52 2.586 7.637 13.161 467 2HG LYS 52 H LYS 52 4.038 7.266 14.102 468 1HD LYS 52 H LYS 52 5.321 7.290 12.258 469 2HD LYS 52 H LYS 52 4.272 6.116 11.442 470 1HE LYS 52 H LYS 52 2.753 7.902 10.731 471 2HE LYS 52 H LYS 52 3.680 9.098 11.659 472 1HZ LYS 52 H LYS 52 5.566 8.573 10.232 473 2HZ LYS 52 H LYS 52 4.608 7.590 9.312 474 3HZ LYS 52 H LYS 52 4.291 9.207 9.402 475 H LEU 53 H LEU 53 0.378 5.942 10.537 476 HA LEU 53 HA LEU 53 -1.470 7.269 10.221 477 1HB LEU 53 HB1 LEU 53 -2.089 6.643 12.687 478 2HB LEU 53 HB2 LEU 53 -1.424 8.245 13.086 479 HG LEU 53 HG LEU 53 -2.965 9.098 11.135 480 1HD1 LEU 53 HD11 LEU 53 -4.308 6.458 11.887 481 2HD1 LEU 53 HD12 LEU 53 -5.029 7.737 10.882 482 3HD1 LEU 53 HD13 LEU 53 -3.601 6.851 10.302 483 1HD2 LEU 53 HD21 LEU 53 -4.098 8.107 13.791 484 2HD2 LEU 53 HD23 LEU 53 -3.274 9.662 13.516 485 3HD2 LEU 53 HD22 LEU 53 -4.846 9.340 12.747 No H/Q in entry = 485 Start of MODEL 4 1 1H ARG 1 H1 ARG 1 -5.686 18.153 1.017 2 2H ARG 1 H2 ARG 1 -4.661 17.401 2.069 3 3H ARG 1 H3 ARG 1 -4.700 16.944 0.485 4 HA ARG 1 HA ARG 1 -5.816 15.326 1.779 5 1HB ARG 1 H ARG 1 -8.012 16.116 2.882 6 2HB ARG 1 H ARG 1 -6.488 16.490 3.715 7 1HG ARG 1 H ARG 1 -6.519 18.779 2.944 8 2HG ARG 1 H ARG 1 -7.861 18.454 1.824 9 1HD ARG 1 H ARG 1 -8.029 18.190 4.857 10 2HD ARG 1 H ARG 1 -8.573 19.612 3.945 11 HE ARG 1 H ARG 1 -9.933 17.046 4.203 12 1HH1 ARG 1 H ARG 1 -9.521 19.924 2.171 13 2HH1 ARG 1 H ARG 1 -11.089 19.777 1.413 14 1HH2 ARG 1 H ARG 1 -11.991 16.852 3.182 15 2HH2 ARG 1 H ARG 1 -12.492 18.022 1.984 16 H LYS 2 H LYS 2 -5.809 15.030 -0.617 17 HA LYS 2 HA LYS 2 -8.124 16.030 -2.097 18 1HB LYS 2 H LYS 2 -5.951 14.004 -2.785 19 2HB LYS 2 H LYS 2 -7.174 14.618 -3.922 20 1HG LYS 2 H LYS 2 -6.340 16.975 -3.339 21 2HG LYS 2 H LYS 2 -4.964 16.188 -2.531 22 1HD LYS 2 H LYS 2 -5.755 15.751 -5.451 23 2HD LYS 2 H LYS 2 -4.468 16.851 -4.901 24 1HE LYS 2 H LYS 2 -3.369 14.871 -3.764 25 2HE LYS 2 H LYS 2 -4.576 13.824 -4.542 26 1HZ LYS 2 H LYS 2 -3.796 14.609 -6.660 27 2HZ LYS 2 H LYS 2 -2.670 15.573 -5.934 28 3HZ LYS 2 H LYS 2 -2.560 13.933 -5.801 29 H ARG 3 H ARG 3 -9.488 14.386 -3.339 30 HA ARG 3 HA ARG 3 -10.640 12.513 -1.404 31 1HB ARG 3 H ARG 3 -11.418 13.146 -4.286 32 2HB ARG 3 H ARG 3 -12.401 12.262 -3.095 33 1HG ARG 3 H ARG 3 -12.216 14.353 -1.606 34 2HG ARG 3 H ARG 3 -11.593 15.196 -3.044 35 1HD ARG 3 H ARG 3 -14.261 13.725 -2.871 36 2HD ARG 3 H ARG 3 -14.051 15.487 -2.771 37 HE ARG 3 H ARG 3 -12.816 14.615 -5.162 38 1HH1 ARG 3 H ARG 3 -16.039 14.803 -3.704 39 2HH1 ARG 3 H ARG 3 -16.871 14.962 -5.233 40 1HH2 ARG 3 H ARG 3 -13.923 14.821 -7.179 41 2HH2 ARG 3 H ARG 3 -15.664 14.974 -7.214 42 H GLN 4 H GLN 4 -11.580 10.508 -3.181 43 HA GLN 4 HA GLN 4 -10.992 8.451 -3.977 44 1HB GLN 4 HB2 GLN 4 -8.592 9.940 -5.132 45 2HB GLN 4 HB1 GLN 4 -9.179 8.339 -5.636 46 1HG GLN 4 HG2 GLN 4 -11.393 9.389 -6.208 47 2HG GLN 4 HG1 GLN 4 -10.693 10.980 -5.837 48 1HE2 GLN 4 HE22 GLN 4 -8.403 10.898 -8.684 49 2HE2 GLN 4 HE21 GLN 4 -8.411 11.291 -6.980 50 H ALA 5 H ALA 5 -10.652 8.248 -1.501 51 HA ALA 5 HA ALA 5 -7.922 7.973 -0.569 52 1HB ALA 5 HB3 ALA 5 -9.834 8.586 0.903 53 2HB ALA 5 HB1 ALA 5 -10.549 6.979 0.619 54 3HB ALA 5 HB2 ALA 5 -8.993 7.124 1.472 55 H TRP 6 H TRP 6 -7.470 5.746 0.642 56 HA TRP 6 HA TRP 6 -7.279 3.745 -1.466 57 1HB TRP 6 HB2 TRP 6 -6.319 4.061 1.374 58 2HB TRP 6 HB1 TRP 6 -6.279 2.469 0.609 59 HD1 TRP 6 HD1 TRP 6 -5.220 5.936 -0.722 60 HE1 TRP 6 HE1 TRP 6 -2.818 5.788 -1.638 61 HE3 TRP 6 HE3 TRP 6 -4.268 1.036 0.342 62 HZ2 TRP 6 HZ2 TRP 6 -0.770 3.799 -1.865 63 HZ3 TRP 6 HZ3 TRP 6 -2.079 0.042 -0.248 64 HH2 TRP 6 HH2 TRP 6 -0.323 1.419 -1.328 65 H LEU 7 H LEU 7 -7.900 1.476 -1.111 66 HA LEU 7 HA LEU 7 -10.578 1.283 0.131 67 1HB LEU 7 HB1 LEU 7 -8.987 -0.699 -1.555 68 2HB LEU 7 HB2 LEU 7 -10.682 -0.875 -1.058 69 HG LEU 7 HG LEU 7 -9.615 1.420 -2.774 70 1HD1 LEU 7 HD12 LEU 7 -9.466 -0.757 -3.944 71 2HD1 LEU 7 HD13 LEU 7 -11.174 -1.080 -3.562 72 3HD1 LEU 7 HD11 LEU 7 -10.743 0.265 -4.645 73 1HD2 LEU 7 HD23 LEU 7 -12.406 0.535 -1.921 74 2HD2 LEU 7 HD22 LEU 7 -11.615 2.094 -1.591 75 3HD2 LEU 7 HD21 LEU 7 -12.106 1.681 -3.249 76 H TRP 8 H TRP 8 -11.037 -0.175 1.812 77 HA TRP 8 HA TRP 8 -9.144 -0.506 3.831 78 1HB TRP 8 HB2 TRP 8 -10.724 -2.104 4.802 79 2HB TRP 8 HB1 TRP 8 -11.563 -0.691 4.150 80 HD1 TRP 8 HD1 TRP 8 -13.084 -1.052 2.013 81 HE1 TRP 8 HE1 TRP 8 -14.235 -3.113 0.983 82 HE3 TRP 8 HE3 TRP 8 -10.439 -4.729 4.402 83 HZ2 TRP 8 HZ2 TRP 8 -14.033 -5.954 1.178 84 HZ3 TRP 8 HZ3 TRP 8 -10.955 -7.112 3.949 85 HH2 TRP 8 HH2 TRP 8 -12.745 -7.730 2.343 86 H GLU 9 H GLU 9 -9.961 -2.708 1.130 87 HA GLU 9 HA GLU 9 -8.457 -4.942 2.032 88 1HB GLU 9 H GLU 9 -10.198 -5.036 0.272 89 2HB GLU 9 H GLU 9 -9.182 -4.040 -0.792 90 1HG GLU 9 H GLU 9 -8.972 -6.418 -1.384 91 2HG GLU 9 H GLU 9 -7.431 -5.798 -0.768 92 H GLU 10 H GLU 10 -7.610 -2.208 -0.170 93 HA GLU 10 HA GLU 10 -4.971 -3.086 -0.751 94 1HB GLU 10 H GLU 10 -6.225 -0.312 -0.683 95 2HB GLU 10 H GLU 10 -4.594 -0.651 -1.302 96 1HG GLU 10 H GLU 10 -5.590 -2.289 -2.916 97 2HG GLU 10 H GLU 10 -7.206 -1.809 -2.357 98 H ASP 11 H ASP 11 -6.182 -0.738 1.728 99 HA ASP 11 HA ASP 11 -3.686 -0.097 2.868 100 1HB ASP 11 H ASP 11 -6.466 -0.295 4.095 101 2HB ASP 11 H ASP 11 -5.066 0.408 4.931 102 H LYS 12 H LYS 12 -5.999 -2.716 3.736 103 HA LYS 12 HA LYS 12 -4.536 -3.760 5.923 104 1HB LYS 12 H LYS 12 -6.840 -4.370 5.522 105 2HB LYS 12 H LYS 12 -6.438 -5.042 3.925 106 1HG LYS 12 H LYS 12 -5.054 -6.795 4.984 107 2HG LYS 12 H LYS 12 -5.367 -6.087 6.586 108 1HD LYS 12 H LYS 12 -7.083 -7.565 6.655 109 2HD LYS 12 H LYS 12 -7.921 -6.378 5.635 110 1HE LYS 12 H LYS 12 -6.279 -8.746 4.620 111 2HE LYS 12 H LYS 12 -8.052 -8.692 4.705 112 1HZ LYS 12 H LYS 12 -7.986 -6.824 3.193 113 2HZ LYS 12 H LYS 12 -6.343 -6.944 3.077 114 3HZ LYS 12 H LYS 12 -7.302 -8.169 2.525 115 H ASN 13 H ASN 13 -4.579 -4.775 2.463 116 HA ASN 13 HA ASN 13 -2.664 -6.854 2.742 117 1HB ASN 13 HB2 ASN 13 -3.465 -5.121 0.372 118 2HB ASN 13 HB1 ASN 13 -2.435 -6.559 0.258 119 1HD2 ASN 13 HD22 ASN 13 -5.929 -7.652 -0.485 120 2HD2 ASN 13 HD21 ASN 13 -4.663 -6.693 -1.239 121 H LEU 14 H LEU 14 -2.327 -3.356 2.183 122 HA LEU 14 HA LEU 14 0.455 -3.416 1.518 123 1HB LEU 14 HB2 LEU 14 -1.071 -1.528 1.009 124 2HB LEU 14 HB1 LEU 14 -1.271 -1.222 2.746 125 HG LEU 14 HG LEU 14 1.339 -1.008 2.784 126 1HD1 LEU 14 HD11 LEU 14 0.730 -0.611 -0.179 127 2HD1 LEU 14 HD12 LEU 14 2.265 -0.187 0.615 128 3HD1 LEU 14 HD13 LEU 14 1.752 -1.887 0.522 129 1HD2 LEU 14 HD22 LEU 14 -0.425 1.044 1.391 130 2HD2 LEU 14 HD21 LEU 14 -0.210 0.864 3.144 131 3HD2 LEU 14 HD23 LEU 14 1.154 1.383 2.129 132 H ARG 15 H ARG 15 -1.371 -2.944 4.611 133 HA ARG 15 HA ARG 15 1.014 -2.409 6.127 134 1HB ARG 15 H ARG 15 -1.375 -1.765 6.706 135 2HB ARG 15 H ARG 15 -1.641 -3.461 7.175 136 1HG ARG 15 H ARG 15 -0.047 -3.340 8.938 137 2HG ARG 15 H ARG 15 0.687 -1.856 8.291 138 1HD ARG 15 H ARG 15 -2.180 -2.014 9.304 139 2HD ARG 15 H ARG 15 -0.813 -1.517 10.320 140 HE ARG 15 H ARG 15 -2.115 0.037 8.202 141 1HH1 ARG 15 H ARG 15 0.920 -0.421 9.974 142 2HH1 ARG 15 H ARG 15 1.374 1.264 9.904 143 1HH2 ARG 15 H ARG 15 -1.534 2.277 8.176 144 2HH2 ARG 15 H ARG 15 -0.006 2.801 8.856 145 H SER 16 H SER 16 -1.034 -5.345 5.742 146 HA SER 16 HA SER 16 0.568 -7.000 7.431 147 1HB SER 16 HB2 SER 16 -1.171 -7.869 5.087 148 2HB SER 16 HB1 SER 16 -0.749 -8.808 6.538 149 HG SER 16 HG SER 16 -2.394 -6.507 6.337 150 H GLY 17 H GLY 17 0.495 -6.497 3.869 151 1HA GLY 17 HA1 GLY 17 2.392 -8.460 3.170 152 2HA GLY 17 HA2 GLY 17 2.009 -7.001 2.232 153 H VAL 18 H VAL 18 2.937 -4.884 3.473 154 HA VAL 18 HA VAL 18 5.733 -5.031 3.129 155 HB VAL 18 HB VAL 18 4.012 -3.000 4.613 156 1HG1 VAL 18 HG11 VAL 18 6.948 -3.028 3.841 157 2HG1 VAL 18 HG13 VAL 18 6.056 -1.511 4.071 158 3HG1 VAL 18 HG12 VAL 18 6.229 -2.651 5.424 159 1HG2 VAL 18 HG21 VAL 18 3.567 -3.345 2.152 160 2HG2 VAL 18 HG22 VAL 18 4.201 -1.728 2.526 161 3HG2 VAL 18 HG23 VAL 18 5.274 -2.965 1.830 162 H ARG 19 H ARG 19 3.744 -5.378 6.101 163 HA ARG 19 HA ARG 19 5.889 -5.256 7.963 164 1HB ARG 19 H ARG 19 3.498 -5.118 8.584 165 2HB ARG 19 H ARG 19 3.262 -6.804 8.080 166 1HG ARG 19 H ARG 19 3.545 -6.988 10.413 167 2HG ARG 19 H ARG 19 5.171 -7.344 9.798 168 1HD ARG 19 H ARG 19 5.451 -5.794 11.605 169 2HD ARG 19 H ARG 19 5.708 -4.866 10.112 170 HE ARG 19 H ARG 19 2.970 -4.656 10.747 171 1HH1 ARG 19 H ARG 19 6.116 -3.709 12.064 172 2HH1 ARG 19 H ARG 19 5.487 -2.347 12.959 173 1HH2 ARG 19 H ARG 19 2.136 -2.875 11.959 174 2HH2 ARG 19 H ARG 19 3.218 -1.855 12.877 175 H LYS 20 H LYS 20 4.394 -8.056 6.240 176 HA LYS 20 HA LYS 20 6.133 -9.988 7.495 177 1HB LYS 20 H LYS 20 4.277 -10.055 5.093 178 2HB LYS 20 H LYS 20 5.202 -11.475 5.638 179 1HG LYS 20 H LYS 20 4.178 -11.182 7.929 180 2HG LYS 20 H LYS 20 3.148 -9.900 7.258 181 1HD LYS 20 H LYS 20 3.247 -12.778 6.236 182 2HD LYS 20 H LYS 20 2.004 -12.130 7.332 183 1HE LYS 20 H LYS 20 1.488 -10.376 5.573 184 2HE LYS 20 H LYS 20 2.583 -11.240 4.473 185 1HZ LYS 20 H LYS 20 1.200 -13.179 4.745 186 2HZ LYS 20 H LYS 20 0.166 -12.344 5.722 187 3HZ LYS 20 H LYS 20 0.338 -11.909 4.138 188 H TYR 21 H TYR 21 5.965 -8.801 4.070 189 HA TYR 21 HA TYR 21 8.345 -10.151 3.281 190 1HB TYR 21 HB2 TYR 21 6.717 -7.873 2.143 191 2HB TYR 21 HB1 TYR 21 8.218 -8.405 1.367 192 HD1 TYR 21 HD1 TYR 21 8.434 -10.766 0.535 193 HD2 TYR 21 HD2 TYR 21 4.689 -9.173 1.944 194 HE1 TYR 21 HE1 TYR 21 7.219 -12.630 -0.572 195 HE2 TYR 21 HE2 TYR 21 3.481 -11.041 0.840 196 HH TYR 21 HH TYR 21 3.655 -12.927 -0.442 197 H GLY 22 H GLY 22 7.788 -6.715 4.269 198 1HA GLY 22 HA1 GLY 22 9.660 -5.921 5.794 199 2HA GLY 22 HA2 GLY 22 10.759 -6.417 4.490 200 H GLU 23 H GLU 23 10.377 -3.750 5.654 201 HA GLU 23 HA GLU 23 8.949 -2.161 3.662 202 1HB GLU 23 H GLU 23 9.050 -1.579 6.093 203 2HB GLU 23 H GLU 23 10.805 -1.332 5.936 204 1HG GLU 23 H GLU 23 10.482 0.489 4.376 205 2HG GLU 23 H GLU 23 8.744 0.142 4.247 206 H GLY 24 H GLY 24 9.883 -2.236 1.655 207 1HA GLY 24 HA2 GLY 24 12.090 -0.708 0.987 208 2HA GLY 24 HA1 GLY 24 12.747 -2.338 1.264 209 H ASN 25 H ASN 25 10.797 -4.017 0.332 210 HA ASN 25 HA ASN 25 11.025 -3.619 -2.556 211 1HB ASN 25 HB2 ASN 25 11.082 -5.819 -0.932 212 2HB ASN 25 HB1 ASN 25 9.386 -5.857 -1.457 213 1HD2 ASN 25 HD22 ASN 25 10.370 -6.075 -5.026 214 2HD2 ASN 25 HD21 ASN 25 9.266 -5.187 -4.002 215 H TRP 26 H TRP 26 9.316 -3.276 -4.006 216 HA TRP 26 HA TRP 26 6.651 -2.675 -2.794 217 1HB TRP 26 HB2 TRP 26 7.946 -1.095 -5.033 218 2HB TRP 26 HB1 TRP 26 6.478 -0.698 -4.126 219 HD1 TRP 26 HD1 TRP 26 9.924 0.282 -4.336 220 HE1 TRP 26 HE1 TRP 26 10.818 1.418 -2.204 221 HE3 TRP 26 HE3 TRP 26 6.188 -1.032 -1.091 222 HZ2 TRP 26 HZ2 TRP 26 10.023 1.706 0.520 223 HZ3 TRP 26 HZ3 TRP 26 6.304 -0.315 1.279 224 HH2 TRP 26 HH2 TRP 26 8.218 1.047 2.088 225 H SER 27 H SER 27 8.484 -3.396 -5.821 226 HA SER 27 HA SER 27 6.261 -4.006 -7.454 227 1HB SER 27 HB2 SER 27 8.562 -3.709 -8.298 228 2HB SER 27 HB1 SER 27 9.071 -5.195 -7.461 229 HG SER 27 HG SER 27 7.088 -4.999 -9.490 230 H LYS 28 H LYS 28 8.219 -6.106 -5.289 231 HA LYS 28 HA LYS 28 6.920 -8.551 -5.833 232 1HB LYS 28 H LYS 28 9.063 -8.256 -4.597 233 2HB LYS 28 H LYS 28 8.162 -7.579 -3.222 234 1HG LYS 28 H LYS 28 6.883 -9.688 -3.022 235 2HG LYS 28 H LYS 28 7.774 -10.374 -4.392 236 1HD LYS 28 H LYS 28 9.021 -9.412 -1.768 237 2HD LYS 28 H LYS 28 8.679 -11.109 -2.170 238 1HE LYS 28 H LYS 28 10.629 -9.245 -3.596 239 2HE LYS 28 H LYS 28 11.028 -10.660 -2.607 240 1HZ LYS 28 H LYS 28 9.840 -12.002 -4.233 241 2HZ LYS 28 H LYS 28 9.617 -10.670 -5.180 242 3HZ LYS 28 H LYS 28 11.141 -11.223 -4.882 243 H ILE 29 H ILE 29 6.188 -5.963 -3.442 244 HA ILE 29 HA ILE 29 4.057 -7.298 -2.129 245 HB ILE 29 HB ILE 29 4.270 -4.298 -2.614 246 1HG1 ILE 29 HG12 ILE 29 6.467 -5.049 -1.834 247 2HG1 ILE 29 HG11 ILE 29 5.624 -4.210 -0.522 248 1HG2 ILE 29 HG23 ILE 29 3.049 -6.012 -0.411 249 2HG2 ILE 29 HG21 ILE 29 3.240 -4.248 -0.309 250 3HG2 ILE 29 HG22 ILE 29 2.196 -4.959 -1.558 251 1HD1 ILE 29 HD12 ILE 29 4.947 -6.415 0.431 252 2HD1 ILE 29 HD11 ILE 29 5.851 -7.235 -0.863 253 3HD1 ILE 29 HD13 ILE 29 6.710 -6.234 0.329 254 H LEU 30 H LEU 30 4.124 -5.138 -5.008 255 HA LEU 30 HA LEU 30 1.301 -5.072 -5.401 256 1HB LEU 30 HB2 LEU 30 2.891 -3.464 -6.397 257 2HB LEU 30 HB1 LEU 30 3.580 -4.758 -7.401 258 HG LEU 30 HG LEU 30 0.627 -4.549 -7.596 259 1HD1 LEU 30 HD12 LEU 30 2.402 -2.265 -8.560 260 2HD1 LEU 30 HD13 LEU 30 0.695 -2.500 -9.007 261 3HD1 LEU 30 HD11 LEU 30 1.132 -2.162 -7.316 262 1HD2 LEU 30 HD23 LEU 30 2.047 -5.946 -9.087 263 2HD2 LEU 30 HD21 LEU 30 1.160 -4.712 -10.007 264 3HD2 LEU 30 HD22 LEU 30 2.888 -4.483 -9.649 265 H LEU 31 H LEU 31 3.872 -7.228 -6.705 266 HA LEU 31 HA LEU 31 2.302 -8.644 -8.555 267 1HB LEU 31 HB2 LEU 31 4.752 -9.297 -6.910 268 2HB LEU 31 HB1 LEU 31 4.001 -10.555 -7.914 269 HG LEU 31 HG LEU 31 4.616 -7.824 -9.086 270 1HD1 LEU 31 HD13 LEU 31 6.525 -10.186 -8.798 271 2HD1 LEU 31 HD11 LEU 31 6.800 -8.785 -9.861 272 3HD1 LEU 31 HD12 LEU 31 6.728 -8.564 -8.098 273 1HD2 LEU 31 HD21 LEU 31 3.201 -9.416 -10.368 274 2HD2 LEU 31 HD23 LEU 31 4.766 -9.157 -11.170 275 3HD2 LEU 31 HD22 LEU 31 4.478 -10.648 -10.243 276 H HIS 32 H HIS 32 2.857 -9.328 -5.050 277 HA HIS 32 HA HIS 32 1.090 -11.631 -5.086 278 1HB HIS 32 HB2 HIS 32 2.169 -9.979 -2.768 279 2HB HIS 32 HB1 HIS 32 1.407 -11.576 -2.646 280 HD1 HIS 32 HD1 HIS 32 2.785 -13.269 -4.706 281 HD2 HIS 32 HD2 HIS 32 4.845 -10.395 -2.472 282 HE1 HIS 32 HE1 HIS 32 5.252 -13.894 -4.732 283 H TYR 33 H TYR 33 0.849 -8.403 -3.475 284 HA TYR 33 HA TYR 33 -2.080 -8.751 -3.278 285 1HB TYR 33 HB2 TYR 33 -0.286 -6.525 -2.250 286 2HB TYR 33 HB1 TYR 33 -1.972 -6.830 -1.808 287 HD1 TYR 33 HD1 TYR 33 -2.532 -9.011 -0.563 288 HD2 TYR 33 HD2 TYR 33 1.493 -7.576 -1.095 289 HE1 TYR 33 HE1 TYR 33 -1.763 -10.463 1.303 290 HE2 TYR 33 HE2 TYR 33 2.258 -9.027 0.761 291 HH TYR 33 HH TYR 33 1.670 -10.583 2.329 292 H LYS 34 H LYS 34 -2.938 -8.385 -5.296 293 HA LYS 34 HA LYS 34 -1.985 -6.406 -7.122 294 1HB LYS 34 H LYS 34 -4.663 -7.834 -6.874 295 2HB LYS 34 H LYS 34 -4.158 -6.864 -8.278 296 1HG LYS 34 H LYS 34 -2.137 -8.359 -8.510 297 2HG LYS 34 H LYS 34 -2.797 -9.386 -7.217 298 1HD LYS 34 H LYS 34 -4.274 -8.720 -9.807 299 2HD LYS 34 H LYS 34 -3.328 -10.204 -9.547 300 1HE LYS 34 H LYS 34 -4.782 -10.676 -7.520 301 2HE LYS 34 H LYS 34 -5.801 -9.303 -8.005 302 1HZ LYS 34 H LYS 34 -6.200 -10.411 -10.080 303 2HZ LYS 34 H LYS 34 -5.256 -11.687 -9.631 304 3HZ LYS 34 H LYS 34 -6.655 -11.369 -8.817 305 H PHE 35 H PHE 35 -2.131 -4.250 -6.937 306 HA PHE 35 HA PHE 35 -4.227 -3.069 -5.198 307 1HB PHE 35 HB2 PHE 35 -1.714 -1.946 -6.491 308 2HB PHE 35 HB1 PHE 35 -2.856 -0.988 -5.538 309 HD1 PHE 35 HD1 PHE 35 -3.309 -1.705 -3.108 310 HD2 PHE 35 HD2 PHE 35 0.027 -3.140 -5.417 311 HE1 PHE 35 HE1 PHE 35 -2.141 -2.355 -1.017 312 HE2 PHE 35 HE2 PHE 35 1.196 -3.787 -3.326 313 HZ PHE 35 HZ PHE 35 0.113 -3.396 -1.123 314 H ASN 36 H ASN 36 -4.878 -0.733 -6.170 315 HA ASN 36 HA ASN 36 -6.513 -1.329 -8.465 316 1HB ASN 36 HB1 ASN 36 -7.279 0.222 -6.776 317 2HB ASN 36 HB2 ASN 36 -5.845 1.248 -6.986 318 1HD2 ASN 36 HD22 ASN 36 -8.856 1.286 -9.856 319 2HD2 ASN 36 HD21 ASN 36 -8.641 -0.106 -8.818 320 H ASN 37 H ASN 37 -4.179 1.395 -8.164 321 HA ASN 37 HA ASN 37 -2.822 0.618 -10.651 322 1HB ASN 37 HB1 ASN 37 -4.962 1.975 -11.219 323 2HB ASN 37 HB2 ASN 37 -4.122 3.362 -10.497 324 1HD2 ASN 37 HD22 ASN 37 -1.656 3.617 -13.116 325 2HD2 ASN 37 HD21 ASN 37 -1.897 3.859 -11.396 326 H ARG 38 H ARG 38 -1.684 0.437 -8.324 327 HA ARG 38 HA ARG 38 -0.334 3.012 -7.693 328 1HB ARG 38 H ARG 38 -0.505 0.430 -6.088 329 2HB ARG 38 H ARG 38 0.095 2.011 -5.524 330 1HG ARG 38 H ARG 38 -2.204 2.961 -6.084 331 2HG ARG 38 H ARG 38 -2.749 1.292 -6.370 332 1HD ARG 38 H ARG 38 -1.924 0.741 -4.028 333 2HD ARG 38 H ARG 38 -1.718 2.485 -3.781 334 HE ARG 38 H ARG 38 -4.220 0.980 -3.842 335 1HH1 ARG 38 H ARG 38 -2.738 4.155 -4.410 336 2HH1 ARG 38 H ARG 38 -4.216 5.042 -4.123 337 1HH2 ARG 38 H ARG 38 -6.157 2.160 -3.451 338 2HH2 ARG 38 H ARG 38 -6.151 3.913 -3.536 339 H THR 39 H THR 39 1.256 3.062 -9.277 340 HA THR 39 HA THR 39 2.827 0.677 -9.880 341 HB THR 39 HB THR 39 3.975 2.271 -11.457 342 HG1 THR 39 HG1 THR 39 3.638 4.155 -10.218 343 1HG2 THR 39 HG21 THR 39 1.939 0.975 -12.103 344 2HG2 THR 39 HG23 THR 39 0.923 2.324 -11.542 345 3HG2 THR 39 HG22 THR 39 2.021 2.552 -12.923 346 H SER 40 H SER 40 3.654 0.372 -7.666 347 HA SER 40 HA SER 40 5.329 0.371 -6.141 348 1HB SER 40 HB2 SER 40 7.581 0.687 -6.922 349 2HB SER 40 HB1 SER 40 6.634 -0.061 -8.225 350 HG SER 40 HG SER 40 6.429 2.032 -9.144 351 H VAL 41 H VAL 41 6.135 3.512 -7.760 352 HA VAL 41 HA VAL 41 6.979 4.879 -5.499 353 HB VAL 41 HB VAL 41 5.441 5.933 -7.916 354 1HG1 VAL 41 HG12 VAL 41 7.127 7.353 -5.805 355 2HG1 VAL 41 HG11 VAL 41 6.622 8.091 -7.343 356 3HG1 VAL 41 HG13 VAL 41 5.399 7.610 -6.146 357 1HG2 VAL 41 HG23 VAL 41 8.419 5.653 -7.304 358 2HG2 VAL 41 HG22 VAL 41 7.501 4.742 -8.526 359 3HG2 VAL 41 HG21 VAL 41 7.746 6.491 -8.722 360 H MET 42 H MET 42 3.621 4.517 -6.726 361 HA MET 42 HA MET 42 2.335 6.223 -4.890 362 1HB MET 42 HB1 MET 42 1.475 3.700 -6.342 363 2HB MET 42 HB2 MET 42 0.356 4.637 -5.325 364 1HG MET 42 HG2 MET 42 1.969 5.822 -7.618 365 2HG MET 42 HG1 MET 42 0.311 5.226 -7.787 366 1HE MET 42 HE1 MET 42 -0.426 7.502 -8.824 367 2HE MET 42 HE3 MET 42 -0.129 9.087 -8.074 368 3HE MET 42 HE2 MET 42 1.238 8.112 -8.662 369 H LEU 43 H LEU 43 3.114 2.712 -4.643 370 HA LEU 43 HA LEU 43 1.927 2.303 -2.090 371 1HB LEU 43 HB2 LEU 43 4.351 0.886 -3.289 372 2HB LEU 43 HB1 LEU 43 3.285 0.267 -2.011 373 HG LEU 43 HG LEU 43 2.416 0.902 -4.873 374 1HD1 LEU 43 HD11 LEU 43 3.906 -1.072 -4.712 375 2HD1 LEU 43 HD12 LEU 43 2.860 -1.754 -3.446 376 3HD1 LEU 43 HD13 LEU 43 2.238 -1.549 -5.100 377 1HD2 LEU 43 HD23 LEU 43 0.974 -0.273 -2.463 378 2HD2 LEU 43 HD22 LEU 43 0.552 1.200 -3.366 379 3HD2 LEU 43 HD21 LEU 43 0.363 -0.391 -4.127 380 H LYS 44 H LYS 44 5.274 3.174 -3.068 381 HA LYS 44 HA LYS 44 6.447 3.121 -0.502 382 1HB LYS 44 H LYS 44 7.610 3.274 -2.737 383 2HB LYS 44 H LYS 44 7.114 4.980 -2.822 384 1HG LYS 44 H LYS 44 8.235 4.929 -0.327 385 2HG LYS 44 H LYS 44 9.205 3.679 -1.130 386 1HD LYS 44 H LYS 44 8.772 6.550 -2.091 387 2HD LYS 44 H LYS 44 10.268 5.889 -1.395 388 1HE LYS 44 H LYS 44 8.959 5.043 -4.021 389 2HE LYS 44 H LYS 44 10.457 5.977 -3.838 390 1HZ LYS 44 H LYS 44 11.391 4.065 -2.701 391 2HZ LYS 44 H LYS 44 10.016 3.202 -2.994 392 3HZ LYS 44 H LYS 44 10.951 3.715 -4.253 393 H ASP 45 H ASP 45 5.227 6.004 -2.327 394 HA ASP 45 HA ASP 45 5.706 7.873 -0.274 395 1HB ASP 45 H ASP 45 5.298 8.501 -2.596 396 2HB ASP 45 H ASP 45 3.637 7.874 -2.504 397 H ARG 46 H ARG 46 2.671 6.058 -1.047 398 HA ARG 46 HA ARG 46 1.186 7.364 1.037 399 1HB ARG 46 H ARG 46 0.719 4.764 -0.464 400 2HB ARG 46 H ARG 46 -0.468 5.533 0.609 401 1HG ARG 46 H ARG 46 0.760 6.817 -1.887 402 2HG ARG 46 H ARG 46 -0.866 6.121 -1.788 403 1HD ARG 46 H ARG 46 0.208 8.561 -0.322 404 2HD ARG 46 H ARG 46 -1.077 8.509 -1.529 405 HE ARG 46 H ARG 46 -1.258 7.503 1.280 406 1HH1 ARG 46 H ARG 46 -2.873 8.316 -1.790 407 2HH1 ARG 46 H ARG 46 -4.463 8.393 -1.074 408 1HH2 ARG 46 H ARG 46 -3.368 7.576 2.183 409 2HH2 ARG 46 H ARG 46 -4.749 7.936 1.174 410 H TRP 47 H TRP 47 3.046 4.277 0.893 411 HA TRP 47 HA TRP 47 2.230 3.333 3.446 412 1HB TRP 47 HB1 TRP 47 3.383 1.877 1.903 413 2HB TRP 47 HB2 TRP 47 4.804 2.932 1.900 414 HD1 TRP 47 HD1 TRP 47 6.666 2.052 3.322 415 HE1 TRP 47 HE1 TRP 47 6.962 0.646 5.462 416 HE3 TRP 47 HE3 TRP 47 1.737 1.237 4.435 417 HZ2 TRP 47 HZ2 TRP 47 5.287 -0.657 7.365 418 HZ3 TRP 47 HZ3 TRP 47 1.127 -0.084 6.440 419 HH2 TRP 47 HH2 TRP 47 2.893 -1.041 7.902 420 H ARG 48 H ARG 48 4.921 5.481 2.424 421 HA ARG 48 HA ARG 48 6.279 5.770 4.844 422 1HB ARG 48 H ARG 48 7.063 6.752 2.759 423 2HB ARG 48 H ARG 48 5.634 7.793 2.670 424 1HG ARG 48 H ARG 48 6.380 8.827 4.888 425 2HG ARG 48 H ARG 48 7.900 7.930 4.698 426 1HD ARG 48 H ARG 48 7.969 10.321 3.838 427 2HD ARG 48 H ARG 48 8.422 9.087 2.645 428 HE ARG 48 H ARG 48 6.698 9.843 1.326 429 1HH1 ARG 48 H ARG 48 6.011 10.772 4.676 430 2HH1 ARG 48 H ARG 48 4.387 11.317 4.332 431 1HH2 ARG 48 H ARG 48 4.619 10.719 0.852 432 2HH2 ARG 48 H ARG 48 3.620 11.345 2.150 433 H THR 49 H THR 49 3.376 7.583 3.685 434 HA THR 49 HA THR 49 3.118 9.173 6.057 435 HB THR 49 HB THR 49 0.997 8.360 4.020 436 HG1 THR 49 HG1 THR 49 1.700 10.111 2.881 437 1HG2 THR 49 HG21 THR 49 1.252 10.728 5.930 438 2HG2 THR 49 HG22 THR 49 0.000 10.560 4.677 439 3HG2 THR 49 HG23 THR 49 0.060 9.412 6.035 440 H MET 50 H MET 50 1.600 6.087 4.965 441 HA MET 50 HA MET 50 -0.154 5.802 7.203 442 1HB MET 50 HB2 MET 50 1.045 3.841 5.218 443 2HB MET 50 HB1 MET 50 -0.138 3.360 6.452 444 1HG MET 50 HG1 MET 50 -1.793 4.865 5.577 445 2HG MET 50 HG2 MET 50 -0.619 5.638 4.505 446 1HE MET 50 HE3 MET 50 -2.273 5.482 2.525 447 2HE MET 50 HE2 MET 50 -3.069 3.986 1.989 448 3HE MET 50 HE1 MET 50 -3.483 4.693 3.566 449 H LYS 51 H LYS 51 3.298 5.245 6.835 450 HA LYS 51 HA LYS 51 3.620 3.370 8.986 451 1HB LYS 51 H LYS 51 5.276 4.814 7.102 452 2HB LYS 51 H LYS 51 5.941 5.036 8.731 453 1HG LYS 51 H LYS 51 5.090 2.294 7.752 454 2HG LYS 51 H LYS 51 6.687 2.950 7.339 455 1HD LYS 51 H LYS 51 5.743 2.991 10.217 456 2HD LYS 51 H LYS 51 6.402 1.491 9.525 457 1HE LYS 51 H LYS 51 7.883 4.131 9.269 458 2HE LYS 51 H LYS 51 8.055 3.111 10.712 459 1HZ LYS 51 H LYS 51 8.513 2.131 7.979 460 2HZ LYS 51 H LYS 51 9.710 2.732 8.945 461 3HZ LYS 51 H LYS 51 8.886 1.379 9.399 462 H LYS 52 H LYS 52 3.913 6.954 8.740 463 HA LYS 52 HA LYS 52 4.163 7.183 11.660 464 1HB LYS 52 H LYS 52 5.422 8.609 9.948 465 2HB LYS 52 H LYS 52 3.870 9.400 9.598 466 1HG LYS 52 H LYS 52 3.806 9.622 12.281 467 2HG LYS 52 H LYS 52 5.568 9.499 12.086 468 1HD LYS 52 H LYS 52 5.166 11.822 11.959 469 2HD LYS 52 H LYS 52 5.277 11.335 10.250 470 1HE LYS 52 H LYS 52 2.841 11.271 10.061 471 2HE LYS 52 H LYS 52 2.658 11.559 11.804 472 1HZ LYS 52 H LYS 52 3.842 13.428 9.874 473 2HZ LYS 52 H LYS 52 2.335 13.545 10.534 474 3HZ LYS 52 H LYS 52 3.669 13.696 11.493 475 H LEU 53 H LEU 53 1.935 5.946 11.627 476 HA LEU 53 HA LEU 53 -0.402 7.503 10.968 477 1HB LEU 53 HB2 LEU 53 -1.645 5.685 11.798 478 2HB LEU 53 HB1 LEU 53 -0.178 4.935 11.140 479 HG LEU 53 HG LEU 53 -0.578 5.628 14.096 480 1HD1 LEU 53 HD11 LEU 53 -2.169 3.894 13.327 481 2HD1 LEU 53 HD13 LEU 53 -0.816 2.959 12.646 482 3HD1 LEU 53 HD12 LEU 53 -0.931 3.207 14.404 483 1HD2 LEU 53 HD22 LEU 53 1.548 4.090 12.547 484 2HD2 LEU 53 HD21 LEU 53 1.776 5.510 13.595 485 3HD2 LEU 53 HD23 LEU 53 1.339 3.943 14.307 No H/Q in entry = 485 Start of MODEL 5 1 1H ARG 1 H2 ARG 1 -14.676 11.954 -9.421 2 2H ARG 1 H1 ARG 1 -15.378 11.662 -7.959 3 3H ARG 1 H3 ARG 1 -14.533 13.055 -8.204 4 HA ARG 1 HA ARG 1 -13.245 11.589 -6.893 5 1HB ARG 1 H ARG 1 -12.412 9.465 -8.269 6 2HB ARG 1 H ARG 1 -13.892 9.422 -7.295 7 1HG ARG 1 H ARG 1 -14.379 8.401 -9.432 8 2HG ARG 1 H ARG 1 -15.227 9.955 -9.378 9 1HD ARG 1 H ARG 1 -13.490 10.994 -10.761 10 2HD ARG 1 H ARG 1 -12.511 9.516 -10.703 11 HE ARG 1 H ARG 1 -14.855 10.042 -12.378 12 1HH1 ARG 1 H ARG 1 -12.818 7.543 -10.896 13 2HH1 ARG 1 H ARG 1 -13.199 6.333 -12.096 14 1HH2 ARG 1 H ARG 1 -15.357 8.431 -13.950 15 2HH2 ARG 1 H ARG 1 -14.660 6.834 -13.828 16 H LYS 2 H LYS 2 -12.474 13.824 -7.801 17 HA LYS 2 HA LYS 2 -10.725 13.783 -10.088 18 1HB LYS 2 H LYS 2 -10.003 16.015 -9.229 19 2HB LYS 2 H LYS 2 -11.769 15.854 -9.373 20 1HG LYS 2 H LYS 2 -12.044 15.611 -7.006 21 2HG LYS 2 H LYS 2 -10.311 15.308 -6.756 22 1HD LYS 2 H LYS 2 -10.868 17.592 -6.059 23 2HD LYS 2 H LYS 2 -9.803 17.637 -7.482 24 1HE LYS 2 H LYS 2 -12.771 17.617 -7.972 25 2HE LYS 2 H LYS 2 -12.067 19.104 -7.306 26 1HZ LYS 2 H LYS 2 -11.175 17.756 -9.759 27 2HZ LYS 2 H LYS 2 -12.097 19.122 -9.690 28 3HZ LYS 2 H LYS 2 -10.543 19.147 -9.136 29 H ARG 3 H ARG 3 -10.367 12.763 -6.768 30 HA ARG 3 HA ARG 3 -7.585 12.002 -7.311 31 1HB ARG 3 H ARG 3 -7.440 14.324 -6.384 32 2HB ARG 3 H ARG 3 -8.311 13.774 -4.933 33 1HG ARG 3 H ARG 3 -6.510 12.099 -4.508 34 2HG ARG 3 H ARG 3 -5.635 12.693 -5.938 35 1HD ARG 3 H ARG 3 -6.406 14.397 -3.528 36 2HD ARG 3 H ARG 3 -4.803 13.680 -3.778 37 HE ARG 3 H ARG 3 -5.928 16.027 -5.110 38 1HH1 ARG 3 H ARG 3 -3.566 13.391 -5.360 39 2HH1 ARG 3 H ARG 3 -2.482 14.283 -6.401 40 1HH2 ARG 3 H ARG 3 -4.493 17.189 -6.491 41 2HH2 ARG 3 H ARG 3 -3.026 16.436 -7.071 42 H GLN 4 H GLN 4 -8.046 9.847 -7.067 43 HA GLN 4 HA GLN 4 -9.783 8.852 -4.978 44 1HB GLN 4 HB1 GLN 4 -9.216 7.825 -7.303 45 2HB GLN 4 HB2 GLN 4 -7.730 7.234 -6.530 46 1HG GLN 4 HG1 GLN 4 -10.509 6.731 -5.382 47 2HG GLN 4 HG2 GLN 4 -9.736 5.630 -6.538 48 1HE2 GLN 4 HE21 GLN 4 -8.931 5.220 -2.639 49 2HE2 GLN 4 HE22 GLN 4 -10.315 6.052 -3.316 50 H ALA 5 H ALA 5 -9.257 8.505 -2.884 51 HA ALA 5 HA ALA 5 -6.548 8.971 -1.955 52 1HB ALA 5 HB3 ALA 5 -9.082 8.024 -0.546 53 2HB ALA 5 HB2 ALA 5 -7.562 8.462 0.273 54 3HB ALA 5 HB1 ALA 5 -8.473 9.693 -0.633 55 H TRP 6 H TRP 6 -7.983 6.413 -0.186 56 HA TRP 6 HA TRP 6 -6.631 4.279 -1.724 57 1HB TRP 6 HB2 TRP 6 -5.907 5.210 1.064 58 2HB TRP 6 HB1 TRP 6 -5.665 3.529 0.572 59 HD1 TRP 6 HD1 TRP 6 -4.504 7.066 -0.374 60 HE1 TRP 6 HE1 TRP 6 -2.165 6.959 -1.449 61 HE3 TRP 6 HE3 TRP 6 -3.940 1.988 -0.559 62 HZ2 TRP 6 HZ2 TRP 6 -0.315 4.935 -2.275 63 HZ3 TRP 6 HZ3 TRP 6 -1.856 1.008 -1.483 64 HH2 TRP 6 HH2 TRP 6 -0.046 2.480 -2.333 65 H LEU 7 H LEU 7 -7.550 2.238 -1.365 66 HA LEU 7 HA LEU 7 -10.206 2.349 -0.079 67 1HB LEU 7 HB1 LEU 7 -8.779 0.387 -1.903 68 2HB LEU 7 HB2 LEU 7 -10.290 -0.037 -1.073 69 HG LEU 7 HG LEU 7 -11.171 2.244 -2.073 70 1HD1 LEU 7 HD12 LEU 7 -8.855 1.540 -3.937 71 2HD1 LEU 7 HD11 LEU 7 -10.151 2.697 -4.317 72 3HD1 LEU 7 HD13 LEU 7 -9.027 3.030 -2.985 73 1HD2 LEU 7 HD21 LEU 7 -11.988 -0.040 -2.642 74 2HD2 LEU 7 HD23 LEU 7 -11.943 1.021 -4.070 75 3HD2 LEU 7 HD22 LEU 7 -10.673 -0.200 -3.830 76 H TRP 8 H TRP 8 -10.903 0.868 1.497 77 HA TRP 8 HA TRP 8 -9.221 0.396 3.673 78 1HB TRP 8 HB2 TRP 8 -11.027 -0.938 4.538 79 2HB TRP 8 HB1 TRP 8 -11.725 0.418 3.639 80 HD1 TRP 8 HD1 TRP 8 -11.611 -3.315 3.775 81 HE1 TRP 8 HE1 TRP 8 -13.130 -4.381 1.989 82 HE3 TRP 8 HE3 TRP 8 -12.724 0.879 1.045 83 HZ2 TRP 8 HZ2 TRP 8 -14.600 -3.530 -0.303 84 HZ3 TRP 8 HZ3 TRP 8 -14.179 0.697 -0.948 85 HH2 TRP 8 HH2 TRP 8 -15.121 -1.495 -1.628 86 H GLU 9 H GLU 9 -10.022 -1.723 0.898 87 HA GLU 9 HA GLU 9 -8.787 -4.072 1.924 88 1HB GLU 9 H GLU 9 -9.042 -4.939 -0.307 89 2HB GLU 9 H GLU 9 -10.460 -3.919 0.033 90 1HG GLU 9 H GLU 9 -9.206 -2.014 -1.127 91 2HG GLU 9 H GLU 9 -8.022 -3.226 -1.658 92 H GLU 10 H GLU 10 -7.563 -1.330 -0.055 93 HA GLU 10 HA GLU 10 -4.983 -2.485 -0.539 94 1HB GLU 10 H GLU 10 -5.908 0.419 -0.466 95 2HB GLU 10 H GLU 10 -4.341 -0.139 -1.089 96 1HG GLU 10 H GLU 10 -5.444 -1.478 -2.810 97 2HG GLU 10 H GLU 10 -7.040 -1.066 -2.155 98 H ASP 11 H ASP 11 -6.340 -0.362 2.019 99 HA ASP 11 HA ASP 11 -3.921 0.283 3.321 100 1HB ASP 11 H ASP 11 -6.724 -0.126 4.445 101 2HB ASP 11 H ASP 11 -5.385 0.632 5.325 102 H LYS 12 H LYS 12 -6.262 -2.367 4.167 103 HA LYS 12 HA LYS 12 -4.478 -3.445 6.148 104 1HB LYS 12 H LYS 12 -6.082 -5.299 6.280 105 2HB LYS 12 H LYS 12 -6.909 -3.729 6.270 106 1HG LYS 12 H LYS 12 -8.203 -4.658 4.648 107 2HG LYS 12 H LYS 12 -6.835 -4.311 3.578 108 1HD LYS 12 H LYS 12 -5.907 -6.597 4.113 109 2HD LYS 12 H LYS 12 -7.381 -6.923 5.054 110 1HE LYS 12 H LYS 12 -8.765 -6.580 3.047 111 2HE LYS 12 H LYS 12 -7.319 -6.174 2.097 112 1HZ LYS 12 H LYS 12 -6.504 -8.378 2.510 113 2HZ LYS 12 H LYS 12 -7.847 -8.757 3.388 114 3HZ LYS 12 H LYS 12 -7.980 -8.437 1.775 115 H ASN 13 H ASN 13 -5.059 -4.251 2.689 116 HA ASN 13 HA ASN 13 -3.551 -6.678 2.688 117 1HB ASN 13 HB2 ASN 13 -5.163 -5.977 0.926 118 2HB ASN 13 HB1 ASN 13 -4.047 -4.685 0.435 119 1HD2 ASN 13 HD21 ASN 13 -3.111 -7.129 -2.010 120 2HD2 ASN 13 HD22 ASN 13 -4.139 -5.748 -1.701 121 H LEU 14 H LEU 14 -2.659 -3.269 1.968 122 HA LEU 14 HA LEU 14 0.059 -3.835 1.283 123 1HB LEU 14 HB2 LEU 14 -1.149 -1.764 0.653 124 2HB LEU 14 HB1 LEU 14 -1.228 -1.286 2.363 125 HG LEU 14 HG LEU 14 1.501 -1.991 1.434 126 1HD1 LEU 14 HD12 LEU 14 0.603 -0.949 -0.625 127 2HD1 LEU 14 HD13 LEU 14 0.081 0.465 0.320 128 3HD1 LEU 14 HD11 LEU 14 1.815 0.094 0.157 129 1HD2 LEU 14 HD21 LEU 14 0.277 0.441 2.818 130 2HD2 LEU 14 HD23 LEU 14 1.036 -0.949 3.627 131 3HD2 LEU 14 HD22 LEU 14 2.019 0.136 2.619 132 H ARG 15 H ARG 15 -1.488 -2.628 4.309 133 HA ARG 15 HA ARG 15 0.828 -2.361 5.848 134 1HB ARG 15 H ARG 15 -1.357 -1.520 6.514 135 2HB ARG 15 H ARG 15 -1.986 -3.175 6.665 136 1HG ARG 15 H ARG 15 -0.563 -3.648 8.534 137 2HG ARG 15 H ARG 15 0.417 -2.193 8.248 138 1HD ARG 15 H ARG 15 -1.127 -1.861 10.142 139 2HD ARG 15 H ARG 15 -1.518 -0.765 8.807 140 HE ARG 15 H ARG 15 -3.061 -3.180 9.646 141 1HH1 ARG 15 H ARG 15 -2.774 -0.382 7.467 142 2HH1 ARG 15 H ARG 15 -4.484 -0.310 7.130 143 1HH2 ARG 15 H ARG 15 -5.314 -3.058 9.184 144 2HH2 ARG 15 H ARG 15 -5.916 -1.871 8.050 145 H SER 16 H SER 16 -1.187 -5.325 5.326 146 HA SER 16 HA SER 16 0.386 -6.901 7.180 147 1HB SER 16 HB2 SER 16 -0.890 -8.798 6.204 148 2HB SER 16 HB1 SER 16 -1.948 -7.450 6.682 149 HG SER 16 HG SER 16 -2.486 -8.178 4.616 150 H GLY 17 H GLY 17 0.187 -6.754 3.572 151 1HA GLY 17 HA1 GLY 17 2.119 -8.698 2.989 152 2HA GLY 17 HA2 GLY 17 1.711 -7.317 1.952 153 H VAL 18 H VAL 18 2.561 -5.196 3.671 154 HA VAL 18 HA VAL 18 5.285 -5.016 2.963 155 HB VAL 18 HB VAL 18 3.501 -3.498 4.888 156 1HG1 VAL 18 HG13 VAL 18 6.481 -3.198 4.397 157 2HG1 VAL 18 HG11 VAL 18 5.474 -1.823 4.887 158 3HG1 VAL 18 HG12 VAL 18 5.615 -3.238 5.951 159 1HG2 VAL 18 HG23 VAL 18 3.348 -3.315 2.330 160 2HG2 VAL 18 HG21 VAL 18 3.628 -1.789 3.200 161 3HG2 VAL 18 HG22 VAL 18 4.977 -2.605 2.378 162 H ARG 19 H ARG 19 3.758 -5.969 6.096 163 HA ARG 19 HA ARG 19 6.311 -6.203 7.436 164 1HB ARG 19 H ARG 19 3.448 -6.719 8.057 165 2HB ARG 19 H ARG 19 4.596 -7.796 8.881 166 1HG ARG 19 H ARG 19 4.512 -6.016 10.382 167 2HG ARG 19 H ARG 19 5.908 -5.549 9.390 168 1HD ARG 19 H ARG 19 4.527 -3.590 9.577 169 2HD ARG 19 H ARG 19 4.283 -4.219 7.935 170 HE ARG 19 H ARG 19 2.067 -4.608 8.436 171 1HH1 ARG 19 H ARG 19 3.876 -4.052 11.433 172 2HH1 ARG 19 H ARG 19 2.479 -4.216 12.468 173 1HH2 ARG 19 H ARG 19 0.260 -5.004 9.832 174 2HH2 ARG 19 H ARG 19 0.408 -4.718 11.549 175 H LYS 20 H LYS 20 4.219 -8.401 5.562 176 HA LYS 20 HA LYS 20 5.491 -10.827 6.372 177 1HB LYS 20 H LYS 20 3.270 -10.701 5.296 178 2HB LYS 20 H LYS 20 4.028 -10.158 3.783 179 1HG LYS 20 H LYS 20 5.273 -12.246 3.587 180 2HG LYS 20 H LYS 20 4.705 -12.789 5.179 181 1HD LYS 20 H LYS 20 2.907 -12.220 2.771 182 2HD LYS 20 H LYS 20 3.452 -13.836 3.264 183 1HE LYS 20 H LYS 20 1.631 -11.938 4.808 184 2HE LYS 20 H LYS 20 1.233 -13.538 4.152 185 1HZ LYS 20 H LYS 20 2.853 -14.459 5.694 186 2HZ LYS 20 H LYS 20 3.083 -12.967 6.359 187 3HZ LYS 20 H LYS 20 1.609 -13.697 6.462 188 H TYR 21 H TYR 21 6.006 -8.710 3.474 189 HA TYR 21 HA TYR 21 8.368 -10.345 2.760 190 1HB TYR 21 HB2 TYR 21 6.912 -8.072 1.371 191 2HB TYR 21 HB1 TYR 21 8.352 -8.878 0.723 192 HD1 TYR 21 HD1 TYR 21 8.186 -11.547 0.646 193 HD2 TYR 21 HD2 TYR 21 4.807 -8.874 0.700 194 HE1 TYR 21 HE1 TYR 21 6.756 -13.333 -0.322 195 HE2 TYR 21 HE2 TYR 21 3.385 -10.662 -0.279 196 HH TYR 21 HH TYR 21 3.283 -12.824 -1.019 197 H GLY 22 H GLY 22 7.631 -6.824 3.215 198 1HA GLY 22 HA2 GLY 22 9.285 -5.827 4.946 199 2HA GLY 22 HA1 GLY 22 10.521 -6.368 3.787 200 H GLU 23 H GLU 23 9.125 -3.631 4.751 201 HA GLU 23 HA GLU 23 7.967 -2.462 2.456 202 1HB GLU 23 H GLU 23 8.054 -0.454 3.630 203 2HB GLU 23 H GLU 23 8.115 -1.644 4.940 204 1HG GLU 23 H GLU 23 9.860 -0.295 5.595 205 2HG GLU 23 H GLU 23 10.757 -1.423 4.567 206 H GLY 24 H GLY 24 8.859 -0.905 0.931 207 1HA GLY 24 HA1 GLY 24 10.613 0.036 -0.334 208 2HA GLY 24 HA2 GLY 24 11.785 -0.985 0.525 209 H ASN 25 H ASN 25 10.348 -3.494 0.221 210 HA ASN 25 HA ASN 25 11.165 -4.135 -2.523 211 1HB ASN 25 HB1 ASN 25 9.924 -5.909 -0.379 212 2HB ASN 25 HB2 ASN 25 10.766 -6.441 -1.849 213 1HD2 ASN 25 HD22 ASN 25 12.852 -5.357 1.514 214 2HD2 ASN 25 HD21 ASN 25 11.107 -5.217 1.419 215 H TRP 26 H TRP 26 9.221 -2.357 -2.857 216 HA TRP 26 HA TRP 26 6.535 -3.176 -2.753 217 1HB TRP 26 HB2 TRP 26 7.725 -1.477 -4.956 218 2HB TRP 26 HB1 TRP 26 6.117 -1.365 -4.226 219 HD1 TRP 26 HD1 TRP 26 9.307 0.301 -4.191 220 HE1 TRP 26 HE1 TRP 26 9.672 1.787 -2.124 221 HE3 TRP 26 HE3 TRP 26 5.507 -1.463 -1.251 222 HZ2 TRP 26 HZ2 TRP 26 8.489 2.149 0.443 223 HZ3 TRP 26 HZ3 TRP 26 5.164 -0.515 1.016 224 HH2 TRP 26 HH2 TRP 26 6.654 1.279 1.868 225 H SER 27 H SER 27 8.964 -3.559 -5.373 226 HA SER 27 HA SER 27 7.391 -4.668 -7.365 227 1HB SER 27 HB2 SER 27 10.194 -5.577 -6.602 228 2HB SER 27 HB1 SER 27 9.443 -5.626 -8.216 229 HG SER 27 HG SER 27 10.783 -3.799 -7.971 230 H LYS 28 H LYS 28 8.779 -6.303 -4.479 231 HA LYS 28 HA LYS 28 7.872 -8.922 -5.343 232 1HB LYS 28 H LYS 28 9.888 -8.684 -3.968 233 2HB LYS 28 H LYS 28 8.957 -7.864 -2.699 234 1HG LYS 28 H LYS 28 8.838 -9.938 -1.770 235 2HG LYS 28 H LYS 28 7.523 -10.199 -2.922 236 1HD LYS 28 H LYS 28 10.459 -10.874 -3.431 237 2HD LYS 28 H LYS 28 9.221 -12.044 -2.925 238 1HE LYS 28 H LYS 28 9.299 -10.465 -5.530 239 2HE LYS 28 H LYS 28 9.504 -12.213 -5.328 240 1HZ LYS 28 H LYS 28 7.240 -12.325 -4.537 241 2HZ LYS 28 H LYS 28 7.046 -10.700 -4.770 242 3HZ LYS 28 H LYS 28 7.312 -11.691 -6.060 243 H ILE 29 H ILE 29 6.804 -6.472 -2.926 244 HA ILE 29 HA ILE 29 4.743 -7.995 -1.753 245 HB ILE 29 HB ILE 29 5.055 -4.994 -2.175 246 1HG1 ILE 29 HG12 ILE 29 5.301 -6.544 0.420 247 2HG1 ILE 29 HG11 ILE 29 6.671 -6.477 -0.709 248 1HG2 ILE 29 HG23 ILE 29 3.034 -6.563 -0.507 249 2HG2 ILE 29 HG22 ILE 29 3.346 -4.825 -0.311 250 3HG2 ILE 29 HG21 ILE 29 2.678 -5.438 -1.839 251 1HD1 ILE 29 HD12 ILE 29 5.225 -4.040 0.420 252 2HD1 ILE 29 HD13 ILE 29 6.775 -4.675 1.013 253 3HD1 ILE 29 HD11 ILE 29 6.655 -4.022 -0.634 254 H LEU 30 H LEU 30 4.425 -5.531 -4.411 255 HA LEU 30 HA LEU 30 1.656 -6.080 -4.806 256 1HB LEU 30 HB1 LEU 30 1.835 -4.685 -6.776 257 2HB LEU 30 HB2 LEU 30 2.792 -3.974 -5.462 258 HG LEU 30 HG LEU 30 4.719 -5.498 -6.650 259 1HD1 LEU 30 HD11 LEU 30 2.841 -4.599 -8.885 260 2HD1 LEU 30 HD13 LEU 30 4.485 -5.240 -9.113 261 3HD1 LEU 30 HD12 LEU 30 3.208 -6.283 -8.455 262 1HD2 LEU 30 HD23 LEU 30 4.798 -3.058 -6.126 263 2HD2 LEU 30 HD22 LEU 30 5.454 -3.407 -7.741 264 3HD2 LEU 30 HD21 LEU 30 3.818 -2.730 -7.572 265 H LEU 31 H LEU 31 4.502 -7.828 -5.855 266 HA LEU 31 HA LEU 31 3.539 -8.993 -8.238 267 1HB LEU 31 HB2 LEU 31 5.833 -9.200 -6.759 268 2HB LEU 31 HB1 LEU 31 5.069 -10.747 -6.361 269 HG LEU 31 HG LEU 31 6.483 -11.113 -8.275 270 1HD1 LEU 31 HD11 LEU 31 4.148 -12.121 -8.304 271 2HD1 LEU 31 HD12 LEU 31 3.679 -10.815 -9.420 272 3HD1 LEU 31 HD13 LEU 31 4.936 -11.979 -9.891 273 1HD2 LEU 31 HD21 LEU 31 6.648 -8.709 -8.956 274 2HD2 LEU 31 HD22 LEU 31 6.367 -9.806 -10.327 275 3HD2 LEU 31 HD23 LEU 31 5.030 -8.830 -9.682 276 H HIS 32 H HIS 32 3.217 -10.076 -4.821 277 HA HIS 32 HA HIS 32 1.333 -12.194 -5.626 278 1HB HIS 32 HB2 HIS 32 2.302 -11.324 -2.874 279 2HB HIS 32 HB1 HIS 32 1.419 -12.812 -3.263 280 HD1 HIS 32 HD1 HIS 32 2.741 -14.663 -4.684 281 HD2 HIS 32 HD2 HIS 32 5.054 -11.454 -3.321 282 HE1 HIS 32 HE1 HIS 32 5.188 -15.325 -4.910 283 H TYR 33 H TYR 33 1.370 -9.293 -3.475 284 HA TYR 33 HA TYR 33 -1.569 -9.370 -3.300 285 1HB TYR 33 HB2 TYR 33 0.573 -7.616 -2.050 286 2HB TYR 33 HB1 TYR 33 -1.157 -7.422 -1.757 287 HD1 TYR 33 HD1 TYR 33 -2.336 -9.881 -1.214 288 HD2 TYR 33 HD2 TYR 33 1.714 -8.704 -0.340 289 HE1 TYR 33 HE1 TYR 33 -2.236 -11.575 0.598 290 HE2 TYR 33 HE2 TYR 33 1.809 -10.399 1.472 291 HH TYR 33 HH TYR 33 0.688 -12.031 2.606 292 H LYS 34 H LYS 34 -1.579 -9.044 -5.753 293 HA LYS 34 HA LYS 34 -0.843 -6.524 -6.873 294 1HB LYS 34 H LYS 34 -1.320 -8.647 -8.133 295 2HB LYS 34 H LYS 34 -3.045 -8.432 -7.753 296 1HG LYS 34 H LYS 34 -3.047 -6.250 -8.918 297 2HG LYS 34 H LYS 34 -1.305 -6.408 -9.240 298 1HD LYS 34 H LYS 34 -2.451 -7.078 -11.248 299 2HD LYS 34 H LYS 34 -1.833 -8.565 -10.489 300 1HE LYS 34 H LYS 34 -4.016 -9.104 -9.596 301 2HE LYS 34 H LYS 34 -4.660 -7.509 -10.046 302 1HZ LYS 34 H LYS 34 -3.740 -9.572 -11.924 303 2HZ LYS 34 H LYS 34 -5.313 -9.212 -11.583 304 3HZ LYS 34 H LYS 34 -4.356 -8.098 -12.333 305 H PHE 35 H PHE 35 -1.658 -4.585 -6.348 306 HA PHE 35 HA PHE 35 -4.236 -4.341 -4.992 307 1HB PHE 35 HB2 PHE 35 -2.305 -2.223 -5.998 308 2HB PHE 35 HB1 PHE 35 -3.624 -1.979 -4.841 309 HD1 PHE 35 HD1 PHE 35 -3.521 -3.221 -2.599 310 HD2 PHE 35 HD2 PHE 35 -0.149 -2.898 -5.263 311 HE1 PHE 35 HE1 PHE 35 -1.985 -3.776 -0.728 312 HE2 PHE 35 HE2 PHE 35 1.383 -3.455 -3.388 313 HZ PHE 35 HZ PHE 35 0.466 -3.893 -1.121 314 H ASN 36 H ASN 36 -5.341 -2.029 -5.955 315 HA ASN 36 HA ASN 36 -6.750 -2.932 -8.274 316 1HB ASN 36 HB2 ASN 36 -6.576 -0.237 -6.868 317 2HB ASN 36 HB1 ASN 36 -7.676 -0.569 -8.223 318 1HD2 ASN 36 HD22 ASN 36 -8.603 -1.797 -4.440 319 2HD2 ASN 36 HD21 ASN 36 -7.190 -0.811 -4.819 320 H ASN 37 H ASN 37 -4.816 0.097 -7.958 321 HA ASN 37 HA ASN 37 -3.363 -0.490 -10.432 322 1HB ASN 37 HB2 ASN 37 -5.595 0.445 -11.172 323 2HB ASN 37 HB1 ASN 37 -5.212 1.931 -10.279 324 1HD2 ASN 37 HD21 ASN 37 -2.941 0.962 -13.638 325 2HD2 ASN 37 HD22 ASN 37 -3.627 -0.306 -12.644 326 H ARG 38 H ARG 38 -2.299 -0.375 -7.984 327 HA ARG 38 HA ARG 38 -1.489 2.354 -7.300 328 1HB ARG 38 H ARG 38 -1.699 -0.153 -5.968 329 2HB ARG 38 H ARG 38 0.028 0.263 -5.974 330 1HG ARG 38 H ARG 38 -0.926 1.251 -4.006 331 2HG ARG 38 H ARG 38 -0.640 2.576 -5.155 332 1HD ARG 38 H ARG 38 -3.167 1.909 -5.882 333 2HD ARG 38 H ARG 38 -3.218 1.392 -4.183 334 HE ARG 38 H ARG 38 -2.067 3.973 -4.263 335 1HH1 ARG 38 H ARG 38 -5.187 2.317 -4.629 336 2HH1 ARG 38 H ARG 38 -6.125 3.799 -4.535 337 1HH2 ARG 38 H ARG 38 -3.324 5.903 -4.124 338 2HH2 ARG 38 H ARG 38 -5.065 5.790 -3.976 339 H THR 39 H THR 39 0.766 3.001 -7.160 340 HA THR 39 HA THR 39 2.553 1.592 -9.090 341 HB THR 39 HB THR 39 3.325 3.832 -9.844 342 HG1 THR 39 HG1 THR 39 1.986 5.612 -9.232 343 1HG2 THR 39 HG23 THR 39 1.483 2.595 -11.038 344 2HG2 THR 39 HG22 THR 39 0.297 3.520 -10.086 345 3HG2 THR 39 HG21 THR 39 1.381 4.362 -11.218 346 H SER 40 H SER 40 4.869 2.179 -8.748 347 HA SER 40 HA SER 40 5.714 1.628 -6.154 348 1HB SER 40 HB1 SER 40 7.238 3.213 -8.260 349 2HB SER 40 HB2 SER 40 7.928 2.236 -6.942 350 HG SER 40 HG SER 40 6.889 0.414 -7.901 351 H VAL 41 H VAL 41 5.476 4.864 -7.750 352 HA VAL 41 HA VAL 41 6.544 6.327 -5.575 353 HB VAL 41 HB VAL 41 6.353 7.242 -7.838 354 1HG1 VAL 41 HG12 VAL 41 4.131 6.191 -8.394 355 2HG1 VAL 41 HG11 VAL 41 3.346 7.396 -7.347 356 3HG1 VAL 41 HG13 VAL 41 4.225 7.916 -8.800 357 1HG2 VAL 41 HG22 VAL 41 6.408 8.755 -5.833 358 2HG2 VAL 41 HG21 VAL 41 5.589 9.475 -7.239 359 3HG2 VAL 41 HG23 VAL 41 4.630 8.830 -5.888 360 H MET 42 H MET 42 3.125 5.426 -6.339 361 HA MET 42 HA MET 42 1.969 6.905 -4.198 362 1HB MET 42 HB2 MET 42 1.102 5.030 -6.224 363 2HB MET 42 HB1 MET 42 0.428 4.533 -4.656 364 1HG MET 42 HG1 MET 42 -1.130 6.077 -5.621 365 2HG MET 42 HG2 MET 42 -0.308 6.917 -4.301 366 1HE MET 42 HE3 MET 42 -0.041 6.156 -8.124 367 2HE MET 42 HE2 MET 42 -1.505 7.135 -7.885 368 3HE MET 42 HE1 MET 42 -0.131 7.798 -8.801 369 H LEU 43 H LEU 43 3.053 3.480 -4.429 370 HA LEU 43 HA LEU 43 2.303 2.694 -1.818 371 1HB LEU 43 HB2 LEU 43 4.563 1.765 -3.637 372 2HB LEU 43 HB1 LEU 43 4.060 0.916 -2.159 373 HG LEU 43 HG LEU 43 1.996 1.601 -4.273 374 1HD1 LEU 43 HD11 LEU 43 3.856 0.469 -5.460 375 2HD1 LEU 43 HD13 LEU 43 3.803 -0.851 -4.270 376 3HD1 LEU 43 HD12 LEU 43 2.417 -0.570 -5.351 377 1HD2 LEU 43 HD22 LEU 43 1.285 0.730 -2.065 378 2HD2 LEU 43 HD21 LEU 43 0.924 -0.426 -3.364 379 3HD2 LEU 43 HD23 LEU 43 2.322 -0.696 -2.295 380 H LYS 44 H LYS 44 5.399 4.074 -3.046 381 HA LYS 44 HA LYS 44 6.848 3.965 -0.619 382 1HB LYS 44 H LYS 44 6.949 5.776 -3.056 383 2HB LYS 44 H LYS 44 8.065 5.993 -1.691 384 1HG LYS 44 H LYS 44 8.957 3.772 -1.958 385 2HG LYS 44 H LYS 44 7.698 3.341 -3.139 386 1HD LYS 44 H LYS 44 8.567 5.073 -4.693 387 2HD LYS 44 H LYS 44 9.830 5.497 -3.512 388 1HE LYS 44 H LYS 44 10.719 3.183 -3.639 389 2HE LYS 44 H LYS 44 9.461 2.766 -4.823 390 1HZ LYS 44 H LYS 44 10.379 4.422 -6.284 391 2HZ LYS 44 H LYS 44 11.550 4.802 -5.185 392 3HZ LYS 44 H LYS 44 11.526 3.306 -5.880 393 H ASP 45 H ASP 45 5.238 6.853 -2.070 394 HA ASP 45 HA ASP 45 5.581 8.561 0.119 395 1HB ASP 45 H ASP 45 3.350 8.458 -1.953 396 2HB ASP 45 H ASP 45 3.673 9.836 -0.880 397 H ARG 46 H ARG 46 2.863 6.289 -0.562 398 HA ARG 46 HA ARG 46 1.209 7.165 1.555 399 1HB ARG 46 H ARG 46 0.255 5.769 -0.121 400 2HB ARG 46 H ARG 46 1.492 4.514 0.102 401 1HG ARG 46 H ARG 46 -0.637 3.821 1.136 402 2HG ARG 46 H ARG 46 0.607 4.041 2.380 403 1HD ARG 46 H ARG 46 -0.318 6.409 2.712 404 2HD ARG 46 H ARG 46 -1.673 5.939 1.673 405 HE ARG 46 H ARG 46 -1.188 5.161 4.445 406 1HH1 ARG 46 H ARG 46 -2.660 4.108 1.405 407 2HH1 ARG 46 H ARG 46 -3.958 3.221 2.186 408 1HH2 ARG 46 H ARG 46 -2.911 3.992 5.454 409 2HH2 ARG 46 H ARG 46 -4.092 3.149 4.467 410 H TRP 47 H TRP 47 3.443 4.293 1.498 411 HA TRP 47 HA TRP 47 3.035 3.648 4.210 412 1HB TRP 47 HB2 TRP 47 4.157 2.267 2.401 413 2HB TRP 47 HB1 TRP 47 5.616 3.229 2.692 414 HD1 TRP 47 HD1 TRP 47 7.220 2.052 4.229 415 HE1 TRP 47 HE1 TRP 47 7.132 0.420 6.219 416 HE3 TRP 47 HE3 TRP 47 2.135 1.530 4.628 417 HZ2 TRP 47 HZ2 TRP 47 5.136 -0.913 7.764 418 HZ3 TRP 47 HZ3 TRP 47 1.179 0.055 6.383 419 HH2 TRP 47 HH2 TRP 47 2.672 -1.163 7.949 420 H ARG 48 H ARG 48 5.346 5.927 2.686 421 HA ARG 48 HA ARG 48 6.901 6.478 4.991 422 1HB ARG 48 H ARG 48 6.115 8.166 2.586 423 2HB ARG 48 H ARG 48 7.267 8.719 3.820 424 1HG ARG 48 H ARG 48 7.689 6.001 2.581 425 2HG ARG 48 H ARG 48 8.094 7.442 1.622 426 1HD ARG 48 H ARG 48 9.545 8.259 3.459 427 2HD ARG 48 H ARG 48 9.124 6.832 4.428 428 HE ARG 48 H ARG 48 10.610 5.559 3.192 429 1HH1 ARG 48 H ARG 48 9.900 8.569 1.456 430 2HH1 ARG 48 H ARG 48 11.158 8.338 0.266 431 1HH2 ARG 48 H ARG 48 12.260 5.256 1.610 432 2HH2 ARG 48 H ARG 48 12.499 6.444 0.350 433 H THR 49 H THR 49 3.895 8.052 3.747 434 HA THR 49 HA THR 49 3.708 9.745 6.130 435 HB THR 49 HB THR 49 1.599 10.524 5.027 436 HG1 THR 49 HG1 THR 49 2.397 8.744 2.959 437 1HG2 THR 49 HG22 THR 49 3.789 11.574 4.519 438 2HG2 THR 49 HG23 THR 49 4.048 10.397 3.210 439 3HG2 THR 49 HG21 THR 49 2.721 11.577 3.095 440 H MET 50 H MET 50 3.379 6.571 6.040 441 HA MET 50 HA MET 50 0.858 6.526 7.649 442 1HB MET 50 HB1 MET 50 0.884 5.175 5.498 443 2HB MET 50 HB2 MET 50 2.196 4.206 6.200 444 1HG MET 50 HG2 MET 50 0.127 3.047 6.597 445 2HG MET 50 HG1 MET 50 0.698 3.687 8.144 446 1HE MET 50 HE1 MET 50 -2.203 2.563 7.676 447 2HE MET 50 HE3 MET 50 -1.627 3.228 9.224 448 3HE MET 50 HE2 MET 50 -3.176 3.776 8.541 449 H LYS 51 H LYS 51 4.279 5.575 7.372 450 HA LYS 51 HA LYS 51 4.240 4.319 10.032 451 1HB LYS 51 H LYS 51 5.515 3.228 8.265 452 2HB LYS 51 H LYS 51 6.412 4.725 7.932 453 1HG LYS 51 H LYS 51 7.741 3.128 9.304 454 2HG LYS 51 H LYS 51 7.435 4.648 10.173 455 1HD LYS 51 H LYS 51 5.667 3.622 11.485 456 2HD LYS 51 H LYS 51 5.718 2.144 10.492 457 1HE LYS 51 H LYS 51 7.941 1.606 11.294 458 2HE LYS 51 H LYS 51 8.083 3.180 12.108 459 1HZ LYS 51 H LYS 51 6.153 1.076 12.794 460 2HZ LYS 51 H LYS 51 7.529 1.430 13.631 461 3HZ LYS 51 H LYS 51 6.303 2.532 13.553 462 H LYS 52 H LYS 52 5.771 7.137 8.351 463 HA LYS 52 HA LYS 52 6.990 8.091 10.813 464 1HB LYS 52 H LYS 52 7.937 8.461 8.520 465 2HB LYS 52 H LYS 52 6.561 9.530 8.161 466 1HG LYS 52 H LYS 52 7.189 10.992 10.059 467 2HG LYS 52 H LYS 52 8.560 9.927 10.436 468 1HD LYS 52 H LYS 52 8.232 11.166 7.678 469 2HD LYS 52 H LYS 52 9.006 12.068 8.999 470 1HE LYS 52 H LYS 52 9.893 9.292 8.098 471 2HE LYS 52 H LYS 52 10.618 10.803 7.514 472 1HZ LYS 52 H LYS 52 11.153 11.330 9.799 473 2HZ LYS 52 H LYS 52 10.545 9.883 10.302 474 3HZ LYS 52 H LYS 52 11.864 9.922 9.316 475 H LEU 53 H LEU 53 4.256 9.145 8.717 476 HA LEU 53 HA LEU 53 3.343 10.971 10.872 477 1HB LEU 53 HB1 LEU 53 3.598 11.845 8.556 478 2HB LEU 53 HB2 LEU 53 2.424 10.641 7.983 479 HG LEU 53 HG LEU 53 1.487 12.252 10.299 480 1HD1 LEU 53 HD12 LEU 53 1.979 13.543 7.578 481 2HD1 LEU 53 HD13 LEU 53 1.021 14.258 8.898 482 3HD1 LEU 53 HD11 LEU 53 2.768 13.988 9.111 483 1HD2 LEU 53 HD21 LEU 53 0.055 10.676 9.005 484 2HD2 LEU 53 HD22 LEU 53 -0.560 12.342 8.912 485 3HD2 LEU 53 HD23 LEU 53 0.328 11.643 7.537 No H/Q in entry = 485 Start of MODEL 6 1 1H ARG 1 H3 ARG 1 -18.801 3.961 -5.188 2 2H ARG 1 H2 ARG 1 -18.211 3.186 -6.519 3 3H ARG 1 H1 ARG 1 -19.113 2.357 -5.413 4 HA ARG 1 HA ARG 1 -17.458 2.596 -3.745 5 1HB ARG 1 H ARG 1 -16.283 1.610 -6.382 6 2HB ARG 1 H ARG 1 -15.687 1.212 -4.753 7 1HG ARG 1 H ARG 1 -17.975 0.243 -4.238 8 2HG ARG 1 H ARG 1 -18.401 0.486 -5.948 9 1HD ARG 1 H ARG 1 -17.651 -1.788 -5.754 10 2HD ARG 1 H ARG 1 -16.351 -0.886 -6.557 11 HE ARG 1 H ARG 1 -14.966 -1.247 -4.729 12 1HH1 ARG 1 H ARG 1 -18.324 -1.991 -3.854 13 2HH1 ARG 1 H ARG 1 -17.901 -2.750 -2.337 14 1HH2 ARG 1 H ARG 1 -14.421 -2.263 -2.732 15 2HH2 ARG 1 H ARG 1 -15.677 -2.891 -1.691 16 H LYS 2 H LYS 2 -15.021 3.074 -3.450 17 HA LYS 2 HA LYS 2 -14.604 5.871 -4.188 18 1HB LYS 2 H LYS 2 -14.121 4.736 -1.917 19 2HB LYS 2 H LYS 2 -12.680 4.049 -2.701 20 1HG LYS 2 H LYS 2 -12.203 6.530 -3.432 21 2HG LYS 2 H LYS 2 -13.349 6.955 -2.143 22 1HD LYS 2 H LYS 2 -10.859 5.219 -1.782 23 2HD LYS 2 H LYS 2 -10.978 6.941 -1.350 24 1HE LYS 2 H LYS 2 -12.902 6.362 0.177 25 2HE LYS 2 H LYS 2 -12.607 4.645 -0.174 26 1HZ LYS 2 H LYS 2 -10.387 4.923 0.696 27 2HZ LYS 2 H LYS 2 -10.696 6.506 1.056 28 3HZ LYS 2 H LYS 2 -11.526 5.308 1.829 29 H ARG 3 H ARG 3 -14.688 4.575 -6.549 30 HA ARG 3 HA ARG 3 -13.559 3.966 -8.448 31 1HB ARG 3 H ARG 3 -11.712 6.087 -7.279 32 2HB ARG 3 H ARG 3 -11.570 5.447 -8.934 33 1HG ARG 3 H ARG 3 -13.907 6.152 -9.405 34 2HG ARG 3 H ARG 3 -14.040 6.801 -7.753 35 1HD ARG 3 H ARG 3 -13.523 8.639 -9.242 36 2HD ARG 3 H ARG 3 -12.083 8.307 -8.252 37 HE ARG 3 H ARG 3 -11.906 6.798 -10.661 38 1HH1 ARG 3 H ARG 3 -11.846 10.156 -9.538 39 2HH1 ARG 3 H ARG 3 -10.785 10.707 -10.813 40 1HH2 ARG 3 H ARG 3 -10.514 7.533 -12.351 41 2HH2 ARG 3 H ARG 3 -10.035 9.212 -12.424 42 H GLN 4 H GLN 4 -10.343 4.614 -7.341 43 HA GLN 4 HA GLN 4 -9.816 1.904 -6.383 44 1HB GLN 4 HB1 GLN 4 -8.165 1.449 -8.226 45 2HB GLN 4 HB2 GLN 4 -9.854 1.473 -8.778 46 1HG GLN 4 HG2 GLN 4 -9.569 3.814 -9.556 47 2HG GLN 4 HG1 GLN 4 -7.881 3.794 -9.006 48 1HE2 GLN 4 HE21 GLN 4 -6.673 1.774 -11.692 49 2HE2 GLN 4 HE22 GLN 4 -6.360 2.359 -10.072 50 H ALA 5 H ALA 5 -9.594 4.660 -5.376 51 HA ALA 5 HA ALA 5 -6.806 5.448 -5.541 52 1HB ALA 5 HB1 ALA 5 -9.113 6.295 -3.740 53 2HB ALA 5 HB3 ALA 5 -7.500 7.050 -3.725 54 3HB ALA 5 HB2 ALA 5 -8.509 7.133 -5.188 55 H TRP 6 H TRP 6 -8.590 4.869 -2.479 56 HA TRP 6 HA TRP 6 -6.732 2.730 -1.709 57 1HB TRP 6 HB2 TRP 6 -6.766 5.481 -0.453 58 2HB TRP 6 HB1 TRP 6 -6.264 4.049 0.457 59 HD1 TRP 6 HD1 TRP 6 -4.996 6.592 -1.894 60 HE1 TRP 6 HE1 TRP 6 -2.572 6.100 -2.625 61 HE3 TRP 6 HE3 TRP 6 -4.592 1.808 -0.133 62 HZ2 TRP 6 HZ2 TRP 6 -0.731 3.915 -2.473 63 HZ3 TRP 6 HZ3 TRP 6 -2.483 0.545 -0.455 64 HH2 TRP 6 HH2 TRP 6 -0.556 1.590 -1.617 65 H LEU 7 H LEU 7 -8.510 1.385 -1.534 66 HA LEU 7 HA LEU 7 -10.721 2.121 0.273 67 1HB LEU 7 HB1 LEU 7 -10.043 -0.225 -1.528 68 2HB LEU 7 HB2 LEU 7 -11.282 -0.394 -0.268 69 HG LEU 7 HG LEU 7 -12.328 1.771 -1.248 70 1HD1 LEU 7 HD13 LEU 7 -10.453 0.943 -3.510 71 2HD1 LEU 7 HD12 LEU 7 -11.843 2.031 -3.719 72 3HD1 LEU 7 HD11 LEU 7 -10.493 2.510 -2.669 73 1HD2 LEU 7 HD23 LEU 7 -12.263 -0.796 -2.896 74 2HD2 LEU 7 HD22 LEU 7 -13.307 -0.486 -1.488 75 3HD2 LEU 7 HD21 LEU 7 -13.523 0.458 -2.981 76 H TRP 8 H TRP 8 -11.285 0.349 1.987 77 HA TRP 8 HA TRP 8 -9.211 0.250 3.905 78 1HB TRP 8 HB1 TRP 8 -11.625 0.086 4.400 79 2HB TRP 8 HB2 TRP 8 -11.677 -1.504 3.622 80 HD1 TRP 8 HD1 TRP 8 -10.280 0.254 6.715 81 HE1 TRP 8 HE1 TRP 8 -9.813 -1.461 8.579 82 HE3 TRP 8 HE3 TRP 8 -11.213 -4.049 4.100 83 HZ2 TRP 8 HZ2 TRP 8 -9.840 -4.300 8.882 84 HZ3 TRP 8 HZ3 TRP 8 -10.980 -6.249 5.223 85 HH2 TRP 8 HH2 TRP 8 -10.298 -6.382 7.607 86 H GLU 9 H GLU 9 -10.319 -2.143 1.484 87 HA GLU 9 HA GLU 9 -8.705 -4.323 2.313 88 1HB GLU 9 H GLU 9 -10.467 -3.629 0.131 89 2HB GLU 9 H GLU 9 -8.977 -4.312 -0.552 90 1HG GLU 9 H GLU 9 -10.515 -5.616 1.732 91 2HG GLU 9 H GLU 9 -10.813 -5.991 0.022 92 H GLU 10 H GLU 10 -8.141 -1.829 -0.224 93 HA GLU 10 HA GLU 10 -5.587 -2.671 -1.029 94 1HB GLU 10 H GLU 10 -6.763 0.141 -0.927 95 2HB GLU 10 H GLU 10 -5.362 -0.360 -1.900 96 1HG GLU 10 H GLU 10 -6.800 -2.021 -3.084 97 2HG GLU 10 H GLU 10 -8.198 -1.472 -2.142 98 H ASP 11 H ASP 11 -6.527 -0.355 1.578 99 HA ASP 11 HA ASP 11 -3.852 0.374 2.274 100 1HB ASP 11 H ASP 11 -5.963 1.606 2.874 101 2HB ASP 11 H ASP 11 -6.320 0.325 4.053 102 H LYS 12 H LYS 12 -6.127 -2.071 3.643 103 HA LYS 12 HA LYS 12 -4.488 -3.034 5.712 104 1HB LYS 12 H LYS 12 -6.800 -3.684 5.564 105 2HB LYS 12 H LYS 12 -6.549 -4.397 3.954 106 1HG LYS 12 H LYS 12 -4.998 -6.083 4.953 107 2HG LYS 12 H LYS 12 -5.282 -5.374 6.559 108 1HD LYS 12 H LYS 12 -6.675 -7.382 6.159 109 2HD LYS 12 H LYS 12 -7.669 -5.926 6.394 110 1HE LYS 12 H LYS 12 -8.227 -5.783 4.108 111 2HE LYS 12 H LYS 12 -6.834 -6.761 3.605 112 1HZ LYS 12 H LYS 12 -7.907 -8.657 4.592 113 2HZ LYS 12 H LYS 12 -9.212 -7.742 5.016 114 3HZ LYS 12 H LYS 12 -8.851 -7.974 3.418 115 H ASN 13 H ASN 13 -4.720 -4.084 2.278 116 HA ASN 13 HA ASN 13 -2.921 -6.243 2.412 117 1HB ASN 13 HB2 ASN 13 -3.485 -4.292 0.138 118 2HB ASN 13 HB1 ASN 13 -2.657 -5.850 -0.043 119 1HD2 ASN 13 HD21 ASN 13 -6.446 -6.043 -0.717 120 2HD2 ASN 13 HD22 ASN 13 -5.095 -5.145 -1.403 121 H LEU 14 H LEU 14 -2.320 -2.737 2.260 122 HA LEU 14 HA LEU 14 0.458 -2.977 1.556 123 1HB LEU 14 HB2 LEU 14 -1.055 -0.945 1.244 124 2HB LEU 14 HB1 LEU 14 -0.882 -0.662 2.990 125 HG LEU 14 HG LEU 14 1.630 -0.643 2.674 126 1HD1 LEU 14 HD13 LEU 14 0.755 -0.881 -0.228 127 2HD1 LEU 14 HD12 LEU 14 2.311 -0.145 0.221 128 3HD1 LEU 14 HD11 LEU 14 1.978 -1.839 0.640 129 1HD2 LEU 14 HD21 LEU 14 0.030 1.363 1.030 130 2HD2 LEU 14 HD23 LEU 14 0.314 1.446 2.784 131 3HD2 LEU 14 HD22 LEU 14 1.677 1.613 1.655 132 H ARG 15 H ARG 15 -1.240 -2.372 4.717 133 HA ARG 15 HA ARG 15 1.253 -2.269 6.146 134 1HB ARG 15 H ARG 15 -0.174 -2.516 8.188 135 2HB ARG 15 H ARG 15 -0.684 -1.209 7.102 136 1HG ARG 15 H ARG 15 -2.431 -2.694 6.151 137 2HG ARG 15 H ARG 15 -1.935 -3.985 7.264 138 1HD ARG 15 H ARG 15 -3.749 -2.977 8.375 139 2HD ARG 15 H ARG 15 -2.329 -2.227 9.137 140 HE ARG 15 H ARG 15 -3.311 -0.717 6.843 141 1HH1 ARG 15 H ARG 15 -3.764 -1.349 10.303 142 2HH1 ARG 15 H ARG 15 -4.488 0.207 10.629 143 1HH2 ARG 15 H ARG 15 -4.373 1.282 7.258 144 2HH2 ARG 15 H ARG 15 -4.786 1.731 8.904 145 H SER 16 H SER 16 -1.057 -4.924 5.452 146 HA SER 16 HA SER 16 0.285 -6.845 7.121 147 1HB SER 16 HB2 SER 16 -1.570 -7.180 4.727 148 2HB SER 16 HB1 SER 16 -1.101 -8.477 5.853 149 HG SER 16 HG SER 16 -3.091 -7.486 6.423 150 H GLY 17 H GLY 17 0.357 -6.177 3.570 151 1HA GLY 17 HA1 GLY 17 2.163 -8.249 2.886 152 2HA GLY 17 HA2 GLY 17 1.879 -6.762 1.958 153 H VAL 18 H VAL 18 2.798 -4.742 3.542 154 HA VAL 18 HA VAL 18 5.598 -4.881 3.144 155 HB VAL 18 HB VAL 18 3.849 -3.013 4.788 156 1HG1 VAL 18 HG11 VAL 18 6.835 -3.039 4.285 157 2HG1 VAL 18 HG12 VAL 18 5.964 -1.516 4.537 158 3HG1 VAL 18 HG13 VAL 18 5.967 -2.755 5.810 159 1HG2 VAL 18 HG22 VAL 18 3.624 -3.086 2.258 160 2HG2 VAL 18 HG23 VAL 18 4.162 -1.516 2.898 161 3HG2 VAL 18 HG21 VAL 18 5.339 -2.626 2.156 162 H ARG 19 H ARG 19 3.623 -5.454 6.105 163 HA ARG 19 HA ARG 19 5.820 -5.543 7.909 164 1HB ARG 19 H ARG 19 3.017 -6.676 7.909 165 2HB ARG 19 H ARG 19 4.149 -7.075 9.221 166 1HG ARG 19 H ARG 19 3.795 -4.189 8.386 167 2HG ARG 19 H ARG 19 2.583 -4.955 9.439 168 1HD ARG 19 H ARG 19 4.213 -5.430 11.134 169 2HD ARG 19 H ARG 19 5.562 -5.074 10.040 170 HE ARG 19 H ARG 19 5.353 -2.827 10.517 171 1HH1 ARG 19 H ARG 19 2.409 -4.523 11.529 172 2HH1 ARG 19 H ARG 19 1.725 -3.131 12.333 173 1HH2 ARG 19 H ARG 19 4.439 -0.996 11.576 174 2HH2 ARG 19 H ARG 19 2.876 -1.117 12.350 175 H LYS 20 H LYS 20 4.895 -7.766 5.387 176 HA LYS 20 HA LYS 20 6.466 -9.956 6.665 177 1HB LYS 20 H LYS 20 4.182 -9.811 4.759 178 2HB LYS 20 H LYS 20 5.420 -11.029 4.374 179 1HG LYS 20 H LYS 20 3.754 -12.063 5.807 180 2HG LYS 20 H LYS 20 5.257 -11.875 6.738 181 1HD LYS 20 H LYS 20 4.363 -9.848 7.821 182 2HD LYS 20 H LYS 20 2.896 -9.937 6.821 183 1HE LYS 20 H LYS 20 2.382 -10.872 8.997 184 2HE LYS 20 H LYS 20 2.427 -12.204 7.822 185 1HZ LYS 20 H LYS 20 4.629 -11.449 9.619 186 2HZ LYS 20 H LYS 20 3.595 -12.712 9.855 187 3HZ LYS 20 H LYS 20 4.624 -12.719 8.567 188 H TYR 21 H TYR 21 6.021 -8.461 3.388 189 HA TYR 21 HA TYR 21 8.521 -9.579 2.441 190 1HB TYR 21 HB2 TYR 21 6.569 -7.544 1.322 191 2HB TYR 21 HB1 TYR 21 8.009 -8.097 0.450 192 HD1 TYR 21 HD1 TYR 21 8.271 -10.671 0.116 193 HD2 TYR 21 HD2 TYR 21 4.549 -8.746 1.120 194 HE1 TYR 21 HE1 TYR 21 7.019 -12.648 -0.718 195 HE2 TYR 21 HE2 TYR 21 3.307 -10.723 0.284 196 HH TYR 21 HH TYR 21 3.445 -12.817 -0.628 197 H GLY 22 H GLY 22 7.510 -6.420 3.768 198 1HA GLY 22 HA1 GLY 22 8.996 -4.863 4.743 199 2HA GLY 22 HA2 GLY 22 10.360 -5.624 3.897 200 H GLU 23 H GLU 23 9.090 -2.754 4.051 201 HA GLU 23 HA GLU 23 8.074 -2.077 1.507 202 1HB GLU 23 H GLU 23 8.715 0.240 2.105 203 2HB GLU 23 H GLU 23 7.909 -0.594 3.449 204 1HG GLU 23 H GLU 23 10.164 -1.113 4.427 205 2HG GLU 23 H GLU 23 10.911 -0.165 3.125 206 H GLY 24 H GLY 24 9.044 -1.157 -0.344 207 1HA GLY 24 HA1 GLY 24 11.008 -0.476 -1.591 208 2HA GLY 24 HA2 GLY 24 11.988 -1.593 -0.614 209 H ASN 25 H ASN 25 10.205 -3.840 -0.629 210 HA ASN 25 HA ASN 25 10.786 -4.909 -3.291 211 1HB ASN 25 HB2 ASN 25 9.335 -6.152 -0.915 212 2HB ASN 25 HB1 ASN 25 9.969 -7.012 -2.334 213 1HD2 ASN 25 HD21 ASN 25 12.415 -6.011 0.793 214 2HD2 ASN 25 HD22 ASN 25 10.708 -5.616 0.774 215 H TRP 26 H TRP 26 9.086 -2.786 -3.645 216 HA TRP 26 HA TRP 26 6.315 -3.373 -3.483 217 1HB TRP 26 HB2 TRP 26 7.824 -1.540 -5.373 218 2HB TRP 26 HB1 TRP 26 6.088 -1.479 -5.039 219 HD1 TRP 26 HD1 TRP 26 8.924 0.421 -4.235 220 HE1 TRP 26 HE1 TRP 26 8.831 1.613 -1.961 221 HE3 TRP 26 HE3 TRP 26 5.110 -2.238 -2.082 222 HZ2 TRP 26 HZ2 TRP 26 7.333 1.414 0.460 223 HZ3 TRP 26 HZ3 TRP 26 4.382 -1.696 0.218 224 HH2 TRP 26 HH2 TRP 26 5.485 0.124 1.497 225 H SER 27 H SER 27 8.768 -4.023 -5.989 226 HA SER 27 HA SER 27 7.043 -4.770 -8.093 227 1HB SER 27 HB2 SER 27 9.041 -6.142 -8.834 228 2HB SER 27 HB1 SER 27 9.403 -4.438 -8.470 229 HG SER 27 HG SER 27 10.908 -5.851 -7.494 230 H LYS 28 H LYS 28 8.119 -6.540 -5.193 231 HA LYS 28 HA LYS 28 6.981 -9.073 -6.136 232 1HB LYS 28 H LYS 28 8.054 -8.288 -3.392 233 2HB LYS 28 H LYS 28 7.771 -9.934 -3.986 234 1HG LYS 28 H LYS 28 9.797 -7.932 -5.102 235 2HG LYS 28 H LYS 28 10.169 -9.361 -4.117 236 1HD LYS 28 H LYS 28 8.961 -9.347 -6.923 237 2HD LYS 28 H LYS 28 10.591 -9.880 -6.461 238 1HE LYS 28 H LYS 28 9.432 -11.580 -4.908 239 2HE LYS 28 H LYS 28 7.932 -11.184 -5.774 240 1HZ LYS 28 H LYS 28 9.012 -11.827 -7.805 241 2HZ LYS 28 H LYS 28 10.396 -12.211 -6.993 242 3HZ LYS 28 H LYS 28 9.014 -13.071 -6.722 243 H ILE 29 H ILE 29 6.324 -6.667 -3.537 244 HA ILE 29 HA ILE 29 4.079 -7.892 -2.400 245 HB ILE 29 HB ILE 29 4.886 -4.976 -2.714 246 1HG1 ILE 29 HG12 ILE 29 4.837 -6.684 -0.201 247 2HG1 ILE 29 HG11 ILE 29 6.213 -6.755 -1.323 248 1HG2 ILE 29 HG23 ILE 29 2.592 -6.207 -1.127 249 2HG2 ILE 29 HG22 ILE 29 3.233 -4.575 -0.831 250 3HG2 ILE 29 HG21 ILE 29 2.483 -4.960 -2.393 251 1HD1 ILE 29 HD13 ILE 29 6.468 -4.271 -1.118 252 2HD1 ILE 29 HD11 ILE 29 5.165 -4.266 0.092 253 3HD1 ILE 29 HD12 ILE 29 6.687 -5.119 0.429 254 H LEU 30 H LEU 30 4.216 -5.603 -5.191 255 HA LEU 30 HA LEU 30 1.444 -5.270 -5.564 256 1HB LEU 30 HB2 LEU 30 3.848 -5.195 -7.403 257 2HB LEU 30 HB1 LEU 30 2.210 -4.956 -8.048 258 HG LEU 30 HG LEU 30 3.291 -3.351 -5.693 259 1HD1 LEU 30 HD11 LEU 30 4.731 -3.006 -7.694 260 2HD1 LEU 30 HD13 LEU 30 3.284 -2.626 -8.659 261 3HD1 LEU 30 HD12 LEU 30 3.770 -1.557 -7.322 262 1HD2 LEU 30 HD23 LEU 30 0.898 -3.180 -7.560 263 2HD2 LEU 30 HD21 LEU 30 0.921 -3.180 -5.781 264 3HD2 LEU 30 HD22 LEU 30 1.482 -1.753 -6.677 265 H LEU 31 H LEU 31 3.615 -7.889 -6.679 266 HA LEU 31 HA LEU 31 1.553 -9.090 -8.351 267 1HB LEU 31 HB2 LEU 31 4.412 -9.626 -7.610 268 2HB LEU 31 HB1 LEU 31 3.448 -11.008 -8.165 269 HG LEU 31 HG LEU 31 4.727 -9.767 -9.983 270 1HD1 LEU 31 HD11 LEU 31 2.711 -11.222 -10.393 271 2HD1 LEU 31 HD13 LEU 31 1.699 -9.761 -10.337 272 3HD1 LEU 31 HD12 LEU 31 2.934 -9.937 -11.603 273 1HD2 LEU 31 HD21 LEU 31 4.237 -7.468 -9.026 274 2HD2 LEU 31 HD22 LEU 31 3.931 -7.634 -10.770 275 3HD2 LEU 31 HD23 LEU 31 2.572 -7.644 -9.626 276 H HIS 32 H HIS 32 3.073 -9.827 -5.171 277 HA HIS 32 HA HIS 32 1.656 -12.303 -4.838 278 1HB HIS 32 HB2 HIS 32 3.057 -10.455 -2.873 279 2HB HIS 32 HB1 HIS 32 2.437 -12.066 -2.465 280 HD1 HIS 32 HD1 HIS 32 3.359 -13.839 -4.714 281 HD2 HIS 32 HD2 HIS 32 5.759 -10.780 -3.172 282 HE1 HIS 32 HE1 HIS 32 5.775 -14.394 -5.284 283 H TYR 33 H TYR 33 1.208 -9.087 -3.216 284 HA TYR 33 HA TYR 33 -1.372 -10.035 -2.155 285 1HB TYR 33 HB1 TYR 33 0.522 -7.789 -1.655 286 2HB TYR 33 HB2 TYR 33 -1.191 -7.470 -1.334 287 HD1 TYR 33 HD2 TYR 33 1.174 -10.365 -0.770 288 HD2 TYR 33 HD1 TYR 33 -1.773 -7.706 0.899 289 HE1 TYR 33 HE2 TYR 33 1.371 -11.518 1.422 290 HE2 TYR 33 HE1 TYR 33 -1.572 -8.856 3.087 291 HH TYR 33 HH TYR 33 0.633 -11.630 3.586 292 H LYS 34 H LYS 34 -3.267 -8.524 -2.265 293 HA LYS 34 HA LYS 34 -3.886 -8.047 -5.059 294 1HB LYS 34 H LYS 34 -5.457 -9.030 -3.364 295 2HB LYS 34 H LYS 34 -5.498 -7.453 -2.545 296 1HG LYS 34 H LYS 34 -6.161 -6.522 -4.912 297 2HG LYS 34 H LYS 34 -6.573 -8.212 -5.275 298 1HD LYS 34 H LYS 34 -7.670 -6.567 -2.939 299 2HD LYS 34 H LYS 34 -8.540 -6.941 -4.443 300 1HE LYS 34 H LYS 34 -9.352 -8.644 -3.106 301 2HE LYS 34 H LYS 34 -7.920 -9.457 -3.773 302 1HZ LYS 34 H LYS 34 -7.990 -8.029 -1.198 303 2HZ LYS 34 H LYS 34 -8.144 -9.664 -1.372 304 3HZ LYS 34 H LYS 34 -6.739 -8.922 -1.798 305 H PHE 35 H PHE 35 -3.331 -6.229 -6.114 306 HA PHE 35 HA PHE 35 -3.873 -3.621 -4.857 307 1HB PHE 35 HB2 PHE 35 -1.148 -4.491 -5.877 308 2HB PHE 35 HB1 PHE 35 -1.618 -2.793 -5.718 309 HD1 PHE 35 HD1 PHE 35 -2.326 -1.930 -3.412 310 HD2 PHE 35 HD2 PHE 35 -0.323 -5.693 -4.013 311 HE1 PHE 35 HE1 PHE 35 -1.648 -1.948 -1.027 312 HE2 PHE 35 HE2 PHE 35 0.355 -5.694 -1.629 313 HZ PHE 35 HZ PHE 35 -0.306 -3.837 -0.149 314 H ASN 36 H ASN 36 -3.642 -1.852 -6.515 315 HA ASN 36 HA ASN 36 -4.495 -2.855 -9.188 316 1HB ASN 36 HB2 ASN 36 -5.898 -1.260 -7.574 317 2HB ASN 36 HB1 ASN 36 -4.842 -0.006 -8.255 318 1HD2 ASN 36 HD21 ASN 36 -7.899 -1.634 -10.446 319 2HD2 ASN 36 HD22 ASN 36 -7.549 -2.134 -8.805 320 H ASN 37 H ASN 37 -3.974 -0.065 -10.271 321 HA ASN 37 HA ASN 37 -1.182 -0.495 -10.996 322 1HB ASN 37 HB2 ASN 37 -3.155 1.734 -11.657 323 2HB ASN 37 HB1 ASN 37 -1.550 1.535 -12.395 324 1HD2 ASN 37 HD21 ASN 37 -2.479 -1.454 -14.251 325 2HD2 ASN 37 HD22 ASN 37 -1.157 -0.779 -13.327 326 H ARG 38 H ARG 38 -0.737 -0.336 -8.494 327 HA ARG 38 HA ARG 38 -0.556 2.434 -7.515 328 1HB ARG 38 H ARG 38 -0.875 -0.112 -6.333 329 2HB ARG 38 H ARG 38 0.775 0.384 -5.906 330 1HG ARG 38 H ARG 38 -0.486 1.332 -4.175 331 2HG ARG 38 H ARG 38 -0.332 2.692 -5.309 332 1HD ARG 38 H ARG 38 -2.649 2.558 -4.603 333 2HD ARG 38 H ARG 38 -2.564 2.019 -6.296 334 HE ARG 38 H ARG 38 -2.271 -0.252 -4.623 335 1HH1 ARG 38 H ARG 38 -4.721 2.214 -5.318 336 2HH1 ARG 38 H ARG 38 -6.069 1.100 -5.168 337 1HH2 ARG 38 H ARG 38 -4.066 -1.682 -4.366 338 2HH2 ARG 38 H ARG 38 -5.693 -1.111 -4.681 339 H THR 39 H THR 39 1.172 3.685 -7.949 340 HA THR 39 HA THR 39 3.556 2.570 -9.168 341 HB THR 39 HB THR 39 3.187 5.382 -8.078 342 HG1 THR 39 HG1 THR 39 2.204 4.226 -10.474 343 1HG2 THR 39 HG23 THR 39 4.735 4.157 -10.401 344 2HG2 THR 39 HG21 THR 39 4.557 5.907 -10.136 345 3HG2 THR 39 HG22 THR 39 5.413 4.911 -8.939 346 H SER 40 H SER 40 5.747 2.874 -8.293 347 HA SER 40 HA SER 40 6.112 1.795 -5.731 348 1HB SER 40 HB1 SER 40 7.826 1.784 -7.497 349 2HB SER 40 HB2 SER 40 7.982 3.554 -7.378 350 HG SER 40 HG SER 40 9.569 2.457 -6.148 351 H VAL 41 H VAL 41 6.228 5.243 -6.789 352 HA VAL 41 HA VAL 41 6.930 6.306 -4.254 353 HB VAL 41 HB VAL 41 7.122 7.487 -6.450 354 1HG1 VAL 41 HG11 VAL 41 4.836 6.786 -7.293 355 2HG1 VAL 41 HG13 VAL 41 4.124 7.964 -6.167 356 3HG1 VAL 41 HG12 VAL 41 5.188 8.517 -7.478 357 1HG2 VAL 41 HG21 VAL 41 7.180 8.697 -4.266 358 2HG2 VAL 41 HG22 VAL 41 6.513 9.694 -5.580 359 3HG2 VAL 41 HG23 VAL 41 5.423 8.954 -4.385 360 H MET 42 H MET 42 3.741 5.486 -5.693 361 HA MET 42 HA MET 42 2.161 6.797 -3.698 362 1HB MET 42 HB1 MET 42 1.597 4.424 -5.526 363 2HB MET 42 HB2 MET 42 0.375 5.183 -4.484 364 1HG MET 42 HG2 MET 42 0.730 7.341 -5.600 365 2HG MET 42 HG1 MET 42 2.000 6.632 -6.608 366 1HE MET 42 HE3 MET 42 -0.241 8.296 -7.903 367 2HE MET 42 HE1 MET 42 0.999 7.423 -8.835 368 3HE MET 42 HE2 MET 42 -0.718 7.269 -9.275 369 H LEU 43 H LEU 43 3.363 3.415 -4.033 370 HA LEU 43 HA LEU 43 2.175 2.427 -1.639 371 1HB LEU 43 HB2 LEU 43 4.677 1.596 -3.169 372 2HB LEU 43 HB1 LEU 43 3.962 0.659 -1.842 373 HG LEU 43 HG LEU 43 2.224 1.489 -4.173 374 1HD1 LEU 43 HD11 LEU 43 4.073 -0.933 -4.087 375 2HD1 LEU 43 HD13 LEU 43 2.839 -0.611 -5.324 376 3HD1 LEU 43 HD12 LEU 43 4.244 0.464 -5.175 377 1HD2 LEU 43 HD21 LEU 43 1.253 0.435 -2.123 378 2HD2 LEU 43 HD23 LEU 43 1.041 -0.580 -3.566 379 3HD2 LEU 43 HD22 LEU 43 2.302 -0.977 -2.376 380 H LYS 44 H LYS 44 5.442 3.771 -2.318 381 HA LYS 44 HA LYS 44 6.500 3.432 0.277 382 1HB LYS 44 H LYS 44 7.728 3.956 -1.881 383 2HB LYS 44 H LYS 44 7.163 5.632 -1.720 384 1HG LYS 44 H LYS 44 9.402 5.485 -0.804 385 2HG LYS 44 H LYS 44 8.273 5.724 0.548 386 1HD LYS 44 H LYS 44 8.457 3.459 1.248 387 2HD LYS 44 H LYS 44 9.123 2.939 -0.319 388 1HE LYS 44 H LYS 44 11.180 4.257 0.123 389 2HE LYS 44 H LYS 44 10.517 4.758 1.694 390 1HZ LYS 44 H LYS 44 11.046 1.980 0.896 391 2HZ LYS 44 H LYS 44 12.021 2.894 1.861 392 3HZ LYS 44 H LYS 44 10.506 2.485 2.374 393 H ASP 45 H ASP 45 4.804 6.258 -1.201 394 HA ASP 45 HA ASP 45 5.054 7.938 1.098 395 1HB ASP 45 H ASP 45 4.568 8.831 -1.118 396 2HB ASP 45 H ASP 45 3.044 7.920 -1.186 397 H ARG 46 H ARG 46 2.388 5.796 -0.058 398 HA ARG 46 HA ARG 46 0.544 6.401 1.978 399 1HB ARG 46 H ARG 46 0.029 5.125 -0.093 400 2HB ARG 46 H ARG 46 0.987 3.760 0.521 401 1HG ARG 46 H ARG 46 -1.287 3.236 1.044 402 2HG ARG 46 H ARG 46 -0.570 3.776 2.572 403 1HD ARG 46 H ARG 46 -1.517 6.037 2.218 404 2HD ARG 46 H ARG 46 -2.212 5.500 0.673 405 HE ARG 46 H ARG 46 -3.047 3.807 2.873 406 1HH1 ARG 46 H ARG 46 -3.617 6.918 1.267 407 2HH1 ARG 46 H ARG 46 -5.273 7.046 1.810 408 1HH2 ARG 46 H ARG 46 -5.201 4.003 3.625 409 2HH2 ARG 46 H ARG 46 -6.191 5.364 3.127 410 H TRP 47 H TRP 47 3.129 3.888 1.861 411 HA TRP 47 HA TRP 47 2.518 2.819 4.447 412 1HB TRP 47 HB2 TRP 47 3.763 1.554 2.797 413 2HB TRP 47 HB1 TRP 47 5.032 2.786 2.751 414 HD1 TRP 47 HD1 TRP 47 7.079 1.904 3.867 415 HE1 TRP 47 HE1 TRP 47 7.701 0.533 5.957 416 HE3 TRP 47 HE3 TRP 47 2.361 0.894 5.585 417 HZ2 TRP 47 HZ2 TRP 47 6.326 -0.804 8.077 418 HZ3 TRP 47 HZ3 TRP 47 2.063 -0.433 7.658 419 HH2 TRP 47 HH2 TRP 47 4.032 -1.285 8.902 420 H ARG 48 H ARG 48 4.707 5.409 3.286 421 HA ARG 48 HA ARG 48 6.154 5.827 5.671 422 1HB ARG 48 H ARG 48 6.893 6.840 3.636 423 2HB ARG 48 H ARG 48 5.341 7.664 3.395 424 1HG ARG 48 H ARG 48 5.728 9.111 5.303 425 2HG ARG 48 H ARG 48 7.190 8.200 5.754 426 1HD ARG 48 H ARG 48 8.463 9.164 4.101 427 2HD ARG 48 H ARG 48 7.108 9.259 2.958 428 HE ARG 48 H ARG 48 7.938 11.283 4.905 429 1HH1 ARG 48 H ARG 48 5.265 10.035 2.935 430 2HH1 ARG 48 H ARG 48 4.471 11.583 2.785 431 1HH2 ARG 48 H ARG 48 6.838 13.309 4.770 432 2HH2 ARG 48 H ARG 48 5.342 13.440 3.878 433 H THR 49 H THR 49 3.100 7.447 4.539 434 HA THR 49 HA THR 49 2.877 9.007 6.941 435 HB THR 49 HB THR 49 1.845 9.637 4.768 436 HG1 THR 49 HG1 THR 49 1.041 10.451 6.747 437 1HG2 THR 49 HG21 THR 49 -0.056 7.335 5.399 438 2HG2 THR 49 HG23 THR 49 -0.322 8.566 4.145 439 3HG2 THR 49 HG22 THR 49 1.051 7.453 4.014 440 H MET 50 H MET 50 2.080 5.670 6.202 441 HA MET 50 HA MET 50 0.109 5.425 8.352 442 1HB MET 50 HB1 MET 50 1.476 3.517 6.442 443 2HB MET 50 HB2 MET 50 0.515 2.916 7.811 444 1HG MET 50 HG2 MET 50 -1.458 4.030 7.035 445 2HG MET 50 HG1 MET 50 -0.546 4.964 5.842 446 1HE MET 50 HE3 MET 50 -1.908 1.504 6.917 447 2HE MET 50 HE2 MET 50 -1.478 0.441 5.557 448 3HE MET 50 HE1 MET 50 -0.207 1.067 6.632 449 H LYS 51 H LYS 51 3.611 4.819 7.888 450 HA LYS 51 HA LYS 51 4.055 3.248 10.199 451 1HB LYS 51 H LYS 51 5.741 5.082 8.501 452 2HB LYS 51 H LYS 51 6.401 4.467 10.031 453 1HG LYS 51 H LYS 51 5.727 2.131 9.265 454 2HG LYS 51 H LYS 51 5.380 2.835 7.670 455 1HD LYS 51 H LYS 51 8.065 3.148 9.085 456 2HD LYS 51 H LYS 51 7.713 1.820 7.958 457 1HE LYS 51 H LYS 51 7.051 3.601 6.249 458 2HE LYS 51 H LYS 51 7.733 4.806 7.362 459 1HZ LYS 51 H LYS 51 9.211 2.508 6.269 460 2HZ LYS 51 H LYS 51 9.287 4.047 5.675 461 3HZ LYS 51 H LYS 51 9.825 3.727 7.201 462 H LYS 52 H LYS 52 3.773 6.804 9.820 463 HA LYS 52 HA LYS 52 4.564 7.276 12.599 464 1HB LYS 52 H LYS 52 4.103 9.624 12.067 465 2HB LYS 52 H LYS 52 5.096 8.887 10.794 466 1HG LYS 52 H LYS 52 3.437 9.028 9.217 467 2HG LYS 52 H LYS 52 2.141 8.703 10.381 468 1HD LYS 52 H LYS 52 3.675 11.329 10.363 469 2HD LYS 52 H LYS 52 2.227 11.074 9.364 470 1HE LYS 52 H LYS 52 2.322 10.726 12.398 471 2HE LYS 52 H LYS 52 1.726 12.172 11.564 472 1HZ LYS 52 H LYS 52 0.069 10.787 10.513 473 2HZ LYS 52 H LYS 52 0.600 9.459 11.337 474 3HZ LYS 52 H LYS 52 -0.059 10.730 12.155 475 H LEU 53 H LEU 53 1.929 5.734 11.559 476 HA LEU 53 HA LEU 53 -0.234 5.492 12.245 477 1HB LEU 53 HB1 LEU 53 0.830 6.884 14.744 478 2HB LEU 53 HB2 LEU 53 -0.709 6.006 14.629 479 HG LEU 53 HG LEU 53 1.157 4.186 13.593 480 1HD1 LEU 53 HD12 LEU 53 3.004 5.627 14.428 481 2HD1 LEU 53 HD13 LEU 53 2.306 5.567 16.063 482 3HD1 LEU 53 HD11 LEU 53 2.937 4.084 15.307 483 1HD2 LEU 53 HD23 LEU 53 0.085 4.463 16.437 484 2HD2 LEU 53 HD21 LEU 53 -0.750 3.675 15.077 485 3HD2 LEU 53 HD22 LEU 53 0.753 2.975 15.725 No H/Q in entry = 485 Start of MODEL 7 1 1H ARG 1 H2 ARG 1 -23.061 8.488 -1.504 2 2H ARG 1 H3 ARG 1 -23.661 7.006 -1.098 3 3H ARG 1 H1 ARG 1 -22.588 7.763 -0.101 4 HA ARG 1 HA ARG 1 -21.485 6.031 -1.256 5 1HB ARG 1 H ARG 1 -21.227 6.422 -3.808 6 2HB ARG 1 H ARG 1 -22.740 5.703 -3.215 7 1HG ARG 1 H ARG 1 -23.928 7.787 -3.427 8 2HG ARG 1 H ARG 1 -22.425 8.700 -3.688 9 1HD ARG 1 H ARG 1 -22.043 7.452 -5.800 10 2HD ARG 1 H ARG 1 -23.562 6.568 -5.552 11 HE ARG 1 H ARG 1 -23.231 9.330 -6.474 12 1HH1 ARG 1 H ARG 1 -25.435 6.982 -4.982 13 2HH1 ARG 1 H ARG 1 -26.882 7.812 -5.501 14 1HH2 ARG 1 H ARG 1 -25.148 10.409 -7.159 15 2HH2 ARG 1 H ARG 1 -26.719 9.769 -6.735 16 H LYS 2 H LYS 2 -20.008 7.215 0.121 17 HA LYS 2 HA LYS 2 -18.749 9.636 -0.894 18 1HB LYS 2 H LYS 2 -19.112 9.123 1.537 19 2HB LYS 2 H LYS 2 -17.915 7.815 1.404 20 1HG LYS 2 H LYS 2 -16.202 9.451 0.672 21 2HG LYS 2 H LYS 2 -17.394 10.763 0.786 22 1HD LYS 2 H LYS 2 -16.808 8.974 3.171 23 2HD LYS 2 H LYS 2 -15.762 10.362 2.802 24 1HE LYS 2 H LYS 2 -18.787 10.585 3.115 25 2HE LYS 2 H LYS 2 -17.646 10.823 4.453 26 1HZ LYS 2 H LYS 2 -16.624 12.574 3.168 27 2HZ LYS 2 H LYS 2 -17.732 12.377 1.963 28 3HZ LYS 2 H LYS 2 -18.217 12.888 3.453 29 H ARG 3 H ARG 3 -17.461 6.345 -0.089 30 HA ARG 3 HA ARG 3 -15.680 5.176 -0.912 31 1HB ARG 3 H ARG 3 -17.014 6.349 -3.337 32 2HB ARG 3 H ARG 3 -15.449 5.545 -3.561 33 1HG ARG 3 H ARG 3 -17.476 4.114 -1.871 34 2HG ARG 3 H ARG 3 -17.801 4.209 -3.616 35 1HD ARG 3 H ARG 3 -16.564 2.187 -3.272 36 2HD ARG 3 H ARG 3 -15.441 3.337 -4.012 37 HE ARG 3 H ARG 3 -15.446 2.391 -1.186 38 1HH1 ARG 3 H ARG 3 -13.835 4.223 -3.788 39 2HH1 ARG 3 H ARG 3 -12.446 4.619 -2.802 40 1HH2 ARG 3 H ARG 3 -13.462 2.665 -0.053 41 2HH2 ARG 3 H ARG 3 -12.120 3.507 -0.805 42 H GLN 4 H GLN 4 -14.224 6.493 0.385 43 HA GLN 4 HA GLN 4 -12.862 8.770 -0.735 44 1HB GLN 4 HB2 GLN 4 -11.997 6.882 1.503 45 2HB GLN 4 HB1 GLN 4 -11.362 8.513 1.190 46 1HG GLN 4 HG2 GLN 4 -12.928 9.057 2.788 47 2HG GLN 4 HG1 GLN 4 -13.969 9.147 1.353 48 1HE2 GLN 4 HE21 GLN 4 -14.406 6.095 4.120 49 2HE2 GLN 4 HE22 GLN 4 -12.973 7.099 4.105 50 H ALA 5 H ALA 5 -10.315 8.651 -0.816 51 HA ALA 5 HA ALA 5 -9.595 7.082 -3.062 52 1HB ALA 5 HB3 ALA 5 -8.466 9.181 -2.398 53 2HB ALA 5 HB1 ALA 5 -7.831 8.380 -0.941 54 3HB ALA 5 HB2 ALA 5 -7.301 7.846 -2.554 55 H TRP 6 H TRP 6 -8.495 5.147 -3.291 56 HA TRP 6 HA TRP 6 -7.808 3.028 -2.794 57 1HB TRP 6 HB2 TRP 6 -7.017 4.388 -0.200 58 2HB TRP 6 HB1 TRP 6 -6.694 2.689 -0.519 59 HD1 TRP 6 HD1 TRP 6 -6.171 5.689 -2.898 60 HE1 TRP 6 HE1 TRP 6 -3.719 5.751 -3.670 61 HE3 TRP 6 HE3 TRP 6 -4.352 1.796 -0.111 62 HZ2 TRP 6 HZ2 TRP 6 -1.311 4.309 -3.152 63 HZ3 TRP 6 HZ3 TRP 6 -1.956 1.183 -0.278 64 HH2 TRP 6 HH2 TRP 6 -0.442 2.425 -1.795 65 H LEU 7 H LEU 7 -8.082 1.213 -0.912 66 HA LEU 7 HA LEU 7 -10.858 1.450 0.153 67 1HB LEU 7 HB1 LEU 7 -9.634 -0.926 -1.306 68 2HB LEU 7 HB2 LEU 7 -11.215 -0.912 -0.499 69 HG LEU 7 HG LEU 7 -11.406 1.319 -2.118 70 1HD1 LEU 7 HD13 LEU 7 -9.248 0.769 -3.226 71 2HD1 LEU 7 HD12 LEU 7 -9.883 -0.836 -3.654 72 3HD1 LEU 7 HD11 LEU 7 -10.612 0.627 -4.358 73 1HD2 LEU 7 HD21 LEU 7 -12.129 -1.568 -2.783 74 2HD2 LEU 7 HD22 LEU 7 -13.110 -0.433 -1.823 75 3HD2 LEU 7 HD23 LEU 7 -12.833 -0.125 -3.553 76 H TRP 8 H TRP 8 -11.294 -0.199 1.857 77 HA TRP 8 HA TRP 8 -9.387 0.021 3.922 78 1HB TRP 8 HB1 TRP 8 -10.898 -1.254 5.215 79 2HB TRP 8 HB2 TRP 8 -11.893 -0.318 4.094 80 HD1 TRP 8 HD1 TRP 8 -11.108 -3.798 5.173 81 HE1 TRP 8 HE1 TRP 8 -12.534 -5.531 3.912 82 HE3 TRP 8 HE3 TRP 8 -13.090 -0.749 1.562 83 HZ2 TRP 8 HZ2 TRP 8 -14.281 -5.581 1.660 84 HZ3 TRP 8 HZ3 TRP 8 -14.639 -1.689 -0.129 85 HH2 TRP 8 HH2 TRP 8 -15.237 -4.098 -0.088 86 H GLU 9 H GLU 9 -10.148 -2.757 1.724 87 HA GLU 9 HA GLU 9 -8.348 -4.527 3.083 88 1HB GLU 9 H GLU 9 -8.835 -6.099 1.404 89 2HB GLU 9 H GLU 9 -10.327 -5.160 1.581 90 1HG GLU 9 H GLU 9 -8.246 -4.490 -0.542 91 2HG GLU 9 H GLU 9 -9.503 -5.698 -0.812 92 H GLU 10 H GLU 10 -7.910 -2.077 0.563 93 HA GLU 10 HA GLU 10 -5.353 -3.065 -0.337 94 1HB GLU 10 H GLU 10 -6.573 -0.276 -0.486 95 2HB GLU 10 H GLU 10 -5.142 -0.822 -1.383 96 1HG GLU 10 H GLU 10 -7.779 -2.308 -1.611 97 2HG GLU 10 H GLU 10 -7.467 -0.859 -2.579 98 H ASP 11 H ASP 11 -6.410 -0.553 2.025 99 HA ASP 11 HA ASP 11 -3.777 0.246 2.792 100 1HB ASP 11 H ASP 11 -6.479 0.320 4.186 101 2HB ASP 11 H ASP 11 -5.006 0.983 4.923 102 H LYS 12 H LYS 12 -6.031 -2.243 4.098 103 HA LYS 12 HA LYS 12 -4.362 -3.122 6.229 104 1HB LYS 12 H LYS 12 -6.701 -3.745 6.114 105 2HB LYS 12 H LYS 12 -6.465 -4.534 4.537 106 1HG LYS 12 H LYS 12 -5.043 -6.240 5.538 107 2HG LYS 12 H LYS 12 -5.077 -5.405 7.110 108 1HD LYS 12 H LYS 12 -7.433 -5.834 7.381 109 2HD LYS 12 H LYS 12 -7.590 -6.401 5.702 110 1HE LYS 12 H LYS 12 -5.785 -7.761 7.745 111 2HE LYS 12 H LYS 12 -7.482 -8.225 7.500 112 1HZ LYS 12 H LYS 12 -6.963 -8.663 5.205 113 2HZ LYS 12 H LYS 12 -5.383 -8.258 5.444 114 3HZ LYS 12 H LYS 12 -6.019 -9.575 6.204 115 H ASN 13 H ASN 13 -4.652 -4.161 2.805 116 HA ASN 13 HA ASN 13 -2.832 -6.308 2.844 117 1HB ASN 13 HB2 ASN 13 -3.888 -4.390 0.789 118 2HB ASN 13 HB1 ASN 13 -2.487 -5.369 0.357 119 1HD2 ASN 13 HD22 ASN 13 -5.069 -7.575 -0.798 120 2HD2 ASN 13 HD21 ASN 13 -3.996 -6.274 -1.278 121 H LEU 14 H LEU 14 -2.272 -2.781 2.506 122 HA LEU 14 HA LEU 14 0.430 -2.877 1.735 123 1HB LEU 14 HB2 LEU 14 -1.117 -0.855 1.847 124 2HB LEU 14 HB1 LEU 14 -0.832 -0.829 3.599 125 HG LEU 14 HG LEU 14 1.649 -0.668 3.132 126 1HD1 LEU 14 HD12 LEU 14 0.590 -0.482 0.286 127 2HD1 LEU 14 HD13 LEU 14 2.165 0.197 0.754 128 3HD1 LEU 14 HD11 LEU 14 1.868 -1.546 0.915 129 1HD2 LEU 14 HD22 LEU 14 -0.125 1.493 1.916 130 2HD2 LEU 14 HD21 LEU 14 0.282 1.328 3.640 131 3HD2 LEU 14 HD23 LEU 14 1.553 1.717 2.458 132 H ARG 15 H ARG 15 -1.008 -2.794 5.049 133 HA ARG 15 HA ARG 15 1.470 -2.768 6.433 134 1HB ARG 15 H ARG 15 -1.187 -3.955 7.322 135 2HB ARG 15 H ARG 15 0.161 -3.490 8.378 136 1HG ARG 15 H ARG 15 -0.070 -1.130 7.447 137 2HG ARG 15 H ARG 15 -1.568 -1.659 6.656 138 1HD ARG 15 H ARG 15 -2.559 -2.246 8.802 139 2HD ARG 15 H ARG 15 -1.036 -1.906 9.648 140 HE ARG 15 H ARG 15 -3.037 0.020 8.768 141 1HH1 ARG 15 H ARG 15 0.413 -0.442 9.456 142 2HH1 ARG 15 H ARG 15 0.703 1.250 9.813 143 1HH2 ARG 15 H ARG 15 -2.662 2.219 9.395 144 2HH2 ARG 15 H ARG 15 -1.044 2.749 9.804 145 H SER 16 H SER 16 -0.697 -5.532 5.588 146 HA SER 16 HA SER 16 0.893 -7.563 6.735 147 1HB SER 16 HB2 SER 16 -1.448 -7.837 5.969 148 2HB SER 16 HB1 SER 16 -0.911 -7.691 4.279 149 HG SER 16 HG SER 16 0.304 -9.560 4.544 150 H GLY 17 H GLY 17 0.805 -6.435 3.307 151 1HA GLY 17 HA2 GLY 17 2.768 -8.172 2.301 152 2HA GLY 17 HA1 GLY 17 2.339 -6.590 1.619 153 H VAL 18 H VAL 18 3.176 -4.744 3.413 154 HA VAL 18 HA VAL 18 5.969 -4.651 2.953 155 HB VAL 18 HB VAL 18 4.164 -3.119 4.868 156 1HG1 VAL 18 HG13 VAL 18 7.115 -2.858 4.220 157 2HG1 VAL 18 HG12 VAL 18 6.150 -1.458 4.732 158 3HG1 VAL 18 HG11 VAL 18 6.323 -2.858 5.814 159 1HG2 VAL 18 HG23 VAL 18 3.782 -2.874 2.388 160 2HG2 VAL 18 HG22 VAL 18 4.327 -1.370 3.163 161 3HG2 VAL 18 HG21 VAL 18 5.472 -2.352 2.218 162 H ARG 19 H ARG 19 4.124 -5.535 5.930 163 HA ARG 19 HA ARG 19 6.399 -5.798 7.613 164 1HB ARG 19 H ARG 19 3.619 -7.018 7.641 165 2HB ARG 19 H ARG 19 4.809 -7.359 8.913 166 1HG ARG 19 H ARG 19 4.183 -4.496 8.120 167 2HG ARG 19 H ARG 19 3.126 -5.370 9.249 168 1HD ARG 19 H ARG 19 6.135 -4.981 9.595 169 2HD ARG 19 H ARG 19 4.885 -4.040 10.427 170 HE ARG 19 H ARG 19 5.778 -6.743 11.055 171 1HH1 ARG 19 H ARG 19 3.068 -4.464 11.259 172 2HH1 ARG 19 H ARG 19 2.366 -5.220 12.669 173 1HH2 ARG 19 H ARG 19 4.835 -7.737 12.909 174 2HH2 ARG 19 H ARG 19 3.363 -7.095 13.598 175 H LYS 20 H LYS 20 4.839 -8.097 5.348 176 HA LYS 20 HA LYS 20 6.430 -10.345 6.276 177 1HB LYS 20 H LYS 20 4.559 -9.851 3.942 178 2HB LYS 20 H LYS 20 5.471 -11.369 4.114 179 1HG LYS 20 H LYS 20 4.486 -11.775 6.309 180 2HG LYS 20 H LYS 20 3.664 -10.196 6.273 181 1HD LYS 20 H LYS 20 2.407 -10.924 4.245 182 2HD LYS 20 H LYS 20 3.181 -12.521 4.353 183 1HE LYS 20 H LYS 20 1.475 -11.252 6.545 184 2HE LYS 20 H LYS 20 0.893 -12.463 5.384 185 1HZ LYS 20 H LYS 20 2.571 -13.963 6.234 186 2HZ LYS 20 H LYS 20 3.040 -12.844 7.352 187 3HZ LYS 20 H LYS 20 1.523 -13.489 7.418 188 H TYR 21 H TYR 21 6.376 -8.515 3.135 189 HA TYR 21 HA TYR 21 8.855 -9.750 2.300 190 1HB TYR 21 HB2 TYR 21 7.304 -7.375 1.204 191 2HB TYR 21 HB1 TYR 21 8.681 -8.151 0.406 192 HD1 TYR 21 HD1 TYR 21 8.411 -10.858 0.251 193 HD2 TYR 21 HD2 TYR 21 5.191 -8.005 0.446 194 HE1 TYR 21 HE1 TYR 21 6.882 -12.507 -0.805 195 HE2 TYR 21 HE2 TYR 21 3.669 -9.653 -0.613 196 HH TYR 21 HH TYR 21 3.453 -11.753 -1.495 197 H GLY 22 H GLY 22 8.165 -6.211 2.662 198 1HA GLY 22 HA1 GLY 22 9.940 -5.497 4.610 199 2HA GLY 22 HA2 GLY 22 10.988 -5.708 3.190 200 H GLU 23 H GLU 23 10.674 -3.229 4.485 201 HA GLU 23 HA GLU 23 8.727 -1.578 3.102 202 1HB GLU 23 H GLU 23 11.197 -0.858 4.752 203 2HB GLU 23 H GLU 23 9.912 0.269 4.254 204 1HG GLU 23 H GLU 23 8.255 -1.137 5.490 205 2HG GLU 23 H GLU 23 9.576 -2.180 6.045 206 H GLY 24 H GLY 24 9.392 -2.411 0.901 207 1HA GLY 24 HA1 GLY 24 10.675 -0.519 -0.640 208 2HA GLY 24 HA2 GLY 24 11.982 -1.616 -0.146 209 H ASN 25 H ASN 25 9.932 -3.917 -0.028 210 HA ASN 25 HA ASN 25 10.314 -4.763 -2.794 211 1HB ASN 25 HB2 ASN 25 8.894 -6.075 -0.442 212 2HB ASN 25 HB1 ASN 25 9.297 -6.866 -1.981 213 1HD2 ASN 25 HD21 ASN 25 12.900 -6.813 -1.322 214 2HD2 ASN 25 HD22 ASN 25 11.779 -6.419 -2.607 215 H TRP 26 H TRP 26 8.861 -2.599 -3.164 216 HA TRP 26 HA TRP 26 6.040 -2.831 -2.884 217 1HB TRP 26 HB2 TRP 26 7.621 -1.274 -4.949 218 2HB TRP 26 HB1 TRP 26 5.970 -0.950 -4.404 219 HD1 TRP 26 HD1 TRP 26 9.267 0.333 -3.950 220 HE1 TRP 26 HE1 TRP 26 9.594 1.640 -1.758 221 HE3 TRP 26 HE3 TRP 26 5.092 -1.245 -1.444 222 HZ2 TRP 26 HZ2 TRP 26 8.239 1.938 0.736 223 HZ3 TRP 26 HZ3 TRP 26 4.647 -0.420 0.850 224 HH2 TRP 26 HH2 TRP 26 6.215 1.160 1.945 225 H SER 27 H SER 27 8.309 -3.801 -5.482 226 HA SER 27 HA SER 27 6.441 -4.399 -7.494 227 1HB SER 27 HB1 SER 27 8.984 -5.951 -6.867 228 2HB SER 27 HB2 SER 27 8.189 -5.763 -8.449 229 HG SER 27 HG SER 27 9.900 -4.304 -8.256 230 H LYS 28 H LYS 28 7.727 -6.526 -4.865 231 HA LYS 28 HA LYS 28 6.243 -8.840 -5.595 232 1HB LYS 28 H LYS 28 7.387 -7.870 -2.943 233 2HB LYS 28 H LYS 28 6.620 -9.460 -3.150 234 1HG LYS 28 H LYS 28 8.250 -9.909 -5.039 235 2HG LYS 28 H LYS 28 9.092 -8.407 -4.587 236 1HD LYS 28 H LYS 28 9.503 -9.284 -2.324 237 2HD LYS 28 H LYS 28 8.559 -10.745 -2.694 238 1HE LYS 28 H LYS 28 10.895 -11.312 -2.920 239 2HE LYS 28 H LYS 28 10.193 -11.254 -4.551 240 1HZ LYS 28 H LYS 28 11.729 -9.094 -3.278 241 2HZ LYS 28 H LYS 28 12.307 -10.137 -4.417 242 3HZ LYS 28 H LYS 28 11.111 -9.072 -4.807 243 H ILE 29 H ILE 29 5.586 -6.302 -3.117 244 HA ILE 29 HA ILE 29 3.139 -7.246 -2.173 245 HB ILE 29 HB ILE 29 4.187 -4.413 -2.581 246 1HG1 ILE 29 HG11 ILE 29 3.893 -6.002 -0.004 247 2HG1 ILE 29 HG12 ILE 29 5.337 -6.156 -1.024 248 1HG2 ILE 29 HG21 ILE 29 1.754 -5.406 -1.033 249 2HG2 ILE 29 HG22 ILE 29 2.450 -3.778 -0.876 250 3HG2 ILE 29 HG23 ILE 29 1.753 -4.293 -2.423 251 1HD1 ILE 29 HD12 ILE 29 5.666 -3.682 -0.883 252 2HD1 ILE 29 HD13 ILE 29 4.281 -3.586 0.225 253 3HD1 ILE 29 HD11 ILE 29 5.741 -4.477 0.702 254 H LEU 30 H LEU 30 3.762 -5.148 -5.034 255 HA LEU 30 HA LEU 30 1.063 -4.723 -5.766 256 1HB LEU 30 HB1 LEU 30 3.372 -3.730 -6.635 257 2HB LEU 30 HB2 LEU 30 3.278 -5.054 -7.808 258 HG LEU 30 HG LEU 30 2.299 -3.169 -8.883 259 1HD1 LEU 30 HD11 LEU 30 0.944 -5.331 -8.962 260 2HD1 LEU 30 HD13 LEU 30 -0.130 -4.595 -7.744 261 3HD1 LEU 30 HD12 LEU 30 0.055 -3.841 -9.340 262 1HD2 LEU 30 HD22 LEU 30 0.737 -2.725 -6.309 263 2HD2 LEU 30 HD21 LEU 30 2.027 -1.702 -6.976 264 3HD2 LEU 30 HD23 LEU 30 0.468 -1.834 -7.819 265 H LEU 31 H LEU 31 3.418 -7.212 -6.906 266 HA LEU 31 HA LEU 31 1.400 -8.525 -8.527 267 1HB LEU 31 HB2 LEU 31 4.042 -8.309 -8.774 268 2HB LEU 31 HB1 LEU 31 4.035 -9.785 -7.784 269 HG LEU 31 HG LEU 31 2.203 -10.591 -9.530 270 1HD1 LEU 31 HD11 LEU 31 2.041 -8.384 -10.677 271 2HD1 LEU 31 HD13 LEU 31 3.761 -8.501 -11.122 272 3HD1 LEU 31 HD12 LEU 31 2.587 -9.663 -11.787 273 1HD2 LEU 31 HD21 LEU 31 5.171 -10.370 -10.200 274 2HD2 LEU 31 HD22 LEU 31 4.407 -11.643 -9.218 275 3HD2 LEU 31 HD23 LEU 31 4.030 -11.509 -10.952 276 H HIS 32 H HIS 32 1.046 -8.406 -5.410 277 HA HIS 32 HA HIS 32 0.308 -11.267 -5.212 278 1HB HIS 32 HB2 HIS 32 2.180 -9.821 -3.307 279 2HB HIS 32 HB1 HIS 32 1.285 -11.279 -2.846 280 HD1 HIS 32 HD1 HIS 32 1.601 -13.150 -5.190 281 HD2 HIS 32 HD2 HIS 32 4.725 -10.700 -3.865 282 HE1 HIS 32 HE1 HIS 32 3.785 -14.177 -5.993 283 H TYR 33 H TYR 33 0.475 -8.315 -3.111 284 HA TYR 33 HA TYR 33 -2.110 -9.083 -1.950 285 1HB TYR 33 HB2 TYR 33 0.081 -7.120 -1.330 286 2HB TYR 33 HB1 TYR 33 -1.519 -6.884 -0.624 287 HD1 TYR 33 HD1 TYR 33 -2.537 -8.625 0.841 288 HD2 TYR 33 HD2 TYR 33 1.540 -8.859 -0.517 289 HE1 TYR 33 HE1 TYR 33 -2.046 -10.284 2.616 290 HE2 TYR 33 HE2 TYR 33 2.033 -10.525 1.264 291 HH TYR 33 HH TYR 33 -0.491 -11.677 3.530 292 H LYS 34 H LYS 34 -2.969 -8.651 -4.355 293 HA LYS 34 HA LYS 34 -4.465 -7.423 -5.588 294 1HB LYS 34 H LYS 34 -5.426 -7.408 -3.180 295 2HB LYS 34 H LYS 34 -4.931 -5.706 -3.135 296 1HG LYS 34 H LYS 34 -6.348 -5.205 -5.080 297 2HG LYS 34 H LYS 34 -6.715 -6.932 -5.295 298 1HD LYS 34 H LYS 34 -7.897 -7.014 -3.176 299 2HD LYS 34 H LYS 34 -7.380 -5.363 -2.762 300 1HE LYS 34 H LYS 34 -8.846 -5.728 -5.355 301 2HE LYS 34 H LYS 34 -9.792 -5.908 -3.863 302 1HZ LYS 34 H LYS 34 -8.074 -3.587 -4.405 303 2HZ LYS 34 H LYS 34 -9.682 -3.640 -4.782 304 3HZ LYS 34 H LYS 34 -9.205 -3.758 -3.205 305 H PHE 35 H PHE 35 -4.773 -4.418 -4.448 306 HA PHE 35 HA PHE 35 -4.082 -2.347 -5.041 307 1HB PHE 35 HB2 PHE 35 -1.414 -3.703 -5.551 308 2HB PHE 35 HB1 PHE 35 -1.686 -1.961 -5.658 309 HD1 PHE 35 HD1 PHE 35 -3.013 -0.970 -3.510 310 HD2 PHE 35 HD2 PHE 35 -0.542 -4.497 -3.532 311 HE1 PHE 35 HE1 PHE 35 -2.693 -0.764 -1.062 312 HE2 PHE 35 HE2 PHE 35 -0.232 -4.282 -1.076 313 HZ PHE 35 HZ PHE 35 -1.304 -2.415 0.150 314 H ASN 36 H ASN 36 -3.614 -0.967 -6.898 315 HA ASN 36 HA ASN 36 -4.605 -2.275 -9.358 316 1HB ASN 36 HB1 ASN 36 -5.491 -0.085 -8.133 317 2HB ASN 36 HB2 ASN 36 -4.178 0.697 -9.035 318 1HD2 ASN 36 HD21 ASN 36 -7.483 0.616 -10.980 319 2HD2 ASN 36 HD22 ASN 36 -7.105 1.043 -9.326 320 H ASN 37 H ASN 37 -3.559 -0.207 -11.133 321 HA ASN 37 HA ASN 37 -0.938 -1.366 -11.632 322 1HB ASN 37 HB1 ASN 37 -0.994 0.047 -13.647 323 2HB ASN 37 HB2 ASN 37 -2.502 -0.869 -13.463 324 1HD2 ASN 37 HD21 ASN 37 -3.274 2.710 -14.392 325 2HD2 ASN 37 HD22 ASN 37 -2.273 1.453 -15.087 326 H ARG 38 H ARG 38 -0.465 -0.419 -9.256 327 HA ARG 38 HA ARG 38 0.482 2.371 -9.356 328 1HB ARG 38 H ARG 38 0.743 0.255 -7.175 329 2HB ARG 38 H ARG 38 1.055 1.991 -6.999 330 1HG ARG 38 H ARG 38 -1.647 0.753 -7.715 331 2HG ARG 38 H ARG 38 -1.175 1.330 -6.104 332 1HD ARG 38 H ARG 38 -2.254 3.217 -6.874 333 2HD ARG 38 H ARG 38 -0.607 3.570 -7.442 334 HE ARG 38 H ARG 38 -1.945 2.109 -9.474 335 1HH1 ARG 38 H ARG 38 -2.104 5.246 -7.842 336 2HH1 ARG 38 H ARG 38 -2.784 6.080 -9.219 337 1HH2 ARG 38 H ARG 38 -2.864 3.206 -11.283 338 2HH2 ARG 38 H ARG 38 -3.181 4.926 -11.192 339 H THR 39 H THR 39 2.895 2.000 -7.780 340 HA THR 39 HA THR 39 4.577 0.217 -9.422 341 HB THR 39 HB THR 39 5.115 3.217 -9.260 342 HG1 THR 39 HG1 THR 39 3.892 1.548 -11.148 343 1HG2 THR 39 HG22 THR 39 6.498 0.927 -10.732 344 2HG2 THR 39 HG23 THR 39 6.888 2.652 -10.927 345 3HG2 THR 39 HG21 THR 39 7.168 1.849 -9.365 346 H SER 40 H SER 40 5.671 3.027 -7.493 347 HA SER 40 HA SER 40 6.366 1.240 -5.242 348 1HB SER 40 HB2 SER 40 8.367 2.812 -6.921 349 2HB SER 40 HB1 SER 40 8.732 2.117 -5.325 350 HG SER 40 HG SER 40 9.299 0.725 -7.070 351 H VAL 41 H VAL 41 6.891 4.556 -6.584 352 HA VAL 41 HA VAL 41 7.098 5.853 -4.095 353 HB VAL 41 HB VAL 41 6.599 7.922 -5.360 354 1HG1 VAL 41 HG11 VAL 41 8.847 6.812 -5.470 355 2HG1 VAL 41 HG12 VAL 41 8.331 5.985 -6.959 356 3HG1 VAL 41 HG13 VAL 41 8.460 7.758 -6.927 357 1HG2 VAL 41 HG22 VAL 41 5.863 5.975 -7.595 358 2HG2 VAL 41 HG21 VAL 41 4.795 7.163 -6.813 359 3HG2 VAL 41 HG23 VAL 41 6.143 7.715 -7.829 360 H MET 42 H MET 42 4.233 4.851 -5.949 361 HA MET 42 HA MET 42 2.317 6.430 -4.548 362 1HB MET 42 HB1 MET 42 2.126 3.775 -6.022 363 2HB MET 42 HB2 MET 42 0.713 4.663 -5.407 364 1HG MET 42 HG1 MET 42 2.574 6.344 -6.969 365 2HG MET 42 HG2 MET 42 1.899 5.001 -7.900 366 1HE MET 42 HE3 MET 42 1.171 8.164 -5.750 367 2HE MET 42 HE2 MET 42 -0.599 8.319 -5.844 368 3HE MET 42 HE1 MET 42 0.126 6.981 -4.925 369 H LEU 43 H LEU 43 3.320 2.989 -4.129 370 HA LEU 43 HA LEU 43 1.752 2.533 -1.795 371 1HB LEU 43 HB2 LEU 43 4.268 1.218 -2.887 372 2HB LEU 43 HB1 LEU 43 3.363 0.598 -1.487 373 HG LEU 43 HG LEU 43 1.845 1.184 -4.029 374 1HD1 LEU 43 HD11 LEU 43 3.599 -1.258 -3.535 375 2HD1 LEU 43 HD13 LEU 43 2.346 -1.152 -4.793 376 3HD1 LEU 43 HD12 LEU 43 3.761 -0.076 -4.856 377 1HD2 LEU 43 HD21 LEU 43 0.720 0.473 -1.903 378 2HD2 LEU 43 HD22 LEU 43 0.483 -0.689 -3.227 379 3HD2 LEU 43 HD23 LEU 43 1.663 -1.034 -1.941 380 H LYS 44 H LYS 44 5.096 3.696 -2.298 381 HA LYS 44 HA LYS 44 5.938 3.642 0.405 382 1HB LYS 44 H LYS 44 7.355 4.000 -1.672 383 2HB LYS 44 H LYS 44 6.724 5.660 -1.728 384 1HG LYS 44 H LYS 44 7.547 5.907 0.698 385 2HG LYS 44 H LYS 44 8.378 4.357 0.471 386 1HD LYS 44 H LYS 44 9.933 6.210 0.037 387 2HD LYS 44 H LYS 44 9.626 5.306 -1.462 388 1HE LYS 44 H LYS 44 9.599 7.873 -1.635 389 2HE LYS 44 H LYS 44 8.213 7.022 -2.337 390 1HZ LYS 44 H LYS 44 8.251 8.225 0.344 391 2HZ LYS 44 H LYS 44 7.603 8.933 -0.997 392 3HZ LYS 44 H LYS 44 6.952 7.538 -0.407 393 H ASP 45 H ASP 45 4.358 6.253 -1.534 394 HA ASP 45 HA ASP 45 4.397 8.239 0.475 395 1HB ASP 45 H ASP 45 3.902 8.670 -1.898 396 2HB ASP 45 H ASP 45 2.369 7.784 -1.745 397 H ARG 46 H ARG 46 2.105 5.566 -0.140 398 HA ARG 46 HA ARG 46 0.180 6.470 1.825 399 1HB ARG 46 H ARG 46 -0.237 4.916 -0.162 400 2HB ARG 46 H ARG 46 0.610 3.651 0.754 401 1HG ARG 46 H ARG 46 -1.626 3.255 1.337 402 2HG ARG 46 H ARG 46 -1.084 4.279 2.681 403 1HD ARG 46 H ARG 46 -2.140 6.218 1.757 404 2HD ARG 46 H ARG 46 -2.376 5.429 0.180 405 HE ARG 46 H ARG 46 -3.747 3.868 2.097 406 1HH1 ARG 46 H ARG 46 -3.888 7.099 0.644 407 2HH1 ARG 46 H ARG 46 -5.606 7.287 0.901 408 1HH2 ARG 46 H ARG 46 -6.009 4.126 2.454 409 2HH2 ARG 46 H ARG 46 -6.811 5.604 1.957 410 H TRP 47 H TRP 47 2.978 4.232 1.777 411 HA TRP 47 HA TRP 47 2.504 3.071 4.322 412 1HB TRP 47 HB2 TRP 47 3.963 2.120 2.573 413 2HB TRP 47 HB1 TRP 47 5.117 3.438 2.831 414 HD1 TRP 47 HD1 TRP 47 7.080 2.631 4.174 415 HE1 TRP 47 HE1 TRP 47 7.533 1.043 6.151 416 HE3 TRP 47 HE3 TRP 47 2.310 0.961 4.967 417 HZ2 TRP 47 HZ2 TRP 47 6.016 -0.703 7.839 418 HZ3 TRP 47 HZ3 TRP 47 1.857 -0.658 6.774 419 HH2 TRP 47 HH2 TRP 47 3.687 -1.507 8.208 420 H ARG 48 H ARG 48 4.568 5.914 3.385 421 HA ARG 48 HA ARG 48 5.797 6.282 5.883 422 1HB ARG 48 H ARG 48 5.885 8.743 5.238 423 2HB ARG 48 H ARG 48 6.567 7.602 4.058 424 1HG ARG 48 H ARG 48 4.743 7.832 2.594 425 2HG ARG 48 H ARG 48 3.678 8.484 3.852 426 1HD ARG 48 H ARG 48 6.179 9.999 3.142 427 2HD ARG 48 H ARG 48 4.795 10.082 2.036 428 HE ARG 48 H ARG 48 5.013 11.271 4.696 429 1HH1 ARG 48 H ARG 48 2.897 10.428 1.961 430 2HH1 ARG 48 H ARG 48 1.481 11.173 2.673 431 1HH2 ARG 48 H ARG 48 3.152 12.327 5.563 432 2HH2 ARG 48 H ARG 48 1.661 12.364 4.652 433 H THR 49 H THR 49 2.475 7.063 4.882 434 HA THR 49 HA THR 49 1.922 8.592 7.306 435 HB THR 49 HB THR 49 0.005 7.405 5.251 436 HG1 THR 49 HG1 THR 49 0.244 9.336 4.192 437 1HG2 THR 49 HG22 THR 49 -0.227 9.724 7.224 438 2HG2 THR 49 HG21 THR 49 -1.457 9.268 6.022 439 3HG2 THR 49 HG23 THR 49 -1.059 8.155 7.352 440 H MET 50 H MET 50 0.861 5.416 5.940 441 HA MET 50 HA MET 50 -0.592 4.553 8.203 442 1HB MET 50 HB2 MET 50 0.858 3.046 5.993 443 2HB MET 50 HB1 MET 50 -0.190 2.251 7.187 444 1HG MET 50 HG1 MET 50 -1.075 4.554 5.407 445 2HG MET 50 HG2 MET 50 -1.329 2.849 5.013 446 1HE MET 50 HE3 MET 50 -3.824 3.535 4.615 447 2HE MET 50 HE2 MET 50 -4.909 4.192 5.860 448 3HE MET 50 HE1 MET 50 -3.595 5.197 5.204 449 H LYS 51 H LYS 51 2.863 4.786 7.742 450 HA LYS 51 HA LYS 51 3.921 2.732 9.249 451 1HB LYS 51 H LYS 51 5.188 4.519 8.028 452 2HB LYS 51 H LYS 51 4.771 5.659 9.323 453 1HG LYS 51 H LYS 51 6.942 4.891 9.890 454 2HG LYS 51 H LYS 51 5.864 3.944 10.940 455 1HD LYS 51 H LYS 51 6.006 2.022 9.437 456 2HD LYS 51 H LYS 51 6.920 2.975 8.242 457 1HE LYS 51 H LYS 51 8.744 3.285 9.907 458 2HE LYS 51 H LYS 51 7.838 2.298 11.074 459 1HZ LYS 51 H LYS 51 8.817 1.387 8.452 460 2HZ LYS 51 H LYS 51 9.493 1.027 9.914 461 3HZ LYS 51 H LYS 51 7.987 0.470 9.545 462 H LYS 52 H LYS 52 2.801 5.922 10.534 463 HA LYS 52 HA LYS 52 1.849 4.642 12.970 464 1HB LYS 52 H LYS 52 4.433 5.004 13.194 465 2HB LYS 52 H LYS 52 4.017 6.727 13.338 466 1HG LYS 52 H LYS 52 2.553 6.241 15.259 467 2HG LYS 52 H LYS 52 2.831 4.498 15.058 468 1HD LYS 52 H LYS 52 4.256 5.291 16.855 469 2HD LYS 52 H LYS 52 5.288 4.894 15.464 470 1HE LYS 52 H LYS 52 4.268 7.709 15.605 471 2HE LYS 52 H LYS 52 5.451 7.240 16.844 472 1HZ LYS 52 H LYS 52 5.840 6.931 13.951 473 2HZ LYS 52 H LYS 52 6.478 8.138 14.874 474 3HZ LYS 52 H LYS 52 6.938 6.574 15.127 475 H LEU 53 H LEU 53 0.506 6.000 10.954 476 HA LEU 53 HA LEU 53 -0.591 8.255 12.472 477 1HB LEU 53 HB1 LEU 53 1.375 8.817 10.588 478 2HB LEU 53 HB2 LEU 53 -0.108 8.943 9.622 479 HG LEU 53 HG LEU 53 0.411 11.131 10.520 480 1HD1 LEU 53 HD11 LEU 53 -2.004 10.332 10.522 481 2HD1 LEU 53 HD12 LEU 53 -1.822 10.018 12.264 482 3HD1 LEU 53 HD13 LEU 53 -1.644 11.671 11.636 483 1HD2 LEU 53 HD23 LEU 53 1.811 10.236 12.441 484 2HD2 LEU 53 HD22 LEU 53 0.750 11.602 12.854 485 3HD2 LEU 53 HD21 LEU 53 0.294 9.952 13.326 No H/Q in entry = 485 Start of MODEL 8 1 1H ARG 1 H2 ARG 1 -16.397 14.416 2.275 2 2H ARG 1 H3 ARG 1 -17.330 13.519 1.255 3 3H ARG 1 H1 ARG 1 -17.455 13.310 2.887 4 HA ARG 1 HA ARG 1 -15.258 12.453 3.033 5 1HB ARG 1 H ARG 1 -16.875 11.112 0.821 6 2HB ARG 1 H ARG 1 -15.572 10.352 1.759 7 1HG ARG 1 H ARG 1 -18.162 11.459 2.952 8 2HG ARG 1 H ARG 1 -17.848 9.748 2.600 9 1HD ARG 1 H ARG 1 -15.790 9.933 4.112 10 2HD ARG 1 H ARG 1 -16.401 11.525 4.604 11 HE ARG 1 H ARG 1 -18.064 10.515 5.866 12 1HH1 ARG 1 H ARG 1 -16.587 8.122 3.699 13 2HH1 ARG 1 H ARG 1 -17.311 6.751 4.503 14 1HH2 ARG 1 H ARG 1 -19.026 8.695 6.906 15 2HH2 ARG 1 H ARG 1 -18.722 7.080 6.313 16 H LYS 2 H LYS 2 -13.362 11.617 1.847 17 HA LYS 2 HA LYS 2 -12.429 13.593 -0.048 18 1HB LYS 2 H LYS 2 -11.299 11.739 1.762 19 2HB LYS 2 H LYS 2 -10.774 11.190 0.162 20 1HG LYS 2 H LYS 2 -10.500 14.042 1.229 21 2HG LYS 2 H LYS 2 -9.193 12.841 1.193 22 1HD LYS 2 H LYS 2 -10.668 13.909 -1.263 23 2HD LYS 2 H LYS 2 -9.053 14.416 -0.725 24 1HE LYS 2 H LYS 2 -8.331 11.986 -0.906 25 2HE LYS 2 H LYS 2 -9.896 11.649 -1.675 26 1HZ LYS 2 H LYS 2 -9.323 13.302 -3.337 27 2HZ LYS 2 H LYS 2 -7.829 13.480 -2.659 28 3HZ LYS 2 H LYS 2 -8.270 12.028 -3.317 29 H ARG 3 H ARG 3 -13.786 10.332 -0.223 30 HA ARG 3 HA ARG 3 -14.517 9.061 -1.960 31 1HB ARG 3 H ARG 3 -14.045 11.558 -3.647 32 2HB ARG 3 H ARG 3 -14.901 10.100 -4.179 33 1HG ARG 3 H ARG 3 -16.571 10.398 -2.390 34 2HG ARG 3 H ARG 3 -15.706 11.839 -1.805 35 1HD ARG 3 H ARG 3 -16.078 12.975 -3.947 36 2HD ARG 3 H ARG 3 -16.867 11.530 -4.610 37 HE ARG 3 H ARG 3 -18.011 13.506 -2.772 38 1HH1 ARG 3 H ARG 3 -18.210 10.168 -3.958 39 2HH1 ARG 3 H ARG 3 -19.922 10.017 -3.643 40 1HH2 ARG 3 H ARG 3 -20.275 13.298 -2.375 41 2HH2 ARG 3 H ARG 3 -21.091 11.788 -2.707 42 H GLN 4 H GLN 4 -12.086 11.008 -3.785 43 HA GLN 4 HA GLN 4 -10.905 8.566 -4.843 44 1HB GLN 4 HB1 GLN 4 -10.153 11.512 -5.083 45 2HB GLN 4 HB2 GLN 4 -9.376 10.190 -5.987 46 1HG GLN 4 HG1 GLN 4 -11.553 9.583 -6.991 47 2HG GLN 4 HG2 GLN 4 -12.349 10.879 -6.072 48 1HE2 GLN 4 HE21 GLN 4 -9.954 11.791 -9.334 49 2HE2 GLN 4 HE22 GLN 4 -9.805 10.245 -8.527 50 H ALA 5 H ALA 5 -10.363 7.662 -2.665 51 HA ALA 5 HA ALA 5 -7.614 8.504 -1.898 52 1HB ALA 5 HB1 ALA 5 -9.182 9.574 -0.301 53 2HB ALA 5 HB3 ALA 5 -9.903 7.986 0.052 54 3HB ALA 5 HB2 ALA 5 -8.208 8.315 0.490 55 H TRP 6 H TRP 6 -6.926 6.718 -0.075 56 HA TRP 6 HA TRP 6 -6.866 4.222 -1.520 57 1HB TRP 6 HB2 TRP 6 -5.852 5.217 1.145 58 2HB TRP 6 HB1 TRP 6 -5.790 3.496 0.746 59 HD1 TRP 6 HD1 TRP 6 -4.620 6.806 -0.870 60 HE1 TRP 6 HE1 TRP 6 -2.329 6.449 -1.993 61 HE3 TRP 6 HE3 TRP 6 -4.032 1.810 0.075 62 HZ2 TRP 6 HZ2 TRP 6 -0.514 4.286 -2.425 63 HZ3 TRP 6 HZ3 TRP 6 -1.997 0.636 -0.720 64 HH2 TRP 6 HH2 TRP 6 -0.243 1.864 -1.970 65 H LEU 7 H LEU 7 -7.980 2.341 -1.172 66 HA LEU 7 HA LEU 7 -10.433 2.517 0.414 67 1HB LEU 7 HB2 LEU 7 -9.204 0.566 -1.539 68 2HB LEU 7 HB1 LEU 7 -10.492 0.006 -0.452 69 HG LEU 7 HG LEU 7 -11.946 1.887 -1.247 70 1HD1 LEU 7 HD13 LEU 7 -9.556 2.372 -3.075 71 2HD1 LEU 7 HD12 LEU 7 -11.189 2.978 -3.438 72 3HD1 LEU 7 HD11 LEU 7 -10.345 3.528 -1.976 73 1HD2 LEU 7 HD22 LEU 7 -12.069 -0.369 -2.274 74 2HD2 LEU 7 HD23 LEU 7 -12.402 0.905 -3.471 75 3HD2 LEU 7 HD21 LEU 7 -10.816 0.100 -3.448 76 H TRP 8 H TRP 8 -10.978 0.994 2.108 77 HA TRP 8 HA TRP 8 -8.994 0.690 4.080 78 1HB TRP 8 HB2 TRP 8 -10.650 -0.274 5.350 79 2HB TRP 8 HB1 TRP 8 -11.626 0.581 4.151 80 HD1 TRP 8 HD1 TRP 8 -11.260 -2.669 5.737 81 HE1 TRP 8 HE1 TRP 8 -12.586 -4.528 4.551 82 HE3 TRP 8 HE3 TRP 8 -12.308 -0.249 1.343 83 HZ2 TRP 8 HZ2 TRP 8 -13.911 -4.907 2.055 84 HZ3 TRP 8 HZ3 TRP 8 -13.606 -1.405 -0.421 85 HH2 TRP 8 HH2 TRP 8 -14.412 -3.726 -0.073 86 H GLU 9 H GLU 9 -10.147 -1.563 1.550 87 HA GLU 9 HA GLU 9 -8.646 -3.824 2.486 88 1HB GLU 9 H GLU 9 -10.684 -3.881 1.005 89 2HB GLU 9 H GLU 9 -9.684 -3.233 -0.318 90 1HG GLU 9 H GLU 9 -8.258 -5.174 -0.296 91 2HG GLU 9 H GLU 9 -8.963 -5.753 1.229 92 H GLU 10 H GLU 10 -8.025 -1.165 0.172 93 HA GLU 10 HA GLU 10 -5.623 -2.222 -0.935 94 1HB GLU 10 H GLU 10 -7.061 -0.299 -1.808 95 2HB GLU 10 H GLU 10 -6.331 0.714 -0.543 96 1HG GLU 10 H GLU 10 -4.860 1.152 -2.262 97 2HG GLU 10 H GLU 10 -4.063 -0.271 -1.572 98 H ASP 11 H ASP 11 -6.236 0.030 1.826 99 HA ASP 11 HA ASP 11 -3.478 0.351 2.528 100 1HB ASP 11 H ASP 11 -6.110 0.713 3.993 101 2HB ASP 11 H ASP 11 -4.557 0.950 4.817 102 H LYS 12 H LYS 12 -6.038 -1.933 3.609 103 HA LYS 12 HA LYS 12 -4.538 -3.249 5.617 104 1HB LYS 12 H LYS 12 -6.927 -3.575 5.392 105 2HB LYS 12 H LYS 12 -6.742 -4.210 3.745 106 1HG LYS 12 H LYS 12 -5.130 -5.666 5.760 107 2HG LYS 12 H LYS 12 -6.882 -5.749 6.048 108 1HD LYS 12 H LYS 12 -7.260 -6.527 3.742 109 2HD LYS 12 H LYS 12 -5.521 -6.394 3.392 110 1HE LYS 12 H LYS 12 -5.020 -8.087 5.104 111 2HE LYS 12 H LYS 12 -6.742 -8.189 5.532 112 1HZ LYS 12 H LYS 12 -5.592 -8.855 2.910 113 2HZ LYS 12 H LYS 12 -6.076 -9.942 4.052 114 3HZ LYS 12 H LYS 12 -7.186 -8.965 3.320 115 H ASN 13 H ASN 13 -4.794 -3.827 2.077 116 HA ASN 13 HA ASN 13 -3.134 -6.140 2.004 117 1HB ASN 13 HB2 ASN 13 -4.667 -5.455 0.188 118 2HB ASN 13 HB1 ASN 13 -3.674 -4.016 -0.115 119 1HD2 ASN 13 HD21 ASN 13 -2.218 -6.030 -2.664 120 2HD2 ASN 13 HD22 ASN 13 -3.413 -4.800 -2.322 121 H LEU 14 H LEU 14 -2.427 -2.627 1.619 122 HA LEU 14 HA LEU 14 0.315 -2.869 0.976 123 1HB LEU 14 HB2 LEU 14 -0.906 -0.772 0.732 124 2HB LEU 14 HB1 LEU 14 -1.233 -0.711 2.474 125 HG LEU 14 HG LEU 14 1.239 -0.557 2.900 126 1HD1 LEU 14 HD13 LEU 14 1.313 -0.429 -0.144 127 2HD1 LEU 14 HD12 LEU 14 2.665 0.064 0.903 128 3HD1 LEU 14 HD11 LEU 14 2.115 -1.626 0.898 129 1HD2 LEU 14 HD21 LEU 14 -0.223 1.462 2.707 130 2HD2 LEU 14 HD23 LEU 14 1.449 1.775 2.187 131 3HD2 LEU 14 HD22 LEU 14 0.167 1.548 0.974 132 H ARG 15 H ARG 15 -1.205 -2.242 4.194 133 HA ARG 15 HA ARG 15 1.172 -2.338 5.697 134 1HB ARG 15 H ARG 15 -1.007 -1.467 6.497 135 2HB ARG 15 H ARG 15 -1.660 -3.122 6.518 136 1HG ARG 15 H ARG 15 -0.060 -3.800 8.221 137 2HG ARG 15 H ARG 15 0.802 -2.248 8.093 138 1HD ARG 15 H ARG 15 -1.224 -1.058 8.874 139 2HD ARG 15 H ARG 15 -2.087 -2.608 9.002 140 HE ARG 15 H ARG 15 0.291 -2.817 10.525 141 1HH1 ARG 15 H ARG 15 -2.751 -1.002 10.516 142 2HH1 ARG 15 H ARG 15 -2.794 -0.799 12.251 143 1HH2 ARG 15 H ARG 15 0.230 -2.545 12.818 144 2HH2 ARG 15 H ARG 15 -1.094 -1.680 13.564 145 H SER 16 H SER 16 -1.235 -4.974 5.101 146 HA SER 16 HA SER 16 0.094 -6.980 6.563 147 1HB SER 16 HB1 SER 16 -2.230 -7.113 5.673 148 2HB SER 16 HB2 SER 16 -1.574 -7.274 4.027 149 HG SER 16 HG SER 16 -1.020 -9.012 6.208 150 H GLY 17 H GLY 17 0.370 -6.112 3.077 151 1HA GLY 17 HA1 GLY 17 2.191 -8.140 2.345 152 2HA GLY 17 HA2 GLY 17 1.983 -6.579 1.525 153 H VAL 18 H VAL 18 2.936 -4.652 2.961 154 HA VAL 18 HA VAL 18 5.713 -4.844 2.871 155 HB VAL 18 HB VAL 18 3.897 -3.044 4.531 156 1HG1 VAL 18 HG13 VAL 18 6.903 -2.971 4.046 157 2HG1 VAL 18 HG11 VAL 18 5.970 -1.536 4.530 158 3HG1 VAL 18 HG12 VAL 18 6.045 -2.948 5.607 159 1HG2 VAL 18 HG22 VAL 18 3.733 -2.962 2.009 160 2HG2 VAL 18 HG21 VAL 18 4.295 -1.441 2.738 161 3HG2 VAL 18 HG23 VAL 18 5.458 -2.539 1.958 162 H ARG 19 H ARG 19 3.544 -5.371 5.695 163 HA ARG 19 HA ARG 19 5.594 -5.704 7.624 164 1HB ARG 19 H ARG 19 3.201 -5.330 8.129 165 2HB ARG 19 H ARG 19 2.810 -6.942 7.491 166 1HG ARG 19 H ARG 19 4.970 -6.898 9.545 167 2HG ARG 19 H ARG 19 3.371 -6.394 10.137 168 1HD ARG 19 H ARG 19 3.914 -8.968 8.594 169 2HD ARG 19 H ARG 19 3.765 -8.857 10.361 170 HE ARG 19 H ARG 19 1.452 -7.672 9.297 171 1HH1 ARG 19 H ARG 19 3.041 -10.835 9.310 172 2HH1 ARG 19 H ARG 19 1.555 -11.736 9.130 173 1HH2 ARG 19 H ARG 19 -0.512 -8.867 9.073 174 2HH2 ARG 19 H ARG 19 -0.474 -10.613 8.998 175 H LYS 20 H LYS 20 4.156 -8.004 5.270 176 HA LYS 20 HA LYS 20 5.829 -10.178 6.444 177 1HB LYS 20 H LYS 20 3.145 -10.105 5.771 178 2HB LYS 20 H LYS 20 3.861 -10.869 4.338 179 1HG LYS 20 H LYS 20 4.400 -11.762 7.212 180 2HG LYS 20 H LYS 20 3.168 -12.489 6.156 181 1HD LYS 20 H LYS 20 4.985 -12.993 4.480 182 2HD LYS 20 H LYS 20 6.179 -12.417 5.670 183 1HE LYS 20 H LYS 20 5.390 -14.121 7.285 184 2HE LYS 20 H LYS 20 4.198 -14.697 6.099 185 1HZ LYS 20 H LYS 20 6.013 -15.256 4.647 186 2HZ LYS 20 H LYS 20 7.117 -14.728 5.753 187 3HZ LYS 20 H LYS 20 6.169 -16.034 6.093 188 H TYR 21 H TYR 21 6.891 -7.980 4.614 189 HA TYR 21 HA TYR 21 8.221 -9.847 2.757 190 1HB TYR 21 HB2 TYR 21 6.566 -7.473 1.864 191 2HB TYR 21 HB1 TYR 21 7.906 -8.091 0.888 192 HD1 TYR 21 HD1 TYR 21 7.757 -10.962 0.990 193 HD2 TYR 21 HD2 TYR 21 4.525 -8.113 0.913 194 HE1 TYR 21 HE1 TYR 21 6.250 -12.690 0.050 195 HE2 TYR 21 HE2 TYR 21 3.030 -9.845 -0.035 196 HH TYR 21 HH TYR 21 4.151 -13.168 -0.719 197 H GLY 22 H GLY 22 7.962 -6.558 4.142 198 1HA GLY 22 HA2 GLY 22 10.015 -5.793 5.293 199 2HA GLY 22 HA1 GLY 22 10.933 -6.325 3.868 200 H GLU 23 H GLU 23 10.577 -3.619 5.182 201 HA GLU 23 HA GLU 23 9.016 -1.971 3.426 202 1HB GLU 23 H GLU 23 11.391 -1.243 5.199 203 2HB GLU 23 H GLU 23 10.180 -0.120 4.537 204 1HG GLU 23 H GLU 23 8.405 -1.484 5.753 205 2HG GLU 23 H GLU 23 9.728 -2.350 6.562 206 H GLY 24 H GLY 24 9.814 -0.452 1.831 207 1HA GLY 24 HA2 GLY 24 11.358 0.345 0.257 208 2HA GLY 24 HA1 GLY 24 12.533 -0.882 0.777 209 H ASN 25 H ASN 25 10.577 -3.116 0.624 210 HA ASN 25 HA ASN 25 10.848 -3.664 -2.234 211 1HB ASN 25 HB1 ASN 25 9.515 -5.270 -0.011 212 2HB ASN 25 HB2 ASN 25 9.919 -5.858 -1.634 213 1HD2 ASN 25 HD22 ASN 25 13.595 -5.148 -0.506 214 2HD2 ASN 25 HD21 ASN 25 12.525 -4.139 -1.449 215 H TRP 26 H TRP 26 9.361 -3.176 -3.736 216 HA TRP 26 HA TRP 26 6.526 -2.824 -2.855 217 1HB TRP 26 HB2 TRP 26 7.901 -1.244 -5.045 218 2HB TRP 26 HB1 TRP 26 6.315 -0.952 -4.318 219 HD1 TRP 26 HD1 TRP 26 9.608 0.422 -4.285 220 HE1 TRP 26 HE1 TRP 26 10.155 1.792 -2.177 221 HE3 TRP 26 HE3 TRP 26 5.794 -1.180 -1.267 222 HZ2 TRP 26 HZ2 TRP 26 9.095 2.128 0.451 223 HZ3 TRP 26 HZ3 TRP 26 5.599 -0.300 1.041 224 HH2 TRP 26 HH2 TRP 26 7.242 1.345 1.907 225 H SER 27 H SER 27 8.664 -3.302 -5.735 226 HA SER 27 HA SER 27 6.723 -4.334 -7.476 227 1HB SER 27 HB2 SER 27 9.637 -5.196 -7.279 228 2HB SER 27 HB1 SER 27 8.597 -5.232 -8.724 229 HG SER 27 HG SER 27 8.466 -2.957 -8.585 230 H LYS 28 H LYS 28 8.715 -5.978 -4.989 231 HA LYS 28 HA LYS 28 8.026 -8.647 -5.559 232 1HB LYS 28 H LYS 28 9.764 -7.708 -3.913 233 2HB LYS 28 H LYS 28 8.414 -7.476 -2.777 234 1HG LYS 28 H LYS 28 7.914 -10.034 -3.441 235 2HG LYS 28 H LYS 28 9.655 -10.027 -3.793 236 1HD LYS 28 H LYS 28 8.389 -9.135 -1.159 237 2HD LYS 28 H LYS 28 9.146 -10.720 -1.440 238 1HE LYS 28 H LYS 28 11.302 -9.635 -1.932 239 2HE LYS 28 H LYS 28 10.561 -8.034 -1.736 240 1HZ LYS 28 H LYS 28 10.025 -8.735 0.556 241 2HZ LYS 28 H LYS 28 10.968 -10.068 0.333 242 3HZ LYS 28 H LYS 28 11.636 -8.560 0.249 243 H ILE 29 H ILE 29 6.427 -6.243 -3.402 244 HA ILE 29 HA ILE 29 4.369 -7.996 -2.509 245 HB ILE 29 HB ILE 29 4.172 -4.967 -2.751 246 1HG1 ILE 29 HG11 ILE 29 5.624 -6.684 -0.682 247 2HG1 ILE 29 HG12 ILE 29 6.334 -5.433 -1.723 248 1HG2 ILE 29 HG22 ILE 29 2.175 -6.421 -2.045 249 2HG2 ILE 29 HG23 ILE 29 3.122 -6.861 -0.608 250 3HG2 ILE 29 HG21 ILE 29 2.663 -5.165 -0.888 251 1HD1 ILE 29 HD12 ILE 29 4.807 -3.749 -0.614 252 2HD1 ILE 29 HD11 ILE 29 4.340 -5.024 0.537 253 3HD1 ILE 29 HD13 ILE 29 6.025 -4.467 0.466 254 H LEU 30 H LEU 30 4.532 -5.611 -5.207 255 HA LEU 30 HA LEU 30 1.870 -5.805 -6.099 256 1HB LEU 30 HB1 LEU 30 4.486 -4.944 -7.182 257 2HB LEU 30 HB2 LEU 30 3.383 -5.549 -8.431 258 HG LEU 30 HG LEU 30 3.208 -3.081 -8.050 259 1HD1 LEU 30 HD11 LEU 30 1.297 -4.439 -8.930 260 2HD1 LEU 30 HD13 LEU 30 0.679 -4.596 -7.272 261 3HD1 LEU 30 HD12 LEU 30 0.774 -2.995 -8.034 262 1HD2 LEU 30 HD21 LEU 30 3.645 -3.147 -5.588 263 2HD2 LEU 30 HD22 LEU 30 2.195 -2.216 -6.018 264 3HD2 LEU 30 HD23 LEU 30 2.033 -3.850 -5.346 265 H LEU 31 H LEU 31 4.720 -7.836 -6.917 266 HA LEU 31 HA LEU 31 3.428 -9.450 -8.861 267 1HB LEU 31 HB2 LEU 31 5.797 -9.849 -7.010 268 2HB LEU 31 HB1 LEU 31 5.274 -11.126 -8.128 269 HG LEU 31 HG LEU 31 5.752 -8.293 -9.116 270 1HD1 LEU 31 HD12 LEU 31 7.811 -10.526 -8.831 271 2HD1 LEU 31 HD11 LEU 31 8.064 -8.996 -9.704 272 3HD1 LEU 31 HD13 LEU 31 7.811 -8.984 -7.944 273 1HD2 LEU 31 HD23 LEU 31 5.886 -11.059 -10.404 274 2HD2 LEU 31 HD21 LEU 31 4.592 -9.860 -10.629 275 3HD2 LEU 31 HD22 LEU 31 6.229 -9.524 -11.236 276 H HIS 32 H HIS 32 3.663 -9.759 -5.288 277 HA HIS 32 HA HIS 32 2.313 -12.340 -5.290 278 1HB HIS 32 HB2 HIS 32 3.048 -10.374 -3.091 279 2HB HIS 32 HB1 HIS 32 2.317 -11.964 -2.807 280 HD1 HIS 32 HD1 HIS 32 3.853 -13.922 -4.413 281 HD2 HIS 32 HD2 HIS 32 5.735 -10.623 -2.658 282 HE1 HIS 32 HE1 HIS 32 6.330 -14.464 -4.207 283 H TYR 33 H TYR 33 1.366 -9.259 -3.634 284 HA TYR 33 HA TYR 33 -1.464 -10.065 -3.938 285 1HB TYR 33 HB2 TYR 33 -0.118 -7.826 -2.383 286 2HB TYR 33 HB1 TYR 33 -1.856 -8.155 -2.391 287 HD1 TYR 33 HD1 TYR 33 -2.276 -10.909 -1.997 288 HD2 TYR 33 HD2 TYR 33 0.905 -8.480 -0.400 289 HE1 TYR 33 HE1 TYR 33 -2.007 -12.499 -0.109 290 HE2 TYR 33 HE2 TYR 33 1.167 -10.075 1.488 291 HH TYR 33 HH TYR 33 -0.872 -12.995 1.814 292 H LYS 34 H LYS 34 -2.822 -9.156 -5.361 293 HA LYS 34 HA LYS 34 -1.797 -7.071 -7.163 294 1HB LYS 34 H LYS 34 -4.351 -8.730 -7.078 295 2HB LYS 34 H LYS 34 -4.001 -7.506 -8.321 296 1HG LYS 34 H LYS 34 -2.099 -8.723 -9.130 297 2HG LYS 34 H LYS 34 -2.084 -9.791 -7.708 298 1HD LYS 34 H LYS 34 -3.038 -10.972 -9.644 299 2HD LYS 34 H LYS 34 -4.282 -10.733 -8.395 300 1HE LYS 34 H LYS 34 -5.227 -8.848 -9.609 301 2HE LYS 34 H LYS 34 -3.889 -8.870 -10.779 302 1HZ LYS 34 H LYS 34 -5.862 -11.014 -10.396 303 2HZ LYS 34 H LYS 34 -5.853 -9.924 -11.634 304 3HZ LYS 34 H LYS 34 -4.630 -11.021 -11.494 305 H PHE 35 H PHE 35 -2.171 -4.954 -6.843 306 HA PHE 35 HA PHE 35 -4.145 -4.122 -4.804 307 1HB PHE 35 HB2 PHE 35 -1.945 -2.692 -6.333 308 2HB PHE 35 HB1 PHE 35 -3.073 -1.864 -5.252 309 HD1 PHE 35 HD2 PHE 35 -0.515 -4.604 -5.329 310 HD2 PHE 35 HD1 PHE 35 -2.679 -1.763 -2.928 311 HE1 PHE 35 HE2 PHE 35 0.914 -5.157 -3.382 312 HE2 PHE 35 HE1 PHE 35 -1.250 -2.318 -0.981 313 HZ PHE 35 HZ PHE 35 0.549 -4.017 -1.204 314 H ASN 36 H ASN 36 -5.040 -1.698 -5.646 315 HA ASN 36 HA ASN 36 -6.934 -2.485 -7.733 316 1HB ASN 36 HB1 ASN 36 -7.598 -1.187 -5.716 317 2HB ASN 36 HB2 ASN 36 -6.585 0.161 -6.269 318 1HD2 ASN 36 HD22 ASN 36 -8.882 1.367 -8.664 319 2HD2 ASN 36 HD21 ASN 36 -7.284 1.491 -7.963 320 H ASN 37 H ASN 37 -4.730 0.349 -7.334 321 HA ASN 37 HA ASN 37 -3.864 0.110 -10.127 322 1HB ASN 37 HB1 ASN 37 -6.091 1.438 -10.039 323 2HB ASN 37 HB2 ASN 37 -5.153 2.715 -9.237 324 1HD2 ASN 37 HD21 ASN 37 -3.226 3.556 -12.167 325 2HD2 ASN 37 HD22 ASN 37 -3.135 3.462 -10.419 326 H ARG 38 H ARG 38 -2.239 -0.435 -8.216 327 HA ARG 38 HA ARG 38 -0.760 2.060 -7.498 328 1HB ARG 38 H ARG 38 -0.621 -0.661 -6.137 329 2HB ARG 38 H ARG 38 0.031 0.884 -5.548 330 1HG ARG 38 H ARG 38 -2.931 0.278 -5.960 331 2HG ARG 38 H ARG 38 -2.086 0.218 -4.401 332 1HD ARG 38 H ARG 38 -1.535 2.602 -4.571 333 2HD ARG 38 H ARG 38 -2.310 2.690 -6.168 334 HE ARG 38 H ARG 38 -4.196 1.632 -4.338 335 1HH1 ARG 38 H ARG 38 -2.453 4.645 -5.017 336 2HH1 ARG 38 H ARG 38 -3.695 5.672 -4.341 337 1HH2 ARG 38 H ARG 38 -5.820 2.987 -3.446 338 2HH2 ARG 38 H ARG 38 -5.615 4.724 -3.433 339 H THR 39 H THR 39 1.710 1.478 -7.162 340 HA THR 39 HA THR 39 2.646 -0.546 -9.088 341 HB THR 39 HB THR 39 3.347 2.405 -9.420 342 HG1 THR 39 HG1 THR 39 1.466 0.704 -10.614 343 1HG2 THR 39 HG22 THR 39 4.024 -0.099 -11.028 344 2HG2 THR 39 HG21 THR 39 4.391 1.568 -11.534 345 3HG2 THR 39 HG23 THR 39 5.164 0.889 -10.082 346 H SER 40 H SER 40 4.050 2.401 -7.493 347 HA SER 40 HA SER 40 5.567 0.735 -5.636 348 1HB SER 40 HB1 SER 40 6.928 0.458 -7.653 349 2HB SER 40 HB2 SER 40 6.967 2.221 -7.902 350 HG SER 40 HG SER 40 7.978 0.831 -5.640 351 H VAL 41 H VAL 41 5.727 3.980 -7.246 352 HA VAL 41 HA VAL 41 6.600 5.385 -4.966 353 HB VAL 41 HB VAL 41 6.616 6.219 -7.328 354 1HG1 VAL 41 HG12 VAL 41 4.245 5.465 -7.848 355 2HG1 VAL 41 HG11 VAL 41 3.663 6.830 -6.866 356 3HG1 VAL 41 HG13 VAL 41 4.616 7.133 -8.335 357 1HG2 VAL 41 HG22 VAL 41 6.894 7.745 -5.375 358 2HG2 VAL 41 HG23 VAL 41 6.114 8.551 -6.756 359 3HG2 VAL 41 HG21 VAL 41 5.136 8.027 -5.365 360 H MET 42 H MET 42 3.330 4.437 -6.018 361 HA MET 42 HA MET 42 1.829 6.016 -4.202 362 1HB MET 42 HB2 MET 42 1.373 3.369 -5.620 363 2HB MET 42 HB1 MET 42 0.158 4.051 -4.521 364 1HG MET 42 HG1 MET 42 1.358 5.626 -6.817 365 2HG MET 42 HG2 MET 42 -0.093 4.630 -6.996 366 1HE MET 42 HE2 MET 42 -0.064 7.625 -7.818 367 2HE MET 42 HE3 MET 42 -1.514 6.596 -7.889 368 3HE MET 42 HE1 MET 42 -1.599 8.200 -7.123 369 H LEU 43 H LEU 43 3.070 2.640 -3.935 370 HA LEU 43 HA LEU 43 2.076 2.158 -1.314 371 1HB LEU 43 HB2 LEU 43 4.380 0.966 -2.915 372 2HB LEU 43 HB1 LEU 43 3.918 0.384 -1.303 373 HG LEU 43 HG LEU 43 1.488 0.252 -2.373 374 1HD1 LEU 43 HD12 LEU 43 3.354 0.115 -4.782 375 2HD1 LEU 43 HD11 LEU 43 1.680 -0.482 -4.779 376 3HD1 LEU 43 HD13 LEU 43 2.003 1.242 -4.537 377 1HD2 LEU 43 HD22 LEU 43 2.808 -1.655 -1.503 378 2HD2 LEU 43 HD21 LEU 43 1.968 -2.088 -3.008 379 3HD2 LEU 43 HD23 LEU 43 3.711 -1.729 -3.034 380 H LYS 44 H LYS 44 5.236 3.348 -2.529 381 HA LYS 44 HA LYS 44 6.597 3.479 -0.079 382 1HB LYS 44 H LYS 44 7.540 3.775 -2.398 383 2HB LYS 44 H LYS 44 6.835 5.406 -2.426 384 1HG LYS 44 H LYS 44 8.120 5.833 -0.232 385 2HG LYS 44 H LYS 44 8.999 4.327 -0.577 386 1HD LYS 44 H LYS 44 8.815 6.732 -2.455 387 2HD LYS 44 H LYS 44 10.206 6.352 -1.411 388 1HE LYS 44 H LYS 44 10.387 4.119 -2.572 389 2HE LYS 44 H LYS 44 9.110 4.645 -3.691 390 1HZ LYS 44 H LYS 44 10.518 6.466 -4.333 391 2HZ LYS 44 H LYS 44 11.706 5.966 -3.304 392 3HZ LYS 44 H LYS 44 11.279 5.026 -4.590 393 H ASP 45 H ASP 45 4.870 6.175 -1.774 394 HA ASP 45 HA ASP 45 5.173 8.079 0.274 395 1HB ASP 45 H ASP 45 4.469 8.655 -1.986 396 2HB ASP 45 H ASP 45 2.969 7.720 -1.796 397 H ARG 46 H ARG 46 2.344 5.922 -0.385 398 HA ARG 46 HA ARG 46 0.744 6.790 1.744 399 1HB ARG 46 H ARG 46 -0.066 5.367 -0.072 400 2HB ARG 46 H ARG 46 0.978 4.033 0.466 401 1HG ARG 46 H ARG 46 -1.375 3.739 1.227 402 2HG ARG 46 H ARG 46 -0.255 3.893 2.595 403 1HD ARG 46 H ARG 46 -0.917 6.142 3.024 404 2HD ARG 46 H ARG 46 -1.735 6.287 1.453 405 HE ARG 46 H ARG 46 -3.079 4.219 2.703 406 1HH1 ARG 46 H ARG 46 -2.213 7.522 3.671 407 2HH1 ARG 46 H ARG 46 -3.655 7.763 4.627 408 1HH2 ARG 46 H ARG 46 -5.056 4.609 3.838 409 2HH2 ARG 46 H ARG 46 -5.243 6.081 4.772 410 H TRP 47 H TRP 47 3.243 4.182 1.693 411 HA TRP 47 HA TRP 47 2.786 3.405 4.413 412 1HB TRP 47 HB1 TRP 47 3.918 2.035 2.645 413 2HB TRP 47 HB2 TRP 47 5.311 3.124 2.751 414 HD1 TRP 47 HD1 TRP 47 7.139 2.231 4.231 415 HE1 TRP 47 HE1 TRP 47 7.371 0.680 6.281 416 HE3 TRP 47 HE3 TRP 47 2.194 1.164 4.987 417 HZ2 TRP 47 HZ2 TRP 47 5.640 -0.805 7.993 418 HZ3 TRP 47 HZ3 TRP 47 1.521 -0.317 6.855 419 HH2 TRP 47 HH2 TRP 47 3.234 -1.311 8.356 420 H ARG 48 H ARG 48 4.803 5.901 2.861 421 HA ARG 48 HA ARG 48 6.478 6.410 5.118 422 1HB ARG 48 H ARG 48 6.303 7.302 2.475 423 2HB ARG 48 H ARG 48 5.927 8.753 3.422 424 1HG ARG 48 H ARG 48 8.319 6.950 3.990 425 2HG ARG 48 H ARG 48 8.400 8.372 2.926 426 1HD ARG 48 H ARG 48 7.746 9.852 4.740 427 2HD ARG 48 H ARG 48 7.449 8.479 5.821 428 HE ARG 48 H ARG 48 10.027 9.667 5.132 429 1HH1 ARG 48 H ARG 48 8.333 6.815 6.393 430 2HH1 ARG 48 H ARG 48 9.746 6.162 7.185 431 1HH2 ARG 48 H ARG 48 11.886 8.790 6.180 432 2HH2 ARG 48 H ARG 48 11.768 7.295 7.075 433 H THR 49 H THR 49 3.541 8.191 3.914 434 HA THR 49 HA THR 49 3.522 10.032 6.065 435 HB THR 49 HB THR 49 2.276 10.370 3.966 436 HG1 THR 49 HG1 THR 49 0.399 11.167 4.998 437 1HG2 THR 49 HG22 THR 49 1.443 8.054 3.655 438 2HG2 THR 49 HG23 THR 49 0.371 8.251 5.059 439 3HG2 THR 49 HG21 THR 49 0.122 9.237 3.603 440 H MET 50 H MET 50 2.050 6.756 5.790 441 HA MET 50 HA MET 50 0.613 6.940 8.277 442 1HB MET 50 HB1 MET 50 1.585 4.611 6.580 443 2HB MET 50 HB2 MET 50 0.687 4.383 8.099 444 1HG MET 50 HG2 MET 50 -1.055 6.010 7.113 445 2HG MET 50 HG1 MET 50 -0.238 5.773 5.565 446 1HE MET 50 HE1 MET 50 0.297 3.287 4.679 447 2HE MET 50 HE3 MET 50 0.558 2.498 6.251 448 3HE MET 50 HE2 MET 50 -0.654 1.850 5.122 449 H LYS 51 H LYS 51 3.810 5.517 7.368 450 HA LYS 51 HA LYS 51 4.491 5.047 10.177 451 1HB LYS 51 H LYS 51 5.198 3.637 8.128 452 2HB LYS 51 H LYS 51 6.362 4.939 7.782 453 1HG LYS 51 H LYS 51 7.240 4.666 10.147 454 2HG LYS 51 H LYS 51 6.174 3.252 10.319 455 1HD LYS 51 H LYS 51 7.288 2.303 8.224 456 2HD LYS 51 H LYS 51 8.478 3.617 8.356 457 1HE LYS 51 H LYS 51 7.882 1.500 10.474 458 2HE LYS 51 H LYS 51 9.321 1.564 9.436 459 1HZ LYS 51 H LYS 51 9.859 3.673 10.448 460 2HZ LYS 51 H LYS 51 8.551 3.560 11.447 461 3HZ LYS 51 H LYS 51 9.780 2.467 11.570 462 H LYS 52 H LYS 52 3.817 7.577 10.207 463 HA LYS 52 HA LYS 52 6.234 9.019 10.847 464 1HB LYS 52 H LYS 52 6.306 9.319 8.401 465 2HB LYS 52 H LYS 52 4.618 9.865 8.398 466 1HG LYS 52 H LYS 52 5.487 11.697 10.098 467 2HG LYS 52 H LYS 52 7.085 11.274 9.450 468 1HD LYS 52 H LYS 52 6.578 12.849 7.871 469 2HD LYS 52 H LYS 52 5.655 11.526 7.122 470 1HE LYS 52 H LYS 52 4.544 13.578 9.098 471 2HE LYS 52 H LYS 52 4.302 13.614 7.340 472 1HZ LYS 52 H LYS 52 3.472 11.376 9.040 473 2HZ LYS 52 H LYS 52 2.474 12.626 8.646 474 3HZ LYS 52 H LYS 52 3.072 11.638 7.463 475 H LEU 53 H LEU 53 2.793 9.340 9.830 476 HA LEU 53 HA LEU 53 0.969 10.120 10.975 477 1HB LEU 53 HB1 LEU 53 2.416 9.316 13.080 478 2HB LEU 53 HB2 LEU 53 2.575 11.065 13.345 479 HG LEU 53 HG LEU 53 0.666 10.300 14.605 480 1HD1 LEU 53 HD13 LEU 53 0.450 12.464 13.307 481 2HD1 LEU 53 HD11 LEU 53 -0.456 11.559 12.069 482 3HD1 LEU 53 HD12 LEU 53 -1.096 11.688 13.722 483 1HD2 LEU 53 HD23 LEU 53 0.359 8.196 13.186 484 2HD2 LEU 53 HD21 LEU 53 -1.135 8.998 13.720 485 3HD2 LEU 53 HD22 LEU 53 -0.568 9.201 12.049 No H/Q in entry = 485 Start of MODEL 9 1 1H ARG 1 H2 ARG 1 -10.828 8.704 3.821 2 2H ARG 1 H1 ARG 1 -9.317 8.700 3.161 3 3H ARG 1 H3 ARG 1 -9.502 8.819 4.794 4 HA ARG 1 HA ARG 1 -10.554 10.933 4.605 5 1HB ARG 1 H ARG 1 -8.072 10.779 4.845 6 2HB ARG 1 H ARG 1 -7.921 10.834 3.072 7 1HG ARG 1 H ARG 1 -9.008 13.045 3.023 8 2HG ARG 1 H ARG 1 -9.270 12.978 4.783 9 1HD ARG 1 H ARG 1 -6.814 12.868 5.137 10 2HD ARG 1 H ARG 1 -6.562 12.956 3.378 11 HE ARG 1 H ARG 1 -8.168 15.165 4.155 12 1HH1 ARG 1 H ARG 1 -4.875 13.921 4.566 13 2HH1 ARG 1 H ARG 1 -4.155 15.504 4.748 14 1HH2 ARG 1 H ARG 1 -7.212 17.251 4.410 15 2HH2 ARG 1 H ARG 1 -5.488 17.402 4.659 16 H LYS 2 H LYS 2 -9.156 9.964 1.396 17 HA LYS 2 HA LYS 2 -10.618 11.965 -0.043 18 1HB LYS 2 H LYS 2 -9.135 9.430 -0.818 19 2HB LYS 2 H LYS 2 -9.984 10.418 -2.027 20 1HG LYS 2 H LYS 2 -8.000 11.656 -0.087 21 2HG LYS 2 H LYS 2 -7.460 10.911 -1.607 22 1HD LYS 2 H LYS 2 -9.756 12.811 -1.863 23 2HD LYS 2 H LYS 2 -8.213 13.540 -1.369 24 1HE LYS 2 H LYS 2 -8.304 13.593 -3.782 25 2HE LYS 2 H LYS 2 -7.109 12.366 -3.316 26 1HZ LYS 2 H LYS 2 -9.897 11.822 -4.077 27 2HZ LYS 2 H LYS 2 -8.583 11.615 -5.052 28 3HZ LYS 2 H LYS 2 -8.757 10.693 -3.696 29 H ARG 3 H ARG 3 -11.413 8.693 1.049 30 HA ARG 3 HA ARG 3 -13.283 7.389 0.795 31 1HB ARG 3 H ARG 3 -14.566 10.122 0.348 32 2HB ARG 3 H ARG 3 -15.465 8.612 0.616 33 1HG ARG 3 H ARG 3 -14.551 8.352 2.829 34 2HG ARG 3 H ARG 3 -13.357 9.640 2.560 35 1HD ARG 3 H ARG 3 -15.231 10.465 3.931 36 2HD ARG 3 H ARG 3 -15.170 11.304 2.365 37 HE ARG 3 H ARG 3 -16.896 9.031 2.164 38 1HH1 ARG 3 H ARG 3 -16.712 12.230 3.674 39 2HH1 ARG 3 H ARG 3 -18.440 12.487 3.660 40 1HH2 ARG 3 H ARG 3 -19.178 9.387 2.126 41 2HH2 ARG 3 H ARG 3 -19.848 10.861 2.785 42 H GLN 4 H GLN 4 -11.593 7.553 -1.421 43 HA GLN 4 HA GLN 4 -13.372 6.724 -3.554 44 1HB GLN 4 HB1 GLN 4 -13.491 9.165 -3.879 45 2HB GLN 4 HB2 GLN 4 -11.717 9.277 -3.855 46 1HG GLN 4 HG2 GLN 4 -11.625 7.807 -5.873 47 2HG GLN 4 HG1 GLN 4 -13.399 7.766 -5.904 48 1HE2 GLN 4 HE22 GLN 4 -13.751 10.896 -7.483 49 2HE2 GLN 4 HE21 GLN 4 -14.519 9.472 -6.820 50 H ALA 5 H ALA 5 -10.072 8.158 -3.272 51 HA ALA 5 HA ALA 5 -8.931 5.777 -4.582 52 1HB ALA 5 HB1 ALA 5 -8.223 8.042 -5.288 53 2HB ALA 5 HB2 ALA 5 -7.669 8.385 -3.632 54 3HB ALA 5 HB3 ALA 5 -6.863 7.127 -4.599 55 H TRP 6 H TRP 6 -7.314 4.475 -3.603 56 HA TRP 6 HA TRP 6 -6.455 3.216 -1.901 57 1HB TRP 6 HB2 TRP 6 -6.107 6.050 -0.997 58 2HB TRP 6 HB1 TRP 6 -5.842 4.773 0.195 59 HD1 TRP 6 HD1 TRP 6 -4.255 6.427 -2.754 60 HE1 TRP 6 HE1 TRP 6 -1.909 5.457 -3.201 61 HE3 TRP 6 HE3 TRP 6 -4.441 2.411 0.404 62 HZ2 TRP 6 HZ2 TRP 6 -0.348 3.232 -2.307 63 HZ3 TRP 6 HZ3 TRP 6 -2.501 0.881 0.573 64 HH2 TRP 6 HH2 TRP 6 -0.459 1.276 -0.783 65 H LEU 7 H LEU 7 -8.562 2.174 -1.730 66 HA LEU 7 HA LEU 7 -10.347 3.013 0.435 67 1HB LEU 7 HB1 LEU 7 -10.309 0.539 -1.355 68 2HB LEU 7 HB2 LEU 7 -11.613 0.977 -0.228 69 HG LEU 7 HG LEU 7 -11.274 3.323 -1.696 70 1HD1 LEU 7 HD12 LEU 7 -10.992 0.922 -3.563 71 2HD1 LEU 7 HD13 LEU 7 -11.306 2.596 -4.076 72 3HD1 LEU 7 HD11 LEU 7 -9.766 2.184 -3.291 73 1HD2 LEU 7 HD23 LEU 7 -13.154 0.982 -2.242 74 2HD2 LEU 7 HD22 LEU 7 -13.417 2.281 -1.053 75 3HD2 LEU 7 HD21 LEU 7 -13.401 2.657 -2.792 76 H TRP 8 H TRP 8 -11.021 1.206 2.049 77 HA TRP 8 HA TRP 8 -8.841 0.607 3.722 78 1HB TRP 8 HB2 TRP 8 -10.386 -0.657 5.020 79 2HB TRP 8 HB1 TRP 8 -11.270 0.719 4.347 80 HD1 TRP 8 HD1 TRP 8 -13.187 0.212 2.633 81 HE1 TRP 8 HE1 TRP 8 -14.520 -1.897 1.990 82 HE3 TRP 8 HE3 TRP 8 -10.131 -3.330 4.710 83 HZ2 TRP 8 HZ2 TRP 8 -14.282 -4.722 2.335 84 HZ3 TRP 8 HZ3 TRP 8 -10.724 -5.732 4.530 85 HH2 TRP 8 HH2 TRP 8 -12.792 -6.434 3.345 86 H GLU 9 H GLU 9 -10.278 -1.222 1.038 87 HA GLU 9 HA GLU 9 -9.099 -3.747 1.586 88 1HB GLU 9 H GLU 9 -9.943 -2.434 -1.030 89 2HB GLU 9 H GLU 9 -9.502 -4.150 -0.856 90 1HG GLU 9 H GLU 9 -11.287 -4.302 0.960 91 2HG GLU 9 H GLU 9 -11.820 -2.682 0.459 92 H GLU 10 H GLU 10 -7.802 -0.764 0.232 93 HA GLU 10 HA GLU 10 -5.405 -2.129 -0.787 94 1HB GLU 10 H GLU 10 -6.661 -0.084 -1.837 95 2HB GLU 10 H GLU 10 -5.818 0.863 -0.591 96 1HG GLU 10 H GLU 10 -4.307 0.957 -2.375 97 2HG GLU 10 H GLU 10 -3.680 -0.418 -1.446 98 H ASP 11 H ASP 11 -6.447 0.016 1.886 99 HA ASP 11 HA ASP 11 -3.905 0.580 2.988 100 1HB ASP 11 H ASP 11 -6.698 0.362 4.138 101 2HB ASP 11 H ASP 11 -5.307 0.727 5.174 102 H LYS 12 H LYS 12 -6.234 -2.075 3.864 103 HA LYS 12 HA LYS 12 -4.418 -3.208 5.768 104 1HB LYS 12 H LYS 12 -6.195 -4.436 6.354 105 2HB LYS 12 H LYS 12 -7.110 -3.521 5.147 106 1HG LYS 12 H LYS 12 -5.603 -6.054 4.376 107 2HG LYS 12 H LYS 12 -7.223 -6.119 5.086 108 1HD LYS 12 H LYS 12 -8.177 -4.834 3.306 109 2HD LYS 12 H LYS 12 -6.578 -4.413 2.658 110 1HE LYS 12 H LYS 12 -6.148 -6.764 2.090 111 2HE LYS 12 H LYS 12 -7.689 -7.248 2.831 112 1HZ LYS 12 H LYS 12 -7.423 -5.444 0.523 113 2HZ LYS 12 H LYS 12 -7.813 -7.047 0.438 114 3HZ LYS 12 H LYS 12 -8.835 -5.990 1.184 115 H ASN 13 H ASN 13 -4.682 -3.479 2.284 116 HA ASN 13 HA ASN 13 -3.230 -5.975 2.067 117 1HB ASN 13 HB2 ASN 13 -4.784 -5.089 0.331 118 2HB ASN 13 HB1 ASN 13 -3.667 -3.741 0.040 119 1HD2 ASN 13 HD22 ASN 13 -2.708 -5.985 -2.620 120 2HD2 ASN 13 HD21 ASN 13 -3.814 -4.691 -2.211 121 H LEU 14 H LEU 14 -2.416 -2.483 1.824 122 HA LEU 14 HA LEU 14 0.296 -2.750 1.108 123 1HB LEU 14 HB2 LEU 14 -0.852 -0.624 0.974 124 2HB LEU 14 HB1 LEU 14 -1.203 -0.640 2.714 125 HG LEU 14 HG LEU 14 1.296 -0.584 3.148 126 1HD1 LEU 14 HD11 LEU 14 1.369 -0.079 0.142 127 2HD1 LEU 14 HD13 LEU 14 2.743 0.134 1.250 128 3HD1 LEU 14 HD12 LEU 14 2.061 -1.484 0.983 129 1HD2 LEU 14 HD23 LEU 14 0.035 1.662 1.528 130 2HD2 LEU 14 HD21 LEU 14 0.008 1.468 3.295 131 3HD2 LEU 14 HD22 LEU 14 1.537 1.825 2.461 132 H ARG 15 H ARG 15 -1.083 -2.190 4.418 133 HA ARG 15 HA ARG 15 1.400 -2.435 5.739 134 1HB ARG 15 H ARG 15 0.124 -2.586 7.777 135 2HB ARG 15 H ARG 15 -0.706 -1.454 6.688 136 1HG ARG 15 H ARG 15 -2.181 -3.396 5.964 137 2HG ARG 15 H ARG 15 -1.451 -4.350 7.276 138 1HD ARG 15 H ARG 15 -2.132 -2.495 8.871 139 2HD ARG 15 H ARG 15 -3.046 -1.768 7.529 140 HE ARG 15 H ARG 15 -3.767 -4.532 7.852 141 1HH1 ARG 15 H ARG 15 -4.152 -1.342 9.336 142 2HH1 ARG 15 H ARG 15 -5.704 -1.707 10.050 143 1HH2 ARG 15 H ARG 15 -5.812 -5.022 8.823 144 2HH2 ARG 15 H ARG 15 -6.649 -3.808 9.761 145 H SER 16 H SER 16 -0.965 -4.948 4.758 146 HA SER 16 HA SER 16 0.204 -7.082 6.256 147 1HB SER 16 HB2 SER 16 -2.034 -7.228 5.262 148 2HB SER 16 HB1 SER 16 -1.343 -7.102 3.628 149 HG SER 16 HG SER 16 -1.723 -9.269 4.219 150 H GLY 17 H GLY 17 0.657 -6.029 2.830 151 1HA GLY 17 HA1 GLY 17 2.591 -7.962 2.126 152 2HA GLY 17 HA2 GLY 17 2.381 -6.374 1.360 153 H VAL 18 H VAL 18 3.067 -4.561 3.267 154 HA VAL 18 HA VAL 18 5.909 -4.690 3.215 155 HB VAL 18 HB VAL 18 3.991 -2.936 4.808 156 1HG1 VAL 18 HG13 VAL 18 7.008 -2.883 4.433 157 2HG1 VAL 18 HG12 VAL 18 6.088 -1.412 4.806 158 3HG1 VAL 18 HG11 VAL 18 6.081 -2.774 5.947 159 1HG2 VAL 18 HG21 VAL 18 3.837 -2.784 2.315 160 2HG2 VAL 18 HG23 VAL 18 4.492 -1.295 3.032 161 3HG2 VAL 18 HG22 VAL 18 5.584 -2.458 2.245 162 H ARG 19 H ARG 19 3.543 -5.342 5.868 163 HA ARG 19 HA ARG 19 5.491 -5.706 7.913 164 1HB ARG 19 H ARG 19 3.092 -5.384 8.362 165 2HB ARG 19 H ARG 19 2.723 -6.942 7.585 166 1HG ARG 19 H ARG 19 3.995 -8.149 9.284 167 2HG ARG 19 H ARG 19 4.563 -6.621 9.998 168 1HD ARG 19 H ARG 19 2.238 -6.017 10.580 169 2HD ARG 19 H ARG 19 1.649 -7.505 9.814 170 HE ARG 19 H ARG 19 2.287 -8.719 11.678 171 1HH1 ARG 19 H ARG 19 3.850 -5.535 11.749 172 2HH1 ARG 19 H ARG 19 4.421 -5.706 13.393 173 1HH2 ARG 19 H ARG 19 3.061 -8.941 13.832 174 2HH2 ARG 19 H ARG 19 3.989 -7.658 14.572 175 H LYS 20 H LYS 20 4.039 -7.971 5.532 176 HA LYS 20 HA LYS 20 5.291 -10.311 6.645 177 1HB LYS 20 H LYS 20 3.243 -10.323 5.220 178 2HB LYS 20 H LYS 20 4.231 -9.810 3.831 179 1HG LYS 20 H LYS 20 5.557 -11.852 3.947 180 2HG LYS 20 H LYS 20 4.762 -12.331 5.466 181 1HD LYS 20 H LYS 20 2.601 -12.529 4.305 182 2HD LYS 20 H LYS 20 3.338 -11.952 2.793 183 1HE LYS 20 H LYS 20 3.193 -14.372 2.686 184 2HE LYS 20 H LYS 20 4.903 -13.925 2.866 185 1HZ LYS 20 H LYS 20 3.133 -14.790 5.046 186 2HZ LYS 20 H LYS 20 4.270 -15.728 4.304 187 3HZ LYS 20 H LYS 20 4.733 -14.414 5.187 188 H TYR 21 H TYR 21 6.191 -7.978 4.058 189 HA TYR 21 HA TYR 21 8.778 -9.449 3.761 190 1HB TYR 21 HB2 TYR 21 7.374 -7.621 1.777 191 2HB TYR 21 HB1 TYR 21 8.860 -8.545 1.498 192 HD1 TYR 21 HD1 TYR 21 8.602 -11.179 2.016 193 HD2 TYR 21 HD2 TYR 21 5.371 -8.520 0.998 194 HE1 TYR 21 HE1 TYR 21 7.234 -13.117 1.279 195 HE2 TYR 21 HE2 TYR 21 4.004 -10.457 0.269 196 HH TYR 21 HH TYR 21 3.943 -12.724 -0.068 197 H GLY 22 H GLY 22 7.883 -6.107 2.771 198 1HA GLY 22 HA2 GLY 22 8.935 -4.569 4.780 199 2HA GLY 22 HA1 GLY 22 10.372 -5.095 3.870 200 H GLU 23 H GLU 23 10.108 -2.475 3.772 201 HA GLU 23 HA GLU 23 8.469 -1.752 1.418 202 1HB GLU 23 H GLU 23 9.015 0.566 2.012 203 2HB GLU 23 H GLU 23 8.340 -0.301 3.408 204 1HG GLU 23 H GLU 23 10.653 -0.671 4.269 205 2HG GLU 23 H GLU 23 11.298 0.241 2.887 206 H GLY 24 H GLY 24 9.396 -0.731 -0.427 207 1HA GLY 24 HA2 GLY 24 11.302 -0.016 -1.718 208 2HA GLY 24 HA1 GLY 24 12.333 -1.118 -0.775 209 H ASN 25 H ASN 25 10.756 -3.423 -0.750 210 HA ASN 25 HA ASN 25 11.197 -4.424 -3.466 211 1HB ASN 25 HB1 ASN 25 10.418 -6.595 -2.351 212 2HB ASN 25 HB2 ASN 25 11.890 -5.859 -1.697 213 1HD2 ASN 25 HD21 ASN 25 8.394 -5.819 0.550 214 2HD2 ASN 25 HD22 ASN 25 8.334 -6.075 -1.184 215 H TRP 26 H TRP 26 9.354 -2.512 -3.795 216 HA TRP 26 HA TRP 26 6.640 -3.227 -3.359 217 1HB TRP 26 HB2 TRP 26 7.788 -1.505 -5.577 218 2HB TRP 26 HB1 TRP 26 6.147 -1.441 -4.911 219 HD1 TRP 26 HD1 TRP 26 9.199 0.400 -4.739 220 HE1 TRP 26 HE1 TRP 26 9.483 1.772 -2.581 221 HE3 TRP 26 HE3 TRP 26 5.552 -1.803 -1.903 222 HZ2 TRP 26 HZ2 TRP 26 8.317 1.861 0.018 223 HZ3 TRP 26 HZ3 TRP 26 5.167 -1.036 0.420 224 HH2 TRP 26 HH2 TRP 26 6.542 0.788 1.390 225 H SER 27 H SER 27 8.899 -3.907 -6.050 226 HA SER 27 HA SER 27 7.055 -4.929 -7.910 227 1HB SER 27 HB2 SER 27 9.492 -4.486 -8.305 228 2HB SER 27 HB1 SER 27 9.878 -5.937 -7.350 229 HG SER 27 HG SER 27 8.503 -7.090 -8.866 230 H LYS 28 H LYS 28 8.749 -6.575 -5.182 231 HA LYS 28 HA LYS 28 7.660 -9.165 -5.717 232 1HB LYS 28 H LYS 28 8.697 -7.925 -3.133 233 2HB LYS 28 H LYS 28 8.363 -9.653 -3.379 234 1HG LYS 28 H LYS 28 9.983 -9.591 -5.337 235 2HG LYS 28 H LYS 28 10.430 -7.945 -4.827 236 1HD LYS 28 H LYS 28 10.990 -8.867 -2.548 237 2HD LYS 28 H LYS 28 10.684 -10.503 -3.176 238 1HE LYS 28 H LYS 28 12.713 -8.550 -4.352 239 2HE LYS 28 H LYS 28 13.117 -9.837 -3.197 240 1HZ LYS 28 H LYS 28 12.270 -11.423 -4.787 241 2HZ LYS 28 H LYS 28 11.950 -10.218 -5.867 242 3HZ LYS 28 H LYS 28 13.505 -10.538 -5.427 243 H ILE 29 H ILE 29 6.681 -6.521 -3.459 244 HA ILE 29 HA ILE 29 4.505 -7.826 -2.255 245 HB ILE 29 HB ILE 29 5.177 -4.934 -2.837 246 1HG1 ILE 29 HG11 ILE 29 4.663 -6.298 -0.174 247 2HG1 ILE 29 HG12 ILE 29 6.223 -6.484 -1.004 248 1HG2 ILE 29 HG23 ILE 29 2.622 -6.032 -1.588 249 2HG2 ILE 29 HG22 ILE 29 3.190 -4.366 -1.338 250 3HG2 ILE 29 HG21 ILE 29 2.765 -4.918 -2.969 251 1HD1 ILE 29 HD11 ILE 29 4.951 -3.798 -0.315 252 2HD1 ILE 29 HD13 ILE 29 6.209 -4.599 0.646 253 3HD1 ILE 29 HD12 ILE 29 6.566 -4.064 -1.011 254 H LEU 30 H LEU 30 4.594 -5.906 -5.315 255 HA LEU 30 HA LEU 30 1.811 -6.046 -5.865 256 1HB LEU 30 HB2 LEU 30 4.314 -5.378 -7.314 257 2HB LEU 30 HB1 LEU 30 3.020 -5.999 -8.355 258 HG LEU 30 HG LEU 30 3.041 -3.483 -8.080 259 1HD1 LEU 30 HD12 LEU 30 1.006 -4.755 -8.753 260 2HD1 LEU 30 HD13 LEU 30 0.535 -4.876 -7.044 261 3HD1 LEU 30 HD11 LEU 30 0.616 -3.285 -7.831 262 1HD2 LEU 30 HD21 LEU 30 3.676 -3.527 -5.635 263 2HD2 LEU 30 HD23 LEU 30 2.295 -2.477 -6.017 264 3HD2 LEU 30 HD22 LEU 30 2.021 -4.063 -5.268 265 H LEU 31 H LEU 31 4.455 -8.368 -6.442 266 HA LEU 31 HA LEU 31 2.869 -10.076 -8.170 267 1HB LEU 31 HB2 LEU 31 5.591 -10.007 -7.041 268 2HB LEU 31 HB1 LEU 31 4.899 -11.644 -7.054 269 HG LEU 31 HG LEU 31 4.267 -11.271 -9.484 270 1HD1 LEU 31 HD13 LEU 31 4.336 -8.776 -9.420 271 2HD1 LEU 31 HD12 LEU 31 6.094 -8.845 -9.157 272 3HD1 LEU 31 HD11 LEU 31 5.398 -9.434 -10.684 273 1HD2 LEU 31 HD21 LEU 31 7.221 -11.036 -8.752 274 2HD2 LEU 31 HD22 LEU 31 6.281 -12.545 -8.835 275 3HD2 LEU 31 HD23 LEU 31 6.583 -11.604 -10.315 276 H HIS 32 H HIS 32 3.829 -10.140 -4.694 277 HA HIS 32 HA HIS 32 2.526 -12.597 -4.073 278 1HB HIS 32 HB2 HIS 32 3.191 -10.189 -2.332 279 2HB HIS 32 HB1 HIS 32 2.719 -11.787 -1.726 280 HD1 HIS 32 HD1 HIS 32 4.404 -13.760 -3.195 281 HD2 HIS 32 HD2 HIS 32 5.912 -10.021 -2.065 282 HE1 HIS 32 HE1 HIS 32 6.942 -13.936 -3.128 283 H TYR 33 H TYR 33 1.483 -9.211 -3.336 284 HA TYR 33 HA TYR 33 -1.343 -10.189 -3.330 285 1HB TYR 33 HB2 TYR 33 -0.092 -7.803 -1.925 286 2HB TYR 33 HB1 TYR 33 -1.797 -8.272 -1.864 287 HD1 TYR 33 HD1 TYR 33 -2.376 -10.590 -0.886 288 HD2 TYR 33 HD2 TYR 33 1.448 -8.674 -0.365 289 HE1 TYR 33 HE1 TYR 33 -1.918 -12.035 1.083 290 HE2 TYR 33 HE2 TYR 33 1.900 -10.120 1.603 291 HH TYR 33 HH TYR 33 0.999 -11.640 3.090 292 H LYS 34 H LYS 34 -2.821 -9.141 -4.623 293 HA LYS 34 HA LYS 34 -1.681 -7.363 -6.682 294 1HB LYS 34 H LYS 34 -4.184 -9.016 -6.347 295 2HB LYS 34 H LYS 34 -4.193 -7.654 -7.491 296 1HG LYS 34 H LYS 34 -3.545 -9.793 -8.593 297 2HG LYS 34 H LYS 34 -2.249 -8.580 -8.675 298 1HD LYS 34 H LYS 34 -0.994 -9.656 -6.932 299 2HD LYS 34 H LYS 34 -2.368 -10.694 -6.480 300 1HE LYS 34 H LYS 34 -1.093 -10.785 -9.240 301 2HE LYS 34 H LYS 34 -0.495 -11.768 -7.888 302 1HZ LYS 34 H LYS 34 -2.671 -12.730 -7.701 303 2HZ LYS 34 H LYS 34 -3.228 -11.823 -8.961 304 3HZ LYS 34 H LYS 34 -2.063 -12.964 -9.217 305 H PHE 35 H PHE 35 -2.175 -5.236 -6.926 306 HA PHE 35 HA PHE 35 -3.983 -3.997 -4.889 307 1HB PHE 35 HB2 PHE 35 -1.416 -2.991 -6.176 308 2HB PHE 35 HB1 PHE 35 -2.509 -1.975 -5.231 309 HD1 PHE 35 HD2 PHE 35 -0.524 -5.156 -4.966 310 HD2 PHE 35 HD1 PHE 35 -2.179 -1.753 -2.918 311 HE1 PHE 35 HE2 PHE 35 0.618 -5.853 -2.881 312 HE2 PHE 35 HE1 PHE 35 -1.032 -2.448 -0.834 313 HZ PHE 35 HZ PHE 35 0.369 -4.502 -0.810 314 H ASN 36 H ASN 36 -4.660 -1.669 -5.765 315 HA ASN 36 HA ASN 36 -5.942 -2.180 -8.372 316 1HB ASN 36 HB1 ASN 36 -6.198 0.133 -6.403 317 2HB ASN 36 HB2 ASN 36 -7.182 -0.094 -7.864 318 1HD2 ASN 36 HD22 ASN 36 -7.892 -2.324 -4.465 319 2HD2 ASN 36 HD21 ASN 36 -6.440 -1.356 -4.625 320 H ASN 37 H ASN 37 -5.654 1.125 -8.162 321 HA ASN 37 HA ASN 37 -3.698 1.183 -10.332 322 1HB ASN 37 HB1 ASN 37 -5.248 3.388 -8.913 323 2HB ASN 37 HB2 ASN 37 -4.264 3.602 -10.376 324 1HD2 ASN 37 HD21 ASN 37 -8.090 2.275 -10.649 325 2HD2 ASN 37 HD22 ASN 37 -7.373 2.871 -9.170 326 H ARG 38 H ARG 38 -2.243 0.173 -8.380 327 HA ARG 38 HA ARG 38 -0.746 2.445 -7.136 328 1HB ARG 38 H ARG 38 -0.681 -0.513 -6.403 329 2HB ARG 38 H ARG 38 0.053 0.831 -5.506 330 1HG ARG 38 H ARG 38 -2.949 0.508 -5.973 331 2HG ARG 38 H ARG 38 -2.093 0.017 -4.499 332 1HD ARG 38 H ARG 38 -2.696 2.105 -3.809 333 2HD ARG 38 H ARG 38 -1.196 2.547 -4.644 334 HE ARG 38 H ARG 38 -2.433 3.557 -6.351 335 1HH1 ARG 38 H ARG 38 -4.610 1.403 -4.573 336 2HH1 ARG 38 H ARG 38 -6.026 2.402 -4.835 337 1HH2 ARG 38 H ARG 38 -4.336 4.770 -6.849 338 2HH2 ARG 38 H ARG 38 -5.893 4.228 -6.270 339 H THR 39 H THR 39 1.707 1.839 -6.908 340 HA THR 39 HA THR 39 2.703 0.155 -9.102 341 HB THR 39 HB THR 39 3.400 3.124 -9.013 342 HG1 THR 39 HG1 THR 39 1.506 1.635 -10.451 343 1HG2 THR 39 HG23 THR 39 4.034 0.885 -10.984 344 2HG2 THR 39 HG22 THR 39 4.458 2.599 -11.204 345 3HG2 THR 39 HG21 THR 39 5.190 1.666 -9.878 346 H SER 40 H SER 40 4.137 2.896 -7.231 347 HA SER 40 HA SER 40 5.560 1.035 -5.471 348 1HB SER 40 HB1 SER 40 7.038 2.736 -7.529 349 2HB SER 40 HB2 SER 40 7.803 1.883 -6.168 350 HG SER 40 HG SER 40 6.339 0.083 -7.314 351 H VAL 41 H VAL 41 5.700 4.412 -6.771 352 HA VAL 41 HA VAL 41 6.559 5.609 -4.362 353 HB VAL 41 HB VAL 41 5.752 7.724 -5.379 354 1HG1 VAL 41 HG13 VAL 41 7.911 6.659 -6.078 355 2HG1 VAL 41 HG11 VAL 41 7.053 5.861 -7.416 356 3HG1 VAL 41 HG12 VAL 41 7.172 7.634 -7.367 357 1HG2 VAL 41 HG23 VAL 41 4.505 5.854 -7.448 358 2HG2 VAL 41 HG22 VAL 41 3.649 6.987 -6.378 359 3HG2 VAL 41 HG21 VAL 41 4.705 7.606 -7.665 360 H MET 42 H MET 42 3.291 4.755 -5.516 361 HA MET 42 HA MET 42 1.822 6.217 -3.567 362 1HB MET 42 HB2 MET 42 1.121 3.593 -4.959 363 2HB MET 42 HB1 MET 42 -0.018 4.674 -4.126 364 1HG MET 42 HG1 MET 42 -0.319 5.568 -6.184 365 2HG MET 42 HG2 MET 42 1.176 6.444 -5.820 366 1HE MET 42 HE1 MET 42 0.020 6.055 -8.737 367 2HE MET 42 HE2 MET 42 1.531 6.923 -8.375 368 3HE MET 42 HE3 MET 42 1.505 5.669 -9.637 369 H LEU 43 H LEU 43 2.739 2.728 -3.662 370 HA LEU 43 HA LEU 43 1.852 2.063 -1.073 371 1HB LEU 43 HB2 LEU 43 4.210 0.913 -2.636 372 2HB LEU 43 HB1 LEU 43 3.369 0.128 -1.283 373 HG LEU 43 HG LEU 43 1.294 0.805 -3.060 374 1HD1 LEU 43 HD12 LEU 43 3.712 -0.293 -4.570 375 2HD1 LEU 43 HD11 LEU 43 2.059 -0.197 -5.215 376 3HD1 LEU 43 HD13 LEU 43 2.948 1.291 -4.831 377 1HD2 LEU 43 HD21 LEU 43 2.838 -1.808 -2.728 378 2HD2 LEU 43 HD23 LEU 43 1.461 -1.267 -1.741 379 3HD2 LEU 43 HD22 LEU 43 1.223 -1.659 -3.459 380 H LYS 44 H LYS 44 4.945 3.437 -2.223 381 HA LYS 44 HA LYS 44 6.422 3.133 0.160 382 1HB LYS 44 H LYS 44 7.380 3.693 -2.057 383 2HB LYS 44 H LYS 44 6.613 5.293 -1.976 384 1HG LYS 44 H LYS 44 7.906 5.789 0.097 385 2HG LYS 44 H LYS 44 8.701 4.203 -0.038 386 1HD LYS 44 H LYS 44 9.698 4.813 -2.169 387 2HD LYS 44 H LYS 44 8.774 6.333 -2.222 388 1HE LYS 44 H LYS 44 10.724 5.667 0.021 389 2HE LYS 44 H LYS 44 11.219 6.514 -1.460 390 1HZ LYS 44 H LYS 44 9.590 8.197 -0.958 391 2HZ LYS 44 H LYS 44 9.162 7.422 0.433 392 3HZ LYS 44 H LYS 44 10.679 8.046 0.271 393 H ASP 45 H ASP 45 4.966 6.215 -1.040 394 HA ASP 45 HA ASP 45 5.371 7.597 1.392 395 1HB ASP 45 H ASP 45 4.924 8.660 -0.791 396 2HB ASP 45 H ASP 45 3.263 8.026 -0.764 397 H ARG 46 H ARG 46 2.560 5.701 0.230 398 HA ARG 46 HA ARG 46 0.804 6.487 2.328 399 1HB ARG 46 H ARG 46 0.209 5.472 0.085 400 2HB ARG 46 H ARG 46 0.754 3.904 0.721 401 1HG ARG 46 H ARG 46 -1.687 4.154 0.952 402 2HG ARG 46 H ARG 46 -0.921 4.069 2.547 403 1HD ARG 46 H ARG 46 -1.352 6.311 3.018 404 2HD ARG 46 H ARG 46 -1.307 6.784 1.305 405 HE ARG 46 H ARG 46 -3.586 6.526 1.240 406 1HH1 ARG 46 H ARG 46 -2.291 4.547 3.874 407 2HH1 ARG 46 H ARG 46 -3.856 3.910 4.344 408 1HH2 ARG 46 H ARG 46 -5.658 5.794 1.984 409 2HH2 ARG 46 H ARG 46 -5.744 4.522 3.188 410 H TRP 47 H TRP 47 3.509 4.229 2.323 411 HA TRP 47 HA TRP 47 2.444 2.573 4.458 412 1HB TRP 47 HB1 TRP 47 4.039 1.556 3.026 413 2HB TRP 47 HB2 TRP 47 5.182 2.893 3.217 414 HD1 TRP 47 HD1 TRP 47 7.155 2.131 4.571 415 HE1 TRP 47 HE1 TRP 47 7.625 0.691 6.645 416 HE3 TRP 47 HE3 TRP 47 2.374 0.588 5.567 417 HZ2 TRP 47 HZ2 TRP 47 6.126 -0.900 8.484 418 HZ3 TRP 47 HZ3 TRP 47 1.939 -0.885 7.513 419 HH2 TRP 47 HH2 TRP 47 3.804 -1.637 8.968 420 H ARG 48 H ARG 48 5.231 4.909 4.395 421 HA ARG 48 HA ARG 48 5.639 4.769 7.179 422 1HB ARG 48 H ARG 48 6.965 6.842 6.909 423 2HB ARG 48 H ARG 48 7.347 5.599 5.708 424 1HG ARG 48 H ARG 48 5.368 7.027 4.407 425 2HG ARG 48 H ARG 48 6.184 8.302 5.338 426 1HD ARG 48 H ARG 48 7.330 8.137 3.233 427 2HD ARG 48 H ARG 48 8.387 7.388 4.443 428 HE ARG 48 H ARG 48 6.700 5.961 2.426 429 1HH1 ARG 48 H ARG 48 9.601 5.996 4.508 430 2HH1 ARG 48 H ARG 48 9.991 4.319 4.173 431 1HH2 ARG 48 H ARG 48 7.187 3.752 2.128 432 2HH2 ARG 48 H ARG 48 8.681 3.083 2.771 433 H THR 49 H THR 49 3.532 7.042 5.315 434 HA THR 49 HA THR 49 2.914 8.717 7.516 435 HB THR 49 HB THR 49 2.401 9.203 5.112 436 HG1 THR 49 HG1 THR 49 1.365 10.276 6.883 437 1HG2 THR 49 HG21 THR 49 1.436 6.888 4.660 438 2HG2 THR 49 HG23 THR 49 -0.023 7.413 5.528 439 3HG2 THR 49 HG22 THR 49 0.478 8.249 4.041 440 H MET 50 H MET 50 1.547 5.563 6.479 441 HA MET 50 HA MET 50 -0.527 5.576 8.520 442 1HB MET 50 HB1 MET 50 0.653 3.447 6.694 443 2HB MET 50 HB2 MET 50 -0.615 3.090 7.884 444 1HG MET 50 HG2 MET 50 -0.860 5.280 5.798 445 2HG MET 50 HG1 MET 50 -1.400 3.622 5.513 446 1HE MET 50 HE3 MET 50 -3.426 2.517 6.449 447 2HE MET 50 HE2 MET 50 -2.784 2.614 8.105 448 3HE MET 50 HE1 MET 50 -4.447 3.139 7.764 449 H LYS 51 H LYS 51 2.849 4.587 8.247 450 HA LYS 51 HA LYS 51 2.851 3.006 10.693 451 1HB LYS 51 H LYS 51 4.392 2.918 8.533 452 2HB LYS 51 H LYS 51 5.312 4.177 9.386 453 1HG LYS 51 H LYS 51 5.198 2.525 11.425 454 2HG LYS 51 H LYS 51 4.802 1.304 10.191 455 1HD LYS 51 H LYS 51 6.864 1.898 8.946 456 2HD LYS 51 H LYS 51 7.259 3.116 10.182 457 1HE LYS 51 H LYS 51 7.326 1.327 11.909 458 2HE LYS 51 H LYS 51 6.964 0.115 10.659 459 1HZ LYS 51 H LYS 51 8.997 0.740 9.563 460 2HZ LYS 51 H LYS 51 9.333 1.854 10.732 461 3HZ LYS 51 H LYS 51 9.299 0.248 11.108 462 H LYS 52 H LYS 52 1.841 5.854 10.833 463 HA LYS 52 HA LYS 52 2.030 7.720 12.128 464 1HB LYS 52 H LYS 52 3.655 5.848 13.908 465 2HB LYS 52 H LYS 52 2.889 7.373 14.408 466 1HG LYS 52 H LYS 52 0.664 6.422 13.708 467 2HG LYS 52 H LYS 52 1.475 4.870 13.384 468 1HD LYS 52 H LYS 52 2.247 4.792 15.747 469 2HD LYS 52 H LYS 52 1.404 6.329 16.065 470 1HE LYS 52 H LYS 52 -0.749 5.271 15.412 471 2HE LYS 52 H LYS 52 0.097 3.735 15.121 472 1HZ LYS 52 H LYS 52 0.728 3.723 17.427 473 2HZ LYS 52 H LYS 52 -0.063 5.146 17.695 474 3HZ LYS 52 H LYS 52 -0.914 3.796 17.276 475 H LEU 53 H LEU 53 3.764 7.756 9.984 476 HA LEU 53 HA LEU 53 5.868 9.498 11.034 477 1HB LEU 53 HB2 LEU 53 6.662 6.979 10.987 478 2HB LEU 53 HB1 LEU 53 6.788 7.236 9.239 479 HG LEU 53 HG LEU 53 8.062 9.118 11.272 480 1HD1 LEU 53 HD11 LEU 53 9.286 6.695 9.879 481 2HD1 LEU 53 HD13 LEU 53 10.172 7.879 10.869 482 3HD1 LEU 53 HD12 LEU 53 8.943 6.837 11.621 483 1HD2 LEU 53 HD22 LEU 53 8.462 8.586 8.293 484 2HD2 LEU 53 HD23 LEU 53 7.878 10.086 9.053 485 3HD2 LEU 53 HD21 LEU 53 9.566 9.577 9.275 No H/Q in entry = 485 Start of MODEL 10 1 1H ARG 1 H3 ARG 1 -14.852 10.591 -4.101 2 2H ARG 1 H2 ARG 1 -14.003 9.978 -5.378 3 3H ARG 1 H1 ARG 1 -14.891 11.353 -5.566 4 HA ARG 1 HA ARG 1 -16.921 10.225 -5.301 5 1HB ARG 1 H ARG 1 -14.963 8.976 -7.257 6 2HB ARG 1 H ARG 1 -16.675 8.502 -7.210 7 1HG ARG 1 H ARG 1 -15.867 11.425 -7.415 8 2HG ARG 1 H ARG 1 -15.963 10.393 -8.859 9 1HD ARG 1 H ARG 1 -18.323 9.766 -8.124 10 2HD ARG 1 H ARG 1 -18.209 11.051 -6.906 11 HE ARG 1 H ARG 1 -18.545 11.354 -9.799 12 1HH1 ARG 1 H ARG 1 -17.516 12.924 -6.786 13 2HH1 ARG 1 H ARG 1 -17.784 14.542 -7.383 14 1HH2 ARG 1 H ARG 1 -18.895 13.497 -10.571 15 2HH2 ARG 1 H ARG 1 -18.568 14.869 -9.539 16 H LYS 2 H LYS 2 -14.417 7.628 -5.589 17 HA LYS 2 HA LYS 2 -15.590 6.311 -3.206 18 1HB LYS 2 H LYS 2 -16.768 5.397 -5.197 19 2HB LYS 2 H LYS 2 -15.204 4.937 -5.904 20 1HG LYS 2 H LYS 2 -14.747 3.431 -4.027 21 2HG LYS 2 H LYS 2 -16.223 3.964 -3.193 22 1HD LYS 2 H LYS 2 -16.373 2.808 -5.994 23 2HD LYS 2 H LYS 2 -16.261 1.726 -4.587 24 1HE LYS 2 H LYS 2 -18.348 3.937 -4.812 25 2HE LYS 2 H LYS 2 -18.629 2.282 -5.388 26 1HZ LYS 2 H LYS 2 -18.174 1.511 -3.162 27 2HZ LYS 2 H LYS 2 -17.968 3.058 -2.633 28 3HZ LYS 2 H LYS 2 -19.442 2.566 -3.182 29 H ARG 3 H ARG 3 -13.233 5.451 -5.824 30 HA ARG 3 HA ARG 3 -11.289 4.644 -3.786 31 1HB ARG 3 H ARG 3 -11.724 3.440 -6.002 32 2HB ARG 3 H ARG 3 -10.904 4.801 -6.802 33 1HG ARG 3 H ARG 3 -8.922 4.385 -5.246 34 2HG ARG 3 H ARG 3 -9.742 2.901 -4.711 35 1HD ARG 3 H ARG 3 -9.059 3.543 -7.612 36 2HD ARG 3 H ARG 3 -8.053 2.536 -6.548 37 HE ARG 3 H ARG 3 -10.592 1.408 -6.409 38 1HH1 ARG 3 H ARG 3 -8.186 2.092 -8.920 39 2HH1 ARG 3 H ARG 3 -8.761 0.843 -10.000 40 1HH2 ARG 3 H ARG 3 -11.256 -0.326 -7.781 41 2HH2 ARG 3 H ARG 3 -10.463 -0.583 -9.318 42 H GLN 4 H GLN 4 -11.537 7.054 -3.014 43 HA GLN 4 HA GLN 4 -9.720 8.852 -4.526 44 1HB GLN 4 HB2 GLN 4 -10.556 10.335 -2.389 45 2HB GLN 4 HB1 GLN 4 -11.411 10.257 -3.942 46 1HG GLN 4 HG1 GLN 4 -12.907 8.520 -3.097 47 2HG GLN 4 HG2 GLN 4 -12.008 8.436 -1.566 48 1HE2 GLN 4 HE22 GLN 4 -13.403 11.433 -0.205 49 2HE2 GLN 4 HE21 GLN 4 -12.043 10.335 -0.142 50 H ALA 5 H ALA 5 -10.193 8.554 -0.979 51 HA ALA 5 HA ALA 5 -7.274 8.547 -0.627 52 1HB ALA 5 HB1 ALA 5 -8.725 9.983 0.780 53 2HB ALA 5 HB3 ALA 5 -9.569 8.536 1.384 54 3HB ALA 5 HB2 ALA 5 -7.845 8.786 1.762 55 H TRP 6 H TRP 6 -7.977 6.289 -2.000 56 HA TRP 6 HA TRP 6 -7.880 4.007 -2.002 57 1HB TRP 6 HB2 TRP 6 -6.403 4.664 0.563 58 2HB TRP 6 HB1 TRP 6 -6.597 3.003 0.010 59 HD1 TRP 6 HD1 TRP 6 -5.756 6.007 -2.240 60 HE1 TRP 6 HE1 TRP 6 -3.496 5.603 -3.398 61 HE3 TRP 6 HE3 TRP 6 -4.450 1.627 0.062 62 HZ2 TRP 6 HZ2 TRP 6 -1.407 3.664 -3.314 63 HZ3 TRP 6 HZ3 TRP 6 -2.308 0.524 -0.519 64 HH2 TRP 6 HH2 TRP 6 -0.782 1.537 -2.195 65 H LEU 7 H LEU 7 -8.172 2.056 0.054 66 HA LEU 7 HA LEU 7 -10.629 2.732 1.494 67 1HB LEU 7 HB1 LEU 7 -11.840 0.760 0.522 68 2HB LEU 7 HB2 LEU 7 -11.595 2.098 -0.616 69 HG LEU 7 HG LEU 7 -9.690 -0.277 -0.487 70 1HD1 LEU 7 HD11 LEU 7 -12.079 -0.995 -0.920 71 2HD1 LEU 7 HD12 LEU 7 -12.083 0.072 -2.341 72 3HD1 LEU 7 HD13 LEU 7 -10.971 -1.315 -2.274 73 1HD2 LEU 7 HD21 LEU 7 -10.170 2.065 -2.329 74 2HD2 LEU 7 HD22 LEU 7 -8.634 1.329 -1.815 75 3HD2 LEU 7 HD23 LEU 7 -9.633 0.528 -3.042 76 H TRP 8 H TRP 8 -11.295 0.983 2.951 77 HA TRP 8 HA TRP 8 -9.291 0.299 4.700 78 1HB TRP 8 HB2 TRP 8 -10.905 -1.159 5.754 79 2HB TRP 8 HB1 TRP 8 -11.714 0.298 5.162 80 HD1 TRP 8 HD1 TRP 8 -13.317 0.009 3.032 81 HE1 TRP 8 HE1 TRP 8 -14.659 -1.988 2.113 82 HE3 TRP 8 HE3 TRP 8 -10.895 -3.780 5.478 83 HZ2 TRP 8 HZ2 TRP 8 -14.672 -4.827 2.404 84 HZ3 TRP 8 HZ3 TRP 8 -11.608 -6.131 5.125 85 HH2 TRP 8 HH2 TRP 8 -13.490 -6.660 3.595 86 H GLU 9 H GLU 9 -10.663 -1.916 2.172 87 HA GLU 9 HA GLU 9 -9.143 -4.159 3.009 88 1HB GLU 9 H GLU 9 -9.744 -5.122 0.815 89 2HB GLU 9 H GLU 9 -11.137 -4.374 1.625 90 1HG GLU 9 H GLU 9 -10.649 -2.278 0.243 91 2HG GLU 9 H GLU 9 -9.514 -3.267 -0.696 92 H GLU 10 H GLU 10 -8.420 -1.646 0.506 93 HA GLU 10 HA GLU 10 -6.004 -2.918 -0.365 94 1HB GLU 10 H GLU 10 -7.053 -0.073 -0.561 95 2HB GLU 10 H GLU 10 -5.489 -0.574 -1.246 96 1HG GLU 10 H GLU 10 -6.940 -2.536 -2.304 97 2HG GLU 10 H GLU 10 -8.278 -1.398 -2.053 98 H ASP 11 H ASP 11 -6.702 -0.408 2.125 99 HA ASP 11 HA ASP 11 -3.976 0.144 2.764 100 1HB ASP 11 H ASP 11 -5.891 1.549 3.463 101 2HB ASP 11 H ASP 11 -6.461 0.245 4.527 102 H LYS 12 H LYS 12 -6.363 -2.152 4.171 103 HA LYS 12 HA LYS 12 -4.659 -3.289 6.125 104 1HB LYS 12 H LYS 12 -7.097 -3.551 6.122 105 2HB LYS 12 H LYS 12 -7.023 -4.456 4.595 106 1HG LYS 12 H LYS 12 -5.254 -5.574 6.683 107 2HG LYS 12 H LYS 12 -6.969 -5.564 7.152 108 1HD LYS 12 H LYS 12 -7.559 -6.686 5.013 109 2HD LYS 12 H LYS 12 -5.836 -6.729 4.566 110 1HE LYS 12 H LYS 12 -5.328 -8.125 6.515 111 2HE LYS 12 H LYS 12 -7.011 -8.007 7.074 112 1HZ LYS 12 H LYS 12 -6.127 -9.247 4.561 113 2HZ LYS 12 H LYS 12 -6.598 -10.053 5.922 114 3HZ LYS 12 H LYS 12 -7.688 -9.140 5.085 115 H ASN 13 H ASN 13 -5.206 -4.077 2.676 116 HA ASN 13 HA ASN 13 -3.657 -6.469 2.640 117 1HB ASN 13 HB2 ASN 13 -5.315 -5.610 0.898 118 2HB ASN 13 HB1 ASN 13 -4.049 -4.491 0.359 119 1HD2 ASN 13 HD22 ASN 13 -2.775 -6.906 -1.839 120 2HD2 ASN 13 HD21 ASN 13 -3.227 -5.245 -1.528 121 H LEU 14 H LEU 14 -2.838 -3.044 1.872 122 HA LEU 14 HA LEU 14 -0.151 -3.471 1.143 123 1HB LEU 14 HB2 LEU 14 -1.472 -1.383 0.782 124 2HB LEU 14 HB1 LEU 14 -1.372 -1.037 2.521 125 HG LEU 14 HG LEU 14 1.225 -1.625 1.143 126 1HD1 LEU 14 HD11 LEU 14 0.032 -0.233 -0.533 127 2HD1 LEU 14 HD12 LEU 14 -0.282 0.991 0.721 128 3HD1 LEU 14 HD13 LEU 14 1.387 0.646 0.211 129 1HD2 LEU 14 HD21 LEU 14 0.236 0.436 3.167 130 2HD2 LEU 14 HD22 LEU 14 1.237 -0.994 3.496 131 3HD2 LEU 14 HD23 LEU 14 1.907 0.357 2.564 132 H ARG 15 H ARG 15 -1.411 -2.329 4.359 133 HA ARG 15 HA ARG 15 1.139 -2.368 5.576 134 1HB ARG 15 H ARG 15 -0.024 -2.106 7.673 135 2HB ARG 15 H ARG 15 -0.870 -1.162 6.432 136 1HG ARG 15 H ARG 15 -2.364 -3.284 6.166 137 2HG ARG 15 H ARG 15 -1.700 -3.763 7.744 138 1HD ARG 15 H ARG 15 -2.348 -1.358 8.502 139 2HD ARG 15 H ARG 15 -3.337 -1.312 7.029 140 HE ARG 15 H ARG 15 -3.750 -3.646 8.773 141 1HH1 ARG 15 H ARG 15 -4.912 -0.468 7.654 142 2HH1 ARG 15 H ARG 15 -6.413 -0.574 8.549 143 1HH2 ARG 15 H ARG 15 -5.778 -3.786 9.861 144 2HH2 ARG 15 H ARG 15 -6.966 -2.519 9.669 145 H SER 16 H SER 16 -1.318 -4.967 5.257 146 HA SER 16 HA SER 16 -0.083 -6.818 7.031 147 1HB SER 16 HB2 SER 16 -2.321 -7.217 6.218 148 2HB SER 16 HB1 SER 16 -1.775 -7.188 4.526 149 HG SER 16 HG SER 16 -2.067 -9.321 5.477 150 H GLY 17 H GLY 17 0.324 -6.275 3.488 151 1HA GLY 17 HA2 GLY 17 2.229 -8.357 3.092 152 2HA GLY 17 HA1 GLY 17 1.955 -6.960 2.032 153 H VAL 18 H VAL 18 2.731 -4.777 3.346 154 HA VAL 18 HA VAL 18 5.538 -4.870 3.185 155 HB VAL 18 HB VAL 18 3.759 -2.852 4.621 156 1HG1 VAL 18 HG13 VAL 18 6.664 -2.795 3.701 157 2HG1 VAL 18 HG11 VAL 18 5.733 -1.325 4.065 158 3HG1 VAL 18 HG12 VAL 18 6.037 -2.521 5.343 159 1HG2 VAL 18 HG21 VAL 18 3.252 -3.245 2.177 160 2HG2 VAL 18 HG22 VAL 18 3.863 -1.613 2.513 161 3HG2 VAL 18 HG23 VAL 18 4.939 -2.838 1.803 162 H ARG 19 H ARG 19 3.399 -5.278 6.047 163 HA ARG 19 HA ARG 19 5.436 -5.024 8.014 164 1HB ARG 19 H ARG 19 2.985 -5.022 8.458 165 2HB ARG 19 H ARG 19 2.933 -6.762 8.087 166 1HG ARG 19 H ARG 19 4.464 -7.236 9.943 167 2HG ARG 19 H ARG 19 4.675 -5.497 10.253 168 1HD ARG 19 H ARG 19 2.193 -5.343 10.679 169 2HD ARG 19 H ARG 19 2.102 -7.111 10.544 170 HE ARG 19 H ARG 19 3.096 -5.555 12.795 171 1HH1 ARG 19 H ARG 19 3.355 -8.656 11.093 172 2HH1 ARG 19 H ARG 19 3.870 -9.541 12.508 173 1HH2 ARG 19 H ARG 19 3.804 -6.728 14.649 174 2HH2 ARG 19 H ARG 19 4.149 -8.438 14.530 175 H LYS 20 H LYS 20 4.584 -7.709 5.836 176 HA LYS 20 HA LYS 20 6.331 -9.568 7.346 177 1HB LYS 20 H LYS 20 4.415 -9.881 5.009 178 2HB LYS 20 H LYS 20 5.492 -11.188 5.559 179 1HG LYS 20 H LYS 20 4.534 -10.931 7.873 180 2HG LYS 20 H LYS 20 3.366 -9.762 7.222 181 1HD LYS 20 H LYS 20 3.671 -12.562 6.059 182 2HD LYS 20 H LYS 20 2.599 -12.235 7.438 183 1HE LYS 20 H LYS 20 2.438 -10.811 4.743 184 2HE LYS 20 H LYS 20 1.411 -12.173 5.233 185 1HZ LYS 20 H LYS 20 0.736 -10.780 7.133 186 2HZ LYS 20 H LYS 20 1.526 -9.503 6.443 187 3HZ LYS 20 H LYS 20 0.252 -10.206 5.664 188 H TYR 21 H TYR 21 5.966 -8.417 3.928 189 HA TYR 21 HA TYR 21 8.448 -9.528 3.058 190 1HB TYR 21 HB2 TYR 21 6.568 -7.405 2.008 191 2HB TYR 21 HB1 TYR 21 8.101 -7.746 1.192 192 HD1 TYR 21 HD2 TYR 21 4.860 -9.281 2.259 193 HD2 TYR 21 HD1 TYR 21 8.365 -9.649 -0.217 194 HE1 TYR 21 HE2 TYR 21 3.817 -11.190 1.067 195 HE2 TYR 21 HE1 TYR 21 7.314 -11.561 -1.407 196 HH TYR 21 HH TYR 21 4.060 -12.778 -0.563 197 H GLY 22 H GLY 22 7.577 -6.397 4.524 198 1HA GLY 22 HA1 GLY 22 9.081 -5.012 5.697 199 2HA GLY 22 HA2 GLY 22 10.453 -5.803 4.889 200 H GLU 23 H GLU 23 9.720 -2.882 5.172 201 HA GLU 23 HA GLU 23 8.795 -1.896 2.661 202 1HB GLU 23 H GLU 23 10.082 0.223 3.428 203 2HB GLU 23 H GLU 23 8.721 -0.341 4.417 204 1HG GLU 23 H GLU 23 11.416 -1.447 5.111 205 2HG GLU 23 H GLU 23 11.149 0.274 5.453 206 H GLY 24 H GLY 24 9.797 -1.396 0.788 207 1HA GLY 24 HA1 GLY 24 12.104 -0.811 -0.186 208 2HA GLY 24 HA2 GLY 24 12.584 -2.400 0.458 209 H ASN 25 H ASN 25 10.423 -3.988 -0.001 210 HA ASN 25 HA ASN 25 10.464 -4.299 -2.913 211 1HB ASN 25 HB2 ASN 25 9.164 -5.859 -0.639 212 2HB ASN 25 HB1 ASN 25 9.048 -6.319 -2.351 213 1HD2 ASN 25 HD21 ASN 25 12.546 -7.235 -2.639 214 2HD2 ASN 25 HD22 ASN 25 11.245 -6.476 -3.530 215 H TRP 26 H TRP 26 9.082 -3.170 -4.165 216 HA TRP 26 HA TRP 26 6.330 -2.664 -3.115 217 1HB TRP 26 HB2 TRP 26 7.924 -0.799 -4.898 218 2HB TRP 26 HB1 TRP 26 6.358 -0.492 -4.135 219 HD1 TRP 26 HD1 TRP 26 9.874 0.235 -3.726 220 HE1 TRP 26 HE1 TRP 26 10.468 1.082 -1.367 221 HE3 TRP 26 HE3 TRP 26 5.563 -1.067 -1.301 222 HZ2 TRP 26 HZ2 TRP 26 9.237 1.170 1.209 223 HZ3 TRP 26 HZ3 TRP 26 5.310 -0.571 1.114 224 HH2 TRP 26 HH2 TRP 26 7.138 0.534 2.374 225 H SER 27 H SER 27 8.279 -2.468 -6.165 226 HA SER 27 HA SER 27 6.142 -3.075 -7.913 227 1HB SER 27 HB1 SER 27 9.108 -3.728 -8.212 228 2HB SER 27 HB2 SER 27 7.915 -3.620 -9.530 229 HG SER 27 HG SER 27 7.651 -1.447 -9.066 230 H LYS 28 H LYS 28 8.459 -5.161 -6.149 231 HA LYS 28 HA LYS 28 7.536 -7.624 -7.300 232 1HB LYS 28 H LYS 28 9.765 -7.109 -6.101 233 2HB LYS 28 H LYS 28 8.853 -7.286 -4.584 234 1HG LYS 28 H LYS 28 8.158 -9.567 -5.271 235 2HG LYS 28 H LYS 28 9.043 -9.379 -6.800 236 1HD LYS 28 H LYS 28 10.632 -10.511 -5.518 237 2HD LYS 28 H LYS 28 11.088 -8.821 -5.204 238 1HE LYS 28 H LYS 28 11.035 -9.815 -3.053 239 2HE LYS 28 H LYS 28 9.482 -8.963 -3.169 240 1HZ LYS 28 H LYS 28 8.469 -11.051 -3.794 241 2HZ LYS 28 H LYS 28 9.919 -11.828 -3.653 242 3HZ LYS 28 H LYS 28 9.209 -11.167 -2.321 243 H ILE 29 H ILE 29 6.703 -5.745 -4.344 244 HA ILE 29 HA ILE 29 5.012 -7.709 -3.184 245 HB ILE 29 HB ILE 29 5.864 -5.063 -2.585 246 1HG1 ILE 29 HG11 ILE 29 4.091 -7.055 -1.100 247 2HG1 ILE 29 HG12 ILE 29 5.867 -6.971 -1.056 248 1HG2 ILE 29 HG21 ILE 29 3.693 -4.269 -3.583 249 2HG2 ILE 29 HG23 ILE 29 2.823 -5.294 -2.416 250 3HG2 ILE 29 HG22 ILE 29 3.824 -3.940 -1.848 251 1HD1 ILE 29 HD13 ILE 29 5.589 -4.576 -0.168 252 2HD1 ILE 29 HD12 ILE 29 3.870 -4.970 0.066 253 3HD1 ILE 29 HD11 ILE 29 5.119 -5.885 0.937 254 H LEU 30 H LEU 30 4.464 -5.290 -5.744 255 HA LEU 30 HA LEU 30 1.631 -5.396 -5.786 256 1HB LEU 30 HB1 LEU 30 3.130 -3.751 -6.976 257 2HB LEU 30 HB2 LEU 30 3.510 -5.024 -8.156 258 HG LEU 30 HG LEU 30 0.603 -4.675 -7.667 259 1HD1 LEU 30 HD13 LEU 30 2.232 -2.441 -8.959 260 2HD1 LEU 30 HD11 LEU 30 0.457 -2.575 -8.989 261 3HD1 LEU 30 HD12 LEU 30 1.304 -2.320 -7.445 262 1HD2 LEU 30 HD22 LEU 30 1.585 -6.079 -9.478 263 2HD2 LEU 30 HD23 LEU 30 0.565 -4.779 -10.134 264 3HD2 LEU 30 HD21 LEU 30 2.337 -4.629 -10.181 265 H LEU 31 H LEU 31 4.108 -7.616 -7.070 266 HA LEU 31 HA LEU 31 2.322 -9.100 -8.776 267 1HB LEU 31 HB2 LEU 31 4.942 -9.948 -7.463 268 2HB LEU 31 HB1 LEU 31 4.143 -10.759 -8.819 269 HG LEU 31 HG LEU 31 5.243 -7.909 -8.827 270 1HD1 LEU 31 HD12 LEU 31 6.961 -9.706 -8.888 271 2HD1 LEU 31 HD11 LEU 31 6.138 -10.430 -10.290 272 3HD1 LEU 31 HD13 LEU 31 6.880 -8.818 -10.428 273 1HD2 LEU 31 HD21 LEU 31 3.720 -9.539 -10.894 274 2HD2 LEU 31 HD23 LEU 31 3.352 -7.906 -10.291 275 3HD2 LEU 31 HD22 LEU 31 4.757 -8.167 -11.347 276 H HIS 32 H HIS 32 3.681 -9.746 -5.486 277 HA HIS 32 HA HIS 32 2.119 -12.130 -5.104 278 1HB HIS 32 HB2 HIS 32 3.344 -10.318 -2.990 279 2HB HIS 32 HB1 HIS 32 2.933 -12.036 -2.830 280 HD1 HIS 32 HD1 HIS 32 4.344 -13.662 -4.644 281 HD2 HIS 32 HD2 HIS 32 5.961 -9.931 -3.673 282 HE1 HIS 32 HE1 HIS 32 6.817 -13.709 -5.248 283 H TYR 33 H TYR 33 1.890 -8.900 -3.523 284 HA TYR 33 HA TYR 33 -0.899 -9.443 -2.755 285 1HB TYR 33 HB2 TYR 33 1.223 -7.415 -2.095 286 2HB TYR 33 HB1 TYR 33 -0.473 -6.961 -1.879 287 HD1 TYR 33 HD2 TYR 33 1.497 -10.131 -1.202 288 HD2 TYR 33 HD1 TYR 33 -1.095 -7.062 0.334 289 HE1 TYR 33 HE2 TYR 33 1.425 -11.287 0.997 290 HE2 TYR 33 HE1 TYR 33 -1.173 -8.223 2.523 291 HH TYR 33 HH TYR 33 -0.529 -10.037 3.731 292 H LYS 34 H LYS 34 -2.223 -9.316 -4.505 293 HA LYS 34 HA LYS 34 -1.830 -7.708 -6.781 294 1HB LYS 34 H LYS 34 -4.145 -8.269 -7.325 295 2HB LYS 34 H LYS 34 -3.327 -9.691 -6.637 296 1HG LYS 34 H LYS 34 -4.338 -9.171 -4.412 297 2HG LYS 34 H LYS 34 -5.183 -7.783 -5.136 298 1HD LYS 34 H LYS 34 -6.379 -9.286 -6.682 299 2HD LYS 34 H LYS 34 -5.494 -10.685 -6.029 300 1HE LYS 34 H LYS 34 -7.707 -10.577 -4.995 301 2HE LYS 34 H LYS 34 -6.467 -10.218 -3.774 302 1HZ LYS 34 H LYS 34 -8.033 -8.202 -5.236 303 2HZ LYS 34 H LYS 34 -8.335 -8.707 -3.694 304 3HZ LYS 34 H LYS 34 -6.935 -7.906 -4.041 305 H PHE 35 H PHE 35 -2.883 -5.842 -7.547 306 HA PHE 35 HA PHE 35 -4.421 -4.142 -5.723 307 1HB PHE 35 HB2 PHE 35 -1.566 -3.579 -6.552 308 2HB PHE 35 HB1 PHE 35 -2.702 -2.242 -6.345 309 HD1 PHE 35 HD1 PHE 35 -4.104 -2.316 -4.061 310 HD2 PHE 35 HD2 PHE 35 -0.289 -4.214 -4.704 311 HE1 PHE 35 HE1 PHE 35 -3.690 -2.321 -1.611 312 HE2 PHE 35 HE2 PHE 35 0.119 -4.220 -2.255 313 HZ PHE 35 HZ PHE 35 -1.580 -3.273 -0.711 314 H ASN 36 H ASN 36 -4.733 -1.900 -7.051 315 HA ASN 36 HA ASN 36 -5.668 -2.765 -9.707 316 1HB ASN 36 HB2 ASN 36 -6.896 -0.641 -9.724 317 2HB ASN 36 HB1 ASN 36 -7.219 -1.555 -8.241 318 1HD2 ASN 36 HD22 ASN 36 -5.745 0.819 -6.040 319 2HD2 ASN 36 HD21 ASN 36 -6.300 -0.830 -6.214 320 H ASN 37 H ASN 37 -5.308 0.395 -10.270 321 HA ASN 37 HA ASN 37 -2.907 -0.015 -11.871 322 1HB ASN 37 HB1 ASN 37 -4.697 2.411 -11.423 323 2HB ASN 37 HB2 ASN 37 -3.387 2.318 -12.619 324 1HD2 ASN 37 HD21 ASN 37 -6.560 1.542 -14.408 325 2HD2 ASN 37 HD22 ASN 37 -5.875 2.910 -13.556 326 H ARG 38 H ARG 38 -1.877 -0.466 -9.513 327 HA ARG 38 HA ARG 38 -0.794 2.086 -8.423 328 1HB ARG 38 H ARG 38 -0.743 -0.787 -7.408 329 2HB ARG 38 H ARG 38 0.042 0.583 -6.590 330 1HG ARG 38 H ARG 38 -2.895 0.741 -7.320 331 2HG ARG 38 H ARG 38 -2.384 -0.140 -5.865 332 1HD ARG 38 H ARG 38 -1.460 1.793 -4.862 333 2HD ARG 38 H ARG 38 -1.394 2.672 -6.401 334 HE ARG 38 H ARG 38 -3.517 3.438 -5.994 335 1HH1 ARG 38 H ARG 38 -2.999 0.498 -4.072 336 2HH1 ARG 38 H ARG 38 -4.648 0.447 -3.478 337 1HH2 ARG 38 H ARG 38 -5.619 3.450 -5.031 338 2HH2 ARG 38 H ARG 38 -6.121 2.116 -4.003 339 H THR 39 H THR 39 1.616 2.012 -7.859 340 HA THR 39 HA THR 39 3.108 0.552 -10.006 341 HB THR 39 HB THR 39 4.639 2.591 -9.976 342 HG1 THR 39 HG1 THR 39 2.398 3.871 -8.812 343 1HG2 THR 39 HG21 THR 39 2.971 2.166 -11.768 344 2HG2 THR 39 HG22 THR 39 1.736 3.027 -10.817 345 3HG2 THR 39 HG23 THR 39 3.152 3.906 -11.442 346 H SER 40 H SER 40 4.580 2.688 -7.635 347 HA SER 40 HA SER 40 5.331 0.511 -5.822 348 1HB SER 40 HB2 SER 40 7.808 1.014 -6.245 349 2HB SER 40 HB1 SER 40 6.976 0.072 -7.504 350 HG SER 40 HG SER 40 8.195 1.781 -8.397 351 H VAL 41 H VAL 41 6.271 3.794 -6.971 352 HA VAL 41 HA VAL 41 7.090 4.841 -4.493 353 HB VAL 41 HB VAL 41 5.749 6.223 -6.863 354 1HG1 VAL 41 HG13 VAL 41 7.358 7.313 -4.512 355 2HG1 VAL 41 HG12 VAL 41 6.962 8.247 -5.973 356 3HG1 VAL 41 HG11 VAL 41 5.660 7.677 -4.907 357 1HG2 VAL 41 HG22 VAL 41 8.674 5.751 -6.122 358 2HG2 VAL 41 HG21 VAL 41 7.802 5.023 -7.492 359 3HG2 VAL 41 HG23 VAL 41 8.117 6.773 -7.468 360 H MET 42 H MET 42 3.847 4.541 -5.960 361 HA MET 42 HA MET 42 2.330 6.105 -4.221 362 1HB MET 42 HB2 MET 42 1.756 3.497 -5.667 363 2HB MET 42 HB1 MET 42 0.508 4.362 -4.741 364 1HG MET 42 HG2 MET 42 2.167 5.643 -6.944 365 2HG MET 42 HG1 MET 42 0.589 4.893 -7.220 366 1HE MET 42 HE1 MET 42 -0.258 7.090 -8.359 367 2HE MET 42 HE2 MET 42 -0.168 8.702 -7.612 368 3HE MET 42 HE3 MET 42 1.325 7.852 -8.074 369 H LEU 43 H LEU 43 3.382 2.682 -3.832 370 HA LEU 43 HA LEU 43 2.071 2.370 -1.271 371 1HB LEU 43 HB2 LEU 43 4.202 0.773 -2.759 372 2HB LEU 43 HB1 LEU 43 3.541 0.291 -1.185 373 HG LEU 43 HG LEU 43 1.205 0.527 -2.345 374 1HD1 LEU 43 HD12 LEU 43 3.122 0.457 -4.700 375 2HD1 LEU 43 HD13 LEU 43 1.469 -0.184 -4.826 376 3HD1 LEU 43 HD11 LEU 43 1.726 1.528 -4.437 377 1HD2 LEU 43 HD23 LEU 43 2.215 -1.599 -1.582 378 2HD2 LEU 43 HD21 LEU 43 1.365 -1.816 -3.131 379 3HD2 LEU 43 HD22 LEU 43 3.141 -1.703 -3.099 380 H LYS 44 H LYS 44 5.444 2.912 -2.370 381 HA LYS 44 HA LYS 44 6.772 2.733 0.066 382 1HB LYS 44 H LYS 44 7.806 2.950 -2.194 383 2HB LYS 44 H LYS 44 7.341 4.665 -2.218 384 1HG LYS 44 H LYS 44 8.696 5.057 -0.171 385 2HG LYS 44 H LYS 44 9.171 3.343 -0.165 386 1HD LYS 44 H LYS 44 10.199 3.625 -2.408 387 2HD LYS 44 H LYS 44 9.725 5.342 -2.404 388 1HE LYS 44 H LYS 44 11.083 5.687 -0.337 389 2HE LYS 44 H LYS 44 11.595 3.986 -0.409 390 1HZ LYS 44 H LYS 44 12.572 4.443 -2.546 391 2HZ LYS 44 H LYS 44 12.111 6.024 -2.462 392 3HZ LYS 44 H LYS 44 13.213 5.429 -1.388 393 H ASP 45 H ASP 45 5.498 5.776 -1.437 394 HA ASP 45 HA ASP 45 6.267 7.408 0.748 395 1HB ASP 45 H ASP 45 4.469 7.682 -1.629 396 2HB ASP 45 H ASP 45 4.290 8.865 -0.316 397 H ARG 46 H ARG 46 3.090 5.869 -0.007 398 HA ARG 46 HA ARG 46 1.699 7.038 2.166 399 1HB ARG 46 H ARG 46 1.327 4.538 0.509 400 2HB ARG 46 H ARG 46 0.248 4.892 1.881 401 1HG ARG 46 H ARG 46 -0.302 7.087 0.930 402 2HG ARG 46 H ARG 46 0.833 6.817 -0.414 403 1HD ARG 46 H ARG 46 -0.485 4.988 -1.263 404 2HD ARG 46 H ARG 46 -1.527 4.986 0.174 405 HE ARG 46 H ARG 46 -1.654 6.807 -2.124 406 1HH1 ARG 46 H ARG 46 -2.548 6.276 1.270 407 2HH1 ARG 46 H ARG 46 -3.923 7.351 1.214 408 1HH2 ARG 46 H ARG 46 -3.435 8.273 -2.164 409 2HH2 ARG 46 H ARG 46 -4.412 8.510 -0.734 410 H TRP 47 H TRP 47 3.771 4.108 2.008 411 HA TRP 47 HA TRP 47 3.028 3.081 4.560 412 1HB TRP 47 HB1 TRP 47 4.203 1.742 2.908 413 2HB TRP 47 HB2 TRP 47 5.601 2.824 2.975 414 HD1 TRP 47 HD1 TRP 47 7.469 2.028 4.459 415 HE1 TRP 47 HE1 TRP 47 7.788 0.429 6.459 416 HE3 TRP 47 HE3 TRP 47 2.580 0.709 5.218 417 HZ2 TRP 47 HZ2 TRP 47 6.144 -1.179 8.142 418 HZ3 TRP 47 HZ3 TRP 47 1.999 -0.856 7.052 419 HH2 TRP 47 HH2 TRP 47 3.768 -1.808 8.508 420 H ARG 48 H ARG 48 5.206 5.742 3.635 421 HA ARG 48 HA ARG 48 6.919 5.853 5.838 422 1HB ARG 48 H ARG 48 5.563 8.136 4.343 423 2HB ARG 48 H ARG 48 6.911 8.344 5.478 424 1HG ARG 48 H ARG 48 8.411 7.086 4.094 425 2HG ARG 48 H ARG 48 7.082 6.470 3.089 426 1HD ARG 48 H ARG 48 8.190 8.233 1.853 427 2HD ARG 48 H ARG 48 6.600 8.834 2.369 428 HE ARG 48 H ARG 48 8.542 9.530 4.337 429 1HH1 ARG 48 H ARG 48 7.604 10.280 0.991 430 2HH1 ARG 48 H ARG 48 8.178 11.936 1.071 431 1HH2 ARG 48 H ARG 48 9.299 11.711 4.416 432 2HH2 ARG 48 H ARG 48 9.153 12.745 3.014 433 H THR 49 H THR 49 3.712 7.494 5.554 434 HA THR 49 HA THR 49 3.714 8.071 8.419 435 HB THR 49 HB THR 49 2.833 9.690 6.754 436 HG1 THR 49 HG1 THR 49 0.887 10.063 7.904 437 1HG2 THR 49 HG23 THR 49 1.848 7.971 5.187 438 2HG2 THR 49 HG22 THR 49 0.551 7.698 6.374 439 3HG2 THR 49 HG21 THR 49 0.729 9.287 5.602 440 H MET 50 H MET 50 2.082 5.807 6.154 441 HA MET 50 HA MET 50 0.393 4.738 8.296 442 1HB MET 50 HB2 MET 50 -0.130 4.993 5.737 443 2HB MET 50 HB1 MET 50 0.792 3.485 5.568 444 1HG MET 50 HG1 MET 50 -1.533 2.898 5.815 445 2HG MET 50 HG2 MET 50 -0.703 2.453 7.311 446 1HE MET 50 HE2 MET 50 -3.229 4.728 5.515 447 2HE MET 50 HE3 MET 50 -3.701 5.926 6.741 448 3HE MET 50 HE1 MET 50 -2.083 5.995 6.010 449 H LYS 51 H LYS 51 3.177 4.598 8.920 450 HA LYS 51 HA LYS 51 4.028 1.836 8.439 451 1HB LYS 51 H LYS 51 5.665 3.670 8.390 452 2HB LYS 51 H LYS 51 5.243 4.101 10.062 453 1HG LYS 51 H LYS 51 6.189 2.105 10.932 454 2HG LYS 51 H LYS 51 6.167 1.299 9.345 455 1HD LYS 51 H LYS 51 8.464 1.994 9.986 456 2HD LYS 51 H LYS 51 7.916 2.822 8.512 457 1HE LYS 51 H LYS 51 7.385 4.166 11.155 458 2HE LYS 51 H LYS 51 9.059 4.143 10.563 459 1HZ LYS 51 H LYS 51 8.276 5.129 8.522 460 2HZ LYS 51 H LYS 51 6.732 5.194 9.099 461 3HZ LYS 51 H LYS 51 7.921 6.082 9.817 462 H LYS 52 H LYS 52 2.944 3.925 11.071 463 HA LYS 52 HA LYS 52 1.669 1.822 12.533 464 1HB LYS 52 H LYS 52 4.040 1.226 13.070 465 2HB LYS 52 H LYS 52 4.301 2.881 13.664 466 1HG LYS 52 H LYS 52 2.429 2.495 15.331 467 2HG LYS 52 H LYS 52 2.356 0.811 14.782 468 1HD LYS 52 H LYS 52 3.741 0.803 16.737 469 2HD LYS 52 H LYS 52 4.845 0.637 15.354 470 1HE LYS 52 H LYS 52 5.682 2.272 17.038 471 2HE LYS 52 H LYS 52 5.396 3.034 15.464 472 1HZ LYS 52 H LYS 52 3.444 3.084 17.654 473 2HZ LYS 52 H LYS 52 4.566 4.266 17.414 474 3HZ LYS 52 H LYS 52 3.419 3.978 16.263 475 H LEU 53 H LEU 53 3.237 4.983 12.372 476 HA LEU 53 HA LEU 53 2.524 7.075 12.951 477 1HB LEU 53 HB1 LEU 53 0.215 6.076 12.271 478 2HB LEU 53 HB2 LEU 53 -0.088 5.965 14.019 479 HG LEU 53 HG LEU 53 1.019 8.582 13.169 480 1HD1 LEU 53 HD13 LEU 53 -1.742 7.694 12.223 481 2HD1 LEU 53 HD12 LEU 53 -1.115 9.359 12.165 482 3HD1 LEU 53 HD11 LEU 53 -0.355 8.088 11.178 483 1HD2 LEU 53 HD21 LEU 53 0.108 8.078 15.435 484 2HD2 LEU 53 HD23 LEU 53 -0.783 9.395 14.639 485 3HD2 LEU 53 HD22 LEU 53 -1.485 7.760 14.709 No H/Q in entry = 485 Start of MODEL 11 1 1H ARG 1 H3 ARG 1 -14.648 3.103 -8.286 2 2H ARG 1 H1 ARG 1 -15.993 2.409 -7.620 3 3H ARG 1 H2 ARG 1 -14.495 1.983 -7.080 4 HA ARG 1 HA ARG 1 -15.307 0.245 -8.432 5 1HB ARG 1 H ARG 1 -16.890 1.773 -9.684 6 2HB ARG 1 H ARG 1 -15.501 2.345 -10.635 7 1HG ARG 1 H ARG 1 -15.111 0.136 -11.536 8 2HG ARG 1 H ARG 1 -16.277 -0.597 -10.413 9 1HD ARG 1 H ARG 1 -17.035 1.528 -12.460 10 2HD ARG 1 H ARG 1 -17.113 -0.210 -12.805 11 HE ARG 1 H ARG 1 -18.932 1.353 -11.128 12 1HH1 ARG 1 H ARG 1 -17.633 -1.881 -11.792 13 2HH1 ARG 1 H ARG 1 -19.053 -2.718 -11.212 14 1HH2 ARG 1 H ARG 1 -20.807 0.237 -10.377 15 2HH2 ARG 1 H ARG 1 -20.851 -1.511 -10.382 16 H LYS 2 H LYS 2 -13.865 -0.951 -9.866 17 HA LYS 2 HA LYS 2 -11.743 -1.583 -10.475 18 1HB LYS 2 H LYS 2 -11.978 1.215 -11.635 19 2HB LYS 2 H LYS 2 -10.544 0.209 -11.922 20 1HG LYS 2 H LYS 2 -13.299 -0.937 -12.423 21 2HG LYS 2 H LYS 2 -12.545 0.131 -13.627 22 1HD LYS 2 H LYS 2 -10.502 -1.363 -13.579 23 2HD LYS 2 H LYS 2 -11.400 -2.472 -12.516 24 1HE LYS 2 H LYS 2 -11.673 -3.332 -14.731 25 2HE LYS 2 H LYS 2 -13.211 -2.540 -14.326 26 1HZ LYS 2 H LYS 2 -11.044 -1.351 -15.918 27 2HZ LYS 2 H LYS 2 -12.447 -1.974 -16.520 28 3HZ LYS 2 H LYS 2 -12.484 -0.632 -15.563 29 H ARG 3 H ARG 3 -11.963 -0.624 -7.755 30 HA ARG 3 HA ARG 3 -10.694 0.153 -5.992 31 1HB ARG 3 H ARG 3 -8.582 -1.080 -7.797 32 2HB ARG 3 H ARG 3 -8.317 -0.667 -6.089 33 1HG ARG 3 H ARG 3 -10.030 -2.236 -5.380 34 2HG ARG 3 H ARG 3 -10.530 -2.527 -7.061 35 1HD ARG 3 H ARG 3 -9.141 -4.375 -6.412 36 2HD ARG 3 H ARG 3 -8.196 -3.379 -7.529 37 HE ARG 3 H ARG 3 -7.035 -2.408 -5.546 38 1HH1 ARG 3 H ARG 3 -8.717 -5.536 -5.131 39 2HH1 ARG 3 H ARG 3 -7.752 -6.000 -3.749 40 1HH2 ARG 3 H ARG 3 -5.730 -3.104 -3.823 41 2HH2 ARG 3 H ARG 3 -6.080 -4.611 -2.978 42 H GLN 4 H GLN 4 -11.343 2.316 -7.536 43 HA GLN 4 HA GLN 4 -9.255 3.848 -8.633 44 1HB GLN 4 HB1 GLN 4 -11.942 4.415 -7.401 45 2HB GLN 4 HB2 GLN 4 -10.854 5.787 -7.714 46 1HG GLN 4 HG2 GLN 4 -10.830 5.425 -10.027 47 2HG GLN 4 HG1 GLN 4 -11.307 3.724 -9.873 48 1HE2 GLN 4 HE21 GLN 4 -14.122 6.393 -10.737 49 2HE2 GLN 4 HE22 GLN 4 -12.408 6.541 -11.050 50 H ALA 5 H ALA 5 -10.735 4.505 -5.406 51 HA ALA 5 HA ALA 5 -8.263 5.823 -4.547 52 1HB ALA 5 HB3 ALA 5 -10.509 6.759 -4.039 53 2HB ALA 5 HB2 ALA 5 -10.886 5.306 -3.082 54 3HB ALA 5 HB1 ALA 5 -9.585 6.404 -2.559 55 H TRP 6 H TRP 6 -7.713 5.322 -2.087 56 HA TRP 6 HA TRP 6 -6.769 2.572 -2.039 57 1HB TRP 6 HB2 TRP 6 -6.588 4.897 -0.089 58 2HB TRP 6 HB1 TRP 6 -5.835 3.318 0.186 59 HD1 TRP 6 HD1 TRP 6 -5.544 6.426 -1.988 60 HE1 TRP 6 HE1 TRP 6 -3.227 6.520 -3.109 61 HE3 TRP 6 HE3 TRP 6 -3.800 1.816 -0.611 62 HZ2 TRP 6 HZ2 TRP 6 -0.951 4.818 -3.371 63 HZ3 TRP 6 HZ3 TRP 6 -1.542 1.087 -1.329 64 HH2 TRP 6 HH2 TRP 6 -0.121 2.579 -2.712 65 H LEU 7 H LEU 7 -8.703 1.330 -1.973 66 HA LEU 7 HA LEU 7 -10.753 1.709 -0.011 67 1HB LEU 7 HB1 LEU 7 -9.921 -0.835 -1.476 68 2HB LEU 7 HB2 LEU 7 -11.483 -0.537 -0.686 69 HG LEU 7 HG LEU 7 -10.362 0.932 -3.116 70 1HD1 LEU 7 HD12 LEU 7 -11.285 -1.332 -3.542 71 2HD1 LEU 7 HD11 LEU 7 -12.798 -0.864 -2.731 72 3HD1 LEU 7 HD13 LEU 7 -12.318 -0.067 -4.248 73 1HD2 LEU 7 HD23 LEU 7 -12.846 1.412 -1.421 74 2HD2 LEU 7 HD21 LEU 7 -11.567 2.577 -1.843 75 3HD2 LEU 7 HD22 LEU 7 -12.692 2.003 -3.092 76 H TRP 8 H TRP 8 -11.269 -0.141 1.607 77 HA TRP 8 HA TRP 8 -9.337 -0.114 3.645 78 1HB TRP 8 HB1 TRP 8 -10.843 -1.349 4.855 79 2HB TRP 8 HB2 TRP 8 -11.913 -0.712 3.600 80 HD1 TRP 8 HD1 TRP 8 -10.746 -3.862 5.139 81 HE1 TRP 8 HE1 TRP 8 -11.700 -5.937 3.950 82 HE3 TRP 8 HE3 TRP 8 -12.626 -1.598 0.953 83 HZ2 TRP 8 HZ2 TRP 8 -13.078 -6.523 1.521 84 HZ3 TRP 8 HZ3 TRP 8 -13.752 -2.958 -0.787 85 HH2 TRP 8 HH2 TRP 8 -13.982 -5.414 -0.511 86 H GLU 9 H GLU 9 -9.917 -2.479 1.022 87 HA GLU 9 HA GLU 9 -8.149 -4.486 2.029 88 1HB GLU 9 H GLU 9 -9.987 -4.683 0.236 89 2HB GLU 9 H GLU 9 -8.806 -3.987 -0.900 90 1HG GLU 9 H GLU 9 -7.740 -6.205 0.766 91 2HG GLU 9 H GLU 9 -9.066 -6.681 -0.311 92 H GLU 10 H GLU 10 -7.722 -1.817 -0.367 93 HA GLU 10 HA GLU 10 -5.082 -2.338 -1.129 94 1HB GLU 10 H GLU 10 -6.499 0.326 -0.716 95 2HB GLU 10 H GLU 10 -4.961 0.124 -1.575 96 1HG GLU 10 H GLU 10 -6.985 -1.755 -2.556 97 2HG GLU 10 H GLU 10 -7.546 -0.080 -2.679 98 H ASP 11 H ASP 11 -6.308 -0.445 1.678 99 HA ASP 11 HA ASP 11 -3.695 0.282 2.634 100 1HB ASP 11 H ASP 11 -5.727 1.552 3.175 101 2HB ASP 11 H ASP 11 -6.399 0.147 4.030 102 H LYS 12 H LYS 12 -6.063 -2.250 3.649 103 HA LYS 12 HA LYS 12 -4.587 -3.245 5.842 104 1HB LYS 12 H LYS 12 -6.646 -4.445 3.962 105 2HB LYS 12 H LYS 12 -5.941 -5.394 5.288 106 1HG LYS 12 H LYS 12 -7.047 -2.637 5.854 107 2HG LYS 12 H LYS 12 -8.163 -4.013 5.692 108 1HD LYS 12 H LYS 12 -5.723 -4.306 7.443 109 2HD LYS 12 H LYS 12 -7.120 -3.391 8.058 110 1HE LYS 12 H LYS 12 -8.599 -5.320 7.615 111 2HE LYS 12 H LYS 12 -7.226 -6.237 6.958 112 1HZ LYS 12 H LYS 12 -7.460 -5.245 9.714 113 2HZ LYS 12 H LYS 12 -7.677 -6.806 9.228 114 3HZ LYS 12 H LYS 12 -6.190 -6.104 9.104 115 H ASN 13 H ASN 13 -4.592 -4.368 2.410 116 HA ASN 13 HA ASN 13 -2.698 -6.448 2.936 117 1HB ASN 13 HB2 ASN 13 -2.919 -6.979 0.734 118 2HB ASN 13 HB1 ASN 13 -4.364 -5.969 0.894 119 1HD2 ASN 13 HD21 ASN 13 -3.351 -3.767 -1.624 120 2HD2 ASN 13 HD22 ASN 13 -4.645 -4.553 -0.731 121 H LEU 14 H LEU 14 -2.373 -2.972 2.243 122 HA LEU 14 HA LEU 14 0.405 -3.049 1.529 123 1HB LEU 14 HB2 LEU 14 -1.080 -1.115 1.054 124 2HB LEU 14 HB1 LEU 14 -1.243 -0.812 2.790 125 HG LEU 14 HG LEU 14 1.250 -0.494 2.927 126 1HD1 LEU 14 HD11 LEU 14 0.981 -0.884 -0.075 127 2HD1 LEU 14 HD12 LEU 14 2.361 -0.032 0.652 128 3HD1 LEU 14 HD13 LEU 14 2.063 -1.739 1.045 129 1HD2 LEU 14 HD22 LEU 14 -0.294 1.429 2.668 130 2HD2 LEU 14 HD21 LEU 14 1.253 1.722 1.841 131 3HD2 LEU 14 HD23 LEU 14 -0.189 1.271 0.899 132 H ARG 15 H ARG 15 -1.204 -2.027 4.609 133 HA ARG 15 HA ARG 15 1.219 -1.887 6.080 134 1HB ARG 15 H ARG 15 -0.259 -1.805 8.067 135 2HB ARG 15 H ARG 15 -0.806 -0.721 6.777 136 1HG ARG 15 H ARG 15 -2.276 -2.827 6.096 137 2HG ARG 15 H ARG 15 -2.029 -3.285 7.790 138 1HD ARG 15 H ARG 15 -3.104 -0.600 6.813 139 2HD ARG 15 H ARG 15 -4.101 -1.922 7.450 140 HE ARG 15 H ARG 15 -2.094 -1.309 9.365 141 1HH1 ARG 15 H ARG 15 -4.858 0.281 7.805 142 2HH1 ARG 15 H ARG 15 -5.407 1.055 9.280 143 1HH2 ARG 15 H ARG 15 -2.750 -0.167 11.268 144 2HH2 ARG 15 H ARG 15 -4.128 0.906 11.214 145 H SER 16 H SER 16 -0.980 -4.615 5.418 146 HA SER 16 HA SER 16 0.514 -6.335 7.308 147 1HB SER 16 HB1 SER 16 -2.046 -6.329 6.973 148 2HB SER 16 HB2 SER 16 -1.723 -7.168 5.436 149 HG SER 16 HG SER 16 -2.019 -8.680 7.070 150 H GLY 17 H GLY 17 1.378 -5.129 4.445 151 1HA GLY 17 HA1 GLY 17 2.363 -7.732 3.341 152 2HA GLY 17 HA2 GLY 17 2.005 -6.291 2.365 153 H VAL 18 H VAL 18 3.164 -4.224 3.641 154 HA VAL 18 HA VAL 18 5.896 -4.448 2.983 155 HB VAL 18 HB VAL 18 4.397 -2.507 4.793 156 1HG1 VAL 18 HG13 VAL 18 7.269 -2.617 3.853 157 2HG1 VAL 18 HG11 VAL 18 6.479 -1.052 4.134 158 3HG1 VAL 18 HG12 VAL 18 6.638 -2.221 5.466 159 1HG2 VAL 18 HG23 VAL 18 3.724 -2.599 2.383 160 2HG2 VAL 18 HG22 VAL 18 4.484 -1.052 2.818 161 3HG2 VAL 18 HG21 VAL 18 5.411 -2.281 1.924 162 H ARG 19 H ARG 19 4.217 -4.787 6.135 163 HA ARG 19 HA ARG 19 6.636 -5.033 7.669 164 1HB ARG 19 H ARG 19 4.368 -4.324 8.513 165 2HB ARG 19 H ARG 19 3.830 -6.011 8.344 166 1HG ARG 19 H ARG 19 5.296 -6.779 10.033 167 2HG ARG 19 H ARG 19 6.339 -5.342 9.917 168 1HD ARG 19 H ARG 19 3.444 -5.253 10.863 169 2HD ARG 19 H ARG 19 4.834 -5.414 11.961 170 HE ARG 19 H ARG 19 5.276 -3.182 10.245 171 1HH1 ARG 19 H ARG 19 3.178 -4.220 12.903 172 2HH1 ARG 19 H ARG 19 2.931 -2.603 13.520 173 1HH2 ARG 19 H ARG 19 4.956 -1.050 11.072 174 2HH2 ARG 19 H ARG 19 3.939 -0.795 12.471 175 H LYS 20 H LYS 20 4.958 -7.218 5.547 176 HA LYS 20 HA LYS 20 6.034 -9.625 6.899 177 1HB LYS 20 H LYS 20 4.004 -9.053 4.749 178 2HB LYS 20 H LYS 20 4.826 -10.627 4.737 179 1HG LYS 20 H LYS 20 2.710 -10.707 6.031 180 2HG LYS 20 H LYS 20 4.124 -11.052 7.055 181 1HD LYS 20 H LYS 20 4.031 -8.921 8.102 182 2HD LYS 20 H LYS 20 3.020 -8.233 6.811 183 1HE LYS 20 H LYS 20 1.679 -8.655 8.836 184 2HE LYS 20 H LYS 20 1.139 -9.686 7.494 185 1HZ LYS 20 H LYS 20 2.933 -10.517 9.670 186 2HZ LYS 20 H LYS 20 1.332 -10.895 9.546 187 3HZ LYS 20 H LYS 20 2.404 -11.473 8.435 188 H TYR 21 H TYR 21 6.004 -8.284 3.533 189 HA TYR 21 HA TYR 21 8.260 -9.906 2.745 190 1HB TYR 21 HB2 TYR 21 6.878 -7.522 1.458 191 2HB TYR 21 HB1 TYR 21 8.149 -8.479 0.680 192 HD1 TYR 21 HD1 TYR 21 7.747 -10.963 0.267 193 HD2 TYR 21 HD2 TYR 21 4.610 -8.259 1.444 194 HE1 TYR 21 HE1 TYR 21 6.044 -12.584 -0.533 195 HE2 TYR 21 HE2 TYR 21 2.911 -9.877 0.643 196 HH TYR 21 HH TYR 21 3.812 -13.018 -0.816 197 H GLY 22 H GLY 22 7.933 -6.293 2.885 198 1HA GLY 22 HA1 GLY 22 9.929 -5.565 4.550 199 2HA GLY 22 HA2 GLY 22 10.850 -6.046 3.107 200 H GLU 23 H GLU 23 10.558 -3.371 4.341 201 HA GLU 23 HA GLU 23 8.836 -1.783 2.633 202 1HB GLU 23 H GLU 23 9.511 -1.204 4.987 203 2HB GLU 23 H GLU 23 11.167 -0.921 4.404 204 1HG GLU 23 H GLU 23 10.431 0.880 2.964 205 2HG GLU 23 H GLU 23 8.723 0.485 3.245 206 H GLY 24 H GLY 24 9.473 -2.504 0.537 207 1HA GLY 24 HA1 GLY 24 11.074 -0.909 -0.977 208 2HA GLY 24 HA2 GLY 24 12.224 -2.116 -0.363 209 H ASN 25 H ASN 25 10.052 -4.208 -0.213 210 HA ASN 25 HA ASN 25 10.361 -5.192 -2.946 211 1HB ASN 25 HB2 ASN 25 8.873 -6.350 -0.550 212 2HB ASN 25 HB1 ASN 25 9.320 -7.217 -2.033 213 1HD2 ASN 25 HD21 ASN 25 12.854 -7.349 -1.242 214 2HD2 ASN 25 HD22 ASN 25 11.756 -7.124 -2.586 215 H TRP 26 H TRP 26 8.962 -2.901 -3.247 216 HA TRP 26 HA TRP 26 6.141 -3.063 -2.954 217 1HB TRP 26 HB2 TRP 26 7.714 -1.542 -5.059 218 2HB TRP 26 HB1 TRP 26 6.099 -1.160 -4.442 219 HD1 TRP 26 HD1 TRP 26 9.566 -0.188 -4.028 220 HE1 TRP 26 HE1 TRP 26 10.004 1.117 -1.854 221 HE3 TRP 26 HE3 TRP 26 5.184 -1.198 -1.594 222 HZ2 TRP 26 HZ2 TRP 26 8.649 1.620 0.609 223 HZ3 TRP 26 HZ3 TRP 26 4.792 -0.273 0.671 224 HH2 TRP 26 HH2 TRP 26 6.517 1.120 1.782 225 H SER 27 H SER 27 8.314 -3.865 -5.709 226 HA SER 27 HA SER 27 6.282 -4.580 -7.553 227 1HB SER 27 HB2 SER 27 8.176 -5.938 -8.591 228 2HB SER 27 HB1 SER 27 8.525 -4.213 -8.322 229 HG SER 27 HG SER 27 10.216 -5.572 -7.578 230 H LYS 28 H LYS 28 8.116 -6.532 -5.147 231 HA LYS 28 HA LYS 28 7.025 -9.050 -5.805 232 1HB LYS 28 H LYS 28 8.946 -8.249 -4.129 233 2HB LYS 28 H LYS 28 7.625 -8.347 -2.942 234 1HG LYS 28 H LYS 28 8.368 -10.538 -2.840 235 2HG LYS 28 H LYS 28 7.202 -10.695 -4.169 236 1HD LYS 28 H LYS 28 9.105 -11.721 -5.081 237 2HD LYS 28 H LYS 28 9.244 -10.061 -5.703 238 1HE LYS 28 H LYS 28 11.412 -10.621 -4.861 239 2HE LYS 28 H LYS 28 10.689 -9.555 -3.640 240 1HZ LYS 28 H LYS 28 10.750 -12.490 -3.520 241 2HZ LYS 28 H LYS 28 11.730 -11.474 -2.668 242 3HZ LYS 28 H LYS 28 10.108 -11.491 -2.377 243 H ILE 29 H ILE 29 5.924 -6.566 -3.427 244 HA ILE 29 HA ILE 29 3.684 -8.018 -2.456 245 HB ILE 29 HB ILE 29 4.294 -5.042 -2.673 246 1HG1 ILE 29 HG12 ILE 29 4.105 -6.765 -0.182 247 2HG1 ILE 29 HG11 ILE 29 5.598 -6.723 -1.142 248 1HG2 ILE 29 HG21 ILE 29 1.965 -6.461 -1.300 249 2HG2 ILE 29 HG22 ILE 29 2.413 -4.764 -1.021 250 3HG2 ILE 29 HG23 ILE 29 1.859 -5.280 -2.627 251 1HD1 ILE 29 HD12 ILE 29 5.600 -4.213 -0.927 252 2HD1 ILE 29 HD13 ILE 29 4.205 -4.349 0.169 253 3HD1 ILE 29 HD11 ILE 29 5.768 -5.060 0.627 254 H LEU 30 H LEU 30 4.046 -5.730 -5.213 255 HA LEU 30 HA LEU 30 1.337 -5.611 -5.985 256 1HB LEU 30 HB2 LEU 30 3.688 -4.497 -6.852 257 2HB LEU 30 HB1 LEU 30 3.407 -5.676 -8.145 258 HG LEU 30 HG LEU 30 2.391 -3.609 -8.830 259 1HD1 LEU 30 HD13 LEU 30 1.051 -5.724 -9.179 260 2HD1 LEU 30 HD12 LEU 30 0.109 -5.297 -7.732 261 3HD1 LEU 30 HD11 LEU 30 0.084 -4.231 -9.152 262 1HD2 LEU 30 HD23 LEU 30 2.302 -2.557 -6.583 263 2HD2 LEU 30 HD22 LEU 30 0.770 -2.375 -7.468 264 3HD2 LEU 30 HD21 LEU 30 0.909 -3.577 -6.168 265 H LEU 31 H LEU 31 3.919 -7.953 -6.849 266 HA LEU 31 HA LEU 31 2.348 -9.405 -8.754 267 1HB LEU 31 HB2 LEU 31 4.839 -10.037 -7.135 268 2HB LEU 31 HB1 LEU 31 4.137 -11.199 -8.280 269 HG LEU 31 HG LEU 31 4.736 -8.348 -9.141 270 1HD1 LEU 31 HD11 LEU 31 6.654 -10.721 -9.135 271 2HD1 LEU 31 HD13 LEU 31 6.943 -9.167 -9.952 272 3HD1 LEU 31 HD12 LEU 31 6.826 -9.230 -8.179 273 1HD2 LEU 31 HD22 LEU 31 4.591 -11.033 -10.589 274 2HD2 LEU 31 HD23 LEU 31 3.358 -9.752 -10.633 275 3HD2 LEU 31 HD21 LEU 31 4.956 -9.470 -11.356 276 H HIS 32 H HIS 32 3.055 -9.965 -5.253 277 HA HIS 32 HA HIS 32 1.480 -12.403 -5.204 278 1HB HIS 32 HB2 HIS 32 2.662 -10.657 -3.015 279 2HB HIS 32 HB1 HIS 32 1.854 -12.209 -2.729 280 HD1 HIS 32 HD1 HIS 32 3.009 -14.116 -4.716 281 HD2 HIS 32 HD2 HIS 32 5.342 -11.151 -2.907 282 HE1 HIS 32 HE1 HIS 32 5.442 -14.848 -4.868 283 H TYR 33 H TYR 33 1.038 -9.349 -3.317 284 HA TYR 33 HA TYR 33 -1.749 -10.011 -2.829 285 1HB TYR 33 HB1 TYR 33 -0.017 -7.584 -2.248 286 2HB TYR 33 HB2 TYR 33 -1.721 -7.688 -1.790 287 HD1 TYR 33 HD2 TYR 33 -0.350 -10.972 -1.491 288 HD2 TYR 33 HD1 TYR 33 -0.417 -7.127 0.456 289 HE1 TYR 33 HE2 TYR 33 0.272 -12.044 0.651 290 HE2 TYR 33 HE1 TYR 33 0.194 -8.212 2.600 291 HH TYR 33 HH TYR 33 0.735 -11.738 2.867 292 H LYS 34 H LYS 34 -3.586 -8.989 -3.616 293 HA LYS 34 HA LYS 34 -3.425 -8.078 -6.345 294 1HB LYS 34 H LYS 34 -5.777 -7.911 -4.410 295 2HB LYS 34 H LYS 34 -5.844 -7.893 -6.186 296 1HG LYS 34 H LYS 34 -4.934 -10.225 -4.431 297 2HG LYS 34 H LYS 34 -6.450 -10.118 -5.346 298 1HD LYS 34 H LYS 34 -5.082 -9.913 -7.467 299 2HD LYS 34 H LYS 34 -3.622 -10.210 -6.494 300 1HE LYS 34 H LYS 34 -4.294 -12.321 -7.442 301 2HE LYS 34 H LYS 34 -4.666 -12.370 -5.706 302 1HZ LYS 34 H LYS 34 -6.600 -11.764 -7.837 303 2HZ LYS 34 H LYS 34 -6.450 -13.217 -7.069 304 3HZ LYS 34 H LYS 34 -6.932 -11.886 -6.225 305 H PHE 35 H PHE 35 -3.387 -6.039 -7.159 306 HA PHE 35 HA PHE 35 -4.031 -3.756 -5.421 307 1HB PHE 35 HB2 PHE 35 -1.302 -4.619 -6.087 308 2HB PHE 35 HB1 PHE 35 -1.633 -2.967 -6.627 309 HD1 PHE 35 HD1 PHE 35 -3.262 -1.742 -4.635 310 HD2 PHE 35 HD2 PHE 35 -0.099 -4.613 -4.098 311 HE1 PHE 35 HE1 PHE 35 -2.905 -0.915 -2.325 312 HE2 PHE 35 HE2 PHE 35 0.263 -3.771 -1.793 313 HZ PHE 35 HZ PHE 35 -1.148 -1.939 -0.905 314 H ASN 36 H ASN 36 -4.167 -1.748 -6.625 315 HA ASN 36 HA ASN 36 -4.977 -2.233 -9.440 316 1HB ASN 36 HB2 ASN 36 -6.472 -1.181 -7.621 317 2HB ASN 36 HB1 ASN 36 -5.428 0.242 -7.746 318 1HD2 ASN 36 HD21 ASN 36 -7.805 -0.822 -10.993 319 2HD2 ASN 36 HD22 ASN 36 -7.172 -2.059 -9.929 320 H ASN 37 H ASN 37 -4.686 0.810 -9.824 321 HA ASN 37 HA ASN 37 -1.964 0.719 -10.861 322 1HB ASN 37 HB2 ASN 37 -4.096 2.898 -10.816 323 2HB ASN 37 HB1 ASN 37 -2.552 3.002 -11.689 324 1HD2 ASN 37 HD22 ASN 37 -3.465 0.640 -14.242 325 2HD2 ASN 37 HD21 ASN 37 -2.111 1.277 -13.337 326 H ARG 38 H ARG 38 -1.271 0.310 -8.467 327 HA ARG 38 HA ARG 38 -0.861 2.915 -7.069 328 1HB ARG 38 H ARG 38 -0.591 0.057 -6.033 329 2HB ARG 38 H ARG 38 -0.413 1.544 -5.077 330 1HG ARG 38 H ARG 38 -2.963 0.632 -6.499 331 2HG ARG 38 H ARG 38 -2.648 0.536 -4.754 332 1HD ARG 38 H ARG 38 -3.653 2.567 -4.649 333 2HD ARG 38 H ARG 38 -2.110 3.191 -5.254 334 HE ARG 38 H ARG 38 -3.043 3.488 -7.394 335 1HH1 ARG 38 H ARG 38 -5.327 1.764 -5.260 336 2HH1 ARG 38 H ARG 38 -6.727 2.156 -6.250 337 1HH2 ARG 38 H ARG 38 -4.887 3.899 -8.704 338 2HH2 ARG 38 H ARG 38 -6.468 3.332 -8.212 339 H THR 39 H THR 39 0.934 3.743 -8.098 340 HA THR 39 HA THR 39 3.132 2.208 -9.035 341 HB THR 39 HB THR 39 3.278 5.097 -8.109 342 HG1 THR 39 HG1 THR 39 2.368 5.568 -10.176 343 1HG2 THR 39 HG22 THR 39 4.480 3.526 -10.435 344 2HG2 THR 39 HG21 THR 39 4.682 5.276 -10.179 345 3HG2 THR 39 HG23 THR 39 5.349 4.123 -9.002 346 H SER 40 H SER 40 5.308 2.058 -8.178 347 HA SER 40 HA SER 40 5.490 1.155 -5.532 348 1HB SER 40 HB1 SER 40 7.634 2.271 -7.384 349 2HB SER 40 HB2 SER 40 7.964 1.394 -5.872 350 HG SER 40 HG SER 40 6.438 0.388 -8.049 351 H VAL 41 H VAL 41 6.264 4.409 -6.877 352 HA VAL 41 HA VAL 41 7.237 5.492 -4.429 353 HB VAL 41 HB VAL 41 7.622 6.446 -6.714 354 1HG1 VAL 41 HG11 VAL 41 5.241 6.155 -7.507 355 2HG1 VAL 41 HG13 VAL 41 4.774 7.507 -6.451 356 3HG1 VAL 41 HG12 VAL 41 5.904 7.777 -7.796 357 1HG2 VAL 41 HG23 VAL 41 7.960 7.780 -4.629 358 2HG2 VAL 41 HG21 VAL 41 7.479 8.788 -6.014 359 3HG2 VAL 41 HG22 VAL 41 6.287 8.372 -4.761 360 H MET 42 H MET 42 3.959 5.141 -5.799 361 HA MET 42 HA MET 42 2.661 6.871 -3.914 362 1HB MET 42 HB1 MET 42 1.912 5.630 -6.233 363 2HB MET 42 HB2 MET 42 1.149 4.557 -5.040 364 1HG MET 42 HG2 MET 42 -0.465 6.245 -5.511 365 2HG MET 42 HG1 MET 42 0.218 6.652 -3.929 366 1HE MET 42 HE3 MET 42 -0.189 7.528 -7.647 367 2HE MET 42 HE2 MET 42 0.914 8.899 -7.908 368 3HE MET 42 HE1 MET 42 1.571 7.267 -7.660 369 H LEU 43 H LEU 43 3.225 3.317 -4.066 370 HA LEU 43 HA LEU 43 1.894 2.654 -1.640 371 1HB LEU 43 HB2 LEU 43 4.226 1.373 -3.130 372 2HB LEU 43 HB1 LEU 43 3.425 0.625 -1.731 373 HG LEU 43 HG LEU 43 1.726 1.571 -4.044 374 1HD1 LEU 43 HD12 LEU 43 3.367 -0.997 -3.953 375 2HD1 LEU 43 HD11 LEU 43 2.003 -0.718 -5.060 376 3HD1 LEU 43 HD13 LEU 43 3.460 0.294 -5.175 377 1HD2 LEU 43 HD21 LEU 43 0.822 0.662 -1.835 378 2HD2 LEU 43 HD22 LEU 43 0.265 -0.192 -3.292 379 3HD2 LEU 43 HD23 LEU 43 1.543 -0.902 -2.279 380 H LYS 44 H LYS 44 5.275 3.602 -2.366 381 HA LYS 44 HA LYS 44 6.313 3.280 0.251 382 1HB LYS 44 H LYS 44 7.637 3.566 -1.850 383 2HB LYS 44 H LYS 44 7.137 5.271 -1.901 384 1HG LYS 44 H LYS 44 8.167 5.611 0.354 385 2HG LYS 44 H LYS 44 8.725 3.924 0.333 386 1HD LYS 44 H LYS 44 9.443 5.966 -1.819 387 2HD LYS 44 H LYS 44 10.456 5.648 -0.392 388 1HE LYS 44 H LYS 44 10.511 3.211 -1.055 389 2HE LYS 44 H LYS 44 9.667 3.648 -2.556 390 1HZ LYS 44 H LYS 44 11.494 5.102 -3.078 391 2HZ LYS 44 H LYS 44 12.283 4.667 -1.696 392 3HZ LYS 44 H LYS 44 12.016 3.551 -2.879 393 H ASP 45 H ASP 45 4.796 6.115 -1.382 394 HA ASP 45 HA ASP 45 5.199 7.932 0.779 395 1HB ASP 45 H ASP 45 4.659 8.606 -1.537 396 2HB ASP 45 H ASP 45 3.041 7.890 -1.368 397 H ARG 46 H ARG 46 2.402 5.817 -0.101 398 HA ARG 46 HA ARG 46 0.689 6.669 1.979 399 1HB ARG 46 H ARG 46 0.826 4.475 0.043 400 2HB ARG 46 H ARG 46 0.188 3.915 1.599 401 1HG ARG 46 H ARG 46 -0.865 6.245 -0.068 402 2HG ARG 46 H ARG 46 -1.655 4.677 0.187 403 1HD ARG 46 H ARG 46 -1.403 7.016 2.053 404 2HD ARG 46 H ARG 46 -2.782 5.947 1.765 405 HE ARG 46 H ARG 46 -0.520 5.497 3.622 406 1HH1 ARG 46 H ARG 46 -3.275 4.016 1.933 407 2HH1 ARG 46 H ARG 46 -3.626 2.892 3.233 408 1HH2 ARG 46 H ARG 46 -0.971 3.958 5.277 409 2HH2 ARG 46 H ARG 46 -2.311 2.837 5.101 410 H TRP 47 H TRP 47 3.112 4.007 1.878 411 HA TRP 47 HA TRP 47 2.610 3.106 4.542 412 1HB TRP 47 HB2 TRP 47 3.735 1.721 2.897 413 2HB TRP 47 HB1 TRP 47 5.050 2.896 2.752 414 HD1 TRP 47 HD1 TRP 47 7.104 2.202 3.993 415 HE1 TRP 47 HE1 TRP 47 7.729 0.830 6.085 416 HE3 TRP 47 HE3 TRP 47 2.393 0.958 5.563 417 HZ2 TRP 47 HZ2 TRP 47 6.360 -0.597 8.144 418 HZ3 TRP 47 HZ3 TRP 47 2.098 -0.405 7.613 419 HH2 TRP 47 HH2 TRP 47 4.069 -1.191 8.899 420 H ARG 48 H ARG 48 4.868 5.537 3.161 421 HA ARG 48 HA ARG 48 6.375 6.030 5.508 422 1HB ARG 48 H ARG 48 6.985 6.854 3.259 423 2HB ARG 48 H ARG 48 5.574 7.936 3.267 424 1HG ARG 48 H ARG 48 6.483 9.079 5.293 425 2HG ARG 48 H ARG 48 7.917 8.027 5.222 426 1HD ARG 48 H ARG 48 7.003 9.847 2.954 427 2HD ARG 48 H ARG 48 8.236 10.296 4.155 428 HE ARG 48 H ARG 48 9.080 7.849 3.120 429 1HH1 ARG 48 H ARG 48 8.271 11.034 1.796 430 2HH1 ARG 48 H ARG 48 9.446 10.947 0.506 431 1HH2 ARG 48 H ARG 48 10.648 7.752 1.430 432 2HH2 ARG 48 H ARG 48 10.786 9.064 0.284 433 H THR 49 H THR 49 3.346 7.536 4.274 434 HA THR 49 HA THR 49 2.992 9.400 6.371 435 HB THR 49 HB THR 49 0.855 7.898 4.792 436 HG1 THR 49 HG1 THR 49 2.299 8.869 3.389 437 1HG2 THR 49 HG21 THR 49 0.881 10.607 6.197 438 2HG2 THR 49 HG23 THR 49 -0.439 10.002 5.170 439 3HG2 THR 49 HG22 THR 49 -0.046 9.172 6.694 440 H MET 50 H MET 50 1.919 5.981 6.022 441 HA MET 50 HA MET 50 0.512 5.851 8.498 442 1HB MET 50 HB2 MET 50 0.743 4.226 6.345 443 2HB MET 50 HB1 MET 50 1.885 3.410 7.437 444 1HG MET 50 HG1 MET 50 -0.294 2.442 7.785 445 2HG MET 50 HG2 MET 50 0.098 3.424 9.205 446 1HE MET 50 HE1 MET 50 -2.787 2.263 8.336 447 2HE MET 50 HE3 MET 50 -2.480 3.139 9.855 448 3HE MET 50 HE2 MET 50 -3.825 3.632 8.798 449 H LYS 51 H LYS 51 3.941 5.363 7.621 450 HA LYS 51 HA LYS 51 4.807 4.200 10.067 451 1HB LYS 51 H LYS 51 6.034 4.498 7.775 452 2HB LYS 51 H LYS 51 6.483 6.100 8.401 453 1HG LYS 51 H LYS 51 7.175 4.679 10.557 454 2HG LYS 51 H LYS 51 7.297 3.363 9.369 455 1HD LYS 51 H LYS 51 8.747 6.053 9.296 456 2HD LYS 51 H LYS 51 9.477 4.461 9.591 457 1HE LYS 51 H LYS 51 8.149 5.392 7.004 458 2HE LYS 51 H LYS 51 9.886 5.160 7.274 459 1HZ LYS 51 H LYS 51 9.374 2.822 7.725 460 2HZ LYS 51 H LYS 51 7.811 3.087 7.267 461 3HZ LYS 51 H LYS 51 9.037 3.284 6.175 462 H LYS 52 H LYS 52 4.470 7.594 8.959 463 HA LYS 52 HA LYS 52 5.549 8.795 11.325 464 1HB LYS 52 H LYS 52 5.319 9.937 9.127 465 2HB LYS 52 H LYS 52 3.551 9.873 9.294 466 1HG LYS 52 H LYS 52 3.646 11.265 11.310 467 2HG LYS 52 H LYS 52 5.424 11.235 11.279 468 1HD LYS 52 H LYS 52 4.646 13.348 10.334 469 2HD LYS 52 H LYS 52 5.365 12.364 9.037 470 1HE LYS 52 H LYS 52 3.181 11.708 8.222 471 2HE LYS 52 H LYS 52 2.376 12.409 9.642 472 1HZ LYS 52 H LYS 52 3.862 13.912 7.600 473 2HZ LYS 52 H LYS 52 2.220 13.824 7.729 474 3HZ LYS 52 H LYS 52 3.102 14.561 8.912 475 H LEU 53 H LEU 53 2.170 8.113 10.231 476 HA LEU 53 HA LEU 53 1.318 7.720 12.988 477 1HB LEU 53 HB2 LEU 53 1.290 10.225 12.747 478 2HB LEU 53 HB1 LEU 53 0.172 10.047 11.377 479 HG LEU 53 HG LEU 53 -1.377 8.762 12.975 480 1HD1 LEU 53 HD12 LEU 53 0.613 9.920 14.978 481 2HD1 LEU 53 HD11 LEU 53 -1.008 9.330 15.416 482 3HD1 LEU 53 HD13 LEU 53 0.195 8.206 14.748 483 1HD2 LEU 53 HD22 LEU 53 -0.714 11.672 13.605 484 2HD2 LEU 53 HD21 LEU 53 -1.781 11.103 12.297 485 3HD2 LEU 53 HD23 LEU 53 -2.243 10.849 13.997 No H/Q in entry = 485 Start of MODEL 12 1 1H ARG 1 H2 ARG 1 -12.968 0.114 -6.660 2 2H ARG 1 H1 ARG 1 -14.537 -0.070 -6.186 3 3H ARG 1 H3 ARG 1 -13.670 -1.377 -6.695 4 HA ARG 1 HA ARG 1 -13.515 -0.518 -8.899 5 1HB ARG 1 H ARG 1 -16.312 -0.641 -7.702 6 2HB ARG 1 H ARG 1 -16.004 -0.538 -9.449 7 1HG ARG 1 H ARG 1 -14.688 -2.696 -7.760 8 2HG ARG 1 H ARG 1 -16.338 -2.898 -8.386 9 1HD ARG 1 H ARG 1 -15.463 -2.415 -10.702 10 2HD ARG 1 H ARG 1 -13.820 -2.380 -10.030 11 HE ARG 1 H ARG 1 -13.824 -4.694 -9.879 12 1HH1 ARG 1 H ARG 1 -17.133 -3.526 -10.408 13 2HH1 ARG 1 H ARG 1 -17.782 -5.114 -10.745 14 1HH2 ARG 1 H ARG 1 -14.695 -6.784 -10.319 15 2HH2 ARG 1 H ARG 1 -16.395 -6.972 -10.674 16 H LYS 2 H LYS 2 -12.426 1.584 -8.661 17 HA LYS 2 HA LYS 2 -12.290 3.860 -8.865 18 1HB LYS 2 H LYS 2 -13.460 3.072 -11.012 19 2HB LYS 2 H LYS 2 -14.970 3.672 -10.288 20 1HG LYS 2 H LYS 2 -13.696 5.897 -9.907 21 2HG LYS 2 H LYS 2 -12.468 5.250 -11.013 22 1HD LYS 2 H LYS 2 -15.440 5.498 -11.681 23 2HD LYS 2 H LYS 2 -14.214 6.701 -12.136 24 1HE LYS 2 H LYS 2 -14.166 3.761 -12.962 25 2HE LYS 2 H LYS 2 -14.732 5.096 -13.984 26 1HZ LYS 2 H LYS 2 -12.531 6.061 -13.783 27 2HZ LYS 2 H LYS 2 -12.015 4.750 -12.926 28 3HZ LYS 2 H LYS 2 -12.493 4.572 -14.493 29 H ARG 3 H ARG 3 -12.894 3.483 -6.371 30 HA ARG 3 HA ARG 3 -15.248 5.223 -5.760 31 1HB ARG 3 H ARG 3 -15.086 2.708 -4.963 32 2HB ARG 3 H ARG 3 -13.952 3.361 -3.762 33 1HG ARG 3 H ARG 3 -15.901 5.174 -3.428 34 2HG ARG 3 H ARG 3 -16.908 3.875 -4.104 35 1HD ARG 3 H ARG 3 -15.050 3.616 -1.696 36 2HD ARG 3 H ARG 3 -16.818 3.777 -1.624 37 HE ARG 3 H ARG 3 -16.294 1.581 -3.294 38 1HH1 ARG 3 H ARG 3 -15.765 2.539 0.075 39 2HH1 ARG 3 H ARG 3 -15.777 0.902 0.687 40 1HH2 ARG 3 H ARG 3 -16.317 -0.582 -2.477 41 2HH2 ARG 3 H ARG 3 -16.066 -0.879 -0.773 42 H GLN 4 H GLN 4 -13.987 5.209 -2.899 43 HA GLN 4 HA GLN 4 -12.576 7.692 -3.181 44 1HB GLN 4 HB1 GLN 4 -12.948 5.732 -0.878 45 2HB GLN 4 HB2 GLN 4 -12.085 7.277 -0.708 46 1HG GLN 4 HG1 GLN 4 -14.951 7.007 -1.721 47 2HG GLN 4 HG2 GLN 4 -14.514 7.394 -0.045 48 1HE2 GLN 4 HE22 GLN 4 -15.190 10.547 -2.074 49 2HE2 GLN 4 HE21 GLN 4 -16.081 9.060 -1.843 50 H ALA 5 H ALA 5 -10.345 8.112 -2.606 51 HA ALA 5 HA ALA 5 -8.514 6.356 -3.906 52 1HB ALA 5 HB3 ALA 5 -8.175 8.790 -3.710 53 2HB ALA 5 HB1 ALA 5 -8.027 8.638 -1.943 54 3HB ALA 5 HB2 ALA 5 -6.802 7.903 -3.005 55 H TRP 6 H TRP 6 -7.554 4.559 -3.197 56 HA TRP 6 HA TRP 6 -6.780 2.897 -1.860 57 1HB TRP 6 HB2 TRP 6 -6.279 5.308 -0.123 58 2HB TRP 6 HB1 TRP 6 -5.922 3.678 0.458 59 HD1 TRP 6 HD1 TRP 6 -4.937 6.079 -2.363 60 HE1 TRP 6 HE1 TRP 6 -2.570 5.510 -3.206 61 HE3 TRP 6 HE3 TRP 6 -4.112 1.848 0.388 62 HZ2 TRP 6 HZ2 TRP 6 -0.600 3.493 -2.736 63 HZ3 TRP 6 HZ3 TRP 6 -1.969 0.624 0.156 64 HH2 TRP 6 HH2 TRP 6 -0.217 1.440 -1.395 65 H LEU 7 H LEU 7 -8.508 1.570 -1.614 66 HA LEU 7 HA LEU 7 -10.693 2.139 0.187 67 1HB LEU 7 HB2 LEU 7 -9.722 -0.407 -1.174 68 2HB LEU 7 HB1 LEU 7 -11.229 -0.299 -0.242 69 HG LEU 7 HG LEU 7 -10.598 1.528 -2.603 70 1HD1 LEU 7 HD13 LEU 7 -10.645 -0.842 -3.336 71 2HD1 LEU 7 HD11 LEU 7 -12.224 -1.053 -2.541 72 3HD1 LEU 7 HD12 LEU 7 -12.066 0.049 -3.930 73 1HD2 LEU 7 HD23 LEU 7 -13.069 0.887 -0.947 74 2HD2 LEU 7 HD21 LEU 7 -12.315 2.475 -1.228 75 3HD2 LEU 7 HD22 LEU 7 -13.173 1.651 -2.548 76 H TRP 8 H TRP 8 -11.246 0.667 2.046 77 HA TRP 8 HA TRP 8 -9.270 0.792 4.052 78 1HB TRP 8 HB1 TRP 8 -10.814 -0.526 5.379 79 2HB TRP 8 HB2 TRP 8 -11.716 0.664 4.432 80 HD1 TRP 8 HD1 TRP 8 -13.322 -0.235 2.552 81 HE1 TRP 8 HE1 TRP 8 -14.377 -2.528 2.034 82 HE3 TRP 8 HE3 TRP 8 -10.341 -3.176 5.498 83 HZ2 TRP 8 HZ2 TRP 8 -13.974 -5.251 2.793 84 HZ3 TRP 8 HZ3 TRP 8 -10.709 -5.629 5.569 85 HH2 TRP 8 HH2 TRP 8 -12.519 -6.669 4.224 86 H GLU 9 H GLU 9 -10.256 -1.900 1.904 87 HA GLU 9 HA GLU 9 -8.729 -3.938 3.132 88 1HB GLU 9 H GLU 9 -9.056 -5.130 0.998 89 2HB GLU 9 H GLU 9 -10.555 -4.334 1.525 90 1HG GLU 9 H GLU 9 -9.750 -2.345 0.021 91 2HG GLU 9 H GLU 9 -8.666 -3.542 -0.712 92 H GLU 10 H GLU 10 -7.878 -1.525 0.613 93 HA GLU 10 HA GLU 10 -5.406 -2.671 -0.153 94 1HB GLU 10 H GLU 10 -6.388 0.208 -0.153 95 2HB GLU 10 H GLU 10 -4.882 -0.332 -0.925 96 1HG GLU 10 H GLU 10 -6.245 -2.027 -2.222 97 2HG GLU 10 H GLU 10 -7.709 -1.266 -1.569 98 H ASP 11 H ASP 11 -6.258 -0.466 2.557 99 HA ASP 11 HA ASP 11 -3.599 0.116 3.386 100 1HB ASP 11 H ASP 11 -5.312 1.404 4.384 101 2HB ASP 11 H ASP 11 -6.274 -0.024 4.798 102 H LYS 12 H LYS 12 -5.842 -2.584 4.209 103 HA LYS 12 HA LYS 12 -4.089 -3.826 6.099 104 1HB LYS 12 H LYS 12 -6.084 -5.332 4.377 105 2HB LYS 12 H LYS 12 -5.577 -5.673 6.045 106 1HG LYS 12 H LYS 12 -7.329 -3.381 5.075 107 2HG LYS 12 H LYS 12 -7.801 -4.724 6.124 108 1HD LYS 12 H LYS 12 -6.324 -3.908 7.905 109 2HD LYS 12 H LYS 12 -5.728 -2.606 6.854 110 1HE LYS 12 H LYS 12 -8.166 -1.847 6.636 111 2HE LYS 12 H LYS 12 -8.529 -2.958 7.974 112 1HZ LYS 12 H LYS 12 -6.578 -0.752 8.057 113 2HZ LYS 12 H LYS 12 -8.095 -0.721 8.719 114 3HZ LYS 12 H LYS 12 -6.961 -1.762 9.311 115 H ASN 13 H ASN 13 -4.534 -4.207 2.559 116 HA ASN 13 HA ASN 13 -2.785 -6.430 2.243 117 1HB ASN 13 HB2 ASN 13 -3.505 -4.171 0.327 118 2HB ASN 13 HB1 ASN 13 -2.688 -5.672 -0.139 119 1HD2 ASN 13 HD22 ASN 13 -5.793 -7.592 0.899 120 2HD2 ASN 13 HD21 ASN 13 -4.139 -7.539 1.464 121 H LEU 14 H LEU 14 -2.189 -2.885 2.216 122 HA LEU 14 HA LEU 14 0.558 -3.063 1.427 123 1HB LEU 14 HB2 LEU 14 -1.238 -1.047 1.648 124 2HB LEU 14 HB1 LEU 14 -0.411 -0.831 3.200 125 HG LEU 14 HG LEU 14 0.677 0.590 1.582 126 1HD1 LEU 14 HD11 LEU 14 2.147 -0.733 3.156 127 2HD1 LEU 14 HD13 LEU 14 2.442 -1.871 1.821 128 3HD1 LEU 14 HD12 LEU 14 2.952 -0.177 1.671 129 1HD2 LEU 14 HD21 LEU 14 -0.150 -0.670 -0.436 130 2HD2 LEU 14 HD22 LEU 14 1.549 -0.167 -0.535 131 3HD2 LEU 14 HD23 LEU 14 1.142 -1.856 -0.170 132 H ARG 15 H ARG 15 -1.012 -2.586 4.624 133 HA ARG 15 HA ARG 15 1.299 -2.587 6.212 134 1HB ARG 15 H ARG 15 -1.257 -2.140 6.692 135 2HB ARG 15 H ARG 15 -1.289 -3.862 7.126 136 1HG ARG 15 H ARG 15 0.357 -3.542 8.857 137 2HG ARG 15 H ARG 15 0.734 -1.902 8.287 138 1HD ARG 15 H ARG 15 -1.928 -2.820 9.451 139 2HD ARG 15 H ARG 15 -0.723 -1.826 10.288 140 HE ARG 15 H ARG 15 -2.574 -0.982 8.143 141 1HH1 ARG 15 H ARG 15 0.294 -0.170 10.088 142 2HH1 ARG 15 H ARG 15 0.121 1.555 9.844 143 1HH2 ARG 15 H ARG 15 -2.663 1.268 7.690 144 2HH2 ARG 15 H ARG 15 -1.618 2.376 8.573 145 H SER 16 H SER 16 -0.798 -5.347 5.237 146 HA SER 16 HA SER 16 0.663 -7.342 6.653 147 1HB SER 16 HB2 SER 16 -1.656 -7.620 5.845 148 2HB SER 16 HB1 SER 16 -1.083 -7.551 4.161 149 HG SER 16 HG SER 16 -0.327 -9.467 6.123 150 H GLY 17 H GLY 17 0.817 -6.235 3.216 151 1HA GLY 17 HA1 GLY 17 2.687 -8.120 2.295 152 2HA GLY 17 HA2 GLY 17 2.440 -6.497 1.621 153 H VAL 18 H VAL 18 3.279 -4.806 3.609 154 HA VAL 18 HA VAL 18 6.113 -4.950 3.337 155 HB VAL 18 HB VAL 18 4.283 -3.286 5.109 156 1HG1 VAL 18 HG12 VAL 18 7.301 -3.237 4.731 157 2HG1 VAL 18 HG11 VAL 18 6.390 -1.814 5.275 158 3HG1 VAL 18 HG13 VAL 18 6.388 -3.293 6.256 159 1HG2 VAL 18 HG22 VAL 18 4.181 -2.994 2.604 160 2HG2 VAL 18 HG21 VAL 18 4.753 -1.544 3.459 161 3HG2 VAL 18 HG23 VAL 18 5.914 -2.598 2.620 162 H ARG 19 H ARG 19 3.922 -5.710 6.106 163 HA ARG 19 HA ARG 19 6.032 -6.286 7.949 164 1HB ARG 19 H ARG 19 3.107 -7.091 7.773 165 2HB ARG 19 H ARG 19 4.150 -7.593 9.121 166 1HG ARG 19 H ARG 19 3.987 -4.671 8.313 167 2HG ARG 19 H ARG 19 2.738 -5.387 9.356 168 1HD ARG 19 H ARG 19 5.732 -5.483 9.932 169 2HD ARG 19 H ARG 19 4.606 -4.306 10.638 170 HE ARG 19 H ARG 19 3.523 -6.843 11.160 171 1HH1 ARG 19 H ARG 19 6.442 -4.996 11.942 172 2HH1 ARG 19 H ARG 19 6.716 -5.810 13.464 173 1HH2 ARG 19 H ARG 19 3.887 -7.914 13.174 174 2HH2 ARG 19 H ARG 19 5.255 -7.471 14.169 175 H LYS 20 H LYS 20 4.335 -8.250 5.501 176 HA LYS 20 HA LYS 20 5.358 -10.773 6.438 177 1HB LYS 20 H LYS 20 3.305 -10.628 5.118 178 2HB LYS 20 H LYS 20 4.184 -9.878 3.769 179 1HG LYS 20 H LYS 20 3.792 -12.284 3.349 180 2HG LYS 20 H LYS 20 5.531 -11.942 3.484 181 1HD LYS 20 H LYS 20 5.612 -12.819 5.735 182 2HD LYS 20 H LYS 20 3.835 -12.902 5.830 183 1HE LYS 20 H LYS 20 3.803 -14.610 4.056 184 2HE LYS 20 H LYS 20 5.569 -14.495 3.889 185 1HZ LYS 20 H LYS 20 4.133 -15.353 6.305 186 2HZ LYS 20 H LYS 20 4.917 -16.345 5.247 187 3HZ LYS 20 H LYS 20 5.771 -15.255 6.142 188 H TYR 21 H TYR 21 6.231 -8.633 3.652 189 HA TYR 21 HA TYR 21 8.700 -10.231 3.279 190 1HB TYR 21 HB2 TYR 21 7.410 -8.070 1.574 191 2HB TYR 21 HB1 TYR 21 8.849 -9.007 1.139 192 HD1 TYR 21 HD1 TYR 21 8.447 -11.698 1.445 193 HD2 TYR 21 HD2 TYR 21 5.403 -8.764 0.619 194 HE1 TYR 21 HE1 TYR 21 6.992 -13.472 0.495 195 HE2 TYR 21 HE2 TYR 21 3.959 -10.539 -0.342 196 HH TYR 21 HH TYR 21 4.994 -13.957 -0.518 197 H GLY 22 H GLY 22 8.141 -6.710 2.749 198 1HA GLY 22 HA2 GLY 22 9.550 -5.669 4.908 199 2HA GLY 22 HA1 GLY 22 10.784 -6.075 3.694 200 H GLU 23 H GLU 23 10.179 -3.417 4.581 201 HA GLU 23 HA GLU 23 8.473 -2.098 2.656 202 1HB GLU 23 H GLU 23 9.049 -1.299 5.004 203 2HB GLU 23 H GLU 23 10.668 -0.889 4.391 204 1HG GLU 23 H GLU 23 9.729 0.670 2.778 205 2HG GLU 23 H GLU 23 8.078 0.145 3.166 206 H GLY 24 H GLY 24 9.127 -0.768 0.888 207 1HA GLY 24 HA2 GLY 24 10.715 0.138 -0.622 208 2HA GLY 24 HA1 GLY 24 11.958 -0.949 0.026 209 H ASN 25 H ASN 25 10.322 -3.372 -0.053 210 HA ASN 25 HA ASN 25 10.738 -4.027 -2.870 211 1HB ASN 25 HB2 ASN 25 11.329 -5.479 -0.854 212 2HB ASN 25 HB1 ASN 25 9.589 -5.781 -0.666 213 1HD2 ASN 25 HD22 ASN 25 11.010 -8.563 -2.707 214 2HD2 ASN 25 HD21 ASN 25 11.191 -7.947 -1.080 215 H TRP 26 H TRP 26 8.966 -2.218 -3.237 216 HA TRP 26 HA TRP 26 6.216 -2.843 -2.786 217 1HB TRP 26 HB2 TRP 26 7.204 -1.240 -5.140 218 2HB TRP 26 HB1 TRP 26 5.768 -0.984 -4.140 219 HD1 TRP 26 HD1 TRP 26 9.016 0.427 -4.744 220 HE1 TRP 26 HE1 TRP 26 9.847 1.950 -2.845 221 HE3 TRP 26 HE3 TRP 26 5.715 -0.972 -1.086 222 HZ2 TRP 26 HZ2 TRP 26 9.177 2.477 -0.127 223 HZ3 TRP 26 HZ3 TRP 26 5.850 0.079 1.159 224 HH2 TRP 26 HH2 TRP 26 7.574 1.803 1.636 225 H SER 27 H SER 27 8.525 -3.684 -5.360 226 HA SER 27 HA SER 27 6.703 -4.521 -7.343 227 1HB SER 27 HB1 SER 27 8.700 -5.986 -8.048 228 2HB SER 27 HB2 SER 27 8.987 -4.233 -7.936 229 HG SER 27 HG SER 27 10.613 -5.491 -6.888 230 H LYS 28 H LYS 28 8.489 -6.586 -4.943 231 HA LYS 28 HA LYS 28 7.169 -8.986 -5.618 232 1HB LYS 28 H LYS 28 9.244 -8.725 -4.215 233 2HB LYS 28 H LYS 28 8.204 -8.200 -2.866 234 1HG LYS 28 H LYS 28 7.017 -10.333 -2.893 235 2HG LYS 28 H LYS 28 7.893 -10.846 -4.354 236 1HD LYS 28 H LYS 28 10.045 -10.651 -3.052 237 2HD LYS 28 H LYS 28 9.077 -10.320 -1.593 238 1HE LYS 28 H LYS 28 7.884 -12.500 -1.952 239 2HE LYS 28 H LYS 28 8.961 -12.831 -3.325 240 1HZ LYS 28 H LYS 28 10.810 -12.726 -1.814 241 2HZ LYS 28 H LYS 28 9.807 -12.428 -0.540 242 3HZ LYS 28 H LYS 28 9.731 -13.874 -1.329 243 H ILE 29 H ILE 29 6.322 -6.506 -3.131 244 HA ILE 29 HA ILE 29 4.123 -7.861 -2.000 245 HB ILE 29 HB ILE 29 4.729 -4.904 -2.396 246 1HG1 ILE 29 HG11 ILE 29 4.698 -6.582 0.146 247 2HG1 ILE 29 HG12 ILE 29 6.143 -6.449 -0.879 248 1HG2 ILE 29 HG21 ILE 29 2.457 -6.241 -0.854 249 2HG2 ILE 29 HG23 ILE 29 2.935 -4.540 -0.652 250 3HG2 ILE 29 HG22 ILE 29 2.301 -5.101 -2.212 251 1HD1 ILE 29 HD13 ILE 29 5.959 -3.926 -0.665 252 2HD1 ILE 29 HD11 ILE 29 4.681 -4.187 0.544 253 3HD1 ILE 29 HD12 ILE 29 6.328 -4.775 0.853 254 H LEU 30 H LEU 30 4.181 -5.497 -4.735 255 HA LEU 30 HA LEU 30 1.418 -5.626 -5.334 256 1HB LEU 30 HB1 LEU 30 3.036 -3.906 -6.135 257 2HB LEU 30 HB2 LEU 30 3.779 -5.118 -7.200 258 HG LEU 30 HG LEU 30 0.818 -4.875 -7.454 259 1HD1 LEU 30 HD12 LEU 30 2.693 -2.625 -8.310 260 2HD1 LEU 30 HD11 LEU 30 0.993 -2.788 -8.807 261 3HD1 LEU 30 HD13 LEU 30 1.397 -2.509 -7.097 262 1HD2 LEU 30 HD23 LEU 30 2.250 -6.272 -8.952 263 2HD2 LEU 30 HD21 LEU 30 1.397 -5.000 -9.852 264 3HD2 LEU 30 HD22 LEU 30 3.123 -4.810 -9.460 265 H LEU 31 H LEU 31 4.144 -7.716 -6.297 266 HA LEU 31 HA LEU 31 2.831 -9.080 -8.422 267 1HB LEU 31 HB2 LEU 31 5.352 -8.979 -7.645 268 2HB LEU 31 HB1 LEU 31 4.906 -10.383 -6.653 269 HG LEU 31 HG LEU 31 3.887 -11.322 -8.889 270 1HD1 LEU 31 HD11 LEU 31 5.885 -9.261 -9.933 271 2HD1 LEU 31 HD13 LEU 31 5.085 -10.516 -10.907 272 3HD1 LEU 31 HD12 LEU 31 4.123 -9.212 -10.178 273 1HD2 LEU 31 HD22 LEU 31 6.895 -11.045 -8.463 274 2HD2 LEU 31 HD21 LEU 31 5.841 -12.282 -7.736 275 3HD2 LEU 31 HD23 LEU 31 6.109 -12.265 -9.495 276 H HIS 32 H HIS 32 2.383 -9.304 -4.952 277 HA HIS 32 HA HIS 32 0.998 -11.938 -5.305 278 1HB HIS 32 HB2 HIS 32 2.176 -10.700 -2.792 279 2HB HIS 32 HB1 HIS 32 1.438 -12.307 -2.933 280 HD1 HIS 32 HD1 HIS 32 2.760 -13.507 -5.380 281 HD2 HIS 32 HD2 HIS 32 4.867 -11.171 -2.624 282 HE1 HIS 32 HE1 HIS 32 5.227 -14.093 -5.597 283 H TYR 33 H TYR 33 0.859 -8.866 -3.411 284 HA TYR 33 HA TYR 33 -1.918 -9.313 -2.681 285 1HB TYR 33 HB2 TYR 33 0.047 -7.017 -2.359 286 2HB TYR 33 HB1 TYR 33 -1.628 -6.918 -1.805 287 HD1 TYR 33 HD2 TYR 33 1.580 -8.766 -1.346 288 HD2 TYR 33 HD1 TYR 33 -2.349 -7.961 0.214 289 HE1 TYR 33 HE2 TYR 33 2.187 -9.893 0.780 290 HE2 TYR 33 HE1 TYR 33 -1.734 -9.078 2.344 291 HH TYR 33 HH TYR 33 0.004 -9.981 3.590 292 H LYS 34 H LYS 34 -3.066 -6.789 -2.979 293 HA LYS 34 HA LYS 34 -3.910 -6.897 -5.749 294 1HB LYS 34 H LYS 34 -4.615 -4.886 -3.573 295 2HB LYS 34 H LYS 34 -5.525 -5.218 -5.069 296 1HG LYS 34 H LYS 34 -5.705 -7.651 -4.235 297 2HG LYS 34 H LYS 34 -5.138 -7.039 -2.662 298 1HD LYS 34 H LYS 34 -7.025 -5.358 -2.710 299 2HD LYS 34 H LYS 34 -7.629 -6.157 -4.183 300 1HE LYS 34 H LYS 34 -7.621 -8.340 -2.836 301 2HE LYS 34 H LYS 34 -7.347 -7.341 -1.392 302 1HZ LYS 34 H LYS 34 -9.378 -6.143 -1.968 303 2HZ LYS 34 H LYS 34 -9.642 -7.189 -3.218 304 3HZ LYS 34 H LYS 34 -9.647 -7.746 -1.668 305 H PHE 35 H PHE 35 -4.242 -3.775 -5.318 306 HA PHE 35 HA PHE 35 -3.203 -1.850 -5.965 307 1HB PHE 35 HB2 PHE 35 -0.547 -3.315 -5.890 308 2HB PHE 35 HB1 PHE 35 -0.840 -1.578 -5.789 309 HD1 PHE 35 HD1 PHE 35 -2.748 -1.065 -3.815 310 HD2 PHE 35 HD2 PHE 35 0.152 -4.254 -3.866 311 HE1 PHE 35 HE1 PHE 35 -2.874 -1.229 -1.346 312 HE2 PHE 35 HE2 PHE 35 0.017 -4.410 -1.394 313 HZ PHE 35 HZ PHE 35 -1.497 -2.894 -0.147 314 H ASN 36 H ASN 36 -4.242 -1.895 -7.933 315 HA ASN 36 HA ASN 36 -2.829 -3.169 -10.216 316 1HB ASN 36 HB2 ASN 36 -5.634 -2.057 -9.824 317 2HB ASN 36 HB1 ASN 36 -4.992 -2.531 -11.412 318 1HD2 ASN 36 HD21 ASN 36 -5.852 -5.422 -8.557 319 2HD2 ASN 36 HD22 ASN 36 -5.613 -3.755 -8.086 320 H ASN 37 H ASN 37 -4.588 -0.082 -9.513 321 HA ASN 37 HA ASN 37 -2.897 1.293 -11.505 322 1HB ASN 37 HB2 ASN 37 -5.414 1.558 -11.386 323 2HB ASN 37 HB1 ASN 37 -5.195 2.370 -9.822 324 1HD2 ASN 37 HD21 ASN 37 -5.167 5.373 -11.719 325 2HD2 ASN 37 HD22 ASN 37 -6.067 4.350 -10.622 326 H ARG 38 H ARG 38 -1.583 0.316 -9.114 327 HA ARG 38 HA ARG 38 -0.557 2.893 -8.088 328 1HB ARG 38 H ARG 38 -1.259 0.553 -6.270 329 2HB ARG 38 H ARG 38 -0.597 2.127 -5.785 330 1HG ARG 38 H ARG 38 -2.715 3.158 -6.840 331 2HG ARG 38 H ARG 38 -3.366 1.500 -6.866 332 1HD ARG 38 H ARG 38 -2.491 1.535 -4.327 333 2HD ARG 38 H ARG 38 -2.731 3.281 -4.532 334 HE ARG 38 H ARG 38 -4.775 1.232 -4.275 335 1HH1 ARG 38 H ARG 38 -4.055 4.368 -5.765 336 2HH1 ARG 38 H ARG 38 -5.716 4.907 -5.746 337 1HH2 ARG 38 H ARG 38 -6.952 1.973 -4.190 338 2HH2 ARG 38 H ARG 38 -7.389 3.463 -5.008 339 H THR 39 H THR 39 1.659 2.877 -8.093 340 HA THR 39 HA THR 39 3.047 0.265 -7.969 341 HB THR 39 HB THR 39 3.546 2.277 -10.205 342 HG1 THR 39 HG1 THR 39 2.489 0.723 -11.497 343 1HG2 THR 39 HG21 THR 39 4.495 -0.577 -9.672 344 2HG2 THR 39 HG23 THR 39 4.795 0.324 -11.177 345 3HG2 THR 39 HG22 THR 39 5.492 0.897 -9.646 346 H SER 40 H SER 40 5.061 0.352 -7.132 347 HA SER 40 HA SER 40 6.580 1.164 -5.594 348 1HB SER 40 HB2 SER 40 8.235 2.624 -6.811 349 2HB SER 40 HB1 SER 40 7.743 1.161 -7.695 350 HG SER 40 HG SER 40 7.674 2.977 -9.048 351 H VAL 41 H VAL 41 6.487 4.331 -7.148 352 HA VAL 41 HA VAL 41 6.792 5.787 -4.821 353 HB VAL 41 HB VAL 41 5.983 7.746 -6.143 354 1HG1 VAL 41 HG12 VAL 41 8.301 6.826 -6.362 355 2HG1 VAL 41 HG11 VAL 41 7.747 5.823 -7.725 356 3HG1 VAL 41 HG13 VAL 41 7.721 7.597 -7.857 357 1HG2 VAL 41 HG21 VAL 41 5.253 5.597 -8.187 358 2HG2 VAL 41 HG22 VAL 41 4.142 6.733 -7.389 359 3HG2 VAL 41 HG23 VAL 41 5.353 7.336 -8.538 360 H MET 42 H MET 42 3.666 4.784 -6.308 361 HA MET 42 HA MET 42 2.048 6.406 -4.589 362 1HB MET 42 HB1 MET 42 1.444 3.834 -6.107 363 2HB MET 42 HB2 MET 42 0.220 4.846 -5.302 364 1HG MET 42 HG2 MET 42 1.221 6.801 -6.683 365 2HG MET 42 HG1 MET 42 1.997 5.543 -7.658 366 1HE MET 42 HE1 MET 42 0.130 7.789 -8.847 367 2HE MET 42 HE3 MET 42 0.899 6.514 -9.823 368 3HE MET 42 HE2 MET 42 -0.842 6.841 -9.998 369 H LEU 43 H LEU 43 3.113 2.967 -4.385 370 HA LEU 43 HA LEU 43 1.723 2.388 -1.963 371 1HB LEU 43 HB2 LEU 43 4.096 1.175 -3.411 372 2HB LEU 43 HB1 LEU 43 3.612 0.584 -1.808 373 HG LEU 43 HG LEU 43 1.214 0.395 -2.820 374 1HD1 LEU 43 HD13 LEU 43 2.928 0.599 -5.330 375 2HD1 LEU 43 HD11 LEU 43 1.293 -0.100 -5.303 376 3HD1 LEU 43 HD12 LEU 43 1.534 1.610 -4.892 377 1HD2 LEU 43 HD23 LEU 43 2.660 -1.530 -2.222 378 2HD2 LEU 43 HD21 LEU 43 1.726 -1.853 -3.700 379 3HD2 LEU 43 HD22 LEU 43 3.449 -1.425 -3.813 380 H LYS 44 H LYS 44 5.050 3.534 -2.642 381 HA LYS 44 HA LYS 44 6.013 3.489 0.019 382 1HB LYS 44 H LYS 44 7.402 3.712 -2.030 383 2HB LYS 44 H LYS 44 6.731 5.331 -2.302 384 1HG LYS 44 H LYS 44 7.803 4.969 0.429 385 2HG LYS 44 H LYS 44 9.031 4.743 -0.833 386 1HD LYS 44 H LYS 44 7.146 7.137 -0.813 387 2HD LYS 44 H LYS 44 8.702 7.149 0.043 388 1HE LYS 44 H LYS 44 8.438 6.477 -2.920 389 2HE LYS 44 H LYS 44 8.734 8.121 -2.318 390 1HZ LYS 44 H LYS 44 10.722 7.302 -1.266 391 2HZ LYS 44 H LYS 44 10.454 5.785 -1.855 392 3HZ LYS 44 H LYS 44 10.761 7.030 -2.892 393 H ASP 45 H ASP 45 4.566 6.181 -1.889 394 HA ASP 45 HA ASP 45 4.806 8.158 0.112 395 1HB ASP 45 H ASP 45 4.378 8.598 -2.277 396 2HB ASP 45 H ASP 45 2.761 7.879 -2.126 397 H ARG 46 H ARG 46 2.190 5.750 -0.493 398 HA ARG 46 HA ARG 46 0.462 7.021 1.481 399 1HB ARG 46 H ARG 46 -0.103 5.536 -0.667 400 2HB ARG 46 H ARG 46 0.022 4.216 0.513 401 1HG ARG 46 H ARG 46 -2.206 4.749 0.813 402 2HG ARG 46 H ARG 46 -1.500 5.887 1.974 403 1HD ARG 46 H ARG 46 -2.013 6.642 -0.927 404 2HD ARG 46 H ARG 46 -3.249 6.820 0.325 405 HE ARG 46 H ARG 46 -1.958 8.506 1.390 406 1HH1 ARG 46 H ARG 46 -0.424 7.323 -1.603 407 2HH1 ARG 46 H ARG 46 0.639 8.709 -1.743 408 1HH2 ARG 46 H ARG 46 -0.556 10.321 1.139 409 2HH2 ARG 46 H ARG 46 0.609 10.359 -0.174 410 H TRP 47 H TRP 47 2.601 4.152 1.334 411 HA TRP 47 HA TRP 47 1.890 3.001 3.789 412 1HB TRP 47 HB1 TRP 47 3.307 1.901 2.158 413 2HB TRP 47 HB2 TRP 47 4.564 3.125 2.374 414 HD1 TRP 47 HD1 TRP 47 6.473 1.981 3.507 415 HE1 TRP 47 HE1 TRP 47 6.875 0.474 5.552 416 HE3 TRP 47 HE3 TRP 47 1.605 1.203 4.887 417 HZ2 TRP 47 HZ2 TRP 47 5.293 -0.871 7.508 418 HZ3 TRP 47 HZ3 TRP 47 1.097 -0.184 6.868 419 HH2 TRP 47 HH2 TRP 47 2.930 -1.228 8.182 420 H ARG 48 H ARG 48 4.174 5.654 3.046 421 HA ARG 48 HA ARG 48 5.411 5.953 5.533 422 1HB ARG 48 H ARG 48 6.000 7.195 3.476 423 2HB ARG 48 H ARG 48 4.485 8.120 3.597 424 1HG ARG 48 H ARG 48 5.182 9.126 5.690 425 2HG ARG 48 H ARG 48 6.596 8.051 5.798 426 1HD ARG 48 H ARG 48 6.137 10.028 3.524 427 2HD ARG 48 H ARG 48 7.098 10.405 4.967 428 HE ARG 48 H ARG 48 7.878 8.736 2.706 429 1HH1 ARG 48 H ARG 48 8.398 9.401 6.152 430 2HH1 ARG 48 H ARG 48 10.021 8.755 6.169 431 1HH2 ARG 48 H ARG 48 10.006 7.844 2.754 432 2HH2 ARG 48 H ARG 48 10.933 7.857 4.235 433 H THR 49 H THR 49 2.211 7.171 4.432 434 HA THR 49 HA THR 49 1.691 8.545 6.941 435 HB THR 49 HB THR 49 -0.238 7.772 4.711 436 HG1 THR 49 HG1 THR 49 0.286 9.902 3.970 437 1HG2 THR 49 HG21 THR 49 -0.257 9.968 6.833 438 2HG2 THR 49 HG22 THR 49 -1.457 9.789 5.532 439 3HG2 THR 49 HG23 THR 49 -1.319 8.539 6.791 440 H MET 50 H MET 50 0.579 5.492 5.368 441 HA MET 50 HA MET 50 -1.327 4.697 7.262 442 1HB MET 50 HB2 MET 50 0.349 3.401 5.189 443 2HB MET 50 HB1 MET 50 -0.207 2.311 6.473 444 1HG MET 50 HG2 MET 50 -1.838 2.355 4.659 445 2HG MET 50 HG1 MET 50 -2.529 3.084 6.116 446 1HE MET 50 HE2 MET 50 -4.495 3.973 4.624 447 2HE MET 50 HE3 MET 50 -4.277 4.998 3.186 448 3HE MET 50 HE1 MET 50 -3.742 3.301 3.158 449 H LYS 51 H LYS 51 2.247 4.407 7.405 450 HA LYS 51 HA LYS 51 2.376 2.638 9.629 451 1HB LYS 51 H LYS 51 4.208 4.735 8.449 452 2HB LYS 51 H LYS 51 4.622 3.962 9.998 453 1HG LYS 51 H LYS 51 4.302 1.718 8.894 454 2HG LYS 51 H LYS 51 4.089 2.559 7.345 455 1HD LYS 51 H LYS 51 6.545 2.977 9.096 456 2HD LYS 51 H LYS 51 6.455 1.676 7.887 457 1HE LYS 51 H LYS 51 5.839 3.476 6.177 458 2HE LYS 51 H LYS 51 6.285 4.677 7.408 459 1HZ LYS 51 H LYS 51 8.068 2.549 6.431 460 2HZ LYS 51 H LYS 51 8.080 4.106 5.881 461 3HZ LYS 51 H LYS 51 8.464 3.786 7.451 462 H LYS 52 H LYS 52 1.878 6.164 9.393 463 HA LYS 52 HA LYS 52 1.728 6.337 12.366 464 1HB LYS 52 H LYS 52 1.916 8.475 10.199 465 2HB LYS 52 H LYS 52 1.806 8.790 11.947 466 1HG LYS 52 H LYS 52 3.919 7.670 12.357 467 2HG LYS 52 H LYS 52 3.997 7.095 10.676 468 1HD LYS 52 H LYS 52 5.471 9.042 10.983 469 2HD LYS 52 H LYS 52 4.142 9.441 9.873 470 1HE LYS 52 H LYS 52 3.717 9.975 12.804 471 2HE LYS 52 H LYS 52 4.841 11.038 11.934 472 1HZ LYS 52 H LYS 52 2.064 10.503 11.135 473 2HZ LYS 52 H LYS 52 2.595 11.863 11.900 474 3HZ LYS 52 H LYS 52 3.114 11.519 10.374 475 H LEU 53 H LEU 53 -0.321 5.029 10.658 476 HA LEU 53 HA LEU 53 -2.535 5.216 9.986 477 1HB LEU 53 HB2 LEU 53 -3.986 5.241 11.971 478 2HB LEU 53 HB1 LEU 53 -2.533 4.260 12.237 479 HG LEU 53 HG LEU 53 -2.280 7.119 13.052 480 1HD1 LEU 53 HD12 LEU 53 -4.115 5.185 14.522 481 2HD1 LEU 53 HD11 LEU 53 -3.548 6.748 15.156 482 3HD1 LEU 53 HD13 LEU 53 -4.605 6.700 13.725 483 1HD2 LEU 53 HD23 LEU 53 -0.555 5.335 13.463 484 2HD2 LEU 53 HD21 LEU 53 -1.136 6.095 14.961 485 3HD2 LEU 53 HD22 LEU 53 -1.731 4.485 14.489 No H/Q in entry = 485 Start of MODEL 13 1 1H ARG 1 H3 ARG 1 -18.297 3.885 -3.709 2 2H ARG 1 H1 ARG 1 -17.661 2.851 -4.826 3 3H ARG 1 H2 ARG 1 -19.159 2.567 -4.198 4 HA ARG 1 HA ARG 1 -18.266 2.195 -2.034 5 1HB ARG 1 H ARG 1 -18.510 0.332 -3.731 6 2HB ARG 1 H ARG 1 -16.785 0.529 -4.112 7 1HG ARG 1 H ARG 1 -16.151 -0.044 -1.840 8 2HG ARG 1 H ARG 1 -17.845 0.012 -1.298 9 1HD ARG 1 H ARG 1 -18.376 -1.861 -2.864 10 2HD ARG 1 H ARG 1 -16.660 -1.956 -3.305 11 HE ARG 1 H ARG 1 -17.920 -2.826 -0.783 12 1HH1 ARG 1 H ARG 1 -14.878 -1.980 -2.407 13 2HH1 ARG 1 H ARG 1 -13.907 -3.068 -1.429 14 1HH2 ARG 1 H ARG 1 -16.607 -4.231 0.502 15 2HH2 ARG 1 H ARG 1 -14.876 -4.320 0.215 16 H LYS 2 H LYS 2 -17.097 4.085 -1.364 17 HA LYS 2 HA LYS 2 -15.269 5.316 -0.800 18 1HB LYS 2 H LYS 2 -14.362 2.458 -0.608 19 2HB LYS 2 H LYS 2 -13.130 3.730 -0.459 20 1HG LYS 2 H LYS 2 -15.705 3.950 1.106 21 2HG LYS 2 H LYS 2 -14.384 2.918 1.701 22 1HD LYS 2 H LYS 2 -13.860 5.787 0.835 23 2HD LYS 2 H LYS 2 -14.430 5.414 2.480 24 1HE LYS 2 H LYS 2 -12.445 4.410 3.093 25 2HE LYS 2 H LYS 2 -12.138 3.771 1.468 26 1HZ LYS 2 H LYS 2 -11.828 6.588 2.238 27 2HZ LYS 2 H LYS 2 -10.600 5.498 2.116 28 3HZ LYS 2 H LYS 2 -11.450 5.926 0.770 29 H ARG 3 H ARG 3 -12.841 3.296 -2.262 30 HA ARG 3 HA ARG 3 -11.496 3.529 -4.077 31 1HB ARG 3 H ARG 3 -12.557 3.789 -6.030 32 2HB ARG 3 H ARG 3 -14.020 4.185 -5.118 33 1HG ARG 3 H ARG 3 -13.740 5.960 -6.676 34 2HG ARG 3 H ARG 3 -13.198 6.631 -5.132 35 1HD ARG 3 H ARG 3 -11.107 6.989 -5.948 36 2HD ARG 3 H ARG 3 -10.987 5.312 -6.519 37 HE ARG 3 H ARG 3 -11.461 6.037 -8.654 38 1HH1 ARG 3 H ARG 3 -12.591 8.458 -6.327 39 2HH1 ARG 3 H ARG 3 -12.995 9.643 -7.547 40 1HH2 ARG 3 H ARG 3 -12.015 7.599 -10.262 41 2HH2 ARG 3 H ARG 3 -12.687 9.143 -9.793 42 H GLN 4 H GLN 4 -12.918 6.593 -2.842 43 HA GLN 4 HA GLN 4 -10.662 8.218 -3.563 44 1HB GLN 4 HB2 GLN 4 -12.858 8.577 -1.475 45 2HB GLN 4 HB1 GLN 4 -11.707 9.840 -1.975 46 1HG GLN 4 HG2 GLN 4 -12.514 9.553 -4.345 47 2HG GLN 4 HG1 GLN 4 -13.752 8.429 -3.745 48 1HE2 GLN 4 HE21 GLN 4 -15.588 11.023 -1.952 49 2HE2 GLN 4 HE22 GLN 4 -15.017 9.383 -1.739 50 H ALA 5 H ALA 5 -8.720 8.347 -2.620 51 HA ALA 5 HA ALA 5 -6.989 7.961 -1.186 52 1HB ALA 5 HB1 ALA 5 -8.278 9.674 0.097 53 2HB ALA 5 HB2 ALA 5 -9.115 8.364 0.961 54 3HB ALA 5 HB3 ALA 5 -7.358 8.570 1.146 55 H TRP 6 H TRP 6 -7.783 5.642 -2.249 56 HA TRP 6 HA TRP 6 -7.718 3.370 -1.994 57 1HB TRP 6 HB2 TRP 6 -6.387 4.234 0.600 58 2HB TRP 6 HB1 TRP 6 -6.536 2.547 0.123 59 HD1 TRP 6 HD1 TRP 6 -5.331 5.630 -1.889 60 HE1 TRP 6 HE1 TRP 6 -3.033 5.107 -2.930 61 HE3 TRP 6 HE3 TRP 6 -4.648 0.924 0.000 62 HZ2 TRP 6 HZ2 TRP 6 -1.164 2.947 -2.922 63 HZ3 TRP 6 HZ3 TRP 6 -2.588 -0.338 -0.548 64 HH2 TRP 6 HH2 TRP 6 -0.847 0.664 -1.999 65 H LEU 7 H LEU 7 -8.178 1.555 -0.069 66 HA LEU 7 HA LEU 7 -10.500 2.354 1.537 67 1HB LEU 7 HB2 LEU 7 -11.813 0.372 0.668 68 2HB LEU 7 HB1 LEU 7 -11.663 1.732 -0.463 69 HG LEU 7 HG LEU 7 -9.494 -0.292 -0.685 70 1HD1 LEU 7 HD12 LEU 7 -11.456 -1.742 -0.173 71 2HD1 LEU 7 HD13 LEU 7 -12.355 -0.967 -1.497 72 3HD1 LEU 7 HD11 LEU 7 -10.906 -1.936 -1.855 73 1HD2 LEU 7 HD21 LEU 7 -11.421 0.991 -2.678 74 2HD2 LEU 7 HD23 LEU 7 -9.803 1.604 -2.269 75 3HD2 LEU 7 HD22 LEU 7 -9.977 0.041 -3.095 76 H TRP 8 H TRP 8 -11.059 0.724 3.129 77 HA TRP 8 HA TRP 8 -8.941 -0.063 4.661 78 1HB TRP 8 HB1 TRP 8 -10.502 -1.535 5.836 79 2HB TRP 8 HB2 TRP 8 -11.233 0.025 5.444 80 HD1 TRP 8 HD1 TRP 8 -13.030 0.017 3.406 81 HE1 TRP 8 HE1 TRP 8 -14.718 -1.769 2.635 82 HE3 TRP 8 HE3 TRP 8 -10.911 -4.090 5.608 83 HZ2 TRP 8 HZ2 TRP 8 -15.091 -4.584 2.942 84 HZ3 TRP 8 HZ3 TRP 8 -11.971 -6.317 5.343 85 HH2 TRP 8 HH2 TRP 8 -14.055 -6.571 4.016 86 H GLU 9 H GLU 9 -10.503 -2.114 2.126 87 HA GLU 9 HA GLU 9 -9.159 -4.516 2.763 88 1HB GLU 9 H GLU 9 -10.058 -3.492 0.037 89 2HB GLU 9 H GLU 9 -9.673 -5.180 0.441 90 1HG GLU 9 H GLU 9 -11.457 -5.107 2.208 91 2HG GLU 9 H GLU 9 -11.897 -3.483 1.642 92 H GLU 10 H GLU 10 -8.196 -1.839 0.556 93 HA GLU 10 HA GLU 10 -5.760 -3.168 -0.258 94 1HB GLU 10 H GLU 10 -6.683 -0.273 -0.466 95 2HB GLU 10 H GLU 10 -5.248 -0.950 -1.270 96 1HG GLU 10 H GLU 10 -6.700 -2.606 -2.434 97 2HG GLU 10 H GLU 10 -8.127 -1.867 -1.678 98 H ASP 11 H ASP 11 -6.634 -0.668 2.160 99 HA ASP 11 HA ASP 11 -3.988 0.063 2.872 100 1HB ASP 11 H ASP 11 -6.567 0.066 4.488 101 2HB ASP 11 H ASP 11 -5.066 0.881 4.974 102 H LYS 12 H LYS 12 -6.219 -2.352 4.445 103 HA LYS 12 HA LYS 12 -4.247 -3.156 6.358 104 1HB LYS 12 H LYS 12 -5.745 -5.034 6.838 105 2HB LYS 12 H LYS 12 -6.656 -3.518 6.696 106 1HG LYS 12 H LYS 12 -8.007 -4.699 5.307 107 2HG LYS 12 H LYS 12 -6.733 -4.438 4.102 108 1HD LYS 12 H LYS 12 -5.706 -6.590 4.647 109 2HD LYS 12 H LYS 12 -6.858 -6.834 5.981 110 1HE LYS 12 H LYS 12 -8.712 -7.031 4.471 111 2HE LYS 12 H LYS 12 -7.749 -6.439 3.101 112 1HZ LYS 12 H LYS 12 -7.235 -8.947 4.536 113 2HZ LYS 12 H LYS 12 -8.045 -8.828 3.103 114 3HZ LYS 12 H LYS 12 -6.450 -8.400 3.187 115 H ASN 13 H ASN 13 -4.940 -4.194 3.013 116 HA ASN 13 HA ASN 13 -3.339 -6.576 3.070 117 1HB ASN 13 HB2 ASN 13 -4.352 -4.698 0.926 118 2HB ASN 13 HB1 ASN 13 -3.165 -5.945 0.512 119 1HD2 ASN 13 HD21 ASN 13 -6.519 -7.404 -0.125 120 2HD2 ASN 13 HD22 ASN 13 -5.561 -6.080 -0.750 121 H LEU 14 H LEU 14 -2.652 -3.155 2.214 122 HA LEU 14 HA LEU 14 0.070 -3.522 1.499 123 1HB LEU 14 HB2 LEU 14 -1.431 -1.501 1.087 124 2HB LEU 14 HB1 LEU 14 -1.188 -1.067 2.791 125 HG LEU 14 HG LEU 14 1.348 -1.195 2.289 126 1HD1 LEU 14 HD12 LEU 14 0.183 -1.196 -0.530 127 2HD1 LEU 14 HD13 LEU 14 1.851 -0.702 -0.160 128 3HD1 LEU 14 HD11 LEU 14 1.325 -2.368 0.168 129 1HD2 LEU 14 HD22 LEU 14 -0.396 0.906 0.934 130 2HD2 LEU 14 HD21 LEU 14 0.153 0.925 2.627 131 3HD2 LEU 14 HD23 LEU 14 1.333 1.098 1.307 132 H ARG 15 H ARG 15 -1.482 -2.626 4.628 133 HA ARG 15 HA ARG 15 0.891 -2.359 6.137 134 1HB ARG 15 H ARG 15 -1.423 -1.685 6.836 135 2HB ARG 15 H ARG 15 -1.819 -3.403 7.067 136 1HG ARG 15 H ARG 15 -0.129 -3.629 8.797 137 2HG ARG 15 H ARG 15 0.496 -1.998 8.464 138 1HD ARG 15 H ARG 15 -1.798 -1.093 9.076 139 2HD ARG 15 H ARG 15 -2.236 -2.733 9.592 140 HE ARG 15 H ARG 15 -0.959 -2.471 11.511 141 1HH1 ARG 15 H ARG 15 -0.128 0.059 9.168 142 2HH1 ARG 15 H ARG 15 0.806 0.998 10.308 143 1HH2 ARG 15 H ARG 15 0.281 -1.229 13.007 144 2HH2 ARG 15 H ARG 15 1.055 0.253 12.493 145 H SER 16 H SER 16 -1.125 -5.239 5.394 146 HA SER 16 HA SER 16 0.651 -6.995 6.940 147 1HB SER 16 HB2 SER 16 -1.683 -7.674 5.104 148 2HB SER 16 HB1 SER 16 -0.940 -8.727 6.332 149 HG SER 16 HG SER 16 -2.403 -6.327 6.726 150 H GLY 17 H GLY 17 1.381 -5.445 4.249 151 1HA GLY 17 HA1 GLY 17 2.470 -7.847 2.833 152 2HA GLY 17 HA2 GLY 17 1.964 -6.355 2.016 153 H VAL 18 H VAL 18 3.016 -4.324 3.383 154 HA VAL 18 HA VAL 18 5.759 -4.359 2.667 155 HB VAL 18 HB VAL 18 4.226 -2.509 4.547 156 1HG1 VAL 18 HG13 VAL 18 6.963 -2.364 3.231 157 2HG1 VAL 18 HG12 VAL 18 6.095 -0.913 3.773 158 3HG1 VAL 18 HG11 VAL 18 6.557 -2.159 4.952 159 1HG2 VAL 18 HG23 VAL 18 3.300 -2.647 2.236 160 2HG2 VAL 18 HG21 VAL 18 4.054 -1.068 2.548 161 3HG2 VAL 18 HG22 VAL 18 4.913 -2.291 1.583 162 H ARG 19 H ARG 19 4.147 -4.610 5.886 163 HA ARG 19 HA ARG 19 6.633 -4.858 7.311 164 1HB ARG 19 H ARG 19 3.951 -4.445 7.958 165 2HB ARG 19 H ARG 19 4.266 -6.076 8.585 166 1HG ARG 19 H ARG 19 5.968 -3.599 9.159 167 2HG ARG 19 H ARG 19 4.756 -4.283 10.265 168 1HD ARG 19 H ARG 19 7.294 -5.651 9.277 169 2HD ARG 19 H ARG 19 6.980 -5.054 10.918 170 HE ARG 19 H ARG 19 4.912 -6.809 10.502 171 1HH1 ARG 19 H ARG 19 8.445 -7.014 10.304 172 2HH1 ARG 19 H ARG 19 8.498 -8.731 10.618 173 1HH2 ARG 19 H ARG 19 4.992 -9.082 10.893 174 2HH2 ARG 19 H ARG 19 6.530 -9.911 10.951 175 H LYS 20 H LYS 20 4.407 -7.145 5.729 176 HA LYS 20 HA LYS 20 5.412 -9.533 6.932 177 1HB LYS 20 H LYS 20 3.259 -9.370 5.723 178 2HB LYS 20 H LYS 20 4.129 -9.089 4.202 179 1HG LYS 20 H LYS 20 5.307 -11.315 4.570 180 2HG LYS 20 H LYS 20 4.204 -11.602 5.934 181 1HD LYS 20 H LYS 20 2.930 -10.783 3.345 182 2HD LYS 20 H LYS 20 3.685 -12.392 3.373 183 1HE LYS 20 H LYS 20 1.332 -12.571 4.024 184 2HE LYS 20 H LYS 20 2.373 -12.969 5.406 185 1HZ LYS 20 H LYS 20 1.161 -10.327 4.956 186 2HZ LYS 20 H LYS 20 0.514 -11.497 5.928 187 3HZ LYS 20 H LYS 20 1.977 -10.838 6.299 188 H TYR 21 H TYR 21 6.028 -8.224 3.601 189 HA TYR 21 HA TYR 21 8.344 -9.961 3.292 190 1HB TYR 21 HB2 TYR 21 7.207 -7.687 1.621 191 2HB TYR 21 HB1 TYR 21 8.599 -8.671 1.143 192 HD1 TYR 21 HD1 TYR 21 8.249 -11.238 0.972 193 HD2 TYR 21 HD2 TYR 21 5.015 -8.398 1.098 194 HE1 TYR 21 HE1 TYR 21 6.723 -12.924 -0.035 195 HE2 TYR 21 HE2 TYR 21 3.494 -10.080 0.092 196 HH TYR 21 HH TYR 21 4.607 -13.360 -0.804 197 H GLY 22 H GLY 22 8.123 -6.374 2.898 198 1HA GLY 22 HA2 GLY 22 9.696 -5.406 4.872 199 2HA GLY 22 HA1 GLY 22 10.907 -6.097 3.769 200 H GLU 23 H GLU 23 10.336 -3.247 4.507 201 HA GLU 23 HA GLU 23 9.073 -1.918 2.319 202 1HB GLU 23 H GLU 23 10.254 -1.227 4.802 203 2HB GLU 23 H GLU 23 11.218 -0.369 3.582 204 1HG GLU 23 H GLU 23 8.246 -0.279 3.224 205 2HG GLU 23 H GLU 23 8.891 0.588 4.624 206 H GLY 24 H GLY 24 9.734 -1.749 0.266 207 1HA GLY 24 HA2 GLY 24 11.607 -0.937 -1.179 208 2HA GLY 24 HA1 GLY 24 12.650 -2.090 -0.319 209 H ASN 25 H ASN 25 10.455 -4.131 -0.138 210 HA ASN 25 HA ASN 25 10.913 -5.395 -2.736 211 1HB ASN 25 HB1 ASN 25 9.241 -6.252 -0.331 212 2HB ASN 25 HB2 ASN 25 9.680 -7.278 -1.711 213 1HD2 ASN 25 HD21 ASN 25 12.335 -6.595 1.342 214 2HD2 ASN 25 HD22 ASN 25 10.768 -5.817 1.281 215 H TRP 26 H TRP 26 9.541 -2.988 -3.123 216 HA TRP 26 HA TRP 26 6.717 -3.175 -3.056 217 1HB TRP 26 HB2 TRP 26 8.591 -1.562 -4.813 218 2HB TRP 26 HB1 TRP 26 6.845 -1.290 -4.680 219 HD1 TRP 26 HD1 TRP 26 9.943 -0.028 -3.326 220 HE1 TRP 26 HE1 TRP 26 9.659 1.212 -1.097 221 HE3 TRP 26 HE3 TRP 26 5.214 -1.575 -2.148 222 HZ2 TRP 26 HZ2 TRP 26 7.644 1.515 0.902 223 HZ3 TRP 26 HZ3 TRP 26 4.145 -0.778 -0.060 224 HH2 TRP 26 HH2 TRP 26 5.349 0.759 1.466 225 H SER 27 H SER 27 9.107 -4.143 -5.537 226 HA SER 27 HA SER 27 7.290 -4.638 -7.649 227 1HB SER 27 HB1 SER 27 9.744 -4.581 -7.911 228 2HB SER 27 HB2 SER 27 9.894 -6.058 -6.928 229 HG SER 27 HG SER 27 8.473 -5.809 -9.379 230 H LYS 28 H LYS 28 8.568 -6.866 -5.106 231 HA LYS 28 HA LYS 28 7.013 -9.113 -5.935 232 1HB LYS 28 H LYS 28 8.449 -8.339 -3.376 233 2HB LYS 28 H LYS 28 7.548 -9.864 -3.514 234 1HG LYS 28 H LYS 28 9.580 -9.099 -5.627 235 2HG LYS 28 H LYS 28 10.108 -9.839 -4.097 236 1HD LYS 28 H LYS 28 8.639 -11.771 -4.482 237 2HD LYS 28 H LYS 28 8.011 -11.029 -5.973 238 1HE LYS 28 H LYS 28 10.298 -11.052 -6.940 239 2HE LYS 28 H LYS 28 10.911 -11.817 -5.458 240 1HZ LYS 28 H LYS 28 8.894 -12.958 -7.265 241 2HZ LYS 28 H LYS 28 10.476 -13.415 -7.172 242 3HZ LYS 28 H LYS 28 9.468 -13.669 -5.892 243 H ILE 29 H ILE 29 6.515 -6.655 -3.336 244 HA ILE 29 HA ILE 29 4.151 -7.695 -2.252 245 HB ILE 29 HB ILE 29 5.195 -4.859 -2.584 246 1HG1 ILE 29 HG11 ILE 29 4.817 -6.478 -0.043 247 2HG1 ILE 29 HG12 ILE 29 6.259 -6.699 -1.056 248 1HG2 ILE 29 HG23 ILE 29 2.685 -5.837 -1.153 249 2HG2 ILE 29 HG21 ILE 29 3.452 -4.265 -0.830 250 3HG2 ILE 29 HG22 ILE 29 2.788 -4.612 -2.439 251 1HD1 ILE 29 HD12 ILE 29 6.630 -4.188 -0.911 252 2HD1 ILE 29 HD13 ILE 29 5.327 -4.135 0.296 253 3HD1 ILE 29 HD11 ILE 29 6.809 -5.059 0.629 254 H LEU 30 H LEU 30 4.532 -5.368 -4.991 255 HA LEU 30 HA LEU 30 1.763 -5.068 -5.525 256 1HB LEU 30 HB1 LEU 30 3.495 -3.550 -6.382 257 2HB LEU 30 HB2 LEU 30 4.193 -4.860 -7.355 258 HG LEU 30 HG LEU 30 2.096 -5.018 -8.670 259 1HD1 LEU 30 HD13 LEU 30 1.208 -2.776 -6.807 260 2HD1 LEU 30 HD12 LEU 30 0.411 -3.122 -8.358 261 3HD1 LEU 30 HD11 LEU 30 0.417 -4.347 -7.072 262 1HD2 LEU 30 HD22 LEU 30 3.900 -3.473 -9.389 263 2HD2 LEU 30 HD23 LEU 30 2.294 -2.853 -9.837 264 3HD2 LEU 30 HD21 LEU 30 3.155 -2.167 -8.437 265 H LEU 31 H LEU 31 4.162 -7.480 -6.638 266 HA LEU 31 HA LEU 31 2.500 -8.648 -8.656 267 1HB LEU 31 HB2 LEU 31 5.015 -8.830 -8.428 268 2HB LEU 31 HB1 LEU 31 4.760 -9.948 -7.075 269 HG LEU 31 HG LEU 31 3.189 -10.622 -9.502 270 1HD1 LEU 31 HD12 LEU 31 6.236 -10.771 -9.535 271 2HD1 LEU 31 HD11 LEU 31 5.151 -11.531 -10.725 272 3HD1 LEU 31 HD13 LEU 31 5.225 -9.757 -10.593 273 1HD2 LEU 31 HD21 LEU 31 3.397 -12.086 -7.499 274 2HD2 LEU 31 HD23 LEU 31 4.042 -12.878 -8.954 275 3HD2 LEU 31 HD22 LEU 31 5.154 -12.177 -7.755 276 H HIS 32 H HIS 32 3.123 -9.501 -5.206 277 HA HIS 32 HA HIS 32 1.444 -11.866 -5.356 278 1HB HIS 32 HB2 HIS 32 2.733 -10.389 -3.032 279 2HB HIS 32 HB1 HIS 32 1.895 -11.948 -2.900 280 HD1 HIS 32 HD1 HIS 32 2.938 -13.777 -4.892 281 HD2 HIS 32 HD2 HIS 32 5.426 -10.816 -3.294 282 HE1 HIS 32 HE1 HIS 32 5.346 -14.500 -5.281 283 H TYR 33 H TYR 33 1.139 -8.706 -3.583 284 HA TYR 33 HA TYR 33 -1.582 -9.376 -2.803 285 1HB TYR 33 HB2 TYR 33 0.348 -7.151 -2.335 286 2HB TYR 33 HB1 TYR 33 -1.368 -6.750 -2.206 287 HD1 TYR 33 HD1 TYR 33 -2.831 -8.002 -0.597 288 HD2 TYR 33 HD2 TYR 33 1.451 -8.454 -0.633 289 HE1 TYR 33 HE1 TYR 33 -2.920 -9.001 1.675 290 HE2 TYR 33 HE2 TYR 33 1.360 -9.461 1.638 291 HH TYR 33 HH TYR 33 -1.730 -9.937 3.387 292 H LYS 34 H LYS 34 -3.149 -7.269 -3.103 293 HA LYS 34 HA LYS 34 -3.886 -7.430 -5.896 294 1HB LYS 34 H LYS 34 -5.090 -5.885 -3.570 295 2HB LYS 34 H LYS 34 -5.856 -6.144 -5.159 296 1HG LYS 34 H LYS 34 -5.660 -8.629 -4.775 297 2HG LYS 34 H LYS 34 -5.089 -8.284 -3.124 298 1HD LYS 34 H LYS 34 -7.199 -7.008 -2.694 299 2HD LYS 34 H LYS 34 -7.777 -7.454 -4.316 300 1HE LYS 34 H LYS 34 -6.991 -9.445 -2.138 301 2HE LYS 34 H LYS 34 -8.659 -8.952 -2.502 302 1HZ LYS 34 H LYS 34 -8.327 -9.793 -4.734 303 2HZ LYS 34 H LYS 34 -6.814 -10.314 -4.337 304 3HZ LYS 34 H LYS 34 -8.132 -10.975 -3.600 305 H PHE 35 H PHE 35 -4.893 -4.462 -5.022 306 HA PHE 35 HA PHE 35 -4.347 -2.303 -5.557 307 1HB PHE 35 HB2 PHE 35 -1.497 -3.124 -6.159 308 2HB PHE 35 HB1 PHE 35 -2.109 -1.554 -5.627 309 HD1 PHE 35 HD1 PHE 35 -3.704 -2.055 -3.290 310 HD2 PHE 35 HD2 PHE 35 -0.080 -4.020 -4.538 311 HE1 PHE 35 HE1 PHE 35 -3.221 -2.671 -0.937 312 HE2 PHE 35 HE2 PHE 35 0.400 -4.627 -2.179 313 HZ PHE 35 HZ PHE 35 -1.173 -3.957 -0.381 314 H ASN 36 H ASN 36 -3.079 -1.097 -7.601 315 HA ASN 36 HA ASN 36 -3.188 -2.693 -10.029 316 1HB ASN 36 HB2 ASN 36 -5.582 -2.442 -9.648 317 2HB ASN 36 HB1 ASN 36 -5.402 -0.696 -9.391 318 1HD2 ASN 36 HD22 ASN 36 -6.451 -0.458 -12.781 319 2HD2 ASN 36 HD21 ASN 36 -6.941 -0.325 -11.105 320 H ASN 37 H ASN 37 -4.225 0.683 -10.061 321 HA ASN 37 HA ASN 37 -1.814 1.400 -11.532 322 1HB ASN 37 HB1 ASN 37 -4.092 2.210 -12.140 323 2HB ASN 37 HB2 ASN 37 -4.176 3.090 -10.599 324 1HD2 ASN 37 HD21 ASN 37 -3.071 5.812 -12.658 325 2HD2 ASN 37 HD22 ASN 37 -4.477 5.026 -11.977 326 H ARG 38 H ARG 38 -0.537 0.725 -9.465 327 HA ARG 38 HA ARG 38 0.126 3.236 -8.043 328 1HB ARG 38 H ARG 38 -0.790 0.646 -6.766 329 2HB ARG 38 H ARG 38 0.375 1.695 -5.934 330 1HG ARG 38 H ARG 38 -1.386 2.857 -5.147 331 2HG ARG 38 H ARG 38 -1.615 3.479 -6.793 332 1HD ARG 38 H ARG 38 -3.221 1.805 -7.312 333 2HD ARG 38 H ARG 38 -2.750 0.814 -5.915 334 HE ARG 38 H ARG 38 -3.799 3.459 -5.230 335 1HH1 ARG 38 H ARG 38 -4.718 0.188 -6.167 336 2HH1 ARG 38 H ARG 38 -6.092 0.100 -5.084 337 1HH2 ARG 38 H ARG 38 -5.627 3.357 -3.795 338 2HH2 ARG 38 H ARG 38 -6.576 1.884 -3.689 339 H THR 39 H THR 39 2.124 3.421 -8.994 340 HA THR 39 HA THR 39 3.910 1.178 -9.332 341 HB THR 39 HB THR 39 5.013 3.949 -9.134 342 HG1 THR 39 HG1 THR 39 3.113 3.200 -11.110 343 1HG2 THR 39 HG22 THR 39 5.057 1.772 -11.273 344 2HG2 THR 39 HG23 THR 39 5.995 3.284 -11.322 345 3HG2 THR 39 HG21 THR 39 6.323 2.073 -10.062 346 H SER 40 H SER 40 6.262 1.540 -8.238 347 HA SER 40 HA SER 40 6.049 0.826 -5.556 348 1HB SER 40 HB1 SER 40 8.502 1.467 -5.462 349 2HB SER 40 HB2 SER 40 8.057 0.383 -6.801 350 HG SER 40 HG SER 40 8.536 3.177 -6.882 351 H VAL 41 H VAL 41 6.363 4.110 -6.974 352 HA VAL 41 HA VAL 41 6.875 5.408 -4.465 353 HB VAL 41 HB VAL 41 6.517 7.480 -5.668 354 1HG1 VAL 41 HG11 VAL 41 8.583 6.090 -6.121 355 2HG1 VAL 41 HG13 VAL 41 7.781 5.475 -7.585 356 3HG1 VAL 41 HG12 VAL 41 8.148 7.208 -7.435 357 1HG2 VAL 41 HG23 VAL 41 5.215 5.701 -7.762 358 2HG2 VAL 41 HG22 VAL 41 4.495 7.072 -6.887 359 3HG2 VAL 41 HG21 VAL 41 5.761 7.358 -8.100 360 H MET 42 H MET 42 3.852 4.588 -6.239 361 HA MET 42 HA MET 42 2.124 6.165 -4.563 362 1HB MET 42 HB1 MET 42 1.723 3.801 -6.418 363 2HB MET 42 HB2 MET 42 0.393 4.390 -5.403 364 1HG MET 42 HG1 MET 42 0.071 5.610 -7.349 365 2HG MET 42 HG2 MET 42 1.009 6.740 -6.364 366 1HE MET 42 HE3 MET 42 0.515 6.959 -9.504 367 2HE MET 42 HE2 MET 42 1.438 8.153 -8.561 368 3HE MET 42 HE1 MET 42 2.127 7.475 -10.055 369 H LEU 43 H LEU 43 3.148 2.716 -4.531 370 HA LEU 43 HA LEU 43 1.646 1.956 -2.241 371 1HB LEU 43 HB2 LEU 43 4.333 0.899 -3.230 372 2HB LEU 43 HB1 LEU 43 3.227 0.065 -2.119 373 HG LEU 43 HG LEU 43 2.536 0.860 -4.985 374 1HD1 LEU 43 HD12 LEU 43 4.272 -0.920 -4.837 375 2HD1 LEU 43 HD11 LEU 43 3.188 -1.866 -3.790 376 3HD1 LEU 43 HD13 LEU 43 2.734 -1.534 -5.478 377 1HD2 LEU 43 HD23 LEU 43 1.069 -0.674 -2.810 378 2HD2 LEU 43 HD21 LEU 43 0.518 0.761 -3.706 379 3HD2 LEU 43 HD22 LEU 43 0.640 -0.806 -4.532 380 H LYS 44 H LYS 44 4.985 3.266 -2.604 381 HA LYS 44 HA LYS 44 5.661 3.132 0.158 382 1HB LYS 44 H LYS 44 7.300 3.426 -1.691 383 2HB LYS 44 H LYS 44 6.662 5.064 -1.974 384 1HG LYS 44 H LYS 44 7.281 5.732 0.312 385 2HG LYS 44 H LYS 44 7.831 4.080 0.668 386 1HD LYS 44 H LYS 44 9.014 5.531 -1.702 387 2HD LYS 44 H LYS 44 9.563 5.973 -0.067 388 1HE LYS 44 H LYS 44 9.497 3.114 -1.101 389 2HE LYS 44 H LYS 44 10.930 4.153 -1.202 390 1HZ LYS 44 H LYS 44 9.560 3.568 1.329 391 2HZ LYS 44 H LYS 44 10.806 2.659 0.757 392 3HZ LYS 44 H LYS 44 11.042 4.252 1.113 393 H ASP 45 H ASP 45 4.132 5.725 -1.822 394 HA ASP 45 HA ASP 45 4.148 7.726 0.181 395 1HB ASP 45 H ASP 45 3.666 8.174 -2.183 396 2HB ASP 45 H ASP 45 2.166 7.230 -2.074 397 H ARG 46 H ARG 46 1.602 5.299 -0.678 398 HA ARG 46 HA ARG 46 -0.255 6.079 1.302 399 1HB ARG 46 H ARG 46 -0.715 4.515 -0.588 400 2HB ARG 46 H ARG 46 0.292 3.287 0.211 401 1HG ARG 46 H ARG 46 -2.002 2.799 0.782 402 2HG ARG 46 H ARG 46 -1.248 3.474 2.235 403 1HD ARG 46 H ARG 46 -2.512 5.452 0.391 404 2HD ARG 46 H ARG 46 -3.628 4.341 1.199 405 HE ARG 46 H ARG 46 -1.897 6.378 2.484 406 1HH1 ARG 46 H ARG 46 -4.088 3.605 2.926 407 2HH1 ARG 46 H ARG 46 -4.588 4.111 4.524 408 1HH2 ARG 46 H ARG 46 -2.709 7.090 4.531 409 2HH2 ARG 46 H ARG 46 -3.786 6.064 5.445 410 H TRP 47 H TRP 47 2.532 3.813 1.435 411 HA TRP 47 HA TRP 47 2.001 2.969 4.134 412 1HB TRP 47 HB2 TRP 47 3.290 1.653 2.499 413 2HB TRP 47 HB1 TRP 47 4.543 2.901 2.479 414 HD1 TRP 47 HD1 TRP 47 6.546 2.079 3.729 415 HE1 TRP 47 HE1 TRP 47 7.066 0.766 5.885 416 HE3 TRP 47 HE3 TRP 47 1.757 1.050 5.228 417 HZ2 TRP 47 HZ2 TRP 47 5.607 -0.534 7.962 418 HZ3 TRP 47 HZ3 TRP 47 1.368 -0.230 7.311 419 HH2 TRP 47 HH2 TRP 47 3.279 -1.028 8.679 420 H ARG 48 H ARG 48 3.719 5.718 2.695 421 HA ARG 48 HA ARG 48 5.382 6.386 4.902 422 1HB ARG 48 H ARG 48 5.594 7.304 2.594 423 2HB ARG 48 H ARG 48 4.091 8.219 2.840 424 1HG ARG 48 H ARG 48 5.153 9.366 4.802 425 2HG ARG 48 H ARG 48 6.675 8.516 4.432 426 1HD ARG 48 H ARG 48 6.798 9.575 2.246 427 2HD ARG 48 H ARG 48 5.177 10.278 2.447 428 HE ARG 48 H ARG 48 6.960 11.099 4.567 429 1HH1 ARG 48 H ARG 48 6.115 11.659 1.171 430 2HH1 ARG 48 H ARG 48 6.653 13.322 1.170 431 1HH2 ARG 48 H ARG 48 7.649 13.305 4.564 432 2HH2 ARG 48 H ARG 48 7.528 14.261 3.105 433 H THR 49 H THR 49 2.093 7.570 3.991 434 HA THR 49 HA THR 49 1.848 9.206 6.346 435 HB THR 49 HB THR 49 0.592 9.748 4.349 436 HG1 THR 49 HG1 THR 49 -0.379 10.107 6.430 437 1HG2 THR 49 HG21 THR 49 -0.665 6.998 4.712 438 2HG2 THR 49 HG22 THR 49 -1.307 8.252 3.626 439 3HG2 THR 49 HG23 THR 49 0.303 7.566 3.334 440 H MET 50 H MET 50 1.506 5.770 5.818 441 HA MET 50 HA MET 50 -0.311 5.392 8.099 442 1HB MET 50 HB1 MET 50 1.140 3.536 6.187 443 2HB MET 50 HB2 MET 50 0.245 2.933 7.599 444 1HG MET 50 HG2 MET 50 -1.814 3.882 6.811 445 2HG MET 50 HG1 MET 50 -0.982 4.809 5.556 446 1HE MET 50 HE1 MET 50 -2.371 1.387 6.721 447 2HE MET 50 HE2 MET 50 -1.748 0.251 5.502 448 3HE MET 50 HE3 MET 50 -0.633 1.009 6.660 449 H LYS 51 H LYS 51 3.153 4.782 7.296 450 HA LYS 51 HA LYS 51 3.724 3.767 9.953 451 1HB LYS 51 H LYS 51 5.955 3.478 9.153 452 2HB LYS 51 H LYS 51 4.904 3.138 7.759 453 1HG LYS 51 H LYS 51 5.214 5.703 7.246 454 2HG LYS 51 H LYS 51 6.634 5.569 8.300 455 1HD LYS 51 H LYS 51 6.081 3.850 5.837 456 2HD LYS 51 H LYS 51 7.197 5.231 5.894 457 1HE LYS 51 H LYS 51 8.432 4.024 7.766 458 2HE LYS 51 H LYS 51 7.422 2.605 7.421 459 1HZ LYS 51 H LYS 51 8.260 2.687 5.148 460 2HZ LYS 51 H LYS 51 9.256 3.938 5.549 461 3HZ LYS 51 H LYS 51 9.470 2.462 6.248 462 H LYS 52 H LYS 52 3.684 6.927 8.409 463 HA LYS 52 HA LYS 52 4.392 8.134 11.004 464 1HB LYS 52 H LYS 52 6.530 7.889 9.708 465 2HB LYS 52 H LYS 52 5.831 8.906 8.429 466 1HG LYS 52 H LYS 52 5.500 10.742 10.073 467 2HG LYS 52 H LYS 52 6.194 9.728 11.354 468 1HD LYS 52 H LYS 52 7.640 10.597 8.802 469 2HD LYS 52 H LYS 52 7.850 11.346 10.400 470 1HE LYS 52 H LYS 52 8.563 8.496 9.579 471 2HE LYS 52 H LYS 52 9.670 9.790 10.074 472 1HZ LYS 52 H LYS 52 8.595 9.735 12.244 473 2HZ LYS 52 H LYS 52 7.694 8.436 11.770 474 3HZ LYS 52 H LYS 52 9.336 8.312 11.864 475 H LEU 53 H LEU 53 2.051 8.448 10.841 476 HA LEU 53 HA LEU 53 0.880 10.073 8.799 477 1HB LEU 53 HB2 LEU 53 -0.427 8.613 10.311 478 2HB LEU 53 HB1 LEU 53 0.067 9.602 11.702 479 HG LEU 53 HG LEU 53 -1.057 11.586 10.658 480 1HD1 LEU 53 HD11 LEU 53 -1.816 9.507 8.564 481 2HD1 LEU 53 HD13 LEU 53 -2.698 11.036 8.772 482 3HD1 LEU 53 HD12 LEU 53 -0.985 11.058 8.308 483 1HD2 LEU 53 HD21 LEU 53 -2.248 10.143 12.286 484 2HD2 LEU 53 HD22 LEU 53 -3.364 10.813 11.073 485 3HD2 LEU 53 HD23 LEU 53 -2.827 9.120 10.949 No H/Q in entry = 485 Start of MODEL 14 1 1H ARG 1 H3 ARG 1 -12.752 18.685 -2.337 2 2H ARG 1 H2 ARG 1 -11.844 19.701 -1.408 3 3H ARG 1 H1 ARG 1 -11.146 18.384 -2.112 4 HA ARG 1 HA ARG 1 -11.390 17.822 0.097 5 1HB ARG 1 H ARG 1 -13.691 17.967 1.185 6 2HB ARG 1 H ARG 1 -12.862 19.503 0.887 7 1HG ARG 1 H ARG 1 -15.051 19.956 0.173 8 2HG ARG 1 H ARG 1 -14.232 19.573 -1.352 9 1HD ARG 1 H ARG 1 -15.263 17.451 -1.510 10 2HD ARG 1 H ARG 1 -15.610 17.390 0.231 11 HE ARG 1 H ARG 1 -17.581 18.536 -0.117 12 1HH1 ARG 1 H ARG 1 -15.537 18.814 -3.004 13 2HH1 ARG 1 H ARG 1 -16.765 19.605 -3.959 14 1HH2 ARG 1 H ARG 1 -19.194 19.573 -1.392 15 2HH2 ARG 1 H ARG 1 -18.853 20.025 -3.046 16 H LYS 2 H LYS 2 -11.460 16.466 -2.441 17 HA LYS 2 HA LYS 2 -13.024 14.083 -1.617 18 1HB LYS 2 H LYS 2 -14.126 15.644 -3.463 19 2HB LYS 2 H LYS 2 -12.945 14.869 -4.537 20 1HG LYS 2 H LYS 2 -14.880 13.344 -2.727 21 2HG LYS 2 H LYS 2 -15.196 13.715 -4.436 22 1HD LYS 2 H LYS 2 -13.015 12.524 -5.003 23 2HD LYS 2 H LYS 2 -12.947 11.997 -3.305 24 1HE LYS 2 H LYS 2 -13.977 10.205 -4.512 25 2HE LYS 2 H LYS 2 -15.281 11.023 -3.624 26 1HZ LYS 2 H LYS 2 -14.612 11.459 -6.454 27 2HZ LYS 2 H LYS 2 -15.870 10.550 -5.897 28 3HZ LYS 2 H LYS 2 -15.846 12.177 -5.631 29 H ARG 3 H ARG 3 -10.853 13.496 -0.848 30 HA ARG 3 HA ARG 3 -9.415 11.992 -2.888 31 1HB ARG 3 H ARG 3 -8.500 14.418 -2.928 32 2HB ARG 3 H ARG 3 -7.823 14.059 -1.323 33 1HG ARG 3 H ARG 3 -6.562 12.161 -2.248 34 2HG ARG 3 H ARG 3 -7.322 12.403 -3.841 35 1HD ARG 3 H ARG 3 -6.337 14.722 -3.887 36 2HD ARG 3 H ARG 3 -5.466 14.335 -2.384 37 HE ARG 3 H ARG 3 -4.873 12.287 -4.228 38 1HH1 ARG 3 H ARG 3 -4.374 15.772 -3.840 39 2HH1 ARG 3 H ARG 3 -2.912 15.809 -4.797 40 1HH2 ARG 3 H ARG 3 -2.952 12.346 -5.513 41 2HH2 ARG 3 H ARG 3 -2.094 13.851 -5.738 42 H GLN 4 H GLN 4 -10.759 10.747 -1.114 43 HA GLN 4 HA GLN 4 -9.608 10.519 1.515 44 1HB GLN 4 HB1 GLN 4 -12.006 10.030 0.766 45 2HB GLN 4 HB2 GLN 4 -11.388 8.522 0.054 46 1HG GLN 4 HG1 GLN 4 -10.779 7.638 2.169 47 2HG GLN 4 HG2 GLN 4 -10.828 9.233 2.952 48 1HE2 GLN 4 HE21 GLN 4 -14.392 9.280 3.366 49 2HE2 GLN 4 HE22 GLN 4 -12.980 10.291 3.163 50 H ALA 5 H ALA 5 -8.862 8.296 2.338 51 HA ALA 5 HA ALA 5 -6.507 7.502 0.907 52 1HB ALA 5 HB2 ALA 5 -6.754 7.468 3.388 53 2HB ALA 5 HB1 ALA 5 -7.940 6.150 3.229 54 3HB ALA 5 HB3 ALA 5 -6.250 5.892 2.734 55 H TRP 6 H TRP 6 -6.220 4.868 0.826 56 HA TRP 6 HA TRP 6 -7.888 4.034 -1.373 57 1HB TRP 6 HB2 TRP 6 -5.964 2.448 0.363 58 2HB TRP 6 HB1 TRP 6 -6.622 1.936 -1.193 59 HD1 TRP 6 HD1 TRP 6 -6.047 5.110 -2.287 60 HE1 TRP 6 HE1 TRP 6 -3.676 5.595 -3.175 61 HE3 TRP 6 HE3 TRP 6 -3.578 1.177 -0.148 62 HZ2 TRP 6 HZ2 TRP 6 -1.069 4.428 -2.969 63 HZ3 TRP 6 HZ3 TRP 6 -1.142 0.901 -0.521 64 HH2 TRP 6 HH2 TRP 6 0.111 2.518 -1.921 65 H LEU 7 H LEU 7 -8.803 1.648 -1.231 66 HA LEU 7 HA LEU 7 -10.904 1.741 0.772 67 1HB LEU 7 HB1 LEU 7 -11.690 -0.342 -0.371 68 2HB LEU 7 HB2 LEU 7 -11.489 1.041 -1.465 69 HG LEU 7 HG LEU 7 -9.048 -0.623 -1.199 70 1HD1 LEU 7 HD11 LEU 7 -10.821 -2.366 -1.002 71 2HD1 LEU 7 HD13 LEU 7 -11.547 -1.774 -2.513 72 3HD1 LEU 7 HD12 LEU 7 -9.920 -2.494 -2.531 73 1HD2 LEU 7 HD23 LEU 7 -9.401 1.196 -2.898 74 2HD2 LEU 7 HD21 LEU 7 -9.066 -0.380 -3.646 75 3HD2 LEU 7 HD22 LEU 7 -10.730 0.247 -3.597 76 H TRP 8 H TRP 8 -11.435 -0.182 2.122 77 HA TRP 8 HA TRP 8 -9.408 -0.639 3.975 78 1HB TRP 8 HB1 TRP 8 -10.930 -2.014 5.089 79 2HB TRP 8 HB2 TRP 8 -11.940 -0.868 4.202 80 HD1 TRP 8 HD1 TRP 8 -11.300 -4.493 4.681 81 HE1 TRP 8 HE1 TRP 8 -12.856 -5.938 3.224 82 HE3 TRP 8 HE3 TRP 8 -13.215 -0.828 1.653 83 HZ2 TRP 8 HZ2 TRP 8 -14.662 -5.556 1.054 84 HZ3 TRP 8 HZ3 TRP 8 -14.854 -1.421 -0.109 85 HH2 TRP 8 HH2 TRP 8 -15.582 -3.775 -0.414 86 H GLU 9 H GLU 9 -10.322 -2.704 1.162 87 HA GLU 9 HA GLU 9 -8.804 -4.979 1.961 88 1HB GLU 9 H GLU 9 -9.410 -4.042 -0.873 89 2HB GLU 9 H GLU 9 -8.992 -5.690 -0.360 90 1HG GLU 9 H GLU 9 -11.038 -5.674 1.116 91 2HG GLU 9 H GLU 9 -11.484 -4.115 0.394 92 H GLU 10 H GLU 10 -7.972 -2.295 -0.310 93 HA GLU 10 HA GLU 10 -5.320 -3.169 -0.804 94 1HB GLU 10 H GLU 10 -6.841 -1.381 -1.988 95 2HB GLU 10 H GLU 10 -6.121 -0.254 -0.818 96 1HG GLU 10 H GLU 10 -3.889 -0.786 -1.594 97 2HG GLU 10 H GLU 10 -4.501 -2.109 -2.609 98 H ASP 11 H ASP 11 -6.691 -0.917 1.630 99 HA ASP 11 HA ASP 11 -4.242 -0.035 2.756 100 1HB ASP 11 H ASP 11 -6.445 1.013 3.136 101 2HB ASP 11 H ASP 11 -6.987 -0.428 4.019 102 H LYS 12 H LYS 12 -6.346 -2.852 3.522 103 HA LYS 12 HA LYS 12 -4.832 -3.781 5.761 104 1HB LYS 12 H LYS 12 -7.159 -4.465 5.282 105 2HB LYS 12 H LYS 12 -6.629 -5.262 3.785 106 1HG LYS 12 H LYS 12 -6.920 -6.912 5.585 107 2HG LYS 12 H LYS 12 -5.207 -6.811 5.114 108 1HD LYS 12 H LYS 12 -4.596 -5.691 7.091 109 2HD LYS 12 H LYS 12 -6.243 -5.071 7.365 110 1HE LYS 12 H LYS 12 -5.646 -6.882 8.966 111 2HE LYS 12 H LYS 12 -7.035 -7.316 7.947 112 1HZ LYS 12 H LYS 12 -4.258 -8.164 7.491 113 2HZ LYS 12 H LYS 12 -5.453 -9.098 8.136 114 3HZ LYS 12 H LYS 12 -5.561 -8.586 6.573 115 H ASN 13 H ASN 13 -4.757 -4.552 2.249 116 HA ASN 13 HA ASN 13 -2.775 -6.581 2.362 117 1HB ASN 13 HB2 ASN 13 -3.555 -4.602 0.187 118 2HB ASN 13 HB1 ASN 13 -2.417 -5.939 -0.063 119 1HD2 ASN 13 HD22 ASN 13 -5.883 -7.007 -1.105 120 2HD2 ASN 13 HD21 ASN 13 -4.820 -5.687 -1.540 121 H LEU 14 H LEU 14 -2.534 -3.010 2.166 122 HA LEU 14 HA LEU 14 0.240 -2.866 1.606 123 1HB LEU 14 HB2 LEU 14 -1.393 -0.981 1.452 124 2HB LEU 14 HB1 LEU 14 -1.493 -0.950 3.224 125 HG LEU 14 HG LEU 14 0.993 -0.529 3.303 126 1HD1 LEU 14 HD12 LEU 14 0.591 -0.414 0.289 127 2HD1 LEU 14 HD11 LEU 14 1.968 0.364 1.101 128 3HD1 LEU 14 HD13 LEU 14 1.759 -1.398 1.198 129 1HD2 LEU 14 HD22 LEU 14 -0.726 1.429 1.718 130 2HD2 LEU 14 HD23 LEU 14 -0.587 1.335 3.488 131 3HD2 LEU 14 HD21 LEU 14 0.809 1.844 2.512 132 H ARG 15 H ARG 15 -1.482 -2.677 4.796 133 HA ARG 15 HA ARG 15 0.833 -2.544 6.409 134 1HB ARG 15 H ARG 15 -1.983 -3.571 6.854 135 2HB ARG 15 H ARG 15 -0.754 -3.690 8.134 136 1HG ARG 15 H ARG 15 -0.348 -1.205 7.852 137 2HG ARG 15 H ARG 15 -1.761 -1.164 6.769 138 1HD ARG 15 H ARG 15 -2.937 -2.429 8.793 139 2HD ARG 15 H ARG 15 -1.617 -1.713 9.738 140 HE ARG 15 H ARG 15 -2.593 0.379 9.505 141 1HH1 ARG 15 H ARG 15 -4.031 -1.896 7.200 142 2HH1 ARG 15 H ARG 15 -5.345 -0.823 6.761 143 1HH2 ARG 15 H ARG 15 -4.321 1.793 8.878 144 2HH2 ARG 15 H ARG 15 -5.414 1.313 7.591 145 H SER 16 H SER 16 -1.199 -5.466 5.771 146 HA SER 16 HA SER 16 0.486 -7.306 7.045 147 1HB SER 16 HB1 SER 16 -0.676 -9.001 5.617 148 2HB SER 16 HB2 SER 16 -1.790 -7.849 6.390 149 HG SER 16 HG SER 16 -1.882 -6.709 4.442 150 H GLY 17 H GLY 17 0.487 -6.271 3.597 151 1HA GLY 17 HA1 GLY 17 2.441 -8.075 2.676 152 2HA GLY 17 HA2 GLY 17 2.071 -6.496 1.959 153 H VAL 18 H VAL 18 2.919 -4.605 3.594 154 HA VAL 18 HA VAL 18 5.733 -4.676 3.328 155 HB VAL 18 HB VAL 18 3.920 -2.914 5.031 156 1HG1 VAL 18 HG11 VAL 18 6.885 -2.757 4.355 157 2HG1 VAL 18 HG13 VAL 18 5.940 -1.332 4.838 158 3HG1 VAL 18 HG12 VAL 18 6.122 -2.696 5.962 159 1HG2 VAL 18 HG21 VAL 18 3.551 -2.875 2.542 160 2HG2 VAL 18 HG22 VAL 18 4.178 -1.332 3.165 161 3HG2 VAL 18 HG23 VAL 18 5.266 -2.462 2.326 162 H ARG 19 H ARG 19 3.631 -5.395 6.161 163 HA ARG 19 HA ARG 19 5.753 -5.614 8.063 164 1HB ARG 19 H ARG 19 2.932 -6.710 7.881 165 2HB ARG 19 H ARG 19 4.001 -7.125 9.241 166 1HG ARG 19 H ARG 19 4.266 -4.791 9.841 167 2HG ARG 19 H ARG 19 3.401 -4.263 8.377 168 1HD ARG 19 H ARG 19 1.329 -5.204 9.156 169 2HD ARG 19 H ARG 19 2.135 -6.055 10.489 170 HE ARG 19 H ARG 19 1.358 -3.228 10.387 171 1HH1 ARG 19 H ARG 19 3.552 -5.586 11.862 172 2HH1 ARG 19 H ARG 19 3.644 -4.748 13.393 173 1HH2 ARG 19 H ARG 19 1.477 -2.131 12.418 174 2HH2 ARG 19 H ARG 19 2.497 -2.754 13.693 175 H LYS 20 H LYS 20 4.168 -8.040 5.920 176 HA LYS 20 HA LYS 20 5.601 -10.292 6.969 177 1HB LYS 20 H LYS 20 4.011 -9.715 4.457 178 2HB LYS 20 H LYS 20 4.901 -11.247 4.636 179 1HG LYS 20 H LYS 20 3.646 -11.888 6.557 180 2HG LYS 20 H LYS 20 3.026 -10.240 6.806 181 1HD LYS 20 H LYS 20 1.298 -11.750 5.834 182 2HD LYS 20 H LYS 20 1.685 -10.395 4.751 183 1HE LYS 20 H LYS 20 3.148 -11.839 3.408 184 2HE LYS 20 H LYS 20 2.899 -13.188 4.537 185 1HZ LYS 20 H LYS 20 0.806 -11.899 2.924 186 2HZ LYS 20 H LYS 20 1.515 -13.354 2.596 187 3HZ LYS 20 H LYS 20 0.591 -13.174 3.949 188 H TYR 21 H TYR 21 6.088 -8.289 3.996 189 HA TYR 21 HA TYR 21 8.692 -9.643 3.587 190 1HB TYR 21 HB2 TYR 21 7.103 -7.754 1.811 191 2HB TYR 21 HB1 TYR 21 8.591 -8.605 1.359 192 HD1 TYR 21 HD1 TYR 21 8.567 -11.184 1.427 193 HD2 TYR 21 HD2 TYR 21 4.986 -8.798 1.563 194 HE1 TYR 21 HE1 TYR 21 7.220 -13.163 0.767 195 HE2 TYR 21 HE2 TYR 21 3.641 -10.777 0.908 196 HH TYR 21 HH TYR 21 5.137 -13.954 0.226 197 H GLY 22 H GLY 22 7.897 -6.252 2.696 198 1HA GLY 22 HA1 GLY 22 9.001 -4.757 4.677 199 2HA GLY 22 HA2 GLY 22 10.442 -5.401 3.862 200 H GLU 23 H GLU 23 10.102 -2.698 3.903 201 HA GLU 23 HA GLU 23 8.705 -1.718 1.558 202 1HB GLU 23 H GLU 23 10.807 -0.457 3.376 203 2HB GLU 23 H GLU 23 9.879 0.410 2.128 204 1HG GLU 23 H GLU 23 7.767 -0.212 3.276 205 2HG GLU 23 H GLU 23 8.700 -1.054 4.531 206 H GLY 24 H GLY 24 9.759 -0.702 -0.279 207 1HA GLY 24 HA2 GLY 24 11.514 -0.355 -1.792 208 2HA GLY 24 HA1 GLY 24 12.569 -1.394 -0.808 209 H ASN 25 H ASN 25 10.907 -3.645 -0.533 210 HA ASN 25 HA ASN 25 11.251 -4.850 -3.183 211 1HB ASN 25 HB2 ASN 25 11.926 -5.966 -1.031 212 2HB ASN 25 HB1 ASN 25 10.207 -6.061 -0.589 213 1HD2 ASN 25 HD22 ASN 25 10.773 -9.352 -2.025 214 2HD2 ASN 25 HD21 ASN 25 10.995 -8.451 -0.544 215 H TRP 26 H TRP 26 9.468 -2.971 -3.638 216 HA TRP 26 HA TRP 26 6.744 -3.660 -3.031 217 1HB TRP 26 HB2 TRP 26 7.928 -1.837 -5.150 218 2HB TRP 26 HB1 TRP 26 6.231 -1.869 -4.640 219 HD1 TRP 26 HD1 TRP 26 9.317 -0.074 -4.011 220 HE1 TRP 26 HE1 TRP 26 9.264 1.298 -1.832 221 HE3 TRP 26 HE3 TRP 26 5.171 -2.156 -1.848 222 HZ2 TRP 26 HZ2 TRP 26 7.644 1.461 0.518 223 HZ3 TRP 26 HZ3 TRP 26 4.405 -1.361 0.371 224 HH2 TRP 26 HH2 TRP 26 5.631 0.443 1.556 225 H SER 27 H SER 27 9.034 -4.667 -5.489 226 HA SER 27 HA SER 27 7.318 -5.404 -7.587 227 1HB SER 27 HB2 SER 27 9.773 -6.915 -6.596 228 2HB SER 27 HB1 SER 27 9.101 -6.917 -8.246 229 HG SER 27 HG SER 27 10.851 -5.457 -8.022 230 H LYS 28 H LYS 28 8.369 -7.335 -4.712 231 HA LYS 28 HA LYS 28 6.744 -9.612 -5.372 232 1HB LYS 28 H LYS 28 8.451 -8.689 -3.118 233 2HB LYS 28 H LYS 28 7.121 -9.768 -2.654 234 1HG LYS 28 H LYS 28 9.116 -11.092 -3.181 235 2HG LYS 28 H LYS 28 7.847 -11.398 -4.389 236 1HD LYS 28 H LYS 28 8.936 -9.910 -5.992 237 2HD LYS 28 H LYS 28 10.112 -9.387 -4.767 238 1HE LYS 28 H LYS 28 11.169 -11.036 -6.214 239 2HE LYS 28 H LYS 28 10.936 -11.747 -4.603 240 1HZ LYS 28 H LYS 28 9.176 -12.166 -6.921 241 2HZ LYS 28 H LYS 28 10.299 -13.238 -6.363 242 3HZ LYS 28 H LYS 28 8.995 -12.851 -5.432 243 H ILE 29 H ILE 29 6.285 -6.779 -3.199 244 HA ILE 29 HA ILE 29 3.879 -7.527 -1.988 245 HB ILE 29 HB ILE 29 4.878 -4.800 -2.902 246 1HG1 ILE 29 HG12 ILE 29 6.222 -6.228 -1.205 247 2HG1 ILE 29 HG11 ILE 29 5.819 -4.564 -0.739 248 1HG2 ILE 29 HG23 ILE 29 2.528 -5.577 -1.148 249 2HG2 ILE 29 HG22 ILE 29 3.304 -3.975 -1.053 250 3HG2 ILE 29 HG21 ILE 29 2.547 -4.508 -2.569 251 1HD1 ILE 29 HD12 ILE 29 4.166 -6.999 0.060 252 2HD1 ILE 29 HD13 ILE 29 5.423 -6.266 1.077 253 3HD1 ILE 29 HD11 ILE 29 3.976 -5.332 0.647 254 H LEU 30 H LEU 30 4.355 -5.797 -5.122 255 HA LEU 30 HA LEU 30 1.583 -5.542 -5.737 256 1HB LEU 30 HB2 LEU 30 4.132 -5.537 -7.385 257 2HB LEU 30 HB1 LEU 30 2.534 -5.304 -8.127 258 HG LEU 30 HG LEU 30 3.355 -3.636 -5.730 259 1HD1 LEU 30 HD12 LEU 30 4.017 -3.087 -8.659 260 2HD1 LEU 30 HD13 LEU 30 4.203 -1.921 -7.327 261 3HD1 LEU 30 HD11 LEU 30 5.190 -3.401 -7.359 262 1HD2 LEU 30 HD21 LEU 30 0.997 -3.596 -6.515 263 2HD2 LEU 30 HD22 LEU 30 1.791 -2.030 -6.785 264 3HD2 LEU 30 HD23 LEU 30 1.549 -3.148 -8.145 265 H LEU 31 H LEU 31 3.813 -8.254 -5.996 266 HA LEU 31 HA LEU 31 2.214 -9.702 -7.954 267 1HB LEU 31 HB2 LEU 31 4.828 -9.805 -7.175 268 2HB LEU 31 HB1 LEU 31 4.169 -11.138 -6.202 269 HG LEU 31 HG LEU 31 3.796 -10.821 -9.220 270 1HD1 LEU 31 HD11 LEU 31 6.151 -11.289 -8.591 271 2HD1 LEU 31 HD12 LEU 31 5.612 -12.683 -7.624 272 3HD1 LEU 31 HD13 LEU 31 5.403 -12.691 -9.392 273 1HD2 LEU 31 HD21 LEU 31 3.028 -12.978 -7.211 274 2HD2 LEU 31 HD22 LEU 31 1.964 -12.091 -8.330 275 3HD2 LEU 31 HD23 LEU 31 3.121 -13.283 -8.962 276 H HIS 32 H HIS 32 2.882 -9.988 -4.418 277 HA HIS 32 HA HIS 32 1.149 -12.207 -3.989 278 1HB HIS 32 HB2 HIS 32 2.070 -10.050 -2.053 279 2HB HIS 32 HB1 HIS 32 1.421 -11.642 -1.614 280 HD1 HIS 32 HD1 HIS 32 2.930 -13.643 -3.199 281 HD2 HIS 32 HD2 HIS 32 4.792 -10.171 -1.788 282 HE1 HIS 32 HE1 HIS 32 5.436 -14.078 -3.148 283 H TYR 33 H TYR 33 0.637 -8.651 -3.599 284 HA TYR 33 HA TYR 33 -2.306 -9.213 -3.481 285 1HB TYR 33 HB1 TYR 33 -1.008 -6.709 -2.415 286 2HB TYR 33 HB2 TYR 33 -2.594 -7.389 -2.032 287 HD1 TYR 33 HD2 TYR 33 1.036 -7.598 -1.398 288 HD2 TYR 33 HD1 TYR 33 -2.840 -9.152 -0.359 289 HE1 TYR 33 HE2 TYR 33 2.014 -8.687 0.595 290 HE2 TYR 33 HE1 TYR 33 -1.860 -10.233 1.654 291 HH TYR 33 HH TYR 33 1.578 -9.828 2.538 292 H LYS 34 H LYS 34 -3.472 -8.369 -5.144 293 HA LYS 34 HA LYS 34 -2.017 -6.803 -7.159 294 1HB LYS 34 H LYS 34 -3.464 -8.747 -7.769 295 2HB LYS 34 H LYS 34 -4.875 -7.861 -7.149 296 1HG LYS 34 H LYS 34 -3.521 -6.051 -8.874 297 2HG LYS 34 H LYS 34 -3.521 -7.612 -9.724 298 1HD LYS 34 H LYS 34 -5.931 -7.796 -9.539 299 2HD LYS 34 H LYS 34 -6.013 -6.384 -8.457 300 1HE LYS 34 H LYS 34 -4.900 -6.219 -11.287 301 2HE LYS 34 H LYS 34 -6.620 -5.973 -10.921 302 1HZ LYS 34 H LYS 34 -4.401 -4.420 -9.770 303 2HZ LYS 34 H LYS 34 -5.405 -3.916 -10.980 304 3HZ LYS 34 H LYS 34 -6.006 -4.191 -9.470 305 H PHE 35 H PHE 35 -1.751 -4.734 -6.284 306 HA PHE 35 HA PHE 35 -3.926 -3.240 -5.106 307 1HB PHE 35 HB2 PHE 35 -1.232 -2.456 -6.286 308 2HB PHE 35 HB1 PHE 35 -2.349 -1.291 -5.566 309 HD1 PHE 35 HD2 PHE 35 -0.520 -4.481 -4.755 310 HD2 PHE 35 HD1 PHE 35 -2.230 -0.827 -3.265 311 HE1 PHE 35 HE2 PHE 35 0.387 -4.975 -2.508 312 HE2 PHE 35 HE1 PHE 35 -1.320 -1.326 -1.014 313 HZ PHE 35 HZ PHE 35 -0.009 -3.400 -0.634 314 H ASN 36 H ASN 36 -4.710 -1.117 -6.178 315 HA ASN 36 HA ASN 36 -6.010 -1.774 -8.639 316 1HB ASN 36 HB2 ASN 36 -5.569 0.885 -7.221 317 2HB ASN 36 HB1 ASN 36 -6.622 0.677 -8.635 318 1HD2 ASN 36 HD21 ASN 36 -8.990 -1.446 -6.787 319 2HD2 ASN 36 HD22 ASN 36 -8.133 -1.430 -8.311 320 H ASN 37 H ASN 37 -3.955 1.132 -8.286 321 HA ASN 37 HA ASN 37 -2.237 0.290 -10.539 322 1HB ASN 37 HB1 ASN 37 -3.956 2.813 -10.532 323 2HB ASN 37 HB2 ASN 37 -2.647 2.485 -11.684 324 1HD2 ASN 37 HD21 ASN 37 -4.446 0.036 -13.567 325 2HD2 ASN 37 HD22 ASN 37 -2.852 0.590 -13.109 326 H ARG 38 H ARG 38 -1.426 0.273 -8.005 327 HA ARG 38 HA ARG 38 -0.369 2.923 -7.248 328 1HB ARG 38 H ARG 38 -0.684 0.225 -5.933 329 2HB ARG 38 H ARG 38 0.508 1.373 -5.300 330 1HG ARG 38 H ARG 38 -1.710 1.565 -4.167 331 2HG ARG 38 H ARG 38 -1.207 3.072 -4.966 332 1HD ARG 38 H ARG 38 -2.745 2.799 -6.723 333 2HD ARG 38 H ARG 38 -2.937 1.061 -6.416 334 HE ARG 38 H ARG 38 -3.973 1.890 -4.164 335 1HH1 ARG 38 H ARG 38 -4.169 3.883 -7.098 336 2HH1 ARG 38 H ARG 38 -5.849 4.292 -6.857 337 1HH2 ARG 38 H ARG 38 -6.207 2.320 -3.938 338 2HH2 ARG 38 H ARG 38 -6.967 3.522 -4.972 339 H THR 39 H THR 39 1.541 3.556 -8.046 340 HA THR 39 HA THR 39 3.467 1.592 -9.067 341 HB THR 39 HB THR 39 4.759 3.734 -9.579 342 HG1 THR 39 HG1 THR 39 3.421 5.632 -9.393 343 1HG2 THR 39 HG22 THR 39 3.248 2.629 -11.224 344 2HG2 THR 39 HG21 THR 39 1.881 3.575 -10.587 345 3HG2 THR 39 HG23 THR 39 3.234 4.400 -11.398 346 H SER 40 H SER 40 5.871 2.081 -8.406 347 HA SER 40 HA SER 40 6.196 1.342 -5.705 348 1HB SER 40 HB2 SER 40 8.603 1.816 -6.125 349 2HB SER 40 HB1 SER 40 7.856 0.883 -7.444 350 HG SER 40 HG SER 40 9.050 2.578 -8.307 351 H VAL 41 H VAL 41 6.313 4.572 -7.276 352 HA VAL 41 HA VAL 41 7.237 5.943 -4.926 353 HB VAL 41 HB VAL 41 7.534 6.870 -7.176 354 1HG1 VAL 41 HG13 VAL 41 5.376 6.040 -8.148 355 2HG1 VAL 41 HG11 VAL 41 4.513 7.280 -7.212 356 3HG1 VAL 41 HG12 VAL 41 5.670 7.759 -8.469 357 1HG2 VAL 41 HG23 VAL 41 7.377 8.369 -5.169 358 2HG2 VAL 41 HG22 VAL 41 6.876 9.163 -6.680 359 3HG2 VAL 41 HG21 VAL 41 5.649 8.604 -5.523 360 H MET 42 H MET 42 3.960 5.292 -6.295 361 HA MET 42 HA MET 42 2.510 6.859 -4.422 362 1HB MET 42 HB1 MET 42 1.822 4.374 -6.030 363 2HB MET 42 HB2 MET 42 0.642 5.176 -4.971 364 1HG MET 42 HG1 MET 42 0.924 7.276 -6.191 365 2HG MET 42 HG2 MET 42 2.181 6.553 -7.204 366 1HE MET 42 HE1 MET 42 1.058 7.329 -9.395 367 2HE MET 42 HE3 MET 42 -0.662 7.090 -9.783 368 3HE MET 42 HE2 MET 42 -0.195 8.149 -8.431 369 H LEU 43 H LEU 43 3.581 3.423 -4.341 370 HA LEU 43 HA LEU 43 2.332 2.744 -1.890 371 1HB LEU 43 HB2 LEU 43 4.740 1.697 -3.398 372 2HB LEU 43 HB1 LEU 43 4.252 1.001 -1.837 373 HG LEU 43 HG LEU 43 2.168 1.393 -3.979 374 1HD1 LEU 43 HD13 LEU 43 4.121 -0.937 -3.825 375 2HD1 LEU 43 HD12 LEU 43 2.674 -0.867 -4.858 376 3HD1 LEU 43 HD11 LEU 43 4.020 0.259 -5.137 377 1HD2 LEU 43 HD21 LEU 43 1.553 0.670 -1.667 378 2HD2 LEU 43 HD22 LEU 43 1.173 -0.570 -2.883 379 3HD2 LEU 43 HD23 LEU 43 2.611 -0.747 -1.851 380 H LYS 44 H LYS 44 5.687 3.931 -2.543 381 HA LYS 44 HA LYS 44 6.552 3.905 0.151 382 1HB LYS 44 H LYS 44 7.326 5.507 -2.300 383 2HB LYS 44 H LYS 44 8.098 5.809 -0.726 384 1HG LYS 44 H LYS 44 8.556 3.288 -0.619 385 2HG LYS 44 H LYS 44 8.088 3.222 -2.329 386 1HD LYS 44 H LYS 44 10.313 4.949 -1.138 387 2HD LYS 44 H LYS 44 10.553 3.449 -2.061 388 1HE LYS 44 H LYS 44 9.281 6.022 -3.104 389 2HE LYS 44 H LYS 44 10.901 5.417 -3.500 390 1HZ LYS 44 H LYS 44 9.863 3.488 -4.470 391 2HZ LYS 44 H LYS 44 8.360 4.084 -4.136 392 3HZ LYS 44 H LYS 44 9.347 4.872 -5.201 393 H ASP 45 H ASP 45 5.217 6.653 -1.780 394 HA ASP 45 HA ASP 45 5.265 8.565 0.280 395 1HB ASP 45 H ASP 45 3.376 8.226 -2.085 396 2HB ASP 45 H ASP 45 3.454 9.682 -1.074 397 H ARG 46 H ARG 46 2.495 6.461 -0.738 398 HA ARG 46 HA ARG 46 0.691 7.433 1.208 399 1HB ARG 46 H ARG 46 0.309 5.939 -0.900 400 2HB ARG 46 H ARG 46 0.672 4.578 0.183 401 1HG ARG 46 H ARG 46 -1.720 4.883 0.204 402 2HG ARG 46 H ARG 46 -1.114 5.495 1.758 403 1HD ARG 46 H ARG 46 -1.777 7.620 1.297 404 2HD ARG 46 H ARG 46 -1.126 7.553 -0.355 405 HE ARG 46 H ARG 46 -3.508 5.969 -0.181 406 1HH1 ARG 46 H ARG 46 -2.407 9.334 -0.139 407 2HH1 ARG 46 H ARG 46 -3.869 9.965 -0.859 408 1HH2 ARG 46 H ARG 46 -5.409 6.803 -1.203 409 2HH2 ARG 46 H ARG 46 -5.586 8.522 -1.460 410 H TRP 47 H TRP 47 2.806 4.499 1.277 411 HA TRP 47 HA TRP 47 1.993 3.583 3.815 412 1HB TRP 47 HB2 TRP 47 3.265 2.206 2.285 413 2HB TRP 47 HB1 TRP 47 4.632 3.329 2.343 414 HD1 TRP 47 HD1 TRP 47 6.489 2.586 3.848 415 HE1 TRP 47 HE1 TRP 47 6.807 1.095 5.925 416 HE3 TRP 47 HE3 TRP 47 1.604 1.308 4.658 417 HZ2 TRP 47 HZ2 TRP 47 5.150 -0.443 7.680 418 HZ3 TRP 47 HZ3 TRP 47 1.012 -0.184 6.540 419 HH2 TRP 47 HH2 TRP 47 2.773 -1.067 8.053 420 H ARG 48 H ARG 48 4.741 5.753 2.931 421 HA ARG 48 HA ARG 48 5.760 5.995 5.571 422 1HB ARG 48 H ARG 48 5.912 7.785 3.118 423 2HB ARG 48 H ARG 48 6.802 8.125 4.619 424 1HG ARG 48 H ARG 48 7.006 5.393 3.316 425 2HG ARG 48 H ARG 48 7.977 6.747 2.701 426 1HD ARG 48 H ARG 48 7.929 5.881 5.625 427 2HD ARG 48 H ARG 48 9.135 5.319 4.453 428 HE ARG 48 H ARG 48 9.012 7.923 5.752 429 1HH1 ARG 48 H ARG 48 10.134 6.147 2.898 430 2HH1 ARG 48 H ARG 48 11.414 7.278 2.531 431 1HH2 ARG 48 H ARG 48 10.695 9.420 5.250 432 2HH2 ARG 48 H ARG 48 11.729 9.149 3.866 433 H THR 49 H THR 49 3.445 8.081 3.738 434 HA THR 49 HA THR 49 3.145 10.051 5.754 435 HB THR 49 HB THR 49 1.121 9.089 3.680 436 HG1 THR 49 HG1 THR 49 3.091 9.726 2.764 437 1HG2 THR 49 HG23 THR 49 1.406 11.685 5.259 438 2HG2 THR 49 HG22 THR 49 0.301 11.461 3.880 439 3HG2 THR 49 HG21 THR 49 0.073 10.512 5.366 440 H MET 50 H MET 50 1.220 7.068 5.093 441 HA MET 50 HA MET 50 -0.613 7.478 7.243 442 1HB MET 50 HB1 MET 50 -0.708 5.892 5.165 443 2HB MET 50 HB2 MET 50 0.188 4.751 6.196 444 1HG MET 50 HG2 MET 50 -1.565 4.902 7.911 445 2HG MET 50 HG1 MET 50 -2.428 6.112 6.949 446 1HE MET 50 HE2 MET 50 -4.142 3.930 7.997 447 2HE MET 50 HE1 MET 50 -4.690 5.089 6.765 448 3HE MET 50 HE3 MET 50 -5.001 3.352 6.551 449 H LYS 51 H LYS 51 2.471 5.653 6.981 450 HA LYS 51 HA LYS 51 2.342 4.801 9.774 451 1HB LYS 51 H LYS 51 3.336 3.469 7.814 452 2HB LYS 51 H LYS 51 4.691 4.618 7.840 453 1HG LYS 51 H LYS 51 5.383 2.756 9.180 454 2HG LYS 51 H LYS 51 4.957 4.040 10.329 455 1HD LYS 51 H LYS 51 2.546 2.608 9.815 456 2HD LYS 51 H LYS 51 3.811 1.381 10.041 457 1HE LYS 51 H LYS 51 3.249 3.703 11.943 458 2HE LYS 51 H LYS 51 2.720 2.025 12.191 459 1HZ LYS 51 H LYS 51 5.017 1.369 12.213 460 2HZ LYS 51 H LYS 51 5.510 2.925 11.981 461 3HZ LYS 51 H LYS 51 4.733 2.506 13.375 462 H LYS 52 H LYS 52 2.055 7.449 9.912 463 HA LYS 52 HA LYS 52 4.662 8.344 11.032 464 1HB LYS 52 H LYS 52 4.229 9.381 8.748 465 2HB LYS 52 H LYS 52 2.790 10.146 9.448 466 1HG LYS 52 H LYS 52 4.661 10.822 11.332 467 2HG LYS 52 H LYS 52 5.689 10.728 9.887 468 1HD LYS 52 H LYS 52 5.013 12.939 9.740 469 2HD LYS 52 H LYS 52 3.713 12.173 8.800 470 1HE LYS 52 H LYS 52 3.450 12.567 11.805 471 2HE LYS 52 H LYS 52 3.081 13.889 10.681 472 1HZ LYS 52 H LYS 52 1.837 11.235 10.614 473 2HZ LYS 52 H LYS 52 1.148 12.583 11.263 474 3HZ LYS 52 H LYS 52 1.464 12.510 9.642 475 H LEU 53 H LEU 53 1.111 8.816 10.773 476 HA LEU 53 HA LEU 53 -0.475 9.154 12.379 477 1HB LEU 53 HB2 LEU 53 1.149 7.687 13.815 478 2HB LEU 53 HB1 LEU 53 1.612 9.226 14.573 479 HG LEU 53 HG LEU 53 -0.982 9.598 14.818 480 1HD1 LEU 53 HD13 LEU 53 -0.796 6.560 14.543 481 2HD1 LEU 53 HD12 LEU 53 -2.225 7.463 15.097 482 3HD1 LEU 53 HD11 LEU 53 -1.647 7.655 13.428 483 1HD2 LEU 53 HD22 LEU 53 0.538 7.526 16.464 484 2HD2 LEU 53 HD23 LEU 53 0.572 9.290 16.704 485 3HD2 LEU 53 HD21 LEU 53 -0.931 8.383 16.990 No H/Q in entry = 485 Start of MODEL 15 1 1H ARG 1 H2 ARG 1 -5.198 20.440 -1.658 2 2H ARG 1 H1 ARG 1 -6.073 20.613 -0.271 3 3H ARG 1 H3 ARG 1 -4.498 21.097 -0.318 4 HA ARG 1 HA ARG 1 -3.743 18.865 -0.617 5 1HB ARG 1 H ARG 1 -5.584 19.401 1.744 6 2HB ARG 1 H ARG 1 -4.569 17.946 1.628 7 1HG ARG 1 H ARG 1 -3.317 20.676 1.229 8 2HG ARG 1 H ARG 1 -3.656 20.098 2.874 9 1HD ARG 1 H ARG 1 -2.100 18.463 0.827 10 2HD ARG 1 H ARG 1 -1.328 19.570 1.983 11 HE ARG 1 H ARG 1 -3.072 17.809 3.399 12 1HH1 ARG 1 H ARG 1 -0.022 17.801 1.598 13 2HH1 ARG 1 H ARG 1 0.668 16.475 2.504 14 1HH2 ARG 1 H ARG 1 -2.148 16.070 4.605 15 2HH2 ARG 1 H ARG 1 -0.547 15.485 4.215 16 H LYS 2 H LYS 2 -4.292 17.314 -2.042 17 HA LYS 2 HA LYS 2 -7.079 16.524 -2.429 18 1HB LYS 2 H LYS 2 -4.411 15.708 -3.632 19 2HB LYS 2 H LYS 2 -5.921 14.855 -4.021 20 1HG LYS 2 H LYS 2 -6.941 16.992 -4.755 21 2HG LYS 2 H LYS 2 -5.420 17.842 -4.388 22 1HD LYS 2 H LYS 2 -4.217 16.488 -6.042 23 2HD LYS 2 H LYS 2 -5.678 15.523 -6.361 24 1HE LYS 2 H LYS 2 -5.558 18.542 -6.753 25 2HE LYS 2 H LYS 2 -5.179 17.384 -8.045 26 1HZ LYS 2 H LYS 2 -7.379 16.467 -7.765 27 2HZ LYS 2 H LYS 2 -7.732 17.583 -6.605 28 3HZ LYS 2 H LYS 2 -7.445 18.068 -8.154 29 H ARG 3 H ARG 3 -7.982 15.308 -0.845 30 HA ARG 3 HA ARG 3 -6.391 13.372 0.661 31 1HB ARG 3 H ARG 3 -8.529 12.963 1.860 32 2HB ARG 3 H ARG 3 -8.089 14.683 1.823 33 1HG ARG 3 H ARG 3 -9.639 14.353 -0.501 34 2HG ARG 3 H ARG 3 -10.447 13.318 0.696 35 1HD ARG 3 H ARG 3 -11.382 15.565 0.821 36 2HD ARG 3 H ARG 3 -10.452 15.238 2.301 37 HE ARG 3 H ARG 3 -8.688 16.469 0.480 38 1HH1 ARG 3 H ARG 3 -11.651 17.233 2.260 39 2HH1 ARG 3 H ARG 3 -11.330 18.950 2.324 40 1HH2 ARG 3 H ARG 3 -8.268 18.723 0.554 41 2HH2 ARG 3 H ARG 3 -9.395 19.803 1.353 42 H GLN 4 H GLN 4 -5.760 12.170 -1.327 43 HA GLN 4 HA GLN 4 -7.727 10.716 -2.841 44 1HB GLN 4 HB2 GLN 4 -4.743 10.234 -2.421 45 2HB GLN 4 HB1 GLN 4 -5.747 9.449 -3.662 46 1HG GLN 4 HG1 GLN 4 -5.229 12.447 -3.398 47 2HG GLN 4 HG2 GLN 4 -4.521 11.369 -4.615 48 1HE2 GLN 4 HE21 GLN 4 -7.690 10.912 -6.387 49 2HE2 GLN 4 HE22 GLN 4 -6.334 9.976 -5.800 50 H ALA 5 H ALA 5 -9.130 9.589 -1.502 51 HA ALA 5 HA ALA 5 -8.271 7.965 0.700 52 1HB ALA 5 HB1 ALA 5 -10.555 8.883 0.481 53 2HB ALA 5 HB2 ALA 5 -10.823 7.884 -0.965 54 3HB ALA 5 HB3 ALA 5 -10.590 7.111 0.618 55 H TRP 6 H TRP 6 -8.238 5.667 0.859 56 HA TRP 6 HA TRP 6 -7.629 4.284 -1.722 57 1HB TRP 6 HB2 TRP 6 -6.333 4.373 0.953 58 2HB TRP 6 HB1 TRP 6 -6.491 2.761 0.249 59 HD1 TRP 6 HD1 TRP 6 -5.772 5.808 -1.934 60 HE1 TRP 6 HE1 TRP 6 -3.436 5.594 -2.995 61 HE3 TRP 6 HE3 TRP 6 -4.136 1.666 0.577 62 HZ2 TRP 6 HZ2 TRP 6 -1.176 3.856 -2.775 63 HZ3 TRP 6 HZ3 TRP 6 -1.874 0.765 0.126 64 HH2 TRP 6 HH2 TRP 6 -0.390 1.856 -1.535 65 H LEU 7 H LEU 7 -7.950 1.839 -1.510 66 HA LEU 7 HA LEU 7 -10.664 1.371 -0.447 67 1HB LEU 7 HB1 LEU 7 -8.828 -0.378 -2.142 68 2HB LEU 7 HB2 LEU 7 -10.534 -0.707 -1.771 69 HG LEU 7 HG LEU 7 -9.509 1.741 -3.293 70 1HD1 LEU 7 HD12 LEU 7 -9.251 -0.391 -4.548 71 2HD1 LEU 7 HD13 LEU 7 -10.973 -0.748 -4.276 72 3HD1 LEU 7 HD11 LEU 7 -10.500 0.652 -5.267 73 1HD2 LEU 7 HD21 LEU 7 -12.291 0.725 -2.570 74 2HD2 LEU 7 HD23 LEU 7 -11.570 2.306 -2.177 75 3HD2 LEU 7 HD22 LEU 7 -12.001 1.919 -3.858 76 H TRP 8 H TRP 8 -11.141 -0.157 1.128 77 HA TRP 8 HA TRP 8 -9.428 -0.538 3.261 78 1HB TRP 8 HB2 TRP 8 -10.978 -2.192 4.039 79 2HB TRP 8 HB1 TRP 8 -11.893 -0.936 3.199 80 HD1 TRP 8 HD1 TRP 8 -11.162 -4.600 3.174 81 HE1 TRP 8 HE1 TRP 8 -12.525 -5.821 1.362 82 HE3 TRP 8 HE3 TRP 8 -12.966 -0.531 0.637 83 HZ2 TRP 8 HZ2 TRP 8 -14.153 -5.125 -0.874 84 HZ3 TRP 8 HZ3 TRP 8 -14.415 -0.860 -1.348 85 HH2 TRP 8 HH2 TRP 8 -15.014 -3.147 -2.106 86 H GLU 9 H GLU 9 -9.820 -2.598 0.368 87 HA GLU 9 HA GLU 9 -8.269 -4.806 1.184 88 1HB GLU 9 H GLU 9 -9.046 -3.533 -1.440 89 2HB GLU 9 H GLU 9 -7.826 -4.829 -1.443 90 1HG GLU 9 H GLU 9 -10.280 -5.320 0.196 91 2HG GLU 9 H GLU 9 -10.505 -5.306 -1.561 92 H GLU 10 H GLU 10 -7.215 -2.065 -0.928 93 HA GLU 10 HA GLU 10 -4.486 -2.715 -0.918 94 1HB GLU 10 H GLU 10 -5.875 -0.019 -1.190 95 2HB GLU 10 H GLU 10 -4.171 -0.333 -1.592 96 1HG GLU 10 H GLU 10 -5.121 -2.273 -3.072 97 2HG GLU 10 H GLU 10 -6.666 -1.406 -2.935 98 H ASP 11 H ASP 11 -6.340 -0.579 1.318 99 HA ASP 11 HA ASP 11 -4.174 0.465 2.774 100 1HB ASP 11 H ASP 11 -7.031 -0.220 3.549 101 2HB ASP 11 H ASP 11 -5.907 0.572 4.670 102 H LYS 12 H LYS 12 -6.188 -2.426 3.614 103 HA LYS 12 HA LYS 12 -4.571 -3.194 5.836 104 1HB LYS 12 H LYS 12 -6.442 -4.798 4.041 105 2HB LYS 12 H LYS 12 -5.771 -5.390 5.577 106 1HG LYS 12 H LYS 12 -7.333 -2.781 5.412 107 2HG LYS 12 H LYS 12 -8.140 -4.349 5.636 108 1HD LYS 12 H LYS 12 -6.711 -4.764 7.651 109 2HD LYS 12 H LYS 12 -6.005 -3.142 7.451 110 1HE LYS 12 H LYS 12 -8.260 -2.134 7.664 111 2HE LYS 12 H LYS 12 -8.965 -3.753 7.870 112 1HZ LYS 12 H LYS 12 -7.604 -4.002 9.835 113 2HZ LYS 12 H LYS 12 -7.016 -2.470 9.655 114 3HZ LYS 12 H LYS 12 -8.620 -2.706 9.964 115 H ASN 13 H ASN 13 -4.592 -4.227 2.403 116 HA ASN 13 HA ASN 13 -2.683 -6.289 2.616 117 1HB ASN 13 HB2 ASN 13 -3.431 -4.435 0.324 118 2HB ASN 13 HB1 ASN 13 -2.365 -5.837 0.144 119 1HD2 ASN 13 HD21 ASN 13 -5.767 -6.974 -0.808 120 2HD2 ASN 13 HD22 ASN 13 -4.407 -6.075 -1.463 121 H LEU 14 H LEU 14 -2.264 -2.746 2.297 122 HA LEU 14 HA LEU 14 0.513 -2.821 1.628 123 1HB LEU 14 HB2 LEU 14 -1.050 -0.839 1.421 124 2HB LEU 14 HB1 LEU 14 -0.985 -0.672 3.185 125 HG LEU 14 HG LEU 14 1.551 -0.502 2.979 126 1HD1 LEU 14 HD11 LEU 14 0.780 -0.433 0.035 127 2HD1 LEU 14 HD13 LEU 14 2.302 0.262 0.638 128 3HD1 LEU 14 HD12 LEU 14 1.984 -1.474 0.829 129 1HD2 LEU 14 HD21 LEU 14 -0.134 1.573 1.512 130 2HD2 LEU 14 HD23 LEU 14 0.115 1.484 3.271 131 3HD2 LEU 14 HD22 LEU 14 1.482 1.851 2.195 132 H ARG 15 H ARG 15 -1.198 -2.450 4.780 133 HA ARG 15 HA ARG 15 1.108 -2.155 6.369 134 1HB ARG 15 H ARG 15 -1.579 -3.377 7.087 135 2HB ARG 15 H ARG 15 -0.363 -2.811 8.249 136 1HG ARG 15 H ARG 15 -0.540 -0.517 7.320 137 2HG ARG 15 H ARG 15 -1.742 -1.081 6.142 138 1HD ARG 15 H ARG 15 -3.187 -0.338 7.774 139 2HD ARG 15 H ARG 15 -2.937 -1.991 8.366 140 HE ARG 15 H ARG 15 -1.633 -1.173 10.142 141 1HH1 ARG 15 H ARG 15 -2.216 1.413 7.792 142 2HH1 ARG 15 H ARG 15 -1.968 2.708 8.947 143 1HH2 ARG 15 H ARG 15 -1.208 0.550 11.632 144 2HH2 ARG 15 H ARG 15 -1.406 2.220 11.129 145 H SER 16 H SER 16 -0.873 -5.171 6.002 146 HA SER 16 HA SER 16 1.050 -6.787 7.352 147 1HB SER 16 HB1 SER 16 -0.268 -8.678 6.444 148 2HB SER 16 HB2 SER 16 -1.312 -7.410 7.130 149 HG SER 16 HG SER 16 -0.919 -8.179 4.476 150 H GLY 17 H GLY 17 0.565 -6.005 3.887 151 1HA GLY 17 HA1 GLY 17 2.286 -7.926 2.761 152 2HA GLY 17 HA2 GLY 17 1.919 -6.336 2.065 153 H VAL 18 H VAL 18 3.068 -4.476 3.569 154 HA VAL 18 HA VAL 18 5.826 -4.713 2.954 155 HB VAL 18 HB VAL 18 4.336 -2.820 4.820 156 1HG1 VAL 18 HG12 VAL 18 7.215 -2.895 3.846 157 2HG1 VAL 18 HG11 VAL 18 6.434 -1.382 4.342 158 3HG1 VAL 18 HG13 VAL 18 6.620 -2.705 5.511 159 1HG2 VAL 18 HG23 VAL 18 3.719 -2.794 2.375 160 2HG2 VAL 18 HG21 VAL 18 4.464 -1.278 2.928 161 3HG2 VAL 18 HG22 VAL 18 5.421 -2.453 1.991 162 H ARG 19 H ARG 19 4.039 -5.251 6.039 163 HA ARG 19 HA ARG 19 6.361 -5.522 7.667 164 1HB ARG 19 H ARG 19 3.637 -5.505 8.091 165 2HB ARG 19 H ARG 19 4.024 -7.212 8.382 166 1HG ARG 19 H ARG 19 5.382 -4.809 9.697 167 2HG ARG 19 H ARG 19 4.190 -5.881 10.465 168 1HD ARG 19 H ARG 19 5.788 -7.816 9.949 169 2HD ARG 19 H ARG 19 6.997 -6.582 9.528 170 HE ARG 19 H ARG 19 5.855 -6.053 12.115 171 1HH1 ARG 19 H ARG 19 8.117 -8.176 10.404 172 2HH1 ARG 19 H ARG 19 9.120 -8.466 11.807 173 1HH2 ARG 19 H ARG 19 7.181 -6.443 13.967 174 2HH2 ARG 19 H ARG 19 8.580 -7.484 13.841 175 H LYS 20 H LYS 20 4.499 -7.894 5.704 176 HA LYS 20 HA LYS 20 5.992 -10.176 6.650 177 1HB LYS 20 H LYS 20 4.138 -9.671 4.297 178 2HB LYS 20 H LYS 20 4.922 -11.242 4.568 179 1HG LYS 20 H LYS 20 3.372 -9.867 6.787 180 2HG LYS 20 H LYS 20 2.535 -10.855 5.571 181 1HD LYS 20 H LYS 20 4.956 -12.110 6.798 182 2HD LYS 20 H LYS 20 3.585 -11.853 7.898 183 1HE LYS 20 H LYS 20 3.390 -14.060 6.877 184 2HE LYS 20 H LYS 20 2.090 -13.016 6.268 185 1HZ LYS 20 H LYS 20 4.608 -13.586 4.864 186 2HZ LYS 20 H LYS 20 3.151 -14.286 4.535 187 3HZ LYS 20 H LYS 20 3.363 -12.669 4.291 188 H TYR 21 H TYR 21 6.013 -8.427 3.467 189 HA TYR 21 HA TYR 21 8.328 -9.867 2.535 190 1HB TYR 21 HB2 TYR 21 7.010 -7.279 1.628 191 2HB TYR 21 HB1 TYR 21 8.345 -8.066 0.775 192 HD1 TYR 21 HD1 TYR 21 7.877 -10.739 0.374 193 HD2 TYR 21 HD2 TYR 21 4.901 -7.651 0.744 194 HE1 TYR 21 HE1 TYR 21 6.269 -12.130 -0.911 195 HE2 TYR 21 HE2 TYR 21 3.300 -9.038 -0.543 196 HH TYR 21 HH TYR 21 2.989 -10.973 -1.748 197 H GLY 22 H GLY 22 8.051 -6.310 3.094 198 1HA GLY 22 HA2 GLY 22 9.826 -5.714 4.993 199 2HA GLY 22 HA1 GLY 22 10.934 -6.205 3.691 200 H GLU 23 H GLU 23 11.230 -3.674 4.501 201 HA GLU 23 HA GLU 23 9.533 -1.762 3.174 202 1HB GLU 23 H GLU 23 12.323 -1.655 4.390 203 2HB GLU 23 H GLU 23 11.529 -0.230 3.685 204 1HG GLU 23 H GLU 23 10.096 -1.907 5.768 205 2HG GLU 23 H GLU 23 11.295 -0.697 6.263 206 H GLY 24 H GLY 24 9.524 -1.171 1.064 207 1HA GLY 24 HA1 GLY 24 10.603 -0.465 -0.929 208 2HA GLY 24 HA2 GLY 24 12.020 -1.445 -0.518 209 H ASN 25 H ASN 25 9.707 -3.604 0.201 210 HA ASN 25 HA ASN 25 9.981 -4.980 -2.359 211 1HB ASN 25 HB1 ASN 25 8.517 -5.650 0.223 212 2HB ASN 25 HB2 ASN 25 8.632 -6.740 -1.174 213 1HD2 ASN 25 HD22 ASN 25 12.015 -7.670 -0.627 214 2HD2 ASN 25 HD21 ASN 25 10.694 -7.621 -1.773 215 H TRP 26 H TRP 26 8.832 -2.931 -3.335 216 HA TRP 26 HA TRP 26 5.947 -2.815 -3.033 217 1HB TRP 26 HB2 TRP 26 7.745 -1.596 -5.153 218 2HB TRP 26 HB1 TRP 26 6.105 -1.091 -4.734 219 HD1 TRP 26 HD1 TRP 26 9.267 0.272 -4.415 220 HE1 TRP 26 HE1 TRP 26 9.686 1.667 -2.301 221 HE3 TRP 26 HE3 TRP 26 5.347 -1.382 -1.562 222 HZ2 TRP 26 HZ2 TRP 26 8.509 1.987 0.274 223 HZ3 TRP 26 HZ3 TRP 26 5.032 -0.489 0.724 224 HH2 TRP 26 HH2 TRP 26 6.608 1.183 1.648 225 H SER 27 H SER 27 8.233 -4.052 -5.513 226 HA SER 27 HA SER 27 6.351 -4.715 -7.492 227 1HB SER 27 HB2 SER 27 8.775 -4.724 -7.860 228 2HB SER 27 HB1 SER 27 8.964 -6.090 -6.734 229 HG SER 27 HG SER 27 7.437 -6.102 -9.134 230 H LYS 28 H LYS 28 7.622 -6.761 -4.794 231 HA LYS 28 HA LYS 28 6.161 -9.085 -5.458 232 1HB LYS 28 H LYS 28 7.098 -8.085 -2.737 233 2HB LYS 28 H LYS 28 6.584 -9.746 -3.103 234 1HG LYS 28 H LYS 28 8.946 -8.281 -4.377 235 2HG LYS 28 H LYS 28 9.044 -9.567 -3.155 236 1HD LYS 28 H LYS 28 7.728 -11.039 -4.817 237 2HD LYS 28 H LYS 28 8.076 -9.784 -6.032 238 1HE LYS 28 H LYS 28 10.513 -10.022 -5.540 239 2HE LYS 28 H LYS 28 10.135 -11.336 -4.404 240 1HZ LYS 28 H LYS 28 9.509 -11.333 -7.276 241 2HZ LYS 28 H LYS 28 10.755 -12.149 -6.566 242 3HZ LYS 28 H LYS 28 9.195 -12.559 -6.217 243 H ILE 29 H ILE 29 5.292 -6.293 -3.371 244 HA ILE 29 HA ILE 29 2.866 -7.364 -2.387 245 HB ILE 29 HB ILE 29 3.939 -4.564 -2.792 246 1HG1 ILE 29 HG11 ILE 29 3.178 -6.130 -0.287 247 2HG1 ILE 29 HG12 ILE 29 4.806 -6.151 -1.002 248 1HG2 ILE 29 HG23 ILE 29 1.230 -5.397 -1.676 249 2HG2 ILE 29 HG21 ILE 29 1.954 -3.793 -1.438 250 3HG2 ILE 29 HG22 ILE 29 1.528 -4.336 -3.071 251 1HD1 ILE 29 HD11 ILE 29 4.770 -3.592 -0.829 252 2HD1 ILE 29 HD12 ILE 29 3.324 -3.781 0.191 253 3HD1 ILE 29 HD13 ILE 29 4.873 -4.485 0.706 254 H LEU 30 H LEU 30 3.600 -5.494 -5.358 255 HA LEU 30 HA LEU 30 0.842 -5.246 -6.145 256 1HB LEU 30 HB1 LEU 30 3.530 -4.576 -7.199 257 2HB LEU 30 HB2 LEU 30 2.337 -4.955 -8.455 258 HG LEU 30 HG LEU 30 2.499 -2.500 -7.769 259 1HD1 LEU 30 HD11 LEU 30 -0.152 -3.978 -7.547 260 2HD1 LEU 30 HD12 LEU 30 -0.001 -2.216 -7.725 261 3HD1 LEU 30 HD13 LEU 30 0.584 -3.295 -9.012 262 1HD2 LEU 30 HD22 LEU 30 2.706 -2.921 -5.309 263 2HD2 LEU 30 HD23 LEU 30 1.391 -1.799 -5.720 264 3HD2 LEU 30 HD21 LEU 30 1.018 -3.470 -5.285 265 H LEU 31 H LEU 31 3.429 -7.599 -6.954 266 HA LEU 31 HA LEU 31 1.760 -8.798 -9.024 267 1HB LEU 31 HB2 LEU 31 4.533 -9.172 -7.948 268 2HB LEU 31 HB1 LEU 31 3.786 -10.536 -8.802 269 HG LEU 31 HG LEU 31 5.166 -8.971 -10.255 270 1HD1 LEU 31 HD13 LEU 31 3.368 -10.513 -11.117 271 2HD1 LEU 31 HD11 LEU 31 2.225 -9.154 -11.033 272 3HD1 LEU 31 HD12 LEU 31 3.626 -9.068 -12.121 273 1HD2 LEU 31 HD21 LEU 31 4.378 -6.851 -9.145 274 2HD2 LEU 31 HD23 LEU 31 4.236 -6.832 -10.915 275 3HD2 LEU 31 HD22 LEU 31 2.793 -7.088 -9.912 276 H HIS 32 H HIS 32 2.482 -9.563 -5.573 277 HA HIS 32 HA HIS 32 0.607 -11.876 -5.883 278 1HB HIS 32 HB2 HIS 32 2.963 -12.146 -4.041 279 2HB HIS 32 HB1 HIS 32 2.026 -13.399 -4.872 280 HD1 HIS 32 HD1 HIS 32 3.125 -14.414 -6.909 281 HD2 HIS 32 HD2 HIS 32 4.719 -10.684 -5.911 282 HE1 HIS 32 HE1 HIS 32 5.112 -13.993 -8.444 283 H TYR 33 H TYR 33 0.038 -9.188 -4.763 284 HA TYR 33 HA TYR 33 -0.930 -10.202 -2.177 285 1HB TYR 33 HB2 TYR 33 1.455 -8.909 -2.138 286 2HB TYR 33 HB1 TYR 33 0.355 -7.539 -1.932 287 HD1 TYR 33 HD2 TYR 33 1.289 -10.882 -0.533 288 HD2 TYR 33 HD1 TYR 33 -0.678 -7.122 0.152 289 HE1 TYR 33 HE2 TYR 33 1.041 -11.449 1.876 290 HE2 TYR 33 HE1 TYR 33 -0.937 -7.691 2.548 291 HH TYR 33 HH TYR 33 0.136 -10.813 3.898 292 H LYS 34 H LYS 34 -2.011 -9.271 -4.837 293 HA LYS 34 HA LYS 34 -3.827 -8.155 -5.641 294 1HB LYS 34 H LYS 34 -4.812 -9.545 -3.805 295 2HB LYS 34 H LYS 34 -4.698 -8.134 -2.729 296 1HG LYS 34 H LYS 34 -6.051 -6.846 -4.494 297 2HG LYS 34 H LYS 34 -6.352 -8.415 -5.276 298 1HD LYS 34 H LYS 34 -6.899 -8.050 -2.320 299 2HD LYS 34 H LYS 34 -8.080 -7.481 -3.521 300 1HE LYS 34 H LYS 34 -8.230 -9.719 -4.495 301 2HE LYS 34 H LYS 34 -6.964 -10.317 -3.398 302 1HZ LYS 34 H LYS 34 -9.402 -9.098 -2.340 303 2HZ LYS 34 H LYS 34 -9.383 -10.688 -2.798 304 3HZ LYS 34 H LYS 34 -8.364 -10.158 -1.616 305 H PHE 35 H PHE 35 -3.199 -6.209 -6.456 306 HA PHE 35 HA PHE 35 -3.960 -3.844 -4.884 307 1HB PHE 35 HB2 PHE 35 -1.157 -4.553 -5.578 308 2HB PHE 35 HB1 PHE 35 -1.643 -2.907 -5.993 309 HD1 PHE 35 HD2 PHE 35 -1.106 -5.303 -3.221 310 HD2 PHE 35 HD1 PHE 35 -2.144 -1.264 -4.288 311 HE1 PHE 35 HE2 PHE 35 -0.775 -4.591 -0.866 312 HE2 PHE 35 HE1 PHE 35 -1.802 -0.559 -1.936 313 HZ PHE 35 HZ PHE 35 -1.123 -2.224 -0.228 314 H ASN 36 H ASN 36 -3.990 -1.876 -6.333 315 HA ASN 36 HA ASN 36 -4.843 -2.717 -9.061 316 1HB ASN 36 HB2 ASN 36 -5.352 -0.101 -7.586 317 2HB ASN 36 HB1 ASN 36 -6.122 -0.652 -9.088 318 1HD2 ASN 36 HD22 ASN 36 -7.827 -3.407 -7.125 319 2HD2 ASN 36 HD21 ASN 36 -6.585 -3.400 -8.354 320 H ASN 37 H ASN 37 -4.556 0.348 -9.656 321 HA ASN 37 HA ASN 37 -1.905 0.096 -10.840 322 1HB ASN 37 HB2 ASN 37 -3.995 1.169 -11.880 323 2HB ASN 37 HB1 ASN 37 -3.698 2.551 -10.805 324 1HD2 ASN 37 HD21 ASN 37 -0.715 3.634 -12.512 325 2HD2 ASN 37 HD22 ASN 37 -1.476 3.564 -10.934 326 H ARG 38 H ARG 38 -1.013 -0.193 -8.519 327 HA ARG 38 HA ARG 38 -0.425 2.474 -7.304 328 1HB ARG 38 H ARG 38 -1.158 -0.098 -6.206 329 2HB ARG 38 H ARG 38 0.487 0.307 -5.676 330 1HG ARG 38 H ARG 38 -0.795 1.333 -4.030 331 2HG ARG 38 H ARG 38 -0.540 2.681 -5.158 332 1HD ARG 38 H ARG 38 -2.975 0.851 -5.198 333 2HD ARG 38 H ARG 38 -2.927 2.401 -4.341 334 HE ARG 38 H ARG 38 -2.147 2.940 -6.977 335 1HH1 ARG 38 H ARG 38 -5.002 1.785 -5.217 336 2HH1 ARG 38 H ARG 38 -6.129 2.336 -6.441 337 1HH2 ARG 38 H ARG 38 -3.624 3.540 -8.629 338 2HH2 ARG 38 H ARG 38 -5.349 3.403 -8.350 339 H THR 39 H THR 39 1.452 3.318 -7.938 340 HA THR 39 HA THR 39 3.586 1.578 -8.974 341 HB THR 39 HB THR 39 4.665 3.875 -9.382 342 HG1 THR 39 HG1 THR 39 3.406 4.995 -7.839 343 1HG2 THR 39 HG21 THR 39 3.430 2.601 -11.124 344 2HG2 THR 39 HG22 THR 39 1.907 3.337 -10.574 345 3HG2 THR 39 HG23 THR 39 3.177 4.353 -11.294 346 H SER 40 H SER 40 5.886 2.180 -8.259 347 HA SER 40 HA SER 40 6.280 1.476 -5.581 348 1HB SER 40 HB2 SER 40 8.625 2.399 -6.008 349 2HB SER 40 HB1 SER 40 8.041 1.182 -7.168 350 HG SER 40 HG SER 40 8.958 3.003 -8.211 351 H VAL 41 H VAL 41 6.442 4.760 -7.077 352 HA VAL 41 HA VAL 41 7.111 6.142 -4.700 353 HB VAL 41 HB VAL 41 6.304 8.164 -5.904 354 1HG1 VAL 41 HG12 VAL 41 8.551 7.166 -6.345 355 2HG1 VAL 41 HG11 VAL 41 7.848 6.223 -7.681 356 3HG1 VAL 41 HG13 VAL 41 7.884 7.999 -7.769 357 1HG2 VAL 41 HG21 VAL 41 5.308 6.124 -7.947 358 2HG2 VAL 41 HG23 VAL 41 4.323 7.285 -7.028 359 3HG2 VAL 41 HG22 VAL 41 5.466 7.866 -8.256 360 H MET 42 H MET 42 3.904 5.203 -6.026 361 HA MET 42 HA MET 42 2.367 6.754 -4.173 362 1HB MET 42 HB1 MET 42 1.812 4.323 -5.903 363 2HB MET 42 HB2 MET 42 0.586 4.943 -4.778 364 1HG MET 42 HG2 MET 42 1.991 6.647 -6.871 365 2HG MET 42 HG1 MET 42 0.438 5.848 -7.143 366 1HE MET 42 HE2 MET 42 -1.741 6.378 -6.016 367 2HE MET 42 HE1 MET 42 -1.135 6.238 -4.349 368 3HE MET 42 HE3 MET 42 -2.035 7.687 -4.848 369 H LEU 43 H LEU 43 3.340 3.285 -4.212 370 HA LEU 43 HA LEU 43 2.164 2.567 -1.749 371 1HB LEU 43 HB2 LEU 43 4.690 1.541 -3.110 372 2HB LEU 43 HB1 LEU 43 3.854 0.724 -1.772 373 HG LEU 43 HG LEU 43 2.220 1.477 -4.184 374 1HD1 LEU 43 HD13 LEU 43 4.419 0.423 -4.974 375 2HD1 LEU 43 HD12 LEU 43 3.910 -1.046 -4.113 376 3HD1 LEU 43 HD11 LEU 43 2.935 -0.411 -5.455 377 1HD2 LEU 43 HD23 LEU 43 2.303 -0.941 -2.321 378 2HD2 LEU 43 HD22 LEU 43 1.189 0.438 -2.185 379 3HD2 LEU 43 HD21 LEU 43 1.089 -0.647 -3.588 380 H LYS 44 H LYS 44 5.455 3.833 -2.481 381 HA LYS 44 HA LYS 44 6.453 3.667 0.168 382 1HB LYS 44 H LYS 44 7.727 4.005 -2.020 383 2HB LYS 44 H LYS 44 7.239 5.714 -1.940 384 1HG LYS 44 H LYS 44 8.306 5.897 0.301 385 2HG LYS 44 H LYS 44 8.803 4.192 0.190 386 1HD LYS 44 H LYS 44 10.161 4.686 -1.802 387 2HD LYS 44 H LYS 44 9.606 6.377 -1.784 388 1HE LYS 44 H LYS 44 11.813 6.273 -0.760 389 2HE LYS 44 H LYS 44 10.616 6.636 0.502 390 1HZ LYS 44 H LYS 44 11.723 3.973 -0.067 391 2HZ LYS 44 H LYS 44 12.193 4.957 1.170 392 3HZ LYS 44 H LYS 44 10.661 4.349 1.138 393 H ASP 45 H ASP 45 5.000 6.466 -1.612 394 HA ASP 45 HA ASP 45 5.231 8.337 0.494 395 1HB ASP 45 H ASP 45 4.748 9.025 -1.774 396 2HB ASP 45 H ASP 45 3.236 8.090 -1.791 397 H ARG 46 H ARG 46 2.428 6.245 -0.419 398 HA ARG 46 HA ARG 46 0.758 7.153 1.701 399 1HB ARG 46 H ARG 46 0.788 4.563 0.100 400 2HB ARG 46 H ARG 46 -0.521 5.038 1.204 401 1HG ARG 46 H ARG 46 0.422 6.703 -1.182 402 2HG ARG 46 H ARG 46 -0.986 5.629 -1.193 403 1HD ARG 46 H ARG 46 -2.100 7.530 -0.610 404 2HD ARG 46 H ARG 46 -1.562 7.082 1.024 405 HE ARG 46 H ARG 46 0.478 8.639 -0.240 406 1HH1 ARG 46 H ARG 46 -2.805 8.948 1.072 407 2HH1 ARG 46 H ARG 46 -2.604 10.625 1.526 408 1HH2 ARG 46 H ARG 46 0.721 10.834 0.303 409 2HH2 ARG 46 H ARG 46 -0.592 11.714 1.070 410 H TRP 47 H TRP 47 3.011 4.341 1.460 411 HA TRP 47 HA TRP 47 2.360 3.139 3.899 412 1HB TRP 47 HB1 TRP 47 3.825 2.102 2.257 413 2HB TRP 47 HB2 TRP 47 5.046 3.356 2.514 414 HD1 TRP 47 HD1 TRP 47 6.975 2.244 3.685 415 HE1 TRP 47 HE1 TRP 47 7.353 0.680 5.694 416 HE3 TRP 47 HE3 TRP 47 2.092 1.302 4.907 417 HZ2 TRP 47 HZ2 TRP 47 5.755 -0.773 7.558 418 HZ3 TRP 47 HZ3 TRP 47 1.567 -0.152 6.831 419 HH2 TRP 47 HH2 TRP 47 3.379 -1.212 8.149 420 H ARG 48 H ARG 48 4.694 5.791 3.231 421 HA ARG 48 HA ARG 48 5.835 6.084 5.748 422 1HB ARG 48 H ARG 48 6.396 7.366 3.663 423 2HB ARG 48 H ARG 48 4.925 8.335 3.906 424 1HG ARG 48 H ARG 48 5.761 9.115 6.082 425 2HG ARG 48 H ARG 48 7.205 8.087 5.919 426 1HD ARG 48 H ARG 48 7.960 9.338 3.983 427 2HD ARG 48 H ARG 48 6.445 10.258 3.918 428 HE ARG 48 H ARG 48 8.736 10.732 5.666 429 1HH1 ARG 48 H ARG 48 5.237 11.152 5.278 430 2HH1 ARG 48 H ARG 48 5.158 12.573 6.292 431 1HH2 ARG 48 H ARG 48 8.627 12.622 6.985 432 2HH2 ARG 48 H ARG 48 7.089 13.401 7.280 433 H THR 49 H THR 49 2.612 7.187 4.621 434 HA THR 49 HA THR 49 2.027 8.586 7.105 435 HB THR 49 HB THR 49 0.149 7.698 4.874 436 HG1 THR 49 HG1 THR 49 0.645 9.652 3.945 437 1HG2 THR 49 HG22 THR 49 0.009 9.920 6.963 438 2HG2 THR 49 HG23 THR 49 -1.169 9.665 5.654 439 3HG2 THR 49 HG21 THR 49 -0.985 8.443 6.933 440 H MET 50 H MET 50 1.112 5.432 5.604 441 HA MET 50 HA MET 50 -0.764 4.638 7.574 442 1HB MET 50 HB1 MET 50 0.886 3.282 5.476 443 2HB MET 50 HB2 MET 50 0.181 2.256 6.742 444 1HG MET 50 HG2 MET 50 -1.390 2.373 4.918 445 2HG MET 50 HG1 MET 50 -2.051 3.286 6.280 446 1HE MET 50 HE1 MET 50 -3.831 4.163 4.492 447 2HE MET 50 HE2 MET 50 -3.396 5.067 3.020 448 3HE MET 50 HE3 MET 50 -2.986 3.338 3.157 449 H LYS 51 H LYS 51 2.806 4.535 7.586 450 HA LYS 51 HA LYS 51 3.132 2.666 9.712 451 1HB LYS 51 H LYS 51 4.797 5.006 8.717 452 2HB LYS 51 H LYS 51 5.315 3.979 10.075 453 1HG LYS 51 H LYS 51 5.006 1.966 8.574 454 2HG LYS 51 H LYS 51 4.712 3.084 7.229 455 1HD LYS 51 H LYS 51 6.987 2.805 6.962 456 2HD LYS 51 H LYS 51 7.012 4.162 8.107 457 1HE LYS 51 H LYS 51 7.415 2.693 9.971 458 2HE LYS 51 H LYS 51 7.041 1.250 9.003 459 1HZ LYS 51 H LYS 51 9.325 3.036 8.542 460 2HZ LYS 51 H LYS 51 9.394 1.577 9.305 461 3HZ LYS 51 H LYS 51 8.983 1.651 7.708 462 H LYS 52 H LYS 52 2.209 6.092 9.661 463 HA LYS 52 HA LYS 52 2.465 6.306 12.597 464 1HB LYS 52 H LYS 52 1.597 8.265 10.430 465 2HB LYS 52 H LYS 52 1.692 8.658 12.161 466 1HG LYS 52 H LYS 52 4.050 7.617 10.516 467 2HG LYS 52 H LYS 52 3.731 9.338 10.824 468 1HD LYS 52 H LYS 52 4.902 9.124 12.745 469 2HD LYS 52 H LYS 52 3.562 8.136 13.368 470 1HE LYS 52 H LYS 52 4.672 6.123 12.268 471 2HE LYS 52 H LYS 52 6.066 7.166 11.922 472 1HZ LYS 52 H LYS 52 6.266 7.556 14.275 473 2HZ LYS 52 H LYS 52 4.976 6.576 14.588 474 3HZ LYS 52 H LYS 52 6.356 5.943 13.944 475 H LEU 53 H LEU 53 -0.057 6.453 10.031 476 HA LEU 53 HA LEU 53 -2.152 6.240 12.123 477 1HB LEU 53 HB2 LEU 53 -2.067 7.960 10.122 478 2HB LEU 53 HB1 LEU 53 -2.672 6.595 9.161 479 HG LEU 53 HG LEU 53 -3.964 7.594 11.746 480 1HD1 LEU 53 HD13 LEU 53 -4.732 8.090 8.836 481 2HD1 LEU 53 HD12 LEU 53 -5.680 8.584 10.259 482 3HD1 LEU 53 HD11 LEU 53 -4.080 9.302 9.964 483 1HD2 LEU 53 HD21 LEU 53 -4.780 5.578 9.610 484 2HD2 LEU 53 HD22 LEU 53 -4.553 5.291 11.353 485 3HD2 LEU 53 HD23 LEU 53 -5.926 6.266 10.785 No H/Q in entry = 485 Start of MODEL 16 1 1H ARG 1 H1 ARG 1 -12.098 18.232 -3.250 2 2H ARG 1 H2 ARG 1 -12.998 16.851 -3.216 3 3H ARG 1 H3 ARG 1 -13.525 18.198 -2.424 4 HA ARG 1 HA ARG 1 -11.698 18.110 -0.909 5 1HB ARG 1 H ARG 1 -13.857 16.935 -0.413 6 2HB ARG 1 H ARG 1 -13.170 15.446 -1.100 7 1HG ARG 1 H ARG 1 -11.467 15.349 0.617 8 2HG ARG 1 H ARG 1 -11.852 16.991 1.179 9 1HD ARG 1 H ARG 1 -12.791 15.123 2.624 10 2HD ARG 1 H ARG 1 -13.988 16.293 2.035 11 HE ARG 1 H ARG 1 -15.024 14.617 0.830 12 1HH1 ARG 1 H ARG 1 -11.755 13.553 1.722 13 2HH1 ARG 1 H ARG 1 -12.000 11.913 1.163 14 1HH2 ARG 1 H ARG 1 -15.325 12.449 0.113 15 2HH2 ARG 1 H ARG 1 -14.021 11.286 0.244 16 H LYS 2 H LYS 2 -9.861 18.136 -2.568 17 HA LYS 2 HA LYS 2 -7.984 17.219 -3.540 18 1HB LYS 2 H LYS 2 -8.107 15.797 -0.847 19 2HB LYS 2 H LYS 2 -6.680 15.778 -1.908 20 1HG LYS 2 H LYS 2 -8.002 18.326 -0.867 21 2HG LYS 2 H LYS 2 -6.600 17.541 -0.105 22 1HD LYS 2 H LYS 2 -5.540 17.675 -2.514 23 2HD LYS 2 H LYS 2 -6.774 18.926 -2.795 24 1HE LYS 2 H LYS 2 -4.728 18.915 -0.528 25 2HE LYS 2 H LYS 2 -4.633 19.904 -2.001 26 1HZ LYS 2 H LYS 2 -6.683 20.953 -1.345 27 2HZ LYS 2 H LYS 2 -6.750 20.049 0.032 28 3HZ LYS 2 H LYS 2 -5.530 21.137 -0.180 29 H ARG 3 H ARG 3 -8.053 14.149 -1.965 30 HA ARG 3 HA ARG 3 -9.463 12.801 -4.173 31 1HB ARG 3 H ARG 3 -6.838 13.155 -4.583 32 2HB ARG 3 H ARG 3 -6.711 11.797 -3.443 33 1HG ARG 3 H ARG 3 -6.986 10.496 -5.297 34 2HG ARG 3 H ARG 3 -8.707 10.899 -5.124 35 1HD ARG 3 H ARG 3 -6.638 12.229 -6.918 36 2HD ARG 3 H ARG 3 -8.113 11.365 -7.405 37 HE ARG 3 H ARG 3 -8.667 13.664 -5.709 38 1HH1 ARG 3 H ARG 3 -7.968 12.630 -9.028 39 2HH1 ARG 3 H ARG 3 -8.783 13.992 -9.760 40 1HH2 ARG 3 H ARG 3 -9.672 15.474 -6.668 41 2HH2 ARG 3 H ARG 3 -9.770 15.612 -8.412 42 H GLN 4 H GLN 4 -10.276 10.775 -3.547 43 HA GLN 4 HA GLN 4 -10.624 10.412 -0.720 44 1HB GLN 4 HB1 GLN 4 -12.338 9.819 -2.414 45 2HB GLN 4 HB2 GLN 4 -11.254 8.576 -3.077 46 1HG GLN 4 HG1 GLN 4 -12.978 7.638 -1.524 47 2HG GLN 4 HG2 GLN 4 -11.320 7.328 -0.980 48 1HE2 GLN 4 HE21 GLN 4 -12.241 8.503 2.207 49 2HE2 GLN 4 HE22 GLN 4 -11.613 7.198 1.223 50 H ALA 5 H ALA 5 -9.793 8.808 0.648 51 HA ALA 5 HA ALA 5 -7.083 8.021 0.150 52 1HB ALA 5 HB3 ALA 5 -8.023 8.508 2.397 53 2HB ALA 5 HB2 ALA 5 -9.061 7.068 2.265 54 3HB ALA 5 HB1 ALA 5 -7.290 6.888 2.323 55 H TRP 6 H TRP 6 -6.471 5.602 0.647 56 HA TRP 6 HA TRP 6 -7.401 4.040 -1.569 57 1HB TRP 6 HB2 TRP 6 -5.731 3.401 0.886 58 2HB TRP 6 HB1 TRP 6 -6.034 2.243 -0.410 59 HD1 TRP 6 HD1 TRP 6 -5.322 5.835 -1.404 60 HE1 TRP 6 HE1 TRP 6 -3.001 6.018 -2.500 61 HE3 TRP 6 HE3 TRP 6 -3.606 1.114 -0.436 62 HZ2 TRP 6 HZ2 TRP 6 -0.712 4.346 -2.869 63 HZ3 TRP 6 HZ3 TRP 6 -1.346 0.448 -1.197 64 HH2 TRP 6 HH2 TRP 6 0.081 2.048 -2.441 65 H LEU 7 H LEU 7 -8.275 1.785 -1.341 66 HA LEU 7 HA LEU 7 -10.685 1.838 0.281 67 1HB LEU 7 HB2 LEU 7 -9.436 -0.374 -1.403 68 2HB LEU 7 HB1 LEU 7 -11.085 -0.385 -0.745 69 HG LEU 7 HG LEU 7 -10.020 1.747 -2.660 70 1HD1 LEU 7 HD12 LEU 7 -10.101 -0.485 -3.730 71 2HD1 LEU 7 HD11 LEU 7 -11.786 -0.682 -3.193 72 3HD1 LEU 7 HD13 LEU 7 -11.370 0.582 -4.375 73 1HD2 LEU 7 HD23 LEU 7 -12.778 1.076 -1.547 74 2HD2 LEU 7 HD21 LEU 7 -11.870 2.593 -1.349 75 3HD2 LEU 7 HD22 LEU 7 -12.518 2.150 -2.943 76 H TRP 8 H TRP 8 -11.274 -0.045 1.696 77 HA TRP 8 HA TRP 8 -9.494 -0.249 3.876 78 1HB TRP 8 HB1 TRP 8 -11.061 -1.879 4.744 79 2HB TRP 8 HB2 TRP 8 -11.955 -0.567 3.967 80 HD1 TRP 8 HD1 TRP 8 -13.262 -1.137 1.735 81 HE1 TRP 8 HE1 TRP 8 -14.118 -3.325 0.679 82 HE3 TRP 8 HE3 TRP 8 -10.497 -4.474 4.450 83 HZ2 TRP 8 HZ2 TRP 8 -13.663 -6.129 0.986 84 HZ3 TRP 8 HZ3 TRP 8 -10.734 -6.905 4.035 85 HH2 TRP 8 HH2 TRP 8 -12.312 -7.738 2.311 86 H GLU 9 H GLU 9 -10.165 -2.524 1.169 87 HA GLU 9 HA GLU 9 -8.462 -4.602 2.151 88 1HB GLU 9 H GLU 9 -8.738 -5.561 -0.095 89 2HB GLU 9 H GLU 9 -10.291 -4.979 0.541 90 1HG GLU 9 H GLU 9 -9.779 -2.779 -0.745 91 2HG GLU 9 H GLU 9 -8.532 -3.719 -1.589 92 H GLU 10 H GLU 10 -7.933 -1.827 -0.063 93 HA GLU 10 HA GLU 10 -5.318 -2.584 -0.908 94 1HB GLU 10 H GLU 10 -6.694 0.117 -0.657 95 2HB GLU 10 H GLU 10 -5.122 -0.129 -1.450 96 1HG GLU 10 H GLU 10 -6.147 -1.720 -3.029 97 2HG GLU 10 H GLU 10 -7.719 -1.519 -2.233 98 H ASP 11 H ASP 11 -6.498 -0.551 1.825 99 HA ASP 11 HA ASP 11 -3.925 0.176 2.810 100 1HB ASP 11 H ASP 11 -5.953 1.323 3.517 101 2HB ASP 11 H ASP 11 -6.608 -0.178 4.205 102 H LYS 12 H LYS 12 -6.143 -2.541 3.630 103 HA LYS 12 HA LYS 12 -4.550 -3.736 5.633 104 1HB LYS 12 H LYS 12 -6.993 -4.225 4.770 105 2HB LYS 12 H LYS 12 -6.184 -5.359 3.669 106 1HG LYS 12 H LYS 12 -6.675 -6.693 5.560 107 2HG LYS 12 H LYS 12 -4.975 -6.238 5.806 108 1HD LYS 12 H LYS 12 -5.718 -5.603 7.879 109 2HD LYS 12 H LYS 12 -6.216 -4.126 7.026 110 1HE LYS 12 H LYS 12 -7.972 -6.577 7.514 111 2HE LYS 12 H LYS 12 -8.055 -5.053 8.420 112 1HZ LYS 12 H LYS 12 -8.597 -3.950 6.355 113 2HZ LYS 12 H LYS 12 -8.578 -5.389 5.551 114 3HZ LYS 12 H LYS 12 -9.703 -5.117 6.726 115 H ASN 13 H ASN 13 -4.613 -4.215 2.081 116 HA ASN 13 HA ASN 13 -2.715 -6.300 1.921 117 1HB ASN 13 HB2 ASN 13 -3.503 -4.058 0.024 118 2HB ASN 13 HB1 ASN 13 -2.327 -5.303 -0.417 119 1HD2 ASN 13 HD21 ASN 13 -5.521 -6.545 -1.748 120 2HD2 ASN 13 HD22 ASN 13 -4.299 -5.339 -2.105 121 H LEU 14 H LEU 14 -2.291 -2.723 1.895 122 HA LEU 14 HA LEU 14 0.506 -2.736 1.417 123 1HB LEU 14 HB2 LEU 14 -0.838 -0.727 1.144 124 2HB LEU 14 HB1 LEU 14 -1.314 -0.758 2.853 125 HG LEU 14 HG LEU 14 1.075 -0.416 3.510 126 1HD1 LEU 14 HD11 LEU 14 1.469 -0.162 0.499 127 2HD1 LEU 14 HD12 LEU 14 2.675 0.297 1.718 128 3HD1 LEU 14 HD13 LEU 14 2.182 -1.400 1.550 129 1HD2 LEU 14 HD21 LEU 14 -0.046 1.611 1.527 130 2HD2 LEU 14 HD22 LEU 14 -0.431 1.518 3.264 131 3HD2 LEU 14 HD23 LEU 14 1.214 1.945 2.736 132 H ARG 15 H ARG 15 -1.293 -2.391 4.530 133 HA ARG 15 HA ARG 15 0.948 -2.360 6.225 134 1HB ARG 15 H ARG 15 -1.899 -3.357 6.621 135 2HB ARG 15 H ARG 15 -0.724 -3.215 7.950 136 1HG ARG 15 H ARG 15 -0.678 -0.880 7.843 137 2HG ARG 15 H ARG 15 -1.154 -0.841 6.130 138 1HD ARG 15 H ARG 15 -3.007 -0.057 7.514 139 2HD ARG 15 H ARG 15 -3.434 -1.610 6.762 140 HE ARG 15 H ARG 15 -2.304 -2.195 9.275 141 1HH1 ARG 15 H ARG 15 -5.138 -0.545 7.919 142 2HH1 ARG 15 H ARG 15 -6.133 -0.823 9.337 143 1HH2 ARG 15 H ARG 15 -3.647 -2.607 11.105 144 2HH2 ARG 15 H ARG 15 -5.297 -2.028 11.132 145 H SER 16 H SER 16 -1.031 -5.195 5.163 146 HA SER 16 HA SER 16 0.425 -7.127 6.660 147 1HB SER 16 HB1 SER 16 -1.834 -7.490 5.722 148 2HB SER 16 HB2 SER 16 -1.165 -7.429 4.074 149 HG SER 16 HG SER 16 -0.425 -9.279 6.105 150 H GLY 17 H GLY 17 0.621 -6.324 3.135 151 1HA GLY 17 HA1 GLY 17 2.684 -8.104 2.479 152 2HA GLY 17 HA2 GLY 17 2.321 -6.593 1.620 153 H VAL 18 H VAL 18 2.922 -4.667 3.552 154 HA VAL 18 HA VAL 18 5.737 -4.468 3.263 155 HB VAL 18 HB VAL 18 3.694 -3.020 4.979 156 1HG1 VAL 18 HG12 VAL 18 6.705 -2.663 4.793 157 2HG1 VAL 18 HG11 VAL 18 5.623 -1.326 5.228 158 3HG1 VAL 18 HG13 VAL 18 5.693 -2.772 6.253 159 1HG2 VAL 18 HG23 VAL 18 3.762 -2.775 2.438 160 2HG2 VAL 18 HG21 VAL 18 3.999 -1.262 3.346 161 3HG2 VAL 18 HG22 VAL 18 5.394 -2.096 2.626 162 H ARG 19 H ARG 19 3.716 -5.448 6.091 163 HA ARG 19 HA ARG 19 5.956 -5.694 7.871 164 1HB ARG 19 H ARG 19 3.097 -6.704 7.882 165 2HB ARG 19 H ARG 19 4.240 -7.106 9.187 166 1HG ARG 19 H ARG 19 4.654 -4.708 9.594 167 2HG ARG 19 H ARG 19 3.552 -4.277 8.264 168 1HD ARG 19 H ARG 19 1.680 -5.369 9.448 169 2HD ARG 19 H ARG 19 2.780 -5.839 10.766 170 HE ARG 19 H ARG 19 2.860 -2.991 10.298 171 1HH1 ARG 19 H ARG 19 0.867 -5.556 11.710 172 2HH1 ARG 19 H ARG 19 0.164 -4.524 12.932 173 1HH2 ARG 19 H ARG 19 1.928 -1.633 11.913 174 2HH2 ARG 19 H ARG 19 0.758 -2.282 13.038 175 H LYS 20 H LYS 20 5.170 -7.564 5.141 176 HA LYS 20 HA LYS 20 6.344 -10.037 6.330 177 1HB LYS 20 H LYS 20 4.632 -9.489 3.883 178 2HB LYS 20 H LYS 20 5.499 -11.024 4.117 179 1HG LYS 20 H LYS 20 4.278 -11.537 6.103 180 2HG LYS 20 H LYS 20 3.662 -9.874 6.248 181 1HD LYS 20 H LYS 20 1.940 -11.466 5.373 182 2HD LYS 20 H LYS 20 2.303 -10.146 4.237 183 1HE LYS 20 H LYS 20 3.668 -11.576 2.866 184 2HE LYS 20 H LYS 20 3.678 -12.860 4.096 185 1HZ LYS 20 H LYS 20 1.295 -11.923 2.653 186 2HZ LYS 20 H LYS 20 2.152 -13.287 2.288 187 3HZ LYS 20 H LYS 20 1.362 -13.171 3.729 188 H TYR 21 H TYR 21 6.443 -8.081 3.285 189 HA TYR 21 HA TYR 21 9.065 -9.285 2.650 190 1HB TYR 21 HB2 TYR 21 7.211 -7.468 1.079 191 2HB TYR 21 HB1 TYR 21 8.696 -8.205 0.463 192 HD1 TYR 21 HD1 TYR 21 8.826 -10.861 0.771 193 HD2 TYR 21 HD2 TYR 21 5.181 -8.572 0.690 194 HE1 TYR 21 HE1 TYR 21 7.554 -12.905 0.152 195 HE2 TYR 21 HE2 TYR 21 3.915 -10.615 0.067 196 HH TYR 21 HH TYR 21 5.508 -13.775 -0.415 197 H GLY 22 H GLY 22 7.759 -6.285 3.907 198 1HA GLY 22 HA1 GLY 22 9.241 -4.738 5.004 199 2HA GLY 22 HA2 GLY 22 10.511 -5.137 3.830 200 H GLU 23 H GLU 23 9.493 -2.481 4.545 201 HA GLU 23 HA GLU 23 7.842 -1.581 2.315 202 1HB GLU 23 H GLU 23 8.465 0.723 3.342 203 2HB GLU 23 H GLU 23 7.446 -0.374 4.290 204 1HG GLU 23 H GLU 23 9.312 -1.054 5.672 205 2HG GLU 23 H GLU 23 10.469 -0.210 4.622 206 H GLY 24 H GLY 24 9.425 -2.615 0.764 207 1HA GLY 24 HA1 GLY 24 10.987 -0.543 -0.492 208 2HA GLY 24 HA2 GLY 24 12.027 -1.760 0.283 209 H ASN 25 H ASN 25 10.418 -4.071 -0.085 210 HA ASN 25 HA ASN 25 11.000 -4.636 -2.888 211 1HB ASN 25 HB2 ASN 25 9.780 -6.301 -0.645 212 2HB ASN 25 HB1 ASN 25 10.211 -6.921 -2.254 213 1HD2 ASN 25 HD21 ASN 25 13.036 -6.628 0.628 214 2HD2 ASN 25 HD22 ASN 25 11.314 -6.474 0.918 215 H TRP 26 H TRP 26 9.317 -2.716 -3.269 216 HA TRP 26 HA TRP 26 6.525 -3.309 -3.076 217 1HB TRP 26 HB2 TRP 26 7.935 -1.466 -5.026 218 2HB TRP 26 HB1 TRP 26 6.253 -1.372 -4.486 219 HD1 TRP 26 HD1 TRP 26 9.415 0.225 -3.917 220 HE1 TRP 26 HE1 TRP 26 9.536 1.510 -1.692 221 HE3 TRP 26 HE3 TRP 26 5.327 -1.798 -1.594 222 HZ2 TRP 26 HZ2 TRP 26 8.060 1.643 0.746 223 HZ3 TRP 26 HZ3 TRP 26 4.709 -1.050 0.684 224 HH2 TRP 26 HH2 TRP 26 6.065 0.664 1.862 225 H SER 27 H SER 27 9.031 -4.029 -5.472 226 HA SER 27 HA SER 27 7.501 -4.527 -7.747 227 1HB SER 27 HB1 SER 27 9.913 -6.132 -6.816 228 2HB SER 27 HB2 SER 27 9.373 -5.859 -8.491 229 HG SER 27 HG SER 27 9.760 -3.624 -8.149 230 H LYS 28 H LYS 28 8.434 -6.939 -5.190 231 HA LYS 28 HA LYS 28 6.777 -8.967 -6.437 232 1HB LYS 28 H LYS 28 7.479 -10.394 -4.632 233 2HB LYS 28 H LYS 28 8.883 -9.460 -5.190 234 1HG LYS 28 H LYS 28 8.346 -7.804 -3.300 235 2HG LYS 28 H LYS 28 7.230 -9.033 -2.670 236 1HD LYS 28 H LYS 28 10.226 -9.375 -3.158 237 2HD LYS 28 H LYS 28 9.420 -9.249 -1.577 238 1HE LYS 28 H LYS 28 8.068 -11.313 -2.222 239 2HE LYS 28 H LYS 28 9.137 -11.484 -3.630 240 1HZ LYS 28 H LYS 28 10.022 -11.451 -0.831 241 2HZ LYS 28 H LYS 28 9.855 -12.799 -1.765 242 3HZ LYS 28 H LYS 28 10.984 -11.661 -2.153 243 H ILE 29 H ILE 29 6.373 -6.625 -3.754 244 HA ILE 29 HA ILE 29 4.067 -7.762 -2.570 245 HB ILE 29 HB ILE 29 5.121 -4.935 -2.838 246 1HG1 ILE 29 HG12 ILE 29 4.601 -6.668 -0.388 247 2HG1 ILE 29 HG11 ILE 29 6.128 -6.724 -1.294 248 1HG2 ILE 29 HG21 ILE 29 2.537 -5.836 -1.489 249 2HG2 ILE 29 HG23 ILE 29 3.315 -4.263 -1.210 250 3HG2 ILE 29 HG22 ILE 29 2.693 -4.664 -2.821 251 1HD1 ILE 29 HD12 ILE 29 6.330 -4.217 -0.938 252 2HD1 ILE 29 HD13 ILE 29 4.931 -4.323 0.154 253 3HD1 ILE 29 HD11 ILE 29 6.432 -5.186 0.548 254 H LEU 30 H LEU 30 4.473 -5.756 -5.504 255 HA LEU 30 HA LEU 30 1.758 -5.167 -6.009 256 1HB LEU 30 HB2 LEU 30 3.663 -4.132 -7.190 257 2HB LEU 30 HB1 LEU 30 4.060 -5.693 -7.939 258 HG LEU 30 HG LEU 30 1.870 -5.707 -9.104 259 1HD1 LEU 30 HD13 LEU 30 1.514 -3.110 -7.567 260 2HD1 LEU 30 HD12 LEU 30 0.605 -3.448 -9.059 261 3HD1 LEU 30 HD11 LEU 30 0.417 -4.508 -7.645 262 1HD2 LEU 30 HD22 LEU 30 3.839 -4.661 -10.185 263 2HD2 LEU 30 HD23 LEU 30 2.330 -3.842 -10.656 264 3HD2 LEU 30 HD21 LEU 30 3.409 -3.099 -9.450 265 H LEU 31 H LEU 31 3.624 -8.153 -6.482 266 HA LEU 31 HA LEU 31 1.531 -9.368 -8.152 267 1HB LEU 31 HB2 LEU 31 4.147 -10.416 -6.991 268 2HB LEU 31 HB1 LEU 31 3.083 -11.343 -8.067 269 HG LEU 31 HG LEU 31 4.282 -8.629 -8.795 270 1HD1 LEU 31 HD13 LEU 31 6.062 -10.315 -8.461 271 2HD1 LEU 31 HD11 LEU 31 5.208 -11.436 -9.547 272 3HD1 LEU 31 HD12 LEU 31 5.876 -9.914 -10.185 273 1HD2 LEU 31 HD22 LEU 31 2.797 -10.794 -10.348 274 2HD2 LEU 31 HD23 LEU 31 2.312 -9.097 -10.113 275 3HD2 LEU 31 HD21 LEU 31 3.711 -9.486 -11.133 276 H HIS 32 H HIS 32 3.009 -9.918 -4.904 277 HA HIS 32 HA HIS 32 1.313 -12.096 -4.209 278 1HB HIS 32 HB2 HIS 32 2.828 -10.086 -2.506 279 2HB HIS 32 HB1 HIS 32 2.059 -11.554 -1.876 280 HD1 HIS 32 HD1 HIS 32 2.934 -13.874 -3.265 281 HD2 HIS 32 HD2 HIS 32 5.446 -10.533 -3.142 282 HE1 HIS 32 HE1 HIS 32 5.297 -14.665 -3.779 283 H TYR 33 H TYR 33 0.910 -8.557 -3.873 284 HA TYR 33 HA TYR 33 -1.803 -9.070 -2.719 285 1HB TYR 33 HB2 TYR 33 0.236 -6.901 -2.160 286 2HB TYR 33 HB1 TYR 33 -1.474 -6.740 -1.737 287 HD1 TYR 33 HD2 TYR 33 1.646 -8.635 -1.052 288 HD2 TYR 33 HD1 TYR 33 -2.447 -7.970 0.100 289 HE1 TYR 33 HE2 TYR 33 2.023 -9.912 1.046 290 HE2 TYR 33 HE1 TYR 33 -2.064 -9.234 2.200 291 HH TYR 33 HH TYR 33 -0.390 -10.102 3.617 292 H LYS 34 H LYS 34 -3.515 -8.102 -3.666 293 HA LYS 34 HA LYS 34 -3.233 -7.105 -6.334 294 1HB LYS 34 H LYS 34 -5.205 -8.367 -5.470 295 2HB LYS 34 H LYS 34 -5.594 -7.003 -4.402 296 1HG LYS 34 H LYS 34 -6.992 -6.619 -6.257 297 2HG LYS 34 H LYS 34 -5.604 -5.574 -6.599 298 1HD LYS 34 H LYS 34 -5.899 -6.669 -8.655 299 2HD LYS 34 H LYS 34 -4.659 -7.677 -7.879 300 1HE LYS 34 H LYS 34 -6.308 -9.180 -8.771 301 2HE LYS 34 H LYS 34 -6.547 -9.157 -7.013 302 1HZ LYS 34 H LYS 34 -8.099 -7.594 -8.959 303 2HZ LYS 34 H LYS 34 -8.603 -8.985 -8.230 304 3HZ LYS 34 H LYS 34 -8.343 -7.629 -7.329 305 H PHE 35 H PHE 35 -3.003 -5.076 -7.088 306 HA PHE 35 HA PHE 35 -3.759 -2.764 -5.437 307 1HB PHE 35 HB2 PHE 35 -0.927 -3.479 -6.214 308 2HB PHE 35 HB1 PHE 35 -1.415 -1.789 -6.057 309 HD1 PHE 35 HD1 PHE 35 -2.910 -1.378 -3.790 310 HD2 PHE 35 HD2 PHE 35 0.131 -4.383 -4.336 311 HE1 PHE 35 HE1 PHE 35 -2.577 -1.493 -1.338 312 HE2 PHE 35 HE2 PHE 35 0.459 -4.485 -1.880 313 HZ PHE 35 HZ PHE 35 -0.891 -3.040 -0.391 314 H ASN 36 H ASN 36 -4.992 -1.627 -6.799 315 HA ASN 36 HA ASN 36 -4.594 -1.872 -9.707 316 1HB ASN 36 HB2 ASN 36 -6.702 -0.487 -7.997 317 2HB ASN 36 HB1 ASN 36 -6.715 -0.535 -9.773 318 1HD2 ASN 36 HD22 ASN 36 -8.931 -3.283 -8.599 319 2HD2 ASN 36 HD21 ASN 36 -8.902 -1.536 -8.507 320 H ASN 37 H ASN 37 -3.172 -0.564 -10.671 321 HA ASN 37 HA ASN 37 -1.921 1.272 -11.208 322 1HB ASN 37 HB1 ASN 37 -4.214 2.864 -9.987 323 2HB ASN 37 HB2 ASN 37 -3.029 3.432 -11.181 324 1HD2 ASN 37 HD22 ASN 37 -6.375 1.423 -12.360 325 2HD2 ASN 37 HD21 ASN 37 -6.059 1.842 -10.690 326 H ARG 38 H ARG 38 -1.692 0.024 -8.474 327 HA ARG 38 HA ARG 38 -0.403 2.336 -7.079 328 1HB ARG 38 H ARG 38 -2.392 0.383 -6.181 329 2HB ARG 38 H ARG 38 -0.911 0.288 -5.203 330 1HG ARG 38 H ARG 38 -2.460 1.906 -4.227 331 2HG ARG 38 H ARG 38 -1.006 2.731 -4.823 332 1HD ARG 38 H ARG 38 -2.182 3.943 -6.336 333 2HD ARG 38 H ARG 38 -3.118 2.536 -6.864 334 HE ARG 38 H ARG 38 -3.903 4.535 -4.903 335 1HH1 ARG 38 H ARG 38 -4.660 1.472 -6.472 336 2HH1 ARG 38 H ARG 38 -5.992 1.078 -5.398 337 1HH2 ARG 38 H ARG 38 -5.760 4.090 -3.563 338 2HH2 ARG 38 H ARG 38 -6.636 2.581 -3.753 339 H THR 39 H THR 39 1.780 2.137 -7.284 340 HA THR 39 HA THR 39 3.047 -0.370 -6.551 341 HB THR 39 HB THR 39 2.494 -0.889 -8.879 342 HG1 THR 39 HG1 THR 39 4.632 -1.222 -9.582 343 1HG2 THR 39 HG22 THR 39 2.270 1.450 -9.707 344 2HG2 THR 39 HG21 THR 39 4.033 1.658 -9.566 345 3HG2 THR 39 HG23 THR 39 3.364 0.492 -10.730 346 H SER 40 H SER 40 5.285 -0.183 -6.233 347 HA SER 40 HA SER 40 7.106 0.902 -5.386 348 1HB SER 40 HB2 SER 40 6.716 2.366 -8.027 349 2HB SER 40 HB1 SER 40 8.228 2.332 -7.083 350 HG SER 40 HG SER 40 6.835 0.092 -8.151 351 H VAL 41 H VAL 41 6.564 3.942 -6.971 352 HA VAL 41 HA VAL 41 6.964 5.445 -4.659 353 HB VAL 41 HB VAL 41 7.279 6.207 -7.012 354 1HG1 VAL 41 HG13 VAL 41 5.069 5.276 -7.851 355 2HG1 VAL 41 HG11 VAL 41 4.259 6.631 -7.029 356 3HG1 VAL 41 HG12 VAL 41 5.406 6.949 -8.349 357 1HG2 VAL 41 HG23 VAL 41 7.144 7.807 -5.090 358 2HG2 VAL 41 HG22 VAL 41 6.577 8.517 -6.621 359 3HG2 VAL 41 HG21 VAL 41 5.400 7.987 -5.397 360 H MET 42 H MET 42 3.869 4.277 -6.055 361 HA MET 42 HA MET 42 2.193 5.997 -4.495 362 1HB MET 42 HB2 MET 42 1.609 3.228 -5.626 363 2HB MET 42 HB1 MET 42 0.405 4.421 -5.101 364 1HG MET 42 HG2 MET 42 2.389 4.723 -7.392 365 2HG MET 42 HG1 MET 42 0.645 4.484 -7.538 366 1HE MET 42 HE2 MET 42 -1.164 6.199 -6.907 367 2HE MET 42 HE1 MET 42 -0.525 6.445 -5.264 368 3HE MET 42 HE3 MET 42 -0.857 7.846 -6.308 369 H LEU 43 H LEU 43 3.256 2.587 -3.991 370 HA LEU 43 HA LEU 43 1.933 2.240 -1.497 371 1HB LEU 43 HB2 LEU 43 4.406 0.916 -2.675 372 2HB LEU 43 HB1 LEU 43 3.542 0.337 -1.234 373 HG LEU 43 HG LEU 43 1.969 0.813 -3.770 374 1HD1 LEU 43 HD12 LEU 43 3.969 -0.500 -4.453 375 2HD1 LEU 43 HD13 LEU 43 3.599 -1.692 -3.189 376 3HD1 LEU 43 HD11 LEU 43 2.471 -1.453 -4.544 377 1HD2 LEU 43 HD22 LEU 43 0.906 0.190 -1.571 378 2HD2 LEU 43 HD21 LEU 43 0.601 -0.981 -2.868 379 3HD2 LEU 43 HD23 LEU 43 1.812 -1.335 -1.614 380 H LYS 44 H LYS 44 5.276 3.268 -2.317 381 HA LYS 44 HA LYS 44 6.209 3.488 0.357 382 1HB LYS 44 H LYS 44 7.626 3.448 -1.696 383 2HB LYS 44 H LYS 44 7.024 5.067 -2.117 384 1HG LYS 44 H LYS 44 7.989 6.011 -0.077 385 2HG LYS 44 H LYS 44 8.438 4.392 0.500 386 1HD LYS 44 H LYS 44 10.383 5.610 -0.475 387 2HD LYS 44 H LYS 44 10.012 4.113 -1.359 388 1HE LYS 44 H LYS 44 10.501 6.100 -2.841 389 2HE LYS 44 H LYS 44 8.927 5.340 -3.140 390 1HZ LYS 44 H LYS 44 9.354 7.739 -1.496 391 2HZ LYS 44 H LYS 44 8.818 7.741 -3.055 392 3HZ LYS 44 H LYS 44 7.898 7.058 -1.869 393 H ASP 45 H ASP 45 4.638 5.880 -1.832 394 HA ASP 45 HA ASP 45 4.926 8.139 -0.147 395 1HB ASP 45 H ASP 45 4.334 8.345 -2.492 396 2HB ASP 45 H ASP 45 2.828 7.437 -2.237 397 H ARG 46 H ARG 46 2.188 5.785 -0.453 398 HA ARG 46 HA ARG 46 0.614 7.091 1.558 399 1HB ARG 46 H ARG 46 -0.459 5.599 -0.010 400 2HB ARG 46 H ARG 46 0.588 4.242 0.482 401 1HG ARG 46 H ARG 46 -0.383 4.191 2.696 402 2HG ARG 46 H ARG 46 -1.243 5.722 2.417 403 1HD ARG 46 H ARG 46 -2.642 4.664 0.724 404 2HD ARG 46 H ARG 46 -1.721 3.155 0.867 405 HE ARG 46 H ARG 46 -2.919 2.612 2.770 406 1HH1 ARG 46 H ARG 46 -3.431 6.026 1.954 407 2HH1 ARG 46 H ARG 46 -4.599 6.293 3.226 408 1HH2 ARG 46 H ARG 46 -4.351 3.014 4.539 409 2HH2 ARG 46 H ARG 46 -5.179 4.556 4.649 410 H TRP 47 H TRP 47 2.981 4.378 1.649 411 HA TRP 47 HA TRP 47 2.443 3.632 4.323 412 1HB TRP 47 HB2 TRP 47 3.707 2.291 2.654 413 2HB TRP 47 HB1 TRP 47 5.068 3.411 2.820 414 HD1 TRP 47 HD1 TRP 47 6.830 2.563 4.408 415 HE1 TRP 47 HE1 TRP 47 6.972 1.055 6.491 416 HE3 TRP 47 HE3 TRP 47 1.870 1.434 4.916 417 HZ2 TRP 47 HZ2 TRP 47 5.168 -0.423 8.146 418 HZ3 TRP 47 HZ3 TRP 47 1.119 -0.032 6.761 419 HH2 TRP 47 HH2 TRP 47 2.750 -0.970 8.375 420 H ARG 48 H ARG 48 5.124 5.745 3.061 421 HA ARG 48 HA ARG 48 6.212 6.260 5.612 422 1HB ARG 48 H ARG 48 7.465 8.020 4.565 423 2HB ARG 48 H ARG 48 7.319 6.685 3.410 424 1HG ARG 48 H ARG 48 6.716 8.370 1.980 425 2HG ARG 48 H ARG 48 5.122 8.098 2.701 426 1HD ARG 48 H ARG 48 5.687 10.503 2.643 427 2HD ARG 48 H ARG 48 5.514 9.937 4.307 428 HE ARG 48 H ARG 48 8.114 10.464 2.921 429 1HH1 ARG 48 H ARG 48 6.386 9.775 5.954 430 2HH1 ARG 48 H ARG 48 7.516 10.668 6.946 431 1HH2 ARG 48 H ARG 48 9.629 11.573 4.266 432 2HH2 ARG 48 H ARG 48 9.438 11.546 6.003 433 H THR 49 H THR 49 3.294 7.624 4.136 434 HA THR 49 HA THR 49 3.293 9.900 5.994 435 HB THR 49 HB THR 49 0.981 10.269 4.989 436 HG1 THR 49 HG1 THR 49 1.318 8.889 2.792 437 1HG2 THR 49 HG23 THR 49 3.026 11.421 4.186 438 2HG2 THR 49 HG21 THR 49 3.353 10.065 3.083 439 3HG2 THR 49 HG22 THR 49 1.907 11.074 2.846 440 H MET 50 H MET 50 1.241 6.930 5.472 441 HA MET 50 HA MET 50 -0.263 7.388 7.867 442 1HB MET 50 HB2 MET 50 -1.196 5.199 7.525 443 2HB MET 50 HB1 MET 50 -1.028 5.985 5.944 444 1HG MET 50 HG2 MET 50 0.403 4.419 5.195 445 2HG MET 50 HG1 MET 50 1.362 4.437 6.673 446 1HE MET 50 HE2 MET 50 1.101 2.902 8.658 447 2HE MET 50 HE1 MET 50 -0.517 3.568 8.982 448 3HE MET 50 HE3 MET 50 -0.273 1.808 8.942 449 H LYS 51 H LYS 51 2.952 6.135 7.349 450 HA LYS 51 HA LYS 51 3.253 4.438 9.591 451 1HB LYS 51 H LYS 51 4.921 4.866 7.718 452 2HB LYS 51 H LYS 51 5.300 6.416 8.493 453 1HG LYS 51 H LYS 51 6.951 4.889 9.277 454 2HG LYS 51 H LYS 51 5.805 5.052 10.624 455 1HD LYS 51 H LYS 51 4.819 2.929 10.197 456 2HD LYS 51 H LYS 51 5.491 2.845 8.552 457 1HE LYS 51 H LYS 51 7.224 2.880 11.059 458 2HE LYS 51 H LYS 51 6.645 1.379 10.306 459 1HZ LYS 51 H LYS 51 8.270 3.418 8.944 460 2HZ LYS 51 H LYS 51 8.851 2.013 9.577 461 3HZ LYS 51 H LYS 51 7.795 1.967 8.311 462 H LYS 52 H LYS 52 3.565 7.999 9.245 463 HA LYS 52 HA LYS 52 3.981 8.364 12.124 464 1HB LYS 52 H LYS 52 5.155 9.842 10.606 465 2HB LYS 52 H LYS 52 3.649 10.268 9.762 466 1HG LYS 52 H LYS 52 3.655 10.740 12.714 467 2HG LYS 52 H LYS 52 4.752 11.771 11.769 468 1HD LYS 52 H LYS 52 3.031 12.804 10.608 469 2HD LYS 52 H LYS 52 1.963 11.389 10.719 470 1HE LYS 52 H LYS 52 1.745 11.842 13.202 471 2HE LYS 52 H LYS 52 2.630 13.362 12.938 472 1HZ LYS 52 H LYS 52 0.113 12.606 11.610 473 2HZ LYS 52 H LYS 52 0.240 13.638 12.894 474 3HZ LYS 52 H LYS 52 0.913 14.044 11.446 475 H LEU 53 H LEU 53 1.420 8.814 9.658 476 HA LEU 53 HA LEU 53 -0.844 8.955 9.839 477 1HB LEU 53 HB1 LEU 53 -0.393 7.101 11.605 478 2HB LEU 53 HB2 LEU 53 -0.663 8.375 12.812 479 HG LEU 53 HG LEU 53 -2.853 8.872 11.451 480 1HD1 LEU 53 HD12 LEU 53 -2.241 5.995 10.608 481 2HD1 LEU 53 HD13 LEU 53 -3.775 6.852 10.328 482 3HD1 LEU 53 HD11 LEU 53 -2.289 7.405 9.525 483 1HD2 LEU 53 HD22 LEU 53 -2.510 6.325 13.098 484 2HD2 LEU 53 HD21 LEU 53 -2.806 7.961 13.741 485 3HD2 LEU 53 HD23 LEU 53 -4.059 7.143 12.775 No H/Q in entry = 485 Start of MODEL 17 1 1H ARG 1 H3 ARG 1 -15.075 10.059 -4.061 2 2H ARG 1 H1 ARG 1 -16.688 10.226 -3.765 3 3H ARG 1 H2 ARG 1 -15.782 9.201 -2.845 4 HA ARG 1 HA ARG 1 -15.376 7.769 -4.686 5 1HB ARG 1 H ARG 1 -18.311 8.473 -4.250 6 2HB ARG 1 H ARG 1 -17.735 7.007 -5.078 7 1HG ARG 1 H ARG 1 -16.505 6.331 -3.028 8 2HG ARG 1 H ARG 1 -17.088 7.794 -2.198 9 1HD ARG 1 H ARG 1 -19.438 7.050 -2.595 10 2HD ARG 1 H ARG 1 -18.824 5.555 -3.328 11 HE ARG 1 H ARG 1 -18.899 6.253 -0.476 12 1HH1 ARG 1 H ARG 1 -17.376 4.214 -2.948 13 2HH1 ARG 1 H ARG 1 -17.005 2.916 -1.838 14 1HH2 ARG 1 H ARG 1 -18.424 4.525 0.972 15 2HH2 ARG 1 H ARG 1 -17.599 3.095 0.396 16 H LYS 2 H LYS 2 -14.450 8.393 -6.604 17 HA LYS 2 HA LYS 2 -16.205 9.051 -8.798 18 1HB LYS 2 H LYS 2 -15.192 11.231 -9.383 19 2HB LYS 2 H LYS 2 -16.055 11.305 -7.832 20 1HG LYS 2 H LYS 2 -13.759 10.841 -6.725 21 2HG LYS 2 H LYS 2 -13.050 11.212 -8.312 22 1HD LYS 2 H LYS 2 -14.893 13.060 -6.722 23 2HD LYS 2 H LYS 2 -13.123 13.210 -6.822 24 1HE LYS 2 H LYS 2 -13.337 13.424 -9.324 25 2HE LYS 2 H LYS 2 -15.104 13.430 -9.133 26 1HZ LYS 2 H LYS 2 -14.888 15.380 -7.773 27 2HZ LYS 2 H LYS 2 -13.249 15.381 -7.959 28 3HZ LYS 2 H LYS 2 -14.227 15.636 -9.262 29 H ARG 3 H ARG 3 -12.890 8.807 -7.473 30 HA ARG 3 HA ARG 3 -12.070 7.474 -10.011 31 1HB ARG 3 H ARG 3 -10.652 9.668 -8.459 32 2HB ARG 3 H ARG 3 -9.768 8.546 -9.521 33 1HG ARG 3 H ARG 3 -11.237 9.193 -11.419 34 2HG ARG 3 H ARG 3 -12.091 10.341 -10.362 35 1HD ARG 3 H ARG 3 -10.052 11.622 -10.010 36 2HD ARG 3 H ARG 3 -9.089 10.422 -10.893 37 HE ARG 3 H ARG 3 -10.773 12.527 -12.022 38 1HH1 ARG 3 H ARG 3 -9.324 9.342 -12.597 39 2HH1 ARG 3 H ARG 3 -9.244 9.543 -14.331 40 1HH2 ARG 3 H ARG 3 -10.666 12.778 -14.314 41 2HH2 ARG 3 H ARG 3 -10.035 11.488 -15.311 42 H GLN 4 H GLN 4 -10.440 5.853 -9.734 43 HA GLN 4 HA GLN 4 -10.664 4.466 -7.192 44 1HB GLN 4 HB1 GLN 4 -10.664 3.288 -9.375 45 2HB GLN 4 HB2 GLN 4 -9.013 3.868 -9.690 46 1HG GLN 4 HG2 GLN 4 -9.062 1.530 -8.814 47 2HG GLN 4 HG1 GLN 4 -8.164 2.630 -7.753 48 1HE2 GLN 4 HE21 GLN 4 -11.749 0.959 -6.520 49 2HE2 GLN 4 HE22 GLN 4 -11.305 0.976 -8.212 50 H ALA 5 H ALA 5 -9.715 6.064 -5.779 51 HA ALA 5 HA ALA 5 -6.870 6.699 -6.124 52 1HB ALA 5 HB1 ALA 5 -8.943 7.367 -3.993 53 2HB ALA 5 HB2 ALA 5 -7.245 7.898 -3.925 54 3HB ALA 5 HB3 ALA 5 -8.295 8.441 -5.255 55 H TRP 6 H TRP 6 -8.329 5.799 -3.009 56 HA TRP 6 HA TRP 6 -6.884 3.234 -2.902 57 1HB TRP 6 HB2 TRP 6 -6.123 5.730 -1.403 58 2HB TRP 6 HB1 TRP 6 -6.039 4.184 -0.551 59 HD1 TRP 6 HD1 TRP 6 -4.453 6.051 -3.475 60 HE1 TRP 6 HE1 TRP 6 -2.145 5.045 -4.017 61 HE3 TRP 6 HE3 TRP 6 -4.573 2.021 -0.321 62 HZ2 TRP 6 HZ2 TRP 6 -0.583 2.798 -3.199 63 HZ3 TRP 6 HZ3 TRP 6 -2.635 0.474 -0.223 64 HH2 TRP 6 HH2 TRP 6 -0.647 0.851 -1.660 65 H LEU 7 H LEU 7 -7.502 2.030 -0.893 66 HA LEU 7 HA LEU 7 -9.719 3.119 0.657 67 1HB LEU 7 HB2 LEU 7 -11.279 1.273 0.073 68 2HB LEU 7 HB1 LEU 7 -10.960 2.360 -1.293 69 HG LEU 7 HG LEU 7 -9.143 -0.010 -1.060 70 1HD1 LEU 7 HD12 LEU 7 -12.074 -0.242 -1.875 71 2HD1 LEU 7 HD13 LEU 7 -10.840 -1.505 -2.095 72 3HD1 LEU 7 HD11 LEU 7 -11.320 -1.006 -0.456 73 1HD2 LEU 7 HD23 LEU 7 -10.706 1.290 -3.340 74 2HD2 LEU 7 HD22 LEU 7 -8.997 1.584 -2.949 75 3HD2 LEU 7 HD21 LEU 7 -9.513 -0.014 -3.523 76 H TRP 8 H TRP 8 -10.498 1.482 2.272 77 HA TRP 8 HA TRP 8 -8.487 0.739 3.989 78 1HB TRP 8 HB2 TRP 8 -10.943 -0.982 3.864 79 2HB TRP 8 HB1 TRP 8 -10.131 -0.274 5.267 80 HD1 TRP 8 HD1 TRP 8 -10.855 2.129 6.001 81 HE1 TRP 8 HE1 TRP 8 -12.846 3.668 5.440 82 HE3 TRP 8 HE3 TRP 8 -12.585 -0.290 1.839 83 HZ2 TRP 8 HZ2 TRP 8 -14.894 3.819 3.451 84 HZ3 TRP 8 HZ3 TRP 8 -14.563 0.587 0.629 85 HH2 TRP 8 HH2 TRP 8 -15.721 2.635 1.428 86 H GLU 9 H GLU 9 -10.025 -1.357 1.495 87 HA GLU 9 HA GLU 9 -8.850 -3.793 2.203 88 1HB GLU 9 H GLU 9 -9.572 -2.654 -0.525 89 2HB GLU 9 H GLU 9 -9.143 -4.356 -0.239 90 1HG GLU 9 H GLU 9 -11.005 -4.583 1.354 91 2HG GLU 9 H GLU 9 -11.420 -2.869 1.148 92 H GLU 10 H GLU 10 -7.624 -1.487 -0.311 93 HA GLU 10 HA GLU 10 -5.203 -2.813 -0.809 94 1HB GLU 10 H GLU 10 -5.963 0.121 -0.977 95 2HB GLU 10 H GLU 10 -4.414 -0.528 -1.560 96 1HG GLU 10 H GLU 10 -5.736 -2.182 -2.959 97 2HG GLU 10 H GLU 10 -7.203 -1.281 -2.515 98 H ASP 11 H ASP 11 -5.910 -0.180 1.560 99 HA ASP 11 HA ASP 11 -3.273 0.095 2.554 100 1HB ASP 11 H ASP 11 -5.996 0.524 3.838 101 2HB ASP 11 H ASP 11 -4.469 0.989 4.610 102 H LYS 12 H LYS 12 -5.840 -2.265 3.341 103 HA LYS 12 HA LYS 12 -4.619 -3.248 5.741 104 1HB LYS 12 H LYS 12 -7.027 -3.535 5.057 105 2HB LYS 12 H LYS 12 -6.490 -4.712 3.838 106 1HG LYS 12 H LYS 12 -5.396 -6.036 5.686 107 2HG LYS 12 H LYS 12 -6.116 -4.902 6.856 108 1HD LYS 12 H LYS 12 -8.376 -5.473 6.033 109 2HD LYS 12 H LYS 12 -7.667 -6.567 4.822 110 1HE LYS 12 H LYS 12 -8.401 -7.908 6.703 111 2HE LYS 12 H LYS 12 -6.625 -7.883 6.703 112 1HZ LYS 12 H LYS 12 -8.351 -6.178 8.365 113 2HZ LYS 12 H LYS 12 -7.554 -7.525 8.883 114 3HZ LYS 12 H LYS 12 -6.703 -6.203 8.388 115 H ASN 13 H ASN 13 -4.736 -4.679 2.385 116 HA ASN 13 HA ASN 13 -2.863 -6.739 3.090 117 1HB ASN 13 HB2 ASN 13 -2.718 -7.153 0.658 118 2HB ASN 13 HB1 ASN 13 -4.386 -7.070 1.247 119 1HD2 ASN 13 HD21 ASN 13 -2.918 -4.167 -1.315 120 2HD2 ASN 13 HD22 ASN 13 -1.819 -5.170 -0.395 121 H LEU 14 H LEU 14 -2.482 -3.373 2.122 122 HA LEU 14 HA LEU 14 0.227 -3.496 1.236 123 1HB LEU 14 HB2 LEU 14 -1.209 -1.501 0.936 124 2HB LEU 14 HB1 LEU 14 -1.299 -1.290 2.691 125 HG LEU 14 HG LEU 14 1.271 -1.105 2.664 126 1HD1 LEU 14 HD13 LEU 14 0.692 -0.743 -0.309 127 2HD1 LEU 14 HD11 LEU 14 2.242 -0.386 0.487 128 3HD1 LEU 14 HD12 LEU 14 1.646 -2.059 0.416 129 1HD2 LEU 14 HD21 LEU 14 -0.403 0.977 1.194 130 2HD2 LEU 14 HD22 LEU 14 -0.214 0.838 2.959 131 3HD2 LEU 14 HD23 LEU 14 1.183 1.273 1.947 132 H ARG 15 H ARG 15 -1.263 -2.959 4.480 133 HA ARG 15 HA ARG 15 1.140 -2.649 5.929 134 1HB ARG 15 H ARG 15 -1.157 -2.163 6.771 135 2HB ARG 15 H ARG 15 -1.483 -3.908 6.842 136 1HG ARG 15 H ARG 15 0.250 -4.241 8.505 137 2HG ARG 15 H ARG 15 0.827 -2.571 8.311 138 1HD ARG 15 H ARG 15 -1.476 -1.789 9.061 139 2HD ARG 15 H ARG 15 -1.848 -3.482 9.444 140 HE ARG 15 H ARG 15 -0.488 -3.362 11.326 141 1HH1 ARG 15 H ARG 15 0.136 -0.577 9.220 142 2HH1 ARG 15 H ARG 15 1.013 0.318 10.439 143 1HH2 ARG 15 H ARG 15 0.682 -2.176 12.922 144 2HH2 ARG 15 H ARG 15 1.348 -0.606 12.540 145 H SER 16 H SER 16 -0.829 -5.606 5.334 146 HA SER 16 HA SER 16 0.808 -7.420 6.734 147 1HB SER 16 HB2 SER 16 -1.453 -7.953 5.927 148 2HB SER 16 HB1 SER 16 -0.899 -7.838 4.240 149 HG SER 16 HG SER 16 -0.837 -9.978 4.830 150 H GLY 17 H GLY 17 0.773 -6.760 3.179 151 1HA GLY 17 HA2 GLY 17 2.917 -8.430 2.503 152 2HA GLY 17 HA1 GLY 17 2.390 -7.008 1.584 153 H VAL 18 H VAL 18 3.051 -4.837 2.967 154 HA VAL 18 HA VAL 18 5.803 -4.584 2.524 155 HB VAL 18 HB VAL 18 3.918 -2.945 4.262 156 1HG1 VAL 18 HG11 VAL 18 6.781 -2.457 3.349 157 2HG1 VAL 18 HG13 VAL 18 5.694 -1.148 3.859 158 3HG1 VAL 18 HG12 VAL 18 6.146 -2.423 5.012 159 1HG2 VAL 18 HG21 VAL 18 3.441 -3.143 1.777 160 2HG2 VAL 18 HG22 VAL 18 3.814 -1.489 2.309 161 3HG2 VAL 18 HG23 VAL 18 5.049 -2.455 1.469 162 H ARG 19 H ARG 19 4.123 -5.082 5.701 163 HA ARG 19 HA ARG 19 6.619 -4.995 7.140 164 1HB ARG 19 H ARG 19 4.111 -4.602 7.916 165 2HB ARG 19 H ARG 19 4.161 -6.352 8.235 166 1HG ARG 19 H ARG 19 4.882 -5.367 10.277 167 2HG ARG 19 H ARG 19 6.394 -5.857 9.478 168 1HD ARG 19 H ARG 19 6.217 -3.402 8.434 169 2HD ARG 19 H ARG 19 5.235 -3.103 9.881 170 HE ARG 19 H ARG 19 7.384 -4.258 11.005 171 1HH1 ARG 19 H ARG 19 7.220 -1.817 8.436 172 2HH1 ARG 19 H ARG 19 8.701 -1.018 8.902 173 1HH2 ARG 19 H ARG 19 9.367 -3.228 11.589 174 2HH2 ARG 19 H ARG 19 9.943 -1.848 10.681 175 H LYS 20 H LYS 20 4.647 -7.648 5.751 176 HA LYS 20 HA LYS 20 6.067 -9.745 7.109 177 1HB LYS 20 H LYS 20 3.789 -9.967 6.121 178 2HB LYS 20 H LYS 20 4.502 -9.847 4.495 179 1HG LYS 20 H LYS 20 5.857 -11.864 4.925 180 2HG LYS 20 H LYS 20 5.215 -11.958 6.584 181 1HD LYS 20 H LYS 20 2.885 -12.103 5.563 182 2HD LYS 20 H LYS 20 3.667 -12.278 3.975 183 1HE LYS 20 H LYS 20 4.088 -14.103 6.387 184 2HE LYS 20 H LYS 20 3.101 -14.484 4.960 185 1HZ LYS 20 H LYS 20 5.093 -14.286 3.631 186 2HZ LYS 20 H LYS 20 5.998 -13.994 4.980 187 3HZ LYS 20 H LYS 20 5.255 -15.453 4.786 188 H TYR 21 H TYR 21 6.289 -8.477 3.719 189 HA TYR 21 HA TYR 21 8.552 -10.172 3.111 190 1HB TYR 21 HB2 TYR 21 7.343 -7.760 1.710 191 2HB TYR 21 HB1 TYR 21 8.659 -8.743 1.045 192 HD1 TYR 21 HD1 TYR 21 8.083 -11.440 1.252 193 HD2 TYR 21 HD2 TYR 21 5.231 -8.239 0.830 194 HE1 TYR 21 HE1 TYR 21 6.426 -13.036 0.320 195 HE2 TYR 21 HE2 TYR 21 3.578 -9.838 -0.102 196 HH TYR 21 HH TYR 21 4.328 -13.307 -0.557 197 H GLY 22 H GLY 22 8.200 -6.602 3.666 198 1HA GLY 22 HA2 GLY 22 10.223 -6.072 5.341 199 2HA GLY 22 HA1 GLY 22 11.133 -6.354 3.839 200 H GLU 23 H GLU 23 10.584 -3.871 5.541 201 HA GLU 23 HA GLU 23 8.945 -2.124 3.931 202 1HB GLU 23 H GLU 23 9.427 -1.848 6.387 203 2HB GLU 23 H GLU 23 11.100 -1.412 5.967 204 1HG GLU 23 H GLU 23 10.373 0.538 4.747 205 2HG GLU 23 H GLU 23 8.676 0.020 4.809 206 H GLY 24 H GLY 24 9.763 -2.517 1.809 207 1HA GLY 24 HA2 GLY 24 11.542 -0.637 0.779 208 2HA GLY 24 HA1 GLY 24 12.517 -2.093 1.096 209 H ASN 25 H ASN 25 10.237 -3.947 0.658 210 HA ASN 25 HA ASN 25 10.479 -4.203 -2.226 211 1HB ASN 25 HB2 ASN 25 8.769 -5.692 -0.187 212 2HB ASN 25 HB1 ASN 25 9.032 -6.187 -1.871 213 1HD2 ASN 25 HD21 ASN 25 12.466 -7.197 -1.352 214 2HD2 ASN 25 HD22 ASN 25 11.401 -6.463 -2.531 215 H TRP 26 H TRP 26 8.856 -3.904 -3.792 216 HA TRP 26 HA TRP 26 6.248 -2.818 -2.896 217 1HB TRP 26 HB2 TRP 26 8.027 -1.409 -4.918 218 2HB TRP 26 HB1 TRP 26 6.417 -0.902 -4.387 219 HD1 TRP 26 HD1 TRP 26 9.903 -0.181 -3.810 220 HE1 TRP 26 HE1 TRP 26 10.339 1.090 -1.613 221 HE3 TRP 26 HE3 TRP 26 5.373 -0.915 -1.545 222 HZ2 TRP 26 HZ2 TRP 26 8.916 1.696 0.786 223 HZ3 TRP 26 HZ3 TRP 26 4.951 0.036 0.706 224 HH2 TRP 26 HH2 TRP 26 6.712 1.339 1.873 225 H SER 27 H SER 27 8.237 -3.355 -5.877 226 HA SER 27 HA SER 27 6.054 -4.072 -7.538 227 1HB SER 27 HB2 SER 27 7.909 -5.184 -8.907 228 2HB SER 27 HB1 SER 27 8.141 -3.457 -8.535 229 HG SER 27 HG SER 27 10.016 -4.728 -8.116 230 H LYS 28 H LYS 28 8.350 -6.085 -5.636 231 HA LYS 28 HA LYS 28 7.352 -8.621 -6.331 232 1HB LYS 28 H LYS 28 9.446 -8.286 -5.110 233 2HB LYS 28 H LYS 28 8.566 -7.602 -3.724 234 1HG LYS 28 H LYS 28 7.494 -9.717 -3.259 235 2HG LYS 28 H LYS 28 8.083 -10.418 -4.785 236 1HD LYS 28 H LYS 28 10.377 -10.362 -4.010 237 2HD LYS 28 H LYS 28 9.931 -9.391 -2.586 238 1HE LYS 28 H LYS 28 10.262 -11.761 -1.970 239 2HE LYS 28 H LYS 28 8.575 -11.265 -1.715 240 1HZ LYS 28 H LYS 28 9.516 -12.644 -4.129 241 2HZ LYS 28 H LYS 28 8.877 -13.421 -2.823 242 3HZ LYS 28 H LYS 28 7.950 -12.356 -3.681 243 H ILE 29 H ILE 29 6.319 -6.342 -3.744 244 HA ILE 29 HA ILE 29 4.374 -8.066 -2.578 245 HB ILE 29 HB ILE 29 4.312 -5.021 -2.687 246 1HG1 ILE 29 HG11 ILE 29 5.914 -6.945 -0.947 247 2HG1 ILE 29 HG12 ILE 29 6.536 -5.631 -1.966 248 1HG2 ILE 29 HG22 ILE 29 2.308 -6.314 -1.786 249 2HG2 ILE 29 HG21 ILE 29 3.383 -6.961 -0.528 250 3HG2 ILE 29 HG23 ILE 29 3.066 -5.212 -0.621 251 1HD1 ILE 29 HD13 ILE 29 5.255 -4.002 -0.516 252 2HD1 ILE 29 HD11 ILE 29 4.883 -5.361 0.571 253 3HD1 ILE 29 HD12 ILE 29 6.568 -4.862 0.323 254 H LEU 30 H LEU 30 4.210 -5.619 -5.204 255 HA LEU 30 HA LEU 30 1.421 -5.702 -5.647 256 1HB LEU 30 HB1 LEU 30 3.625 -4.406 -6.745 257 2HB LEU 30 HB2 LEU 30 3.075 -5.438 -8.081 258 HG LEU 30 HG LEU 30 1.258 -3.571 -6.482 259 1HD1 LEU 30 HD13 LEU 30 2.564 -3.218 -9.217 260 2HD1 LEU 30 HD11 LEU 30 1.338 -2.135 -8.516 261 3HD1 LEU 30 HD12 LEU 30 2.934 -2.285 -7.746 262 1HD2 LEU 30 HD23 LEU 30 0.889 -5.214 -9.027 263 2HD2 LEU 30 HD21 LEU 30 0.001 -5.382 -7.496 264 3HD2 LEU 30 HD22 LEU 30 -0.237 -3.939 -8.503 265 H LEU 31 H LEU 31 4.041 -7.889 -6.665 266 HA LEU 31 HA LEU 31 2.518 -9.351 -8.601 267 1HB LEU 31 HB2 LEU 31 5.088 -9.270 -8.191 268 2HB LEU 31 HB1 LEU 31 4.781 -10.479 -6.925 269 HG LEU 31 HG LEU 31 3.462 -11.763 -8.794 270 1HD1 LEU 31 HD12 LEU 31 5.267 -9.939 -10.453 271 2HD1 LEU 31 HD11 LEU 31 4.370 -11.345 -11.074 272 3HD1 LEU 31 HD13 LEU 31 3.488 -9.930 -10.459 273 1HD2 LEU 31 HD21 LEU 31 6.499 -11.481 -8.867 274 2HD2 LEU 31 HD23 LEU 31 5.570 -12.543 -7.782 275 3HD2 LEU 31 HD22 LEU 31 5.573 -12.848 -9.535 276 H HIS 32 H HIS 32 3.077 -9.739 -5.076 277 HA HIS 32 HA HIS 32 1.559 -12.233 -4.982 278 1HB HIS 32 HB2 HIS 32 2.662 -10.441 -2.783 279 2HB HIS 32 HB1 HIS 32 1.995 -12.069 -2.555 280 HD1 HIS 32 HD1 HIS 32 3.316 -13.876 -4.439 281 HD2 HIS 32 HD2 HIS 32 5.384 -10.604 -2.852 282 HE1 HIS 32 HE1 HIS 32 5.805 -14.353 -4.667 283 H TYR 33 H TYR 33 1.124 -9.129 -3.165 284 HA TYR 33 HA TYR 33 -1.727 -9.718 -2.858 285 1HB TYR 33 HB2 TYR 33 0.128 -7.508 -1.935 286 2HB TYR 33 HB1 TYR 33 -1.625 -7.418 -1.701 287 HD1 TYR 33 HD1 TYR 33 -2.776 -9.357 -0.444 288 HD2 TYR 33 HD2 TYR 33 1.480 -8.691 -0.389 289 HE1 TYR 33 HE1 TYR 33 -2.590 -10.708 1.632 290 HE2 TYR 33 HE2 TYR 33 1.661 -10.052 1.683 291 HH TYR 33 HH TYR 33 0.536 -11.222 3.296 292 H LYS 34 H LYS 34 -3.430 -8.589 -3.775 293 HA LYS 34 HA LYS 34 -2.820 -7.321 -6.338 294 1HB LYS 34 H LYS 34 -4.611 -9.007 -6.145 295 2HB LYS 34 H LYS 34 -5.439 -8.006 -4.932 296 1HG LYS 34 H LYS 34 -6.505 -7.696 -7.112 297 2HG LYS 34 H LYS 34 -5.690 -6.189 -6.643 298 1HD LYS 34 H LYS 34 -3.813 -6.682 -8.121 299 2HD LYS 34 H LYS 34 -4.456 -8.304 -8.469 300 1HE LYS 34 H LYS 34 -6.401 -7.346 -9.581 301 2HE LYS 34 H LYS 34 -5.923 -5.704 -9.096 302 1HZ LYS 34 H LYS 34 -4.399 -7.468 -10.885 303 2HZ LYS 34 H LYS 34 -5.319 -6.182 -11.354 304 3HZ LYS 34 H LYS 34 -3.968 -5.939 -10.439 305 H PHE 35 H PHE 35 -3.182 -5.207 -6.887 306 HA PHE 35 HA PHE 35 -4.292 -3.360 -4.833 307 1HB PHE 35 HB2 PHE 35 -1.743 -3.011 -6.459 308 2HB PHE 35 HB1 PHE 35 -2.533 -1.723 -5.542 309 HD1 PHE 35 HD2 PHE 35 -0.683 -4.920 -5.262 310 HD2 PHE 35 HD1 PHE 35 -2.317 -1.541 -3.159 311 HE1 PHE 35 HE2 PHE 35 0.607 -5.557 -3.242 312 HE2 PHE 35 HE1 PHE 35 -1.026 -2.179 -1.139 313 HZ PHE 35 HZ PHE 35 0.440 -4.185 -1.176 314 H ASN 36 H ASN 36 -4.641 -1.111 -6.006 315 HA ASN 36 HA ASN 36 -5.869 -1.709 -8.672 316 1HB ASN 36 HB2 ASN 36 -6.622 0.347 -6.558 317 2HB ASN 36 HB1 ASN 36 -7.405 0.159 -8.138 318 1HD2 ASN 36 HD21 ASN 36 -8.815 -1.949 -5.081 319 2HD2 ASN 36 HD22 ASN 36 -7.876 -0.467 -4.973 320 H ASN 37 H ASN 37 -4.675 -0.927 -10.291 321 HA ASN 37 HA ASN 37 -3.094 0.313 -11.408 322 1HB ASN 37 HB1 ASN 37 -3.785 2.713 -11.650 323 2HB ASN 37 HB2 ASN 37 -5.092 1.543 -11.902 324 1HD2 ASN 37 HD21 ASN 37 -5.211 4.182 -8.725 325 2HD2 ASN 37 HD22 ASN 37 -3.701 3.865 -9.560 326 H ARG 38 H ARG 38 -1.979 -0.440 -8.985 327 HA ARG 38 HA ARG 38 -0.709 1.931 -7.790 328 1HB ARG 38 H ARG 38 -1.149 -0.856 -7.087 329 2HB ARG 38 H ARG 38 0.573 -0.465 -6.958 330 1HG ARG 38 H ARG 38 -0.401 0.035 -4.824 331 2HG ARG 38 H ARG 38 -0.090 1.596 -5.611 332 1HD ARG 38 H ARG 38 -2.765 0.341 -6.104 333 2HD ARG 38 H ARG 38 -2.463 0.949 -4.466 334 HE ARG 38 H ARG 38 -1.701 2.912 -6.415 335 1HH1 ARG 38 H ARG 38 -4.520 1.379 -4.911 336 2HH1 ARG 38 H ARG 38 -5.523 2.817 -5.034 337 1HH2 ARG 38 H ARG 38 -3.126 4.694 -6.815 338 2HH2 ARG 38 H ARG 38 -4.745 4.679 -6.142 339 H THR 39 H THR 39 1.732 1.949 -7.609 340 HA THR 39 HA THR 39 3.089 0.703 -9.931 341 HB THR 39 HB THR 39 3.220 3.684 -9.276 342 HG1 THR 39 HG1 THR 39 2.178 3.839 -11.310 343 1HG2 THR 39 HG22 THR 39 4.469 1.997 -11.494 344 2HG2 THR 39 HG21 THR 39 4.535 3.773 -11.393 345 3HG2 THR 39 HG23 THR 39 5.345 2.783 -10.159 346 H SER 40 H SER 40 4.291 3.316 -7.792 347 HA SER 40 HA SER 40 5.741 1.391 -6.101 348 1HB SER 40 HB1 SER 40 7.151 3.385 -7.932 349 2HB SER 40 HB2 SER 40 7.935 2.462 -6.628 350 HG SER 40 HG SER 40 8.130 1.447 -8.678 351 H VAL 41 H VAL 41 5.884 4.872 -7.064 352 HA VAL 41 HA VAL 41 6.421 5.898 -4.503 353 HB VAL 41 HB VAL 41 4.927 7.143 -6.855 354 1HG1 VAL 41 HG12 VAL 41 6.175 8.373 -4.358 355 2HG1 VAL 41 HG13 VAL 41 5.700 9.306 -5.796 356 3HG1 VAL 41 HG11 VAL 41 4.467 8.442 -4.851 357 1HG2 VAL 41 HG22 VAL 41 7.852 7.231 -5.983 358 2HG2 VAL 41 HG21 VAL 41 7.210 6.388 -7.412 359 3HG2 VAL 41 HG23 VAL 41 7.152 8.162 -7.327 360 H MET 42 H MET 42 3.318 5.125 -6.095 361 HA MET 42 HA MET 42 1.534 6.313 -4.289 362 1HB MET 42 HB1 MET 42 1.424 3.851 -6.057 363 2HB MET 42 HB2 MET 42 0.063 4.259 -4.991 364 1HG MET 42 HG1 MET 42 -0.424 5.259 -7.093 365 2HG MET 42 HG2 MET 42 0.062 6.574 -6.016 366 1HE MET 42 HE3 MET 42 2.386 7.778 -6.091 367 2HE MET 42 HE2 MET 42 2.807 8.329 -7.728 368 3HE MET 42 HE1 MET 42 1.135 8.481 -7.140 369 H LEU 43 H LEU 43 3.292 3.196 -4.083 370 HA LEU 43 HA LEU 43 1.902 2.389 -1.653 371 1HB LEU 43 HB2 LEU 43 4.398 1.285 -3.017 372 2HB LEU 43 HB1 LEU 43 3.515 0.516 -1.683 373 HG LEU 43 HG LEU 43 1.473 0.982 -3.489 374 1HD1 LEU 43 HD13 LEU 43 3.998 0.250 -5.044 375 2HD1 LEU 43 HD12 LEU 43 2.343 0.140 -5.682 376 3HD1 LEU 43 HD11 LEU 43 3.023 1.722 -5.252 377 1HD2 LEU 43 HD21 LEU 43 3.293 -1.461 -3.305 378 2HD2 LEU 43 HD23 LEU 43 1.911 -1.108 -2.241 379 3HD2 LEU 43 HD22 LEU 43 1.640 -1.448 -3.965 380 H LYS 44 H LYS 44 5.116 3.769 -2.521 381 HA LYS 44 HA LYS 44 6.318 3.575 0.030 382 1HB LYS 44 H LYS 44 6.675 5.731 -2.098 383 2HB LYS 44 H LYS 44 7.776 5.416 -0.741 384 1HG LYS 44 H LYS 44 7.498 2.901 -1.885 385 2HG LYS 44 H LYS 44 7.474 3.967 -3.299 386 1HD LYS 44 H LYS 44 9.597 3.982 -1.103 387 2HD LYS 44 H LYS 44 9.791 3.258 -2.716 388 1HE LYS 44 H LYS 44 9.204 6.211 -2.189 389 2HE LYS 44 H LYS 44 10.809 5.540 -2.542 390 1HZ LYS 44 H LYS 44 9.940 4.773 -4.642 391 2HZ LYS 44 H LYS 44 8.473 5.453 -4.316 392 3HZ LYS 44 H LYS 44 9.802 6.410 -4.497 393 H ASP 45 H ASP 45 4.630 6.416 -1.431 394 HA ASP 45 HA ASP 45 4.764 8.080 0.838 395 1HB ASP 45 H ASP 45 2.671 7.921 -1.374 396 2HB ASP 45 H ASP 45 2.853 9.277 -0.243 397 H ARG 46 H ARG 46 2.244 5.721 -0.167 398 HA ARG 46 HA ARG 46 0.371 6.308 1.862 399 1HB ARG 46 H ARG 46 0.962 4.005 0.043 400 2HB ARG 46 H ARG 46 -0.088 3.686 1.441 401 1HG ARG 46 H ARG 46 -0.632 6.177 -0.141 402 2HG ARG 46 H ARG 46 -1.057 4.625 -0.888 403 1HD ARG 46 H ARG 46 -2.538 4.037 0.862 404 2HD ARG 46 H ARG 46 -1.856 5.252 1.964 405 HE ARG 46 H ARG 46 -2.879 6.679 -0.214 406 1HH1 ARG 46 H ARG 46 -4.197 4.288 2.041 407 2HH1 ARG 46 H ARG 46 -5.737 5.107 2.216 408 1HH2 ARG 46 H ARG 46 -4.879 7.807 0.095 409 2HH2 ARG 46 H ARG 46 -6.137 7.096 1.082 410 H TRP 47 H TRP 47 2.831 3.632 1.808 411 HA TRP 47 HA TRP 47 2.282 2.788 4.452 412 1HB TRP 47 HB2 TRP 47 3.549 1.471 2.803 413 2HB TRP 47 HB1 TRP 47 4.877 2.640 2.878 414 HD1 TRP 47 HD1 TRP 47 6.772 1.787 4.296 415 HE1 TRP 47 HE1 TRP 47 7.096 0.359 6.420 416 HE3 TRP 47 HE3 TRP 47 1.868 0.713 5.290 417 HZ2 TRP 47 HZ2 TRP 47 5.437 -1.032 8.282 418 HZ3 TRP 47 HZ3 TRP 47 1.285 -0.661 7.262 419 HH2 TRP 47 HH2 TRP 47 3.057 -1.541 8.759 420 H ARG 48 H ARG 48 4.722 5.115 3.207 421 HA ARG 48 HA ARG 48 6.127 5.655 5.535 422 1HB ARG 48 H ARG 48 6.854 6.594 3.463 423 2HB ARG 48 H ARG 48 5.294 7.395 3.189 424 1HG ARG 48 H ARG 48 6.988 9.034 3.888 425 2HG ARG 48 H ARG 48 5.718 8.900 5.119 426 1HD ARG 48 H ARG 48 7.181 7.367 6.435 427 2HD ARG 48 H ARG 48 8.436 7.510 5.190 428 HE ARG 48 H ARG 48 9.030 9.574 6.047 429 1HH1 ARG 48 H ARG 48 5.837 8.642 7.308 430 2HH1 ARG 48 H ARG 48 5.749 9.985 8.427 431 1HH2 ARG 48 H ARG 48 8.888 11.336 7.528 432 2HH2 ARG 48 H ARG 48 7.484 11.515 8.554 433 H THR 49 H THR 49 2.992 7.071 4.475 434 HA THR 49 HA THR 49 2.875 8.789 6.841 435 HB THR 49 HB THR 49 0.731 8.230 4.750 436 HG1 THR 49 HG1 THR 49 2.517 8.915 3.653 437 1HG2 THR 49 HG22 THR 49 1.305 10.589 6.601 438 2HG2 THR 49 HG21 THR 49 0.025 10.542 5.364 439 3HG2 THR 49 HG23 THR 49 -0.042 9.436 6.756 440 H MET 50 H MET 50 0.929 6.043 5.542 441 HA MET 50 HA MET 50 -0.948 5.916 7.607 442 1HB MET 50 HB1 MET 50 -0.856 4.734 5.311 443 2HB MET 50 HB2 MET 50 0.107 3.486 6.133 444 1HG MET 50 HG1 MET 50 -1.902 3.661 7.908 445 2HG MET 50 HG2 MET 50 -2.777 4.250 6.488 446 1HE MET 50 HE1 MET 50 -1.246 1.311 8.395 447 2HE MET 50 HE2 MET 50 -1.041 0.037 7.173 448 3HE MET 50 HE3 MET 50 -0.007 1.481 7.130 449 H LYS 51 H LYS 51 2.324 4.375 7.456 450 HA LYS 51 HA LYS 51 1.824 2.710 9.751 451 1HB LYS 51 H LYS 51 4.001 1.937 9.478 452 2HB LYS 51 H LYS 51 3.554 2.432 7.833 453 1HG LYS 51 H LYS 51 4.695 4.646 8.252 454 2HG LYS 51 H LYS 51 5.234 4.019 9.829 455 1HD LYS 51 H LYS 51 6.164 2.000 8.446 456 2HD LYS 51 H LYS 51 6.022 3.096 7.052 457 1HE LYS 51 H LYS 51 7.517 3.760 9.626 458 2HE LYS 51 H LYS 51 8.288 3.126 8.157 459 1HZ LYS 51 H LYS 51 6.749 5.621 8.302 460 2HZ LYS 51 H LYS 51 8.396 5.517 8.317 461 3HZ LYS 51 H LYS 51 7.552 5.037 6.984 462 H LYS 52 H LYS 52 2.051 6.058 9.705 463 HA LYS 52 HA LYS 52 3.812 6.405 11.984 464 1HB LYS 52 H LYS 52 3.629 8.307 10.594 465 2HB LYS 52 H LYS 52 1.865 8.161 10.470 466 1HG LYS 52 H LYS 52 2.499 10.060 11.916 467 2HG LYS 52 H LYS 52 1.601 8.830 12.819 468 1HD LYS 52 H LYS 52 4.010 7.903 13.417 469 2HD LYS 52 H LYS 52 4.548 9.523 12.936 470 1HE LYS 52 H LYS 52 4.142 9.507 15.336 471 2HE LYS 52 H LYS 52 2.889 10.496 14.556 472 1HZ LYS 52 H LYS 52 2.473 7.656 15.180 473 2HZ LYS 52 H LYS 52 2.143 8.853 16.269 474 3HZ LYS 52 H LYS 52 1.336 8.804 14.831 475 H LEU 53 H LEU 53 0.225 6.434 11.516 476 HA LEU 53 HA LEU 53 -1.504 6.318 13.020 477 1HB LEU 53 HB2 LEU 53 0.501 4.409 14.293 478 2HB LEU 53 HB1 LEU 53 -1.141 4.645 14.929 479 HG LEU 53 HG LEU 53 -1.618 4.271 12.219 480 1HD1 LEU 53 HD11 LEU 53 0.767 3.649 11.885 481 2HD1 LEU 53 HD13 LEU 53 0.590 2.352 13.085 482 3HD1 LEU 53 HD12 LEU 53 -0.324 2.287 11.559 483 1HD2 LEU 53 HD23 LEU 53 -1.499 2.184 14.443 484 2HD2 LEU 53 HD22 LEU 53 -2.869 3.266 14.093 485 3HD2 LEU 53 HD21 LEU 53 -2.400 2.017 12.917 No H/Q in entry = 485 Start of MODEL 18 1 1H ARG 1 H3 ARG 1 -3.531 13.405 -8.329 2 2H ARG 1 H1 ARG 1 -4.834 14.417 -8.329 3 3H ARG 1 H2 ARG 1 -3.336 15.001 -8.695 4 HA ARG 1 HA ARG 1 -2.547 14.548 -6.499 5 1HB ARG 1 H ARG 1 -4.983 16.300 -6.891 6 2HB ARG 1 H ARG 1 -4.225 16.159 -5.288 7 1HG ARG 1 H ARG 1 -2.501 16.736 -7.708 8 2HG ARG 1 H ARG 1 -3.433 18.050 -6.956 9 1HD ARG 1 H ARG 1 -2.387 17.555 -4.766 10 2HD ARG 1 H ARG 1 -1.476 16.219 -5.495 11 HE ARG 1 H ARG 1 0.016 17.731 -6.421 12 1HH1 ARG 1 H ARG 1 -2.890 19.448 -5.327 13 2HH1 ARG 1 H ARG 1 -2.178 21.035 -5.498 14 1HH2 ARG 1 H ARG 1 0.946 19.830 -6.634 15 2HH2 ARG 1 H ARG 1 0.001 21.253 -6.262 16 H LYS 2 H LYS 2 -6.095 14.676 -6.011 17 HA LYS 2 HA LYS 2 -7.487 13.445 -4.694 18 1HB LYS 2 H LYS 2 -5.696 11.292 -5.851 19 2HB LYS 2 H LYS 2 -6.978 10.884 -4.693 20 1HG LYS 2 H LYS 2 -7.579 12.624 -7.105 21 2HG LYS 2 H LYS 2 -7.536 10.854 -7.259 22 1HD LYS 2 H LYS 2 -9.162 12.167 -5.058 23 2HD LYS 2 H LYS 2 -9.823 12.013 -6.701 24 1HE LYS 2 H LYS 2 -9.905 9.692 -6.605 25 2HE LYS 2 H LYS 2 -8.576 9.583 -5.435 26 1HZ LYS 2 H LYS 2 -11.262 10.593 -4.813 27 2HZ LYS 2 H LYS 2 -10.733 9.065 -4.491 28 3HZ LYS 2 H LYS 2 -10.027 10.354 -3.741 29 H ARG 3 H ARG 3 -7.056 14.422 -2.728 30 HA ARG 3 HA ARG 3 -4.846 14.058 -1.066 31 1HB ARG 3 H ARG 3 -7.777 14.550 -0.397 32 2HB ARG 3 H ARG 3 -6.457 14.662 0.790 33 1HG ARG 3 H ARG 3 -5.332 16.354 -0.699 34 2HG ARG 3 H ARG 3 -6.763 16.316 -1.757 35 1HD ARG 3 H ARG 3 -8.191 17.025 0.127 36 2HD ARG 3 H ARG 3 -6.780 17.022 1.210 37 HE ARG 3 H ARG 3 -6.281 18.703 -1.062 38 1HH1 ARG 3 H ARG 3 -8.168 18.548 1.931 39 2HH1 ARG 3 H ARG 3 -8.192 20.279 2.167 40 1HH2 ARG 3 H ARG 3 -6.320 20.991 -0.747 41 2HH2 ARG 3 H ARG 3 -7.147 21.673 0.634 42 H GLN 4 H GLN 4 -7.799 12.017 -1.356 43 HA GLN 4 HA GLN 4 -6.329 9.807 -0.114 44 1HB GLN 4 HB1 GLN 4 -8.113 9.407 1.585 45 2HB GLN 4 HB2 GLN 4 -7.220 10.918 1.865 46 1HG GLN 4 HG2 GLN 4 -9.034 12.212 0.805 47 2HG GLN 4 HG1 GLN 4 -9.916 10.712 0.448 48 1HE2 GLN 4 HE22 GLN 4 -9.637 12.007 4.394 49 2HE2 GLN 4 HE21 GLN 4 -8.363 12.382 3.255 50 H ALA 5 H ALA 5 -7.439 7.769 -0.310 51 HA ALA 5 HA ALA 5 -9.908 7.439 -1.707 52 1HB ALA 5 HB3 ALA 5 -8.553 8.304 -3.616 53 2HB ALA 5 HB1 ALA 5 -7.374 7.004 -3.357 54 3HB ALA 5 HB2 ALA 5 -9.038 6.615 -3.861 55 H TRP 6 H TRP 6 -8.138 5.063 -3.062 56 HA TRP 6 HA TRP 6 -7.642 2.898 -2.573 57 1HB TRP 6 HB2 TRP 6 -6.975 4.115 0.130 58 2HB TRP 6 HB1 TRP 6 -6.666 2.433 -0.287 59 HD1 TRP 6 HD1 TRP 6 -5.835 5.756 -2.103 60 HE1 TRP 6 HE1 TRP 6 -3.353 5.746 -2.783 61 HE3 TRP 6 HE3 TRP 6 -4.515 1.195 -0.209 62 HZ2 TRP 6 HZ2 TRP 6 -1.105 4.001 -2.511 63 HZ3 TRP 6 HZ3 TRP 6 -2.182 0.394 -0.441 64 HH2 TRP 6 HH2 TRP 6 -0.481 1.798 -1.570 65 H LEU 7 H LEU 7 -8.107 1.052 -0.846 66 HA LEU 7 HA LEU 7 -10.945 1.343 0.054 67 1HB LEU 7 HB1 LEU 7 -9.521 -1.103 -1.083 68 2HB LEU 7 HB2 LEU 7 -11.185 -1.077 -0.464 69 HG LEU 7 HG LEU 7 -10.218 0.694 -2.757 70 1HD1 LEU 7 HD13 LEU 7 -11.690 -1.977 -2.841 71 2HD1 LEU 7 HD11 LEU 7 -11.360 -0.928 -4.241 72 3HD1 LEU 7 HD12 LEU 7 -10.013 -1.695 -3.366 73 1HD2 LEU 7 HD21 LEU 7 -12.965 -0.066 -1.663 74 2HD2 LEU 7 HD23 LEU 7 -12.223 1.551 -1.667 75 3HD2 LEU 7 HD22 LEU 7 -12.708 0.794 -3.199 76 H TRP 8 H TRP 8 -11.510 0.008 1.912 77 HA TRP 8 HA TRP 8 -9.686 0.252 4.052 78 1HB TRP 8 HB2 TRP 8 -11.305 -1.138 5.284 79 2HB TRP 8 HB1 TRP 8 -12.096 0.143 4.357 80 HD1 TRP 8 HD1 TRP 8 -13.508 -0.604 2.214 81 HE1 TRP 8 HE1 TRP 8 -14.704 -2.795 1.580 82 HE3 TRP 8 HE3 TRP 8 -11.180 -3.767 5.497 83 HZ2 TRP 8 HZ2 TRP 8 -14.650 -5.532 2.389 84 HZ3 TRP 8 HZ3 TRP 8 -11.790 -6.173 5.534 85 HH2 TRP 8 HH2 TRP 8 -13.516 -7.059 3.987 86 H GLU 9 H GLU 9 -10.492 -2.551 1.951 87 HA GLU 9 HA GLU 9 -8.806 -4.376 3.401 88 1HB GLU 9 H GLU 9 -9.222 -5.892 1.502 89 2HB GLU 9 H GLU 9 -10.720 -5.151 2.094 90 1HG GLU 9 H GLU 9 -11.035 -4.820 -0.163 91 2HG GLU 9 H GLU 9 -10.149 -3.332 0.201 92 H GLU 10 H GLU 10 -8.343 -2.238 0.563 93 HA GLU 10 HA GLU 10 -5.844 -3.278 -0.282 94 1HB GLU 10 H GLU 10 -7.365 -1.616 -1.485 95 2HB GLU 10 H GLU 10 -6.703 -0.365 -0.408 96 1HG GLU 10 H GLU 10 -4.404 -0.977 -1.178 97 2HG GLU 10 H GLU 10 -5.118 -2.152 -2.302 98 H ASP 11 H ASP 11 -6.676 -0.680 2.073 99 HA ASP 11 HA ASP 11 -4.030 0.086 2.719 100 1HB ASP 11 H ASP 11 -6.069 1.329 3.371 101 2HB ASP 11 H ASP 11 -6.517 0.015 4.478 102 H LYS 12 H LYS 12 -6.173 -2.436 4.149 103 HA LYS 12 HA LYS 12 -4.389 -3.302 6.175 104 1HB LYS 12 H LYS 12 -6.856 -3.866 5.877 105 2HB LYS 12 H LYS 12 -6.355 -5.038 4.634 106 1HG LYS 12 H LYS 12 -4.726 -5.946 6.463 107 2HG LYS 12 H LYS 12 -5.736 -5.038 7.609 108 1HD LYS 12 H LYS 12 -6.781 -7.123 5.631 109 2HD LYS 12 H LYS 12 -6.430 -7.438 7.344 110 1HE LYS 12 H LYS 12 -8.689 -6.969 7.496 111 2HE LYS 12 H LYS 12 -8.030 -5.335 7.719 112 1HZ LYS 12 H LYS 12 -8.981 -6.461 5.175 113 2HZ LYS 12 H LYS 12 -9.807 -5.393 6.122 114 3HZ LYS 12 H LYS 12 -8.400 -4.935 5.398 115 H ASN 13 H ASN 13 -4.811 -4.357 2.756 116 HA ASN 13 HA ASN 13 -2.933 -6.484 2.797 117 1HB ASN 13 HB2 ASN 13 -3.802 -4.617 0.551 118 2HB ASN 13 HB1 ASN 13 -2.852 -6.092 0.316 119 1HD2 ASN 13 HD22 ASN 13 -6.642 -6.634 -0.105 120 2HD2 ASN 13 HD21 ASN 13 -5.530 -5.441 -0.742 121 H LEU 14 H LEU 14 -2.535 -2.958 2.234 122 HA LEU 14 HA LEU 14 0.198 -3.072 1.430 123 1HB LEU 14 HB2 LEU 14 -1.193 -1.101 1.043 124 2HB LEU 14 HB1 LEU 14 -1.428 -0.879 2.787 125 HG LEU 14 HG LEU 14 1.030 -0.517 3.062 126 1HD1 LEU 14 HD13 LEU 14 0.967 -0.902 0.049 127 2HD1 LEU 14 HD12 LEU 14 2.289 -0.039 0.868 128 3HD1 LEU 14 HD11 LEU 14 1.976 -1.748 1.240 129 1HD2 LEU 14 HD22 LEU 14 -0.528 1.392 2.686 130 2HD2 LEU 14 HD23 LEU 14 1.094 1.707 2.026 131 3HD2 LEU 14 HD21 LEU 14 -0.237 1.258 0.936 132 H ARG 15 H ARG 15 -1.298 -2.353 4.647 133 HA ARG 15 HA ARG 15 1.127 -2.074 6.065 134 1HB ARG 15 H ARG 15 -1.643 -2.970 6.930 135 2HB ARG 15 H ARG 15 -0.322 -2.660 8.074 136 1HG ARG 15 H ARG 15 -0.376 -0.376 7.735 137 2HG ARG 15 H ARG 15 -0.876 -0.528 6.036 138 1HD ARG 15 H ARG 15 -2.700 0.420 7.350 139 2HD ARG 15 H ARG 15 -3.150 -1.204 6.788 140 HE ARG 15 H ARG 15 -1.985 -1.496 9.340 141 1HH1 ARG 15 H ARG 15 -4.822 0.001 7.825 142 2HH1 ARG 15 H ARG 15 -5.831 -0.167 9.250 143 1HH2 ARG 15 H ARG 15 -3.314 -1.677 11.223 144 2HH2 ARG 15 H ARG 15 -4.967 -1.109 11.188 145 H SER 16 H SER 16 -0.995 -4.977 5.761 146 HA SER 16 HA SER 16 0.666 -6.721 7.249 147 1HB SER 16 HB2 SER 16 -1.202 -7.384 4.933 148 2HB SER 16 HB1 SER 16 -0.649 -8.499 6.206 149 HG SER 16 HG SER 16 -2.333 -6.233 6.437 150 H GLY 17 H GLY 17 0.562 -5.973 3.737 151 1HA GLY 17 HA2 GLY 17 2.401 -7.929 2.873 152 2HA GLY 17 HA1 GLY 17 2.050 -6.394 2.051 153 H VAL 18 H VAL 18 3.038 -4.401 3.387 154 HA VAL 18 HA VAL 18 5.833 -4.572 3.088 155 HB VAL 18 HB VAL 18 4.088 -2.638 4.670 156 1HG1 VAL 18 HG11 VAL 18 7.057 -2.636 4.029 157 2HG1 VAL 18 HG12 VAL 18 6.165 -1.133 4.339 158 3HG1 VAL 18 HG13 VAL 18 6.269 -2.379 5.602 159 1HG2 VAL 18 HG21 VAL 18 3.754 -2.795 2.177 160 2HG2 VAL 18 HG23 VAL 18 4.369 -1.213 2.705 161 3HG2 VAL 18 HG22 VAL 18 5.472 -2.395 1.961 162 H ARG 19 H ARG 19 3.789 -4.987 6.010 163 HA ARG 19 HA ARG 19 5.877 -5.038 7.921 164 1HB ARG 19 H ARG 19 3.525 -4.830 8.517 165 2HB ARG 19 H ARG 19 3.172 -6.433 7.846 166 1HG ARG 19 H ARG 19 5.351 -6.389 9.876 167 2HG ARG 19 H ARG 19 3.752 -5.926 10.496 168 1HD ARG 19 H ARG 19 4.402 -8.483 8.964 169 2HD ARG 19 H ARG 19 4.099 -8.366 10.705 170 HE ARG 19 H ARG 19 2.126 -8.388 8.559 171 1HH1 ARG 19 H ARG 19 2.791 -7.351 11.885 172 2HH1 ARG 19 H ARG 19 1.108 -7.310 12.350 173 1HH2 ARG 19 H ARG 19 -0.096 -8.269 9.167 174 2HH2 ARG 19 H ARG 19 -0.538 -7.830 10.800 175 H LYS 20 H LYS 20 4.456 -7.686 5.916 176 HA LYS 20 HA LYS 20 6.197 -9.671 7.189 177 1HB LYS 20 H LYS 20 3.967 -10.359 6.597 178 2HB LYS 20 H LYS 20 4.154 -9.763 4.934 179 1HG LYS 20 H LYS 20 4.368 -12.254 5.109 180 2HG LYS 20 H LYS 20 5.825 -11.485 4.447 181 1HD LYS 20 H LYS 20 6.958 -11.652 6.604 182 2HD LYS 20 H LYS 20 5.473 -12.243 7.385 183 1HE LYS 20 H LYS 20 5.546 -14.308 6.182 184 2HE LYS 20 H LYS 20 6.744 -13.684 5.029 185 1HZ LYS 20 H LYS 20 7.229 -14.149 7.888 186 2HZ LYS 20 H LYS 20 7.720 -15.135 6.661 187 3HZ LYS 20 H LYS 20 8.336 -13.610 6.791 188 H TYR 21 H TYR 21 5.719 -8.612 3.757 189 HA TYR 21 HA TYR 21 8.052 -9.942 2.818 190 1HB TYR 21 HB2 TYR 21 6.323 -7.717 1.713 191 2HB TYR 21 HB1 TYR 21 7.694 -8.390 0.823 192 HD1 TYR 21 HD1 TYR 21 7.687 -10.742 0.056 193 HD2 TYR 21 HD2 TYR 21 4.257 -8.987 1.976 194 HE1 TYR 21 HE1 TYR 21 6.270 -12.611 -0.758 195 HE2 TYR 21 HE2 TYR 21 2.841 -10.856 1.161 196 HH TYR 21 HH TYR 21 2.775 -12.823 -0.008 197 H GLY 22 H GLY 22 7.586 -6.718 4.241 198 1HA GLY 22 HA2 GLY 22 9.409 -5.573 5.264 199 2HA GLY 22 HA1 GLY 22 10.537 -6.358 4.141 200 H GLU 23 H GLU 23 9.966 -3.452 4.840 201 HA GLU 23 HA GLU 23 8.808 -2.251 2.473 202 1HB GLU 23 H GLU 23 8.879 -1.275 4.831 203 2HB GLU 23 H GLU 23 10.612 -0.974 4.572 204 1HG GLU 23 H GLU 23 10.021 0.348 2.518 205 2HG GLU 23 H GLU 23 8.304 0.119 2.908 206 H GLY 24 H GLY 24 9.821 -2.424 0.529 207 1HA GLY 24 HA1 GLY 24 12.064 -1.162 -0.279 208 2HA GLY 24 HA2 GLY 24 12.746 -2.662 0.391 209 H ASN 25 H ASN 25 11.100 -4.648 -0.303 210 HA ASN 25 HA ASN 25 11.484 -4.790 -3.194 211 1HB ASN 25 HB1 ASN 25 10.688 -7.139 -2.895 212 2HB ASN 25 HB2 ASN 25 12.071 -6.721 -1.867 213 1HD2 ASN 25 HD21 ASN 25 10.325 -7.047 1.228 214 2HD2 ASN 25 HD22 ASN 25 11.740 -6.396 0.424 215 H TRP 26 H TRP 26 9.857 -2.806 -3.158 216 HA TRP 26 HA TRP 26 7.082 -3.215 -2.873 217 1HB TRP 26 HB2 TRP 26 8.626 -1.445 -4.800 218 2HB TRP 26 HB1 TRP 26 6.899 -1.297 -4.444 219 HD1 TRP 26 HD1 TRP 26 10.131 0.026 -3.415 220 HE1 TRP 26 HE1 TRP 26 10.007 1.344 -1.204 221 HE3 TRP 26 HE3 TRP 26 5.501 -1.482 -1.841 222 HZ2 TRP 26 HZ2 TRP 26 8.154 1.686 0.940 223 HZ3 TRP 26 HZ3 TRP 26 4.590 -0.634 0.303 224 HH2 TRP 26 HH2 TRP 26 5.906 0.942 1.696 225 H SER 27 H SER 27 9.336 -4.187 -5.415 226 HA SER 27 HA SER 27 7.519 -4.658 -7.526 227 1HB SER 27 HB2 SER 27 9.298 -6.370 -8.207 228 2HB SER 27 HB1 SER 27 9.880 -4.708 -7.946 229 HG SER 27 HG SER 27 11.202 -6.239 -6.890 230 H LYS 28 H LYS 28 8.910 -7.088 -5.233 231 HA LYS 28 HA LYS 28 7.227 -9.218 -5.933 232 1HB LYS 28 H LYS 28 8.620 -8.478 -3.336 233 2HB LYS 28 H LYS 28 7.719 -9.998 -3.540 234 1HG LYS 28 H LYS 28 9.143 -10.643 -5.427 235 2HG LYS 28 H LYS 28 9.987 -9.079 -5.364 236 1HD LYS 28 H LYS 28 11.333 -10.823 -4.263 237 2HD LYS 28 H LYS 28 10.801 -9.611 -3.075 238 1HE LYS 28 H LYS 28 9.093 -11.065 -2.217 239 2HE LYS 28 H LYS 28 9.261 -12.187 -3.585 240 1HZ LYS 28 H LYS 28 11.313 -11.671 -1.547 241 2HZ LYS 28 H LYS 28 10.328 -12.992 -1.602 242 3HZ LYS 28 H LYS 28 11.436 -12.739 -2.798 243 H ILE 29 H ILE 29 6.777 -6.770 -3.311 244 HA ILE 29 HA ILE 29 4.367 -7.759 -2.273 245 HB ILE 29 HB ILE 29 5.529 -4.962 -2.514 246 1HG1 ILE 29 HG11 ILE 29 5.032 -6.592 -0.006 247 2HG1 ILE 29 HG12 ILE 29 6.452 -6.926 -1.022 248 1HG2 ILE 29 HG23 ILE 29 2.932 -5.871 -1.209 249 2HG2 ILE 29 HG22 ILE 29 3.782 -4.390 -0.718 250 3HG2 ILE 29 HG21 ILE 29 3.170 -4.549 -2.375 251 1HD1 ILE 29 HD13 ILE 29 5.750 -4.204 0.163 252 2HD1 ILE 29 HD12 ILE 29 6.980 -5.318 0.797 253 3HD1 ILE 29 HD11 ILE 29 7.188 -4.585 -0.809 254 H LEU 30 H LEU 30 4.823 -5.355 -4.939 255 HA LEU 30 HA LEU 30 2.063 -4.954 -5.450 256 1HB LEU 30 HB2 LEU 30 3.771 -3.420 -6.244 257 2HB LEU 30 HB1 LEU 30 4.525 -4.697 -7.223 258 HG LEU 30 HG LEU 30 2.525 -4.835 -8.652 259 1HD1 LEU 30 HD11 LEU 30 1.436 -2.781 -6.688 260 2HD1 LEU 30 HD12 LEU 30 0.755 -2.996 -8.316 261 3HD1 LEU 30 HD13 LEU 30 0.718 -4.339 -7.155 262 1HD2 LEU 30 HD21 LEU 30 3.460 -1.969 -8.196 263 2HD2 LEU 30 HD23 LEU 30 4.271 -3.182 -9.214 264 3HD2 LEU 30 HD22 LEU 30 2.661 -2.576 -9.666 265 H LEU 31 H LEU 31 4.416 -7.287 -6.880 266 HA LEU 31 HA LEU 31 2.618 -8.322 -8.846 267 1HB LEU 31 HB2 LEU 31 5.243 -9.089 -7.627 268 2HB LEU 31 HB1 LEU 31 4.317 -10.407 -8.370 269 HG LEU 31 HG LEU 31 5.949 -9.250 -9.926 270 1HD1 LEU 31 HD11 LEU 31 3.917 -10.541 -10.683 271 2HD1 LEU 31 HD12 LEU 31 3.039 -8.998 -10.789 272 3HD1 LEU 31 HD13 LEU 31 4.454 -9.287 -11.823 273 1HD2 LEU 31 HD23 LEU 31 5.582 -6.929 -9.100 274 2HD2 LEU 31 HD22 LEU 31 5.352 -7.065 -10.854 275 3HD2 LEU 31 HD21 LEU 31 3.942 -6.957 -9.781 276 H HIS 32 H HIS 32 3.314 -9.312 -5.468 277 HA HIS 32 HA HIS 32 1.739 -11.719 -5.625 278 1HB HIS 32 HB2 HIS 32 2.791 -10.078 -3.294 279 2HB HIS 32 HB1 HIS 32 1.983 -11.648 -3.121 280 HD1 HIS 32 HD1 HIS 32 4.156 -12.772 -2.159 281 HD2 HIS 32 HD2 HIS 32 4.597 -11.233 -6.026 282 HE1 HIS 32 HE1 HIS 32 6.335 -13.668 -3.117 283 H TYR 33 H TYR 33 1.133 -8.506 -4.059 284 HA TYR 33 HA TYR 33 -1.672 -9.207 -3.589 285 1HB TYR 33 HB2 TYR 33 0.031 -6.740 -3.182 286 2HB TYR 33 HB1 TYR 33 -1.712 -6.728 -2.889 287 HD1 TYR 33 HD1 TYR 33 -2.701 -8.124 -1.088 288 HD2 TYR 33 HD2 TYR 33 1.558 -7.812 -1.639 289 HE1 TYR 33 HE1 TYR 33 -2.338 -9.009 1.204 290 HE2 TYR 33 HE2 TYR 33 1.919 -8.696 0.649 291 HH TYR 33 HH TYR 33 -0.802 -9.609 2.791 292 H LYS 34 H LYS 34 -3.154 -7.040 -4.251 293 HA LYS 34 HA LYS 34 -2.643 -6.427 -7.108 294 1HB LYS 34 H LYS 34 -5.007 -7.950 -5.974 295 2HB LYS 34 H LYS 34 -5.222 -6.893 -7.388 296 1HG LYS 34 H LYS 34 -4.633 -8.778 -8.546 297 2HG LYS 34 H LYS 34 -2.986 -8.228 -8.174 298 1HD LYS 34 H LYS 34 -3.252 -9.627 -5.981 299 2HD LYS 34 H LYS 34 -4.626 -10.388 -6.809 300 1HE LYS 34 H LYS 34 -3.188 -11.094 -8.649 301 2HE LYS 34 H LYS 34 -1.813 -10.193 -7.974 302 1HZ LYS 34 H LYS 34 -3.152 -12.447 -6.654 303 2HZ LYS 34 H LYS 34 -1.730 -12.541 -7.483 304 3HZ LYS 34 H LYS 34 -1.821 -11.637 -6.105 305 H PHE 35 H PHE 35 -2.068 -4.374 -6.081 306 HA PHE 35 HA PHE 35 -4.209 -2.832 -4.811 307 1HB PHE 35 HB2 PHE 35 -1.492 -1.936 -5.833 308 2HB PHE 35 HB1 PHE 35 -2.542 -1.079 -4.693 309 HD1 PHE 35 HD1 PHE 35 -2.876 -1.970 -2.384 310 HD2 PHE 35 HD2 PHE 35 -0.018 -3.680 -5.095 311 HE1 PHE 35 HE1 PHE 35 -1.747 -3.089 -0.479 312 HE2 PHE 35 HE2 PHE 35 1.122 -4.790 -3.195 313 HZ PHE 35 HZ PHE 35 0.259 -4.501 -0.883 314 H ASN 36 H ASN 36 -4.714 -0.581 -5.755 315 HA ASN 36 HA ASN 36 -5.361 -0.960 -8.635 316 1HB ASN 36 HB2 ASN 36 -7.202 -0.513 -7.052 317 2HB ASN 36 HB1 ASN 36 -6.416 0.998 -6.556 318 1HD2 ASN 36 HD22 ASN 36 -7.732 0.876 -10.501 319 2HD2 ASN 36 HD21 ASN 36 -6.924 -0.511 -9.807 320 H ASN 37 H ASN 37 -3.996 -0.077 -10.076 321 HA ASN 37 HA ASN 37 -2.316 1.210 -10.963 322 1HB ASN 37 HB1 ASN 37 -2.880 3.566 -11.208 323 2HB ASN 37 HB2 ASN 37 -4.334 2.567 -11.379 324 1HD2 ASN 37 HD21 ASN 37 -3.962 5.255 -8.265 325 2HD2 ASN 37 HD22 ASN 37 -2.538 4.704 -9.125 326 H ARG 38 H ARG 38 -1.722 0.266 -8.295 327 HA ARG 38 HA ARG 38 -0.188 2.510 -7.098 328 1HB ARG 38 H ARG 38 -1.703 0.267 -6.113 329 2HB ARG 38 H ARG 38 -0.020 0.066 -5.594 330 1HG ARG 38 H ARG 38 -1.241 1.338 -3.915 331 2HG ARG 38 H ARG 38 -0.054 2.396 -4.699 332 1HD ARG 38 H ARG 38 -1.914 3.776 -4.768 333 2HD ARG 38 H ARG 38 -2.114 2.938 -6.315 334 HE ARG 38 H ARG 38 -3.467 1.441 -4.297 335 1HH1 ARG 38 H ARG 38 -3.654 4.454 -6.149 336 2HH1 ARG 38 H ARG 38 -5.379 4.640 -5.944 337 1HH2 ARG 38 H ARG 38 -5.750 1.736 -3.965 338 2HH2 ARG 38 H ARG 38 -6.580 3.049 -4.772 339 H THR 39 H THR 39 1.474 2.617 -8.694 340 HA THR 39 HA THR 39 3.079 0.162 -9.124 341 HB THR 39 HB THR 39 4.168 1.588 -10.894 342 HG1 THR 39 HG1 THR 39 3.649 3.598 -9.916 343 1HG2 THR 39 HG22 THR 39 2.246 0.073 -11.379 344 2HG2 THR 39 HG21 THR 39 1.123 1.408 -11.027 345 3HG2 THR 39 HG23 THR 39 2.232 1.521 -12.413 346 H SER 40 H SER 40 4.016 0.091 -7.010 347 HA SER 40 HA SER 40 5.662 0.395 -5.484 348 1HB SER 40 HB2 SER 40 7.869 0.944 -6.299 349 2HB SER 40 HB1 SER 40 7.027 -0.050 -7.506 350 HG SER 40 HG SER 40 6.537 1.906 -8.619 351 H VAL 41 H VAL 41 6.189 3.469 -7.305 352 HA VAL 41 HA VAL 41 6.885 5.056 -5.153 353 HB VAL 41 HB VAL 41 5.285 5.810 -7.639 354 1HG1 VAL 41 HG11 VAL 41 6.858 7.505 -5.647 355 2HG1 VAL 41 HG13 VAL 41 6.292 8.086 -7.231 356 3HG1 VAL 41 HG12 VAL 41 5.114 7.603 -5.990 357 1HG2 VAL 41 HG22 VAL 41 8.272 5.780 -7.007 358 2HG2 VAL 41 HG23 VAL 41 7.424 4.741 -8.177 359 3HG2 VAL 41 HG21 VAL 41 7.555 6.488 -8.473 360 H MET 42 H MET 42 3.554 4.377 -6.338 361 HA MET 42 HA MET 42 2.231 6.172 -4.563 362 1HB MET 42 HB1 MET 42 1.353 3.668 -6.042 363 2HB MET 42 HB2 MET 42 0.242 4.641 -5.053 364 1HG MET 42 HG2 MET 42 -0.066 5.564 -7.162 365 2HG MET 42 HG1 MET 42 1.126 6.658 -6.449 366 1HE MET 42 HE3 MET 42 1.590 7.618 -8.856 367 2HE MET 42 HE1 MET 42 2.030 6.618 -10.261 368 3HE MET 42 HE2 MET 42 0.406 6.481 -9.544 369 H LEU 43 H LEU 43 2.982 2.650 -4.299 370 HA LEU 43 HA LEU 43 1.695 2.205 -1.813 371 1HB LEU 43 HB2 LEU 43 4.168 0.907 -3.040 372 2HB LEU 43 HB1 LEU 43 3.293 0.271 -1.632 373 HG LEU 43 HG LEU 43 1.738 0.867 -4.150 374 1HD1 LEU 43 HD11 LEU 43 3.485 -1.583 -3.671 375 2HD1 LEU 43 HD13 LEU 43 2.219 -1.470 -4.916 376 3HD1 LEU 43 HD12 LEU 43 3.637 -0.405 -4.993 377 1HD2 LEU 43 HD21 LEU 43 0.743 0.121 -1.910 378 2HD2 LEU 43 HD23 LEU 43 0.309 -0.865 -3.318 379 3HD2 LEU 43 HD22 LEU 43 1.546 -1.439 -2.178 380 H LYS 44 H LYS 44 5.071 3.114 -2.599 381 HA LYS 44 HA LYS 44 6.056 3.284 0.044 382 1HB LYS 44 H LYS 44 7.441 3.248 -2.011 383 2HB LYS 44 H LYS 44 6.814 4.844 -2.462 384 1HG LYS 44 H LYS 44 7.714 5.525 -0.039 385 2HG LYS 44 H LYS 44 8.732 4.087 -0.258 386 1HD LYS 44 H LYS 44 10.121 5.605 -1.283 387 2HD LYS 44 H LYS 44 9.090 5.253 -2.688 388 1HE LYS 44 H LYS 44 8.694 7.552 -0.710 389 2HE LYS 44 H LYS 44 9.381 7.701 -2.340 390 1HZ LYS 44 H LYS 44 7.285 6.908 -3.209 391 2HZ LYS 44 H LYS 44 6.651 6.832 -1.690 392 3HZ LYS 44 H LYS 44 7.086 8.288 -2.327 393 H ASP 45 H ASP 45 4.420 5.719 -2.042 394 HA ASP 45 HA ASP 45 4.850 7.961 -0.376 395 1HB ASP 45 H ASP 45 4.052 7.999 -2.743 396 2HB ASP 45 H ASP 45 2.474 7.400 -2.193 397 H ARG 46 H ARG 46 1.856 5.907 -0.622 398 HA ARG 46 HA ARG 46 0.511 7.139 1.535 399 1HB ARG 46 H ARG 46 -0.585 5.616 -0.066 400 2HB ARG 46 H ARG 46 0.354 4.247 0.578 401 1HG ARG 46 H ARG 46 -0.669 4.605 2.821 402 2HG ARG 46 H ARG 46 -1.606 5.973 2.173 403 1HD ARG 46 H ARG 46 -2.714 4.447 0.577 404 2HD ARG 46 H ARG 46 -1.763 3.091 1.201 405 HE ARG 46 H ARG 46 -3.075 3.034 3.147 406 1HH1 ARG 46 H ARG 46 -3.878 5.875 1.168 407 2HH1 ARG 46 H ARG 46 -5.412 6.149 1.957 408 1HH2 ARG 46 H ARG 46 -5.030 3.467 4.239 409 2HH2 ARG 46 H ARG 46 -6.058 4.796 3.733 410 H TRP 47 H TRP 47 2.719 4.290 1.486 411 HA TRP 47 HA TRP 47 2.459 3.588 4.197 412 1HB TRP 47 HB1 TRP 47 3.577 2.257 2.421 413 2HB TRP 47 HB2 TRP 47 4.922 3.408 2.431 414 HD1 TRP 47 HD1 TRP 47 6.873 2.581 3.765 415 HE1 TRP 47 HE1 TRP 47 7.311 1.067 5.804 416 HE3 TRP 47 HE3 TRP 47 2.035 1.416 4.918 417 HZ2 TRP 47 HZ2 TRP 47 5.741 -0.454 7.668 418 HZ3 TRP 47 HZ3 TRP 47 1.546 -0.056 6.842 419 HH2 TRP 47 HH2 TRP 47 3.373 -1.015 8.207 420 H ARG 48 H ARG 48 4.792 5.846 2.628 421 HA ARG 48 HA ARG 48 6.270 6.522 4.923 422 1HB ARG 48 H ARG 48 5.628 7.839 2.294 423 2HB ARG 48 H ARG 48 6.399 8.821 3.552 424 1HG ARG 48 H ARG 48 7.488 6.086 2.772 425 2HG ARG 48 H ARG 48 7.946 7.557 1.885 426 1HD ARG 48 H ARG 48 8.360 7.011 4.856 427 2HD ARG 48 H ARG 48 9.616 7.126 3.615 428 HE ARG 48 H ARG 48 8.169 9.336 4.916 429 1HH1 ARG 48 H ARG 48 10.278 8.335 2.235 430 2HH1 ARG 48 H ARG 48 10.819 9.960 1.895 431 1HH2 ARG 48 H ARG 48 8.785 11.450 4.389 432 2HH2 ARG 48 H ARG 48 10.005 11.740 3.158 433 H THR 49 H THR 49 3.432 8.244 3.494 434 HA THR 49 HA THR 49 3.169 10.201 5.491 435 HB THR 49 HB THR 49 0.928 8.854 3.928 436 HG1 THR 49 HG1 THR 49 2.799 10.874 3.247 437 1HG2 THR 49 HG21 THR 49 1.279 11.641 5.126 438 2HG2 THR 49 HG22 THR 49 -0.071 11.148 4.076 439 3HG2 THR 49 HG23 THR 49 0.136 10.390 5.672 440 H MET 50 H MET 50 1.777 6.887 5.320 441 HA MET 50 HA MET 50 0.227 7.180 7.698 442 1HB MET 50 HB1 MET 50 -0.218 5.509 5.896 443 2HB MET 50 HB2 MET 50 1.279 4.658 6.338 444 1HG MET 50 HG1 MET 50 -0.672 3.571 7.350 445 2HG MET 50 HG2 MET 50 0.389 4.237 8.596 446 1HE MET 50 HE1 MET 50 -1.554 3.833 10.332 447 2HE MET 50 HE2 MET 50 -3.204 4.476 10.150 448 3HE MET 50 HE3 MET 50 -2.608 3.223 9.034 449 H LYS 51 H LYS 51 3.583 6.238 7.088 450 HA LYS 51 HA LYS 51 4.011 5.258 9.800 451 1HB LYS 51 H LYS 51 5.278 4.710 7.553 452 2HB LYS 51 H LYS 51 6.177 6.201 7.904 453 1HG LYS 51 H LYS 51 7.523 4.731 9.054 454 2HG LYS 51 H LYS 51 6.332 5.021 10.343 455 1HD LYS 51 H LYS 51 5.059 3.020 9.621 456 2HD LYS 51 H LYS 51 6.235 2.741 8.312 457 1HE LYS 51 H LYS 51 8.046 2.571 10.049 458 2HE LYS 51 H LYS 51 6.800 2.703 11.310 459 1HZ LYS 51 H LYS 51 5.795 0.722 10.425 460 2HZ LYS 51 H LYS 51 6.960 0.600 9.264 461 3HZ LYS 51 H LYS 51 7.362 0.435 10.855 462 H LYS 52 H LYS 52 2.902 8.110 9.209 463 HA LYS 52 HA LYS 52 3.172 10.257 9.924 464 1HB LYS 52 H LYS 52 4.804 8.862 12.092 465 2HB LYS 52 H LYS 52 4.215 10.539 12.160 466 1HG LYS 52 H LYS 52 1.898 9.799 12.079 467 2HG LYS 52 H LYS 52 2.398 8.117 11.791 468 1HD LYS 52 H LYS 52 1.773 8.419 14.147 469 2HD LYS 52 H LYS 52 3.511 8.068 14.018 470 1HE LYS 52 H LYS 52 2.679 10.957 13.960 471 2HE LYS 52 H LYS 52 2.534 10.103 15.511 472 1HZ LYS 52 H LYS 52 4.983 10.236 13.894 473 2HZ LYS 52 H LYS 52 4.670 11.160 15.222 474 3HZ LYS 52 H LYS 52 4.825 9.525 15.372 475 H LEU 53 H LEU 53 4.777 9.535 7.801 476 HA LEU 53 HA LEU 53 7.090 11.333 8.232 477 1HB LEU 53 HB2 LEU 53 7.384 8.529 8.448 478 2HB LEU 53 HB1 LEU 53 7.965 8.920 6.820 479 HG LEU 53 HG LEU 53 8.849 10.405 9.335 480 1HD1 LEU 53 HD11 LEU 53 10.221 8.141 7.818 481 2HD1 LEU 53 HD12 LEU 53 10.933 9.073 9.157 482 3HD1 LEU 53 HD13 LEU 53 9.521 8.029 9.451 483 1HD2 LEU 53 HD22 LEU 53 9.916 10.291 6.477 484 2HD2 LEU 53 HD23 LEU 53 9.140 11.686 7.261 485 3HD2 LEU 53 HD21 LEU 53 10.725 11.117 7.829 No H/Q in entry = 485
Contact the webmaster for help, if required. Tuesday, May 21, 2024 12:55:01 PM GMT (wattos1)