NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
639074 | 6qbz | 27085 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 0.588 14.638 -7.742 2 H2 MET 1 HT2 MET 1 1.756 14.629 -6.521 3 H3 MET 1 HT3 MET 1 1.001 16.080 -6.961 4 HA MET 1 HA MET 1 0.117 15.252 -4.891 5 HB2 MET 1 HB2 MET 1 -1.359 16.516 -6.384 6 HB3 MET 1 HB1 MET 1 -1.799 15.035 -7.221 7 HG2 MET 1 HG2 MET 1 -2.823 14.179 -5.177 8 HG3 MET 1 HG1 MET 1 -2.377 15.661 -4.334 9 HE1 MET 1 HE1 MET 1 -3.403 18.026 -4.842 10 HE2 MET 1 HE2 MET 1 -4.585 18.343 -6.112 11 HE3 MET 1 HE3 MET 1 -2.931 17.904 -6.537 12 H ILE 2 HN ILE 2 -0.188 13.522 -3.650 13 HA ILE 2 HA ILE 2 -0.002 10.881 -4.637 14 HB ILE 2 HB ILE 2 -0.649 10.187 -2.346 15 HG12 ILE 2 HG12 ILE 2 -0.933 13.161 -1.832 16 HG13 ILE 2 HG11 ILE 2 -2.266 12.014 -1.894 17 HG21 ILE 2 HG21 ILE 2 1.389 12.408 -2.461 18 HG22 ILE 2 HG22 ILE 2 1.672 10.720 -2.878 19 HG23 ILE 2 HG23 ILE 2 1.289 11.164 -1.215 20 HD11 ILE 2 HD11 ILE 2 -0.024 12.028 0.111 21 HD12 ILE 2 HD12 ILE 2 -1.335 10.850 0.047 22 HD13 ILE 2 HD13 ILE 2 -1.685 12.544 0.391 23 H ARG 3 HN ARG 3 -1.519 9.675 -5.592 24 HA ARG 3 HA ARG 3 -4.276 10.593 -5.520 25 HB2 ARG 3 HB2 ARG 3 -2.785 8.868 -7.464 26 HB3 ARG 3 HB1 ARG 3 -4.431 9.356 -7.605 27 HG2 ARG 3 HG2 ARG 3 -3.886 11.589 -8.033 28 HG3 ARG 3 HG1 ARG 3 -2.230 11.357 -7.468 29 HD2 ARG 3 HD2 ARG 3 -2.395 11.506 -9.927 30 HD3 ARG 3 HD1 ARG 3 -1.722 9.976 -9.375 31 HE ARG 3 HE ARG 3 -3.711 8.887 -10.027 32 HH11 ARG 3 HH11 ARG 3 -3.748 12.314 -10.762 33 HH12 ARG 3 HH12 ARG 3 -4.998 12.176 -11.953 34 HH21 ARG 3 HH21 ARG 3 -5.355 8.696 -11.626 35 HH22 ARG 3 HH22 ARG 3 -5.913 10.128 -12.436 36 H PHE 4 HN PHE 4 -5.898 9.046 -5.474 37 HA PHE 4 HA PHE 4 -5.174 6.319 -4.740 38 HB2 PHE 4 HB2 PHE 4 -6.810 6.247 -2.992 39 HB3 PHE 4 HB1 PHE 4 -5.828 7.683 -2.744 40 HD1 PHE 4 HD1 PHE 4 -6.760 9.928 -3.399 41 HD2 PHE 4 HD2 PHE 4 -9.137 6.404 -3.195 42 HE1 PHE 4 HE1 PHE 4 -8.792 11.310 -3.265 43 HE2 PHE 4 HE2 PHE 4 -11.169 7.777 -3.066 44 HZ PHE 4 HZ PHE 4 -11.000 10.232 -3.101 45 H GLU 5 HN GLU 5 -5.891 5.070 -6.309 46 HA GLU 5 HA GLU 5 -8.288 5.930 -7.773 47 HB2 GLU 5 HB2 GLU 5 -5.793 4.600 -8.861 48 HB3 GLU 5 HB1 GLU 5 -7.241 4.945 -9.801 49 HG2 GLU 5 HG2 GLU 5 -6.946 7.326 -9.419 50 HG3 GLU 5 HG1 GLU 5 -5.532 7.005 -8.421 51 H ILE 6 HN ILE 6 -9.591 4.750 -6.564 52 HA ILE 6 HA ILE 6 -9.110 1.882 -6.243 53 HB ILE 6 HB ILE 6 -11.090 3.765 -4.961 54 HG12 ILE 6 HG12 ILE 6 -8.642 2.508 -3.730 55 HG13 ILE 6 HG11 ILE 6 -8.672 4.133 -4.403 56 HG21 ILE 6 HG21 ILE 6 -11.947 1.461 -5.011 57 HG22 ILE 6 HG22 ILE 6 -11.540 1.949 -3.365 58 HG23 ILE 6 HG23 ILE 6 -10.456 0.892 -4.262 59 HD11 ILE 6 HD11 ILE 6 -10.273 3.111 -2.074 60 HD12 ILE 6 HD12 ILE 6 -10.446 4.714 -2.790 61 HD13 ILE 6 HD13 ILE 6 -8.927 4.249 -2.030 62 H HIS 7 HN HIS 7 -10.449 0.408 -7.066 63 HA HIS 7 HA HIS 7 -13.056 1.250 -8.195 64 HB2 HIS 7 HB2 HIS 7 -11.144 -0.894 -9.040 65 HB3 HIS 7 HB1 HIS 7 -12.863 -1.104 -9.305 66 HD1 HIS 7 HD1 HIS 7 -9.939 0.210 -10.932 67 HD2 HIS 7 HD2 HIS 7 -13.982 1.171 -10.870 68 HE1 HIS 7 HE1 HIS 7 -10.336 1.605 -12.986 69 HE2 HIS 7 HE2 HIS 7 -12.802 2.128 -12.959 70 H GLY 8 HN GLY 8 -14.233 0.942 -6.260 71 HA2 GLY 8 HA2 GLY 8 -13.717 -1.683 -5.119 72 HA3 GLY 8 HA1 GLY 8 -14.261 -0.316 -4.153 73 H ASP 9 HN ASP 9 -15.198 -3.091 -5.841 74 HA ASP 9 HA ASP 9 -18.019 -2.295 -5.859 75 HB2 ASP 9 HB2 ASP 9 -16.704 -4.851 -6.812 76 HB3 ASP 9 HB1 ASP 9 -18.428 -4.532 -6.874 77 H ASN 10 HN ASN 10 -18.142 -2.096 -3.601 78 HA ASN 10 HA ASN 10 -18.442 -4.677 -2.222 79 HB2 ASN 10 HB2 ASN 10 -17.708 -3.607 -0.126 80 HB3 ASN 10 HB1 ASN 10 -16.441 -3.563 -1.343 81 HD21 ASN 10 HD21 ASN 10 -17.163 -1.882 1.072 82 HD22 ASN 10 HD22 ASN 10 -17.114 -0.258 0.480 83 H LEU 11 HN LEU 11 -19.524 -3.564 0.164 84 HA LEU 11 HA LEU 11 -22.189 -2.947 -0.760 85 HB2 LEU 11 HB2 LEU 11 -21.072 -3.131 2.043 86 HB3 LEU 11 HB1 LEU 11 -22.763 -2.890 1.658 87 HG LEU 11 HG LEU 11 -22.611 -5.134 0.410 88 HD11 LEU 11 HD11 LEU 11 -20.212 -5.367 0.339 89 HD12 LEU 11 HD12 LEU 11 -20.906 -6.670 1.304 90 HD13 LEU 11 HD13 LEU 11 -20.123 -5.307 2.098 91 HD21 LEU 11 HD21 LEU 11 -22.353 -5.020 3.410 92 HD22 LEU 11 HD22 LEU 11 -22.989 -6.382 2.488 93 HD23 LEU 11 HD23 LEU 11 -23.839 -4.837 2.479 94 H THR 12 HN THR 12 -19.767 -1.354 1.286 95 HA THR 12 HA THR 12 -21.259 1.129 1.194 96 HB THR 12 HB THR 12 -19.200 1.864 2.636 97 HG1 THR 12 HG1 THR 12 -18.968 -0.692 3.563 98 HG21 THR 12 HG21 THR 12 -21.453 1.615 3.519 99 HG22 THR 12 HG22 THR 12 -20.283 0.932 4.647 100 HG23 THR 12 HG23 THR 12 -21.244 -0.133 3.620 101 H ILE 13 HN ILE 13 -20.949 1.423 -1.131 102 HA ILE 13 HA ILE 13 -18.241 2.231 -1.918 103 HB ILE 13 HB ILE 13 -20.679 2.165 -3.701 104 HG12 ILE 13 HG12 ILE 13 -18.661 -0.050 -3.274 105 HG13 ILE 13 HG11 ILE 13 -20.324 -0.070 -2.698 106 HG21 ILE 13 HG21 ILE 13 -19.032 2.010 -5.494 107 HG22 ILE 13 HG22 ILE 13 -17.727 2.028 -4.309 108 HG23 ILE 13 HG23 ILE 13 -18.757 3.445 -4.507 109 HD11 ILE 13 HD11 ILE 13 -20.063 -1.388 -4.720 110 HD12 ILE 13 HD12 ILE 13 -19.462 0.031 -5.577 111 HD13 ILE 13 HD13 ILE 13 -21.126 -0.008 -4.995 112 H THR 14 HN THR 14 -18.246 4.171 -0.621 113 HA THR 14 HA THR 14 -19.601 6.369 -1.936 114 HB THR 14 HB THR 14 -21.291 5.672 -0.345 115 HG1 THR 14 HG1 THR 14 -21.648 7.646 0.550 116 HG21 THR 14 HG21 THR 14 -20.890 5.743 2.079 117 HG22 THR 14 HG22 THR 14 -19.181 6.046 1.772 118 HG23 THR 14 HG23 THR 14 -19.907 4.517 1.278 119 H ASP 15 HN ASP 15 -19.145 8.396 -0.236 120 HA ASP 15 HA ASP 15 -16.383 8.869 -0.683 121 HB2 ASP 15 HB2 ASP 15 -16.720 11.019 0.383 122 HB3 ASP 15 HB1 ASP 15 -18.085 10.674 -0.670 123 H ALA 16 HN ALA 16 -18.141 7.579 1.964 124 HA ALA 16 HA ALA 16 -16.695 8.017 4.218 125 HB1 ALA 16 HB1 ALA 16 -18.683 6.568 4.056 126 HB2 ALA 16 HB2 ALA 16 -17.373 5.812 4.964 127 HB3 ALA 16 HB3 ALA 16 -17.684 5.325 3.294 128 H ILE 17 HN ILE 17 -16.088 5.258 2.093 129 HA ILE 17 HA ILE 17 -13.661 4.527 3.362 130 HB ILE 17 HB ILE 17 -14.943 3.735 0.772 131 HG12 ILE 17 HG12 ILE 17 -14.994 1.490 2.124 132 HG13 ILE 17 HG11 ILE 17 -14.690 2.533 3.516 133 HG21 ILE 17 HG21 ILE 17 -12.409 2.609 1.976 134 HG22 ILE 17 HG22 ILE 17 -12.546 3.504 0.461 135 HG23 ILE 17 HG23 ILE 17 -13.283 1.908 0.613 136 HD11 ILE 17 HD11 ILE 17 -16.736 3.730 3.100 137 HD12 ILE 17 HD12 ILE 17 -17.060 2.002 3.220 138 HD13 ILE 17 HD13 ILE 17 -17.030 2.787 1.639 139 H ARG 18 HN ARG 18 -14.473 6.254 0.404 140 HA ARG 18 HA ARG 18 -11.934 6.324 -0.671 141 HB2 ARG 18 HB2 ARG 18 -14.119 8.407 -0.892 142 HB3 ARG 18 HB1 ARG 18 -12.696 8.342 -1.922 143 HG2 ARG 18 HG2 ARG 18 -13.405 6.113 -2.709 144 HG3 ARG 18 HG1 ARG 18 -14.867 6.264 -1.733 145 HD2 ARG 18 HD2 ARG 18 -15.409 6.867 -3.981 146 HD3 ARG 18 HD1 ARG 18 -15.418 8.332 -3.002 147 HE ARG 18 HE ARG 18 -12.890 7.894 -4.247 148 HH11 ARG 18 HH11 ARG 18 -16.116 9.126 -4.785 149 HH12 ARG 18 HH12 ARG 18 -15.651 10.135 -6.117 150 HH21 ARG 18 HH21 ARG 18 -12.263 9.225 -6.003 151 HH22 ARG 18 HH22 ARG 18 -13.459 10.181 -6.818 152 H ASN 19 HN ASN 19 -13.613 8.590 1.436 153 HA ASN 19 HA ASN 19 -11.488 10.315 2.020 154 HB2 ASN 19 HB2 ASN 19 -13.871 10.753 2.593 155 HB3 ASN 19 HB1 ASN 19 -13.784 9.495 3.819 156 HD21 ASN 19 HD21 ASN 19 -12.859 9.930 5.761 157 HD22 ASN 19 HD22 ASN 19 -12.278 11.497 6.213 158 H TYR 20 HN TYR 20 -12.652 7.405 3.699 159 HA TYR 20 HA TYR 20 -10.905 7.164 5.797 160 HB2 TYR 20 HB2 TYR 20 -12.833 5.596 5.000 161 HB3 TYR 20 HB1 TYR 20 -11.588 4.799 4.056 162 HD1 TYR 20 HD1 TYR 20 -9.388 4.205 5.548 163 HD2 TYR 20 HD2 TYR 20 -13.362 4.639 7.004 164 HE1 TYR 20 HE1 TYR 20 -8.838 2.767 7.465 165 HE2 TYR 20 HE2 TYR 20 -12.820 3.210 8.928 166 HH TYR 20 HH TYR 20 -9.600 2.281 9.691 167 H ILE 21 HN ILE 21 -10.275 6.524 2.392 168 HA ILE 21 HA ILE 21 -7.778 5.136 2.938 169 HB ILE 21 HB ILE 21 -9.142 5.933 0.368 170 HG12 ILE 21 HG12 ILE 21 -10.422 4.232 1.541 171 HG13 ILE 21 HG11 ILE 21 -9.645 3.505 0.140 172 HG21 ILE 21 HG21 ILE 21 -6.735 5.751 0.058 173 HG22 ILE 21 HG22 ILE 21 -7.552 4.413 -0.747 174 HG23 ILE 21 HG23 ILE 21 -6.743 4.148 0.794 175 HD11 ILE 21 HD11 ILE 21 -7.896 2.602 1.618 176 HD12 ILE 21 HD12 ILE 21 -9.510 2.017 2.021 177 HD13 ILE 21 HD13 ILE 21 -8.757 3.272 3.004 178 H GLU 22 HN GLU 22 -9.185 8.110 1.991 179 HA GLU 22 HA GLU 22 -6.872 9.249 0.934 180 HB2 GLU 22 HB2 GLU 22 -9.098 10.179 0.465 181 HB3 GLU 22 HB1 GLU 22 -9.247 10.646 2.153 182 HG2 GLU 22 HG2 GLU 22 -7.296 12.139 1.870 183 HG3 GLU 22 HG1 GLU 22 -7.271 11.725 0.157 184 H GLU 23 HN GLU 23 -8.274 8.974 4.055 185 HA GLU 23 HA GLU 23 -6.473 10.645 5.495 186 HB2 GLU 23 HB2 GLU 23 -7.937 8.286 6.657 187 HB3 GLU 23 HB1 GLU 23 -7.491 9.790 7.449 188 HG2 GLU 23 HG2 GLU 23 -9.133 10.989 6.117 189 HG3 GLU 23 HG1 GLU 23 -9.574 9.480 5.284 190 H LYS 24 HN LYS 24 -6.758 7.131 4.993 191 HA LYS 24 HA LYS 24 -4.489 6.355 6.432 192 HB2 LYS 24 HB2 LYS 24 -6.353 5.103 4.760 193 HB3 LYS 24 HB1 LYS 24 -4.796 4.783 4.020 194 HG2 LYS 24 HG2 LYS 24 -5.397 3.001 5.548 195 HG3 LYS 24 HG1 LYS 24 -3.967 3.859 6.120 196 HD2 LYS 24 HD2 LYS 24 -5.462 5.191 7.617 197 HD3 LYS 24 HD1 LYS 24 -6.793 4.142 7.130 198 HE2 LYS 24 HE2 LYS 24 -5.619 2.210 8.014 199 HE3 LYS 24 HE1 LYS 24 -4.241 3.221 8.443 200 HZ1 LYS 24 HZ1 LYS 24 -5.529 2.881 10.386 201 HZ2 LYS 24 HZ2 LYS 24 -6.963 3.308 9.609 202 HZ3 LYS 24 HZ3 LYS 24 -5.783 4.484 9.910 203 H ILE 25 HN ILE 25 -4.661 6.485 2.900 204 HA ILE 25 HA ILE 25 -1.926 6.428 2.411 205 HB ILE 25 HB ILE 25 -4.283 7.295 0.807 206 HG12 ILE 25 HG12 ILE 25 -3.452 5.555 -0.721 207 HG13 ILE 25 HG11 ILE 25 -2.033 5.336 0.293 208 HG21 ILE 25 HG21 ILE 25 -2.872 7.904 -1.104 209 HG22 ILE 25 HG22 ILE 25 -1.442 7.784 -0.079 210 HG23 ILE 25 HG23 ILE 25 -2.661 9.015 0.249 211 HD11 ILE 25 HD11 ILE 25 -3.692 3.584 0.634 212 HD12 ILE 25 HD12 ILE 25 -4.872 4.799 1.126 213 HD13 ILE 25 HD13 ILE 25 -3.429 4.527 2.101 214 H GLY 26 HN GLY 26 -4.047 9.220 2.933 215 HA2 GLY 26 HA2 GLY 26 -2.178 11.239 2.501 216 HA3 GLY 26 HA1 GLY 26 -3.529 11.339 3.622 217 H LYS 27 HN LYS 27 -2.684 9.203 5.383 218 HA LYS 27 HA LYS 27 -0.945 10.896 6.937 219 HB2 LYS 27 HB2 LYS 27 -2.782 8.679 7.480 220 HB3 LYS 27 HB1 LYS 27 -1.347 8.697 8.491 221 HG2 LYS 27 HG2 LYS 27 -3.237 9.871 9.521 222 HG3 LYS 27 HG1 LYS 27 -1.862 10.938 9.241 223 HD2 LYS 27 HD2 LYS 27 -2.970 11.716 7.154 224 HD3 LYS 27 HD1 LYS 27 -4.377 10.742 7.585 225 HE2 LYS 27 HE2 LYS 27 -4.616 12.023 9.660 226 HE3 LYS 27 HE1 LYS 27 -3.217 12.997 9.218 227 HZ1 LYS 27 HZ1 LYS 27 -5.781 12.848 7.730 228 HZ2 LYS 27 HZ2 LYS 27 -4.428 13.739 7.248 229 HZ3 LYS 27 HZ3 LYS 27 -5.244 14.147 8.670 230 H LEU 28 HN LEU 28 -0.865 7.979 5.125 231 HA LEU 28 HA LEU 28 1.623 7.021 6.081 232 HB2 LEU 28 HB2 LEU 28 0.392 6.563 3.381 233 HB3 LEU 28 HB1 LEU 28 1.579 5.550 4.193 234 HG LEU 28 HG LEU 28 -1.167 6.112 5.266 235 HD11 LEU 28 HD11 LEU 28 -1.254 4.859 3.122 236 HD12 LEU 28 HD12 LEU 28 -1.790 3.887 4.488 237 HD13 LEU 28 HD13 LEU 28 -0.182 3.642 3.808 238 HD21 LEU 28 HD21 LEU 28 0.973 4.128 6.039 239 HD22 LEU 28 HD22 LEU 28 -0.667 4.139 6.683 240 HD23 LEU 28 HD23 LEU 28 0.403 5.507 6.979 241 H GLU 29 HN GLU 29 0.699 8.864 3.199 242 HA GLU 29 HA GLU 29 3.387 9.184 2.328 243 HB2 GLU 29 HB2 GLU 29 0.890 10.649 1.478 244 HB3 GLU 29 HB1 GLU 29 2.440 10.709 0.647 245 HG2 GLU 29 HG2 GLU 29 0.582 8.371 0.942 246 HG3 GLU 29 HG1 GLU 29 1.104 9.172 -0.540 247 H ARG 30 HN ARG 30 1.294 11.020 4.460 248 HA ARG 30 HA ARG 30 2.962 13.319 4.420 249 HB2 ARG 30 HB2 ARG 30 0.891 12.457 6.298 250 HB3 ARG 30 HB1 ARG 30 1.812 13.910 6.575 251 HG2 ARG 30 HG2 ARG 30 0.029 13.314 4.223 252 HG3 ARG 30 HG1 ARG 30 -0.308 14.438 5.538 253 HD2 ARG 30 HD2 ARG 30 1.491 15.871 4.843 254 HD3 ARG 30 HD1 ARG 30 2.021 14.699 3.640 255 HE ARG 30 HE ARG 30 -0.657 15.888 3.447 256 HH11 ARG 30 HH11 ARG 30 2.565 15.456 2.147 257 HH12 ARG 30 HH12 ARG 30 2.157 16.053 0.574 258 HH21 ARG 30 HH21 ARG 30 -1.204 16.693 1.373 259 HH22 ARG 30 HH22 ARG 30 0.005 16.763 0.132 260 H TYR 31 HN TYR 31 3.544 10.274 5.624 261 HA TYR 31 HA TYR 31 5.321 11.039 7.739 262 HB2 TYR 31 HB2 TYR 31 5.263 8.570 5.987 263 HB3 TYR 31 HB1 TYR 31 6.380 8.790 7.325 264 HD1 TYR 31 HD1 TYR 31 3.964 6.760 6.653 265 HD2 TYR 31 HD2 TYR 31 4.537 9.999 9.352 266 HE1 TYR 31 HE1 TYR 31 2.299 5.782 8.170 267 HE2 TYR 31 HE2 TYR 31 2.867 9.026 10.875 268 HH TYR 31 HH TYR 31 0.988 7.494 10.819 269 H PHE 32 HN PHE 32 5.366 11.062 4.321 270 HA PHE 32 HA PHE 32 8.224 11.696 4.226 271 HB2 PHE 32 HB2 PHE 32 6.533 11.375 1.797 272 HB3 PHE 32 HB1 PHE 32 8.215 10.960 2.048 273 HD1 PHE 32 HD1 PHE 32 5.482 9.418 1.024 274 HD2 PHE 32 HD2 PHE 32 8.170 9.166 4.335 275 HE1 PHE 32 HE1 PHE 32 4.900 7.052 1.335 276 HE2 PHE 32 HE2 PHE 32 7.586 6.799 4.629 277 HZ PHE 32 HZ PHE 32 5.949 5.740 3.130 278 H ASN 33 HN ASN 33 8.792 13.574 2.873 279 HA ASN 33 HA ASN 33 6.461 15.190 2.191 280 HB2 ASN 33 HB2 ASN 33 7.687 17.246 2.578 281 HB3 ASN 33 HB1 ASN 33 7.756 16.255 4.028 282 HD21 ASN 33 HD21 ASN 33 9.490 18.411 2.977 283 HD22 ASN 33 HD22 ASN 33 11.085 17.740 2.955 284 H ASP 34 HN ASP 34 9.371 13.765 1.135 285 HA ASP 34 HA ASP 34 9.514 15.298 -1.221 286 HB2 ASP 34 HB2 ASP 34 11.556 14.559 0.022 287 HB3 ASP 34 HB1 ASP 34 11.193 12.924 -0.514 288 H VAL 35 HN VAL 35 7.218 13.610 -0.712 289 HA VAL 35 HA VAL 35 7.419 11.723 -2.935 290 HB VAL 35 HB VAL 35 6.792 10.734 -0.814 291 HG11 VAL 35 HG11 VAL 35 4.668 11.215 0.281 292 HG12 VAL 35 HG12 VAL 35 4.374 12.519 -0.869 293 HG13 VAL 35 HG13 VAL 35 5.726 12.627 0.258 294 HG21 VAL 35 HG21 VAL 35 4.529 10.775 -2.802 295 HG22 VAL 35 HG22 VAL 35 4.751 9.565 -1.538 296 HG23 VAL 35 HG23 VAL 35 5.937 9.713 -2.835 297 HA PRO 36 HA PRO 36 4.758 14.835 -4.929 298 HB2 PRO 36 HB2 PRO 36 5.884 13.786 -7.402 299 HB3 PRO 36 HB1 PRO 36 5.991 15.418 -6.739 300 HG2 PRO 36 HG2 PRO 36 8.127 13.756 -6.891 301 HG3 PRO 36 HG1 PRO 36 7.948 14.977 -5.618 302 HD2 PRO 36 HD2 PRO 36 7.392 12.032 -5.508 303 HD3 PRO 36 HD1 PRO 36 8.203 13.070 -4.314 304 H ASN 37 HN ASN 37 5.357 11.450 -5.833 305 HA ASN 37 HA ASN 37 2.532 11.244 -6.614 306 HB2 ASN 37 HB2 ASN 37 4.870 10.066 -8.130 307 HB3 ASN 37 HB1 ASN 37 3.177 9.728 -8.471 308 HD21 ASN 37 HD21 ASN 37 5.755 11.996 -8.757 309 HD22 ASN 37 HD22 ASN 37 4.935 13.121 -9.785 310 H ALA 38 HN ALA 38 1.608 9.923 -5.236 311 HA ALA 38 HA ALA 38 2.660 7.183 -5.037 312 HB1 ALA 38 HB1 ALA 38 1.559 8.734 -2.676 313 HB2 ALA 38 HB2 ALA 38 3.260 8.340 -2.921 314 HB3 ALA 38 HB3 ALA 38 2.081 7.051 -2.672 315 H VAL 39 HN VAL 39 0.979 5.714 -5.438 316 HA VAL 39 HA VAL 39 -1.699 6.868 -5.764 317 HB VAL 39 HB VAL 39 0.073 5.197 -7.480 318 HG11 VAL 39 HG11 VAL 39 -2.903 4.974 -7.712 319 HG12 VAL 39 HG12 VAL 39 -1.879 3.790 -6.887 320 HG13 VAL 39 HG13 VAL 39 -1.662 4.099 -8.619 321 HG21 VAL 39 HG21 VAL 39 -0.846 6.506 -9.254 322 HG22 VAL 39 HG22 VAL 39 -0.371 7.574 -7.934 323 HG23 VAL 39 HG23 VAL 39 -2.074 7.177 -8.179 324 H ALA 40 HN ALA 40 -3.476 5.438 -5.299 325 HA ALA 40 HA ALA 40 -2.752 2.735 -4.303 326 HB1 ALA 40 HB1 ALA 40 -4.632 2.869 -2.722 327 HB2 ALA 40 HB2 ALA 40 -4.936 4.534 -3.219 328 HB3 ALA 40 HB3 ALA 40 -3.429 4.119 -2.403 329 H HIS 41 HN HIS 41 -3.131 1.888 -6.351 330 HA HIS 41 HA HIS 41 -5.774 2.045 -7.550 331 HB2 HIS 41 HB2 HIS 41 -3.648 1.791 -8.896 332 HB3 HIS 41 HB1 HIS 41 -3.469 0.187 -8.210 333 HD1 HIS 41 HD1 HIS 41 -5.324 -1.597 -8.914 334 HD2 HIS 41 HD2 HIS 41 -5.306 1.953 -11.075 335 HE1 HIS 41 HE1 HIS 41 -6.660 -2.063 -10.990 336 HE2 HIS 41 HE2 HIS 41 -6.773 0.145 -12.196 337 H VAL 42 HN VAL 42 -7.250 1.126 -6.118 338 HA VAL 42 HA VAL 42 -6.599 -1.565 -5.042 339 HB VAL 42 HB VAL 42 -7.616 0.975 -3.857 340 HG11 VAL 42 HG11 VAL 42 -8.383 -1.718 -2.798 341 HG12 VAL 42 HG12 VAL 42 -9.462 -0.615 -3.648 342 HG13 VAL 42 HG13 VAL 42 -8.773 -0.147 -2.093 343 HG21 VAL 42 HG21 VAL 42 -5.345 0.237 -3.453 344 HG22 VAL 42 HG22 VAL 42 -5.976 -1.333 -2.904 345 HG23 VAL 42 HG23 VAL 42 -6.293 0.123 -1.956 346 H LYS 43 HN LYS 43 -8.303 -2.918 -4.864 347 HA LYS 43 HA LYS 43 -10.898 -2.110 -5.921 348 HB2 LYS 43 HB2 LYS 43 -9.765 -2.665 -7.973 349 HB3 LYS 43 HB1 LYS 43 -9.216 -4.188 -7.323 350 HG2 LYS 43 HG2 LYS 43 -11.762 -4.684 -7.065 351 HG3 LYS 43 HG1 LYS 43 -11.921 -3.407 -8.273 352 HD2 LYS 43 HD2 LYS 43 -10.301 -5.939 -8.533 353 HD3 LYS 43 HD1 LYS 43 -11.813 -5.571 -9.363 354 HE2 LYS 43 HE2 LYS 43 -10.814 -4.003 -10.752 355 HE3 LYS 43 HE1 LYS 43 -9.443 -3.770 -9.670 356 HZ1 LYS 43 HZ1 LYS 43 -8.637 -5.960 -10.242 357 HZ2 LYS 43 HZ2 LYS 43 -8.841 -5.036 -11.647 358 HZ3 LYS 43 HZ3 LYS 43 -9.972 -6.225 -11.252 359 H VAL 44 HN VAL 44 -12.120 -2.704 -4.433 360 HA VAL 44 HA VAL 44 -11.844 -5.310 -3.100 361 HB VAL 44 HB VAL 44 -12.204 -3.083 -1.798 362 HG11 VAL 44 HG11 VAL 44 -14.932 -3.520 -2.943 363 HG12 VAL 44 HG12 VAL 44 -13.848 -2.165 -3.301 364 HG13 VAL 44 HG13 VAL 44 -14.534 -2.346 -1.681 365 HG21 VAL 44 HG21 VAL 44 -14.156 -5.349 -1.410 366 HG22 VAL 44 HG22 VAL 44 -13.813 -4.089 -0.224 367 HG23 VAL 44 HG23 VAL 44 -12.549 -5.216 -0.703 368 H LYS 45 HN LYS 45 -13.785 -6.517 -2.895 369 HA LYS 45 HA LYS 45 -15.876 -6.230 -4.887 370 HB2 LYS 45 HB2 LYS 45 -13.886 -8.526 -4.936 371 HB3 LYS 45 HB1 LYS 45 -15.304 -8.401 -5.965 372 HG2 LYS 45 HG2 LYS 45 -12.944 -6.525 -6.031 373 HG3 LYS 45 HG1 LYS 45 -13.141 -7.921 -7.086 374 HD2 LYS 45 HD2 LYS 45 -14.980 -5.538 -6.944 375 HD3 LYS 45 HD1 LYS 45 -13.785 -5.845 -8.200 376 HE2 LYS 45 HE2 LYS 45 -15.025 -8.042 -8.592 377 HE3 LYS 45 HE1 LYS 45 -16.319 -7.347 -7.618 378 HZ1 LYS 45 HZ1 LYS 45 -16.261 -5.416 -9.200 379 HZ2 LYS 45 HZ2 LYS 45 -16.819 -6.875 -9.855 380 HZ3 LYS 45 HZ3 LYS 45 -15.252 -6.349 -10.192 381 H THR 46 HN THR 46 -17.473 -6.546 -3.398 382 HA THR 46 HA THR 46 -17.821 -9.193 -2.343 383 HB THR 46 HB THR 46 -16.395 -8.412 -0.590 384 HG1 THR 46 HG1 THR 46 -17.999 -8.443 1.183 385 HG21 THR 46 HG21 THR 46 -16.925 -6.454 0.785 386 HG22 THR 46 HG22 THR 46 -18.273 -6.072 -0.286 387 HG23 THR 46 HG23 THR 46 -16.618 -6.002 -0.891 388 H TYR 47 HN TYR 47 -19.944 -9.639 -1.970 389 HA TYR 47 HA TYR 47 -21.751 -7.362 -1.541 390 HB2 TYR 47 HB2 TYR 47 -21.925 -8.499 -3.869 391 HB3 TYR 47 HB1 TYR 47 -22.624 -9.858 -2.997 392 HD1 TYR 47 HD1 TYR 47 -23.050 -6.210 -3.573 393 HD2 TYR 47 HD2 TYR 47 -24.919 -9.885 -2.528 394 HE1 TYR 47 HE1 TYR 47 -25.248 -5.117 -3.692 395 HE2 TYR 47 HE2 TYR 47 -27.124 -8.802 -2.642 396 HH TYR 47 HH TYR 47 -28.090 -6.571 -2.497 397 H SER 48 HN SER 48 -20.822 -8.143 0.552 398 HA SER 48 HA SER 48 -22.720 -9.369 2.175 399 HB2 SER 48 HB2 SER 48 -20.524 -11.170 1.176 400 HB3 SER 48 HB1 SER 48 -21.167 -11.388 2.799 401 HG SER 48 HG SER 48 -22.786 -11.302 0.467 402 H ASN 49 HN ASN 49 -22.244 -8.812 4.278 403 HA ASN 49 HA ASN 49 -19.927 -7.192 4.721 404 HB2 ASN 49 HB2 ASN 49 -20.748 -6.873 6.971 405 HB3 ASN 49 HB1 ASN 49 -22.100 -6.765 5.854 406 HD21 ASN 49 HD21 ASN 49 -22.025 -7.357 8.710 407 HD22 ASN 49 HD22 ASN 49 -22.807 -8.889 8.899 408 H SER 50 HN SER 50 -20.535 -10.507 4.877 409 HA SER 50 HA SER 50 -18.383 -11.020 6.744 410 HB2 SER 50 HB2 SER 50 -20.144 -13.014 5.310 411 HB3 SER 50 HB1 SER 50 -19.090 -13.346 6.684 412 HG SER 50 HG SER 50 -20.420 -11.784 7.857 413 H ALA 51 HN ALA 51 -18.275 -10.048 3.870 414 HA ALA 51 HA ALA 51 -16.111 -11.849 3.014 415 HB1 ALA 51 HB1 ALA 51 -17.109 -10.897 0.633 416 HB2 ALA 51 HB2 ALA 51 -18.568 -11.317 1.560 417 HB3 ALA 51 HB3 ALA 51 -17.328 -12.540 1.273 418 H THR 52 HN THR 52 -14.496 -10.936 1.820 419 HA THR 52 HA THR 52 -14.963 -8.606 0.466 420 HB THR 52 HB THR 52 -12.787 -8.490 2.548 421 HG1 THR 52 HG1 THR 52 -15.032 -7.894 3.121 422 HG21 THR 52 HG21 THR 52 -12.491 -6.153 1.581 423 HG22 THR 52 HG22 THR 52 -13.351 -6.772 0.176 424 HG23 THR 52 HG23 THR 52 -11.832 -7.512 0.679 425 H LYS 53 HN LYS 53 -13.944 -8.768 -1.481 426 HA LYS 53 HA LYS 53 -11.358 -10.156 -1.452 427 HB2 LYS 53 HB2 LYS 53 -12.824 -11.396 -2.889 428 HB3 LYS 53 HB1 LYS 53 -13.413 -9.928 -3.652 429 HG2 LYS 53 HG2 LYS 53 -11.143 -9.564 -4.584 430 HG3 LYS 53 HG1 LYS 53 -10.668 -11.127 -3.919 431 HD2 LYS 53 HD2 LYS 53 -12.292 -12.257 -5.287 432 HD3 LYS 53 HD1 LYS 53 -12.932 -10.717 -5.865 433 HE2 LYS 53 HE2 LYS 53 -10.779 -10.218 -6.911 434 HE3 LYS 53 HE1 LYS 53 -10.141 -11.754 -6.331 435 HZ1 LYS 53 HZ1 LYS 53 -11.715 -12.920 -7.686 436 HZ2 LYS 53 HZ2 LYS 53 -10.868 -11.829 -8.658 437 HZ3 LYS 53 HZ3 LYS 53 -12.449 -11.478 -8.171 438 H ILE 54 HN ILE 54 -9.654 -8.950 -1.765 439 HA ILE 54 HA ILE 54 -10.114 -6.306 -2.954 440 HB ILE 54 HB ILE 54 -8.207 -5.604 -1.334 441 HG12 ILE 54 HG12 ILE 54 -8.701 -6.814 0.924 442 HG13 ILE 54 HG11 ILE 54 -9.223 -8.150 -0.095 443 HG21 ILE 54 HG21 ILE 54 -9.952 -4.958 0.216 444 HG22 ILE 54 HG22 ILE 54 -11.016 -6.169 -0.535 445 HG23 ILE 54 HG23 ILE 54 -10.416 -4.786 -1.489 446 HD11 ILE 54 HD11 ILE 54 -7.009 -8.214 -1.130 447 HD12 ILE 54 HD12 ILE 54 -6.929 -8.445 0.616 448 HD13 ILE 54 HD13 ILE 54 -6.490 -6.889 -0.089 449 H GLU 55 HN GLU 55 -8.334 -5.279 -3.875 450 HA GLU 55 HA GLU 55 -5.840 -6.653 -3.991 451 HB2 GLU 55 HB2 GLU 55 -5.944 -6.125 -6.542 452 HB3 GLU 55 HB1 GLU 55 -6.496 -7.656 -5.910 453 HG2 GLU 55 HG2 GLU 55 -8.779 -6.864 -5.998 454 HG3 GLU 55 HG1 GLU 55 -8.207 -5.310 -6.585 455 H VAL 56 HN VAL 56 -4.583 -5.172 -3.354 456 HA VAL 56 HA VAL 56 -5.078 -2.368 -4.053 457 HB VAL 56 HB VAL 56 -4.582 -2.100 -1.809 458 HG11 VAL 56 HG11 VAL 56 -3.260 -4.739 -1.868 459 HG12 VAL 56 HG12 VAL 56 -4.957 -4.439 -1.507 460 HG13 VAL 56 HG13 VAL 56 -3.705 -3.809 -0.442 461 HG21 VAL 56 HG21 VAL 56 -2.436 -1.324 -2.877 462 HG22 VAL 56 HG22 VAL 56 -1.762 -2.924 -2.584 463 HG23 VAL 56 HG23 VAL 56 -2.216 -1.902 -1.230 464 H THR 57 HN THR 57 -3.606 -1.266 -5.079 465 HA THR 57 HA THR 57 -0.907 -2.294 -5.286 466 HB THR 57 HB THR 57 -2.311 -1.390 -7.829 467 HG1 THR 57 HG1 THR 57 -2.397 -3.806 -6.569 468 HG21 THR 57 HG21 THR 57 0.332 -2.758 -7.330 469 HG22 THR 57 HG22 THR 57 0.096 -1.087 -7.841 470 HG23 THR 57 HG23 THR 57 -0.344 -2.411 -8.921 471 H ILE 58 HN ILE 58 0.046 -0.705 -4.418 472 HA ILE 58 HA ILE 58 -0.891 2.081 -4.772 473 HB ILE 58 HB ILE 58 0.218 0.455 -2.482 474 HG12 ILE 58 HG12 ILE 58 -2.174 2.287 -2.620 475 HG13 ILE 58 HG11 ILE 58 -2.232 0.552 -2.896 476 HG21 ILE 58 HG21 ILE 58 0.359 2.496 -1.103 477 HG22 ILE 58 HG22 ILE 58 0.020 3.474 -2.531 478 HG23 ILE 58 HG23 ILE 58 1.506 2.529 -2.442 479 HD11 ILE 58 HD11 ILE 58 -1.450 0.186 -0.603 480 HD12 ILE 58 HD12 ILE 58 -2.954 1.105 -0.654 481 HD13 ILE 58 HD13 ILE 58 -1.426 1.930 -0.345 482 HA PRO 59 HA PRO 59 3.457 2.073 -6.509 483 HB2 PRO 59 HB2 PRO 59 2.196 4.152 -8.210 484 HB3 PRO 59 HB1 PRO 59 3.156 2.737 -8.683 485 HG2 PRO 59 HG2 PRO 59 0.533 2.805 -9.110 486 HG3 PRO 59 HG1 PRO 59 1.319 1.308 -8.566 487 HD2 PRO 59 HD2 PRO 59 -0.173 3.344 -6.944 488 HD3 PRO 59 HD1 PRO 59 -0.349 1.578 -6.939 489 H LEU 60 HN LEU 60 4.382 3.117 -4.722 490 HA LEU 60 HA LEU 60 4.209 6.026 -4.591 491 HB2 LEU 60 HB2 LEU 60 5.631 3.885 -3.056 492 HB3 LEU 60 HB1 LEU 60 6.289 5.502 -3.034 493 HG LEU 60 HG LEU 60 4.154 6.337 -2.101 494 HD11 LEU 60 HD11 LEU 60 3.429 3.419 -1.963 495 HD12 LEU 60 HD12 LEU 60 2.669 4.627 -2.999 496 HD13 LEU 60 HD13 LEU 60 2.521 4.749 -1.245 497 HD21 LEU 60 HD21 LEU 60 5.994 5.772 -0.624 498 HD22 LEU 60 HD22 LEU 60 5.457 4.093 -0.570 499 HD23 LEU 60 HD23 LEU 60 4.451 5.364 0.127 500 H LYS 61 HN LYS 61 6.637 7.036 -4.507 501 HA LYS 61 HA LYS 61 7.885 6.770 -7.004 502 HB2 LYS 61 HB2 LYS 61 9.356 7.305 -4.461 503 HB3 LYS 61 HB1 LYS 61 9.717 7.942 -6.061 504 HG2 LYS 61 HG2 LYS 61 7.635 9.314 -5.907 505 HG3 LYS 61 HG1 LYS 61 7.484 8.783 -4.228 506 HD2 LYS 61 HD2 LYS 61 9.826 10.271 -5.419 507 HD3 LYS 61 HD1 LYS 61 8.594 10.957 -4.362 508 HE2 LYS 61 HE2 LYS 61 9.299 9.563 -2.537 509 HE3 LYS 61 HE1 LYS 61 10.410 8.684 -3.584 510 HZ1 LYS 61 HZ1 LYS 61 11.703 10.691 -3.861 511 HZ2 LYS 61 HZ2 LYS 61 11.556 10.317 -2.220 512 HZ3 LYS 61 HZ3 LYS 61 10.625 11.563 -2.891 513 H ASN 62 HN ASN 62 8.548 5.489 -3.835 514 HA ASN 62 HA ASN 62 10.957 4.310 -4.517 515 HB2 ASN 62 HB2 ASN 62 10.465 5.112 -2.290 516 HB3 ASN 62 HB1 ASN 62 9.284 3.843 -2.166 517 HD21 ASN 62 HD21 ASN 62 12.508 3.661 -3.545 518 HD22 ASN 62 HD22 ASN 62 13.104 2.493 -2.420 519 H VAL 63 HN VAL 63 7.946 2.826 -3.436 520 HA VAL 63 HA VAL 63 8.460 0.502 -5.130 521 HB VAL 63 HB VAL 63 9.303 0.052 -2.863 522 HG11 VAL 63 HG11 VAL 63 7.866 1.471 -1.562 523 HG12 VAL 63 HG12 VAL 63 7.723 -0.192 -0.990 524 HG13 VAL 63 HG13 VAL 63 6.459 0.505 -2.003 525 HG21 VAL 63 HG21 VAL 63 8.120 -2.071 -2.482 526 HG22 VAL 63 HG22 VAL 63 8.493 -1.815 -4.187 527 HG23 VAL 63 HG23 VAL 63 6.854 -1.547 -3.593 528 H THR 64 HN THR 64 6.601 -0.742 -5.603 529 HA THR 64 HA THR 64 4.020 0.632 -5.225 530 HB THR 64 HB THR 64 4.858 -1.360 -7.349 531 HG1 THR 64 HG1 THR 64 5.801 0.743 -7.592 532 HG21 THR 64 HG21 THR 64 2.308 0.222 -7.017 533 HG22 THR 64 HG22 THR 64 2.487 -1.526 -6.864 534 HG23 THR 64 HG23 THR 64 2.725 -0.749 -8.428 535 H LEU 65 HN LEU 65 2.845 -0.376 -3.600 536 HA LEU 65 HA LEU 65 3.360 -3.222 -3.176 537 HB2 LEU 65 HB2 LEU 65 1.909 -1.221 -1.474 538 HB3 LEU 65 HB1 LEU 65 1.782 -2.945 -1.212 539 HG LEU 65 HG LEU 65 4.420 -2.831 -1.321 540 HD11 LEU 65 HD11 LEU 65 5.288 -0.887 -0.094 541 HD12 LEU 65 HD12 LEU 65 3.681 -0.148 -0.153 542 HD13 LEU 65 HD13 LEU 65 4.575 -0.423 -1.646 543 HD21 LEU 65 HD21 LEU 65 2.702 -2.277 1.079 544 HD22 LEU 65 HD22 LEU 65 4.393 -2.773 1.148 545 HD23 LEU 65 HD23 LEU 65 3.188 -3.848 0.443 546 H ARG 66 HN ARG 66 2.117 -4.747 -3.656 547 HA ARG 66 HA ARG 66 -0.658 -4.100 -4.369 548 HB2 ARG 66 HB2 ARG 66 0.445 -4.581 -6.290 549 HB3 ARG 66 HB1 ARG 66 1.290 -5.968 -5.663 550 HG2 ARG 66 HG2 ARG 66 -0.620 -7.304 -5.791 551 HG3 ARG 66 HG1 ARG 66 -1.699 -5.906 -5.891 552 HD2 ARG 66 HD2 ARG 66 -1.487 -6.984 -8.064 553 HD3 ARG 66 HD1 ARG 66 -0.794 -5.360 -8.074 554 HE ARG 66 HE ARG 66 1.022 -7.604 -7.625 555 HH11 ARG 66 HH11 ARG 66 -0.229 -5.203 -9.854 556 HH12 ARG 66 HH12 ARG 66 1.130 -5.318 -10.926 557 HH21 ARG 66 HH21 ARG 66 2.794 -7.759 -9.045 558 HH22 ARG 66 HH22 ARG 66 2.839 -6.769 -10.471 559 H ALA 67 HN ALA 67 -2.144 -5.224 -3.405 560 HA ALA 67 HA ALA 67 -1.444 -7.842 -2.202 561 HB1 ALA 67 HB1 ALA 67 -3.333 -6.331 -0.543 562 HB2 ALA 67 HB2 ALA 67 -1.693 -5.702 -0.557 563 HB3 ALA 67 HB3 ALA 67 -1.989 -7.377 -0.080 564 H GLU 68 HN GLU 68 -2.678 -9.296 -3.053 565 HA GLU 68 HA GLU 68 -5.457 -8.600 -3.733 566 HB2 GLU 68 HB2 GLU 68 -5.110 -10.338 -5.610 567 HB3 GLU 68 HB1 GLU 68 -4.394 -8.744 -5.816 568 HG2 GLU 68 HG2 GLU 68 -2.246 -9.659 -4.978 569 HG3 GLU 68 HG1 GLU 68 -2.984 -11.257 -4.949 570 H GLU 69 HN GLU 69 -6.754 -9.648 -2.358 571 HA GLU 69 HA GLU 69 -6.435 -12.482 -1.911 572 HB2 GLU 69 HB2 GLU 69 -4.794 -11.561 -0.319 573 HB3 GLU 69 HB1 GLU 69 -6.050 -10.565 0.401 574 HG2 GLU 69 HG2 GLU 69 -7.230 -12.554 1.144 575 HG3 GLU 69 HG1 GLU 69 -6.019 -13.576 0.377 576 H ARG 70 HN ARG 70 -8.260 -13.452 -1.057 577 HA ARG 70 HA ARG 70 -10.597 -11.743 -0.629 578 HB2 ARG 70 HB2 ARG 70 -10.405 -14.762 -0.790 579 HB3 ARG 70 HB1 ARG 70 -11.893 -13.831 -0.687 580 HG2 ARG 70 HG2 ARG 70 -11.365 -12.789 -2.850 581 HG3 ARG 70 HG1 ARG 70 -9.915 -13.784 -2.956 582 HD2 ARG 70 HD2 ARG 70 -11.669 -14.783 -4.267 583 HD3 ARG 70 HD1 ARG 70 -11.333 -15.801 -2.868 584 HE ARG 70 HE ARG 70 -13.358 -14.521 -1.885 585 HH11 ARG 70 HH11 ARG 70 -12.995 -15.528 -5.227 586 HH12 ARG 70 HH12 ARG 70 -14.702 -15.690 -5.490 587 HH21 ARG 70 HH21 ARG 70 -15.602 -14.737 -2.244 588 HH22 ARG 70 HH22 ARG 70 -16.176 -15.244 -3.801 589 H ASN 71 HN ASN 71 -10.925 -11.076 1.375 590 HA ASN 71 HA ASN 71 -10.432 -12.834 3.643 591 HB2 ASN 71 HB2 ASN 71 -8.273 -11.610 3.135 592 HB3 ASN 71 HB1 ASN 71 -9.093 -10.118 3.489 593 HD21 ASN 71 HD21 ASN 71 -6.869 -10.927 4.590 594 HD22 ASN 71 HD22 ASN 71 -7.185 -11.125 6.243 595 H ASP 72 HN ASP 72 -11.752 -12.339 5.375 596 HA ASP 72 HA ASP 72 -14.243 -11.365 4.874 597 HB2 ASP 72 HB2 ASP 72 -12.869 -11.222 7.566 598 HB3 ASP 72 HB1 ASP 72 -14.605 -11.215 7.288 599 H ASP 73 HN ASP 73 -11.633 -9.533 6.412 600 HA ASP 73 HA ASP 73 -13.178 -7.042 6.073 601 HB2 ASP 73 HB2 ASP 73 -10.899 -7.832 7.885 602 HB3 ASP 73 HB1 ASP 73 -11.315 -6.152 7.598 603 H LEU 74 HN LEU 74 -12.945 -6.307 4.317 604 HA LEU 74 HA LEU 74 -11.067 -5.704 2.582 605 HB2 LEU 74 HB2 LEU 74 -13.204 -4.659 2.579 606 HB3 LEU 74 HB1 LEU 74 -12.918 -4.067 4.218 607 HG LEU 74 HG LEU 74 -11.523 -2.308 3.446 608 HD11 LEU 74 HD11 LEU 74 -11.004 -2.041 1.011 609 HD12 LEU 74 HD12 LEU 74 -11.555 -3.705 0.788 610 HD13 LEU 74 HD13 LEU 74 -10.169 -3.361 1.831 611 HD21 LEU 74 HD21 LEU 74 -13.906 -1.902 3.175 612 HD22 LEU 74 HD22 LEU 74 -13.849 -2.579 1.547 613 HD23 LEU 74 HD23 LEU 74 -12.984 -1.086 1.912 614 H TYR 75 HN TYR 75 -11.384 -4.301 5.768 615 HA TYR 75 HA TYR 75 -9.387 -2.413 5.251 616 HB2 TYR 75 HB2 TYR 75 -10.907 -3.081 7.771 617 HB3 TYR 75 HB1 TYR 75 -9.696 -1.809 7.685 618 HD1 TYR 75 HD1 TYR 75 -10.151 -0.790 5.075 619 HD2 TYR 75 HD2 TYR 75 -12.751 -2.082 8.106 620 HE1 TYR 75 HE1 TYR 75 -11.804 0.683 4.254 621 HE2 TYR 75 HE2 TYR 75 -14.423 -0.617 7.317 622 HH TYR 75 HH TYR 75 -14.337 0.912 4.290 623 H ALA 76 HN ALA 76 -9.495 -5.588 6.274 624 HA ALA 76 HA ALA 76 -6.991 -5.690 7.717 625 HB1 ALA 76 HB1 ALA 76 -7.414 -8.056 7.838 626 HB2 ALA 76 HB2 ALA 76 -8.680 -7.921 6.613 627 HB3 ALA 76 HB3 ALA 76 -8.915 -7.201 8.211 628 H GLY 77 HN GLY 77 -8.347 -6.297 4.554 629 HA2 GLY 77 HA2 GLY 77 -6.033 -7.509 3.421 630 HA3 GLY 77 HA1 GLY 77 -7.384 -6.771 2.563 631 H ILE 78 HN ILE 78 -7.374 -4.220 3.234 632 HA ILE 78 HA ILE 78 -5.154 -3.118 2.003 633 HB ILE 78 HB ILE 78 -7.392 -1.886 3.620 634 HG12 ILE 78 HG12 ILE 78 -6.718 -1.913 0.671 635 HG13 ILE 78 HG11 ILE 78 -7.998 -2.833 1.454 636 HG21 ILE 78 HG21 ILE 78 -6.646 0.316 2.827 637 HG22 ILE 78 HG22 ILE 78 -5.199 -0.425 2.143 638 HG23 ILE 78 HG23 ILE 78 -5.454 -0.434 3.888 639 HD11 ILE 78 HD11 ILE 78 -9.131 -0.752 2.038 640 HD12 ILE 78 HD12 ILE 78 -8.888 -0.902 0.297 641 HD13 ILE 78 HD13 ILE 78 -7.850 0.164 1.244 642 H ASP 79 HN ASP 79 -5.935 -3.641 5.469 643 HA ASP 79 HA ASP 79 -3.560 -2.383 6.558 644 HB2 ASP 79 HB2 ASP 79 -5.483 -2.996 7.985 645 HB3 ASP 79 HB1 ASP 79 -5.186 -4.697 7.645 646 H LEU 80 HN LEU 80 -4.226 -5.646 5.379 647 HA LEU 80 HA LEU 80 -1.732 -6.704 5.932 648 HB2 LEU 80 HB2 LEU 80 -3.699 -7.860 4.800 649 HB3 LEU 80 HB1 LEU 80 -3.200 -7.079 3.320 650 HG LEU 80 HG LEU 80 -1.005 -8.240 3.494 651 HD11 LEU 80 HD11 LEU 80 -0.953 -8.634 5.883 652 HD12 LEU 80 HD12 LEU 80 -0.834 -10.164 5.015 653 HD13 LEU 80 HD13 LEU 80 -2.359 -9.691 5.763 654 HD21 LEU 80 HD21 LEU 80 -3.462 -9.985 3.425 655 HD22 LEU 80 HD22 LEU 80 -1.868 -10.443 2.826 656 HD23 LEU 80 HD23 LEU 80 -2.749 -9.120 2.063 657 H ILE 81 HN ILE 81 -2.811 -4.962 3.032 658 HA ILE 81 HA ILE 81 -0.166 -4.657 2.086 659 HB ILE 81 HB ILE 81 -2.480 -4.386 0.850 660 HG12 ILE 81 HG12 ILE 81 -1.201 -3.704 -1.005 661 HG13 ILE 81 HG11 ILE 81 -0.203 -2.624 -0.044 662 HG21 ILE 81 HG21 ILE 81 -3.076 -2.130 0.376 663 HG22 ILE 81 HG22 ILE 81 -1.688 -1.511 1.269 664 HG23 ILE 81 HG23 ILE 81 -3.011 -2.299 2.129 665 HD11 ILE 81 HD11 ILE 81 -0.055 -5.599 0.296 666 HD12 ILE 81 HD12 ILE 81 1.134 -4.369 0.726 667 HD13 ILE 81 HD13 ILE 81 0.845 -4.764 -0.967 668 H ASN 82 HN ASN 82 -2.040 -2.584 4.236 669 HA ASN 82 HA ASN 82 -0.362 -0.278 3.847 670 HB2 ASN 82 HB2 ASN 82 -2.713 -0.055 4.558 671 HB3 ASN 82 HB1 ASN 82 -2.348 -0.923 6.040 672 HD21 ASN 82 HD21 ASN 82 -3.012 0.779 7.327 673 HD22 ASN 82 HD22 ASN 82 -2.077 2.226 7.497 674 H ASN 83 HN ASN 83 -0.599 -2.888 6.106 675 HA ASN 83 HA ASN 83 1.300 -1.765 7.949 676 HB2 ASN 83 HB2 ASN 83 0.234 -3.206 9.313 677 HB3 ASN 83 HB1 ASN 83 -0.810 -3.609 7.914 678 HD21 ASN 83 HD21 ASN 83 -0.531 -5.558 6.925 679 HD22 ASN 83 HD22 ASN 83 0.501 -6.815 7.518 680 H LYS 84 HN LYS 84 1.133 -4.320 5.524 681 HA LYS 84 HA LYS 84 3.919 -4.931 5.540 682 HB2 LYS 84 HB2 LYS 84 2.189 -6.387 4.490 683 HB3 LYS 84 HB1 LYS 84 1.968 -5.174 3.238 684 HG2 LYS 84 HG2 LYS 84 4.329 -5.472 2.579 685 HG3 LYS 84 HG1 LYS 84 4.472 -6.756 3.780 686 HD2 LYS 84 HD2 LYS 84 2.587 -6.737 1.423 687 HD3 LYS 84 HD1 LYS 84 4.080 -7.668 1.543 688 HE2 LYS 84 HE2 LYS 84 3.139 -8.847 3.503 689 HE3 LYS 84 HE1 LYS 84 1.631 -7.963 3.280 690 HZ1 LYS 84 HZ1 LYS 84 1.504 -10.149 2.291 691 HZ2 LYS 84 HZ2 LYS 84 2.855 -9.835 1.328 692 HZ3 LYS 84 HZ3 LYS 84 1.426 -8.969 1.083 693 H LEU 85 HN LEU 85 2.008 -2.361 4.194 694 HA LEU 85 HA LEU 85 3.857 -1.330 2.355 695 HB2 LEU 85 HB2 LEU 85 1.519 -0.544 2.499 696 HB3 LEU 85 HB1 LEU 85 1.861 0.175 4.058 697 HG LEU 85 HG LEU 85 3.495 1.089 1.740 698 HD11 LEU 85 HD11 LEU 85 1.222 1.023 0.833 699 HD12 LEU 85 HD12 LEU 85 1.769 2.681 1.079 700 HD13 LEU 85 HD13 LEU 85 0.642 1.947 2.220 701 HD21 LEU 85 HD21 LEU 85 3.918 1.966 3.979 702 HD22 LEU 85 HD22 LEU 85 2.235 2.479 4.108 703 HD23 LEU 85 HD23 LEU 85 3.297 3.233 2.919 704 H GLU 86 HN GLU 86 3.234 -0.403 5.737 705 HA GLU 86 HA GLU 86 5.480 1.162 6.128 706 HB2 GLU 86 HB2 GLU 86 3.884 0.972 7.874 707 HB3 GLU 86 HB1 GLU 86 4.039 -0.775 7.927 708 HG2 GLU 86 HG2 GLU 86 5.077 0.259 9.859 709 HG3 GLU 86 HG1 GLU 86 6.281 -0.552 8.862 710 H ARG 87 HN ARG 87 5.163 -2.373 6.488 711 HA ARG 87 HA ARG 87 7.798 -2.943 7.157 712 HB2 ARG 87 HB2 ARG 87 6.082 -4.534 7.444 713 HB3 ARG 87 HB1 ARG 87 5.828 -4.551 5.731 714 HG2 ARG 87 HG2 ARG 87 8.039 -5.548 5.391 715 HG3 ARG 87 HG1 ARG 87 8.255 -5.572 7.145 716 HD2 ARG 87 HD2 ARG 87 6.309 -7.023 7.370 717 HD3 ARG 87 HD1 ARG 87 6.062 -6.980 5.627 718 HE ARG 87 HE ARG 87 8.654 -7.913 6.127 719 HH11 ARG 87 HH11 ARG 87 5.325 -8.903 6.550 720 HH12 ARG 87 HH12 ARG 87 5.682 -10.600 6.504 721 HH21 ARG 87 HH21 ARG 87 9.136 -10.155 6.045 722 HH22 ARG 87 HH22 ARG 87 7.855 -11.312 6.215 723 H GLN 88 HN GLN 88 6.412 -2.553 3.939 724 HA GLN 88 HA GLN 88 8.774 -3.805 2.731 725 HB2 GLN 88 HB2 GLN 88 6.020 -3.716 2.061 726 HB3 GLN 88 HB1 GLN 88 6.869 -2.810 0.821 727 HG2 GLN 88 HG2 GLN 88 7.542 -5.622 1.665 728 HG3 GLN 88 HG1 GLN 88 6.564 -5.196 0.264 729 HE21 GLN 88 HE21 GLN 88 8.176 -2.900 -0.450 730 HE22 GLN 88 HE22 GLN 88 9.648 -3.516 -1.106 731 H VAL 89 HN VAL 89 6.866 -0.901 2.720 732 HA VAL 89 HA VAL 89 8.373 0.720 1.141 733 HB VAL 89 HB VAL 89 6.607 1.164 3.465 734 HG11 VAL 89 HG11 VAL 89 8.400 2.798 3.871 735 HG12 VAL 89 HG12 VAL 89 6.930 3.615 3.338 736 HG13 VAL 89 HG13 VAL 89 8.265 3.378 2.211 737 HG21 VAL 89 HG21 VAL 89 5.668 0.868 1.248 738 HG22 VAL 89 HG22 VAL 89 6.634 2.207 0.628 739 HG23 VAL 89 HG23 VAL 89 5.368 2.509 1.817 740 H ARG 90 HN ARG 90 8.723 0.162 4.607 741 HA ARG 90 HA ARG 90 11.113 1.739 4.747 742 HB2 ARG 90 HB2 ARG 90 11.509 0.909 6.955 743 HB3 ARG 90 HB1 ARG 90 9.800 1.319 6.789 744 HG2 ARG 90 HG2 ARG 90 9.363 -1.121 6.401 745 HG3 ARG 90 HG1 ARG 90 11.051 -1.416 6.823 746 HD2 ARG 90 HD2 ARG 90 9.045 -0.039 8.599 747 HD3 ARG 90 HD1 ARG 90 9.488 -1.740 8.716 748 HE ARG 90 HE ARG 90 11.834 -0.824 9.100 749 HH11 ARG 90 HH11 ARG 90 8.937 0.921 10.011 750 HH12 ARG 90 HH12 ARG 90 9.669 1.647 11.412 751 HH21 ARG 90 HH21 ARG 90 12.805 0.151 10.922 752 HH22 ARG 90 HH22 ARG 90 11.876 1.224 11.919 753 H LYS 91 HN LYS 91 10.534 -1.730 4.299 754 HA LYS 91 HA LYS 91 13.163 -2.568 4.498 755 HB2 LYS 91 HB2 LYS 91 11.300 -4.081 4.395 756 HB3 LYS 91 HB1 LYS 91 11.117 -3.579 2.759 757 HG2 LYS 91 HG2 LYS 91 12.186 -5.717 2.782 758 HG3 LYS 91 HG1 LYS 91 13.305 -4.492 2.182 759 HD2 LYS 91 HD2 LYS 91 14.286 -4.335 4.449 760 HD3 LYS 91 HD1 LYS 91 13.212 -5.633 4.975 761 HE2 LYS 91 HE2 LYS 91 15.330 -5.815 2.835 762 HE3 LYS 91 HE1 LYS 91 15.416 -6.511 4.452 763 HZ1 LYS 91 HZ1 LYS 91 13.457 -7.258 2.349 764 HZ2 LYS 91 HZ2 LYS 91 13.534 -7.923 3.897 765 HZ3 LYS 91 HZ3 LYS 91 14.806 -8.167 2.811 766 H TYR 92 HN TYR 92 11.330 -1.399 1.810 767 HA TYR 92 HA TYR 92 13.386 -1.786 -0.119 768 HB2 TYR 92 HB2 TYR 92 10.801 -1.563 -0.424 769 HB3 TYR 92 HB1 TYR 92 11.140 0.161 -0.505 770 HD1 TYR 92 HD1 TYR 92 10.667 -2.684 -2.422 771 HD2 TYR 92 HD2 TYR 92 13.200 0.722 -2.175 772 HE1 TYR 92 HE1 TYR 92 11.207 -2.919 -4.807 773 HE2 TYR 92 HE2 TYR 92 13.744 0.498 -4.560 774 HH TYR 92 HH TYR 92 13.768 -1.330 -6.277 775 H LYS 93 HN LYS 93 12.066 1.210 1.376 776 HA LYS 93 HA LYS 93 13.889 2.882 0.008 777 HB2 LYS 93 HB2 LYS 93 13.129 4.677 1.442 778 HB3 LYS 93 HB1 LYS 93 11.756 3.714 0.923 779 HG2 LYS 93 HG2 LYS 93 11.688 2.609 3.077 780 HG3 LYS 93 HG1 LYS 93 13.107 3.511 3.604 781 HD2 LYS 93 HD2 LYS 93 11.826 5.612 3.277 782 HD3 LYS 93 HD1 LYS 93 10.405 4.643 2.882 783 HE2 LYS 93 HE2 LYS 93 10.482 3.616 5.094 784 HE3 LYS 93 HE1 LYS 93 11.922 4.554 5.488 785 HZ1 LYS 93 HZ1 LYS 93 10.590 6.578 5.197 786 HZ2 LYS 93 HZ2 LYS 93 9.995 5.587 6.431 787 HZ3 LYS 93 HZ3 LYS 93 9.213 5.630 4.935 788 H THR 94 HN THR 94 13.954 1.413 3.226 789 HA THR 94 HA THR 94 16.326 2.780 3.995 790 HB THR 94 HB THR 94 14.820 0.446 5.181 791 HG1 THR 94 HG1 THR 94 15.066 3.198 5.620 792 HG21 THR 94 HG21 THR 94 17.198 0.072 5.666 793 HG22 THR 94 HG22 THR 94 16.330 0.571 7.117 794 HG23 THR 94 HG23 THR 94 17.345 1.727 6.255 795 H ARG 95 HN ARG 95 15.682 -0.377 2.479 796 HA ARG 95 HA ARG 95 18.394 -1.239 2.574 797 HB2 ARG 95 HB2 ARG 95 16.418 -2.725 2.149 798 HB3 ARG 95 HB1 ARG 95 16.288 -2.018 0.549 799 HG2 ARG 95 HG2 ARG 95 18.832 -3.324 1.427 800 HG3 ARG 95 HG1 ARG 95 17.477 -4.288 0.846 801 HD2 ARG 95 HD2 ARG 95 18.882 -2.086 -0.663 802 HD3 ARG 95 HD1 ARG 95 19.045 -3.817 -0.955 803 HE ARG 95 HE ARG 95 16.341 -3.205 -1.165 804 HH11 ARG 95 HH11 ARG 95 19.331 -2.450 -2.814 805 HH12 ARG 95 HH12 ARG 95 18.573 -2.183 -4.352 806 HH21 ARG 95 HH21 ARG 95 15.327 -2.864 -3.188 807 HH22 ARG 95 HH22 ARG 95 16.282 -2.406 -4.561 808 H ILE 96 HN ILE 96 16.476 0.436 0.070 809 HA ILE 96 HA ILE 96 18.645 0.541 -1.774 810 HB ILE 96 HB ILE 96 16.193 0.724 -2.391 811 HG12 ILE 96 HG12 ILE 96 16.606 2.335 -4.239 812 HG13 ILE 96 HG11 ILE 96 18.092 2.835 -3.440 813 HG21 ILE 96 HG21 ILE 96 15.147 2.906 -2.347 814 HG22 ILE 96 HG22 ILE 96 16.570 3.597 -1.567 815 HG23 ILE 96 HG23 ILE 96 15.587 2.410 -0.712 816 HD11 ILE 96 HD11 ILE 96 18.484 1.265 -5.277 817 HD12 ILE 96 HD12 ILE 96 17.514 0.056 -4.435 818 HD13 ILE 96 HD13 ILE 96 19.024 0.626 -3.726 819 H ASN 97 HN ASN 97 17.700 2.501 0.923 820 HA ASN 97 HA ASN 97 19.379 4.723 0.240 821 HB2 ASN 97 HB2 ASN 97 17.504 4.971 1.823 822 HB3 ASN 97 HB1 ASN 97 18.300 3.867 2.937 823 HD21 ASN 97 HD21 ASN 97 19.859 6.379 1.021 824 HD22 ASN 97 HD22 ASN 97 20.370 7.333 2.368 825 H ARG 98 HN ARG 98 19.690 1.861 2.294 826 HA ARG 98 HA ARG 98 22.282 2.613 3.260 827 HB2 ARG 98 HB2 ARG 98 20.570 0.168 3.570 828 HB3 ARG 98 HB1 ARG 98 22.221 0.203 4.167 829 HG2 ARG 98 HG2 ARG 98 21.686 2.077 5.611 830 HG3 ARG 98 HG1 ARG 98 20.038 2.110 4.978 831 HD2 ARG 98 HD2 ARG 98 20.206 0.966 7.161 832 HD3 ARG 98 HD1 ARG 98 19.599 -0.083 5.883 833 HE ARG 98 HE ARG 98 22.360 -0.446 6.004 834 HH11 ARG 98 HH11 ARG 98 19.579 -0.945 8.087 835 HH12 ARG 98 HH12 ARG 98 20.272 -2.314 8.896 836 HH21 ARG 98 HH21 ARG 98 23.268 -2.263 7.060 837 HH22 ARG 98 HH22 ARG 98 22.364 -3.065 8.314 838 H LYS 99 HN LYS 99 21.381 1.327 0.309 839 HA LYS 99 HA LYS 99 23.267 -0.738 -0.010 840 HB2 LYS 99 HB2 LYS 99 22.913 -0.496 -2.433 841 HB3 LYS 99 HB1 LYS 99 21.404 -0.548 -1.542 842 HG2 LYS 99 HG2 LYS 99 21.039 1.090 -3.131 843 HG3 LYS 99 HG1 LYS 99 21.462 2.017 -1.694 844 HD2 LYS 99 HD2 LYS 99 23.718 2.326 -2.514 845 HD3 LYS 99 HD1 LYS 99 23.385 1.293 -3.905 846 HE2 LYS 99 HE2 LYS 99 21.957 3.883 -3.308 847 HE3 LYS 99 HE1 LYS 99 23.314 3.725 -4.421 848 HZ1 LYS 99 HZ1 LYS 99 21.976 2.158 -5.728 849 HZ2 LYS 99 HZ2 LYS 99 21.250 3.680 -5.626 850 HZ3 LYS 99 HZ3 LYS 99 20.667 2.407 -4.686 851 H SER 100 HN SER 100 23.691 2.634 0.122 852 HA SER 100 HA SER 100 26.124 2.745 -1.379 853 HB2 SER 100 HB2 SER 100 26.279 5.015 -0.131 854 HB3 SER 100 HB1 SER 100 24.966 4.784 -1.287 855 HG SER 100 HG SER 100 24.726 5.466 1.212 856 H ARG 101 HN ARG 101 25.265 2.563 2.042 857 HA ARG 101 HA ARG 101 28.061 2.548 2.822 858 HB2 ARG 101 HB2 ARG 101 26.832 2.138 5.153 859 HB3 ARG 101 HB1 ARG 101 27.000 3.734 4.439 860 HG2 ARG 101 HG2 ARG 101 24.773 3.806 3.770 861 HG3 ARG 101 HG1 ARG 101 24.580 2.057 3.902 862 HD2 ARG 101 HD2 ARG 101 25.145 3.809 6.279 863 HD3 ARG 101 HD1 ARG 101 23.506 3.459 5.725 864 HE ARG 101 HE ARG 101 24.443 0.997 5.945 865 HH11 ARG 101 HH11 ARG 101 24.807 3.698 8.155 866 HH12 ARG 101 HH12 ARG 101 24.937 2.686 9.558 867 HH21 ARG 101 HH21 ARG 101 24.616 -0.315 7.775 868 HH22 ARG 101 HH22 ARG 101 24.814 0.401 9.345 869 H ASP 102 HN ASP 102 25.287 0.326 2.935 870 HA ASP 102 HA ASP 102 26.962 -1.789 4.017 871 HB2 ASP 102 HB2 ASP 102 24.048 -1.784 3.190 872 HB3 ASP 102 HB1 ASP 102 24.878 -3.161 3.905 873 H ARG 103 HN ARG 103 28.441 -2.268 2.465 874 HA ARG 103 HA ARG 103 27.689 -2.585 -0.295 875 HB2 ARG 103 HB2 ARG 103 30.293 -3.225 1.095 876 HB3 ARG 103 HB1 ARG 103 30.045 -3.179 -0.642 877 HG2 ARG 103 HG2 ARG 103 29.577 -0.799 -0.534 878 HG3 ARG 103 HG1 ARG 103 29.773 -0.831 1.221 879 HD2 ARG 103 HD2 ARG 103 32.097 -1.640 0.890 880 HD3 ARG 103 HD1 ARG 103 31.879 -1.448 -0.847 881 HE ARG 103 HE ARG 103 31.257 0.982 0.388 882 HH11 ARG 103 HH11 ARG 103 34.021 -1.079 -0.202 883 HH12 ARG 103 HH12 ARG 103 35.165 0.223 -0.148 884 HH21 ARG 103 HH21 ARG 103 32.752 2.702 0.458 885 HH22 ARG 103 HH22 ARG 103 34.441 2.380 0.220 886 H GLY 104 HN GLY 104 28.239 -4.680 2.447 887 HA2 GLY 104 HA2 GLY 104 28.293 -7.008 0.647 888 HA3 GLY 104 HA1 GLY 104 28.995 -6.964 2.250 889 H ASP 105 HN ASP 105 25.721 -5.908 1.301 890 HA ASP 105 HA ASP 105 24.663 -7.872 3.187 891 HB2 ASP 105 HB2 ASP 105 23.729 -5.572 3.195 892 HB3 ASP 105 HB1 ASP 105 23.172 -5.813 1.541 893 H GLN 106 HN GLN 106 24.728 -7.164 -0.232 894 HA GLN 106 HA GLN 106 23.596 -9.827 -0.773 895 HB2 GLN 106 HB2 GLN 106 23.809 -7.433 -2.611 896 HB3 GLN 106 HB1 GLN 106 23.132 -8.994 -3.051 897 HG2 GLN 106 HG2 GLN 106 21.375 -8.694 -1.377 898 HG3 GLN 106 HG1 GLN 106 22.048 -7.122 -0.957 899 HE21 GLN 106 HE21 GLN 106 22.706 -6.532 -3.764 900 HE22 GLN 106 HE22 GLN 106 21.203 -6.136 -4.520 901 H GLU 107 HN GLU 107 26.423 -8.170 -0.514 902 HA GLU 107 HA GLU 107 27.768 -9.652 -2.664 903 HB2 GLU 107 HB2 GLU 107 27.941 -7.212 -2.834 904 HB3 GLU 107 HB1 GLU 107 28.601 -7.131 -1.212 905 HG2 GLU 107 HG2 GLU 107 30.280 -6.884 -3.006 906 HG3 GLU 107 HG1 GLU 107 30.610 -8.213 -1.898 907 H VAL 108 HN VAL 108 29.509 -10.935 -2.219 908 HA VAL 108 HA VAL 108 29.936 -11.554 0.622 909 HB VAL 108 HB VAL 108 30.820 -13.262 -1.703 910 HG11 VAL 108 HG11 VAL 108 30.720 -15.078 -0.061 911 HG12 VAL 108 HG12 VAL 108 30.223 -13.925 1.178 912 HG13 VAL 108 HG13 VAL 108 31.822 -13.798 0.446 913 HG21 VAL 108 HG21 VAL 108 28.174 -13.406 -0.266 914 HG22 VAL 108 HG22 VAL 108 28.766 -14.559 -1.462 915 HG23 VAL 108 HG23 VAL 108 28.421 -12.896 -1.936 916 H PHE 109 HN PHE 109 31.146 -9.725 -1.651 917 HA PHE 109 HA PHE 109 33.033 -8.525 -1.930 918 HB2 PHE 109 HB2 PHE 109 33.884 -9.895 0.623 919 HB3 PHE 109 HB1 PHE 109 34.825 -8.642 -0.179 920 HD1 PHE 109 HD1 PHE 109 33.645 -6.392 -0.589 921 HD2 PHE 109 HD2 PHE 109 32.263 -9.314 2.177 922 HE1 PHE 109 HE1 PHE 109 32.366 -4.658 0.597 923 HE2 PHE 109 HE2 PHE 109 30.981 -7.586 3.368 924 HZ PHE 109 HZ PHE 109 31.031 -5.254 2.577 925 H VAL 110 HN VAL 110 32.923 -10.258 -3.708 926 HA VAL 110 HA VAL 110 35.210 -12.050 -3.700 927 HB VAL 110 HB VAL 110 33.220 -11.472 -5.906 928 HG11 VAL 110 HG11 VAL 110 34.044 -13.575 -6.887 929 HG12 VAL 110 HG12 VAL 110 35.269 -13.667 -5.622 930 HG13 VAL 110 HG13 VAL 110 35.304 -12.345 -6.787 931 HG21 VAL 110 HG21 VAL 110 33.324 -13.727 -3.906 932 HG22 VAL 110 HG22 VAL 110 32.215 -13.627 -5.273 933 HG23 VAL 110 HG23 VAL 110 32.120 -12.440 -3.972 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -0.631 14.577 -7.954 2 H2 MET 1 HT2 MET 1 -0.274 16.097 -7.312 3 H3 MET 1 HT3 MET 1 -1.695 15.301 -6.858 4 HA MET 1 HA MET 1 1.062 14.406 -6.266 5 HB2 MET 1 HB2 MET 1 -1.093 15.473 -4.427 6 HB3 MET 1 HB1 MET 1 0.474 14.870 -3.919 7 HG2 MET 1 HG2 MET 1 1.530 16.685 -5.246 8 HG3 MET 1 HG1 MET 1 -0.081 17.331 -5.551 9 HE1 MET 1 HE1 MET 1 -1.253 18.158 -1.864 10 HE2 MET 1 HE2 MET 1 -1.471 16.622 -2.702 11 HE3 MET 1 HE3 MET 1 -1.727 18.138 -3.563 12 H ILE 2 HN ILE 2 0.145 13.176 -3.843 13 HA ILE 2 HA ILE 2 -0.410 10.591 -4.488 14 HB ILE 2 HB ILE 2 0.190 11.123 -2.251 15 HG12 ILE 2 HG12 ILE 2 -2.668 10.127 -2.296 16 HG13 ILE 2 HG11 ILE 2 -1.214 9.144 -2.420 17 HG21 ILE 2 HG21 ILE 2 -1.229 12.411 -0.726 18 HG22 ILE 2 HG22 ILE 2 -2.370 12.702 -2.038 19 HG23 ILE 2 HG23 ILE 2 -0.739 13.366 -2.127 20 HD11 ILE 2 HD11 ILE 2 -0.600 9.740 -0.150 21 HD12 ILE 2 HD12 ILE 2 -2.212 9.028 -0.201 22 HD13 ILE 2 HD13 ILE 2 -2.024 10.772 -0.024 23 H ARG 3 HN ARG 3 -2.062 9.612 -5.490 24 HA ARG 3 HA ARG 3 -4.765 10.539 -4.999 25 HB2 ARG 3 HB2 ARG 3 -5.016 9.713 -7.454 26 HB3 ARG 3 HB1 ARG 3 -4.527 11.350 -7.107 27 HG2 ARG 3 HG2 ARG 3 -2.183 10.662 -7.464 28 HG3 ARG 3 HG1 ARG 3 -2.755 9.046 -7.887 29 HD2 ARG 3 HD2 ARG 3 -3.373 11.622 -9.326 30 HD3 ARG 3 HD1 ARG 3 -2.349 10.306 -9.903 31 HE ARG 3 HE ARG 3 -4.846 9.207 -9.382 32 HH11 ARG 3 HH11 ARG 3 -3.519 11.659 -11.511 33 HH12 ARG 3 HH12 ARG 3 -4.694 11.386 -12.756 34 HH21 ARG 3 HH21 ARG 3 -6.379 8.846 -11.003 35 HH22 ARG 3 HH22 ARG 3 -6.323 9.774 -12.471 36 H PHE 4 HN PHE 4 -6.301 8.975 -4.922 37 HA PHE 4 HA PHE 4 -5.318 6.215 -4.867 38 HB2 PHE 4 HB2 PHE 4 -7.308 5.738 -3.442 39 HB3 PHE 4 HB1 PHE 4 -6.183 6.883 -2.727 40 HD1 PHE 4 HD1 PHE 4 -6.768 9.258 -2.555 41 HD2 PHE 4 HD2 PHE 4 -9.540 6.373 -4.004 42 HE1 PHE 4 HE1 PHE 4 -8.610 10.845 -2.181 43 HE2 PHE 4 HE2 PHE 4 -11.384 7.957 -3.639 44 HZ PHE 4 HZ PHE 4 -10.920 10.194 -2.727 45 H GLU 5 HN GLU 5 -6.009 4.830 -6.335 46 HA GLU 5 HA GLU 5 -8.299 5.604 -8.006 47 HB2 GLU 5 HB2 GLU 5 -5.994 3.855 -8.889 48 HB3 GLU 5 HB1 GLU 5 -7.234 4.578 -9.895 49 HG2 GLU 5 HG2 GLU 5 -5.051 6.061 -8.455 50 HG3 GLU 5 HG1 GLU 5 -5.084 5.681 -10.174 51 H ILE 6 HN ILE 6 -9.590 4.571 -6.547 52 HA ILE 6 HA ILE 6 -9.176 1.719 -6.099 53 HB ILE 6 HB ILE 6 -11.080 3.740 -4.942 54 HG12 ILE 6 HG12 ILE 6 -8.816 2.281 -3.586 55 HG13 ILE 6 HG11 ILE 6 -8.648 3.874 -4.312 56 HG21 ILE 6 HG21 ILE 6 -12.096 1.444 -5.022 57 HG22 ILE 6 HG22 ILE 6 -11.821 2.010 -3.374 58 HG23 ILE 6 HG23 ILE 6 -10.720 0.843 -4.096 59 HD11 ILE 6 HD11 ILE 6 -8.964 4.071 -1.940 60 HD12 ILE 6 HD12 ILE 6 -10.448 3.124 -2.023 61 HD13 ILE 6 HD13 ILE 6 -10.373 4.717 -2.779 62 H HIS 7 HN HIS 7 -10.377 0.258 -7.037 63 HA HIS 7 HA HIS 7 -12.975 1.023 -8.219 64 HB2 HIS 7 HB2 HIS 7 -11.018 -1.146 -8.918 65 HB3 HIS 7 HB1 HIS 7 -12.730 -1.314 -9.288 66 HD1 HIS 7 HD1 HIS 7 -13.504 -0.242 -11.433 67 HD2 HIS 7 HD2 HIS 7 -9.769 1.131 -10.231 68 HE1 HIS 7 HE1 HIS 7 -12.662 1.181 -13.328 69 HE2 HIS 7 HE2 HIS 7 -10.343 1.881 -12.634 70 H GLY 8 HN GLY 8 -14.108 0.810 -6.239 71 HA2 GLY 8 HA2 GLY 8 -13.740 -1.834 -5.104 72 HA3 GLY 8 HA1 GLY 8 -14.188 -0.454 -4.122 73 H ASP 9 HN ASP 9 -15.351 -3.228 -5.413 74 HA ASP 9 HA ASP 9 -18.085 -2.148 -5.620 75 HB2 ASP 9 HB2 ASP 9 -16.761 -4.378 -7.151 76 HB3 ASP 9 HB1 ASP 9 -18.514 -4.274 -7.012 77 H ASN 10 HN ASN 10 -18.937 -2.490 -3.691 78 HA ASN 10 HA ASN 10 -19.385 -5.181 -2.824 79 HB2 ASN 10 HB2 ASN 10 -18.451 -4.962 -0.569 80 HB3 ASN 10 HB1 ASN 10 -17.197 -4.851 -1.790 81 HD21 ASN 10 HD21 ASN 10 -17.576 -2.110 -2.482 82 HD22 ASN 10 HD22 ASN 10 -17.071 -1.165 -1.124 83 H LEU 11 HN LEU 11 -19.440 -1.864 -1.529 84 HA LEU 11 HA LEU 11 -22.347 -2.118 -1.224 85 HB2 LEU 11 HB2 LEU 11 -20.447 -0.995 0.843 86 HB3 LEU 11 HB1 LEU 11 -22.192 -0.863 0.918 87 HG LEU 11 HG LEU 11 -20.683 -3.480 0.963 88 HD11 LEU 11 HD11 LEU 11 -21.916 -1.915 3.227 89 HD12 LEU 11 HD12 LEU 11 -20.191 -2.157 2.951 90 HD13 LEU 11 HD13 LEU 11 -21.222 -3.531 3.346 91 HD21 LEU 11 HD21 LEU 11 -23.574 -2.817 1.522 92 HD22 LEU 11 HD22 LEU 11 -22.826 -4.405 1.696 93 HD23 LEU 11 HD23 LEU 11 -22.961 -3.663 0.101 94 H THR 12 HN THR 12 -19.893 0.320 -0.463 95 HA THR 12 HA THR 12 -20.242 1.794 -2.830 96 HB THR 12 HB THR 12 -22.395 2.440 -1.894 97 HG1 THR 12 HG1 THR 12 -20.801 4.034 -2.898 98 HG21 THR 12 HG21 THR 12 -21.930 2.090 0.482 99 HG22 THR 12 HG22 THR 12 -22.572 3.707 0.194 100 HG23 THR 12 HG23 THR 12 -20.846 3.481 0.482 101 H ILE 13 HN ILE 13 -18.296 2.640 -3.122 102 HA ILE 13 HA ILE 13 -16.584 3.205 -0.850 103 HB ILE 13 HB ILE 13 -16.022 3.729 -3.776 104 HG12 ILE 13 HG12 ILE 13 -16.489 1.350 -3.424 105 HG13 ILE 13 HG11 ILE 13 -14.780 1.604 -3.758 106 HG21 ILE 13 HG21 ILE 13 -13.668 3.703 -3.080 107 HG22 ILE 13 HG22 ILE 13 -14.173 3.490 -1.404 108 HG23 ILE 13 HG23 ILE 13 -14.579 4.974 -2.266 109 HD11 ILE 13 HD11 ILE 13 -14.295 1.404 -1.368 110 HD12 ILE 13 HD12 ILE 13 -15.090 -0.036 -2.004 111 HD13 ILE 13 HD13 ILE 13 -16.007 1.128 -1.050 112 H THR 14 HN THR 14 -18.131 4.770 -0.027 113 HA THR 14 HA THR 14 -18.419 7.251 -1.490 114 HB THR 14 HB THR 14 -20.344 6.367 -0.265 115 HG1 THR 14 HG1 THR 14 -20.468 8.544 -0.423 116 HG21 THR 14 HG21 THR 14 -18.685 6.804 2.212 117 HG22 THR 14 HG22 THR 14 -19.206 5.248 1.566 118 HG23 THR 14 HG23 THR 14 -20.398 6.387 2.192 119 H ASP 15 HN ASP 15 -18.383 9.148 0.426 120 HA ASP 15 HA ASP 15 -15.733 9.963 0.438 121 HB2 ASP 15 HB2 ASP 15 -17.450 11.593 0.736 122 HB3 ASP 15 HB1 ASP 15 -18.038 10.802 2.196 123 H ALA 16 HN ALA 16 -17.530 8.289 2.947 124 HA ALA 16 HA ALA 16 -15.918 8.358 5.132 125 HB1 ALA 16 HB1 ALA 16 -17.189 5.853 4.043 126 HB2 ALA 16 HB2 ALA 16 -18.064 7.118 4.920 127 HB3 ALA 16 HB3 ALA 16 -16.800 6.194 5.732 128 H ILE 17 HN ILE 17 -15.710 5.794 2.710 129 HA ILE 17 HA ILE 17 -13.342 4.670 3.788 130 HB ILE 17 HB ILE 17 -14.762 4.324 1.177 131 HG12 ILE 17 HG12 ILE 17 -14.977 1.938 2.379 132 HG13 ILE 17 HG11 ILE 17 -14.751 2.939 3.815 133 HG21 ILE 17 HG21 ILE 17 -12.392 2.755 2.194 134 HG22 ILE 17 HG22 ILE 17 -12.422 3.819 0.787 135 HG23 ILE 17 HG23 ILE 17 -13.363 2.327 0.784 136 HD11 ILE 17 HD11 ILE 17 -16.904 3.339 1.744 137 HD12 ILE 17 HD12 ILE 17 -16.703 4.236 3.247 138 HD13 ILE 17 HD13 ILE 17 -17.111 2.524 3.294 139 H ARG 18 HN ARG 18 -14.063 6.810 1.083 140 HA ARG 18 HA ARG 18 -11.544 6.769 -0.061 141 HB2 ARG 18 HB2 ARG 18 -13.517 9.066 0.016 142 HB3 ARG 18 HB1 ARG 18 -12.125 8.976 -1.055 143 HG2 ARG 18 HG2 ARG 18 -13.072 6.956 -2.082 144 HG3 ARG 18 HG1 ARG 18 -14.485 7.106 -1.039 145 HD2 ARG 18 HD2 ARG 18 -14.845 9.390 -2.026 146 HD3 ARG 18 HD1 ARG 18 -13.572 9.010 -3.187 147 HE ARG 18 HE ARG 18 -15.700 7.060 -3.053 148 HH11 ARG 18 HH11 ARG 18 -14.555 9.984 -4.609 149 HH12 ARG 18 HH12 ARG 18 -15.557 9.779 -6.009 150 HH21 ARG 18 HH21 ARG 18 -17.008 6.789 -4.884 151 HH22 ARG 18 HH22 ARG 18 -16.959 7.956 -6.166 152 H ASN 19 HN ASN 19 -12.979 8.821 2.401 153 HA ASN 19 HA ASN 19 -10.777 10.329 3.197 154 HB2 ASN 19 HB2 ASN 19 -13.337 10.183 4.038 155 HB3 ASN 19 HB1 ASN 19 -12.577 9.225 5.300 156 HD21 ASN 19 HD21 ASN 19 -11.150 10.189 6.733 157 HD22 ASN 19 HD22 ASN 19 -11.048 11.909 6.904 158 H TYR 20 HN TYR 20 -11.988 7.266 4.533 159 HA TYR 20 HA TYR 20 -10.085 6.632 6.387 160 HB2 TYR 20 HB2 TYR 20 -12.208 5.309 5.536 161 HB3 TYR 20 HB1 TYR 20 -11.042 4.490 4.508 162 HD1 TYR 20 HD1 TYR 20 -12.792 4.105 7.400 163 HD2 TYR 20 HD2 TYR 20 -8.784 3.837 6.002 164 HE1 TYR 20 HE1 TYR 20 -12.256 2.566 9.243 165 HE2 TYR 20 HE2 TYR 20 -8.238 2.301 7.839 166 HH TYR 20 HH TYR 20 -10.622 0.841 9.797 167 H ILE 21 HN ILE 21 -9.779 6.367 2.874 168 HA ILE 21 HA ILE 21 -7.409 4.694 3.063 169 HB ILE 21 HB ILE 21 -8.871 5.923 0.726 170 HG12 ILE 21 HG12 ILE 21 -10.164 4.151 1.809 171 HG13 ILE 21 HG11 ILE 21 -9.600 3.610 0.233 172 HG21 ILE 21 HG21 ILE 21 -6.518 5.639 0.189 173 HG22 ILE 21 HG22 ILE 21 -7.489 4.471 -0.706 174 HG23 ILE 21 HG23 ILE 21 -6.578 3.955 0.711 175 HD11 ILE 21 HD11 ILE 21 -8.413 2.875 2.901 176 HD12 ILE 21 HD12 ILE 21 -7.797 2.359 1.330 177 HD13 ILE 21 HD13 ILE 21 -9.397 1.841 1.864 178 H GLU 22 HN GLU 22 -8.546 7.900 2.555 179 HA GLU 22 HA GLU 22 -6.175 8.838 1.429 180 HB2 GLU 22 HB2 GLU 22 -8.256 10.047 1.054 181 HB3 GLU 22 HB1 GLU 22 -8.371 10.395 2.775 182 HG2 GLU 22 HG2 GLU 22 -6.404 11.774 2.675 183 HG3 GLU 22 HG1 GLU 22 -6.151 11.349 0.984 184 H GLU 23 HN GLU 23 -7.462 8.545 4.599 185 HA GLU 23 HA GLU 23 -5.416 9.970 5.978 186 HB2 GLU 23 HB2 GLU 23 -7.159 7.791 7.116 187 HB3 GLU 23 HB1 GLU 23 -6.451 9.165 7.958 188 HG2 GLU 23 HG2 GLU 23 -7.879 10.674 6.648 189 HG3 GLU 23 HG1 GLU 23 -8.625 9.263 5.868 190 H LYS 24 HN LYS 24 -6.094 6.549 5.324 191 HA LYS 24 HA LYS 24 -3.891 5.386 6.565 192 HB2 LYS 24 HB2 LYS 24 -5.830 4.215 5.480 193 HB3 LYS 24 HB1 LYS 24 -5.113 4.570 3.919 194 HG2 LYS 24 HG2 LYS 24 -4.466 2.388 4.320 195 HG3 LYS 24 HG1 LYS 24 -3.054 3.321 4.818 196 HD2 LYS 24 HD2 LYS 24 -3.397 1.705 6.507 197 HD3 LYS 24 HD1 LYS 24 -3.983 3.230 7.168 198 HE2 LYS 24 HE2 LYS 24 -6.279 2.587 6.630 199 HE3 LYS 24 HE1 LYS 24 -5.700 1.076 5.933 200 HZ1 LYS 24 HZ1 LYS 24 -6.556 0.875 8.232 201 HZ2 LYS 24 HZ2 LYS 24 -5.289 1.854 8.768 202 HZ3 LYS 24 HZ3 LYS 24 -4.958 0.346 8.065 203 H ILE 25 HN ILE 25 -4.128 5.939 3.072 204 HA ILE 25 HA ILE 25 -1.385 5.608 2.556 205 HB ILE 25 HB ILE 25 -3.321 7.145 0.821 206 HG12 ILE 25 HG12 ILE 25 -4.308 4.972 1.422 207 HG13 ILE 25 HG11 ILE 25 -3.855 5.019 -0.277 208 HG21 ILE 25 HG21 ILE 25 -1.903 6.378 -1.014 209 HG22 ILE 25 HG22 ILE 25 -0.860 5.539 0.134 210 HG23 ILE 25 HG23 ILE 25 -0.970 7.299 0.165 211 HD11 ILE 25 HD11 ILE 25 -2.366 3.648 1.944 212 HD12 ILE 25 HD12 ILE 25 -1.805 3.765 0.277 213 HD13 ILE 25 HD13 ILE 25 -3.287 2.886 0.650 214 H GLY 26 HN GLY 26 -3.329 8.400 3.376 215 HA2 GLY 26 HA2 GLY 26 -1.406 10.376 2.794 216 HA3 GLY 26 HA1 GLY 26 -2.730 10.531 3.936 217 H LYS 27 HN LYS 27 -1.845 8.292 5.672 218 HA LYS 27 HA LYS 27 0.020 9.930 7.146 219 HB2 LYS 27 HB2 LYS 27 -0.488 8.648 9.025 220 HB3 LYS 27 HB1 LYS 27 -2.000 8.611 8.132 221 HG2 LYS 27 HG2 LYS 27 -0.797 6.417 7.130 222 HG3 LYS 27 HG1 LYS 27 -0.116 6.445 8.758 223 HD2 LYS 27 HD2 LYS 27 -2.412 6.629 9.663 224 HD3 LYS 27 HD1 LYS 27 -3.029 6.474 8.013 225 HE2 LYS 27 HE2 LYS 27 -3.148 4.316 9.017 226 HE3 LYS 27 HE1 LYS 27 -1.816 4.284 7.866 227 HZ1 LYS 27 HZ1 LYS 27 -1.578 4.592 10.812 228 HZ2 LYS 27 HZ2 LYS 27 -0.281 4.635 9.730 229 HZ3 LYS 27 HZ3 LYS 27 -1.181 3.215 9.916 230 H LEU 28 HN LEU 28 -0.188 7.058 5.240 231 HA LEU 28 HA LEU 28 2.443 6.131 5.765 232 HB2 LEU 28 HB2 LEU 28 0.823 5.791 3.256 233 HB3 LEU 28 HB1 LEU 28 2.153 4.776 3.800 234 HG LEU 28 HG LEU 28 -0.410 5.173 5.322 235 HD11 LEU 28 HD11 LEU 28 -0.974 3.999 3.310 236 HD12 LEU 28 HD12 LEU 28 -0.883 2.802 4.595 237 HD13 LEU 28 HD13 LEU 28 0.438 2.960 3.439 238 HD21 LEU 28 HD21 LEU 28 0.370 3.185 6.568 239 HD22 LEU 28 HD22 LEU 28 1.452 4.566 6.730 240 HD23 LEU 28 HD23 LEU 28 1.881 3.232 5.662 241 H GLU 29 HN GLU 29 1.073 8.255 3.303 242 HA GLU 29 HA GLU 29 3.405 8.785 1.848 243 HB2 GLU 29 HB2 GLU 29 1.146 9.311 1.041 244 HB3 GLU 29 HB1 GLU 29 0.978 10.541 2.284 245 HG2 GLU 29 HG2 GLU 29 3.343 10.989 0.711 246 HG3 GLU 29 HG1 GLU 29 1.918 10.872 -0.314 247 H ARG 30 HN ARG 30 2.070 10.311 4.748 248 HA ARG 30 HA ARG 30 3.869 12.470 4.744 249 HB2 ARG 30 HB2 ARG 30 2.151 11.320 6.808 250 HB3 ARG 30 HB1 ARG 30 3.232 12.628 7.209 251 HG2 ARG 30 HG2 ARG 30 0.985 12.661 5.206 252 HG3 ARG 30 HG1 ARG 30 1.039 13.496 6.758 253 HD2 ARG 30 HD2 ARG 30 3.121 14.672 5.840 254 HD3 ARG 30 HD1 ARG 30 2.612 14.066 4.265 255 HE ARG 30 HE ARG 30 1.052 15.914 5.952 256 HH11 ARG 30 HH11 ARG 30 1.787 14.534 2.809 257 HH12 ARG 30 HH12 ARG 30 0.855 15.717 1.944 258 HH21 ARG 30 HH21 ARG 30 -0.166 17.461 4.809 259 HH22 ARG 30 HH22 ARG 30 -0.253 17.379 3.080 260 H TYR 31 HN TYR 31 4.597 9.271 5.324 261 HA TYR 31 HA TYR 31 6.706 9.748 7.222 262 HB2 TYR 31 HB2 TYR 31 6.170 7.441 5.344 263 HB3 TYR 31 HB1 TYR 31 7.548 7.496 6.436 264 HD1 TYR 31 HD1 TYR 31 6.604 8.388 8.935 265 HD2 TYR 31 HD2 TYR 31 4.575 5.959 6.093 266 HE1 TYR 31 HE1 TYR 31 5.245 7.423 10.740 267 HE2 TYR 31 HE2 TYR 31 3.206 4.991 7.890 268 HH TYR 31 HH TYR 31 3.031 6.314 10.986 269 H PHE 32 HN PHE 32 6.241 10.310 3.908 270 HA PHE 32 HA PHE 32 9.127 10.365 3.377 271 HB2 PHE 32 HB2 PHE 32 7.085 10.527 1.235 272 HB3 PHE 32 HB1 PHE 32 8.671 9.798 1.219 273 HD1 PHE 32 HD1 PHE 32 5.435 8.954 0.817 274 HD2 PHE 32 HD2 PHE 32 8.785 7.804 3.171 275 HE1 PHE 32 HE1 PHE 32 4.455 6.723 1.120 276 HE2 PHE 32 HE2 PHE 32 7.815 5.571 3.467 277 HZ PHE 32 HZ PHE 32 5.645 5.028 2.442 278 H ASN 33 HN ASN 33 9.858 12.129 2.025 279 HA ASN 33 HA ASN 33 7.879 14.251 1.743 280 HB2 ASN 33 HB2 ASN 33 9.609 15.945 1.971 281 HB3 ASN 33 HB1 ASN 33 9.688 14.867 3.360 282 HD21 ASN 33 HD21 ASN 33 11.431 13.426 3.543 283 HD22 ASN 33 HD22 ASN 33 12.884 13.636 2.627 284 H ASP 34 HN ASP 34 10.035 12.169 0.194 285 HA ASP 34 HA ASP 34 10.322 13.744 -2.120 286 HB2 ASP 34 HB2 ASP 34 11.255 10.951 -1.592 287 HB3 ASP 34 HB1 ASP 34 11.679 11.897 -3.009 288 H VAL 35 HN VAL 35 7.694 12.829 -1.318 289 HA VAL 35 HA VAL 35 7.037 11.062 -3.550 290 HB VAL 35 HB VAL 35 6.825 10.044 -1.369 291 HG11 VAL 35 HG11 VAL 35 5.170 10.736 0.251 292 HG12 VAL 35 HG12 VAL 35 4.737 12.111 -0.759 293 HG13 VAL 35 HG13 VAL 35 6.343 12.018 -0.038 294 HG21 VAL 35 HG21 VAL 35 4.521 9.205 -1.586 295 HG22 VAL 35 HG22 VAL 35 5.358 9.275 -3.136 296 HG23 VAL 35 HG23 VAL 35 4.172 10.512 -2.718 297 HA PRO 36 HA PRO 36 4.270 14.565 -4.574 298 HB2 PRO 36 HB2 PRO 36 4.951 14.795 -7.156 299 HB3 PRO 36 HB1 PRO 36 5.898 15.578 -5.886 300 HG2 PRO 36 HG2 PRO 36 6.452 13.045 -7.372 301 HG3 PRO 36 HG1 PRO 36 7.573 14.335 -6.906 302 HD2 PRO 36 HD2 PRO 36 7.268 11.968 -5.528 303 HD3 PRO 36 HD1 PRO 36 7.878 13.471 -4.812 304 H ASN 37 HN ASN 37 4.981 11.385 -5.570 305 HA ASN 37 HA ASN 37 2.341 11.091 -6.829 306 HB2 ASN 37 HB2 ASN 37 5.011 10.145 -7.822 307 HB3 ASN 37 HB1 ASN 37 3.563 9.224 -8.203 308 HD21 ASN 37 HD21 ASN 37 3.800 9.624 -10.385 309 HD22 ASN 37 HD22 ASN 37 3.428 11.162 -11.083 310 H ALA 38 HN ALA 38 1.184 9.884 -5.480 311 HA ALA 38 HA ALA 38 2.207 7.231 -4.813 312 HB1 ALA 38 HB1 ALA 38 2.660 8.623 -2.819 313 HB2 ALA 38 HB2 ALA 38 1.453 7.376 -2.500 314 HB3 ALA 38 HB3 ALA 38 0.948 9.046 -2.749 315 H VAL 39 HN VAL 39 0.699 5.830 -5.577 316 HA VAL 39 HA VAL 39 -2.051 6.767 -5.843 317 HB VAL 39 HB VAL 39 -0.193 5.120 -7.494 318 HG11 VAL 39 HG11 VAL 39 -1.892 3.936 -8.600 319 HG12 VAL 39 HG12 VAL 39 -3.159 4.811 -7.737 320 HG13 VAL 39 HG13 VAL 39 -2.110 3.680 -6.861 321 HG21 VAL 39 HG21 VAL 39 -1.113 6.341 -9.315 322 HG22 VAL 39 HG22 VAL 39 -0.730 7.478 -8.021 323 HG23 VAL 39 HG23 VAL 39 -2.403 6.987 -8.296 324 H ALA 40 HN ALA 40 -3.708 5.237 -5.370 325 HA ALA 40 HA ALA 40 -2.873 2.618 -4.254 326 HB1 ALA 40 HB1 ALA 40 -3.566 4.070 -2.394 327 HB2 ALA 40 HB2 ALA 40 -4.732 2.768 -2.644 328 HB3 ALA 40 HB3 ALA 40 -5.096 4.399 -3.207 329 H HIS 41 HN HIS 41 -3.266 1.735 -6.299 330 HA HIS 41 HA HIS 41 -5.934 1.845 -7.432 331 HB2 HIS 41 HB2 HIS 41 -3.846 1.601 -8.850 332 HB3 HIS 41 HB1 HIS 41 -3.648 -0.005 -8.170 333 HD1 HIS 41 HD1 HIS 41 -5.111 1.681 -10.987 334 HD2 HIS 41 HD2 HIS 41 -6.026 -1.714 -8.766 335 HE1 HIS 41 HE1 HIS 41 -6.655 0.319 -12.430 336 HE2 HIS 41 HE2 HIS 41 -7.062 -1.798 -11.132 337 H VAL 42 HN VAL 42 -7.320 0.964 -5.927 338 HA VAL 42 HA VAL 42 -6.619 -1.708 -4.882 339 HB VAL 42 HB VAL 42 -7.698 0.793 -3.697 340 HG11 VAL 42 HG11 VAL 42 -8.778 -0.408 -1.890 341 HG12 VAL 42 HG12 VAL 42 -8.464 -1.933 -2.721 342 HG13 VAL 42 HG13 VAL 42 -9.543 -0.739 -3.444 343 HG21 VAL 42 HG21 VAL 42 -6.361 -0.048 -1.795 344 HG22 VAL 42 HG22 VAL 42 -5.417 0.109 -3.289 345 HG23 VAL 42 HG23 VAL 42 -6.009 -1.486 -2.756 346 H LYS 43 HN LYS 43 -8.364 -3.105 -4.658 347 HA LYS 43 HA LYS 43 -10.894 -2.410 -5.944 348 HB2 LYS 43 HB2 LYS 43 -9.576 -2.931 -7.898 349 HB3 LYS 43 HB1 LYS 43 -8.971 -4.408 -7.170 350 HG2 LYS 43 HG2 LYS 43 -10.915 -5.561 -7.559 351 HG3 LYS 43 HG1 LYS 43 -11.907 -4.103 -7.562 352 HD2 LYS 43 HD2 LYS 43 -11.727 -5.050 -9.806 353 HD3 LYS 43 HD1 LYS 43 -10.975 -3.459 -9.725 354 HE2 LYS 43 HE2 LYS 43 -9.498 -4.789 -10.982 355 HE3 LYS 43 HE1 LYS 43 -8.775 -4.675 -9.379 356 HZ1 LYS 43 HZ1 LYS 43 -9.631 -6.870 -8.868 357 HZ2 LYS 43 HZ2 LYS 43 -8.681 -6.923 -10.262 358 HZ3 LYS 43 HZ3 LYS 43 -10.365 -6.971 -10.388 359 H VAL 44 HN VAL 44 -12.257 -3.066 -4.638 360 HA VAL 44 HA VAL 44 -11.907 -5.615 -3.213 361 HB VAL 44 HB VAL 44 -12.165 -3.378 -1.922 362 HG11 VAL 44 HG11 VAL 44 -14.962 -3.823 -2.874 363 HG12 VAL 44 HG12 VAL 44 -13.891 -2.492 -3.353 364 HG13 VAL 44 HG13 VAL 44 -14.464 -2.614 -1.679 365 HG21 VAL 44 HG21 VAL 44 -14.161 -5.570 -1.364 366 HG22 VAL 44 HG22 VAL 44 -13.518 -4.412 -0.198 367 HG23 VAL 44 HG23 VAL 44 -12.461 -5.625 -0.916 368 H LYS 45 HN LYS 45 -13.869 -6.841 -2.950 369 HA LYS 45 HA LYS 45 -16.178 -6.400 -4.579 370 HB2 LYS 45 HB2 LYS 45 -14.110 -8.423 -5.424 371 HB3 LYS 45 HB1 LYS 45 -15.800 -8.597 -5.863 372 HG2 LYS 45 HG2 LYS 45 -15.711 -6.437 -7.017 373 HG3 LYS 45 HG1 LYS 45 -14.003 -6.298 -6.596 374 HD2 LYS 45 HD2 LYS 45 -13.547 -8.363 -7.843 375 HD3 LYS 45 HD1 LYS 45 -15.252 -8.456 -8.290 376 HE2 LYS 45 HE2 LYS 45 -15.066 -6.307 -9.440 377 HE3 LYS 45 HE1 LYS 45 -13.363 -6.215 -8.995 378 HZ1 LYS 45 HZ1 LYS 45 -12.988 -8.255 -10.261 379 HZ2 LYS 45 HZ2 LYS 45 -13.592 -7.013 -11.236 380 HZ3 LYS 45 HZ3 LYS 45 -14.610 -8.266 -10.737 381 H THR 46 HN THR 46 -17.812 -7.246 -3.444 382 HA THR 46 HA THR 46 -17.702 -9.961 -2.520 383 HB THR 46 HB THR 46 -16.601 -8.901 -0.614 384 HG1 THR 46 HG1 THR 46 -18.251 -9.567 0.989 385 HG21 THR 46 HG21 THR 46 -17.469 -6.668 -0.707 386 HG22 THR 46 HG22 THR 46 -17.923 -7.371 0.846 387 HG23 THR 46 HG23 THR 46 -19.114 -7.245 -0.450 388 H TYR 47 HN TYR 47 -19.732 -10.824 -2.220 389 HA TYR 47 HA TYR 47 -21.955 -8.938 -1.902 390 HB2 TYR 47 HB2 TYR 47 -23.355 -10.751 -3.127 391 HB3 TYR 47 HB1 TYR 47 -22.369 -9.661 -4.093 392 HD1 TYR 47 HD1 TYR 47 -20.335 -10.476 -5.197 393 HD2 TYR 47 HD2 TYR 47 -22.853 -13.111 -3.006 394 HE1 TYR 47 HE1 TYR 47 -19.248 -12.400 -6.273 395 HE2 TYR 47 HE2 TYR 47 -21.770 -15.041 -4.072 396 HH TYR 47 HH TYR 47 -18.879 -14.777 -5.837 397 H SER 48 HN SER 48 -21.033 -9.493 0.251 398 HA SER 48 HA SER 48 -22.762 -11.046 1.772 399 HB2 SER 48 HB2 SER 48 -21.247 -12.898 2.453 400 HB3 SER 48 HB1 SER 48 -21.670 -13.002 0.745 401 HG SER 48 HG SER 48 -19.637 -11.980 0.290 402 H ASN 49 HN ASN 49 -22.031 -11.064 4.086 403 HA ASN 49 HA ASN 49 -20.054 -8.938 4.536 404 HB2 ASN 49 HB2 ASN 49 -22.374 -8.747 5.545 405 HB3 ASN 49 HB1 ASN 49 -21.952 -10.108 6.578 406 HD21 ASN 49 HD21 ASN 49 -19.728 -7.559 5.594 407 HD22 ASN 49 HD22 ASN 49 -19.517 -6.894 7.174 408 H SER 50 HN SER 50 -19.616 -11.834 3.895 409 HA SER 50 HA SER 50 -17.874 -12.442 6.168 410 HB2 SER 50 HB2 SER 50 -18.979 -14.412 4.156 411 HB3 SER 50 HB1 SER 50 -18.017 -14.804 5.580 412 HG SER 50 HG SER 50 -19.731 -13.982 6.869 413 H ALA 51 HN ALA 51 -17.736 -10.919 3.560 414 HA ALA 51 HA ALA 51 -15.050 -11.745 2.832 415 HB1 ALA 51 HB1 ALA 51 -16.103 -11.292 0.336 416 HB2 ALA 51 HB2 ALA 51 -17.360 -12.266 1.127 417 HB3 ALA 51 HB3 ALA 51 -15.708 -12.882 1.017 418 H THR 52 HN THR 52 -13.845 -10.054 2.084 419 HA THR 52 HA THR 52 -15.171 -8.301 0.437 420 HB THR 52 HB THR 52 -13.212 -6.712 1.804 421 HG1 THR 52 HG1 THR 52 -14.842 -8.299 3.219 422 HG21 THR 52 HG21 THR 52 -16.208 -6.392 1.533 423 HG22 THR 52 HG22 THR 52 -15.019 -5.810 0.371 424 HG23 THR 52 HG23 THR 52 -15.070 -5.129 1.995 425 H LYS 53 HN LYS 53 -14.166 -9.300 -1.302 426 HA LYS 53 HA LYS 53 -11.434 -10.113 -1.115 427 HB2 LYS 53 HB2 LYS 53 -13.060 -11.383 -2.462 428 HB3 LYS 53 HB1 LYS 53 -13.275 -9.993 -3.514 429 HG2 LYS 53 HG2 LYS 53 -10.922 -10.162 -4.199 430 HG3 LYS 53 HG1 LYS 53 -10.739 -11.584 -3.171 431 HD2 LYS 53 HD2 LYS 53 -11.090 -12.307 -5.437 432 HD3 LYS 53 HD1 LYS 53 -12.524 -12.702 -4.488 433 HE2 LYS 53 HE2 LYS 53 -13.623 -10.672 -5.355 434 HE3 LYS 53 HE1 LYS 53 -12.201 -10.340 -6.340 435 HZ1 LYS 53 HZ1 LYS 53 -13.944 -11.437 -7.610 436 HZ2 LYS 53 HZ2 LYS 53 -13.911 -12.759 -6.554 437 HZ3 LYS 53 HZ3 LYS 53 -12.566 -12.408 -7.514 438 H ILE 54 HN ILE 54 -9.701 -8.988 -1.526 439 HA ILE 54 HA ILE 54 -10.114 -6.357 -2.745 440 HB ILE 54 HB ILE 54 -8.131 -5.710 -1.210 441 HG12 ILE 54 HG12 ILE 54 -8.554 -6.924 1.063 442 HG13 ILE 54 HG11 ILE 54 -9.144 -8.240 0.056 443 HG21 ILE 54 HG21 ILE 54 -9.735 -4.980 0.424 444 HG22 ILE 54 HG22 ILE 54 -10.892 -6.172 -0.182 445 HG23 ILE 54 HG23 ILE 54 -10.363 -4.835 -1.223 446 HD11 ILE 54 HD11 ILE 54 -6.983 -8.351 -1.067 447 HD12 ILE 54 HD12 ILE 54 -6.818 -8.561 0.676 448 HD13 ILE 54 HD13 ILE 54 -6.396 -7.021 -0.070 449 H GLU 55 HN GLU 55 -8.414 -5.355 -3.686 450 HA GLU 55 HA GLU 55 -5.985 -6.843 -4.232 451 HB2 GLU 55 HB2 GLU 55 -7.955 -5.794 -6.241 452 HB3 GLU 55 HB1 GLU 55 -6.256 -5.947 -6.592 453 HG2 GLU 55 HG2 GLU 55 -6.329 -8.310 -6.353 454 HG3 GLU 55 HG1 GLU 55 -7.965 -8.235 -5.696 455 H VAL 56 HN VAL 56 -4.612 -5.400 -3.418 456 HA VAL 56 HA VAL 56 -5.082 -2.534 -3.906 457 HB VAL 56 HB VAL 56 -4.426 -2.330 -1.697 458 HG11 VAL 56 HG11 VAL 56 -3.528 -4.177 -0.464 459 HG12 VAL 56 HG12 VAL 56 -3.376 -5.077 -1.972 460 HG13 VAL 56 HG13 VAL 56 -4.965 -4.602 -1.386 461 HG21 VAL 56 HG21 VAL 56 -1.685 -3.373 -2.540 462 HG22 VAL 56 HG22 VAL 56 -2.044 -2.218 -1.263 463 HG23 VAL 56 HG23 VAL 56 -2.243 -1.756 -2.947 464 H THR 57 HN THR 57 -3.692 -1.438 -5.002 465 HA THR 57 HA THR 57 -0.979 -2.393 -5.229 466 HB THR 57 HB THR 57 -2.422 -1.532 -7.755 467 HG1 THR 57 HG1 THR 57 -2.272 -3.997 -6.571 468 HG21 THR 57 HG21 THR 57 0.331 -2.683 -7.321 469 HG22 THR 57 HG22 THR 57 -0.047 -1.015 -7.748 470 HG23 THR 57 HG23 THR 57 -0.387 -2.315 -8.889 471 H ILE 58 HN ILE 58 -0.022 -0.778 -4.375 472 HA ILE 58 HA ILE 58 -1.009 1.994 -4.771 473 HB ILE 58 HB ILE 58 0.110 0.422 -2.477 474 HG12 ILE 58 HG12 ILE 58 -1.463 1.869 -1.177 475 HG13 ILE 58 HG11 ILE 58 -1.923 2.650 -2.680 476 HG21 ILE 58 HG21 ILE 58 0.560 3.406 -2.699 477 HG22 ILE 58 HG22 ILE 58 1.806 2.161 -2.637 478 HG23 ILE 58 HG23 ILE 58 0.781 2.451 -1.234 479 HD11 ILE 58 HD11 ILE 58 -2.653 0.413 -3.509 480 HD12 ILE 58 HD12 ILE 58 -3.576 1.049 -2.148 481 HD13 ILE 58 HD13 ILE 58 -2.365 -0.203 -1.882 482 HA PRO 59 HA PRO 59 3.208 2.085 -6.763 483 HB2 PRO 59 HB2 PRO 59 1.800 3.844 -8.664 484 HB3 PRO 59 HB1 PRO 59 2.736 2.371 -8.977 485 HG2 PRO 59 HG2 PRO 59 0.079 2.416 -9.262 486 HG3 PRO 59 HG1 PRO 59 0.909 0.986 -8.610 487 HD2 PRO 59 HD2 PRO 59 -0.452 3.206 -7.117 488 HD3 PRO 59 HD1 PRO 59 -0.664 1.453 -6.924 489 H LEU 60 HN LEU 60 4.236 3.442 -5.319 490 HA LEU 60 HA LEU 60 3.786 6.320 -5.572 491 HB2 LEU 60 HB2 LEU 60 5.542 4.556 -3.887 492 HB3 LEU 60 HB1 LEU 60 5.953 6.236 -4.104 493 HG LEU 60 HG LEU 60 3.733 6.849 -3.146 494 HD11 LEU 60 HD11 LEU 60 2.475 5.167 -1.930 495 HD12 LEU 60 HD12 LEU 60 3.585 3.916 -2.487 496 HD13 LEU 60 HD13 LEU 60 2.561 4.763 -3.645 497 HD21 LEU 60 HD21 LEU 60 4.354 6.329 -0.838 498 HD22 LEU 60 HD22 LEU 60 5.738 6.874 -1.784 499 HD23 LEU 60 HD23 LEU 60 5.536 5.159 -1.425 500 H LYS 61 HN LYS 61 6.110 7.525 -5.949 501 HA LYS 61 HA LYS 61 7.321 6.682 -8.353 502 HB2 LYS 61 HB2 LYS 61 8.781 8.011 -6.084 503 HB3 LYS 61 HB1 LYS 61 9.195 8.062 -7.791 504 HG2 LYS 61 HG2 LYS 61 7.167 9.381 -8.247 505 HG3 LYS 61 HG1 LYS 61 6.829 9.412 -6.514 506 HD2 LYS 61 HD2 LYS 61 7.962 11.461 -7.318 507 HD3 LYS 61 HD1 LYS 61 8.883 10.600 -6.087 508 HE2 LYS 61 HE2 LYS 61 10.327 11.393 -7.885 509 HE3 LYS 61 HE1 LYS 61 10.307 9.634 -7.819 510 HZ1 LYS 61 HZ1 LYS 61 8.758 9.616 -9.669 511 HZ2 LYS 61 HZ2 LYS 61 10.159 10.463 -10.086 512 HZ3 LYS 61 HZ3 LYS 61 8.745 11.308 -9.711 513 H ASN 62 HN ASN 62 8.080 6.275 -4.981 514 HA ASN 62 HA ASN 62 10.570 5.198 -5.399 515 HB2 ASN 62 HB2 ASN 62 8.850 5.591 -3.105 516 HB3 ASN 62 HB1 ASN 62 10.118 4.403 -2.899 517 HD21 ASN 62 HD21 ASN 62 11.973 5.756 -4.663 518 HD22 ASN 62 HD22 ASN 62 12.518 7.160 -3.814 519 H VAL 63 HN VAL 63 7.689 3.612 -4.084 520 HA VAL 63 HA VAL 63 8.464 1.142 -5.422 521 HB VAL 63 HB VAL 63 9.306 1.104 -3.104 522 HG11 VAL 63 HG11 VAL 63 7.743 0.875 -1.235 523 HG12 VAL 63 HG12 VAL 63 6.403 1.211 -2.332 524 HG13 VAL 63 HG13 VAL 63 7.617 2.451 -2.019 525 HG21 VAL 63 HG21 VAL 63 8.817 -0.985 -4.219 526 HG22 VAL 63 HG22 VAL 63 7.132 -0.887 -3.705 527 HG23 VAL 63 HG23 VAL 63 8.408 -1.107 -2.507 528 H THR 64 HN THR 64 6.798 -0.283 -5.805 529 HA THR 64 HA THR 64 4.059 0.779 -5.486 530 HB THR 64 HB THR 64 5.167 -1.041 -7.642 531 HG1 THR 64 HG1 THR 64 5.622 1.312 -7.719 532 HG21 THR 64 HG21 THR 64 2.379 0.050 -7.257 533 HG22 THR 64 HG22 THR 64 2.868 -1.638 -7.125 534 HG23 THR 64 HG23 THR 64 2.945 -0.817 -8.684 535 H LEU 65 HN LEU 65 2.964 -0.378 -3.935 536 HA LEU 65 HA LEU 65 3.682 -3.206 -3.598 537 HB2 LEU 65 HB2 LEU 65 2.039 -1.379 -1.843 538 HB3 LEU 65 HB1 LEU 65 2.048 -3.116 -1.661 539 HG LEU 65 HG LEU 65 4.680 -2.808 -1.577 540 HD11 LEU 65 HD11 LEU 65 4.796 -0.430 -1.898 541 HD12 LEU 65 HD12 LEU 65 5.314 -0.813 -0.248 542 HD13 LEU 65 HD13 LEU 65 3.698 -0.155 -0.548 543 HD21 LEU 65 HD21 LEU 65 2.877 -2.274 0.762 544 HD22 LEU 65 HD22 LEU 65 4.542 -2.854 0.834 545 HD23 LEU 65 HD23 LEU 65 3.288 -3.858 0.108 546 H ARG 66 HN ARG 66 2.036 -4.788 -3.404 547 HA ARG 66 HA ARG 66 -0.653 -4.018 -4.086 548 HB2 ARG 66 HB2 ARG 66 -0.890 -5.455 -5.910 549 HB3 ARG 66 HB1 ARG 66 0.564 -4.535 -6.155 550 HG2 ARG 66 HG2 ARG 66 1.633 -6.431 -6.555 551 HG3 ARG 66 HG1 ARG 66 1.389 -6.849 -4.852 552 HD2 ARG 66 HD2 ARG 66 0.460 -8.629 -6.122 553 HD3 ARG 66 HD1 ARG 66 -0.883 -7.663 -5.492 554 HE ARG 66 HE ARG 66 -0.653 -6.549 -7.846 555 HH11 ARG 66 HH11 ARG 66 -0.369 -9.951 -7.093 556 HH12 ARG 66 HH12 ARG 66 -1.015 -10.469 -8.614 557 HH21 ARG 66 HH21 ARG 66 -1.497 -7.226 -9.844 558 HH22 ARG 66 HH22 ARG 66 -1.664 -8.919 -10.181 559 H ALA 67 HN ALA 67 -2.163 -5.458 -3.500 560 HA ALA 67 HA ALA 67 -1.376 -8.039 -2.344 561 HB1 ALA 67 HB1 ALA 67 -1.168 -6.438 -0.430 562 HB2 ALA 67 HB2 ALA 67 -2.308 -7.748 -0.154 563 HB3 ALA 67 HB3 ALA 67 -2.900 -6.137 -0.544 564 H GLU 68 HN GLU 68 -2.711 -9.485 -3.153 565 HA GLU 68 HA GLU 68 -5.520 -8.701 -3.623 566 HB2 GLU 68 HB2 GLU 68 -5.436 -10.449 -5.478 567 HB3 GLU 68 HB1 GLU 68 -4.557 -8.955 -5.767 568 HG2 GLU 68 HG2 GLU 68 -2.481 -9.976 -5.481 569 HG3 GLU 68 HG1 GLU 68 -3.179 -11.372 -4.664 570 H GLU 69 HN GLU 69 -6.838 -9.748 -2.245 571 HA GLU 69 HA GLU 69 -6.511 -12.600 -1.765 572 HB2 GLU 69 HB2 GLU 69 -6.275 -10.570 0.453 573 HB3 GLU 69 HB1 GLU 69 -6.700 -12.248 0.743 574 HG2 GLU 69 HG2 GLU 69 -4.554 -12.914 -0.297 575 HG3 GLU 69 HG1 GLU 69 -4.133 -11.206 -0.422 576 H ARG 70 HN ARG 70 -8.343 -13.569 -0.714 577 HA ARG 70 HA ARG 70 -10.777 -11.935 -0.869 578 HB2 ARG 70 HB2 ARG 70 -10.668 -14.137 -2.103 579 HB3 ARG 70 HB1 ARG 70 -10.589 -14.935 -0.538 580 HG2 ARG 70 HG2 ARG 70 -12.767 -13.809 0.025 581 HG3 ARG 70 HG1 ARG 70 -12.853 -13.308 -1.664 582 HD2 ARG 70 HD2 ARG 70 -12.776 -16.126 -0.604 583 HD3 ARG 70 HD1 ARG 70 -14.138 -15.315 -1.373 584 HE ARG 70 HE ARG 70 -11.914 -15.332 -3.113 585 HH11 ARG 70 HH11 ARG 70 -14.382 -17.432 -1.797 586 HH12 ARG 70 HH12 ARG 70 -14.316 -18.547 -3.125 587 HH21 ARG 70 HH21 ARG 70 -11.815 -16.787 -4.850 588 HH22 ARG 70 HH22 ARG 70 -12.852 -18.180 -4.865 589 H ASN 71 HN ASN 71 -9.942 -10.902 1.127 590 HA ASN 71 HA ASN 71 -9.972 -12.523 3.539 591 HB2 ASN 71 HB2 ASN 71 -8.265 -10.702 3.117 592 HB3 ASN 71 HB1 ASN 71 -9.557 -9.532 3.277 593 HD21 ASN 71 HD21 ASN 71 -7.090 -10.074 4.576 594 HD22 ASN 71 HD22 ASN 71 -7.471 -10.215 6.220 595 H ASP 72 HN ASP 72 -11.473 -12.341 5.173 596 HA ASP 72 HA ASP 72 -14.135 -11.722 4.628 597 HB2 ASP 72 HB2 ASP 72 -13.268 -13.155 6.507 598 HB3 ASP 72 HB1 ASP 72 -12.799 -11.684 7.347 599 H ASP 73 HN ASP 73 -11.549 -9.813 6.010 600 HA ASP 73 HA ASP 73 -13.227 -7.371 5.847 601 HB2 ASP 73 HB2 ASP 73 -11.058 -8.196 7.752 602 HB3 ASP 73 HB1 ASP 73 -11.257 -6.498 7.360 603 H LEU 74 HN LEU 74 -12.958 -6.573 4.099 604 HA LEU 74 HA LEU 74 -11.042 -5.887 2.459 605 HB2 LEU 74 HB2 LEU 74 -13.165 -4.820 2.422 606 HB3 LEU 74 HB1 LEU 74 -12.951 -4.334 4.104 607 HG LEU 74 HG LEU 74 -11.494 -2.547 3.499 608 HD11 LEU 74 HD11 LEU 74 -11.571 -3.686 0.723 609 HD12 LEU 74 HD12 LEU 74 -10.179 -3.540 1.800 610 HD13 LEU 74 HD13 LEU 74 -10.930 -2.091 1.127 611 HD21 LEU 74 HD21 LEU 74 -12.938 -1.191 2.062 612 HD22 LEU 74 HD22 LEU 74 -13.868 -2.087 3.263 613 HD23 LEU 74 HD23 LEU 74 -13.823 -2.641 1.589 614 H TYR 75 HN TYR 75 -11.463 -4.597 5.682 615 HA TYR 75 HA TYR 75 -9.458 -2.693 5.290 616 HB2 TYR 75 HB2 TYR 75 -11.072 -3.472 7.714 617 HB3 TYR 75 HB1 TYR 75 -9.806 -2.250 7.781 618 HD1 TYR 75 HD1 TYR 75 -12.950 -2.526 7.922 619 HD2 TYR 75 HD2 TYR 75 -10.035 -0.921 5.361 620 HE1 TYR 75 HE1 TYR 75 -14.521 -0.941 7.153 621 HE2 TYR 75 HE2 TYR 75 -11.585 0.681 4.566 622 HH TYR 75 HH TYR 75 -14.496 1.416 6.072 623 H ALA 76 HN ALA 76 -9.599 -5.917 6.235 624 HA ALA 76 HA ALA 76 -7.143 -6.027 7.756 625 HB1 ALA 76 HB1 ALA 76 -8.795 -8.263 6.607 626 HB2 ALA 76 HB2 ALA 76 -9.108 -7.518 8.179 627 HB3 ALA 76 HB3 ALA 76 -7.592 -8.381 7.897 628 H GLY 77 HN GLY 77 -8.401 -6.581 4.534 629 HA2 GLY 77 HA2 GLY 77 -6.041 -7.848 3.523 630 HA3 GLY 77 HA1 GLY 77 -7.358 -7.130 2.605 631 H ILE 78 HN ILE 78 -7.373 -4.575 3.265 632 HA ILE 78 HA ILE 78 -5.146 -3.461 2.064 633 HB ILE 78 HB ILE 78 -7.663 -2.495 3.231 634 HG12 ILE 78 HG12 ILE 78 -7.610 -1.046 1.242 635 HG13 ILE 78 HG11 ILE 78 -5.956 -1.552 0.920 636 HG21 ILE 78 HG21 ILE 78 -5.303 -0.620 3.219 637 HG22 ILE 78 HG22 ILE 78 -6.204 -1.160 4.636 638 HG23 ILE 78 HG23 ILE 78 -6.990 -0.146 3.426 639 HD11 ILE 78 HD11 ILE 78 -7.515 -2.707 -0.522 640 HD12 ILE 78 HD12 ILE 78 -8.385 -3.321 0.882 641 HD13 ILE 78 HD13 ILE 78 -6.730 -3.843 0.575 642 H ASP 79 HN ASP 79 -5.918 -4.042 5.537 643 HA ASP 79 HA ASP 79 -3.479 -2.702 6.467 644 HB2 ASP 79 HB2 ASP 79 -5.560 -4.377 7.801 645 HB3 ASP 79 HB1 ASP 79 -3.996 -4.135 8.575 646 H LEU 80 HN LEU 80 -4.253 -5.927 5.373 647 HA LEU 80 HA LEU 80 -1.765 -6.989 6.127 648 HB2 LEU 80 HB2 LEU 80 -3.746 -8.185 4.973 649 HB3 LEU 80 HB1 LEU 80 -3.112 -7.538 3.476 650 HG LEU 80 HG LEU 80 -2.484 -9.898 3.865 651 HD11 LEU 80 HD11 LEU 80 -1.064 -8.514 2.457 652 HD12 LEU 80 HD12 LEU 80 -0.110 -9.689 3.361 653 HD13 LEU 80 HD13 LEU 80 -0.144 -8.001 3.871 654 HD21 LEU 80 HD21 LEU 80 -0.878 -10.478 5.582 655 HD22 LEU 80 HD22 LEU 80 -2.333 -9.795 6.308 656 HD23 LEU 80 HD23 LEU 80 -0.873 -8.817 6.169 657 H ILE 81 HN ILE 81 -2.793 -5.392 3.100 658 HA ILE 81 HA ILE 81 -0.178 -5.040 2.170 659 HB ILE 81 HB ILE 81 -2.479 -4.768 0.952 660 HG12 ILE 81 HG12 ILE 81 -0.033 -4.703 0.133 661 HG13 ILE 81 HG11 ILE 81 -1.252 -3.958 -0.884 662 HG21 ILE 81 HG21 ILE 81 -1.816 -1.893 1.558 663 HG22 ILE 81 HG22 ILE 81 -3.203 -2.778 2.188 664 HG23 ILE 81 HG23 ILE 81 -3.067 -2.471 0.458 665 HD11 ILE 81 HD11 ILE 81 0.802 -2.640 0.845 666 HD12 ILE 81 HD12 ILE 81 -0.615 -1.770 0.265 667 HD13 ILE 81 HD13 ILE 81 0.527 -2.454 -0.886 668 H ASN 82 HN ASN 82 -2.169 -2.773 4.071 669 HA ASN 82 HA ASN 82 -0.485 -0.534 3.884 670 HB2 ASN 82 HB2 ASN 82 -2.674 -0.175 4.708 671 HB3 ASN 82 HB1 ASN 82 -2.514 -1.443 5.895 672 HD21 ASN 82 HD21 ASN 82 -2.889 -0.439 7.737 673 HD22 ASN 82 HD22 ASN 82 -1.980 0.917 8.325 674 H ASN 83 HN ASN 83 -0.623 -3.176 6.164 675 HA ASN 83 HA ASN 83 1.315 -2.020 7.930 676 HB2 ASN 83 HB2 ASN 83 0.279 -3.467 9.300 677 HB3 ASN 83 HB1 ASN 83 -0.753 -3.903 7.905 678 HD21 ASN 83 HD21 ASN 83 -1.034 -5.999 8.212 679 HD22 ASN 83 HD22 ASN 83 0.206 -7.197 8.355 680 H LYS 84 HN LYS 84 1.193 -4.583 5.509 681 HA LYS 84 HA LYS 84 3.991 -5.182 5.589 682 HB2 LYS 84 HB2 LYS 84 2.268 -6.698 4.642 683 HB3 LYS 84 HB1 LYS 84 2.020 -5.563 3.327 684 HG2 LYS 84 HG2 LYS 84 4.207 -5.962 2.469 685 HG3 LYS 84 HG1 LYS 84 4.648 -6.912 3.891 686 HD2 LYS 84 HD2 LYS 84 3.008 -8.600 3.309 687 HD3 LYS 84 HD1 LYS 84 2.465 -7.634 1.937 688 HE2 LYS 84 HE2 LYS 84 5.261 -8.709 2.264 689 HE3 LYS 84 HE1 LYS 84 3.994 -9.500 1.328 690 HZ1 LYS 84 HZ1 LYS 84 5.075 -6.785 0.813 691 HZ2 LYS 84 HZ2 LYS 84 3.872 -7.554 -0.090 692 HZ3 LYS 84 HZ3 LYS 84 5.443 -8.176 -0.074 693 H LEU 85 HN LEU 85 2.103 -2.677 4.219 694 HA LEU 85 HA LEU 85 4.005 -1.717 2.322 695 HB2 LEU 85 HB2 LEU 85 1.589 -1.181 2.173 696 HB3 LEU 85 HB1 LEU 85 1.709 -0.276 3.664 697 HG LEU 85 HG LEU 85 3.393 0.528 1.319 698 HD11 LEU 85 HD11 LEU 85 1.576 2.000 0.576 699 HD12 LEU 85 HD12 LEU 85 0.495 1.243 1.747 700 HD13 LEU 85 HD13 LEU 85 1.151 0.296 0.411 701 HD21 LEU 85 HD21 LEU 85 3.829 1.646 3.412 702 HD22 LEU 85 HD22 LEU 85 2.116 1.999 3.621 703 HD23 LEU 85 HD23 LEU 85 3.021 2.770 2.318 704 H GLU 86 HN GLU 86 2.963 -0.634 5.543 705 HA GLU 86 HA GLU 86 4.887 1.239 6.058 706 HB2 GLU 86 HB2 GLU 86 3.060 0.522 7.596 707 HB3 GLU 86 HB1 GLU 86 3.970 -0.938 7.950 708 HG2 GLU 86 HG2 GLU 86 5.802 0.461 8.836 709 HG3 GLU 86 HG1 GLU 86 4.794 1.885 8.576 710 H ARG 87 HN ARG 87 5.098 -2.293 6.454 711 HA ARG 87 HA ARG 87 7.800 -2.362 7.176 712 HB2 ARG 87 HB2 ARG 87 5.878 -4.290 6.208 713 HB3 ARG 87 HB1 ARG 87 7.558 -4.754 6.067 714 HG2 ARG 87 HG2 ARG 87 7.841 -4.331 8.469 715 HG3 ARG 87 HG1 ARG 87 6.131 -3.920 8.586 716 HD2 ARG 87 HD2 ARG 87 7.143 -6.572 7.595 717 HD3 ARG 87 HD1 ARG 87 6.735 -6.259 9.278 718 HE ARG 87 HE ARG 87 4.451 -5.623 8.262 719 HH11 ARG 87 HH11 ARG 87 6.562 -8.143 7.053 720 HH12 ARG 87 HH12 ARG 87 5.259 -9.145 6.495 721 HH21 ARG 87 HH21 ARG 87 2.736 -6.932 7.543 722 HH22 ARG 87 HH22 ARG 87 3.074 -8.450 6.764 723 H GLN 88 HN GLN 88 6.369 -2.420 3.912 724 HA GLN 88 HA GLN 88 8.902 -3.288 2.744 725 HB2 GLN 88 HB2 GLN 88 6.227 -3.532 1.977 726 HB3 GLN 88 HB1 GLN 88 6.866 -2.313 0.892 727 HG2 GLN 88 HG2 GLN 88 8.009 -5.069 1.288 728 HG3 GLN 88 HG1 GLN 88 7.010 -4.550 -0.067 729 HE21 GLN 88 HE21 GLN 88 7.884 -3.195 -1.628 730 HE22 GLN 88 HE22 GLN 88 9.588 -2.938 -1.775 731 H VAL 89 HN VAL 89 6.809 -0.587 2.955 732 HA VAL 89 HA VAL 89 8.112 1.128 1.219 733 HB VAL 89 HB VAL 89 5.800 1.105 2.758 734 HG11 VAL 89 HG11 VAL 89 6.888 2.319 4.548 735 HG12 VAL 89 HG12 VAL 89 5.723 3.370 3.741 736 HG13 VAL 89 HG13 VAL 89 7.448 3.552 3.419 737 HG21 VAL 89 HG21 VAL 89 5.952 1.786 0.434 738 HG22 VAL 89 HG22 VAL 89 6.858 3.231 0.887 739 HG23 VAL 89 HG23 VAL 89 5.176 3.053 1.385 740 H ARG 90 HN ARG 90 8.333 0.626 4.699 741 HA ARG 90 HA ARG 90 10.370 2.654 4.963 742 HB2 ARG 90 HB2 ARG 90 10.599 2.113 7.233 743 HB3 ARG 90 HB1 ARG 90 8.879 1.964 6.885 744 HG2 ARG 90 HG2 ARG 90 9.207 -0.500 6.709 745 HG3 ARG 90 HG1 ARG 90 10.876 -0.265 7.232 746 HD2 ARG 90 HD2 ARG 90 8.372 0.401 8.777 747 HD3 ARG 90 HD1 ARG 90 9.532 -0.875 9.138 748 HE ARG 90 HE ARG 90 11.029 1.400 9.193 749 HH11 ARG 90 HH11 ARG 90 8.127 0.329 10.833 750 HH12 ARG 90 HH12 ARG 90 8.387 1.335 12.222 751 HH21 ARG 90 HH21 ARG 90 11.394 2.701 11.027 752 HH22 ARG 90 HH22 ARG 90 10.263 2.671 12.346 753 H LYS 91 HN LYS 91 10.328 -0.803 4.392 754 HA LYS 91 HA LYS 91 13.015 -1.426 4.835 755 HB2 LYS 91 HB2 LYS 91 10.996 -2.864 3.896 756 HB3 LYS 91 HB1 LYS 91 11.610 -2.343 2.347 757 HG2 LYS 91 HG2 LYS 91 13.787 -3.327 2.866 758 HG3 LYS 91 HG1 LYS 91 13.151 -3.895 4.413 759 HD2 LYS 91 HD2 LYS 91 11.467 -5.217 3.228 760 HD3 LYS 91 HD1 LYS 91 12.109 -4.657 1.686 761 HE2 LYS 91 HE2 LYS 91 14.252 -5.718 2.196 762 HE3 LYS 91 HE1 LYS 91 13.608 -6.277 3.739 763 HZ1 LYS 91 HZ1 LYS 91 11.961 -7.578 2.536 764 HZ2 LYS 91 HZ2 LYS 91 13.525 -8.018 2.071 765 HZ3 LYS 91 HZ3 LYS 91 12.587 -7.045 1.058 766 H TYR 92 HN TYR 92 11.346 -0.242 2.033 767 HA TYR 92 HA TYR 92 13.629 -0.043 0.369 768 HB2 TYR 92 HB2 TYR 92 11.237 -0.389 -0.320 769 HB3 TYR 92 HB1 TYR 92 10.956 1.313 0.036 770 HD1 TYR 92 HD1 TYR 92 12.805 -0.997 -2.173 771 HD2 TYR 92 HD2 TYR 92 11.621 3.028 -1.478 772 HE1 TYR 92 HE1 TYR 92 13.563 -0.389 -4.430 773 HE2 TYR 92 HE2 TYR 92 12.376 3.645 -3.735 774 HH TYR 92 HH TYR 92 13.202 1.298 -6.102 775 H LYS 93 HN LYS 93 11.582 2.489 1.879 776 HA LYS 93 HA LYS 93 13.186 4.582 0.865 777 HB2 LYS 93 HB2 LYS 93 11.776 6.070 1.960 778 HB3 LYS 93 HB1 LYS 93 10.740 4.692 1.658 779 HG2 LYS 93 HG2 LYS 93 10.156 5.106 3.807 780 HG3 LYS 93 HG1 LYS 93 11.528 4.040 4.107 781 HD2 LYS 93 HD2 LYS 93 11.715 5.951 5.550 782 HD3 LYS 93 HD1 LYS 93 12.976 6.048 4.323 783 HE2 LYS 93 HE2 LYS 93 11.466 7.583 3.030 784 HE3 LYS 93 HE1 LYS 93 10.390 7.591 4.424 785 HZ1 LYS 93 HZ1 LYS 93 13.228 8.466 4.437 786 HZ2 LYS 93 HZ2 LYS 93 12.167 8.508 5.759 787 HZ3 LYS 93 HZ3 LYS 93 11.884 9.494 4.416 788 H THR 94 HN THR 94 13.176 2.876 3.973 789 HA THR 94 HA THR 94 15.089 4.614 5.158 790 HB THR 94 HB THR 94 14.130 1.851 5.915 791 HG1 THR 94 HG1 THR 94 12.804 3.810 6.186 792 HG21 THR 94 HG21 THR 94 16.070 3.609 7.434 793 HG22 THR 94 HG22 THR 94 16.453 2.062 6.677 794 HG23 THR 94 HG23 THR 94 15.334 2.124 8.039 795 H ARG 95 HN ARG 95 15.309 1.532 3.393 796 HA ARG 95 HA ARG 95 18.097 1.200 3.733 797 HB2 ARG 95 HB2 ARG 95 16.599 -0.591 2.961 798 HB3 ARG 95 HB1 ARG 95 16.345 0.274 1.454 799 HG2 ARG 95 HG2 ARG 95 18.722 0.032 0.921 800 HG3 ARG 95 HG1 ARG 95 18.960 -0.857 2.428 801 HD2 ARG 95 HD2 ARG 95 18.729 -2.387 0.553 802 HD3 ARG 95 HD1 ARG 95 17.378 -2.558 1.671 803 HE ARG 95 HE ARG 95 17.167 -0.978 -0.810 804 HH11 ARG 95 HH11 ARG 95 15.917 -3.410 1.386 805 HH12 ARG 95 HH12 ARG 95 14.486 -3.688 0.447 806 HH21 ARG 95 HH21 ARG 95 15.280 -1.336 -2.023 807 HH22 ARG 95 HH22 ARG 95 14.114 -2.503 -1.485 808 H ILE 96 HN ILE 96 16.198 2.868 1.212 809 HA ILE 96 HA ILE 96 18.519 3.461 -0.349 810 HB ILE 96 HB ILE 96 16.175 3.335 -1.272 811 HG12 ILE 96 HG12 ILE 96 16.525 5.226 -2.879 812 HG13 ILE 96 HG11 ILE 96 17.846 5.786 -1.858 813 HG21 ILE 96 HG21 ILE 96 14.768 5.302 -1.196 814 HG22 ILE 96 HG22 ILE 96 15.936 6.125 -0.163 815 HG23 ILE 96 HG23 ILE 96 15.075 4.710 0.437 816 HD11 ILE 96 HD11 ILE 96 19.059 3.728 -2.267 817 HD12 ILE 96 HD12 ILE 96 18.634 4.510 -3.788 818 HD13 ILE 96 HD13 ILE 96 17.718 3.110 -3.229 819 H ASN 97 HN ASN 97 16.701 5.251 2.118 820 HA ASN 97 HA ASN 97 18.183 7.667 1.839 821 HB2 ASN 97 HB2 ASN 97 16.639 6.574 4.201 822 HB3 ASN 97 HB1 ASN 97 17.345 8.183 4.146 823 HD21 ASN 97 HD21 ASN 97 16.677 8.449 1.263 824 HD22 ASN 97 HD22 ASN 97 14.981 8.769 1.225 825 H ARG 98 HN ARG 98 18.632 4.699 3.596 826 HA ARG 98 HA ARG 98 20.680 5.439 5.340 827 HB2 ARG 98 HB2 ARG 98 19.440 3.301 5.413 828 HB3 ARG 98 HB1 ARG 98 20.266 2.787 3.951 829 HG2 ARG 98 HG2 ARG 98 22.402 2.869 5.132 830 HG3 ARG 98 HG1 ARG 98 21.562 3.365 6.602 831 HD2 ARG 98 HD2 ARG 98 20.309 1.282 6.613 832 HD3 ARG 98 HD1 ARG 98 21.081 0.792 5.107 833 HE ARG 98 HE ARG 98 22.349 0.949 7.755 834 HH11 ARG 98 HH11 ARG 98 22.500 0.046 4.370 835 HH12 ARG 98 HH12 ARG 98 23.935 -0.908 4.558 836 HH21 ARG 98 HH21 ARG 98 24.221 -0.308 8.009 837 HH22 ARG 98 HH22 ARG 98 24.914 -1.118 6.638 838 H LYS 99 HN LYS 99 20.733 4.748 1.924 839 HA LYS 99 HA LYS 99 23.642 4.756 1.850 840 HB2 LYS 99 HB2 LYS 99 21.522 4.251 -0.219 841 HB3 LYS 99 HB1 LYS 99 23.207 4.481 -0.667 842 HG2 LYS 99 HG2 LYS 99 22.187 2.364 1.214 843 HG3 LYS 99 HG1 LYS 99 22.598 2.114 -0.485 844 HD2 LYS 99 HD2 LYS 99 24.905 2.907 0.032 845 HD3 LYS 99 HD1 LYS 99 24.459 2.948 1.736 846 HE2 LYS 99 HE2 LYS 99 24.011 0.566 1.704 847 HE3 LYS 99 HE1 LYS 99 24.363 0.502 -0.023 848 HZ1 LYS 99 HZ1 LYS 99 26.247 -0.238 1.279 849 HZ2 LYS 99 HZ2 LYS 99 26.291 1.231 2.115 850 HZ3 LYS 99 HZ3 LYS 99 26.631 1.190 0.459 851 H SER 100 HN SER 100 20.929 6.739 0.760 852 HA SER 100 HA SER 100 22.616 8.590 -0.638 853 HB2 SER 100 HB2 SER 100 20.305 8.160 -1.370 854 HB3 SER 100 HB1 SER 100 19.700 8.819 0.148 855 HG SER 100 HG SER 100 19.802 10.707 -0.747 856 H ARG 101 HN ARG 101 20.523 8.956 2.232 857 HA ARG 101 HA ARG 101 21.734 11.499 2.841 858 HB2 ARG 101 HB2 ARG 101 19.378 11.287 3.225 859 HB3 ARG 101 HB1 ARG 101 19.609 9.857 4.219 860 HG2 ARG 101 HG2 ARG 101 19.089 11.846 5.546 861 HG3 ARG 101 HG1 ARG 101 20.674 11.179 5.939 862 HD2 ARG 101 HD2 ARG 101 21.713 12.872 4.472 863 HD3 ARG 101 HD1 ARG 101 20.117 13.564 4.177 864 HE ARG 101 HE ARG 101 20.119 14.462 6.308 865 HH11 ARG 101 HH11 ARG 101 22.910 12.386 5.854 866 HH12 ARG 101 HH12 ARG 101 23.724 12.957 7.277 867 HH21 ARG 101 HH21 ARG 101 21.184 15.208 8.187 868 HH22 ARG 101 HH22 ARG 101 22.739 14.560 8.606 869 H ASP 102 HN ASP 102 21.509 8.340 4.466 870 HA ASP 102 HA ASP 102 23.575 9.112 6.350 871 HB2 ASP 102 HB2 ASP 102 22.194 6.451 5.931 872 HB3 ASP 102 HB1 ASP 102 23.307 6.817 7.239 873 H ARG 103 HN ARG 103 25.250 7.141 6.660 874 HA ARG 103 HA ARG 103 26.373 6.581 4.000 875 HB2 ARG 103 HB2 ARG 103 27.739 7.501 6.507 876 HB3 ARG 103 HB1 ARG 103 28.625 6.585 5.293 877 HG2 ARG 103 HG2 ARG 103 28.087 8.268 3.614 878 HG3 ARG 103 HG1 ARG 103 27.176 9.182 4.817 879 HD2 ARG 103 HD2 ARG 103 30.080 8.498 5.171 880 HD3 ARG 103 HD1 ARG 103 29.552 9.952 4.327 881 HE ARG 103 HE ARG 103 28.244 9.931 6.768 882 HH11 ARG 103 HH11 ARG 103 31.551 10.060 5.627 883 HH12 ARG 103 HH12 ARG 103 32.112 10.996 6.976 884 HH21 ARG 103 HH21 ARG 103 28.970 11.169 8.535 885 HH22 ARG 103 HH22 ARG 103 30.641 11.635 8.628 886 H GLY 104 HN GLY 104 24.581 4.915 5.487 887 HA2 GLY 104 HA2 GLY 104 24.440 2.592 5.606 888 HA3 GLY 104 HA1 GLY 104 26.187 2.500 5.454 889 H ASP 105 HN ASP 105 27.481 2.679 7.305 890 HA ASP 105 HA ASP 105 26.403 1.536 9.648 891 HB2 ASP 105 HB2 ASP 105 29.060 2.846 9.068 892 HB3 ASP 105 HB1 ASP 105 28.674 2.155 10.639 893 H GLN 106 HN GLN 106 26.875 4.815 8.648 894 HA GLN 106 HA GLN 106 26.336 5.847 11.320 895 HB2 GLN 106 HB2 GLN 106 28.110 6.833 9.799 896 HB3 GLN 106 HB1 GLN 106 26.800 7.437 8.794 897 HG2 GLN 106 HG2 GLN 106 25.971 8.785 10.620 898 HG3 GLN 106 HG1 GLN 106 27.194 8.119 11.701 899 HE21 GLN 106 HE21 GLN 106 29.324 8.766 11.485 900 HE22 GLN 106 HE22 GLN 106 29.776 10.174 10.587 901 H GLU 107 HN GLU 107 24.277 4.366 10.064 902 HA GLU 107 HA GLU 107 22.305 6.078 8.930 903 HB2 GLU 107 HB2 GLU 107 20.769 4.141 9.394 904 HB3 GLU 107 HB1 GLU 107 22.185 3.748 8.432 905 HG2 GLU 107 HG2 GLU 107 23.276 2.822 10.414 906 HG3 GLU 107 HG1 GLU 107 21.852 3.212 11.375 907 H VAL 108 HN VAL 108 22.325 7.849 10.442 908 HA VAL 108 HA VAL 108 20.916 7.241 12.949 909 HB VAL 108 HB VAL 108 22.079 9.140 14.012 910 HG11 VAL 108 HG11 VAL 108 23.949 7.079 12.853 911 HG12 VAL 108 HG12 VAL 108 22.934 6.863 14.278 912 HG13 VAL 108 HG13 VAL 108 24.238 8.052 14.296 913 HG21 VAL 108 HG21 VAL 108 23.710 9.195 11.474 914 HG22 VAL 108 HG22 VAL 108 24.044 10.127 12.934 915 HG23 VAL 108 HG23 VAL 108 22.577 10.437 12.004 916 H PHE 109 HN PHE 109 20.390 8.496 10.091 917 HA PHE 109 HA PHE 109 19.047 10.929 10.994 918 HB2 PHE 109 HB2 PHE 109 20.409 10.989 8.914 919 HB3 PHE 109 HB1 PHE 109 19.291 9.843 8.182 920 HD1 PHE 109 HD1 PHE 109 17.343 10.586 7.127 921 HD2 PHE 109 HD2 PHE 109 19.492 13.226 9.683 922 HE1 PHE 109 HE1 PHE 109 15.911 12.448 6.405 923 HE2 PHE 109 HE2 PHE 109 18.060 15.093 8.964 924 HZ PHE 109 HZ PHE 109 16.268 14.706 7.322 925 H VAL 110 HN VAL 110 18.298 7.793 9.572 926 HA VAL 110 HA VAL 110 15.444 8.374 9.710 927 HB VAL 110 HB VAL 110 16.807 5.862 8.726 928 HG11 VAL 110 HG11 VAL 110 14.643 5.410 7.651 929 HG12 VAL 110 HG12 VAL 110 13.970 6.843 8.428 930 HG13 VAL 110 HG13 VAL 110 14.511 5.480 9.407 931 HG21 VAL 110 HG21 VAL 110 17.447 7.773 7.360 932 HG22 VAL 110 HG22 VAL 110 15.751 8.217 7.164 933 HG23 VAL 110 HG23 VAL 110 16.354 6.712 6.472 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 2.206 13.091 -8.318 2 H2 MET 1 HT2 MET 1 1.310 13.930 -9.483 3 H3 MET 1 HT3 MET 1 1.087 12.265 -9.281 4 HA MET 1 HA MET 1 0.478 14.318 -7.245 5 HB2 MET 1 HB2 MET 1 -1.309 12.796 -9.145 6 HB3 MET 1 HB1 MET 1 -1.909 13.595 -7.703 7 HG2 MET 1 HG2 MET 1 -2.294 14.999 -9.595 8 HG3 MET 1 HG1 MET 1 -1.061 15.738 -8.577 9 HE1 MET 1 HE1 MET 1 -1.740 16.502 -11.645 10 HE2 MET 1 HE2 MET 1 -0.110 16.766 -12.263 11 HE3 MET 1 HE3 MET 1 -0.553 17.358 -10.663 12 H ILE 2 HN ILE 2 -0.662 13.469 -5.418 13 HA ILE 2 HA ILE 2 -0.167 10.608 -4.976 14 HB ILE 2 HB ILE 2 -0.500 11.113 -2.538 15 HG12 ILE 2 HG12 ILE 2 -1.665 13.389 -3.104 16 HG13 ILE 2 HG11 ILE 2 -0.654 13.266 -1.671 17 HG21 ILE 2 HG21 ILE 2 1.732 12.021 -2.217 18 HG22 ILE 2 HG22 ILE 2 1.752 12.598 -3.882 19 HG23 ILE 2 HG23 ILE 2 1.716 10.868 -3.551 20 HD11 ILE 2 HD11 ILE 2 1.167 14.357 -2.832 21 HD12 ILE 2 HD12 ILE 2 -0.293 15.345 -2.910 22 HD13 ILE 2 HD13 ILE 2 0.217 14.410 -4.315 23 H ARG 3 HN ARG 3 -1.935 9.577 -5.738 24 HA ARG 3 HA ARG 3 -4.564 10.530 -4.928 25 HB2 ARG 3 HB2 ARG 3 -5.101 9.651 -7.326 26 HB3 ARG 3 HB1 ARG 3 -4.562 11.296 -7.080 27 HG2 ARG 3 HG2 ARG 3 -2.314 10.652 -7.721 28 HG3 ARG 3 HG1 ARG 3 -2.825 8.971 -7.886 29 HD2 ARG 3 HD2 ARG 3 -2.697 10.078 -10.056 30 HD3 ARG 3 HD1 ARG 3 -4.351 9.599 -9.677 31 HE ARG 3 HE ARG 3 -4.024 12.225 -8.815 32 HH11 ARG 3 HH11 ARG 3 -4.003 10.442 -11.821 33 HH12 ARG 3 HH12 ARG 3 -4.578 11.777 -12.767 34 HH21 ARG 3 HH21 ARG 3 -4.773 13.991 -10.055 35 HH22 ARG 3 HH22 ARG 3 -5.010 13.794 -11.763 36 H PHE 4 HN PHE 4 -6.144 8.985 -4.702 37 HA PHE 4 HA PHE 4 -5.285 6.185 -4.829 38 HB2 PHE 4 HB2 PHE 4 -7.344 5.746 -3.461 39 HB3 PHE 4 HB1 PHE 4 -6.141 6.745 -2.662 40 HD1 PHE 4 HD1 PHE 4 -6.548 9.129 -2.299 41 HD2 PHE 4 HD2 PHE 4 -9.509 6.606 -4.023 42 HE1 PHE 4 HE1 PHE 4 -8.263 10.829 -1.831 43 HE2 PHE 4 HE2 PHE 4 -11.227 8.305 -3.563 44 HZ PHE 4 HZ PHE 4 -10.605 10.418 -2.467 45 H GLU 5 HN GLU 5 -6.056 4.890 -6.356 46 HA GLU 5 HA GLU 5 -8.414 5.784 -7.868 47 HB2 GLU 5 HB2 GLU 5 -5.958 4.364 -8.937 48 HB3 GLU 5 HB1 GLU 5 -7.420 4.667 -9.863 49 HG2 GLU 5 HG2 GLU 5 -7.067 7.096 -9.546 50 HG3 GLU 5 HG1 GLU 5 -5.545 6.732 -8.736 51 H ILE 6 HN ILE 6 -9.715 4.652 -6.592 52 HA ILE 6 HA ILE 6 -9.214 1.815 -6.155 53 HB ILE 6 HB ILE 6 -11.242 3.720 -4.994 54 HG12 ILE 6 HG12 ILE 6 -8.853 2.471 -3.640 55 HG13 ILE 6 HG11 ILE 6 -8.808 4.053 -4.401 56 HG21 ILE 6 HG21 ILE 6 -10.627 0.881 -4.114 57 HG22 ILE 6 HG22 ILE 6 -12.047 1.333 -5.053 58 HG23 ILE 6 HG23 ILE 6 -11.833 1.957 -3.413 59 HD11 ILE 6 HD11 ILE 6 -10.589 4.793 -2.857 60 HD12 ILE 6 HD12 ILE 6 -9.102 4.309 -2.045 61 HD13 ILE 6 HD13 ILE 6 -10.494 3.224 -2.055 62 H HIS 7 HN HIS 7 -10.460 0.296 -6.902 63 HA HIS 7 HA HIS 7 -12.982 0.975 -8.291 64 HB2 HIS 7 HB2 HIS 7 -10.878 -1.046 -8.952 65 HB3 HIS 7 HB1 HIS 7 -12.563 -1.348 -9.357 66 HD1 HIS 7 HD1 HIS 7 -13.565 0.019 -11.300 67 HD2 HIS 7 HD2 HIS 7 -9.620 0.999 -10.433 68 HE1 HIS 7 HE1 HIS 7 -12.784 1.442 -13.217 69 HE2 HIS 7 HE2 HIS 7 -10.442 2.136 -12.604 70 H GLY 8 HN GLY 8 -14.273 0.591 -6.460 71 HA2 GLY 8 HA2 GLY 8 -13.645 -1.923 -5.199 72 HA3 GLY 8 HA1 GLY 8 -14.633 -0.670 -4.451 73 H ASP 9 HN ASP 9 -14.657 -3.569 -6.256 74 HA ASP 9 HA ASP 9 -17.291 -3.117 -7.415 75 HB2 ASP 9 HB2 ASP 9 -15.471 -5.535 -7.552 76 HB3 ASP 9 HB1 ASP 9 -16.987 -5.356 -8.424 77 H ASN 10 HN ASN 10 -18.406 -2.929 -5.389 78 HA ASN 10 HA ASN 10 -19.042 -5.535 -4.213 79 HB2 ASN 10 HB2 ASN 10 -18.841 -4.726 -1.951 80 HB3 ASN 10 HB1 ASN 10 -17.320 -4.431 -2.780 81 HD21 ASN 10 HD21 ASN 10 -16.813 -2.279 -3.398 82 HD22 ASN 10 HD22 ASN 10 -17.528 -0.938 -2.577 83 H LEU 11 HN LEU 11 -20.765 -4.623 -2.227 84 HA LEU 11 HA LEU 11 -23.127 -4.184 -3.661 85 HB2 LEU 11 HB2 LEU 11 -23.112 -5.227 -1.469 86 HB3 LEU 11 HB1 LEU 11 -22.515 -3.750 -0.738 87 HG LEU 11 HG LEU 11 -24.631 -2.620 -1.323 88 HD11 LEU 11 HD11 LEU 11 -25.270 -3.918 -3.262 89 HD12 LEU 11 HD12 LEU 11 -26.546 -3.978 -2.047 90 HD13 LEU 11 HD13 LEU 11 -25.468 -5.357 -2.264 91 HD21 LEU 11 HD21 LEU 11 -24.366 -3.601 0.875 92 HD22 LEU 11 HD22 LEU 11 -24.920 -5.162 0.268 93 HD23 LEU 11 HD23 LEU 11 -26.030 -3.793 0.320 94 H THR 12 HN THR 12 -21.416 -1.914 -1.488 95 HA THR 12 HA THR 12 -22.069 0.311 -3.197 96 HB THR 12 HB THR 12 -23.287 0.192 -0.427 97 HG1 THR 12 HG1 THR 12 -24.214 -0.512 -2.907 98 HG21 THR 12 HG21 THR 12 -24.303 2.343 -1.003 99 HG22 THR 12 HG22 THR 12 -23.458 2.337 -2.551 100 HG23 THR 12 HG23 THR 12 -22.542 2.450 -1.048 101 H ILE 13 HN ILE 13 -20.369 1.638 -3.139 102 HA ILE 13 HA ILE 13 -18.443 1.476 -0.982 103 HB ILE 13 HB ILE 13 -17.124 3.097 -2.259 104 HG12 ILE 13 HG12 ILE 13 -19.419 3.070 -4.232 105 HG13 ILE 13 HG11 ILE 13 -19.002 4.416 -3.178 106 HG21 ILE 13 HG21 ILE 13 -16.867 0.753 -2.783 107 HG22 ILE 13 HG22 ILE 13 -16.717 1.714 -4.254 108 HG23 ILE 13 HG23 ILE 13 -18.207 0.833 -3.925 109 HD11 ILE 13 HD11 ILE 13 -18.197 4.775 -5.441 110 HD12 ILE 13 HD12 ILE 13 -17.265 3.282 -5.357 111 HD13 ILE 13 HD13 ILE 13 -16.854 4.637 -4.308 112 H THR 14 HN THR 14 -17.626 3.507 0.035 113 HA THR 14 HA THR 14 -19.587 5.620 0.300 114 HB THR 14 HB THR 14 -20.560 4.306 1.939 115 HG1 THR 14 HG1 THR 14 -20.364 5.624 3.568 116 HG21 THR 14 HG21 THR 14 -18.959 2.479 1.967 117 HG22 THR 14 HG22 THR 14 -19.337 2.985 3.615 118 HG23 THR 14 HG23 THR 14 -17.815 3.475 2.869 119 H ASP 15 HN ASP 15 -18.834 7.314 1.778 120 HA ASP 15 HA ASP 15 -16.173 8.055 1.054 121 HB2 ASP 15 HB2 ASP 15 -16.618 10.152 2.118 122 HB3 ASP 15 HB1 ASP 15 -18.096 9.664 1.302 123 H ALA 16 HN ALA 16 -17.501 6.289 3.577 124 HA ALA 16 HA ALA 16 -15.865 6.712 5.777 125 HB1 ALA 16 HB1 ALA 16 -16.374 4.452 6.391 126 HB2 ALA 16 HB2 ALA 16 -16.708 4.025 4.708 127 HB3 ALA 16 HB3 ALA 16 -17.798 5.115 5.582 128 H ILE 17 HN ILE 17 -15.404 4.265 3.282 129 HA ILE 17 HA ILE 17 -12.795 3.536 4.051 130 HB ILE 17 HB ILE 17 -14.351 3.206 1.519 131 HG12 ILE 17 HG12 ILE 17 -13.966 0.709 2.439 132 HG13 ILE 17 HG11 ILE 17 -13.827 1.594 3.963 133 HG21 ILE 17 HG21 ILE 17 -12.634 1.574 0.790 134 HG22 ILE 17 HG22 ILE 17 -11.629 2.063 2.155 135 HG23 ILE 17 HG23 ILE 17 -12.014 3.222 0.883 136 HD11 ILE 17 HD11 ILE 17 -16.092 0.738 3.539 137 HD12 ILE 17 HD12 ILE 17 -16.183 1.736 2.085 138 HD13 ILE 17 HD13 ILE 17 -16.042 2.494 3.672 139 H ARG 18 HN ARG 18 -14.109 5.768 1.678 140 HA ARG 18 HA ARG 18 -11.753 6.336 0.365 141 HB2 ARG 18 HB2 ARG 18 -14.034 7.117 -0.343 142 HB3 ARG 18 HB1 ARG 18 -13.966 8.323 0.936 143 HG2 ARG 18 HG2 ARG 18 -11.991 9.318 -0.118 144 HG3 ARG 18 HG1 ARG 18 -12.092 8.125 -1.413 145 HD2 ARG 18 HD2 ARG 18 -13.101 10.121 -2.214 146 HD3 ARG 18 HD1 ARG 18 -14.398 8.974 -1.887 147 HE ARG 18 HE ARG 18 -13.707 11.000 0.122 148 HH11 ARG 18 HH11 ARG 18 -16.004 9.601 -2.115 149 HH12 ARG 18 HH12 ARG 18 -17.325 10.580 -1.567 150 HH21 ARG 18 HH21 ARG 18 -15.450 12.302 0.846 151 HH22 ARG 18 HH22 ARG 18 -17.011 12.119 0.109 152 H ASN 19 HN ASN 19 -13.274 7.823 3.179 153 HA ASN 19 HA ASN 19 -11.238 9.553 3.982 154 HB2 ASN 19 HB2 ASN 19 -13.474 8.132 5.362 155 HB3 ASN 19 HB1 ASN 19 -12.250 8.902 6.356 156 HD21 ASN 19 HD21 ASN 19 -15.068 9.525 6.037 157 HD22 ASN 19 HD22 ASN 19 -15.146 11.170 5.511 158 H TYR 20 HN TYR 20 -11.814 6.147 4.878 159 HA TYR 20 HA TYR 20 -9.684 5.705 6.576 160 HB2 TYR 20 HB2 TYR 20 -11.505 4.024 5.910 161 HB3 TYR 20 HB1 TYR 20 -10.554 3.725 4.465 162 HD1 TYR 20 HD1 TYR 20 -9.775 4.023 8.116 163 HD2 TYR 20 HD2 TYR 20 -9.354 1.775 4.534 164 HE1 TYR 20 HE1 TYR 20 -8.399 2.384 9.320 165 HE2 TYR 20 HE2 TYR 20 -7.974 0.125 5.727 166 HH TYR 20 HH TYR 20 -7.793 -0.059 9.059 167 H ILE 21 HN ILE 21 -9.689 5.985 3.089 168 HA ILE 21 HA ILE 21 -7.024 4.853 2.790 169 HB ILE 21 HB ILE 21 -8.922 6.144 0.830 170 HG12 ILE 21 HG12 ILE 21 -9.822 4.043 1.667 171 HG13 ILE 21 HG11 ILE 21 -9.305 3.834 -0.002 172 HG21 ILE 21 HG21 ILE 21 -7.487 5.202 -0.934 173 HG22 ILE 21 HG22 ILE 21 -6.374 4.609 0.298 174 HG23 ILE 21 HG23 ILE 21 -6.611 6.344 0.085 175 HD11 ILE 21 HD11 ILE 21 -7.804 2.944 2.449 176 HD12 ILE 21 HD12 ILE 21 -7.253 2.757 0.783 177 HD13 ILE 21 HD13 ILE 21 -8.703 1.916 1.333 178 H GLU 22 HN GLU 22 -8.808 7.745 3.020 179 HA GLU 22 HA GLU 22 -6.920 9.468 1.929 180 HB2 GLU 22 HB2 GLU 22 -9.285 10.104 2.219 181 HB3 GLU 22 HB1 GLU 22 -9.068 10.068 3.960 182 HG2 GLU 22 HG2 GLU 22 -9.048 12.338 3.245 183 HG3 GLU 22 HG1 GLU 22 -7.415 11.902 3.742 184 H GLU 23 HN GLU 23 -7.619 8.224 5.054 185 HA GLU 23 HA GLU 23 -5.683 9.681 6.549 186 HB2 GLU 23 HB2 GLU 23 -6.736 6.958 7.277 187 HB3 GLU 23 HB1 GLU 23 -6.248 8.260 8.352 188 HG2 GLU 23 HG2 GLU 23 -8.193 9.560 7.654 189 HG3 GLU 23 HG1 GLU 23 -8.686 8.242 6.569 190 H LYS 24 HN LYS 24 -5.808 6.371 5.230 191 HA LYS 24 HA LYS 24 -3.277 5.527 5.992 192 HB2 LYS 24 HB2 LYS 24 -4.859 4.860 3.506 193 HB3 LYS 24 HB1 LYS 24 -3.380 4.030 3.961 194 HG2 LYS 24 HG2 LYS 24 -5.526 4.156 5.995 195 HG3 LYS 24 HG1 LYS 24 -5.807 3.129 4.592 196 HD2 LYS 24 HD2 LYS 24 -4.828 1.765 6.276 197 HD3 LYS 24 HD1 LYS 24 -3.591 2.047 5.054 198 HE2 LYS 24 HE2 LYS 24 -2.594 2.244 7.224 199 HE3 LYS 24 HE1 LYS 24 -2.656 3.842 6.489 200 HZ1 LYS 24 HZ1 LYS 24 -4.673 4.280 7.809 201 HZ2 LYS 24 HZ2 LYS 24 -3.326 3.967 8.780 202 HZ3 LYS 24 HZ3 LYS 24 -4.498 2.774 8.556 203 H ILE 25 HN ILE 25 -4.096 6.720 2.726 204 HA ILE 25 HA ILE 25 -1.469 7.033 1.845 205 HB ILE 25 HB ILE 25 -3.942 8.543 0.991 206 HG12 ILE 25 HG12 ILE 25 -2.513 6.142 -0.171 207 HG13 ILE 25 HG11 ILE 25 -4.088 6.140 0.618 208 HG21 ILE 25 HG21 ILE 25 -1.943 9.811 0.399 209 HG22 ILE 25 HG22 ILE 25 -2.705 9.133 -1.040 210 HG23 ILE 25 HG23 ILE 25 -1.254 8.384 -0.374 211 HD11 ILE 25 HD11 ILE 25 -4.971 7.550 -1.178 212 HD12 ILE 25 HD12 ILE 25 -4.332 6.021 -1.781 213 HD13 ILE 25 HD13 ILE 25 -3.398 7.505 -1.972 214 H GLY 26 HN GLY 26 -3.585 9.258 3.588 215 HA2 GLY 26 HA2 GLY 26 -1.962 11.522 3.540 216 HA3 GLY 26 HA1 GLY 26 -3.076 11.106 4.833 217 H LYS 27 HN LYS 27 -1.817 8.678 5.696 218 HA LYS 27 HA LYS 27 0.118 9.985 7.379 219 HB2 LYS 27 HB2 LYS 27 -1.339 7.435 7.423 220 HB3 LYS 27 HB1 LYS 27 0.247 7.414 8.173 221 HG2 LYS 27 HG2 LYS 27 -1.464 7.862 9.821 222 HG3 LYS 27 HG1 LYS 27 -0.431 9.278 9.618 223 HD2 LYS 27 HD2 LYS 27 -2.132 10.267 8.130 224 HD3 LYS 27 HD1 LYS 27 -3.168 8.868 8.415 225 HE2 LYS 27 HE2 LYS 27 -3.862 10.690 9.832 226 HE3 LYS 27 HE1 LYS 27 -3.178 9.402 10.820 227 HZ1 LYS 27 HZ1 LYS 27 -1.126 10.636 10.975 228 HZ2 LYS 27 HZ2 LYS 27 -2.408 11.598 11.507 229 HZ3 LYS 27 HZ3 LYS 27 -1.736 11.856 9.977 230 H LEU 28 HN LEU 28 -0.007 7.677 4.805 231 HA LEU 28 HA LEU 28 2.694 6.867 4.937 232 HB2 LEU 28 HB2 LEU 28 0.951 6.924 2.499 233 HB3 LEU 28 HB1 LEU 28 2.326 5.870 2.810 234 HG LEU 28 HG LEU 28 -0.165 5.904 4.479 235 HD11 LEU 28 HD11 LEU 28 -0.718 5.199 2.198 236 HD12 LEU 28 HD12 LEU 28 -0.779 3.820 3.294 237 HD13 LEU 28 HD13 LEU 28 0.601 4.031 2.218 238 HD21 LEU 28 HD21 LEU 28 1.719 5.040 5.668 239 HD22 LEU 28 HD22 LEU 28 2.177 4.012 4.313 240 HD23 LEU 28 HD23 LEU 28 0.694 3.682 5.209 241 H GLU 29 HN GLU 29 0.981 9.275 3.005 242 HA GLU 29 HA GLU 29 3.182 10.246 1.554 243 HB2 GLU 29 HB2 GLU 29 0.839 10.695 0.944 244 HB3 GLU 29 HB1 GLU 29 0.651 11.681 2.385 245 HG2 GLU 29 HG2 GLU 29 2.879 12.674 0.955 246 HG3 GLU 29 HG1 GLU 29 1.560 12.443 -0.191 247 H ARG 30 HN ARG 30 1.824 11.149 4.705 248 HA ARG 30 HA ARG 30 3.577 13.367 4.976 249 HB2 ARG 30 HB2 ARG 30 1.838 12.035 6.919 250 HB3 ARG 30 HB1 ARG 30 2.782 13.441 7.326 251 HG2 ARG 30 HG2 ARG 30 0.647 13.287 5.208 252 HG3 ARG 30 HG1 ARG 30 0.459 14.009 6.806 253 HD2 ARG 30 HD2 ARG 30 2.411 14.922 4.696 254 HD3 ARG 30 HD1 ARG 30 0.860 15.679 5.041 255 HE ARG 30 HE ARG 30 2.101 15.710 7.443 256 HH11 ARG 30 HH11 ARG 30 3.110 16.708 4.249 257 HH12 ARG 30 HH12 ARG 30 4.065 18.041 4.817 258 HH21 ARG 30 HH21 ARG 30 3.364 17.467 8.209 259 HH22 ARG 30 HH22 ARG 30 4.201 18.479 7.075 260 H TYR 31 HN TYR 31 4.200 10.110 5.262 261 HA TYR 31 HA TYR 31 6.300 10.327 7.200 262 HB2 TYR 31 HB2 TYR 31 5.841 8.334 4.967 263 HB3 TYR 31 HB1 TYR 31 7.196 8.242 6.081 264 HD1 TYR 31 HD1 TYR 31 5.765 8.984 8.631 265 HD2 TYR 31 HD2 TYR 31 4.696 6.357 5.460 266 HE1 TYR 31 HE1 TYR 31 4.422 7.647 10.198 267 HE2 TYR 31 HE2 TYR 31 3.344 5.018 7.017 268 HH TYR 31 HH TYR 31 3.222 4.551 9.414 269 H PHE 32 HN PHE 32 5.853 11.206 3.913 270 HA PHE 32 HA PHE 32 8.732 11.560 3.497 271 HB2 PHE 32 HB2 PHE 32 6.696 11.748 1.333 272 HB3 PHE 32 HB1 PHE 32 8.365 11.251 1.250 273 HD1 PHE 32 HD1 PHE 32 5.397 10.010 0.499 274 HD2 PHE 32 HD2 PHE 32 8.623 9.074 3.114 275 HE1 PHE 32 HE1 PHE 32 4.736 7.644 0.466 276 HE2 PHE 32 HE2 PHE 32 7.967 6.705 3.083 277 HZ PHE 32 HZ PHE 32 6.021 5.987 1.756 278 H ASN 33 HN ASN 33 9.373 13.551 2.449 279 HA ASN 33 HA ASN 33 7.177 15.462 2.174 280 HB2 ASN 33 HB2 ASN 33 8.727 17.315 2.634 281 HB3 ASN 33 HB1 ASN 33 8.687 16.189 3.984 282 HD21 ASN 33 HD21 ASN 33 10.483 14.903 4.401 283 HD22 ASN 33 HD22 ASN 33 12.037 15.246 3.724 284 H ASP 34 HN ASP 34 9.090 13.551 0.502 285 HA ASP 34 HA ASP 34 9.482 15.357 -1.643 286 HB2 ASP 34 HB2 ASP 34 11.449 13.974 -2.317 287 HB3 ASP 34 HB1 ASP 34 11.639 14.795 -0.770 288 H VAL 35 HN VAL 35 7.196 13.676 -1.112 289 HA VAL 35 HA VAL 35 7.414 11.608 -3.158 290 HB VAL 35 HB VAL 35 6.490 10.867 -1.062 291 HG11 VAL 35 HG11 VAL 35 4.340 11.702 -0.210 292 HG12 VAL 35 HG12 VAL 35 4.354 12.957 -1.448 293 HG13 VAL 35 HG13 VAL 35 5.597 12.939 -0.196 294 HG21 VAL 35 HG21 VAL 35 4.366 11.018 -3.195 295 HG22 VAL 35 HG22 VAL 35 4.382 9.888 -1.840 296 HG23 VAL 35 HG23 VAL 35 5.642 9.807 -3.072 297 HA PRO 36 HA PRO 36 5.084 14.442 -5.770 298 HB2 PRO 36 HB2 PRO 36 6.283 13.803 -8.073 299 HB3 PRO 36 HB1 PRO 36 7.093 14.799 -6.859 300 HG2 PRO 36 HG2 PRO 36 7.548 11.964 -7.584 301 HG3 PRO 36 HG1 PRO 36 8.686 13.159 -6.944 302 HD2 PRO 36 HD2 PRO 36 7.304 11.130 -5.498 303 HD3 PRO 36 HD1 PRO 36 8.337 12.412 -4.838 304 H ASN 37 HN ASN 37 5.154 11.056 -5.578 305 HA ASN 37 HA ASN 37 2.670 10.854 -7.046 306 HB2 ASN 37 HB2 ASN 37 4.388 10.535 -8.809 307 HB3 ASN 37 HB1 ASN 37 5.053 9.188 -7.890 308 HD21 ASN 37 HD21 ASN 37 3.918 7.243 -7.808 309 HD22 ASN 37 HD22 ASN 37 2.617 6.890 -8.889 310 H ALA 38 HN ALA 38 1.375 9.680 -5.854 311 HA ALA 38 HA ALA 38 2.264 7.117 -4.835 312 HB1 ALA 38 HB1 ALA 38 1.480 7.476 -2.575 313 HB2 ALA 38 HB2 ALA 38 1.030 9.135 -2.959 314 HB3 ALA 38 HB3 ALA 38 2.731 8.660 -2.953 315 H VAL 39 HN VAL 39 0.762 5.778 -5.604 316 HA VAL 39 HA VAL 39 -1.965 6.762 -5.950 317 HB VAL 39 HB VAL 39 -0.097 5.119 -7.588 318 HG11 VAL 39 HG11 VAL 39 -3.065 4.813 -7.843 319 HG12 VAL 39 HG12 VAL 39 -2.013 3.673 -6.994 320 HG13 VAL 39 HG13 VAL 39 -1.797 3.956 -8.731 321 HG21 VAL 39 HG21 VAL 39 -2.290 7.024 -8.359 322 HG22 VAL 39 HG22 VAL 39 -1.024 6.367 -9.405 323 HG23 VAL 39 HG23 VAL 39 -0.604 7.474 -8.101 324 H ALA 40 HN ALA 40 -3.650 5.285 -5.454 325 HA ALA 40 HA ALA 40 -2.831 2.653 -4.398 326 HB1 ALA 40 HB1 ALA 40 -3.410 4.064 -2.483 327 HB2 ALA 40 HB2 ALA 40 -4.602 2.781 -2.700 328 HB3 ALA 40 HB3 ALA 40 -4.976 4.428 -3.211 329 H HIS 41 HN HIS 41 -3.332 1.761 -6.403 330 HA HIS 41 HA HIS 41 -6.043 1.887 -7.422 331 HB2 HIS 41 HB2 HIS 41 -4.055 1.587 -8.932 332 HB3 HIS 41 HB1 HIS 41 -3.790 0.010 -8.198 333 HD1 HIS 41 HD1 HIS 41 -5.289 -1.919 -8.959 334 HD2 HIS 41 HD2 HIS 41 -6.312 1.742 -10.640 335 HE1 HIS 41 HE1 HIS 41 -6.917 -2.451 -10.792 336 HE2 HIS 41 HE2 HIS 41 -7.336 -0.250 -11.935 337 H VAL 42 HN VAL 42 -7.381 1.065 -5.839 338 HA VAL 42 HA VAL 42 -6.724 -1.597 -4.733 339 HB VAL 42 HB VAL 42 -7.732 0.970 -3.614 340 HG11 VAL 42 HG11 VAL 42 -8.744 -0.148 -1.731 341 HG12 VAL 42 HG12 VAL 42 -8.416 -1.712 -2.483 342 HG13 VAL 42 HG13 VAL 42 -9.540 -0.585 -3.243 343 HG21 VAL 42 HG21 VAL 42 -5.430 0.313 -3.253 344 HG22 VAL 42 HG22 VAL 42 -5.977 -1.259 -2.643 345 HG23 VAL 42 HG23 VAL 42 -6.315 0.211 -1.722 346 H LYS 43 HN LYS 43 -8.417 -2.908 -4.377 347 HA LYS 43 HA LYS 43 -10.951 -2.313 -5.710 348 HB2 LYS 43 HB2 LYS 43 -9.622 -3.113 -7.547 349 HB3 LYS 43 HB1 LYS 43 -8.986 -4.435 -6.591 350 HG2 LYS 43 HG2 LYS 43 -11.302 -5.370 -6.498 351 HG3 LYS 43 HG1 LYS 43 -11.778 -4.118 -7.650 352 HD2 LYS 43 HD2 LYS 43 -10.207 -4.951 -9.273 353 HD3 LYS 43 HD1 LYS 43 -9.573 -6.121 -8.114 354 HE2 LYS 43 HE2 LYS 43 -11.850 -7.137 -8.019 355 HE3 LYS 43 HE1 LYS 43 -12.322 -6.059 -9.332 356 HZ1 LYS 43 HZ1 LYS 43 -10.162 -8.091 -9.442 357 HZ2 LYS 43 HZ2 LYS 43 -10.590 -7.048 -10.703 358 HZ3 LYS 43 HZ3 LYS 43 -11.685 -8.221 -10.173 359 H VAL 44 HN VAL 44 -12.581 -3.573 -5.069 360 HA VAL 44 HA VAL 44 -12.032 -5.677 -3.100 361 HB VAL 44 HB VAL 44 -12.600 -3.384 -2.029 362 HG11 VAL 44 HG11 VAL 44 -14.993 -2.857 -2.014 363 HG12 VAL 44 HG12 VAL 44 -15.251 -4.176 -3.167 364 HG13 VAL 44 HG13 VAL 44 -14.283 -2.766 -3.633 365 HG21 VAL 44 HG21 VAL 44 -12.747 -5.416 -0.740 366 HG22 VAL 44 HG22 VAL 44 -14.315 -5.795 -1.447 367 HG23 VAL 44 HG23 VAL 44 -14.140 -4.401 -0.382 368 H LYS 45 HN LYS 45 -13.855 -7.049 -2.868 369 HA LYS 45 HA LYS 45 -15.987 -6.951 -4.823 370 HB2 LYS 45 HB2 LYS 45 -13.857 -9.083 -4.774 371 HB3 LYS 45 HB1 LYS 45 -15.463 -9.412 -5.399 372 HG2 LYS 45 HG2 LYS 45 -15.142 -7.572 -7.030 373 HG3 LYS 45 HG1 LYS 45 -13.489 -7.396 -6.443 374 HD2 LYS 45 HD2 LYS 45 -13.221 -8.752 -8.305 375 HD3 LYS 45 HD1 LYS 45 -13.283 -9.922 -6.988 376 HE2 LYS 45 HE2 LYS 45 -15.662 -9.140 -8.668 377 HE3 LYS 45 HE1 LYS 45 -14.632 -10.524 -9.014 378 HZ1 LYS 45 HZ1 LYS 45 -16.552 -11.251 -7.825 379 HZ2 LYS 45 HZ2 LYS 45 -16.308 -10.122 -6.599 380 HZ3 LYS 45 HZ3 LYS 45 -15.220 -11.400 -6.797 381 H THR 46 HN THR 46 -17.634 -7.106 -3.471 382 HA THR 46 HA THR 46 -18.057 -9.552 -2.076 383 HB THR 46 HB THR 46 -16.801 -8.622 -0.304 384 HG1 THR 46 HG1 THR 46 -19.241 -7.843 0.738 385 HG21 THR 46 HG21 THR 46 -17.176 -6.431 0.674 386 HG22 THR 46 HG22 THR 46 -18.460 -6.109 -0.490 387 HG23 THR 46 HG23 THR 46 -16.793 -6.273 -1.040 388 H TYR 47 HN TYR 47 -19.999 -9.884 -3.034 389 HA TYR 47 HA TYR 47 -21.996 -7.767 -2.930 390 HB2 TYR 47 HB2 TYR 47 -21.880 -9.251 -4.917 391 HB3 TYR 47 HB1 TYR 47 -22.242 -10.634 -3.892 392 HD1 TYR 47 HD1 TYR 47 -23.684 -7.258 -4.640 393 HD2 TYR 47 HD2 TYR 47 -24.412 -11.385 -3.905 394 HE1 TYR 47 HE1 TYR 47 -26.090 -6.891 -4.992 395 HE2 TYR 47 HE2 TYR 47 -26.817 -11.030 -4.257 396 HH TYR 47 HH TYR 47 -28.079 -8.185 -5.618 397 H SER 48 HN SER 48 -21.478 -7.847 -0.576 398 HA SER 48 HA SER 48 -23.632 -8.706 0.929 399 HB2 SER 48 HB2 SER 48 -22.502 -10.467 2.338 400 HB3 SER 48 HB1 SER 48 -22.855 -10.992 0.691 401 HG SER 48 HG SER 48 -20.619 -11.299 1.748 402 H ASN 49 HN ASN 49 -23.082 -8.438 3.355 403 HA ASN 49 HA ASN 49 -20.987 -6.381 3.586 404 HB2 ASN 49 HB2 ASN 49 -23.571 -6.720 5.115 405 HB3 ASN 49 HB1 ASN 49 -22.314 -5.580 5.578 406 HD21 ASN 49 HD21 ASN 49 -25.071 -5.096 4.776 407 HD22 ASN 49 HD22 ASN 49 -24.992 -4.033 3.414 408 H SER 50 HN SER 50 -20.837 -9.366 3.881 409 HA SER 50 HA SER 50 -19.626 -9.358 6.532 410 HB2 SER 50 HB2 SER 50 -21.208 -11.652 5.367 411 HB3 SER 50 HB1 SER 50 -20.384 -11.662 6.925 412 HG SER 50 HG SER 50 -21.784 -9.694 7.310 413 H ALA 51 HN ALA 51 -18.857 -9.259 3.603 414 HA ALA 51 HA ALA 51 -16.650 -11.197 3.773 415 HB1 ALA 51 HB1 ALA 51 -17.430 -12.360 2.043 416 HB2 ALA 51 HB2 ALA 51 -17.172 -10.899 1.058 417 HB3 ALA 51 HB3 ALA 51 -18.752 -11.210 1.805 418 H THR 52 HN THR 52 -14.946 -10.720 2.203 419 HA THR 52 HA THR 52 -15.166 -8.510 0.616 420 HB THR 52 HB THR 52 -13.166 -8.337 2.863 421 HG1 THR 52 HG1 THR 52 -15.348 -7.378 3.059 422 HG21 THR 52 HG21 THR 52 -12.498 -6.177 1.614 423 HG22 THR 52 HG22 THR 52 -13.156 -7.006 0.206 424 HG23 THR 52 HG23 THR 52 -11.824 -7.724 1.108 425 H LYS 53 HN LYS 53 -13.960 -8.781 -1.239 426 HA LYS 53 HA LYS 53 -11.432 -10.235 -0.914 427 HB2 LYS 53 HB2 LYS 53 -13.033 -11.630 -2.172 428 HB3 LYS 53 HB1 LYS 53 -13.270 -10.323 -3.319 429 HG2 LYS 53 HG2 LYS 53 -10.872 -10.503 -3.935 430 HG3 LYS 53 HG1 LYS 53 -10.753 -11.912 -2.879 431 HD2 LYS 53 HD2 LYS 53 -12.599 -11.647 -5.253 432 HD3 LYS 53 HD1 LYS 53 -11.087 -12.552 -5.228 433 HE2 LYS 53 HE2 LYS 53 -11.977 -14.054 -3.548 434 HE3 LYS 53 HE1 LYS 53 -13.461 -13.109 -3.453 435 HZ1 LYS 53 HZ1 LYS 53 -13.720 -15.101 -4.810 436 HZ2 LYS 53 HZ2 LYS 53 -12.512 -14.562 -5.860 437 HZ3 LYS 53 HZ3 LYS 53 -13.961 -13.700 -5.728 438 H ILE 54 HN ILE 54 -9.726 -9.007 -1.314 439 HA ILE 54 HA ILE 54 -10.266 -6.458 -2.662 440 HB ILE 54 HB ILE 54 -8.356 -5.633 -1.102 441 HG12 ILE 54 HG12 ILE 54 -8.750 -6.781 1.200 442 HG13 ILE 54 HG11 ILE 54 -9.276 -8.160 0.244 443 HG21 ILE 54 HG21 ILE 54 -10.607 -4.854 -1.192 444 HG22 ILE 54 HG22 ILE 54 -10.060 -4.976 0.490 445 HG23 ILE 54 HG23 ILE 54 -11.138 -6.214 -0.183 446 HD11 ILE 54 HD11 ILE 54 -6.951 -8.379 0.891 447 HD12 ILE 54 HD12 ILE 54 -6.572 -6.845 0.107 448 HD13 ILE 54 HD13 ILE 54 -7.097 -8.222 -0.860 449 H GLU 55 HN GLU 55 -8.463 -5.296 -3.507 450 HA GLU 55 HA GLU 55 -6.060 -6.813 -4.104 451 HB2 GLU 55 HB2 GLU 55 -8.129 -5.949 -6.086 452 HB3 GLU 55 HB1 GLU 55 -6.438 -5.903 -6.502 453 HG2 GLU 55 HG2 GLU 55 -6.244 -8.283 -6.133 454 HG3 GLU 55 HG1 GLU 55 -7.916 -8.348 -5.579 455 H VAL 56 HN VAL 56 -4.634 -5.321 -3.420 456 HA VAL 56 HA VAL 56 -5.173 -2.468 -3.933 457 HB VAL 56 HB VAL 56 -4.404 -2.073 -1.824 458 HG11 VAL 56 HG11 VAL 56 -5.233 -4.253 -1.382 459 HG12 VAL 56 HG12 VAL 56 -3.844 -3.865 -0.373 460 HG13 VAL 56 HG13 VAL 56 -3.658 -4.928 -1.764 461 HG21 VAL 56 HG21 VAL 56 -1.797 -3.439 -2.640 462 HG22 VAL 56 HG22 VAL 56 -1.987 -2.307 -1.314 463 HG23 VAL 56 HG23 VAL 56 -2.176 -1.755 -2.968 464 H THR 57 HN THR 57 -3.768 -1.360 -5.026 465 HA THR 57 HA THR 57 -1.076 -2.388 -5.350 466 HB THR 57 HB THR 57 -2.595 -1.528 -7.843 467 HG1 THR 57 HG1 THR 57 -2.410 -3.989 -6.600 468 HG21 THR 57 HG21 THR 57 -0.185 -1.119 -7.914 469 HG22 THR 57 HG22 THR 57 -0.639 -2.407 -9.030 470 HG23 THR 57 HG23 THR 57 0.118 -2.803 -7.487 471 H ILE 58 HN ILE 58 -0.019 -0.823 -4.600 472 HA ILE 58 HA ILE 58 -0.999 1.960 -4.895 473 HB ILE 58 HB ILE 58 0.213 0.372 -2.626 474 HG12 ILE 58 HG12 ILE 58 -2.294 2.048 -2.736 475 HG13 ILE 58 HG11 ILE 58 -2.240 0.308 -2.985 476 HG21 ILE 58 HG21 ILE 58 -0.128 3.378 -2.732 477 HG22 ILE 58 HG22 ILE 58 1.394 2.496 -2.604 478 HG23 ILE 58 HG23 ILE 58 0.237 2.458 -1.272 479 HD11 ILE 58 HD11 ILE 58 -2.963 0.862 -0.738 480 HD12 ILE 58 HD12 ILE 58 -1.473 1.767 -0.467 481 HD13 ILE 58 HD13 ILE 58 -1.413 0.020 -0.704 482 HA PRO 59 HA PRO 59 3.333 2.006 -6.663 483 HB2 PRO 59 HB2 PRO 59 1.998 4.031 -8.379 484 HB3 PRO 59 HB1 PRO 59 3.021 2.655 -8.842 485 HG2 PRO 59 HG2 PRO 59 0.401 2.606 -9.291 486 HG3 PRO 59 HG1 PRO 59 1.247 1.147 -8.730 487 HD2 PRO 59 HD2 PRO 59 -0.345 3.127 -7.136 488 HD3 PRO 59 HD1 PRO 59 -0.444 1.355 -7.118 489 H LEU 60 HN LEU 60 4.163 3.081 -4.827 490 HA LEU 60 HA LEU 60 3.722 5.916 -4.571 491 HB2 LEU 60 HB2 LEU 60 5.672 4.053 -3.207 492 HB3 LEU 60 HB1 LEU 60 5.291 5.681 -2.735 493 HG LEU 60 HG LEU 60 3.383 3.362 -2.648 494 HD11 LEU 60 HD11 LEU 60 3.581 3.563 -0.230 495 HD12 LEU 60 HD12 LEU 60 4.779 4.842 -0.428 496 HD13 LEU 60 HD13 LEU 60 5.140 3.204 -0.971 497 HD21 LEU 60 HD21 LEU 60 1.917 4.895 -1.422 498 HD22 LEU 60 HD22 LEU 60 2.214 5.445 -3.070 499 HD23 LEU 60 HD23 LEU 60 3.052 6.210 -1.719 500 H LYS 61 HN LYS 61 5.994 7.172 -4.345 501 HA LYS 61 HA LYS 61 7.432 7.079 -6.764 502 HB2 LYS 61 HB2 LYS 61 7.376 8.874 -4.836 503 HB3 LYS 61 HB1 LYS 61 8.634 7.841 -4.142 504 HG2 LYS 61 HG2 LYS 61 8.852 9.050 -6.893 505 HG3 LYS 61 HG1 LYS 61 9.438 9.855 -5.439 506 HD2 LYS 61 HD2 LYS 61 10.896 7.922 -4.983 507 HD3 LYS 61 HD1 LYS 61 10.327 7.159 -6.467 508 HE2 LYS 61 HE2 LYS 61 12.462 8.195 -6.870 509 HE3 LYS 61 HE1 LYS 61 11.212 9.073 -7.750 510 HZ1 LYS 61 HZ1 LYS 61 11.213 10.753 -6.031 511 HZ2 LYS 61 HZ2 LYS 61 12.773 10.563 -6.644 512 HZ3 LYS 61 HZ3 LYS 61 12.372 9.899 -5.144 513 H ASN 62 HN ASN 62 8.064 5.985 -3.512 514 HA ASN 62 HA ASN 62 10.595 5.065 -3.987 515 HB2 ASN 62 HB2 ASN 62 9.699 5.712 -1.796 516 HB3 ASN 62 HB1 ASN 62 8.817 4.214 -1.828 517 HD21 ASN 62 HD21 ASN 62 12.083 4.655 -2.985 518 HD22 ASN 62 HD22 ASN 62 12.828 3.644 -1.801 519 H VAL 63 HN VAL 63 7.672 3.201 -3.322 520 HA VAL 63 HA VAL 63 8.574 1.067 -5.086 521 HB VAL 63 HB VAL 63 9.373 0.604 -2.803 522 HG11 VAL 63 HG11 VAL 63 7.681 1.698 -1.508 523 HG12 VAL 63 HG12 VAL 63 7.762 -0.003 -1.045 524 HG13 VAL 63 HG13 VAL 63 6.460 0.568 -2.087 525 HG21 VAL 63 HG21 VAL 63 7.250 -1.292 -3.787 526 HG22 VAL 63 HG22 VAL 63 8.509 -1.694 -2.619 527 HG23 VAL 63 HG23 VAL 63 8.946 -1.268 -4.273 528 H THR 64 HN THR 64 6.894 -0.387 -5.693 529 HA THR 64 HA THR 64 4.163 0.690 -5.392 530 HB THR 64 HB THR 64 5.300 -1.166 -7.502 531 HG1 THR 64 HG1 THR 64 5.598 1.371 -7.352 532 HG21 THR 64 HG21 THR 64 2.548 0.064 -7.288 533 HG22 THR 64 HG22 THR 64 2.938 -1.636 -7.033 534 HG23 THR 64 HG23 THR 64 3.145 -0.915 -8.628 535 H LEU 65 HN LEU 65 2.888 -0.453 -3.991 536 HA LEU 65 HA LEU 65 3.578 -3.278 -3.567 537 HB2 LEU 65 HB2 LEU 65 2.024 -1.373 -1.830 538 HB3 LEU 65 HB1 LEU 65 1.985 -3.096 -1.625 539 HG LEU 65 HG LEU 65 4.619 -2.877 -1.605 540 HD11 LEU 65 HD11 LEU 65 3.743 -0.220 -0.493 541 HD12 LEU 65 HD12 LEU 65 4.742 -0.482 -1.918 542 HD13 LEU 65 HD13 LEU 65 5.362 -0.918 -0.315 543 HD21 LEU 65 HD21 LEU 65 4.485 -2.868 0.843 544 HD22 LEU 65 HD22 LEU 65 3.306 -3.936 0.089 545 HD23 LEU 65 HD23 LEU 65 2.797 -2.373 0.726 546 H ARG 66 HN ARG 66 1.885 -4.829 -3.331 547 HA ARG 66 HA ARG 66 -0.759 -4.080 -4.263 548 HB2 ARG 66 HB2 ARG 66 0.532 -4.608 -6.161 549 HB3 ARG 66 HB1 ARG 66 1.017 -6.154 -5.552 550 HG2 ARG 66 HG2 ARG 66 -1.864 -5.494 -6.048 551 HG3 ARG 66 HG1 ARG 66 -0.814 -6.018 -7.364 552 HD2 ARG 66 HD2 ARG 66 -1.399 -7.516 -4.829 553 HD3 ARG 66 HD1 ARG 66 -2.035 -7.895 -6.426 554 HE ARG 66 HE ARG 66 0.464 -8.144 -7.007 555 HH11 ARG 66 HH11 ARG 66 -0.947 -8.997 -3.919 556 HH12 ARG 66 HH12 ARG 66 0.162 -10.290 -3.625 557 HH21 ARG 66 HH21 ARG 66 1.937 -9.837 -6.613 558 HH22 ARG 66 HH22 ARG 66 1.801 -10.774 -5.160 559 H ALA 67 HN ALA 67 -2.308 -5.357 -3.538 560 HA ALA 67 HA ALA 67 -1.656 -7.982 -2.309 561 HB1 ALA 67 HB1 ALA 67 -2.881 -7.764 -0.372 562 HB2 ALA 67 HB2 ALA 67 -4.008 -6.619 -1.078 563 HB3 ALA 67 HB3 ALA 67 -2.431 -6.070 -0.540 564 H GLU 68 HN GLU 68 -3.407 -9.535 -2.465 565 HA GLU 68 HA GLU 68 -5.744 -8.806 -4.003 566 HB2 GLU 68 HB2 GLU 68 -5.178 -10.666 -5.709 567 HB3 GLU 68 HB1 GLU 68 -4.361 -9.118 -5.886 568 HG2 GLU 68 HG2 GLU 68 -2.356 -9.967 -4.958 569 HG3 GLU 68 HG1 GLU 68 -3.148 -11.450 -4.436 570 H GLU 69 HN GLU 69 -6.696 -9.574 -2.000 571 HA GLU 69 HA GLU 69 -6.463 -12.477 -1.583 572 HB2 GLU 69 HB2 GLU 69 -5.938 -10.364 0.507 573 HB3 GLU 69 HB1 GLU 69 -6.211 -12.060 0.885 574 HG2 GLU 69 HG2 GLU 69 -4.246 -12.710 -0.311 575 HG3 GLU 69 HG1 GLU 69 -4.022 -11.073 -0.920 576 H ARG 70 HN ARG 70 -8.192 -13.454 -0.553 577 HA ARG 70 HA ARG 70 -10.620 -11.859 -0.591 578 HB2 ARG 70 HB2 ARG 70 -11.808 -14.015 -0.482 579 HB3 ARG 70 HB1 ARG 70 -10.698 -13.933 -1.838 580 HG2 ARG 70 HG2 ARG 70 -9.071 -15.260 -0.565 581 HG3 ARG 70 HG1 ARG 70 -10.228 -15.372 0.765 582 HD2 ARG 70 HD2 ARG 70 -10.549 -16.451 -2.029 583 HD3 ARG 70 HD1 ARG 70 -10.346 -17.382 -0.546 584 HE ARG 70 HE ARG 70 -12.648 -15.666 -0.497 585 HH11 ARG 70 HH11 ARG 70 -11.435 -18.792 -1.504 586 HH12 ARG 70 HH12 ARG 70 -13.002 -19.531 -1.535 587 HH21 ARG 70 HH21 ARG 70 -14.712 -16.629 -0.551 588 HH22 ARG 70 HH22 ARG 70 -14.872 -18.300 -0.989 589 H ASN 71 HN ASN 71 -9.460 -10.879 1.353 590 HA ASN 71 HA ASN 71 -9.975 -12.316 3.842 591 HB2 ASN 71 HB2 ASN 71 -7.864 -10.984 3.534 592 HB3 ASN 71 HB1 ASN 71 -8.822 -9.533 3.472 593 HD21 ASN 71 HD21 ASN 71 -6.816 -9.922 5.079 594 HD22 ASN 71 HD22 ASN 71 -7.424 -9.911 6.656 595 H ASP 72 HN ASP 72 -11.845 -12.117 4.872 596 HA ASP 72 HA ASP 72 -14.010 -10.740 3.788 597 HB2 ASP 72 HB2 ASP 72 -15.238 -11.361 5.806 598 HB3 ASP 72 HB1 ASP 72 -14.269 -12.707 5.222 599 H ASP 73 HN ASP 73 -11.659 -9.684 6.145 600 HA ASP 73 HA ASP 73 -13.039 -7.098 6.334 601 HB2 ASP 73 HB2 ASP 73 -10.566 -8.190 7.711 602 HB3 ASP 73 HB1 ASP 73 -11.157 -6.558 7.886 603 H LEU 74 HN LEU 74 -12.933 -6.389 4.515 604 HA LEU 74 HA LEU 74 -11.131 -5.675 2.751 605 HB2 LEU 74 HB2 LEU 74 -13.316 -4.725 2.837 606 HB3 LEU 74 HB1 LEU 74 -12.981 -4.120 4.463 607 HG LEU 74 HG LEU 74 -11.701 -2.308 3.639 608 HD11 LEU 74 HD11 LEU 74 -11.249 -2.023 1.202 609 HD12 LEU 74 HD12 LEU 74 -11.753 -3.701 0.977 610 HD13 LEU 74 HD13 LEU 74 -10.353 -3.322 1.990 611 HD21 LEU 74 HD21 LEU 74 -14.079 -2.709 1.836 612 HD22 LEU 74 HD22 LEU 74 -13.251 -1.178 2.103 613 HD23 LEU 74 HD23 LEU 74 -14.085 -1.972 3.437 614 H TYR 75 HN TYR 75 -11.422 -4.278 5.950 615 HA TYR 75 HA TYR 75 -9.468 -2.369 5.391 616 HB2 TYR 75 HB2 TYR 75 -10.895 -3.102 7.939 617 HB3 TYR 75 HB1 TYR 75 -9.611 -1.912 7.918 618 HD1 TYR 75 HD1 TYR 75 -10.387 -0.874 5.141 619 HD2 TYR 75 HD2 TYR 75 -12.396 -1.753 8.725 620 HE1 TYR 75 HE1 TYR 75 -11.961 0.761 4.624 621 HE2 TYR 75 HE2 TYR 75 -13.993 -0.104 8.231 622 HH TYR 75 HH TYR 75 -14.271 1.963 6.889 623 H ALA 76 HN ALA 76 -9.506 -5.563 6.442 624 HA ALA 76 HA ALA 76 -6.963 -5.579 7.819 625 HB1 ALA 76 HB1 ALA 76 -8.925 -7.057 8.393 626 HB2 ALA 76 HB2 ALA 76 -7.387 -7.890 8.153 627 HB3 ALA 76 HB3 ALA 76 -8.606 -7.903 6.872 628 H GLY 77 HN GLY 77 -8.388 -6.256 4.708 629 HA2 GLY 77 HA2 GLY 77 -6.087 -7.571 3.626 630 HA3 GLY 77 HA1 GLY 77 -7.454 -6.896 2.746 631 H ILE 78 HN ILE 78 -7.471 -4.323 3.271 632 HA ILE 78 HA ILE 78 -5.369 -3.212 1.872 633 HB ILE 78 HB ILE 78 -7.462 -1.978 3.661 634 HG12 ILE 78 HG12 ILE 78 -7.050 -2.087 0.668 635 HG13 ILE 78 HG11 ILE 78 -8.278 -2.943 1.593 636 HG21 ILE 78 HG21 ILE 78 -5.524 -0.508 3.735 637 HG22 ILE 78 HG22 ILE 78 -6.816 0.215 2.778 638 HG23 ILE 78 HG23 ILE 78 -5.430 -0.522 1.974 639 HD11 ILE 78 HD11 ILE 78 -9.299 -0.805 2.198 640 HD12 ILE 78 HD12 ILE 78 -9.227 -1.035 0.451 641 HD13 ILE 78 HD13 ILE 78 -8.075 0.037 1.248 642 H ASP 79 HN ASP 79 -5.926 -3.504 5.416 643 HA ASP 79 HA ASP 79 -3.471 -2.183 6.233 644 HB2 ASP 79 HB2 ASP 79 -5.444 -2.526 7.739 645 HB3 ASP 79 HB1 ASP 79 -5.080 -4.248 7.746 646 H LEU 80 HN LEU 80 -4.297 -5.558 5.512 647 HA LEU 80 HA LEU 80 -1.839 -6.630 6.226 648 HB2 LEU 80 HB2 LEU 80 -3.988 -7.733 5.145 649 HB3 LEU 80 HB1 LEU 80 -3.141 -7.435 3.642 650 HG LEU 80 HG LEU 80 -2.830 -9.733 4.413 651 HD11 LEU 80 HD11 LEU 80 -0.297 -8.119 4.596 652 HD12 LEU 80 HD12 LEU 80 -1.049 -8.705 3.114 653 HD13 LEU 80 HD13 LEU 80 -0.405 -9.851 4.289 654 HD21 LEU 80 HD21 LEU 80 -1.482 -8.513 6.816 655 HD22 LEU 80 HD22 LEU 80 -1.584 -10.231 6.435 656 HD23 LEU 80 HD23 LEU 80 -3.048 -9.323 6.813 657 H ILE 81 HN ILE 81 -2.837 -5.412 2.987 658 HA ILE 81 HA ILE 81 -0.216 -5.163 2.074 659 HB ILE 81 HB ILE 81 -2.718 -4.688 1.041 660 HG12 ILE 81 HG12 ILE 81 -0.789 -5.741 -0.023 661 HG13 ILE 81 HG11 ILE 81 -1.447 -4.473 -1.052 662 HG21 ILE 81 HG21 ILE 81 -2.321 -2.282 1.894 663 HG22 ILE 81 HG22 ILE 81 -2.858 -2.496 0.236 664 HG23 ILE 81 HG23 ILE 81 -1.160 -2.163 0.573 665 HD11 ILE 81 HD11 ILE 81 1.000 -4.576 -0.977 666 HD12 ILE 81 HD12 ILE 81 0.936 -4.159 0.736 667 HD13 ILE 81 HD13 ILE 81 0.338 -3.019 -0.472 668 H ASN 82 HN ASN 82 -2.071 -2.773 3.980 669 HA ASN 82 HA ASN 82 -0.247 -0.656 3.274 670 HB2 ASN 82 HB2 ASN 82 -2.807 -0.870 4.614 671 HB3 ASN 82 HB1 ASN 82 -1.729 0.237 5.456 672 HD21 ASN 82 HD21 ASN 82 -3.364 -0.449 2.461 673 HD22 ASN 82 HD22 ASN 82 -3.224 1.140 1.793 674 H ASN 83 HN ASN 83 -0.657 -2.844 5.894 675 HA ASN 83 HA ASN 83 1.234 -1.498 7.599 676 HB2 ASN 83 HB2 ASN 83 0.184 -2.771 9.128 677 HB3 ASN 83 HB1 ASN 83 -0.839 -3.384 7.802 678 HD21 ASN 83 HD21 ASN 83 1.921 -4.009 9.874 679 HD22 ASN 83 HD22 ASN 83 2.046 -5.697 9.532 680 H LYS 84 HN LYS 84 1.076 -4.349 5.486 681 HA LYS 84 HA LYS 84 3.868 -4.927 5.556 682 HB2 LYS 84 HB2 LYS 84 2.189 -6.476 4.600 683 HB3 LYS 84 HB1 LYS 84 1.912 -5.346 3.284 684 HG2 LYS 84 HG2 LYS 84 4.335 -5.608 2.680 685 HG3 LYS 84 HG1 LYS 84 4.412 -6.915 3.862 686 HD2 LYS 84 HD2 LYS 84 2.560 -6.815 1.480 687 HD3 LYS 84 HD1 LYS 84 4.057 -7.746 1.574 688 HE2 LYS 84 HE2 LYS 84 3.129 -9.018 3.457 689 HE3 LYS 84 HE1 LYS 84 1.631 -8.099 3.332 690 HZ1 LYS 84 HZ1 LYS 84 2.755 -9.854 1.224 691 HZ2 LYS 84 HZ2 LYS 84 1.317 -8.975 1.107 692 HZ3 LYS 84 HZ3 LYS 84 1.451 -10.234 2.229 693 H LEU 85 HN LEU 85 2.013 -2.428 4.125 694 HA LEU 85 HA LEU 85 3.843 -1.620 2.122 695 HB2 LEU 85 HB2 LEU 85 1.483 -0.970 2.053 696 HB3 LEU 85 HB1 LEU 85 1.683 -0.054 3.531 697 HG LEU 85 HG LEU 85 3.370 0.697 1.190 698 HD11 LEU 85 HD11 LEU 85 1.575 2.122 0.332 699 HD12 LEU 85 HD12 LEU 85 0.454 1.402 1.488 700 HD13 LEU 85 HD13 LEU 85 1.160 0.413 0.209 701 HD21 LEU 85 HD21 LEU 85 3.015 2.938 2.113 702 HD22 LEU 85 HD22 LEU 85 3.666 1.835 3.326 703 HD23 LEU 85 HD23 LEU 85 1.954 2.257 3.346 704 H GLU 86 HN GLU 86 3.099 -0.282 5.345 705 HA GLU 86 HA GLU 86 5.273 1.418 5.523 706 HB2 GLU 86 HB2 GLU 86 3.863 -0.263 7.578 707 HB3 GLU 86 HB1 GLU 86 5.178 0.817 8.022 708 HG2 GLU 86 HG2 GLU 86 3.848 2.670 6.947 709 HG3 GLU 86 HG1 GLU 86 2.507 1.531 6.852 710 H ARG 87 HN ARG 87 5.033 -2.066 6.192 711 HA ARG 87 HA ARG 87 7.694 -2.497 6.932 712 HB2 ARG 87 HB2 ARG 87 5.872 -4.081 7.242 713 HB3 ARG 87 HB1 ARG 87 5.929 -4.348 5.530 714 HG2 ARG 87 HG2 ARG 87 8.262 -5.141 5.744 715 HG3 ARG 87 HG1 ARG 87 8.079 -5.002 7.495 716 HD2 ARG 87 HD2 ARG 87 6.524 -6.790 5.633 717 HD3 ARG 87 HD1 ARG 87 7.692 -7.287 6.857 718 HE ARG 87 HE ARG 87 5.944 -6.074 8.401 719 HH11 ARG 87 HH11 ARG 87 5.335 -8.219 5.699 720 HH12 ARG 87 HH12 ARG 87 3.821 -8.791 6.331 721 HH21 ARG 87 HH21 ARG 87 3.957 -6.816 9.230 722 HH22 ARG 87 HH22 ARG 87 3.039 -7.992 8.340 723 H GLN 88 HN GLN 88 6.286 -2.302 3.710 724 HA GLN 88 HA GLN 88 8.619 -3.598 2.503 725 HB2 GLN 88 HB2 GLN 88 6.059 -3.810 1.785 726 HB3 GLN 88 HB1 GLN 88 6.425 -2.344 0.900 727 HG2 GLN 88 HG2 GLN 88 6.694 -4.182 -0.577 728 HG3 GLN 88 HG1 GLN 88 8.292 -3.533 -0.211 729 HE21 GLN 88 HE21 GLN 88 9.314 -5.456 -0.736 730 HE22 GLN 88 HE22 GLN 88 9.230 -6.854 0.279 731 H VAL 89 HN VAL 89 6.858 -0.638 2.599 732 HA VAL 89 HA VAL 89 8.330 0.943 0.937 733 HB VAL 89 HB VAL 89 6.618 1.410 3.311 734 HG11 VAL 89 HG11 VAL 89 8.410 3.079 3.596 735 HG12 VAL 89 HG12 VAL 89 6.902 3.858 3.116 736 HG13 VAL 89 HG13 VAL 89 8.185 3.616 1.931 737 HG21 VAL 89 HG21 VAL 89 6.531 2.377 0.452 738 HG22 VAL 89 HG22 VAL 89 5.297 2.676 1.675 739 HG23 VAL 89 HG23 VAL 89 5.619 1.030 1.132 740 H ARG 90 HN ARG 90 8.644 0.452 4.409 741 HA ARG 90 HA ARG 90 11.031 1.995 4.610 742 HB2 ARG 90 HB2 ARG 90 11.347 1.191 6.825 743 HB3 ARG 90 HB1 ARG 90 9.633 1.549 6.604 744 HG2 ARG 90 HG2 ARG 90 9.266 -0.897 6.239 745 HG3 ARG 90 HG1 ARG 90 10.957 -1.154 6.673 746 HD2 ARG 90 HD2 ARG 90 8.810 0.059 8.405 747 HD3 ARG 90 HD1 ARG 90 9.548 -1.528 8.602 748 HE ARG 90 HE ARG 90 11.671 0.126 8.747 749 HH11 ARG 90 HH11 ARG 90 8.562 0.152 10.344 750 HH12 ARG 90 HH12 ARG 90 9.168 0.884 11.796 751 HH21 ARG 90 HH21 ARG 90 12.473 1.112 10.652 752 HH22 ARG 90 HH22 ARG 90 11.389 1.426 11.970 753 H LYS 91 HN LYS 91 10.432 -1.458 4.091 754 HA LYS 91 HA LYS 91 13.039 -2.330 4.377 755 HB2 LYS 91 HB2 LYS 91 11.124 -3.786 4.171 756 HB3 LYS 91 HB1 LYS 91 11.073 -3.293 2.523 757 HG2 LYS 91 HG2 LYS 91 12.096 -5.488 2.738 758 HG3 LYS 91 HG1 LYS 91 13.211 -4.303 2.058 759 HD2 LYS 91 HD2 LYS 91 14.269 -4.011 4.220 760 HD3 LYS 91 HD1 LYS 91 13.101 -5.102 4.966 761 HE2 LYS 91 HE2 LYS 91 15.067 -5.854 2.806 762 HE3 LYS 91 HE1 LYS 91 15.264 -6.189 4.525 763 HZ1 LYS 91 HZ1 LYS 91 13.214 -7.510 4.431 764 HZ2 LYS 91 HZ2 LYS 91 14.417 -8.121 3.410 765 HZ3 LYS 91 HZ3 LYS 91 13.123 -7.247 2.762 766 H TYR 92 HN TYR 92 11.346 -0.981 1.673 767 HA TYR 92 HA TYR 92 13.485 -1.309 -0.187 768 HB2 TYR 92 HB2 TYR 92 10.989 -1.032 -0.707 769 HB3 TYR 92 HB1 TYR 92 11.246 0.692 -0.458 770 HD1 TYR 92 HD1 TYR 92 11.483 -2.029 -2.767 771 HD2 TYR 92 HD2 TYR 92 12.985 1.860 -1.923 772 HE1 TYR 92 HE1 TYR 92 12.241 -1.821 -5.095 773 HE2 TYR 92 HE2 TYR 92 13.742 2.081 -4.250 774 HH TYR 92 HH TYR 92 12.769 -0.042 -6.713 775 H LYS 93 HN LYS 93 12.164 1.615 1.445 776 HA LYS 93 HA LYS 93 14.180 3.302 0.384 777 HB2 LYS 93 HB2 LYS 93 13.420 4.985 1.988 778 HB3 LYS 93 HB1 LYS 93 12.071 4.234 1.151 779 HG2 LYS 93 HG2 LYS 93 11.616 2.857 3.086 780 HG3 LYS 93 HG1 LYS 93 12.997 3.553 3.931 781 HD2 LYS 93 HD2 LYS 93 10.620 5.129 2.949 782 HD3 LYS 93 HD1 LYS 93 10.796 4.519 4.591 783 HE2 LYS 93 HE2 LYS 93 11.569 6.666 4.839 784 HE3 LYS 93 HE1 LYS 93 13.071 5.808 4.513 785 HZ1 LYS 93 HZ1 LYS 93 12.753 7.923 3.255 786 HZ2 LYS 93 HZ2 LYS 93 11.497 7.178 2.408 787 HZ3 LYS 93 HZ3 LYS 93 13.070 6.578 2.284 788 H THR 94 HN THR 94 13.906 1.599 3.487 789 HA THR 94 HA THR 94 16.268 2.688 4.579 790 HB THR 94 HB THR 94 14.650 0.234 5.247 791 HG1 THR 94 HG1 THR 94 14.573 2.782 5.930 792 HG21 THR 94 HG21 THR 94 16.988 -0.362 5.710 793 HG22 THR 94 HG22 THR 94 16.090 -0.123 7.207 794 HG23 THR 94 HG23 THR 94 17.190 1.128 6.630 795 H ARG 95 HN ARG 95 15.658 -0.247 2.630 796 HA ARG 95 HA ARG 95 18.311 -1.186 2.656 797 HB2 ARG 95 HB2 ARG 95 16.657 -2.665 1.831 798 HB3 ARG 95 HB1 ARG 95 16.097 -1.500 0.640 799 HG2 ARG 95 HG2 ARG 95 18.130 -1.757 -0.632 800 HG3 ARG 95 HG1 ARG 95 18.802 -2.824 0.602 801 HD2 ARG 95 HD2 ARG 95 16.247 -3.431 -0.860 802 HD3 ARG 95 HD1 ARG 95 17.826 -3.940 -1.454 803 HE ARG 95 HE ARG 95 17.894 -4.932 1.001 804 HH11 ARG 95 HH11 ARG 95 15.280 -4.966 -1.320 805 HH12 ARG 95 HH12 ARG 95 14.669 -6.506 -0.803 806 HH21 ARG 95 HH21 ARG 95 17.107 -6.971 1.673 807 HH22 ARG 95 HH22 ARG 95 15.718 -7.653 0.885 808 H ILE 96 HN ILE 96 16.678 0.957 0.279 809 HA ILE 96 HA ILE 96 18.973 1.202 -1.352 810 HB ILE 96 HB ILE 96 16.683 1.716 -2.152 811 HG12 ILE 96 HG12 ILE 96 17.299 3.735 -3.481 812 HG13 ILE 96 HG11 ILE 96 18.709 3.944 -2.451 813 HG21 ILE 96 HG21 ILE 96 15.636 3.831 -1.674 814 HG22 ILE 96 HG22 ILE 96 16.976 4.292 -0.626 815 HG23 ILE 96 HG23 ILE 96 15.924 2.954 -0.171 816 HD11 ILE 96 HD11 ILE 96 19.628 1.857 -3.220 817 HD12 ILE 96 HD12 ILE 96 19.228 2.878 -4.602 818 HD13 ILE 96 HD13 ILE 96 18.175 1.531 -4.166 819 H ASN 97 HN ASN 97 17.843 3.047 1.427 820 HA ASN 97 HA ASN 97 19.878 5.055 1.183 821 HB2 ASN 97 HB2 ASN 97 18.024 4.310 3.444 822 HB3 ASN 97 HB1 ASN 97 19.211 5.599 3.574 823 HD21 ASN 97 HD21 ASN 97 18.873 6.411 0.776 824 HD22 ASN 97 HD22 ASN 97 17.356 7.234 0.707 825 H ARG 98 HN ARG 98 19.654 1.918 2.633 826 HA ARG 98 HA ARG 98 21.956 2.216 4.315 827 HB2 ARG 98 HB2 ARG 98 20.075 0.614 4.731 828 HB3 ARG 98 HB1 ARG 98 20.621 -0.321 3.350 829 HG2 ARG 98 HG2 ARG 98 22.527 0.233 5.569 830 HG3 ARG 98 HG1 ARG 98 21.286 -0.999 5.780 831 HD2 ARG 98 HD2 ARG 98 23.328 -0.901 3.563 832 HD3 ARG 98 HD1 ARG 98 23.380 -1.958 4.972 833 HE ARG 98 HE ARG 98 21.038 -2.650 3.951 834 HH11 ARG 98 HH11 ARG 98 24.112 -2.117 2.366 835 HH12 ARG 98 HH12 ARG 98 23.796 -3.257 1.094 836 HH21 ARG 98 HH21 ARG 98 20.613 -4.148 2.266 837 HH22 ARG 98 HH22 ARG 98 21.805 -4.401 1.029 838 H LYS 99 HN LYS 99 21.326 0.637 1.181 839 HA LYS 99 HA LYS 99 23.955 -0.380 0.897 840 HB2 LYS 99 HB2 LYS 99 23.332 -0.843 -1.434 841 HB3 LYS 99 HB1 LYS 99 22.097 -1.376 -0.305 842 HG2 LYS 99 HG2 LYS 99 20.841 0.715 -0.799 843 HG3 LYS 99 HG1 LYS 99 22.032 1.077 -2.046 844 HD2 LYS 99 HD2 LYS 99 20.605 -1.553 -2.049 845 HD3 LYS 99 HD1 LYS 99 19.805 -0.120 -2.684 846 HE2 LYS 99 HE2 LYS 99 20.838 -1.279 -4.504 847 HE3 LYS 99 HE1 LYS 99 21.733 0.209 -4.216 848 HZ1 LYS 99 HZ1 LYS 99 22.567 -2.433 -3.163 849 HZ2 LYS 99 HZ2 LYS 99 23.467 -0.999 -3.172 850 HZ3 LYS 99 HZ3 LYS 99 23.121 -1.790 -4.623 851 H SER 100 HN SER 100 22.589 2.731 0.207 852 HA SER 100 HA SER 100 24.729 3.526 -1.548 853 HB2 SER 100 HB2 SER 100 23.658 5.843 -1.168 854 HB3 SER 100 HB1 SER 100 22.704 4.623 -2.007 855 HG SER 100 HG SER 100 21.384 4.466 -0.344 856 H ARG 101 HN ARG 101 24.336 3.233 1.787 857 HA ARG 101 HA ARG 101 26.500 5.127 2.355 858 HB2 ARG 101 HB2 ARG 101 24.686 3.568 4.204 859 HB3 ARG 101 HB1 ARG 101 25.996 4.607 4.749 860 HG2 ARG 101 HG2 ARG 101 24.903 6.531 3.726 861 HG3 ARG 101 HG1 ARG 101 23.590 5.492 3.169 862 HD2 ARG 101 HD2 ARG 101 22.973 6.684 5.210 863 HD3 ARG 101 HD1 ARG 101 23.032 4.943 5.476 864 HE ARG 101 HE ARG 101 25.526 5.979 6.158 865 HH11 ARG 101 HH11 ARG 101 22.217 6.269 7.245 866 HH12 ARG 101 HH12 ARG 101 22.648 6.518 8.902 867 HH21 ARG 101 HH21 ARG 101 26.103 6.324 8.336 868 HH22 ARG 101 HH22 ARG 101 24.862 6.560 9.525 869 H ASP 102 HN ASP 102 25.608 1.733 2.568 870 HA ASP 102 HA ASP 102 28.378 0.986 2.266 871 HB2 ASP 102 HB2 ASP 102 28.084 1.204 4.737 872 HB3 ASP 102 HB1 ASP 102 26.829 -0.030 4.656 873 H ARG 103 HN ARG 103 28.604 -0.996 1.293 874 HA ARG 103 HA ARG 103 26.194 -1.948 0.008 875 HB2 ARG 103 HB2 ARG 103 28.964 -3.075 -0.335 876 HB3 ARG 103 HB1 ARG 103 27.624 -3.128 -1.469 877 HG2 ARG 103 HG2 ARG 103 27.809 -0.717 -1.807 878 HG3 ARG 103 HG1 ARG 103 29.154 -0.663 -0.665 879 HD2 ARG 103 HD2 ARG 103 29.053 -2.044 -3.337 880 HD3 ARG 103 HD1 ARG 103 30.082 -0.698 -2.855 881 HE ARG 103 HE ARG 103 30.500 -3.031 -1.242 882 HH11 ARG 103 HH11 ARG 103 31.357 -1.468 -4.261 883 HH12 ARG 103 HH12 ARG 103 32.818 -2.379 -4.460 884 HH21 ARG 103 HH21 ARG 103 32.411 -4.222 -1.500 885 HH22 ARG 103 HH22 ARG 103 33.428 -3.949 -2.880 886 H GLY 104 HN GLY 104 27.497 -2.636 2.908 887 HA2 GLY 104 HA2 GLY 104 26.725 -4.404 4.295 888 HA3 GLY 104 HA1 GLY 104 26.480 -5.389 2.858 889 H ASP 105 HN ASP 105 29.349 -3.793 2.561 890 HA ASP 105 HA ASP 105 30.840 -6.215 3.103 891 HB2 ASP 105 HB2 ASP 105 31.720 -3.555 1.958 892 HB3 ASP 105 HB1 ASP 105 32.750 -4.974 2.107 893 H GLN 106 HN GLN 106 30.355 -3.061 4.484 894 HA GLN 106 HA GLN 106 32.460 -3.499 6.461 895 HB2 GLN 106 HB2 GLN 106 32.274 -1.258 5.541 896 HB3 GLN 106 HB1 GLN 106 30.582 -1.176 6.001 897 HG2 GLN 106 HG2 GLN 106 31.240 -1.283 8.364 898 HG3 GLN 106 HG1 GLN 106 32.934 -1.306 7.873 899 HE21 GLN 106 HE21 GLN 106 30.528 0.577 6.198 900 HE22 GLN 106 HE22 GLN 106 31.097 2.127 6.711 901 H GLU 107 HN GLU 107 28.960 -2.812 6.401 902 HA GLU 107 HA GLU 107 28.662 -3.664 9.152 903 HB2 GLU 107 HB2 GLU 107 26.518 -3.039 7.117 904 HB3 GLU 107 HB1 GLU 107 26.311 -3.146 8.857 905 HG2 GLU 107 HG2 GLU 107 27.669 -1.182 9.185 906 HG3 GLU 107 HG1 GLU 107 28.025 -1.103 7.460 907 H VAL 108 HN VAL 108 28.886 -5.805 9.508 908 HA VAL 108 HA VAL 108 28.106 -7.707 7.478 909 HB VAL 108 HB VAL 108 30.208 -7.918 8.859 910 HG11 VAL 108 HG11 VAL 108 28.272 -8.789 10.998 911 HG12 VAL 108 HG12 VAL 108 29.284 -7.345 11.030 912 HG13 VAL 108 HG13 VAL 108 30.028 -8.943 11.072 913 HG21 VAL 108 HG21 VAL 108 28.319 -10.267 8.869 914 HG22 VAL 108 HG22 VAL 108 30.069 -10.357 9.057 915 HG23 VAL 108 HG23 VAL 108 29.373 -9.780 7.543 916 H PHE 109 HN PHE 109 26.356 -6.078 9.546 917 HA PHE 109 HA PHE 109 24.508 -8.308 10.057 918 HB2 PHE 109 HB2 PHE 109 24.969 -5.869 11.789 919 HB3 PHE 109 HB1 PHE 109 23.692 -7.052 12.045 920 HD1 PHE 109 HD1 PHE 109 26.713 -6.057 13.252 921 HD2 PHE 109 HD2 PHE 109 24.755 -9.596 11.933 922 HE1 PHE 109 HE1 PHE 109 28.252 -7.410 14.612 923 HE2 PHE 109 HE2 PHE 109 26.286 -10.956 13.294 924 HZ PHE 109 HZ PHE 109 28.039 -9.863 14.635 925 H VAL 110 HN VAL 110 22.313 -7.902 9.749 926 HA VAL 110 HA VAL 110 21.769 -5.672 7.942 927 HB VAL 110 HB VAL 110 19.962 -7.994 8.640 928 HG11 VAL 110 HG11 VAL 110 18.786 -7.386 6.580 929 HG12 VAL 110 HG12 VAL 110 19.879 -6.019 6.360 930 HG13 VAL 110 HG13 VAL 110 18.784 -6.061 7.742 931 HG21 VAL 110 HG21 VAL 110 22.012 -8.827 7.632 932 HG22 VAL 110 HG22 VAL 110 21.840 -7.685 6.301 933 HG23 VAL 110 HG23 VAL 110 20.662 -8.980 6.507 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 2.065 11.270 -9.667 2 H2 MET 1 HT2 MET 1 2.894 12.410 -8.730 3 H3 MET 1 HT3 MET 1 2.228 12.859 -10.218 4 HA MET 1 HA MET 1 0.924 13.639 -8.331 5 HB2 MET 1 HB2 MET 1 -0.122 13.225 -10.520 6 HB3 MET 1 HB1 MET 1 -0.423 11.557 -10.060 7 HG2 MET 1 HG2 MET 1 -1.909 12.306 -8.285 8 HG3 MET 1 HG1 MET 1 -1.592 13.984 -8.721 9 HE1 MET 1 HE1 MET 1 -2.054 10.940 -11.222 10 HE2 MET 1 HE2 MET 1 -3.804 10.977 -11.438 11 HE3 MET 1 HE3 MET 1 -3.118 10.578 -9.863 12 H ILE 2 HN ILE 2 0.051 13.248 -6.357 13 HA ILE 2 HA ILE 2 0.260 10.504 -5.336 14 HB ILE 2 HB ILE 2 -0.094 11.612 -3.077 15 HG12 ILE 2 HG12 ILE 2 0.497 14.124 -4.665 16 HG13 ILE 2 HG11 ILE 2 -1.057 13.731 -3.937 17 HG21 ILE 2 HG21 ILE 2 2.233 12.349 -2.915 18 HG22 ILE 2 HG22 ILE 2 2.339 12.398 -4.675 19 HG23 ILE 2 HG23 ILE 2 2.088 10.861 -3.850 20 HD11 ILE 2 HD11 ILE 2 0.177 15.321 -2.586 21 HD12 ILE 2 HD12 ILE 2 1.524 14.188 -2.459 22 HD13 ILE 2 HD13 ILE 2 -0.031 13.797 -1.725 23 H ARG 3 HN ARG 3 -1.603 9.442 -5.840 24 HA ARG 3 HA ARG 3 -4.114 10.609 -4.960 25 HB2 ARG 3 HB2 ARG 3 -3.316 9.627 -7.623 26 HB3 ARG 3 HB1 ARG 3 -4.927 9.347 -7.087 27 HG2 ARG 3 HG2 ARG 3 -3.676 12.056 -7.114 28 HG3 ARG 3 HG1 ARG 3 -4.594 11.407 -8.476 29 HD2 ARG 3 HD2 ARG 3 -5.602 11.899 -5.676 30 HD3 ARG 3 HD1 ARG 3 -6.040 12.794 -7.131 31 HE ARG 3 HE ARG 3 -6.692 10.187 -7.688 32 HH11 ARG 3 HH11 ARG 3 -7.589 12.514 -5.235 33 HH12 ARG 3 HH12 ARG 3 -9.152 11.812 -4.969 34 HH21 ARG 3 HH21 ARG 3 -8.710 9.254 -7.345 35 HH22 ARG 3 HH22 ARG 3 -9.800 9.945 -6.174 36 H PHE 4 HN PHE 4 -5.821 9.054 -4.951 37 HA PHE 4 HA PHE 4 -5.012 6.271 -4.608 38 HB2 PHE 4 HB2 PHE 4 -6.538 6.053 -2.733 39 HB3 PHE 4 HB1 PHE 4 -5.403 7.362 -2.441 40 HD1 PHE 4 HD1 PHE 4 -6.159 9.731 -2.712 41 HD2 PHE 4 HD2 PHE 4 -8.858 6.443 -2.670 42 HE1 PHE 4 HE1 PHE 4 -8.010 11.257 -2.183 43 HE2 PHE 4 HE2 PHE 4 -10.714 7.967 -2.146 44 HZ PHE 4 HZ PHE 4 -10.289 10.378 -1.904 45 H GLU 5 HN GLU 5 -5.949 5.070 -6.102 46 HA GLU 5 HA GLU 5 -8.461 6.042 -7.294 47 HB2 GLU 5 HB2 GLU 5 -6.218 4.497 -8.626 48 HB3 GLU 5 HB1 GLU 5 -7.723 4.969 -9.401 49 HG2 GLU 5 HG2 GLU 5 -5.741 6.924 -8.263 50 HG3 GLU 5 HG1 GLU 5 -5.759 6.404 -9.945 51 H ILE 6 HN ILE 6 -9.753 4.943 -6.008 52 HA ILE 6 HA ILE 6 -9.337 2.064 -5.660 53 HB ILE 6 HB ILE 6 -11.128 4.031 -4.237 54 HG12 ILE 6 HG12 ILE 6 -8.630 2.702 -3.195 55 HG13 ILE 6 HG11 ILE 6 -8.646 4.304 -3.924 56 HG21 ILE 6 HG21 ILE 6 -11.543 2.263 -2.598 57 HG22 ILE 6 HG22 ILE 6 -10.499 1.162 -3.490 58 HG23 ILE 6 HG23 ILE 6 -12.019 1.696 -4.203 59 HD11 ILE 6 HD11 ILE 6 -10.305 4.971 -2.172 60 HD12 ILE 6 HD12 ILE 6 -8.684 4.596 -1.591 61 HD13 ILE 6 HD13 ILE 6 -9.986 3.421 -1.389 62 H HIS 7 HN HIS 7 -10.845 0.641 -6.219 63 HA HIS 7 HA HIS 7 -13.500 1.566 -7.124 64 HB2 HIS 7 HB2 HIS 7 -11.690 -0.498 -8.316 65 HB3 HIS 7 HB1 HIS 7 -13.433 -0.713 -8.394 66 HD1 HIS 7 HD1 HIS 7 -11.361 -0.119 -10.828 67 HD2 HIS 7 HD2 HIS 7 -14.055 2.523 -9.089 68 HE1 HIS 7 HE1 HIS 7 -11.800 1.641 -12.567 69 HE2 HIS 7 HE2 HIS 7 -13.455 3.217 -11.505 70 H GLY 8 HN GLY 8 -14.481 1.112 -5.100 71 HA2 GLY 8 HA2 GLY 8 -13.720 -1.506 -4.147 72 HA3 GLY 8 HA1 GLY 8 -14.409 -0.275 -3.100 73 H ASP 9 HN ASP 9 -15.013 -2.947 -5.158 74 HA ASP 9 HA ASP 9 -17.866 -2.499 -5.387 75 HB2 ASP 9 HB2 ASP 9 -16.176 -4.881 -6.184 76 HB3 ASP 9 HB1 ASP 9 -17.893 -4.705 -6.524 77 H ASN 10 HN ASN 10 -18.180 -2.370 -3.079 78 HA ASN 10 HA ASN 10 -18.609 -5.046 -1.926 79 HB2 ASN 10 HB2 ASN 10 -16.922 -3.949 -0.585 80 HB3 ASN 10 HB1 ASN 10 -17.881 -2.476 -0.497 81 HD21 ASN 10 HD21 ASN 10 -17.853 -2.501 1.757 82 HD22 ASN 10 HD22 ASN 10 -18.792 -3.626 2.675 83 H LEU 11 HN LEU 11 -19.719 -2.000 -0.591 84 HA LEU 11 HA LEU 11 -22.436 -2.544 -1.531 85 HB2 LEU 11 HB2 LEU 11 -21.642 -2.059 1.345 86 HB3 LEU 11 HB1 LEU 11 -23.293 -2.019 0.761 87 HG LEU 11 HG LEU 11 -21.508 -4.451 0.634 88 HD11 LEU 11 HD11 LEU 11 -22.001 -3.829 2.948 89 HD12 LEU 11 HD12 LEU 11 -22.838 -5.310 2.485 90 HD13 LEU 11 HD13 LEU 11 -23.723 -3.787 2.571 91 HD21 LEU 11 HD21 LEU 11 -23.239 -4.430 -1.074 92 HD22 LEU 11 HD22 LEU 11 -24.464 -4.088 0.148 93 HD23 LEU 11 HD23 LEU 11 -23.610 -5.630 0.165 94 H THR 12 HN THR 12 -21.576 -0.273 0.981 95 HA THR 12 HA THR 12 -22.168 1.906 -0.888 96 HB THR 12 HB THR 12 -22.406 3.197 1.371 97 HG1 THR 12 HG1 THR 12 -23.307 1.526 2.935 98 HG21 THR 12 HG21 THR 12 -24.428 1.133 0.498 99 HG22 THR 12 HG22 THR 12 -24.263 2.764 -0.148 100 HG23 THR 12 HG23 THR 12 -24.767 2.524 1.524 101 H ILE 13 HN ILE 13 -20.080 2.110 -1.756 102 HA ILE 13 HA ILE 13 -17.872 2.712 0.003 103 HB ILE 13 HB ILE 13 -17.330 1.557 -2.033 104 HG12 ILE 13 HG12 ILE 13 -16.366 4.421 -2.205 105 HG13 ILE 13 HG11 ILE 13 -15.667 3.164 -1.191 106 HG21 ILE 13 HG21 ILE 13 -19.168 2.224 -3.437 107 HG22 ILE 13 HG22 ILE 13 -17.645 2.569 -4.257 108 HG23 ILE 13 HG23 ILE 13 -18.559 3.877 -3.508 109 HD11 ILE 13 HD11 ILE 13 -15.744 3.163 -4.199 110 HD12 ILE 13 HD12 ILE 13 -15.034 1.909 -3.182 111 HD13 ILE 13 HD13 ILE 13 -14.345 3.532 -3.191 112 H THR 14 HN THR 14 -18.983 4.397 1.120 113 HA THR 14 HA THR 14 -19.786 6.761 -0.302 114 HB THR 14 HB THR 14 -20.280 7.621 2.014 115 HG1 THR 14 HG1 THR 14 -20.320 5.622 3.518 116 HG21 THR 14 HG21 THR 14 -21.473 4.955 1.252 117 HG22 THR 14 HG22 THR 14 -21.999 6.532 0.665 118 HG23 THR 14 HG23 THR 14 -22.189 6.117 2.369 119 H ASP 15 HN ASP 15 -19.113 8.922 0.827 120 HA ASP 15 HA ASP 15 -16.374 9.318 0.284 121 HB2 ASP 15 HB2 ASP 15 -18.327 11.113 1.736 122 HB3 ASP 15 HB1 ASP 15 -16.744 11.610 1.146 123 H ALA 16 HN ALA 16 -18.090 8.437 3.112 124 HA ALA 16 HA ALA 16 -16.416 9.005 5.225 125 HB1 ALA 16 HB1 ALA 16 -18.587 7.797 5.334 126 HB2 ALA 16 HB2 ALA 16 -17.309 7.012 6.264 127 HB3 ALA 16 HB3 ALA 16 -17.770 6.368 4.680 128 H ILE 17 HN ILE 17 -16.374 6.068 3.281 129 HA ILE 17 HA ILE 17 -13.974 5.016 4.351 130 HB ILE 17 HB ILE 17 -15.549 4.455 1.873 131 HG12 ILE 17 HG12 ILE 17 -15.797 2.203 3.235 132 HG13 ILE 17 HG11 ILE 17 -15.342 3.227 4.595 133 HG21 ILE 17 HG21 ILE 17 -13.245 3.867 1.383 134 HG22 ILE 17 HG22 ILE 17 -14.208 2.402 1.574 135 HG23 ILE 17 HG23 ILE 17 -13.142 2.931 2.874 136 HD11 ILE 17 HD11 ILE 17 -17.256 4.628 4.229 137 HD12 ILE 17 HD12 ILE 17 -17.773 2.948 4.341 138 HD13 ILE 17 HD13 ILE 17 -17.678 3.739 2.768 139 H ARG 18 HN ARG 18 -14.815 6.793 1.433 140 HA ARG 18 HA ARG 18 -12.398 6.671 0.139 141 HB2 ARG 18 HB2 ARG 18 -14.326 9.008 0.232 142 HB3 ARG 18 HB1 ARG 18 -13.021 8.838 -0.932 143 HG2 ARG 18 HG2 ARG 18 -14.056 6.849 -1.847 144 HG3 ARG 18 HG1 ARG 18 -15.341 6.942 -0.640 145 HD2 ARG 18 HD2 ARG 18 -16.004 9.135 -1.555 146 HD3 ARG 18 HD1 ARG 18 -14.750 8.985 -2.783 147 HE ARG 18 HE ARG 18 -16.069 6.804 -3.311 148 HH11 ARG 18 HH11 ARG 18 -17.421 9.928 -2.434 149 HH12 ARG 18 HH12 ARG 18 -18.886 9.673 -3.330 150 HH21 ARG 18 HH21 ARG 18 -17.996 6.478 -4.477 151 HH22 ARG 18 HH22 ARG 18 -19.216 7.712 -4.484 152 H ASN 19 HN ASN 19 -13.601 9.033 2.477 153 HA ASN 19 HA ASN 19 -11.235 10.445 2.952 154 HB2 ASN 19 HB2 ASN 19 -13.792 10.021 4.378 155 HB3 ASN 19 HB1 ASN 19 -12.440 10.520 5.385 156 HD21 ASN 19 HD21 ASN 19 -13.443 12.503 5.791 157 HD22 ASN 19 HD22 ASN 19 -13.494 13.757 4.604 158 H TYR 20 HN TYR 20 -12.588 7.645 4.699 159 HA TYR 20 HA TYR 20 -10.716 7.147 6.613 160 HB2 TYR 20 HB2 TYR 20 -12.802 5.776 6.027 161 HB3 TYR 20 HB1 TYR 20 -11.816 4.969 4.820 162 HD1 TYR 20 HD1 TYR 20 -13.210 4.439 7.845 163 HD2 TYR 20 HD2 TYR 20 -9.364 4.264 6.035 164 HE1 TYR 20 HE1 TYR 20 -12.495 2.794 9.529 165 HE2 TYR 20 HE2 TYR 20 -8.642 2.625 7.712 166 HH TYR 20 HH TYR 20 -10.758 0.972 9.714 167 H ILE 21 HN ILE 21 -10.428 6.454 3.147 168 HA ILE 21 HA ILE 21 -7.973 4.934 3.559 169 HB ILE 21 HB ILE 21 -9.428 5.713 1.042 170 HG12 ILE 21 HG12 ILE 21 -10.838 4.266 2.425 171 HG13 ILE 21 HG11 ILE 21 -10.279 3.385 1.009 172 HG21 ILE 21 HG21 ILE 21 -7.158 5.205 0.519 173 HG22 ILE 21 HG22 ILE 21 -8.104 3.786 0.067 174 HG23 ILE 21 HG23 ILE 21 -7.167 3.781 1.560 175 HD11 ILE 21 HD11 ILE 21 -9.185 3.148 3.804 176 HD12 ILE 21 HD12 ILE 21 -8.565 2.294 2.389 177 HD13 ILE 21 HD13 ILE 21 -10.202 1.976 2.966 178 H GLU 22 HN GLU 22 -9.259 7.951 2.582 179 HA GLU 22 HA GLU 22 -7.066 8.884 1.164 180 HB2 GLU 22 HB2 GLU 22 -9.304 9.930 1.030 181 HB3 GLU 22 HB1 GLU 22 -9.112 10.501 2.680 182 HG2 GLU 22 HG2 GLU 22 -7.226 11.888 1.978 183 HG3 GLU 22 HG1 GLU 22 -7.429 11.320 0.322 184 H GLU 23 HN GLU 23 -8.009 8.857 4.453 185 HA GLU 23 HA GLU 23 -5.860 10.460 5.474 186 HB2 GLU 23 HB2 GLU 23 -7.531 8.523 7.059 187 HB3 GLU 23 HB1 GLU 23 -6.781 10.017 7.602 188 HG2 GLU 23 HG2 GLU 23 -8.339 11.312 6.275 189 HG3 GLU 23 HG1 GLU 23 -9.067 9.820 5.640 190 H LYS 24 HN LYS 24 -6.671 6.981 5.416 191 HA LYS 24 HA LYS 24 -4.382 6.027 6.696 192 HB2 LYS 24 HB2 LYS 24 -6.262 4.581 6.164 193 HB3 LYS 24 HB1 LYS 24 -5.980 4.791 4.442 194 HG2 LYS 24 HG2 LYS 24 -3.904 3.586 4.583 195 HG3 LYS 24 HG1 LYS 24 -4.045 3.480 6.338 196 HD2 LYS 24 HD2 LYS 24 -6.161 2.354 4.528 197 HD3 LYS 24 HD1 LYS 24 -4.716 1.429 4.933 198 HE2 LYS 24 HE2 LYS 24 -6.511 2.642 7.021 199 HE3 LYS 24 HE1 LYS 24 -6.768 1.024 6.373 200 HZ1 LYS 24 HZ1 LYS 24 -4.165 1.815 7.536 201 HZ2 LYS 24 HZ2 LYS 24 -4.785 0.252 7.303 202 HZ3 LYS 24 HZ3 LYS 24 -5.427 1.250 8.508 203 H ILE 25 HN ILE 25 -4.887 6.282 3.170 204 HA ILE 25 HA ILE 25 -2.238 5.768 2.412 205 HB ILE 25 HB ILE 25 -4.319 7.415 0.963 206 HG12 ILE 25 HG12 ILE 25 -5.084 5.140 1.379 207 HG13 ILE 25 HG11 ILE 25 -4.719 5.349 -0.329 208 HG21 ILE 25 HG21 ILE 25 -1.786 6.163 -0.089 209 HG22 ILE 25 HG22 ILE 25 -2.091 7.888 0.113 210 HG23 ILE 25 HG23 ILE 25 -3.022 6.960 -1.064 211 HD11 ILE 25 HD11 ILE 25 -3.044 3.932 1.724 212 HD12 ILE 25 HD12 ILE 25 -2.536 4.243 0.064 213 HD13 ILE 25 HD13 ILE 25 -3.931 3.211 0.383 214 H GLY 26 HN GLY 26 -3.912 8.795 3.173 215 HA2 GLY 26 HA2 GLY 26 -1.817 10.561 2.607 216 HA3 GLY 26 HA1 GLY 26 -3.083 10.835 3.792 217 H LYS 27 HN LYS 27 -2.321 8.441 5.387 218 HA LYS 27 HA LYS 27 -0.357 9.863 6.945 219 HB2 LYS 27 HB2 LYS 27 -2.310 7.738 7.446 220 HB3 LYS 27 HB1 LYS 27 -0.798 7.550 8.319 221 HG2 LYS 27 HG2 LYS 27 -2.502 8.748 9.619 222 HG3 LYS 27 HG1 LYS 27 -1.067 9.728 9.327 223 HD2 LYS 27 HD2 LYS 27 -2.231 10.868 7.490 224 HD3 LYS 27 HD1 LYS 27 -3.667 9.892 7.804 225 HE2 LYS 27 HE2 LYS 27 -2.387 11.785 9.771 226 HE3 LYS 27 HE1 LYS 27 -3.805 12.150 8.791 227 HZ1 LYS 27 HZ1 LYS 27 -3.645 9.945 10.772 228 HZ2 LYS 27 HZ2 LYS 27 -5.013 10.408 9.895 229 HZ3 LYS 27 HZ3 LYS 27 -4.363 11.447 11.060 230 H LEU 28 HN LEU 28 -0.695 7.046 4.965 231 HA LEU 28 HA LEU 28 1.885 5.998 5.443 232 HB2 LEU 28 HB2 LEU 28 0.320 5.828 2.894 233 HB3 LEU 28 HB1 LEU 28 1.549 4.707 3.473 234 HG LEU 28 HG LEU 28 -1.035 5.283 4.878 235 HD11 LEU 28 HD11 LEU 28 -1.324 4.107 2.679 236 HD12 LEU 28 HD12 LEU 28 -1.821 3.135 4.063 237 HD13 LEU 28 HD13 LEU 28 -0.275 2.821 3.272 238 HD21 LEU 28 HD21 LEU 28 -0.454 3.270 6.176 239 HD22 LEU 28 HD22 LEU 28 0.706 4.579 6.379 240 HD23 LEU 28 HD23 LEU 28 1.100 3.206 5.348 241 H GLU 29 HN GLU 29 0.578 8.301 3.156 242 HA GLU 29 HA GLU 29 2.907 8.947 1.740 243 HB2 GLU 29 HB2 GLU 29 0.699 9.609 0.982 244 HB3 GLU 29 HB1 GLU 29 0.463 10.594 2.417 245 HG2 GLU 29 HG2 GLU 29 2.816 11.522 1.211 246 HG3 GLU 29 HG1 GLU 29 1.644 11.290 -0.088 247 H ARG 30 HN ARG 30 1.635 10.051 4.827 248 HA ARG 30 HA ARG 30 3.394 12.172 5.234 249 HB2 ARG 30 HB2 ARG 30 1.956 10.477 7.140 250 HB3 ARG 30 HB1 ARG 30 2.909 11.833 7.668 251 HG2 ARG 30 HG2 ARG 30 0.538 11.963 5.813 252 HG3 ARG 30 HG1 ARG 30 0.509 12.341 7.534 253 HD2 ARG 30 HD2 ARG 30 0.663 14.406 6.383 254 HD3 ARG 30 HD1 ARG 30 2.251 14.088 7.074 255 HE ARG 30 HE ARG 30 1.737 13.375 4.274 256 HH11 ARG 30 HH11 ARG 30 3.364 15.388 6.628 257 HH12 ARG 30 HH12 ARG 30 4.509 16.011 5.486 258 HH21 ARG 30 HH21 ARG 30 3.213 14.187 2.774 259 HH22 ARG 30 HH22 ARG 30 4.427 15.327 3.279 260 H TYR 31 HN TYR 31 4.087 8.844 5.285 261 HA TYR 31 HA TYR 31 6.351 8.998 7.013 262 HB2 TYR 31 HB2 TYR 31 5.575 7.043 4.850 263 HB3 TYR 31 HB1 TYR 31 7.093 6.913 5.729 264 HD1 TYR 31 HD1 TYR 31 6.551 7.364 8.440 265 HD2 TYR 31 HD2 TYR 31 4.042 5.459 5.583 266 HE1 TYR 31 HE1 TYR 31 5.459 6.114 10.246 267 HE2 TYR 31 HE2 TYR 31 2.935 4.204 7.389 268 HH TYR 31 HH TYR 31 3.556 3.432 9.748 269 H PHE 32 HN PHE 32 5.686 10.172 3.909 270 HA PHE 32 HA PHE 32 8.533 10.346 3.231 271 HB2 PHE 32 HB2 PHE 32 6.389 10.904 1.265 272 HB3 PHE 32 HB1 PHE 32 7.961 10.192 1.037 273 HD1 PHE 32 HD1 PHE 32 8.053 7.843 2.658 274 HD2 PHE 32 HD2 PHE 32 4.780 9.452 0.470 275 HE1 PHE 32 HE1 PHE 32 7.067 5.598 2.485 276 HE2 PHE 32 HE2 PHE 32 3.783 7.212 0.306 277 HZ PHE 32 HZ PHE 32 4.928 5.282 1.314 278 H ASN 33 HN ASN 33 9.242 12.367 2.357 279 HA ASN 33 HA ASN 33 7.210 14.459 2.451 280 HB2 ASN 33 HB2 ASN 33 8.960 16.124 3.020 281 HB3 ASN 33 HB1 ASN 33 8.779 14.893 4.262 282 HD21 ASN 33 HD21 ASN 33 10.846 16.264 1.875 283 HD22 ASN 33 HD22 ASN 33 12.266 15.364 2.284 284 H ASP 34 HN ASP 34 9.834 13.032 0.726 285 HA ASP 34 HA ASP 34 9.809 14.990 -1.298 286 HB2 ASP 34 HB2 ASP 34 11.432 12.504 -0.948 287 HB3 ASP 34 HB1 ASP 34 11.547 13.510 -2.384 288 H VAL 35 HN VAL 35 7.406 13.441 -0.894 289 HA VAL 35 HA VAL 35 7.390 11.638 -3.189 290 HB VAL 35 HB VAL 35 6.671 10.647 -1.095 291 HG11 VAL 35 HG11 VAL 35 5.779 12.574 0.051 292 HG12 VAL 35 HG12 VAL 35 4.556 11.306 -0.032 293 HG13 VAL 35 HG13 VAL 35 4.462 12.691 -1.117 294 HG21 VAL 35 HG21 VAL 35 5.731 9.776 -3.146 295 HG22 VAL 35 HG22 VAL 35 4.427 10.960 -3.079 296 HG23 VAL 35 HG23 VAL 35 4.538 9.700 -1.850 297 HA PRO 36 HA PRO 36 4.643 14.583 -5.190 298 HB2 PRO 36 HB2 PRO 36 5.800 14.529 -7.595 299 HB3 PRO 36 HB1 PRO 36 6.507 15.450 -6.264 300 HG2 PRO 36 HG2 PRO 36 7.398 12.906 -7.476 301 HG3 PRO 36 HG1 PRO 36 8.341 14.139 -6.626 302 HD2 PRO 36 HD2 PRO 36 7.306 11.673 -5.585 303 HD3 PRO 36 HD1 PRO 36 8.235 12.917 -4.725 304 H ASN 37 HN ASN 37 5.334 11.287 -5.510 305 HA ASN 37 HA ASN 37 2.928 10.868 -7.085 306 HB2 ASN 37 HB2 ASN 37 4.018 9.320 -8.639 307 HB3 ASN 37 HB1 ASN 37 4.709 10.931 -8.765 308 HD21 ASN 37 HD21 ASN 37 5.289 7.642 -8.124 309 HD22 ASN 37 HD22 ASN 37 6.986 7.766 -7.823 310 H ALA 38 HN ALA 38 1.730 9.428 -6.176 311 HA ALA 38 HA ALA 38 2.651 6.933 -5.138 312 HB1 ALA 38 HB1 ALA 38 3.288 8.373 -3.243 313 HB2 ALA 38 HB2 ALA 38 1.969 7.288 -2.804 314 HB3 ALA 38 HB3 ALA 38 1.637 8.983 -3.153 315 H VAL 39 HN VAL 39 0.996 5.615 -5.747 316 HA VAL 39 HA VAL 39 -1.696 6.746 -5.868 317 HB VAL 39 HB VAL 39 -0.053 5.091 -7.712 318 HG11 VAL 39 HG11 VAL 39 -1.874 4.001 -8.726 319 HG12 VAL 39 HG12 VAL 39 -3.038 4.866 -7.719 320 HG13 VAL 39 HG13 VAL 39 -1.950 3.673 -6.988 321 HG21 VAL 39 HG21 VAL 39 -1.226 6.395 -9.407 322 HG22 VAL 39 HG22 VAL 39 -0.450 7.422 -8.203 323 HG23 VAL 39 HG23 VAL 39 -2.195 7.159 -8.146 324 H ALA 40 HN ALA 40 -3.408 5.340 -5.245 325 HA ALA 40 HA ALA 40 -2.670 2.608 -4.356 326 HB1 ALA 40 HB1 ALA 40 -3.058 3.891 -2.336 327 HB2 ALA 40 HB2 ALA 40 -4.429 2.807 -2.596 328 HB3 ALA 40 HB3 ALA 40 -4.573 4.523 -2.978 329 H HIS 41 HN HIS 41 -3.336 1.859 -6.366 330 HA HIS 41 HA HIS 41 -6.097 2.201 -7.196 331 HB2 HIS 41 HB2 HIS 41 -4.249 1.955 -8.859 332 HB3 HIS 41 HB1 HIS 41 -3.959 0.331 -8.254 333 HD1 HIS 41 HD1 HIS 41 -5.773 -1.486 -8.808 334 HD2 HIS 41 HD2 HIS 41 -6.393 2.218 -10.591 335 HE1 HIS 41 HE1 HIS 41 -7.480 -1.877 -10.607 336 HE2 HIS 41 HE2 HIS 41 -7.961 0.406 -11.556 337 H VAL 42 HN VAL 42 -7.510 1.231 -5.775 338 HA VAL 42 HA VAL 42 -6.793 -1.488 -4.817 339 HB VAL 42 HB VAL 42 -7.564 1.043 -3.441 340 HG11 VAL 42 HG11 VAL 42 -9.445 -0.444 -3.052 341 HG12 VAL 42 HG12 VAL 42 -8.521 -0.146 -1.577 342 HG13 VAL 42 HG13 VAL 42 -8.340 -1.674 -2.445 343 HG21 VAL 42 HG21 VAL 42 -5.921 -1.368 -2.798 344 HG22 VAL 42 HG22 VAL 42 -6.071 0.038 -1.736 345 HG23 VAL 42 HG23 VAL 42 -5.295 0.209 -3.326 346 H LYS 43 HN LYS 43 -8.463 -2.838 -4.576 347 HA LYS 43 HA LYS 43 -11.150 -1.989 -5.348 348 HB2 LYS 43 HB2 LYS 43 -9.966 -2.269 -7.517 349 HB3 LYS 43 HB1 LYS 43 -9.636 -3.937 -7.109 350 HG2 LYS 43 HG2 LYS 43 -11.963 -4.491 -7.184 351 HG3 LYS 43 HG1 LYS 43 -12.399 -2.790 -7.386 352 HD2 LYS 43 HD2 LYS 43 -11.006 -2.813 -9.491 353 HD3 LYS 43 HD1 LYS 43 -10.924 -4.564 -9.318 354 HE2 LYS 43 HE2 LYS 43 -13.474 -2.972 -9.527 355 HE3 LYS 43 HE1 LYS 43 -12.695 -3.801 -10.872 356 HZ1 LYS 43 HZ1 LYS 43 -13.809 -5.063 -8.431 357 HZ2 LYS 43 HZ2 LYS 43 -12.972 -5.893 -9.648 358 HZ3 LYS 43 HZ3 LYS 43 -14.448 -5.146 -9.993 359 H VAL 44 HN VAL 44 -12.350 -2.846 -4.024 360 HA VAL 44 HA VAL 44 -11.837 -5.528 -2.962 361 HB VAL 44 HB VAL 44 -12.251 -3.457 -1.451 362 HG11 VAL 44 HG11 VAL 44 -14.574 -2.892 -1.081 363 HG12 VAL 44 HG12 VAL 44 -15.045 -4.023 -2.358 364 HG13 VAL 44 HG13 VAL 44 -14.087 -2.590 -2.756 365 HG21 VAL 44 HG21 VAL 44 -13.438 -4.778 0.185 366 HG22 VAL 44 HG22 VAL 44 -12.311 -5.816 -0.687 367 HG23 VAL 44 HG23 VAL 44 -14.029 -5.863 -1.073 368 H LYS 45 HN LYS 45 -13.737 -6.900 -2.779 369 HA LYS 45 HA LYS 45 -15.938 -6.506 -4.616 370 HB2 LYS 45 HB2 LYS 45 -13.786 -8.607 -5.080 371 HB3 LYS 45 HB1 LYS 45 -15.335 -8.589 -5.910 372 HG2 LYS 45 HG2 LYS 45 -14.764 -6.709 -7.168 373 HG3 LYS 45 HG1 LYS 45 -13.453 -6.263 -6.075 374 HD2 LYS 45 HD2 LYS 45 -13.483 -8.717 -7.835 375 HD3 LYS 45 HD1 LYS 45 -12.652 -7.210 -8.219 376 HE2 LYS 45 HE2 LYS 45 -11.337 -7.478 -6.116 377 HE3 LYS 45 HE1 LYS 45 -12.092 -9.054 -5.897 378 HZ1 LYS 45 HZ1 LYS 45 -11.152 -9.672 -8.105 379 HZ2 LYS 45 HZ2 LYS 45 -9.994 -9.388 -6.910 380 HZ3 LYS 45 HZ3 LYS 45 -10.279 -8.216 -8.097 381 H THR 46 HN THR 46 -17.559 -7.250 -3.383 382 HA THR 46 HA THR 46 -17.550 -9.972 -2.474 383 HB THR 46 HB THR 46 -16.362 -9.035 -0.600 384 HG1 THR 46 HG1 THR 46 -18.165 -9.355 1.041 385 HG21 THR 46 HG21 THR 46 -17.449 -7.300 0.819 386 HG22 THR 46 HG22 THR 46 -18.640 -7.072 -0.460 387 HG23 THR 46 HG23 THR 46 -16.940 -6.719 -0.765 388 H TYR 47 HN TYR 47 -19.616 -10.716 -1.979 389 HA TYR 47 HA TYR 47 -21.709 -8.717 -1.571 390 HB2 TYR 47 HB2 TYR 47 -21.785 -9.672 -3.957 391 HB3 TYR 47 HB1 TYR 47 -22.229 -11.204 -3.209 392 HD1 TYR 47 HD1 TYR 47 -24.487 -11.672 -2.893 393 HD2 TYR 47 HD2 TYR 47 -23.253 -7.617 -3.245 394 HE1 TYR 47 HE1 TYR 47 -26.839 -10.956 -2.838 395 HE2 TYR 47 HE2 TYR 47 -25.598 -6.891 -3.191 396 HH TYR 47 HH TYR 47 -27.803 -7.746 -3.605 397 H SER 48 HN SER 48 -20.873 -9.390 0.548 398 HA SER 48 HA SER 48 -22.491 -11.180 1.941 399 HB2 SER 48 HB2 SER 48 -21.318 -12.958 0.736 400 HB3 SER 48 HB1 SER 48 -19.761 -12.279 1.204 401 HG SER 48 HG SER 48 -20.822 -14.122 2.471 402 H ASN 49 HN ASN 49 -22.014 -11.156 4.166 403 HA ASN 49 HA ASN 49 -20.335 -8.949 4.996 404 HB2 ASN 49 HB2 ASN 49 -21.332 -9.193 7.156 405 HB3 ASN 49 HB1 ASN 49 -22.619 -9.435 5.982 406 HD21 ASN 49 HD21 ASN 49 -23.430 -11.539 5.660 407 HD22 ASN 49 HD22 ASN 49 -23.195 -12.788 6.834 408 H SER 50 HN SER 50 -19.798 -12.115 4.303 409 HA SER 50 HA SER 50 -17.794 -12.469 6.389 410 HB2 SER 50 HB2 SER 50 -18.865 -14.542 4.471 411 HB3 SER 50 HB1 SER 50 -17.835 -14.843 5.871 412 HG SER 50 HG SER 50 -19.584 -13.948 7.158 413 H ALA 51 HN ALA 51 -17.789 -11.000 3.735 414 HA ALA 51 HA ALA 51 -15.116 -11.866 2.926 415 HB1 ALA 51 HB1 ALA 51 -17.515 -12.131 1.258 416 HB2 ALA 51 HB2 ALA 51 -15.955 -12.956 1.146 417 HB3 ALA 51 HB3 ALA 51 -16.147 -11.315 0.487 418 H THR 52 HN THR 52 -13.840 -10.210 2.181 419 HA THR 52 HA THR 52 -15.101 -8.354 0.611 420 HB THR 52 HB THR 52 -13.134 -6.857 2.004 421 HG1 THR 52 HG1 THR 52 -14.626 -8.557 3.375 422 HG21 THR 52 HG21 THR 52 -16.139 -6.525 1.971 423 HG22 THR 52 HG22 THR 52 -15.057 -5.896 0.733 424 HG23 THR 52 HG23 THR 52 -14.962 -5.282 2.382 425 H LYS 53 HN LYS 53 -14.029 -9.330 -1.182 426 HA LYS 53 HA LYS 53 -11.256 -10.078 -0.892 427 HB2 LYS 53 HB2 LYS 53 -12.798 -11.454 -2.223 428 HB3 LYS 53 HB1 LYS 53 -13.064 -10.107 -3.319 429 HG2 LYS 53 HG2 LYS 53 -10.626 -10.174 -3.863 430 HG3 LYS 53 HG1 LYS 53 -10.522 -11.660 -2.919 431 HD2 LYS 53 HD2 LYS 53 -12.282 -11.222 -5.328 432 HD3 LYS 53 HD1 LYS 53 -10.766 -12.121 -5.313 433 HE2 LYS 53 HE2 LYS 53 -11.725 -13.726 -3.749 434 HE3 LYS 53 HE1 LYS 53 -13.233 -12.814 -3.724 435 HZ1 LYS 53 HZ1 LYS 53 -12.059 -14.145 -6.100 436 HZ2 LYS 53 HZ2 LYS 53 -13.503 -13.269 -6.076 437 HZ3 LYS 53 HZ3 LYS 53 -13.376 -14.708 -5.204 438 H ILE 54 HN ILE 54 -9.505 -8.960 -1.498 439 HA ILE 54 HA ILE 54 -10.052 -6.344 -2.705 440 HB ILE 54 HB ILE 54 -7.950 -5.623 -1.428 441 HG12 ILE 54 HG12 ILE 54 -7.557 -8.073 -0.648 442 HG13 ILE 54 HG11 ILE 54 -7.278 -6.756 0.480 443 HG21 ILE 54 HG21 ILE 54 -10.562 -6.135 -0.089 444 HG22 ILE 54 HG22 ILE 54 -10.133 -4.781 -1.155 445 HG23 ILE 54 HG23 ILE 54 -9.351 -4.951 0.425 446 HD11 ILE 54 HD11 ILE 54 -9.422 -7.193 1.536 447 HD12 ILE 54 HD12 ILE 54 -8.413 -8.640 1.525 448 HD13 ILE 54 HD13 ILE 54 -9.741 -8.482 0.376 449 H GLU 55 HN GLU 55 -8.398 -5.301 -3.791 450 HA GLU 55 HA GLU 55 -5.950 -6.709 -4.273 451 HB2 GLU 55 HB2 GLU 55 -6.260 -5.954 -6.715 452 HB3 GLU 55 HB1 GLU 55 -6.895 -7.505 -6.220 453 HG2 GLU 55 HG2 GLU 55 -9.099 -6.638 -6.158 454 HG3 GLU 55 HG1 GLU 55 -8.508 -4.990 -6.334 455 H VAL 56 HN VAL 56 -4.667 -5.233 -3.561 456 HA VAL 56 HA VAL 56 -5.206 -2.387 -4.061 457 HB VAL 56 HB VAL 56 -4.517 -2.193 -1.865 458 HG11 VAL 56 HG11 VAL 56 -3.367 -4.904 -2.095 459 HG12 VAL 56 HG12 VAL 56 -5.019 -4.516 -1.626 460 HG13 VAL 56 HG13 VAL 56 -3.673 -4.008 -0.612 461 HG21 VAL 56 HG21 VAL 56 -2.377 -1.531 -3.068 462 HG22 VAL 56 HG22 VAL 56 -1.787 -3.165 -2.787 463 HG23 VAL 56 HG23 VAL 56 -2.128 -2.107 -1.427 464 H THR 57 HN THR 57 -3.729 -1.217 -5.076 465 HA THR 57 HA THR 57 -1.110 -2.372 -5.638 466 HB THR 57 HB THR 57 -2.702 -1.173 -7.954 467 HG1 THR 57 HG1 THR 57 -3.035 -3.584 -6.867 468 HG21 THR 57 HG21 THR 57 -0.952 -2.227 -9.322 469 HG22 THR 57 HG22 THR 57 -0.163 -2.804 -7.857 470 HG23 THR 57 HG23 THR 57 -0.276 -1.073 -8.172 471 H ILE 58 HN ILE 58 0.116 -0.841 -4.874 472 HA ILE 58 HA ILE 58 -0.827 1.975 -4.930 473 HB ILE 58 HB ILE 58 0.386 0.191 -2.820 474 HG12 ILE 58 HG12 ILE 58 -1.944 2.106 -2.704 475 HG13 ILE 58 HG11 ILE 58 -2.072 0.385 -3.039 476 HG21 ILE 58 HG21 ILE 58 0.690 2.164 -1.343 477 HG22 ILE 58 HG22 ILE 58 0.326 3.220 -2.708 478 HG23 ILE 58 HG23 ILE 58 1.766 2.202 -2.740 479 HD11 ILE 58 HD11 ILE 58 -1.048 1.634 -0.499 480 HD12 ILE 58 HD12 ILE 58 -1.149 -0.097 -0.823 481 HD13 ILE 58 HD13 ILE 58 -2.621 0.871 -0.730 482 HA PRO 59 HA PRO 59 3.420 1.985 -6.944 483 HB2 PRO 59 HB2 PRO 59 2.069 4.161 -8.442 484 HB3 PRO 59 HB1 PRO 59 3.020 2.792 -9.049 485 HG2 PRO 59 HG2 PRO 59 0.380 2.849 -9.346 486 HG3 PRO 59 HG1 PRO 59 1.210 1.331 -8.939 487 HD2 PRO 59 HD2 PRO 59 -0.250 3.227 -7.128 488 HD3 PRO 59 HD1 PRO 59 -0.373 1.459 -7.217 489 H LEU 60 HN LEU 60 4.398 2.897 -5.077 490 HA LEU 60 HA LEU 60 4.190 5.768 -4.721 491 HB2 LEU 60 HB2 LEU 60 5.976 3.717 -3.410 492 HB3 LEU 60 HB1 LEU 60 5.685 5.340 -2.881 493 HG LEU 60 HG LEU 60 3.623 3.161 -2.904 494 HD11 LEU 60 HD11 LEU 60 3.842 3.228 -0.465 495 HD12 LEU 60 HD12 LEU 60 5.177 4.370 -0.625 496 HD13 LEU 60 HD13 LEU 60 5.339 2.730 -1.254 497 HD21 LEU 60 HD21 LEU 60 2.625 5.353 -3.183 498 HD22 LEU 60 HD22 LEU 60 3.527 5.960 -1.794 499 HD23 LEU 60 HD23 LEU 60 2.287 4.726 -1.570 500 H LYS 61 HN LYS 61 6.691 6.693 -4.432 501 HA LYS 61 HA LYS 61 7.933 6.634 -6.952 502 HB2 LYS 61 HB2 LYS 61 9.408 6.974 -4.374 503 HB3 LYS 61 HB1 LYS 61 9.778 7.706 -5.929 504 HG2 LYS 61 HG2 LYS 61 7.799 9.140 -5.734 505 HG3 LYS 61 HG1 LYS 61 7.457 8.433 -4.153 506 HD2 LYS 61 HD2 LYS 61 8.616 10.553 -3.895 507 HD3 LYS 61 HD1 LYS 61 9.633 9.230 -3.336 508 HE2 LYS 61 HE2 LYS 61 10.841 9.277 -5.466 509 HE3 LYS 61 HE1 LYS 61 9.822 10.605 -6.016 510 HZ1 LYS 61 HZ1 LYS 61 10.678 11.941 -4.169 511 HZ2 LYS 61 HZ2 LYS 61 11.913 11.438 -5.210 512 HZ3 LYS 61 HZ3 LYS 61 11.703 10.668 -3.719 513 H ASN 62 HN ASN 62 8.831 5.211 -3.876 514 HA ASN 62 HA ASN 62 11.143 4.102 -4.924 515 HB2 ASN 62 HB2 ASN 62 9.871 3.727 -2.324 516 HB3 ASN 62 HB1 ASN 62 11.444 3.083 -2.708 517 HD21 ASN 62 HD21 ASN 62 12.935 4.771 -3.664 518 HD22 ASN 62 HD22 ASN 62 12.975 6.301 -2.848 519 H VAL 63 HN VAL 63 8.111 2.723 -3.828 520 HA VAL 63 HA VAL 63 8.620 0.349 -5.423 521 HB VAL 63 HB VAL 63 9.377 -0.074 -3.135 522 HG11 VAL 63 HG11 VAL 63 6.518 0.397 -2.361 523 HG12 VAL 63 HG12 VAL 63 7.913 1.368 -1.893 524 HG13 VAL 63 HG13 VAL 63 7.754 -0.287 -1.306 525 HG21 VAL 63 HG21 VAL 63 8.111 -2.174 -2.759 526 HG22 VAL 63 HG22 VAL 63 8.651 -1.962 -4.423 527 HG23 VAL 63 HG23 VAL 63 6.967 -1.654 -3.996 528 H THR 64 HN THR 64 6.811 -0.773 -6.038 529 HA THR 64 HA THR 64 4.234 0.624 -5.716 530 HB THR 64 HB THR 64 5.216 -1.146 -7.972 531 HG1 THR 64 HG1 THR 64 5.941 1.150 -7.776 532 HG21 THR 64 HG21 THR 64 3.103 -0.551 -9.102 533 HG22 THR 64 HG22 THR 64 2.558 0.250 -7.630 534 HG23 THR 64 HG23 THR 64 2.834 -1.490 -7.635 535 H LEU 65 HN LEU 65 3.212 -0.443 -4.053 536 HA LEU 65 HA LEU 65 3.562 -3.307 -3.800 537 HB2 LEU 65 HB2 LEU 65 1.969 -1.358 -2.128 538 HB3 LEU 65 HB1 LEU 65 1.918 -3.089 -1.894 539 HG LEU 65 HG LEU 65 4.549 -2.872 -1.769 540 HD11 LEU 65 HD11 LEU 65 4.641 -0.465 -2.216 541 HD12 LEU 65 HD12 LEU 65 5.324 -0.865 -0.629 542 HD13 LEU 65 HD13 LEU 65 3.700 -0.164 -0.756 543 HD21 LEU 65 HD21 LEU 65 3.049 -3.770 -0.063 544 HD22 LEU 65 HD22 LEU 65 2.768 -2.134 0.534 545 HD23 LEU 65 HD23 LEU 65 4.382 -2.843 0.622 546 H ARG 66 HN ARG 66 1.772 -4.727 -3.533 547 HA ARG 66 HA ARG 66 -0.843 -3.924 -4.380 548 HB2 ARG 66 HB2 ARG 66 -0.096 -4.272 -6.572 549 HB3 ARG 66 HB1 ARG 66 0.845 -5.629 -6.078 550 HG2 ARG 66 HG2 ARG 66 -0.869 -7.106 -6.158 551 HG3 ARG 66 HG1 ARG 66 -2.066 -5.861 -5.789 552 HD2 ARG 66 HD2 ARG 66 -2.244 -6.677 -8.103 553 HD3 ARG 66 HD1 ARG 66 -1.869 -4.956 -8.007 554 HE ARG 66 HE ARG 66 0.500 -6.509 -8.240 555 HH11 ARG 66 HH11 ARG 66 -2.205 -5.288 -10.104 556 HH12 ARG 66 HH12 ARG 66 -1.314 -5.224 -11.591 557 HH21 ARG 66 HH21 ARG 66 1.673 -6.423 -10.195 558 HH22 ARG 66 HH22 ARG 66 0.892 -5.869 -11.643 559 H ALA 67 HN ALA 67 -2.315 -5.328 -3.747 560 HA ALA 67 HA ALA 67 -1.498 -7.918 -2.623 561 HB1 ALA 67 HB1 ALA 67 -3.294 -6.325 -0.850 562 HB2 ALA 67 HB2 ALA 67 -1.563 -6.034 -0.797 563 HB3 ALA 67 HB3 ALA 67 -2.193 -7.642 -0.458 564 H GLU 68 HN GLU 68 -2.716 -9.340 -3.536 565 HA GLU 68 HA GLU 68 -5.530 -8.667 -4.102 566 HB2 GLU 68 HB2 GLU 68 -5.305 -10.434 -5.934 567 HB3 GLU 68 HB1 GLU 68 -4.462 -8.915 -6.202 568 HG2 GLU 68 HG2 GLU 68 -2.363 -9.921 -5.559 569 HG3 GLU 68 HG1 GLU 68 -3.179 -11.430 -5.157 570 H GLU 69 HN GLU 69 -6.531 -9.528 -2.340 571 HA GLU 69 HA GLU 69 -6.084 -12.368 -1.732 572 HB2 GLU 69 HB2 GLU 69 -5.010 -10.242 -0.205 573 HB3 GLU 69 HB1 GLU 69 -6.363 -10.880 0.718 574 HG2 GLU 69 HG2 GLU 69 -4.403 -12.001 1.432 575 HG3 GLU 69 HG1 GLU 69 -5.358 -13.145 0.492 576 H ARG 70 HN ARG 70 -7.857 -13.374 -0.664 577 HA ARG 70 HA ARG 70 -10.289 -11.725 -0.582 578 HB2 ARG 70 HB2 ARG 70 -10.498 -13.686 -2.030 579 HB3 ARG 70 HB1 ARG 70 -10.034 -14.736 -0.696 580 HG2 ARG 70 HG2 ARG 70 -12.040 -13.968 0.544 581 HG3 ARG 70 HG1 ARG 70 -12.521 -13.045 -0.877 582 HD2 ARG 70 HD2 ARG 70 -12.770 -15.040 -2.169 583 HD3 ARG 70 HD1 ARG 70 -12.062 -16.020 -0.888 584 HE ARG 70 HE ARG 70 -14.720 -14.759 -0.832 585 HH11 ARG 70 HH11 ARG 70 -12.387 -16.996 0.521 586 HH12 ARG 70 HH12 ARG 70 -13.545 -17.784 1.543 587 HH21 ARG 70 HH21 ARG 70 -16.248 -15.786 0.537 588 HH22 ARG 70 HH22 ARG 70 -15.734 -17.094 1.555 589 H ASN 71 HN ASN 71 -9.820 -10.805 1.426 590 HA ASN 71 HA ASN 71 -9.863 -12.625 3.722 591 HB2 ASN 71 HB2 ASN 71 -9.201 -9.694 3.452 592 HB3 ASN 71 HB1 ASN 71 -9.457 -10.433 5.005 593 HD21 ASN 71 HD21 ASN 71 -7.316 -9.159 4.407 594 HD22 ASN 71 HD22 ASN 71 -6.036 -10.260 4.356 595 H ASP 72 HN ASP 72 -11.305 -12.015 5.546 596 HA ASP 72 HA ASP 72 -13.951 -11.444 4.541 597 HB2 ASP 72 HB2 ASP 72 -14.709 -11.938 6.842 598 HB3 ASP 72 HB1 ASP 72 -13.717 -13.228 6.176 599 H ASP 73 HN ASP 73 -11.383 -9.712 5.880 600 HA ASP 73 HA ASP 73 -13.077 -7.291 5.961 601 HB2 ASP 73 HB2 ASP 73 -10.815 -8.154 7.739 602 HB3 ASP 73 HB1 ASP 73 -11.063 -6.459 7.405 603 H LEU 74 HN LEU 74 -12.877 -6.500 4.209 604 HA LEU 74 HA LEU 74 -11.043 -5.868 2.458 605 HB2 LEU 74 HB2 LEU 74 -13.150 -4.791 2.502 606 HB3 LEU 74 HB1 LEU 74 -12.859 -4.277 4.165 607 HG LEU 74 HG LEU 74 -11.436 -2.501 3.460 608 HD11 LEU 74 HD11 LEU 74 -10.201 -3.552 1.724 609 HD12 LEU 74 HD12 LEU 74 -10.949 -2.093 1.069 610 HD13 LEU 74 HD13 LEU 74 -11.634 -3.680 0.707 611 HD21 LEU 74 HD21 LEU 74 -12.938 -1.175 2.056 612 HD22 LEU 74 HD22 LEU 74 -13.818 -2.046 3.311 613 HD23 LEU 74 HD23 LEU 74 -13.841 -2.634 1.649 614 H TYR 75 HN TYR 75 -11.309 -4.507 5.668 615 HA TYR 75 HA TYR 75 -9.308 -2.627 5.155 616 HB2 TYR 75 HB2 TYR 75 -10.852 -3.304 7.655 617 HB3 TYR 75 HB1 TYR 75 -9.561 -2.109 7.646 618 HD1 TYR 75 HD1 TYR 75 -12.675 -2.272 7.953 619 HD2 TYR 75 HD2 TYR 75 -9.875 -0.870 5.155 620 HE1 TYR 75 HE1 TYR 75 -14.244 -0.674 7.211 621 HE2 TYR 75 HE2 TYR 75 -11.426 0.742 4.380 622 HH TYR 75 HH TYR 75 -13.912 1.113 4.315 623 H ALA 76 HN ALA 76 -9.452 -5.823 6.202 624 HA ALA 76 HA ALA 76 -6.925 -5.939 7.597 625 HB1 ALA 76 HB1 ALA 76 -7.369 -8.292 7.748 626 HB2 ALA 76 HB2 ALA 76 -8.622 -8.167 6.508 627 HB3 ALA 76 HB3 ALA 76 -8.875 -7.431 8.097 628 H GLY 77 HN GLY 77 -8.311 -6.429 4.439 629 HA2 GLY 77 HA2 GLY 77 -6.036 -7.734 3.299 630 HA3 GLY 77 HA1 GLY 77 -7.380 -6.973 2.454 631 H ILE 78 HN ILE 78 -7.302 -4.422 3.153 632 HA ILE 78 HA ILE 78 -5.073 -3.353 1.907 633 HB ILE 78 HB ILE 78 -7.493 -2.295 3.221 634 HG12 ILE 78 HG12 ILE 78 -7.505 -0.849 1.226 635 HG13 ILE 78 HG11 ILE 78 -5.909 -1.448 0.787 636 HG21 ILE 78 HG21 ILE 78 -5.862 -1.037 4.507 637 HG22 ILE 78 HG22 ILE 78 -6.694 0.014 3.361 638 HG23 ILE 78 HG23 ILE 78 -5.055 -0.537 3.022 639 HD11 ILE 78 HD11 ILE 78 -8.432 -3.076 0.938 640 HD12 ILE 78 HD12 ILE 78 -6.835 -3.692 0.515 641 HD13 ILE 78 HD13 ILE 78 -7.632 -2.515 -0.529 642 H ASP 79 HN ASP 79 -5.809 -3.901 5.390 643 HA ASP 79 HA ASP 79 -3.324 -2.698 6.331 644 HB2 ASP 79 HB2 ASP 79 -5.427 -4.409 7.590 645 HB3 ASP 79 HB1 ASP 79 -3.858 -4.237 8.369 646 H LEU 80 HN LEU 80 -4.189 -5.839 5.092 647 HA LEU 80 HA LEU 80 -1.718 -7.003 5.731 648 HB2 LEU 80 HB2 LEU 80 -3.780 -8.055 4.537 649 HB3 LEU 80 HB1 LEU 80 -3.094 -7.385 3.072 650 HG LEU 80 HG LEU 80 -1.700 -9.384 4.861 651 HD11 LEU 80 HD11 LEU 80 -3.122 -9.776 2.232 652 HD12 LEU 80 HD12 LEU 80 -3.659 -10.363 3.805 653 HD13 LEU 80 HD13 LEU 80 -2.180 -10.998 3.085 654 HD21 LEU 80 HD21 LEU 80 -1.000 -8.351 2.114 655 HD22 LEU 80 HD22 LEU 80 -0.162 -9.645 2.972 656 HD23 LEU 80 HD23 LEU 80 -0.135 -8.001 3.610 657 H ILE 81 HN ILE 81 -2.765 -5.244 2.787 658 HA ILE 81 HA ILE 81 -0.130 -4.953 1.857 659 HB ILE 81 HB ILE 81 -2.439 -4.611 0.642 660 HG12 ILE 81 HG12 ILE 81 -1.168 -3.932 -1.202 661 HG13 ILE 81 HG11 ILE 81 -0.194 -2.820 -0.253 662 HG21 ILE 81 HG21 ILE 81 -1.622 -1.760 1.170 663 HG22 ILE 81 HG22 ILE 81 -2.973 -2.568 1.960 664 HG23 ILE 81 HG23 ILE 81 -2.995 -2.324 0.217 665 HD11 ILE 81 HD11 ILE 81 1.178 -4.546 0.543 666 HD12 ILE 81 HD12 ILE 81 0.943 -4.897 -1.169 667 HD13 ILE 81 HD13 ILE 81 0.043 -5.798 0.049 668 H ASN 82 HN ASN 82 -1.953 -2.861 4.021 669 HA ASN 82 HA ASN 82 -0.264 -0.569 3.717 670 HB2 ASN 82 HB2 ASN 82 -2.616 -0.442 4.504 671 HB3 ASN 82 HB1 ASN 82 -2.173 -1.332 5.946 672 HD21 ASN 82 HD21 ASN 82 0.366 0.214 6.282 673 HD22 ASN 82 HD22 ASN 82 -0.144 1.752 6.882 674 H ASN 83 HN ASN 83 -0.527 -3.211 5.994 675 HA ASN 83 HA ASN 83 1.472 -2.117 7.737 676 HB2 ASN 83 HB2 ASN 83 0.399 -3.492 9.150 677 HB3 ASN 83 HB1 ASN 83 -0.646 -3.965 7.776 678 HD21 ASN 83 HD21 ASN 83 -0.338 -5.940 6.850 679 HD22 ASN 83 HD22 ASN 83 0.721 -7.157 7.478 680 H LYS 84 HN LYS 84 1.212 -4.664 5.320 681 HA LYS 84 HA LYS 84 3.967 -5.400 5.327 682 HB2 LYS 84 HB2 LYS 84 2.105 -6.718 4.273 683 HB3 LYS 84 HB1 LYS 84 2.030 -5.504 3.007 684 HG2 LYS 84 HG2 LYS 84 4.350 -6.033 2.390 685 HG3 LYS 84 HG1 LYS 84 4.368 -7.295 3.625 686 HD2 LYS 84 HD2 LYS 84 2.451 -8.376 2.487 687 HD3 LYS 84 HD1 LYS 84 2.554 -7.156 1.217 688 HE2 LYS 84 HE2 LYS 84 3.675 -9.130 0.456 689 HE3 LYS 84 HE1 LYS 84 4.891 -7.895 0.784 690 HZ1 LYS 84 HZ1 LYS 84 4.177 -10.149 2.579 691 HZ2 LYS 84 HZ2 LYS 84 5.328 -8.960 2.912 692 HZ3 LYS 84 HZ3 LYS 84 5.576 -10.037 1.635 693 H LEU 85 HN LEU 85 2.141 -2.782 3.958 694 HA LEU 85 HA LEU 85 4.042 -1.788 2.134 695 HB2 LEU 85 HB2 LEU 85 1.700 -1.024 2.158 696 HB3 LEU 85 HB1 LEU 85 1.947 -0.297 3.728 697 HG LEU 85 HG LEU 85 3.673 0.655 1.500 698 HD11 LEU 85 HD11 LEU 85 1.469 0.536 0.462 699 HD12 LEU 85 HD12 LEU 85 1.936 2.211 0.761 700 HD13 LEU 85 HD13 LEU 85 0.772 1.417 1.822 701 HD21 LEU 85 HD21 LEU 85 2.252 2.018 3.789 702 HD22 LEU 85 HD22 LEU 85 3.367 2.791 2.663 703 HD23 LEU 85 HD23 LEU 85 3.950 1.540 3.762 704 H GLU 86 HN GLU 86 3.274 -0.775 5.447 705 HA GLU 86 HA GLU 86 5.415 0.901 5.865 706 HB2 GLU 86 HB2 GLU 86 3.492 0.324 7.447 707 HB3 GLU 86 HB1 GLU 86 4.440 -1.075 7.927 708 HG2 GLU 86 HG2 GLU 86 6.203 0.332 8.747 709 HG3 GLU 86 HG1 GLU 86 5.390 1.771 8.133 710 H ARG 87 HN ARG 87 5.247 -2.635 6.371 711 HA ARG 87 HA ARG 87 7.909 -3.005 7.096 712 HB2 ARG 87 HB2 ARG 87 6.306 -4.711 7.441 713 HB3 ARG 87 HB1 ARG 87 6.102 -4.838 5.724 714 HG2 ARG 87 HG2 ARG 87 8.320 -5.712 5.436 715 HG3 ARG 87 HG1 ARG 87 8.656 -5.457 7.148 716 HD2 ARG 87 HD2 ARG 87 6.993 -7.105 7.755 717 HD3 ARG 87 HD1 ARG 87 6.533 -7.303 6.065 718 HE ARG 87 HE ARG 87 9.207 -7.862 6.112 719 HH11 ARG 87 HH11 ARG 87 6.393 -9.118 7.773 720 HH12 ARG 87 HH12 ARG 87 7.059 -10.705 7.965 721 HH21 ARG 87 HH21 ARG 87 10.086 -9.946 6.363 722 HH22 ARG 87 HH22 ARG 87 9.168 -11.174 7.176 723 H GLN 88 HN GLN 88 6.538 -2.750 3.874 724 HA GLN 88 HA GLN 88 8.911 -3.936 2.651 725 HB2 GLN 88 HB2 GLN 88 6.160 -3.378 1.848 726 HB3 GLN 88 HB1 GLN 88 7.348 -3.170 0.587 727 HG2 GLN 88 HG2 GLN 88 6.868 -5.666 2.209 728 HG3 GLN 88 HG1 GLN 88 6.361 -5.401 0.542 729 HE21 GLN 88 HE21 GLN 88 8.084 -7.451 1.689 730 HE22 GLN 88 HE22 GLN 88 9.586 -7.347 0.838 731 H VAL 89 HN VAL 89 6.905 -1.150 2.336 732 HA VAL 89 HA VAL 89 8.383 0.548 0.883 733 HB VAL 89 HB VAL 89 6.523 0.932 3.155 734 HG11 VAL 89 HG11 VAL 89 6.602 3.387 2.844 735 HG12 VAL 89 HG12 VAL 89 7.969 3.200 1.745 736 HG13 VAL 89 HG13 VAL 89 8.138 2.763 3.445 737 HG21 VAL 89 HG21 VAL 89 6.497 1.714 0.241 738 HG22 VAL 89 HG22 VAL 89 5.199 2.043 1.389 739 HG23 VAL 89 HG23 VAL 89 5.626 0.377 0.993 740 H ARG 90 HN ARG 90 8.571 0.105 4.380 741 HA ARG 90 HA ARG 90 10.809 1.850 4.702 742 HB2 ARG 90 HB2 ARG 90 9.677 -0.270 6.498 743 HB3 ARG 90 HB1 ARG 90 11.182 0.567 6.885 744 HG2 ARG 90 HG2 ARG 90 10.003 2.703 6.866 745 HG3 ARG 90 HG1 ARG 90 8.498 1.877 6.452 746 HD2 ARG 90 HD2 ARG 90 8.547 0.664 8.543 747 HD3 ARG 90 HD1 ARG 90 10.113 1.365 8.946 748 HE ARG 90 HE ARG 90 8.506 3.530 8.596 749 HH11 ARG 90 HH11 ARG 90 8.291 0.644 10.562 750 HH12 ARG 90 HH12 ARG 90 7.409 1.421 11.834 751 HH21 ARG 90 HH21 ARG 90 7.361 4.563 10.280 752 HH22 ARG 90 HH22 ARG 90 6.872 3.649 11.671 753 H LYS 91 HN LYS 91 10.567 -1.695 4.364 754 HA LYS 91 HA LYS 91 13.245 -2.314 4.785 755 HB2 LYS 91 HB2 LYS 91 12.635 -4.401 4.110 756 HB3 LYS 91 HB1 LYS 91 11.022 -3.722 4.076 757 HG2 LYS 91 HG2 LYS 91 11.106 -4.795 2.069 758 HG3 LYS 91 HG1 LYS 91 11.562 -3.156 1.616 759 HD2 LYS 91 HD2 LYS 91 13.947 -3.843 1.732 760 HD3 LYS 91 HD1 LYS 91 13.418 -5.497 2.049 761 HE2 LYS 91 HE2 LYS 91 12.807 -3.862 -0.411 762 HE3 LYS 91 HE1 LYS 91 13.946 -5.202 -0.307 763 HZ1 LYS 91 HZ1 LYS 91 12.093 -6.670 0.233 764 HZ2 LYS 91 HZ2 LYS 91 11.860 -5.918 -1.261 765 HZ3 LYS 91 HZ3 LYS 91 11.006 -5.380 0.094 766 H TYR 92 HN TYR 92 11.572 -1.082 2.017 767 HA TYR 92 HA TYR 92 13.790 -1.396 0.220 768 HB2 TYR 92 HB2 TYR 92 11.300 -1.571 -0.311 769 HB3 TYR 92 HB1 TYR 92 11.276 0.193 -0.251 770 HD1 TYR 92 HD1 TYR 92 12.714 1.494 -1.850 771 HD2 TYR 92 HD2 TYR 92 12.090 -2.694 -2.246 772 HE1 TYR 92 HE1 TYR 92 13.468 1.610 -4.183 773 HE2 TYR 92 HE2 TYR 92 12.845 -2.590 -4.583 774 HH TYR 92 HH TYR 92 12.993 -0.871 -6.399 775 H LYS 93 HN LYS 93 12.026 1.417 1.573 776 HA LYS 93 HA LYS 93 13.751 3.308 0.377 777 HB2 LYS 93 HB2 LYS 93 12.536 4.956 1.463 778 HB3 LYS 93 HB1 LYS 93 11.370 3.653 1.352 779 HG2 LYS 93 HG2 LYS 93 11.036 4.321 3.506 780 HG3 LYS 93 HG1 LYS 93 12.270 3.084 3.762 781 HD2 LYS 93 HD2 LYS 93 14.000 4.771 3.867 782 HD3 LYS 93 HD1 LYS 93 12.838 6.036 3.470 783 HE2 LYS 93 HE2 LYS 93 12.683 4.305 5.931 784 HE3 LYS 93 HE1 LYS 93 13.431 5.900 5.888 785 HZ1 LYS 93 HZ1 LYS 93 10.592 5.307 5.266 786 HZ2 LYS 93 HZ2 LYS 93 11.309 6.837 5.221 787 HZ3 LYS 93 HZ3 LYS 93 11.165 6.017 6.689 788 H THR 94 HN THR 94 13.763 1.679 3.498 789 HA THR 94 HA THR 94 15.950 3.186 4.515 790 HB THR 94 HB THR 94 14.670 0.598 5.423 791 HG1 THR 94 HG1 THR 94 13.717 1.890 6.887 792 HG21 THR 94 HG21 THR 94 17.057 0.526 6.029 793 HG22 THR 94 HG22 THR 94 16.042 0.754 7.452 794 HG23 THR 94 HG23 THR 94 16.918 2.122 6.767 795 H ARG 95 HN ARG 95 15.675 -0.016 2.915 796 HA ARG 95 HA ARG 95 18.372 -0.703 2.938 797 HB2 ARG 95 HB2 ARG 95 16.785 -2.278 2.088 798 HB3 ARG 95 HB1 ARG 95 16.260 -1.167 0.833 799 HG2 ARG 95 HG2 ARG 95 18.459 -1.350 -0.238 800 HG3 ARG 95 HG1 ARG 95 18.960 -2.491 1.011 801 HD2 ARG 95 HD2 ARG 95 16.626 -2.898 -0.852 802 HD3 ARG 95 HD1 ARG 95 18.234 -3.579 -1.098 803 HE ARG 95 HE ARG 95 17.365 -4.322 1.449 804 HH11 ARG 95 HH11 ARG 95 16.460 -4.884 -1.885 805 HH12 ARG 95 HH12 ARG 95 15.879 -6.491 -1.586 806 HH21 ARG 95 HH21 ARG 95 16.587 -6.421 1.851 807 HH22 ARG 95 HH22 ARG 95 15.943 -7.366 0.545 808 H ILE 96 HN ILE 96 16.631 1.177 0.435 809 HA ILE 96 HA ILE 96 18.999 1.596 -1.078 810 HB ILE 96 HB ILE 96 16.706 1.654 -2.056 811 HG12 ILE 96 HG12 ILE 96 17.162 3.557 -3.597 812 HG13 ILE 96 HG11 ILE 96 18.454 4.078 -2.521 813 HG21 ILE 96 HG21 ILE 96 15.589 2.977 -0.347 814 HG22 ILE 96 HG22 ILE 96 15.404 3.715 -1.938 815 HG23 ILE 96 HG23 ILE 96 16.560 4.382 -0.786 816 HD11 ILE 96 HD11 ILE 96 19.282 2.829 -4.456 817 HD12 ILE 96 HD12 ILE 96 18.344 1.427 -3.942 818 HD13 ILE 96 HD13 ILE 96 19.663 2.026 -2.935 819 H ASN 97 HN ASN 97 17.396 3.473 1.439 820 HA ASN 97 HA ASN 97 18.884 5.855 1.102 821 HB2 ASN 97 HB2 ASN 97 16.802 5.650 2.483 822 HB3 ASN 97 HB1 ASN 97 17.737 4.765 3.682 823 HD21 ASN 97 HD21 ASN 97 18.811 7.554 1.812 824 HD22 ASN 97 HD22 ASN 97 18.982 8.612 3.167 825 H ARG 98 HN ARG 98 19.355 3.004 3.154 826 HA ARG 98 HA ARG 98 21.752 3.876 4.373 827 HB2 ARG 98 HB2 ARG 98 20.585 1.133 3.928 828 HB3 ARG 98 HB1 ARG 98 22.089 1.389 4.796 829 HG2 ARG 98 HG2 ARG 98 19.566 2.771 5.625 830 HG3 ARG 98 HG1 ARG 98 19.929 1.126 6.145 831 HD2 ARG 98 HD2 ARG 98 20.673 2.598 7.859 832 HD3 ARG 98 HD1 ARG 98 22.102 1.980 7.039 833 HE ARG 98 HE ARG 98 20.983 4.672 6.574 834 HH11 ARG 98 HH11 ARG 98 23.696 2.486 6.843 835 HH12 ARG 98 HH12 ARG 98 24.894 3.737 6.697 836 HH21 ARG 98 HH21 ARG 98 22.541 6.336 6.429 837 HH22 ARG 98 HH22 ARG 98 24.230 5.938 6.488 838 H LYS 99 HN LYS 99 21.089 2.354 1.305 839 HA LYS 99 HA LYS 99 23.916 1.845 0.835 840 HB2 LYS 99 HB2 LYS 99 21.456 1.305 -0.826 841 HB3 LYS 99 HB1 LYS 99 23.092 0.949 -1.365 842 HG2 LYS 99 HG2 LYS 99 21.842 -0.193 1.124 843 HG3 LYS 99 HG1 LYS 99 21.882 -1.007 -0.439 844 HD2 LYS 99 HD2 LYS 99 24.317 -0.975 -0.413 845 HD3 LYS 99 HD1 LYS 99 24.300 -0.114 1.126 846 HE2 LYS 99 HE2 LYS 99 23.160 -2.864 0.656 847 HE3 LYS 99 HE1 LYS 99 24.729 -2.527 1.386 848 HZ1 LYS 99 HZ1 LYS 99 23.151 -2.932 3.107 849 HZ2 LYS 99 HZ2 LYS 99 22.065 -1.801 2.477 850 HZ3 LYS 99 HZ3 LYS 99 23.533 -1.287 3.143 851 H SER 100 HN SER 100 22.067 4.528 0.691 852 HA SER 100 HA SER 100 23.209 5.474 -1.839 853 HB2 SER 100 HB2 SER 100 20.748 5.665 -1.546 854 HB3 SER 100 HB1 SER 100 21.021 6.741 -0.176 855 HG SER 100 HG SER 100 21.063 7.284 -2.830 856 H ARG 101 HN ARG 101 22.776 6.554 1.545 857 HA ARG 101 HA ARG 101 24.835 8.584 0.997 858 HB2 ARG 101 HB2 ARG 101 23.809 10.022 2.635 859 HB3 ARG 101 HB1 ARG 101 22.610 9.528 1.451 860 HG2 ARG 101 HG2 ARG 101 21.684 7.923 3.014 861 HG3 ARG 101 HG1 ARG 101 22.931 8.331 4.197 862 HD2 ARG 101 HD2 ARG 101 22.095 10.656 4.222 863 HD3 ARG 101 HD1 ARG 101 20.811 10.184 3.112 864 HE ARG 101 HE ARG 101 20.832 8.557 5.451 865 HH11 ARG 101 HH11 ARG 101 19.877 11.713 4.262 866 HH12 ARG 101 HH12 ARG 101 18.599 11.901 5.419 867 HH21 ARG 101 HH21 ARG 101 19.151 8.811 6.984 868 HH22 ARG 101 HH22 ARG 101 18.186 10.252 6.965 869 H ASP 102 HN ASP 102 24.959 5.716 2.193 870 HA ASP 102 HA ASP 102 25.556 5.913 4.925 871 HB2 ASP 102 HB2 ASP 102 25.159 3.754 3.846 872 HB3 ASP 102 HB1 ASP 102 26.658 3.926 2.938 873 H ARG 103 HN ARG 103 26.930 7.329 5.664 874 HA ARG 103 HA ARG 103 29.710 7.233 4.693 875 HB2 ARG 103 HB2 ARG 103 28.179 9.530 5.938 876 HB3 ARG 103 HB1 ARG 103 29.909 9.553 5.622 877 HG2 ARG 103 HG2 ARG 103 29.626 9.678 3.339 878 HG3 ARG 103 HG1 ARG 103 28.008 8.980 3.395 879 HD2 ARG 103 HD2 ARG 103 27.937 11.360 2.859 880 HD3 ARG 103 HD1 ARG 103 27.142 11.017 4.392 881 HE ARG 103 HE ARG 103 29.867 11.765 4.761 882 HH11 ARG 103 HH11 ARG 103 26.675 13.035 4.130 883 HH12 ARG 103 HH12 ARG 103 27.010 14.590 4.819 884 HH21 ARG 103 HH21 ARG 103 30.318 13.820 5.677 885 HH22 ARG 103 HH22 ARG 103 29.086 15.040 5.684 886 H GLY 104 HN GLY 104 27.992 5.787 6.757 887 HA2 GLY 104 HA2 GLY 104 28.852 4.705 8.709 888 HA3 GLY 104 HA1 GLY 104 29.795 6.152 9.048 889 H ASP 105 HN ASP 105 27.657 4.558 10.566 890 HA ASP 105 HA ASP 105 25.579 6.541 10.924 891 HB2 ASP 105 HB2 ASP 105 24.607 5.046 12.519 892 HB3 ASP 105 HB1 ASP 105 25.172 4.066 11.174 893 H GLN 106 HN GLN 106 28.658 5.842 12.174 894 HA GLN 106 HA GLN 106 28.280 7.762 14.369 895 HB2 GLN 106 HB2 GLN 106 29.149 5.515 14.991 896 HB3 GLN 106 HB1 GLN 106 30.528 5.783 13.938 897 HG2 GLN 106 HG2 GLN 106 31.152 7.732 15.322 898 HG3 GLN 106 HG1 GLN 106 29.825 7.338 16.413 899 HE21 GLN 106 HE21 GLN 106 30.229 4.456 16.063 900 HE22 GLN 106 HE22 GLN 106 31.638 4.060 16.983 901 H GLU 107 HN GLU 107 30.423 6.827 11.714 902 HA GLU 107 HA GLU 107 32.043 9.165 11.815 903 HB2 GLU 107 HB2 GLU 107 31.566 7.258 9.515 904 HB3 GLU 107 HB1 GLU 107 32.870 8.432 9.622 905 HG2 GLU 107 HG2 GLU 107 33.810 7.258 11.519 906 HG3 GLU 107 HG1 GLU 107 32.475 6.107 11.491 907 H VAL 108 HN VAL 108 31.971 11.008 10.511 908 HA VAL 108 HA VAL 108 29.415 11.430 9.096 909 HB VAL 108 HB VAL 108 31.002 13.668 10.335 910 HG11 VAL 108 HG11 VAL 108 29.289 14.269 8.702 911 HG12 VAL 108 HG12 VAL 108 28.850 14.826 10.315 912 HG13 VAL 108 HG13 VAL 108 28.079 13.393 9.638 913 HG21 VAL 108 HG21 VAL 108 29.547 13.549 12.307 914 HG22 VAL 108 HG22 VAL 108 30.549 12.109 12.141 915 HG23 VAL 108 HG23 VAL 108 28.847 12.053 11.690 916 H PHE 109 HN PHE 109 32.017 10.458 8.062 917 HA PHE 109 HA PHE 109 32.365 12.459 5.980 918 HB2 PHE 109 HB2 PHE 109 34.824 12.422 6.180 919 HB3 PHE 109 HB1 PHE 109 34.054 13.099 7.608 920 HD1 PHE 109 HD1 PHE 109 33.932 11.747 9.691 921 HD2 PHE 109 HD2 PHE 109 36.173 10.487 6.302 922 HE1 PHE 109 HE1 PHE 109 35.180 10.171 11.107 923 HE2 PHE 109 HE2 PHE 109 37.423 8.907 7.712 924 HZ PHE 109 HZ PHE 109 36.927 8.749 10.117 925 H VAL 110 HN VAL 110 33.791 11.643 4.221 926 HA VAL 110 HA VAL 110 33.713 8.717 4.005 927 HB VAL 110 HB VAL 110 31.861 9.597 2.676 928 HG11 VAL 110 HG11 VAL 110 32.669 11.838 2.238 929 HG12 VAL 110 HG12 VAL 110 32.264 11.031 0.724 930 HG13 VAL 110 HG13 VAL 110 33.951 11.200 1.210 931 HG21 VAL 110 HG21 VAL 110 32.459 8.613 0.502 932 HG22 VAL 110 HG22 VAL 110 32.989 7.617 1.857 933 HG23 VAL 110 HG23 VAL 110 34.155 8.613 0.984 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 2.564 13.026 -7.878 2 H2 MET 1 HT2 MET 1 2.279 13.833 -9.335 3 H3 MET 1 HT3 MET 1 1.844 12.206 -9.172 4 HA MET 1 HA MET 1 0.676 14.422 -7.602 5 HB2 MET 1 HB2 MET 1 -0.482 12.878 -9.936 6 HB3 MET 1 HB1 MET 1 -1.342 14.072 -8.977 7 HG2 MET 1 HG2 MET 1 1.114 14.660 -10.613 8 HG3 MET 1 HG1 MET 1 -0.537 14.904 -11.173 9 HE1 MET 1 HE1 MET 1 -1.836 17.764 -8.904 10 HE2 MET 1 HE2 MET 1 -2.082 16.029 -8.707 11 HE3 MET 1 HE3 MET 1 -2.148 16.751 -10.315 12 H ILE 2 HN ILE 2 -0.402 13.731 -5.839 13 HA ILE 2 HA ILE 2 -0.535 10.925 -5.238 14 HB ILE 2 HB ILE 2 -0.181 12.374 -3.374 15 HG12 ILE 2 HG12 ILE 2 -3.018 11.329 -3.315 16 HG13 ILE 2 HG11 ILE 2 -1.567 10.427 -2.893 17 HG21 ILE 2 HG21 ILE 2 -1.879 14.061 -2.670 18 HG22 ILE 2 HG22 ILE 2 -2.686 13.814 -4.220 19 HG23 ILE 2 HG23 ILE 2 -1.042 14.449 -4.172 20 HD11 ILE 2 HD11 ILE 2 -1.191 11.911 -1.000 21 HD12 ILE 2 HD12 ILE 2 -2.779 11.148 -0.916 22 HD13 ILE 2 HD13 ILE 2 -2.635 12.829 -1.428 23 H ARG 3 HN ARG 3 -2.041 9.622 -6.095 24 HA ARG 3 HA ARG 3 -4.687 10.694 -6.620 25 HB2 ARG 3 HB2 ARG 3 -2.823 9.124 -8.339 26 HB3 ARG 3 HB1 ARG 3 -4.527 9.100 -8.598 27 HG2 ARG 3 HG2 ARG 3 -2.761 11.518 -8.697 28 HG3 ARG 3 HG1 ARG 3 -3.460 10.687 -10.085 29 HD2 ARG 3 HD2 ARG 3 -5.705 11.254 -9.279 30 HD3 ARG 3 HD1 ARG 3 -4.992 12.098 -7.907 31 HE ARG 3 HE ARG 3 -4.399 12.937 -10.663 32 HH11 ARG 3 HH11 ARG 3 -5.600 13.647 -7.445 33 HH12 ARG 3 HH12 ARG 3 -5.777 15.344 -7.749 34 HH21 ARG 3 HH21 ARG 3 -4.629 15.180 -11.055 35 HH22 ARG 3 HH22 ARG 3 -5.245 16.211 -9.802 36 H PHE 4 HN PHE 4 -6.254 8.943 -7.000 37 HA PHE 4 HA PHE 4 -5.653 6.450 -5.549 38 HB2 PHE 4 HB2 PHE 4 -8.215 8.066 -5.354 39 HB3 PHE 4 HB1 PHE 4 -7.937 6.501 -4.603 40 HD1 PHE 4 HD1 PHE 4 -7.056 10.070 -4.515 41 HD2 PHE 4 HD2 PHE 4 -6.730 6.303 -2.572 42 HE1 PHE 4 HE1 PHE 4 -6.225 11.193 -2.492 43 HE2 PHE 4 HE2 PHE 4 -5.899 7.417 -0.549 44 HZ PHE 4 HZ PHE 4 -5.643 9.866 -0.504 45 H GLU 5 HN GLU 5 -6.091 4.716 -6.823 46 HA GLU 5 HA GLU 5 -8.149 5.048 -8.891 47 HB2 GLU 5 HB2 GLU 5 -5.675 3.320 -9.112 48 HB3 GLU 5 HB1 GLU 5 -6.875 3.600 -10.352 49 HG2 GLU 5 HG2 GLU 5 -6.180 5.920 -10.535 50 HG3 GLU 5 HG1 GLU 5 -4.997 5.668 -9.249 51 H ILE 6 HN ILE 6 -9.547 4.289 -7.340 52 HA ILE 6 HA ILE 6 -9.152 1.545 -6.441 53 HB ILE 6 HB ILE 6 -11.188 3.669 -5.804 54 HG12 ILE 6 HG12 ILE 6 -9.117 2.432 -3.989 55 HG13 ILE 6 HG11 ILE 6 -8.840 3.906 -4.911 56 HG21 ILE 6 HG21 ILE 6 -12.152 2.162 -4.147 57 HG22 ILE 6 HG22 ILE 6 -10.933 0.939 -4.490 58 HG23 ILE 6 HG23 ILE 6 -12.151 1.323 -5.704 59 HD11 ILE 6 HD11 ILE 6 -9.446 4.442 -2.646 60 HD12 ILE 6 HD12 ILE 6 -10.924 3.489 -2.783 61 HD13 ILE 6 HD13 ILE 6 -10.727 4.956 -3.744 62 H HIS 7 HN HIS 7 -10.131 -0.030 -7.418 63 HA HIS 7 HA HIS 7 -12.595 0.462 -8.970 64 HB2 HIS 7 HB2 HIS 7 -10.455 -1.624 -9.187 65 HB3 HIS 7 HB1 HIS 7 -12.095 -1.966 -9.719 66 HD1 HIS 7 HD1 HIS 7 -12.844 -0.916 -11.940 67 HD2 HIS 7 HD2 HIS 7 -9.058 0.306 -10.735 68 HE1 HIS 7 HE1 HIS 7 -11.859 0.285 -13.918 69 HE2 HIS 7 HE2 HIS 7 -9.561 1.003 -13.175 70 H GLY 8 HN GLY 8 -14.013 0.355 -7.190 71 HA2 GLY 8 HA2 GLY 8 -13.573 -2.051 -5.643 72 HA3 GLY 8 HA1 GLY 8 -14.331 -0.617 -4.972 73 H ASP 9 HN ASP 9 -14.938 -3.676 -5.944 74 HA ASP 9 HA ASP 9 -17.613 -3.169 -7.003 75 HB2 ASP 9 HB2 ASP 9 -16.366 -4.936 -8.104 76 HB3 ASP 9 HB1 ASP 9 -16.079 -5.741 -6.565 77 H ASN 10 HN ASN 10 -18.683 -2.334 -5.267 78 HA ASN 10 HA ASN 10 -19.167 -4.212 -3.049 79 HB2 ASN 10 HB2 ASN 10 -19.178 -1.186 -2.887 80 HB3 ASN 10 HB1 ASN 10 -19.562 -2.283 -1.571 81 HD21 ASN 10 HD21 ASN 10 -17.351 -4.100 -2.522 82 HD22 ASN 10 HD22 ASN 10 -15.918 -3.357 -1.908 83 H LEU 11 HN LEU 11 -21.341 -3.450 -1.895 84 HA LEU 11 HA LEU 11 -23.473 -3.575 -3.736 85 HB2 LEU 11 HB2 LEU 11 -23.644 -4.214 -1.345 86 HB3 LEU 11 HB1 LEU 11 -23.482 -2.528 -0.898 87 HG LEU 11 HG LEU 11 -25.605 -2.052 -2.119 88 HD11 LEU 11 HD11 LEU 11 -27.056 -3.934 -2.697 89 HD12 LEU 11 HD12 LEU 11 -25.752 -5.057 -2.310 90 HD13 LEU 11 HD13 LEU 11 -25.577 -3.933 -3.658 91 HD21 LEU 11 HD21 LEU 11 -25.770 -4.120 0.071 92 HD22 LEU 11 HD22 LEU 11 -27.057 -3.014 -0.408 93 HD23 LEU 11 HD23 LEU 11 -25.570 -2.383 0.299 94 H THR 12 HN THR 12 -21.823 -0.944 -2.130 95 HA THR 12 HA THR 12 -22.458 0.843 -4.269 96 HB THR 12 HB THR 12 -24.494 1.113 -2.914 97 HG1 THR 12 HG1 THR 12 -24.457 3.202 -3.257 98 HG21 THR 12 HG21 THR 12 -24.367 2.117 -0.669 99 HG22 THR 12 HG22 THR 12 -22.612 1.944 -0.706 100 HG23 THR 12 HG23 THR 12 -23.640 0.512 -0.724 101 H ILE 13 HN ILE 13 -20.810 2.267 -4.520 102 HA ILE 13 HA ILE 13 -18.673 2.188 -2.534 103 HB ILE 13 HB ILE 13 -17.426 3.561 -4.310 104 HG12 ILE 13 HG12 ILE 13 -19.727 2.544 -5.996 105 HG13 ILE 13 HG11 ILE 13 -19.396 4.231 -5.623 106 HG21 ILE 13 HG21 ILE 13 -18.274 0.728 -4.887 107 HG22 ILE 13 HG22 ILE 13 -16.946 1.237 -3.845 108 HG23 ILE 13 HG23 ILE 13 -16.868 1.532 -5.581 109 HD11 ILE 13 HD11 ILE 13 -18.676 3.646 -7.869 110 HD12 ILE 13 HD12 ILE 13 -17.614 2.400 -7.211 111 HD13 ILE 13 HD13 ILE 13 -17.304 4.100 -6.857 112 H THR 14 HN THR 14 -18.713 3.625 -0.969 113 HA THR 14 HA THR 14 -20.090 6.175 -1.459 114 HB THR 14 HB THR 14 -20.356 6.218 1.047 115 HG1 THR 14 HG1 THR 14 -20.218 3.843 1.818 116 HG21 THR 14 HG21 THR 14 -21.599 3.904 -0.439 117 HG22 THR 14 HG22 THR 14 -22.203 5.562 -0.399 118 HG23 THR 14 HG23 THR 14 -22.200 4.587 1.071 119 H ASP 15 HN ASP 15 -19.349 7.900 0.213 120 HA ASP 15 HA ASP 15 -16.638 8.528 -0.290 121 HB2 ASP 15 HB2 ASP 15 -18.565 9.688 1.735 122 HB3 ASP 15 HB1 ASP 15 -16.991 10.375 1.348 123 H ALA 16 HN ALA 16 -18.248 6.770 2.180 124 HA ALA 16 HA ALA 16 -16.635 6.861 4.384 125 HB1 ALA 16 HB1 ALA 16 -17.778 4.343 3.184 126 HB2 ALA 16 HB2 ALA 16 -18.708 5.513 4.132 127 HB3 ALA 16 HB3 ALA 16 -17.384 4.621 4.884 128 H ILE 17 HN ILE 17 -16.321 4.392 1.869 129 HA ILE 17 HA ILE 17 -13.838 3.405 2.772 130 HB ILE 17 HB ILE 17 -15.328 3.151 0.193 131 HG12 ILE 17 HG12 ILE 17 -15.290 0.679 1.078 132 HG13 ILE 17 HG11 ILE 17 -14.862 1.438 2.612 133 HG21 ILE 17 HG21 ILE 17 -12.974 2.985 -0.380 134 HG22 ILE 17 HG22 ILE 17 -13.730 1.394 -0.487 135 HG23 ILE 17 HG23 ILE 17 -12.721 1.799 0.902 136 HD11 ILE 17 HD11 ILE 17 -17.257 0.970 2.431 137 HD12 ILE 17 HD12 ILE 17 -17.350 2.018 1.014 138 HD13 ILE 17 HD13 ILE 17 -16.929 2.695 2.587 139 H ARG 18 HN ARG 18 -14.760 5.661 0.232 140 HA ARG 18 HA ARG 18 -12.271 5.838 -0.947 141 HB2 ARG 18 HB2 ARG 18 -14.539 7.817 -0.815 142 HB3 ARG 18 HB1 ARG 18 -13.078 8.126 -1.747 143 HG2 ARG 18 HG2 ARG 18 -13.492 6.125 -3.075 144 HG3 ARG 18 HG1 ARG 18 -14.945 5.794 -2.133 145 HD2 ARG 18 HD2 ARG 18 -15.997 7.789 -2.942 146 HD3 ARG 18 HD1 ARG 18 -14.509 8.310 -3.732 147 HE ARG 18 HE ARG 18 -15.046 5.882 -4.847 148 HH11 ARG 18 HH11 ARG 18 -16.870 8.842 -4.493 149 HH12 ARG 18 HH12 ARG 18 -17.734 8.642 -5.984 150 HH21 ARG 18 HH21 ARG 18 -16.161 5.614 -6.813 151 HH22 ARG 18 HH22 ARG 18 -17.326 6.800 -7.306 152 H ASN 19 HN ASN 19 -13.787 7.835 1.549 153 HA ASN 19 HA ASN 19 -11.551 9.395 2.216 154 HB2 ASN 19 HB2 ASN 19 -13.895 9.817 3.016 155 HB3 ASN 19 HB1 ASN 19 -13.715 8.451 4.111 156 HD21 ASN 19 HD21 ASN 19 -13.911 9.660 5.969 157 HD22 ASN 19 HD22 ASN 19 -12.699 10.776 6.493 158 H TYR 20 HN TYR 20 -12.710 6.279 3.461 159 HA TYR 20 HA TYR 20 -10.942 5.755 5.497 160 HB2 TYR 20 HB2 TYR 20 -12.897 4.408 4.121 161 HB3 TYR 20 HB1 TYR 20 -11.479 3.497 3.668 162 HD1 TYR 20 HD1 TYR 20 -12.899 4.952 6.811 163 HD2 TYR 20 HD2 TYR 20 -11.181 1.559 4.910 164 HE1 TYR 20 HE1 TYR 20 -13.252 3.646 8.853 165 HE2 TYR 20 HE2 TYR 20 -11.523 0.242 6.961 166 HH TYR 20 HH TYR 20 -13.522 1.316 9.501 167 H ILE 21 HN ILE 21 -10.455 5.480 2.006 168 HA ILE 21 HA ILE 21 -7.921 4.079 2.256 169 HB ILE 21 HB ILE 21 -9.394 5.211 -0.118 170 HG12 ILE 21 HG12 ILE 21 -10.610 3.350 0.906 171 HG13 ILE 21 HG11 ILE 21 -9.960 2.866 -0.656 172 HG21 ILE 21 HG21 ILE 21 -7.020 5.090 -0.581 173 HG22 ILE 21 HG22 ILE 21 -7.859 3.834 -1.491 174 HG23 ILE 21 HG23 ILE 21 -6.965 3.416 -0.030 175 HD11 ILE 21 HD11 ILE 21 -8.841 2.160 2.047 176 HD12 ILE 21 HD12 ILE 21 -8.107 1.730 0.504 177 HD13 ILE 21 HD13 ILE 21 -9.691 1.084 0.937 178 H GLU 22 HN GLU 22 -9.380 7.127 1.807 179 HA GLU 22 HA GLU 22 -7.168 8.448 0.758 180 HB2 GLU 22 HB2 GLU 22 -9.504 9.289 0.611 181 HB3 GLU 22 HB1 GLU 22 -9.439 9.640 2.331 182 HG2 GLU 22 HG2 GLU 22 -7.600 11.216 1.910 183 HG3 GLU 22 HG1 GLU 22 -7.758 10.903 0.182 184 H GLU 23 HN GLU 23 -8.353 7.729 3.891 185 HA GLU 23 HA GLU 23 -6.449 9.218 5.404 186 HB2 GLU 23 HB2 GLU 23 -7.976 6.791 6.339 187 HB3 GLU 23 HB1 GLU 23 -7.393 8.142 7.303 188 HG2 GLU 23 HG2 GLU 23 -8.979 9.624 6.193 189 HG3 GLU 23 HG1 GLU 23 -9.561 8.262 5.208 190 H LYS 24 HN LYS 24 -6.766 5.808 4.357 191 HA LYS 24 HA LYS 24 -4.407 4.822 5.456 192 HB2 LYS 24 HB2 LYS 24 -5.848 4.174 2.917 193 HB3 LYS 24 HB1 LYS 24 -4.237 3.516 3.162 194 HG2 LYS 24 HG2 LYS 24 -5.284 1.832 4.173 195 HG3 LYS 24 HG1 LYS 24 -5.443 2.938 5.537 196 HD2 LYS 24 HD2 LYS 24 -7.577 3.650 4.027 197 HD3 LYS 24 HD1 LYS 24 -7.471 1.923 3.678 198 HE2 LYS 24 HE2 LYS 24 -8.919 2.278 5.568 199 HE3 LYS 24 HE1 LYS 24 -7.440 1.482 6.106 200 HZ1 LYS 24 HZ1 LYS 24 -8.049 3.253 7.617 201 HZ2 LYS 24 HZ2 LYS 24 -8.057 4.377 6.352 202 HZ3 LYS 24 HZ3 LYS 24 -6.606 3.651 6.826 203 H ILE 25 HN ILE 25 -4.709 6.183 2.174 204 HA ILE 25 HA ILE 25 -1.967 6.388 1.681 205 HB ILE 25 HB ILE 25 -4.302 7.905 0.544 206 HG12 ILE 25 HG12 ILE 25 -4.045 5.474 0.039 207 HG13 ILE 25 HG11 ILE 25 -3.956 6.498 -1.390 208 HG21 ILE 25 HG21 ILE 25 -2.808 8.753 -1.205 209 HG22 ILE 25 HG22 ILE 25 -1.426 8.078 -0.344 210 HG23 ILE 25 HG23 ILE 25 -2.371 9.374 0.386 211 HD11 ILE 25 HD11 ILE 25 -1.598 5.315 0.060 212 HD12 ILE 25 HD12 ILE 25 -1.537 6.295 -1.402 213 HD13 ILE 25 HD13 ILE 25 -2.299 4.708 -1.437 214 H GLY 26 HN GLY 26 -4.147 8.579 3.358 215 HA2 GLY 26 HA2 GLY 26 -2.389 10.762 3.602 216 HA3 GLY 26 HA1 GLY 26 -3.689 10.370 4.719 217 H LYS 27 HN LYS 27 -2.687 7.768 5.503 218 HA LYS 27 HA LYS 27 -0.884 8.757 7.520 219 HB2 LYS 27 HB2 LYS 27 -2.410 6.278 7.094 220 HB3 LYS 27 HB1 LYS 27 -0.966 6.151 8.074 221 HG2 LYS 27 HG2 LYS 27 -2.869 6.461 9.503 222 HG3 LYS 27 HG1 LYS 27 -1.872 7.913 9.558 223 HD2 LYS 27 HD2 LYS 27 -3.388 9.052 8.052 224 HD3 LYS 27 HD1 LYS 27 -4.345 7.583 7.860 225 HE2 LYS 27 HE2 LYS 27 -5.478 9.022 9.402 226 HE3 LYS 27 HE1 LYS 27 -4.827 7.654 10.300 227 HZ1 LYS 27 HZ1 LYS 27 -4.452 9.716 11.474 228 HZ2 LYS 27 HZ2 LYS 27 -3.629 10.367 10.152 229 HZ3 LYS 27 HZ3 LYS 27 -2.973 9.054 10.994 230 H LEU 28 HN LEU 28 -0.860 6.812 4.680 231 HA LEU 28 HA LEU 28 1.785 5.837 4.933 232 HB2 LEU 28 HB2 LEU 28 0.209 6.258 2.412 233 HB3 LEU 28 HB1 LEU 28 1.539 5.134 2.659 234 HG LEU 28 HG LEU 28 -1.056 5.035 4.164 235 HD11 LEU 28 HD11 LEU 28 -1.557 4.543 1.856 236 HD12 LEU 28 HD12 LEU 28 -1.526 3.017 2.734 237 HD13 LEU 28 HD13 LEU 28 -0.159 3.479 1.720 238 HD21 LEU 28 HD21 LEU 28 1.303 3.177 3.985 239 HD22 LEU 28 HD22 LEU 28 -0.260 2.694 4.640 240 HD23 LEU 28 HD23 LEU 28 0.654 3.990 5.408 241 H GLU 29 HN GLU 29 0.307 8.567 3.278 242 HA GLU 29 HA GLU 29 2.556 9.712 2.100 243 HB2 GLU 29 HB2 GLU 29 0.254 10.465 1.659 244 HB3 GLU 29 HB1 GLU 29 0.138 11.086 3.298 245 HG2 GLU 29 HG2 GLU 29 2.104 12.577 2.712 246 HG3 GLU 29 HG1 GLU 29 1.821 12.106 1.037 247 H ARG 30 HN ARG 30 1.168 10.135 5.343 248 HA ARG 30 HA ARG 30 2.991 12.114 6.131 249 HB2 ARG 30 HB2 ARG 30 1.229 10.346 7.650 250 HB3 ARG 30 HB1 ARG 30 2.278 11.472 8.472 251 HG2 ARG 30 HG2 ARG 30 0.079 12.109 6.518 252 HG3 ARG 30 HG1 ARG 30 0.087 12.434 8.252 253 HD2 ARG 30 HD2 ARG 30 1.821 13.694 6.133 254 HD3 ARG 30 HD1 ARG 30 0.578 14.475 7.108 255 HE ARG 30 HE ARG 30 2.440 13.448 8.887 256 HH11 ARG 30 HH11 ARG 30 2.381 15.787 6.285 257 HH12 ARG 30 HH12 ARG 30 3.644 16.761 6.960 258 HH21 ARG 30 HH21 ARG 30 4.116 14.721 9.778 259 HH22 ARG 30 HH22 ARG 30 4.633 16.157 8.951 260 H TYR 31 HN TYR 31 3.620 8.846 5.684 261 HA TYR 31 HA TYR 31 5.696 8.603 7.633 262 HB2 TYR 31 HB2 TYR 31 5.322 7.178 4.988 263 HB3 TYR 31 HB1 TYR 31 6.564 6.773 6.162 264 HD1 TYR 31 HD1 TYR 31 4.881 7.054 8.676 265 HD2 TYR 31 HD2 TYR 31 4.101 5.169 4.944 266 HE1 TYR 31 HE1 TYR 31 3.329 5.505 9.789 267 HE2 TYR 31 HE2 TYR 31 2.546 3.619 6.048 268 HH TYR 31 HH TYR 31 1.434 4.085 9.242 269 H PHE 32 HN PHE 32 5.330 10.276 4.679 270 HA PHE 32 HA PHE 32 8.213 10.744 4.465 271 HB2 PHE 32 HB2 PHE 32 6.350 11.300 2.227 272 HB3 PHE 32 HB1 PHE 32 7.998 10.736 2.204 273 HD1 PHE 32 HD1 PHE 32 4.870 9.801 1.287 274 HD2 PHE 32 HD2 PHE 32 8.202 8.275 3.445 275 HE1 PHE 32 HE1 PHE 32 4.116 7.509 0.829 276 HE2 PHE 32 HE2 PHE 32 7.454 5.980 2.988 277 HZ PHE 32 HZ PHE 32 5.408 5.595 1.679 278 H ASN 33 HN ASN 33 8.790 12.915 3.764 279 HA ASN 33 HA ASN 33 6.544 14.790 3.791 280 HB2 ASN 33 HB2 ASN 33 7.942 16.542 4.679 281 HB3 ASN 33 HB1 ASN 33 8.136 15.136 5.716 282 HD21 ASN 33 HD21 ASN 33 9.901 17.402 5.360 283 HD22 ASN 33 HD22 ASN 33 11.418 16.763 4.833 284 H ASP 34 HN ASP 34 8.415 13.203 1.818 285 HA ASP 34 HA ASP 34 8.870 15.344 0.018 286 HB2 ASP 34 HB2 ASP 34 10.837 14.196 -0.841 287 HB3 ASP 34 HB1 ASP 34 10.979 14.424 0.898 288 H VAL 35 HN VAL 35 6.530 13.659 0.256 289 HA VAL 35 HA VAL 35 6.718 11.960 -2.107 290 HB VAL 35 HB VAL 35 5.857 10.866 -0.155 291 HG11 VAL 35 HG11 VAL 35 3.754 11.503 0.905 292 HG12 VAL 35 HG12 VAL 35 3.679 12.936 -0.117 293 HG13 VAL 35 HG13 VAL 35 4.978 12.764 1.063 294 HG21 VAL 35 HG21 VAL 35 3.730 10.010 -1.019 295 HG22 VAL 35 HG22 VAL 35 4.938 10.161 -2.295 296 HG23 VAL 35 HG23 VAL 35 3.654 11.360 -2.151 297 HA PRO 36 HA PRO 36 4.066 14.919 -4.222 298 HB2 PRO 36 HB2 PRO 36 5.405 14.872 -6.564 299 HB3 PRO 36 HB1 PRO 36 5.930 15.858 -5.199 300 HG2 PRO 36 HG2 PRO 36 7.151 13.445 -6.323 301 HG3 PRO 36 HG1 PRO 36 7.855 14.658 -5.244 302 HD2 PRO 36 HD2 PRO 36 6.738 12.057 -4.585 303 HD3 PRO 36 HD1 PRO 36 7.623 13.185 -3.539 304 H ASN 37 HN ASN 37 4.807 11.648 -4.543 305 HA ASN 37 HA ASN 37 2.576 11.222 -6.389 306 HB2 ASN 37 HB2 ASN 37 4.580 11.123 -7.776 307 HB3 ASN 37 HB1 ASN 37 5.315 9.968 -6.672 308 HD21 ASN 37 HD21 ASN 37 5.564 8.398 -8.207 309 HD22 ASN 37 HD22 ASN 37 4.232 7.522 -8.875 310 H ALA 38 HN ALA 38 1.191 9.930 -5.443 311 HA ALA 38 HA ALA 38 1.995 7.406 -4.331 312 HB1 ALA 38 HB1 ALA 38 2.321 8.843 -2.362 313 HB2 ALA 38 HB2 ALA 38 0.949 7.758 -2.129 314 HB3 ALA 38 HB3 ALA 38 0.672 9.452 -2.533 315 H VAL 39 HN VAL 39 0.504 6.054 -5.184 316 HA VAL 39 HA VAL 39 -2.208 7.059 -5.632 317 HB VAL 39 HB VAL 39 -0.291 5.488 -7.279 318 HG11 VAL 39 HG11 VAL 39 -1.918 4.247 -8.434 319 HG12 VAL 39 HG12 VAL 39 -3.239 5.065 -7.598 320 HG13 VAL 39 HG13 VAL 39 -2.179 3.960 -6.705 321 HG21 VAL 39 HG21 VAL 39 -2.560 7.305 -8.041 322 HG22 VAL 39 HG22 VAL 39 -1.269 6.716 -9.091 323 HG23 VAL 39 HG23 VAL 39 -0.897 7.826 -7.773 324 H ALA 40 HN ALA 40 -3.931 5.557 -5.167 325 HA ALA 40 HA ALA 40 -3.029 2.922 -4.120 326 HB1 ALA 40 HB1 ALA 40 -5.477 4.472 -3.232 327 HB2 ALA 40 HB2 ALA 40 -3.977 4.338 -2.318 328 HB3 ALA 40 HB3 ALA 40 -4.950 2.903 -2.626 329 H HIS 41 HN HIS 41 -3.208 2.007 -6.139 330 HA HIS 41 HA HIS 41 -5.769 1.944 -7.491 331 HB2 HIS 41 HB2 HIS 41 -3.600 1.858 -8.749 332 HB3 HIS 41 HB1 HIS 41 -3.271 0.303 -8.005 333 HD1 HIS 41 HD1 HIS 41 -4.893 1.848 -10.878 334 HD2 HIS 41 HD2 HIS 41 -5.170 -1.765 -8.827 335 HE1 HIS 41 HE1 HIS 41 -6.083 0.264 -12.436 336 HE2 HIS 41 HE2 HIS 41 -6.357 -1.869 -11.120 337 H VAL 42 HN VAL 42 -7.226 1.010 -6.107 338 HA VAL 42 HA VAL 42 -6.442 -1.546 -4.791 339 HB VAL 42 HB VAL 42 -7.798 0.960 -3.921 340 HG11 VAL 42 HG11 VAL 42 -9.600 -0.652 -3.768 341 HG12 VAL 42 HG12 VAL 42 -9.040 -0.166 -2.166 342 HG13 VAL 42 HG13 VAL 42 -8.568 -1.731 -2.833 343 HG21 VAL 42 HG21 VAL 42 -5.542 0.378 -3.214 344 HG22 VAL 42 HG22 VAL 42 -6.166 -1.160 -2.578 345 HG23 VAL 42 HG23 VAL 42 -6.654 0.364 -1.831 346 H LYS 43 HN LYS 43 -8.114 -3.033 -4.686 347 HA LYS 43 HA LYS 43 -10.554 -2.534 -6.239 348 HB2 LYS 43 HB2 LYS 43 -8.977 -3.448 -7.888 349 HB3 LYS 43 HB1 LYS 43 -8.644 -4.813 -6.843 350 HG2 LYS 43 HG2 LYS 43 -11.018 -5.497 -7.052 351 HG3 LYS 43 HG1 LYS 43 -11.244 -4.182 -8.208 352 HD2 LYS 43 HD2 LYS 43 -9.566 -5.166 -9.676 353 HD3 LYS 43 HD1 LYS 43 -9.290 -6.462 -8.513 354 HE2 LYS 43 HE2 LYS 43 -10.709 -7.311 -10.232 355 HE3 LYS 43 HE1 LYS 43 -11.683 -7.110 -8.779 356 HZ1 LYS 43 HZ1 LYS 43 -11.601 -5.231 -11.076 357 HZ2 LYS 43 HZ2 LYS 43 -12.547 -5.048 -9.690 358 HZ3 LYS 43 HZ3 LYS 43 -12.843 -6.330 -10.749 359 H VAL 44 HN VAL 44 -11.917 -2.803 -4.767 360 HA VAL 44 HA VAL 44 -11.664 -4.991 -2.824 361 HB VAL 44 HB VAL 44 -11.955 -2.522 -2.107 362 HG11 VAL 44 HG11 VAL 44 -14.694 -3.156 -3.112 363 HG12 VAL 44 HG12 VAL 44 -13.578 -1.939 -3.757 364 HG13 VAL 44 HG13 VAL 44 -14.275 -1.737 -2.143 365 HG21 VAL 44 HG21 VAL 44 -14.009 -4.506 -1.138 366 HG22 VAL 44 HG22 VAL 44 -13.418 -3.094 -0.263 367 HG23 VAL 44 HG23 VAL 44 -12.335 -4.442 -0.598 368 H LYS 45 HN LYS 45 -13.631 -6.078 -2.318 369 HA LYS 45 HA LYS 45 -15.787 -6.161 -4.248 370 HB2 LYS 45 HB2 LYS 45 -13.839 -8.452 -3.865 371 HB3 LYS 45 HB1 LYS 45 -15.378 -8.604 -4.697 372 HG2 LYS 45 HG2 LYS 45 -14.632 -7.199 -6.472 373 HG3 LYS 45 HG1 LYS 45 -13.181 -6.746 -5.578 374 HD2 LYS 45 HD2 LYS 45 -13.837 -9.514 -6.597 375 HD3 LYS 45 HD1 LYS 45 -12.691 -8.391 -7.331 376 HE2 LYS 45 HE2 LYS 45 -12.483 -9.596 -4.572 377 HE3 LYS 45 HE1 LYS 45 -11.545 -10.069 -5.982 378 HZ1 LYS 45 HZ1 LYS 45 -10.388 -8.048 -5.979 379 HZ2 LYS 45 HZ2 LYS 45 -10.446 -8.513 -4.350 380 HZ3 LYS 45 HZ3 LYS 45 -11.486 -7.310 -4.918 381 H THR 46 HN THR 46 -17.604 -6.669 -3.091 382 HA THR 46 HA THR 46 -17.466 -8.599 -0.970 383 HB THR 46 HB THR 46 -16.672 -6.630 0.248 384 HG1 THR 46 HG1 THR 46 -17.944 -7.005 1.959 385 HG21 THR 46 HG21 THR 46 -18.196 -4.729 0.651 386 HG22 THR 46 HG22 THR 46 -19.303 -5.391 -0.553 387 HG23 THR 46 HG23 THR 46 -17.694 -4.855 -1.034 388 H TYR 47 HN TYR 47 -19.337 -9.542 -0.556 389 HA TYR 47 HA TYR 47 -21.841 -8.178 -0.856 390 HB2 TYR 47 HB2 TYR 47 -21.351 -9.120 -3.171 391 HB3 TYR 47 HB1 TYR 47 -21.450 -10.723 -2.450 392 HD1 TYR 47 HD1 TYR 47 -23.491 -11.819 -2.529 393 HD2 TYR 47 HD2 TYR 47 -23.436 -7.566 -2.648 394 HE1 TYR 47 HE1 TYR 47 -25.932 -11.799 -2.826 395 HE2 TYR 47 HE2 TYR 47 -25.874 -7.536 -2.947 396 HH TYR 47 HH TYR 47 -27.652 -8.967 -3.710 397 H SER 48 HN SER 48 -21.272 -8.614 1.414 398 HA SER 48 HA SER 48 -22.643 -10.895 2.428 399 HB2 SER 48 HB2 SER 48 -20.426 -11.909 1.862 400 HB3 SER 48 HB1 SER 48 -19.655 -10.743 2.932 401 HG SER 48 HG SER 48 -19.961 -12.266 4.361 402 H ASN 49 HN ASN 49 -21.918 -10.899 5.008 403 HA ASN 49 HA ASN 49 -23.124 -8.526 5.895 404 HB2 ASN 49 HB2 ASN 49 -22.706 -9.378 8.176 405 HB3 ASN 49 HB1 ASN 49 -23.413 -10.592 7.121 406 HD21 ASN 49 HD21 ASN 49 -20.737 -9.722 9.068 407 HD22 ASN 49 HD22 ASN 49 -19.830 -11.183 8.858 408 H SER 50 HN SER 50 -19.712 -9.599 6.306 409 HA SER 50 HA SER 50 -19.066 -6.789 6.744 410 HB2 SER 50 HB2 SER 50 -19.228 -8.079 8.918 411 HB3 SER 50 HB1 SER 50 -17.814 -8.985 8.382 412 HG SER 50 HG SER 50 -17.722 -6.179 8.367 413 H ALA 51 HN ALA 51 -18.686 -8.963 4.666 414 HA ALA 51 HA ALA 51 -15.983 -9.669 4.436 415 HB1 ALA 51 HB1 ALA 51 -17.140 -10.869 2.900 416 HB2 ALA 51 HB2 ALA 51 -16.593 -9.525 1.863 417 HB3 ALA 51 HB3 ALA 51 -18.232 -9.528 2.535 418 H THR 52 HN THR 52 -14.236 -8.728 3.337 419 HA THR 52 HA THR 52 -14.891 -6.885 1.426 420 HB THR 52 HB THR 52 -12.627 -5.752 2.820 421 HG1 THR 52 HG1 THR 52 -14.930 -6.374 4.160 422 HG21 THR 52 HG21 THR 52 -13.921 -3.673 2.543 423 HG22 THR 52 HG22 THR 52 -15.312 -4.620 2.020 424 HG23 THR 52 HG23 THR 52 -13.847 -4.590 1.041 425 H LYS 53 HN LYS 53 -14.065 -8.198 -0.162 426 HA LYS 53 HA LYS 53 -11.403 -9.321 0.131 427 HB2 LYS 53 HB2 LYS 53 -13.213 -9.429 -2.285 428 HB3 LYS 53 HB1 LYS 53 -11.898 -10.517 -1.887 429 HG2 LYS 53 HG2 LYS 53 -13.156 -11.434 -0.040 430 HG3 LYS 53 HG1 LYS 53 -14.454 -10.271 -0.315 431 HD2 LYS 53 HD2 LYS 53 -14.652 -11.251 -2.640 432 HD3 LYS 53 HD1 LYS 53 -13.589 -12.544 -2.089 433 HE2 LYS 53 HE2 LYS 53 -16.221 -11.806 -0.817 434 HE3 LYS 53 HE1 LYS 53 -15.995 -13.121 -1.966 435 HZ1 LYS 53 HZ1 LYS 53 -14.710 -12.906 0.701 436 HZ2 LYS 53 HZ2 LYS 53 -14.473 -14.166 -0.402 437 HZ3 LYS 53 HZ3 LYS 53 -15.993 -13.929 0.296 438 H ILE 54 HN ILE 54 -9.639 -8.259 -0.490 439 HA ILE 54 HA ILE 54 -10.072 -5.885 -2.157 440 HB ILE 54 HB ILE 54 -8.095 -4.955 -0.763 441 HG12 ILE 54 HG12 ILE 54 -8.360 -5.736 1.656 442 HG13 ILE 54 HG11 ILE 54 -9.152 -7.163 0.999 443 HG21 ILE 54 HG21 ILE 54 -10.305 -4.085 -0.916 444 HG22 ILE 54 HG22 ILE 54 -9.734 -4.003 0.761 445 HG23 ILE 54 HG23 ILE 54 -10.882 -5.266 0.274 446 HD11 ILE 54 HD11 ILE 54 -7.110 -7.643 -0.306 447 HD12 ILE 54 HD12 ILE 54 -6.851 -7.662 1.437 448 HD13 ILE 54 HD13 ILE 54 -6.325 -6.274 0.483 449 H GLU 55 HN GLU 55 -8.346 -5.012 -3.255 450 HA GLU 55 HA GLU 55 -5.882 -6.546 -3.447 451 HB2 GLU 55 HB2 GLU 55 -7.723 -5.747 -5.671 452 HB3 GLU 55 HB1 GLU 55 -6.027 -6.037 -5.915 453 HG2 GLU 55 HG2 GLU 55 -6.237 -8.327 -5.405 454 HG3 GLU 55 HG1 GLU 55 -7.844 -8.087 -4.719 455 H VAL 56 HN VAL 56 -4.474 -5.017 -2.814 456 HA VAL 56 HA VAL 56 -5.017 -2.194 -3.511 457 HB VAL 56 HB VAL 56 -4.450 -2.031 -1.205 458 HG11 VAL 56 HG11 VAL 56 -2.877 -4.471 -1.584 459 HG12 VAL 56 HG12 VAL 56 -4.516 -4.350 -0.949 460 HG13 VAL 56 HG13 VAL 56 -3.171 -3.641 -0.062 461 HG21 VAL 56 HG21 VAL 56 -1.586 -2.504 -2.121 462 HG22 VAL 56 HG22 VAL 56 -2.157 -1.441 -0.837 463 HG23 VAL 56 HG23 VAL 56 -2.457 -1.020 -2.517 464 H THR 57 HN THR 57 -3.656 -1.167 -4.765 465 HA THR 57 HA THR 57 -0.909 -2.102 -4.965 466 HB THR 57 HB THR 57 -2.348 -1.289 -7.508 467 HG1 THR 57 HG1 THR 57 -2.684 -3.572 -6.146 468 HG21 THR 57 HG21 THR 57 0.194 -2.834 -6.994 469 HG22 THR 57 HG22 THR 57 0.087 -1.156 -7.528 470 HG23 THR 57 HG23 THR 57 -0.469 -2.456 -8.584 471 H ILE 58 HN ILE 58 -0.076 -0.430 -4.079 472 HA ILE 58 HA ILE 58 -1.146 2.303 -4.563 473 HB ILE 58 HB ILE 58 -0.012 0.787 -2.217 474 HG12 ILE 58 HG12 ILE 58 -2.374 2.655 -2.434 475 HG13 ILE 58 HG11 ILE 58 -2.455 0.908 -2.614 476 HG21 ILE 58 HG21 ILE 58 -0.138 3.813 -2.367 477 HG22 ILE 58 HG22 ILE 58 1.325 2.835 -2.252 478 HG23 ILE 58 HG23 ILE 58 0.185 2.876 -0.907 479 HD11 ILE 58 HD11 ILE 58 -3.170 1.593 -0.405 480 HD12 ILE 58 HD12 ILE 58 -1.628 2.407 -0.140 481 HD13 ILE 58 HD13 ILE 58 -1.681 0.653 -0.306 482 HA PRO 59 HA PRO 59 3.224 2.559 -6.240 483 HB2 PRO 59 HB2 PRO 59 1.895 4.620 -7.891 484 HB3 PRO 59 HB1 PRO 59 2.924 3.268 -8.389 485 HG2 PRO 59 HG2 PRO 59 0.299 3.237 -8.853 486 HG3 PRO 59 HG1 PRO 59 1.165 1.761 -8.385 487 HD2 PRO 59 HD2 PRO 59 -0.483 3.595 -6.684 488 HD3 PRO 59 HD1 PRO 59 -0.512 1.822 -6.759 489 H LEU 60 HN LEU 60 4.117 3.554 -4.471 490 HA LEU 60 HA LEU 60 3.600 6.343 -3.918 491 HB2 LEU 60 HB2 LEU 60 5.633 4.377 -2.854 492 HB3 LEU 60 HB1 LEU 60 5.337 5.971 -2.228 493 HG LEU 60 HG LEU 60 3.288 3.773 -2.226 494 HD11 LEU 60 HD11 LEU 60 5.131 4.715 -0.044 495 HD12 LEU 60 HD12 LEU 60 5.108 3.123 -0.802 496 HD13 LEU 60 HD13 LEU 60 3.752 3.645 0.198 497 HD21 LEU 60 HD21 LEU 60 2.123 5.220 -0.622 498 HD22 LEU 60 HD22 LEU 60 2.315 5.997 -2.192 499 HD23 LEU 60 HD23 LEU 60 3.362 6.455 -0.849 500 H LYS 61 HN LYS 61 6.077 7.445 -3.571 501 HA LYS 61 HA LYS 61 6.946 8.151 -6.107 502 HB2 LYS 61 HB2 LYS 61 8.781 7.937 -3.799 503 HB3 LYS 61 HB1 LYS 61 8.719 9.223 -5.004 504 HG2 LYS 61 HG2 LYS 61 7.643 10.459 -3.494 505 HG3 LYS 61 HG1 LYS 61 6.273 9.358 -3.664 506 HD2 LYS 61 HD2 LYS 61 6.569 9.062 -1.443 507 HD3 LYS 61 HD1 LYS 61 7.829 7.945 -1.961 508 HE2 LYS 61 HE2 LYS 61 8.222 10.842 -1.211 509 HE3 LYS 61 HE1 LYS 61 8.628 9.456 -0.208 510 HZ1 LYS 61 HZ1 LYS 61 9.845 10.033 -2.855 511 HZ2 LYS 61 HZ2 LYS 61 10.293 8.801 -1.789 512 HZ3 LYS 61 HZ3 LYS 61 10.550 10.423 -1.368 513 H ASN 62 HN ASN 62 8.387 6.097 -3.662 514 HA ASN 62 HA ASN 62 10.506 5.475 -5.414 515 HB2 ASN 62 HB2 ASN 62 10.872 6.151 -3.079 516 HB3 ASN 62 HB1 ASN 62 10.176 4.619 -2.643 517 HD21 ASN 62 HD21 ASN 62 12.208 4.938 -5.434 518 HD22 ASN 62 HD22 ASN 62 13.553 4.066 -4.789 519 H VAL 63 HN VAL 63 7.997 3.794 -3.656 520 HA VAL 63 HA VAL 63 8.524 1.354 -5.194 521 HB VAL 63 HB VAL 63 9.485 1.130 -2.953 522 HG11 VAL 63 HG11 VAL 63 8.067 2.663 -1.733 523 HG12 VAL 63 HG12 VAL 63 8.049 1.073 -0.967 524 HG13 VAL 63 HG13 VAL 63 6.683 1.592 -1.956 525 HG21 VAL 63 HG21 VAL 63 7.033 -0.572 -3.369 526 HG22 VAL 63 HG22 VAL 63 8.362 -0.952 -2.273 527 HG23 VAL 63 HG23 VAL 63 8.648 -0.876 -4.011 528 H THR 64 HN THR 64 6.755 0.017 -5.554 529 HA THR 64 HA THR 64 4.098 1.200 -5.056 530 HB THR 64 HB THR 64 5.008 -0.531 -7.369 531 HG1 THR 64 HG1 THR 64 5.505 1.320 -8.232 532 HG21 THR 64 HG21 THR 64 2.773 -0.117 -8.304 533 HG22 THR 64 HG22 THR 64 2.316 0.718 -6.821 534 HG23 THR 64 HG23 THR 64 2.692 -1.004 -6.782 535 H LEU 65 HN LEU 65 2.856 -0.029 -3.685 536 HA LEU 65 HA LEU 65 3.638 -2.850 -3.397 537 HB2 LEU 65 HB2 LEU 65 2.146 -1.030 -1.531 538 HB3 LEU 65 HB1 LEU 65 2.022 -2.765 -1.409 539 HG LEU 65 HG LEU 65 4.649 -2.732 -1.379 540 HD11 LEU 65 HD11 LEU 65 5.639 -0.871 -0.170 541 HD12 LEU 65 HD12 LEU 65 4.087 -0.011 -0.214 542 HD13 LEU 65 HD13 LEU 65 4.954 -0.331 -1.715 543 HD21 LEU 65 HD21 LEU 65 4.576 -2.821 1.014 544 HD22 LEU 65 HD22 LEU 65 3.137 -3.587 0.343 545 HD23 LEU 65 HD23 LEU 65 3.034 -1.967 1.032 546 H ARG 66 HN ARG 66 2.289 -4.464 -3.457 547 HA ARG 66 HA ARG 66 -0.492 -3.942 -4.175 548 HB2 ARG 66 HB2 ARG 66 0.511 -4.691 -6.037 549 HB3 ARG 66 HB1 ARG 66 1.601 -5.786 -5.256 550 HG2 ARG 66 HG2 ARG 66 0.165 -7.259 -6.253 551 HG3 ARG 66 HG1 ARG 66 -0.614 -7.067 -4.684 552 HD2 ARG 66 HD2 ARG 66 -2.159 -5.455 -5.623 553 HD3 ARG 66 HD1 ARG 66 -1.346 -5.556 -7.184 554 HE ARG 66 HE ARG 66 -2.144 -8.136 -6.465 555 HH11 ARG 66 HH11 ARG 66 -3.552 -5.067 -7.395 556 HH12 ARG 66 HH12 ARG 66 -5.011 -5.777 -8.012 557 HH21 ARG 66 HH21 ARG 66 -4.036 -9.078 -7.289 558 HH22 ARG 66 HH22 ARG 66 -5.306 -8.073 -7.925 559 H ALA 67 HN ALA 67 -1.911 -5.021 -2.952 560 HA ALA 67 HA ALA 67 -1.064 -7.557 -1.694 561 HB1 ALA 67 HB1 ALA 67 -0.689 -6.095 0.128 562 HB2 ALA 67 HB2 ALA 67 -2.218 -6.910 0.462 563 HB3 ALA 67 HB3 ALA 67 -2.212 -5.247 -0.134 564 H GLU 68 HN GLU 68 -2.497 -9.101 -2.077 565 HA GLU 68 HA GLU 68 -5.247 -8.284 -2.732 566 HB2 GLU 68 HB2 GLU 68 -5.137 -10.267 -4.370 567 HB3 GLU 68 HB1 GLU 68 -4.309 -8.781 -4.819 568 HG2 GLU 68 HG2 GLU 68 -2.199 -9.752 -3.983 569 HG3 GLU 68 HG1 GLU 68 -3.053 -11.260 -3.674 570 H GLU 69 HN GLU 69 -6.588 -9.078 -1.253 571 HA GLU 69 HA GLU 69 -6.339 -11.865 -0.468 572 HB2 GLU 69 HB2 GLU 69 -4.958 -10.688 1.183 573 HB3 GLU 69 HB1 GLU 69 -6.317 -9.646 1.581 574 HG2 GLU 69 HG2 GLU 69 -7.571 -11.570 2.385 575 HG3 GLU 69 HG1 GLU 69 -6.230 -12.630 1.960 576 H ARG 70 HN ARG 70 -8.260 -12.796 -0.302 577 HA ARG 70 HA ARG 70 -10.651 -11.116 -0.382 578 HB2 ARG 70 HB2 ARG 70 -10.340 -14.114 -0.691 579 HB3 ARG 70 HB1 ARG 70 -11.829 -13.213 -0.930 580 HG2 ARG 70 HG2 ARG 70 -10.859 -12.055 -2.824 581 HG3 ARG 70 HG1 ARG 70 -9.318 -12.873 -2.559 582 HD2 ARG 70 HD2 ARG 70 -10.352 -15.018 -3.010 583 HD3 ARG 70 HD1 ARG 70 -11.925 -14.246 -3.189 584 HE ARG 70 HE ARG 70 -10.131 -13.075 -5.001 585 HH11 ARG 70 HH11 ARG 70 -11.729 -16.133 -4.434 586 HH12 ARG 70 HH12 ARG 70 -11.826 -16.547 -6.113 587 HH21 ARG 70 HH21 ARG 70 -10.268 -13.612 -7.226 588 HH22 ARG 70 HH22 ARG 70 -11.005 -15.108 -7.702 589 H ASN 71 HN ASN 71 -9.985 -10.554 1.895 590 HA ASN 71 HA ASN 71 -10.628 -12.598 3.887 591 HB2 ASN 71 HB2 ASN 71 -8.564 -11.008 3.923 592 HB3 ASN 71 HB1 ASN 71 -9.674 -9.800 4.489 593 HD21 ASN 71 HD21 ASN 71 -7.486 -10.596 5.696 594 HD22 ASN 71 HD22 ASN 71 -7.976 -11.255 7.184 595 H ASP 72 HN ASP 72 -11.869 -11.631 5.859 596 HA ASP 72 HA ASP 72 -14.232 -10.258 4.807 597 HB2 ASP 72 HB2 ASP 72 -13.821 -11.895 7.310 598 HB3 ASP 72 HB1 ASP 72 -15.290 -10.976 6.992 599 H ASP 73 HN ASP 73 -11.636 -9.081 5.513 600 HA ASP 73 HA ASP 73 -12.650 -6.742 6.888 601 HB2 ASP 73 HB2 ASP 73 -11.849 -8.171 8.778 602 HB3 ASP 73 HB1 ASP 73 -10.271 -8.269 8.007 603 H LEU 74 HN LEU 74 -12.447 -5.751 5.231 604 HA LEU 74 HA LEU 74 -10.607 -5.047 3.513 605 HB2 LEU 74 HB2 LEU 74 -12.589 -3.789 3.859 606 HB3 LEU 74 HB1 LEU 74 -12.133 -3.528 5.544 607 HG LEU 74 HG LEU 74 -10.576 -1.831 4.961 608 HD11 LEU 74 HD11 LEU 74 -9.473 -2.791 3.088 609 HD12 LEU 74 HD12 LEU 74 -10.107 -1.218 2.597 610 HD13 LEU 74 HD13 LEU 74 -10.936 -2.698 2.104 611 HD21 LEU 74 HD21 LEU 74 -11.943 -0.210 3.742 612 HD22 LEU 74 HD22 LEU 74 -12.890 -1.102 4.933 613 HD23 LEU 74 HD23 LEU 74 -13.015 -1.510 3.222 614 H TYR 75 HN TYR 75 -10.523 -4.260 6.935 615 HA TYR 75 HA TYR 75 -8.375 -2.482 6.560 616 HB2 TYR 75 HB2 TYR 75 -10.216 -2.914 8.641 617 HB3 TYR 75 HB1 TYR 75 -8.634 -3.241 9.323 618 HD1 TYR 75 HD1 TYR 75 -10.799 -1.119 9.606 619 HD2 TYR 75 HD2 TYR 75 -7.049 -1.409 7.742 620 HE1 TYR 75 HE1 TYR 75 -10.510 1.202 9.878 621 HE2 TYR 75 HE2 TYR 75 -6.729 0.941 8.010 622 HH TYR 75 HH TYR 75 -8.679 2.902 10.009 623 H ALA 76 HN ALA 76 -8.739 -5.792 6.956 624 HA ALA 76 HA ALA 76 -6.170 -6.360 8.148 625 HB1 ALA 76 HB1 ALA 76 -8.217 -7.771 8.495 626 HB2 ALA 76 HB2 ALA 76 -6.804 -8.660 7.919 627 HB3 ALA 76 HB3 ALA 76 -8.100 -8.235 6.794 628 H GLY 77 HN GLY 77 -7.786 -6.251 5.044 629 HA2 GLY 77 HA2 GLY 77 -5.626 -7.393 3.563 630 HA3 GLY 77 HA1 GLY 77 -6.983 -6.458 2.940 631 H ILE 78 HN ILE 78 -6.800 -4.079 3.981 632 HA ILE 78 HA ILE 78 -4.656 -2.877 2.718 633 HB ILE 78 HB ILE 78 -7.087 -2.064 3.932 634 HG12 ILE 78 HG12 ILE 78 -6.633 0.043 2.682 635 HG13 ILE 78 HG11 ILE 78 -4.993 -0.525 2.391 636 HG21 ILE 78 HG21 ILE 78 -6.497 -0.012 5.100 637 HG22 ILE 78 HG22 ILE 78 -4.788 -0.431 4.985 638 HG23 ILE 78 HG23 ILE 78 -5.879 -1.432 5.943 639 HD11 ILE 78 HD11 ILE 78 -6.402 -0.898 0.457 640 HD12 ILE 78 HD12 ILE 78 -7.522 -1.848 1.435 641 HD13 ILE 78 HD13 ILE 78 -5.882 -2.435 1.151 642 H ASP 79 HN ASP 79 -5.089 -4.057 6.080 643 HA ASP 79 HA ASP 79 -2.605 -2.900 7.131 644 HB2 ASP 79 HB2 ASP 79 -4.479 -3.695 8.607 645 HB3 ASP 79 HB1 ASP 79 -4.101 -5.342 8.112 646 H LEU 80 HN LEU 80 -3.494 -6.016 5.691 647 HA LEU 80 HA LEU 80 -0.968 -7.135 5.819 648 HB2 LEU 80 HB2 LEU 80 -3.218 -7.964 4.684 649 HB3 LEU 80 HB1 LEU 80 -2.505 -7.267 3.250 650 HG LEU 80 HG LEU 80 -1.167 -9.414 4.901 651 HD11 LEU 80 HD11 LEU 80 -2.779 -9.653 2.365 652 HD12 LEU 80 HD12 LEU 80 -3.228 -10.275 3.954 653 HD13 LEU 80 HD13 LEU 80 -1.834 -10.945 3.105 654 HD21 LEU 80 HD21 LEU 80 0.253 -9.695 2.939 655 HD22 LEU 80 HD22 LEU 80 0.372 -8.051 3.570 656 HD23 LEU 80 HD23 LEU 80 -0.590 -8.374 2.127 657 H ILE 81 HN ILE 81 -2.322 -4.764 3.576 658 HA ILE 81 HA ILE 81 0.220 -4.471 2.266 659 HB ILE 81 HB ILE 81 -2.114 -4.057 1.278 660 HG12 ILE 81 HG12 ILE 81 0.260 -3.761 0.322 661 HG13 ILE 81 HG11 ILE 81 -1.066 -2.956 -0.494 662 HG21 ILE 81 HG21 ILE 81 -2.776 -2.293 2.872 663 HG22 ILE 81 HG22 ILE 81 -2.837 -1.765 1.192 664 HG23 ILE 81 HG23 ILE 81 -1.496 -1.269 2.223 665 HD11 ILE 81 HD11 ILE 81 -0.478 -0.884 0.753 666 HD12 ILE 81 HD12 ILE 81 0.759 -1.448 -0.364 667 HD13 ILE 81 HD13 ILE 81 0.940 -1.738 1.364 668 H ASN 82 HN ASN 82 -1.447 -2.523 4.749 669 HA ASN 82 HA ASN 82 0.373 -0.355 4.694 670 HB2 ASN 82 HB2 ASN 82 -1.759 -0.121 5.832 671 HB3 ASN 82 HB1 ASN 82 -1.366 -1.438 6.921 672 HD21 ASN 82 HD21 ASN 82 -0.763 1.897 6.141 673 HD22 ASN 82 HD22 ASN 82 0.030 2.304 7.624 674 H ASN 83 HN ASN 83 0.310 -3.393 6.325 675 HA ASN 83 HA ASN 83 2.481 -2.756 8.099 676 HB2 ASN 83 HB2 ASN 83 1.400 -4.312 9.300 677 HB3 ASN 83 HB1 ASN 83 0.214 -4.424 7.960 678 HD21 ASN 83 HD21 ASN 83 2.904 -5.908 9.606 679 HD22 ASN 83 HD22 ASN 83 2.857 -7.416 8.763 680 H LYS 84 HN LYS 84 1.887 -4.905 5.330 681 HA LYS 84 HA LYS 84 4.605 -5.606 4.903 682 HB2 LYS 84 HB2 LYS 84 2.779 -6.826 3.812 683 HB3 LYS 84 HB1 LYS 84 2.332 -5.385 2.915 684 HG2 LYS 84 HG2 LYS 84 4.623 -5.465 1.870 685 HG3 LYS 84 HG1 LYS 84 4.808 -7.059 2.606 686 HD2 LYS 84 HD2 LYS 84 2.840 -7.857 1.414 687 HD3 LYS 84 HD1 LYS 84 2.597 -6.256 0.713 688 HE2 LYS 84 HE2 LYS 84 4.836 -6.452 -0.354 689 HE3 LYS 84 HE1 LYS 84 4.931 -8.107 0.248 690 HZ1 LYS 84 HZ1 LYS 84 4.173 -8.113 -2.010 691 HZ2 LYS 84 HZ2 LYS 84 2.923 -7.032 -1.656 692 HZ3 LYS 84 HZ3 LYS 84 2.896 -8.596 -1.016 693 H LEU 85 HN LEU 85 2.787 -2.737 4.363 694 HA LEU 85 HA LEU 85 4.470 -1.551 2.414 695 HB2 LEU 85 HB2 LEU 85 2.165 -0.744 2.908 696 HB3 LEU 85 HB1 LEU 85 2.734 -0.163 4.460 697 HG LEU 85 HG LEU 85 4.207 0.863 2.119 698 HD11 LEU 85 HD11 LEU 85 1.981 0.873 1.188 699 HD12 LEU 85 HD12 LEU 85 2.447 2.520 1.616 700 HD13 LEU 85 HD13 LEU 85 1.339 1.618 2.650 701 HD21 LEU 85 HD21 LEU 85 4.014 2.954 3.405 702 HD22 LEU 85 HD22 LEU 85 4.688 1.638 4.368 703 HD23 LEU 85 HD23 LEU 85 3.005 2.117 4.585 704 H GLU 86 HN GLU 86 4.238 -1.219 5.956 705 HA GLU 86 HA GLU 86 6.575 0.223 6.322 706 HB2 GLU 86 HB2 GLU 86 5.168 -0.245 8.187 707 HB3 GLU 86 HB1 GLU 86 5.300 -1.977 7.933 708 HG2 GLU 86 HG2 GLU 86 7.600 -1.951 8.639 709 HG3 GLU 86 HG1 GLU 86 7.589 -0.191 8.731 710 H ARG 87 HN ARG 87 6.091 -3.304 6.004 711 HA ARG 87 HA ARG 87 8.764 -4.054 6.190 712 HB2 ARG 87 HB2 ARG 87 7.121 -5.715 6.333 713 HB3 ARG 87 HB1 ARG 87 6.548 -5.289 4.753 714 HG2 ARG 87 HG2 ARG 87 8.663 -6.072 3.768 715 HG3 ARG 87 HG1 ARG 87 9.167 -6.584 5.378 716 HD2 ARG 87 HD2 ARG 87 7.390 -8.194 5.485 717 HD3 ARG 87 HD1 ARG 87 6.695 -7.594 3.979 718 HE ARG 87 HE ARG 87 9.326 -8.368 3.461 719 HH11 ARG 87 HH11 ARG 87 6.284 -9.855 4.349 720 HH12 ARG 87 HH12 ARG 87 6.667 -11.371 3.597 721 HH21 ARG 87 HH21 ARG 87 9.816 -10.351 2.449 722 HH22 ARG 87 HH22 ARG 87 8.672 -11.656 2.518 723 H GLN 88 HN GLN 88 7.014 -2.867 3.370 724 HA GLN 88 HA GLN 88 9.094 -3.926 1.590 725 HB2 GLN 88 HB2 GLN 88 6.535 -4.134 1.179 726 HB3 GLN 88 HB1 GLN 88 6.618 -2.442 0.752 727 HG2 GLN 88 HG2 GLN 88 6.704 -3.944 -1.198 728 HG3 GLN 88 HG1 GLN 88 8.101 -2.880 -1.061 729 HE21 GLN 88 HE21 GLN 88 9.336 -4.238 -2.357 730 HE22 GLN 88 HE22 GLN 88 9.958 -5.745 -1.779 731 H VAL 89 HN VAL 89 7.435 -1.041 2.531 732 HA VAL 89 HA VAL 89 8.779 0.777 0.984 733 HB VAL 89 HB VAL 89 7.246 0.880 3.503 734 HG11 VAL 89 HG11 VAL 89 7.624 3.317 3.730 735 HG12 VAL 89 HG12 VAL 89 8.847 3.244 2.462 736 HG13 VAL 89 HG13 VAL 89 9.113 2.408 3.993 737 HG21 VAL 89 HG21 VAL 89 5.894 2.466 2.205 738 HG22 VAL 89 HG22 VAL 89 6.128 0.945 1.344 739 HG23 VAL 89 HG23 VAL 89 7.055 2.371 0.881 740 H ARG 90 HN ARG 90 9.430 -0.427 4.230 741 HA ARG 90 HA ARG 90 11.879 1.005 4.538 742 HB2 ARG 90 HB2 ARG 90 10.947 -1.510 5.916 743 HB3 ARG 90 HB1 ARG 90 12.459 -0.688 6.289 744 HG2 ARG 90 HG2 ARG 90 9.693 0.488 6.567 745 HG3 ARG 90 HG1 ARG 90 10.692 -0.126 7.882 746 HD2 ARG 90 HD2 ARG 90 11.389 2.187 6.079 747 HD3 ARG 90 HD1 ARG 90 10.771 2.320 7.721 748 HE ARG 90 HE ARG 90 13.130 0.739 7.647 749 HH11 ARG 90 HH11 ARG 90 11.995 4.044 7.515 750 HH12 ARG 90 HH12 ARG 90 13.470 4.714 8.137 751 HH21 ARG 90 HH21 ARG 90 15.081 1.621 8.471 752 HH22 ARG 90 HH22 ARG 90 15.225 3.339 8.666 753 H LYS 91 HN LYS 91 11.145 -2.253 3.306 754 HA LYS 91 HA LYS 91 13.745 -3.150 3.059 755 HB2 LYS 91 HB2 LYS 91 11.908 -4.621 2.791 756 HB3 LYS 91 HB1 LYS 91 11.472 -3.709 1.400 757 HG2 LYS 91 HG2 LYS 91 12.478 -5.756 0.675 758 HG3 LYS 91 HG1 LYS 91 13.526 -4.400 0.257 759 HD2 LYS 91 HD2 LYS 91 14.867 -4.841 2.277 760 HD3 LYS 91 HD1 LYS 91 13.832 -6.222 2.643 761 HE2 LYS 91 HE2 LYS 91 15.569 -5.885 0.199 762 HE3 LYS 91 HE1 LYS 91 15.888 -6.952 1.565 763 HZ1 LYS 91 HZ1 LYS 91 13.608 -7.165 -0.329 764 HZ2 LYS 91 HZ2 LYS 91 13.846 -8.163 1.014 765 HZ3 LYS 91 HZ3 LYS 91 14.951 -8.187 -0.260 766 H TYR 92 HN TYR 92 11.718 -1.412 0.873 767 HA TYR 92 HA TYR 92 13.618 -1.347 -1.251 768 HB2 TYR 92 HB2 TYR 92 10.984 -1.036 -1.230 769 HB3 TYR 92 HB1 TYR 92 11.421 0.665 -1.101 770 HD1 TYR 92 HD1 TYR 92 12.695 1.756 -2.929 771 HD2 TYR 92 HD2 TYR 92 11.297 -2.246 -3.257 772 HE1 TYR 92 HE1 TYR 92 13.042 1.840 -5.361 773 HE2 TYR 92 HE2 TYR 92 11.635 -2.174 -5.690 774 HH TYR 92 HH TYR 92 13.428 0.245 -7.224 775 H LYS 93 HN LYS 93 12.447 1.181 1.006 776 HA LYS 93 HA LYS 93 14.155 3.166 -0.069 777 HB2 LYS 93 HB2 LYS 93 13.395 4.615 1.617 778 HB3 LYS 93 HB1 LYS 93 12.033 3.566 1.283 779 HG2 LYS 93 HG2 LYS 93 11.925 3.497 3.533 780 HG3 LYS 93 HG1 LYS 93 13.115 2.213 3.318 781 HD2 LYS 93 HD2 LYS 93 13.816 3.737 5.074 782 HD3 LYS 93 HD1 LYS 93 14.922 3.819 3.704 783 HE2 LYS 93 HE2 LYS 93 14.436 6.037 4.605 784 HE3 LYS 93 HE1 LYS 93 13.861 5.875 2.951 785 HZ1 LYS 93 HZ1 LYS 93 12.158 5.619 5.371 786 HZ2 LYS 93 HZ2 LYS 93 11.626 5.572 3.766 787 HZ3 LYS 93 HZ3 LYS 93 12.267 6.999 4.402 788 H THR 94 HN THR 94 14.477 0.971 2.692 789 HA THR 94 HA THR 94 16.870 2.178 3.600 790 HB THR 94 HB THR 94 15.621 -0.505 4.225 791 HG1 THR 94 HG1 THR 94 15.204 0.572 6.210 792 HG21 THR 94 HG21 THR 94 18.052 -0.702 4.497 793 HG22 THR 94 HG22 THR 94 17.242 -0.684 6.062 794 HG23 THR 94 HG23 THR 94 18.067 0.760 5.481 795 H ARG 95 HN ARG 95 16.184 -0.650 1.526 796 HA ARG 95 HA ARG 95 18.904 -1.377 1.209 797 HB2 ARG 95 HB2 ARG 95 17.039 -2.892 0.694 798 HB3 ARG 95 HB1 ARG 95 16.573 -1.867 -0.651 799 HG2 ARG 95 HG2 ARG 95 17.761 -3.836 -1.415 800 HG3 ARG 95 HG1 ARG 95 18.668 -2.371 -1.781 801 HD2 ARG 95 HD2 ARG 95 19.238 -3.859 0.745 802 HD3 ARG 95 HD1 ARG 95 19.868 -4.474 -0.780 803 HE ARG 95 HE ARG 95 20.511 -1.761 -0.621 804 HH11 ARG 95 HH11 ARG 95 21.273 -4.731 1.068 805 HH12 ARG 95 HH12 ARG 95 22.885 -4.240 1.473 806 HH21 ARG 95 HH21 ARG 95 22.647 -1.116 -0.093 807 HH22 ARG 95 HH22 ARG 95 23.658 -2.174 0.836 808 H ILE 96 HN ILE 96 16.805 0.858 -0.590 809 HA ILE 96 HA ILE 96 18.786 1.296 -2.617 810 HB ILE 96 HB ILE 96 16.284 1.603 -2.948 811 HG12 ILE 96 HG12 ILE 96 16.595 3.554 -4.480 812 HG13 ILE 96 HG11 ILE 96 18.185 3.807 -3.765 813 HG21 ILE 96 HG21 ILE 96 15.302 3.741 -2.412 814 HG22 ILE 96 HG22 ILE 96 16.808 4.280 -1.670 815 HG23 ILE 96 HG23 ILE 96 15.886 2.969 -0.937 816 HD11 ILE 96 HD11 ILE 96 18.317 2.622 -5.887 817 HD12 ILE 96 HD12 ILE 96 17.299 1.338 -5.238 818 HD13 ILE 96 HD13 ILE 96 18.898 1.624 -4.555 819 H ASN 97 HN ASN 97 17.905 2.890 0.402 820 HA ASN 97 HA ASN 97 19.586 5.161 0.044 821 HB2 ASN 97 HB2 ASN 97 18.299 3.874 2.436 822 HB3 ASN 97 HB1 ASN 97 19.489 5.150 2.659 823 HD21 ASN 97 HD21 ASN 97 17.406 5.163 -0.117 824 HD22 ASN 97 HD22 ASN 97 16.416 6.487 0.384 825 H ARG 98 HN ARG 98 20.046 1.952 1.433 826 HA ARG 98 HA ARG 98 22.770 2.431 2.187 827 HB2 ARG 98 HB2 ARG 98 21.200 -0.122 1.823 828 HB3 ARG 98 HB1 ARG 98 22.861 -0.074 2.386 829 HG2 ARG 98 HG2 ARG 98 20.494 1.170 3.764 830 HG3 ARG 98 HG1 ARG 98 21.315 -0.317 4.238 831 HD2 ARG 98 HD2 ARG 98 22.438 2.479 4.245 832 HD3 ARG 98 HD1 ARG 98 22.092 1.463 5.642 833 HE ARG 98 HE ARG 98 24.286 1.061 3.715 834 HH11 ARG 98 HH11 ARG 98 22.758 0.265 6.762 835 HH12 ARG 98 HH12 ARG 98 24.184 -0.460 7.430 836 HH21 ARG 98 HH21 ARG 98 26.139 0.099 4.553 837 HH22 ARG 98 HH22 ARG 98 26.121 -0.569 6.163 838 H LYS 99 HN LYS 99 21.267 1.996 -0.775 839 HA LYS 99 HA LYS 99 23.583 0.760 -2.039 840 HB2 LYS 99 HB2 LYS 99 21.301 0.103 -2.742 841 HB3 LYS 99 HB1 LYS 99 21.002 1.756 -3.262 842 HG2 LYS 99 HG2 LYS 99 22.783 1.557 -4.924 843 HG3 LYS 99 HG1 LYS 99 23.078 -0.103 -4.403 844 HD2 LYS 99 HD2 LYS 99 20.765 -0.683 -5.023 845 HD3 LYS 99 HD1 LYS 99 20.522 0.968 -5.593 846 HE2 LYS 99 HE2 LYS 99 21.007 -0.505 -7.456 847 HE3 LYS 99 HE1 LYS 99 22.313 0.657 -7.235 848 HZ1 LYS 99 HZ1 LYS 99 23.132 -1.584 -7.654 849 HZ2 LYS 99 HZ2 LYS 99 22.345 -2.151 -6.272 850 HZ3 LYS 99 HZ3 LYS 99 23.606 -1.036 -6.130 851 H SER 100 HN SER 100 21.821 3.827 -2.029 852 HA SER 100 HA SER 100 23.636 5.028 -3.911 853 HB2 SER 100 HB2 SER 100 22.247 7.094 -3.386 854 HB3 SER 100 HB1 SER 100 21.364 5.722 -4.057 855 HG SER 100 HG SER 100 20.161 5.912 -2.350 856 H ARG 101 HN ARG 101 22.925 5.405 -0.449 857 HA ARG 101 HA ARG 101 25.163 7.275 -0.218 858 HB2 ARG 101 HB2 ARG 101 23.195 6.494 1.937 859 HB3 ARG 101 HB1 ARG 101 24.264 7.891 1.916 860 HG2 ARG 101 HG2 ARG 101 23.000 8.725 -0.071 861 HG3 ARG 101 HG1 ARG 101 21.858 7.405 0.177 862 HD2 ARG 101 HD2 ARG 101 22.486 9.652 2.083 863 HD3 ARG 101 HD1 ARG 101 20.993 9.413 1.183 864 HE ARG 101 HE ARG 101 21.837 7.392 3.143 865 HH11 ARG 101 HH11 ARG 101 19.556 9.839 2.103 866 HH12 ARG 101 HH12 ARG 101 18.409 9.472 3.348 867 HH21 ARG 101 HH21 ARG 101 20.355 6.918 4.773 868 HH22 ARG 101 HH22 ARG 101 18.860 7.802 4.878 869 H ASP 102 HN ASP 102 23.910 4.678 1.864 870 HA ASP 102 HA ASP 102 24.925 3.092 3.129 871 HB2 ASP 102 HB2 ASP 102 25.523 2.260 0.845 872 HB3 ASP 102 HB1 ASP 102 27.058 3.109 0.985 873 H ARG 103 HN ARG 103 25.264 5.089 4.512 874 HA ARG 103 HA ARG 103 28.155 5.403 5.055 875 HB2 ARG 103 HB2 ARG 103 25.954 7.431 5.503 876 HB3 ARG 103 HB1 ARG 103 27.643 7.646 5.940 877 HG2 ARG 103 HG2 ARG 103 28.269 7.515 3.580 878 HG3 ARG 103 HG1 ARG 103 26.570 7.314 3.146 879 HD2 ARG 103 HD2 ARG 103 27.263 9.625 2.844 880 HD3 ARG 103 HD1 ARG 103 26.067 9.495 4.133 881 HE ARG 103 HE ARG 103 28.810 9.428 5.032 882 HH11 ARG 103 HH11 ARG 103 26.035 11.452 4.338 883 HH12 ARG 103 HH12 ARG 103 26.598 12.768 5.316 884 HH21 ARG 103 HH21 ARG 103 29.543 11.153 6.318 885 HH22 ARG 103 HH22 ARG 103 28.594 12.599 6.443 886 H GLY 104 HN GLY 104 26.462 3.352 6.086 887 HA2 GLY 104 HA2 GLY 104 25.930 2.361 8.099 888 HA3 GLY 104 HA1 GLY 104 26.765 3.690 8.902 889 H ASP 105 HN ASP 105 24.040 3.707 6.684 890 HA ASP 105 HA ASP 105 22.668 5.780 7.942 891 HB2 ASP 105 HB2 ASP 105 21.523 3.637 6.141 892 HB3 ASP 105 HB1 ASP 105 20.821 5.221 6.451 893 H GLN 106 HN GLN 106 22.757 2.427 8.664 894 HA GLN 106 HA GLN 106 20.308 2.145 10.041 895 HB2 GLN 106 HB2 GLN 106 21.694 0.232 9.357 896 HB3 GLN 106 HB1 GLN 106 22.951 0.739 10.473 897 HG2 GLN 106 HG2 GLN 106 21.235 0.467 12.310 898 HG3 GLN 106 HG1 GLN 106 20.234 -0.352 11.111 899 HE21 GLN 106 HE21 GLN 106 23.130 -0.479 13.009 900 HE22 GLN 106 HE22 GLN 106 23.461 -2.164 12.754 901 H GLU 107 HN GLU 107 23.396 3.501 10.889 902 HA GLU 107 HA GLU 107 22.748 3.544 13.730 903 HB2 GLU 107 HB2 GLU 107 25.277 4.385 12.303 904 HB3 GLU 107 HB1 GLU 107 25.072 4.225 14.043 905 HG2 GLU 107 HG2 GLU 107 24.838 1.969 12.064 906 HG3 GLU 107 HG1 GLU 107 26.269 2.329 13.029 907 H VAL 108 HN VAL 108 21.149 5.144 12.129 908 HA VAL 108 HA VAL 108 22.054 7.878 12.656 909 HB VAL 108 HB VAL 108 20.975 7.243 10.453 910 HG11 VAL 108 HG11 VAL 108 18.533 7.104 10.375 911 HG12 VAL 108 HG12 VAL 108 18.481 7.115 12.138 912 HG13 VAL 108 HG13 VAL 108 19.242 5.771 11.286 913 HG21 VAL 108 HG21 VAL 108 21.165 9.562 11.133 914 HG22 VAL 108 HG22 VAL 108 19.665 9.437 12.051 915 HG23 VAL 108 HG23 VAL 108 19.636 9.292 10.295 916 H PHE 109 HN PHE 109 20.907 5.540 14.420 917 HA PHE 109 HA PHE 109 18.919 7.140 15.878 918 HB2 PHE 109 HB2 PHE 109 19.414 4.155 15.937 919 HB3 PHE 109 HB1 PHE 109 18.189 5.002 16.871 920 HD1 PHE 109 HD1 PHE 109 19.070 3.596 13.667 921 HD2 PHE 109 HD2 PHE 109 16.274 6.064 15.712 922 HE1 PHE 109 HE1 PHE 109 17.483 3.332 11.806 923 HE2 PHE 109 HE2 PHE 109 14.680 5.807 13.855 924 HZ PHE 109 HZ PHE 109 15.286 4.438 11.897 925 H VAL 110 HN VAL 110 22.019 6.943 15.924 926 HA VAL 110 HA VAL 110 22.382 6.245 18.749 927 HB VAL 110 HB VAL 110 24.512 6.860 16.692 928 HG11 VAL 110 HG11 VAL 110 26.019 5.774 18.301 929 HG12 VAL 110 HG12 VAL 110 24.676 5.607 19.430 930 HG13 VAL 110 HG13 VAL 110 25.251 7.211 18.977 931 HG21 VAL 110 HG21 VAL 110 23.259 4.876 16.035 932 HG22 VAL 110 HG22 VAL 110 23.507 4.178 17.636 933 HG23 VAL 110 HG23 VAL 110 24.884 4.446 16.567 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -1.536 14.735 -6.272 2 H2 MET 1 HT2 MET 1 -0.260 14.168 -7.221 3 H3 MET 1 HT3 MET 1 -0.143 15.674 -6.465 4 HA MET 1 HA MET 1 1.156 14.002 -5.345 5 HB2 MET 1 HB2 MET 1 0.190 14.335 -3.059 6 HB3 MET 1 HB1 MET 1 0.412 15.807 -3.993 7 HG2 MET 1 HG2 MET 1 -1.968 15.600 -4.667 8 HG3 MET 1 HG1 MET 1 -2.136 14.338 -3.454 9 HE1 MET 1 HE1 MET 1 -0.174 15.422 -1.152 10 HE2 MET 1 HE2 MET 1 -1.765 14.719 -0.859 11 HE3 MET 1 HE3 MET 1 -1.342 16.274 -0.141 12 H ILE 2 HN ILE 2 -0.062 12.657 -3.048 13 HA ILE 2 HA ILE 2 -0.356 10.085 -4.101 14 HB ILE 2 HB ILE 2 -1.379 11.100 -1.443 15 HG12 ILE 2 HG12 ILE 2 1.315 9.995 -2.264 16 HG13 ILE 2 HG11 ILE 2 0.970 11.613 -1.668 17 HG21 ILE 2 HG21 ILE 2 -2.336 8.961 -1.951 18 HG22 ILE 2 HG22 ILE 2 -1.075 8.734 -0.738 19 HG23 ILE 2 HG23 ILE 2 -0.765 8.317 -2.423 20 HD11 ILE 2 HD11 ILE 2 1.991 10.352 0.076 21 HD12 ILE 2 HD12 ILE 2 0.826 9.042 -0.121 22 HD13 ILE 2 HD13 ILE 2 0.297 10.605 0.494 23 H ARG 3 HN ARG 3 -1.976 9.288 -5.283 24 HA ARG 3 HA ARG 3 -4.697 10.190 -4.726 25 HB2 ARG 3 HB2 ARG 3 -4.894 9.621 -7.267 26 HB3 ARG 3 HB1 ARG 3 -4.382 11.211 -6.746 27 HG2 ARG 3 HG2 ARG 3 -2.039 10.488 -7.092 28 HG3 ARG 3 HG1 ARG 3 -2.642 8.947 -7.709 29 HD2 ARG 3 HD2 ARG 3 -3.864 10.139 -9.465 30 HD3 ARG 3 HD1 ARG 3 -3.240 11.668 -8.854 31 HE ARG 3 HE ARG 3 -1.159 9.817 -9.515 32 HH11 ARG 3 HH11 ARG 3 -3.377 12.186 -10.812 33 HH12 ARG 3 HH12 ARG 3 -2.406 12.528 -12.208 34 HH21 ARG 3 HH21 ARG 3 0.133 10.259 -11.339 35 HH22 ARG 3 HH22 ARG 3 -0.397 11.423 -12.509 36 H PHE 4 HN PHE 4 -6.326 8.664 -4.993 37 HA PHE 4 HA PHE 4 -5.393 5.891 -5.052 38 HB2 PHE 4 HB2 PHE 4 -7.553 5.407 -3.860 39 HB3 PHE 4 HB1 PHE 4 -6.404 6.395 -2.970 40 HD1 PHE 4 HD1 PHE 4 -6.857 8.687 -2.446 41 HD2 PHE 4 HD2 PHE 4 -9.635 6.373 -4.693 42 HE1 PHE 4 HE1 PHE 4 -8.585 10.396 -2.063 43 HE2 PHE 4 HE2 PHE 4 -11.365 8.078 -4.314 44 HZ PHE 4 HZ PHE 4 -10.842 10.094 -2.998 45 H GLU 5 HN GLU 5 -6.056 4.548 -6.573 46 HA GLU 5 HA GLU 5 -8.320 5.331 -8.282 47 HB2 GLU 5 HB2 GLU 5 -6.099 3.450 -9.094 48 HB3 GLU 5 HB1 GLU 5 -7.293 4.212 -10.124 49 HG2 GLU 5 HG2 GLU 5 -6.222 6.340 -9.896 50 HG3 GLU 5 HG1 GLU 5 -5.101 5.687 -8.696 51 H ILE 6 HN ILE 6 -9.692 4.376 -6.877 52 HA ILE 6 HA ILE 6 -9.300 1.555 -6.241 53 HB ILE 6 HB ILE 6 -11.317 3.610 -5.335 54 HG12 ILE 6 HG12 ILE 6 -9.086 2.377 -3.720 55 HG13 ILE 6 HG11 ILE 6 -8.920 3.896 -4.594 56 HG21 ILE 6 HG21 ILE 6 -12.090 1.988 -3.688 57 HG22 ILE 6 HG22 ILE 6 -10.873 0.827 -4.209 58 HG23 ILE 6 HG23 ILE 6 -12.201 1.248 -5.290 59 HD11 ILE 6 HD11 ILE 6 -9.393 4.369 -2.304 60 HD12 ILE 6 HD12 ILE 6 -10.799 3.305 -2.322 61 HD13 ILE 6 HD13 ILE 6 -10.815 4.799 -3.256 62 H HIS 7 HN HIS 7 -10.389 0.078 -7.290 63 HA HIS 7 HA HIS 7 -12.932 0.741 -8.651 64 HB2 HIS 7 HB2 HIS 7 -10.845 -1.361 -9.129 65 HB3 HIS 7 HB1 HIS 7 -12.518 -1.650 -9.589 66 HD1 HIS 7 HD1 HIS 7 -10.933 1.744 -10.017 67 HD2 HIS 7 HD2 HIS 7 -11.932 -1.567 -12.326 68 HE1 HIS 7 HE1 HIS 7 -10.618 2.459 -12.402 69 HE2 HIS 7 HE2 HIS 7 -11.409 0.506 -13.774 70 H GLY 8 HN GLY 8 -14.267 0.511 -6.778 71 HA2 GLY 8 HA2 GLY 8 -13.751 -2.021 -5.451 72 HA3 GLY 8 HA1 GLY 8 -14.231 -0.597 -4.549 73 H ASP 9 HN ASP 9 -15.280 -3.391 -6.213 74 HA ASP 9 HA ASP 9 -18.016 -2.464 -6.507 75 HB2 ASP 9 HB2 ASP 9 -16.598 -5.001 -7.236 76 HB3 ASP 9 HB1 ASP 9 -18.356 -4.957 -7.173 77 H ASN 10 HN ASN 10 -18.545 -2.031 -4.404 78 HA ASN 10 HA ASN 10 -19.076 -4.422 -2.776 79 HB2 ASN 10 HB2 ASN 10 -18.718 -3.108 -0.756 80 HB3 ASN 10 HB1 ASN 10 -17.283 -3.033 -1.772 81 HD21 ASN 10 HD21 ASN 10 -16.801 -1.094 -2.858 82 HD22 ASN 10 HD22 ASN 10 -17.476 0.410 -2.344 83 H LEU 11 HN LEU 11 -20.528 -2.577 -4.774 84 HA LEU 11 HA LEU 11 -22.645 -1.906 -5.179 85 HB2 LEU 11 HB2 LEU 11 -23.421 -3.904 -4.077 86 HB3 LEU 11 HB1 LEU 11 -23.215 -3.167 -2.502 87 HG LEU 11 HG LEU 11 -25.012 -1.562 -3.029 88 HD11 LEU 11 HD11 LEU 11 -26.433 -1.949 -4.992 89 HD12 LEU 11 HD12 LEU 11 -25.295 -3.169 -5.562 90 HD13 LEU 11 HD13 LEU 11 -24.792 -1.484 -5.441 91 HD21 LEU 11 HD21 LEU 11 -25.767 -4.458 -3.377 92 HD22 LEU 11 HD22 LEU 11 -26.863 -3.158 -2.912 93 HD23 LEU 11 HD23 LEU 11 -25.537 -3.617 -1.844 94 H THR 12 HN THR 12 -21.938 -1.315 -1.741 95 HA THR 12 HA THR 12 -23.289 1.235 -1.813 96 HB THR 12 HB THR 12 -22.391 1.355 0.582 97 HG1 THR 12 HG1 THR 12 -20.755 -0.373 -0.006 98 HG21 THR 12 HG21 THR 12 -24.045 -0.267 1.399 99 HG22 THR 12 HG22 THR 12 -24.153 -0.966 -0.217 100 HG23 THR 12 HG23 THR 12 -24.684 0.694 0.065 101 H ILE 13 HN ILE 13 -20.980 0.961 -3.558 102 HA ILE 13 HA ILE 13 -18.790 2.348 -2.345 103 HB ILE 13 HB ILE 13 -18.231 0.885 -4.140 104 HG12 ILE 13 HG12 ILE 13 -17.977 3.738 -5.113 105 HG13 ILE 13 HG11 ILE 13 -16.914 2.963 -3.944 106 HG21 ILE 13 HG21 ILE 13 -20.340 0.836 -5.324 107 HG22 ILE 13 HG22 ILE 13 -19.026 1.202 -6.440 108 HG23 ILE 13 HG23 ILE 13 -20.093 2.491 -5.882 109 HD11 ILE 13 HD11 ILE 13 -17.267 2.156 -6.819 110 HD12 ILE 13 HD12 ILE 13 -16.205 1.371 -5.650 111 HD13 ILE 13 HD13 ILE 13 -15.899 3.038 -6.141 112 H THR 14 HN THR 14 -19.073 4.343 -1.689 113 HA THR 14 HA THR 14 -19.899 6.354 -3.596 114 HB THR 14 HB THR 14 -22.023 5.706 -2.558 115 HG1 THR 14 HG1 THR 14 -22.649 7.784 -1.941 116 HG21 THR 14 HG21 THR 14 -20.705 6.462 0.048 117 HG22 THR 14 HG22 THR 14 -21.220 4.846 -0.436 118 HG23 THR 14 HG23 THR 14 -22.420 6.109 -0.162 119 H ASP 15 HN ASP 15 -20.075 8.501 -1.939 120 HA ASP 15 HA ASP 15 -17.418 9.234 -1.581 121 HB2 ASP 15 HB2 ASP 15 -19.168 10.880 -1.856 122 HB3 ASP 15 HB1 ASP 15 -19.924 10.384 -0.346 123 H ALA 16 HN ALA 16 -19.668 7.809 0.684 124 HA ALA 16 HA ALA 16 -18.565 8.277 3.137 125 HB1 ALA 16 HB1 ALA 16 -19.594 5.602 2.216 126 HB2 ALA 16 HB2 ALA 16 -20.628 6.970 2.655 127 HB3 ALA 16 HB3 ALA 16 -19.584 6.226 3.869 128 H ILE 17 HN ILE 17 -17.893 5.300 1.343 129 HA ILE 17 HA ILE 17 -15.719 4.528 2.979 130 HB ILE 17 HB ILE 17 -16.628 3.666 0.261 131 HG12 ILE 17 HG12 ILE 17 -17.043 1.505 1.716 132 HG13 ILE 17 HG11 ILE 17 -16.956 2.644 3.062 133 HG21 ILE 17 HG21 ILE 17 -14.423 2.450 1.920 134 HG22 ILE 17 HG22 ILE 17 -14.245 3.263 0.363 135 HG23 ILE 17 HG23 ILE 17 -15.113 1.730 0.464 136 HD11 ILE 17 HD11 ILE 17 -19.255 2.144 2.293 137 HD12 ILE 17 HD12 ILE 17 -18.865 2.899 0.748 138 HD13 ILE 17 HD13 ILE 17 -18.839 3.852 2.230 139 H ARG 18 HN ARG 18 -15.997 6.108 -0.144 140 HA ARG 18 HA ARG 18 -13.339 6.070 -0.871 141 HB2 ARG 18 HB2 ARG 18 -15.149 6.845 -2.365 142 HB3 ARG 18 HB1 ARG 18 -15.371 8.271 -1.361 143 HG2 ARG 18 HG2 ARG 18 -13.026 8.924 -1.898 144 HG3 ARG 18 HG1 ARG 18 -12.977 7.582 -3.042 145 HD2 ARG 18 HD2 ARG 18 -14.813 8.545 -4.296 146 HD3 ARG 18 HD1 ARG 18 -14.964 9.847 -3.119 147 HE ARG 18 HE ARG 18 -12.642 9.468 -4.904 148 HH11 ARG 18 HH11 ARG 18 -14.793 11.533 -3.066 149 HH12 ARG 18 HH12 ARG 18 -14.044 13.000 -3.598 150 HH21 ARG 18 HH21 ARG 18 -11.646 11.409 -5.589 151 HH22 ARG 18 HH22 ARG 18 -12.254 12.934 -5.025 152 H ASN 19 HN ASN 19 -15.204 8.317 1.101 153 HA ASN 19 HA ASN 19 -13.203 10.071 1.969 154 HB2 ASN 19 HB2 ASN 19 -15.807 10.024 2.411 155 HB3 ASN 19 HB1 ASN 19 -15.349 9.091 3.822 156 HD21 ASN 19 HD21 ASN 19 -14.265 10.057 5.504 157 HD22 ASN 19 HD22 ASN 19 -14.106 11.772 5.643 158 H TYR 20 HN TYR 20 -14.565 7.257 3.619 159 HA TYR 20 HA TYR 20 -12.968 6.876 5.770 160 HB2 TYR 20 HB2 TYR 20 -14.873 5.386 4.839 161 HB3 TYR 20 HB1 TYR 20 -13.619 4.579 3.916 162 HD1 TYR 20 HD1 TYR 20 -15.611 3.860 6.421 163 HD2 TYR 20 HD2 TYR 20 -11.425 4.339 5.840 164 HE1 TYR 20 HE1 TYR 20 -15.174 2.331 8.298 165 HE2 TYR 20 HE2 TYR 20 -10.984 2.818 7.714 166 HH TYR 20 HH TYR 20 -12.148 2.032 9.756 167 H ILE 21 HN ILE 21 -12.065 6.182 2.413 168 HA ILE 21 HA ILE 21 -9.660 4.756 3.234 169 HB ILE 21 HB ILE 21 -10.823 5.422 0.536 170 HG12 ILE 21 HG12 ILE 21 -10.785 2.826 2.106 171 HG13 ILE 21 HG11 ILE 21 -12.197 3.820 1.771 172 HG21 ILE 21 HG21 ILE 21 -8.472 3.658 1.255 173 HG22 ILE 21 HG22 ILE 21 -8.415 5.181 0.369 174 HG23 ILE 21 HG23 ILE 21 -9.188 3.770 -0.351 175 HD11 ILE 21 HD11 ILE 21 -12.002 3.327 -0.595 176 HD12 ILE 21 HD12 ILE 21 -12.106 1.842 0.351 177 HD13 ILE 21 HD13 ILE 21 -10.551 2.375 -0.290 178 H GLU 22 HN GLU 22 -10.890 7.714 2.008 179 HA GLU 22 HA GLU 22 -8.444 8.700 1.094 180 HB2 GLU 22 HB2 GLU 22 -10.625 9.656 0.361 181 HB3 GLU 22 HB1 GLU 22 -10.819 10.332 1.975 182 HG2 GLU 22 HG2 GLU 22 -8.701 11.600 1.615 183 HG3 GLU 22 HG1 GLU 22 -8.712 11.033 -0.052 184 H GLU 23 HN GLU 23 -10.102 8.546 4.047 185 HA GLU 23 HA GLU 23 -8.434 10.260 5.594 186 HB2 GLU 23 HB2 GLU 23 -10.167 7.961 6.505 187 HB3 GLU 23 HB1 GLU 23 -9.615 9.324 7.475 188 HG2 GLU 23 HG2 GLU 23 -11.381 9.555 5.048 189 HG3 GLU 23 HG1 GLU 23 -11.974 9.492 6.729 190 H LYS 24 HN LYS 24 -8.713 6.722 5.203 191 HA LYS 24 HA LYS 24 -6.571 5.946 6.790 192 HB2 LYS 24 HB2 LYS 24 -8.197 4.459 5.593 193 HB3 LYS 24 HB1 LYS 24 -7.323 4.778 4.106 194 HG2 LYS 24 HG2 LYS 24 -6.553 2.693 4.865 195 HG3 LYS 24 HG1 LYS 24 -5.276 3.839 5.279 196 HD2 LYS 24 HD2 LYS 24 -5.935 3.883 7.562 197 HD3 LYS 24 HD1 LYS 24 -7.437 3.031 7.209 198 HE2 LYS 24 HE2 LYS 24 -6.069 1.063 6.510 199 HE3 LYS 24 HE1 LYS 24 -4.639 1.922 7.075 200 HZ1 LYS 24 HZ1 LYS 24 -5.644 0.306 8.686 201 HZ2 LYS 24 HZ2 LYS 24 -6.969 1.359 8.819 202 HZ3 LYS 24 HZ3 LYS 24 -5.427 1.880 9.281 203 H ILE 25 HN ILE 25 -6.519 6.533 3.289 204 HA ILE 25 HA ILE 25 -3.738 6.471 2.957 205 HB ILE 25 HB ILE 25 -5.833 7.875 1.295 206 HG12 ILE 25 HG12 ILE 25 -4.481 5.185 0.965 207 HG13 ILE 25 HG11 ILE 25 -6.140 5.439 1.497 208 HG21 ILE 25 HG21 ILE 25 -4.179 7.866 -0.509 209 HG22 ILE 25 HG22 ILE 25 -2.978 7.192 0.593 210 HG23 ILE 25 HG23 ILE 25 -3.617 8.812 0.870 211 HD11 ILE 25 HD11 ILE 25 -6.052 4.783 -0.834 212 HD12 ILE 25 HD12 ILE 25 -5.021 6.167 -1.199 213 HD13 ILE 25 HD13 ILE 25 -6.684 6.421 -0.667 214 H GLY 26 HN GLY 26 -5.928 9.088 3.805 215 HA2 GLY 26 HA2 GLY 26 -4.059 11.195 3.613 216 HA3 GLY 26 HA1 GLY 26 -5.505 11.191 4.614 217 H LYS 27 HN LYS 27 -4.680 8.801 6.130 218 HA LYS 27 HA LYS 27 -3.145 10.256 8.079 219 HB2 LYS 27 HB2 LYS 27 -4.700 7.761 8.044 220 HB3 LYS 27 HB1 LYS 27 -3.342 7.789 9.153 221 HG2 LYS 27 HG2 LYS 27 -5.354 8.457 10.299 222 HG3 LYS 27 HG1 LYS 27 -4.260 9.832 10.176 223 HD2 LYS 27 HD2 LYS 27 -5.548 10.619 8.210 224 HD3 LYS 27 HD1 LYS 27 -6.682 9.292 8.462 225 HE2 LYS 27 HE2 LYS 27 -7.590 11.294 9.435 226 HE3 LYS 27 HE1 LYS 27 -7.144 10.182 10.728 227 HZ1 LYS 27 HZ1 LYS 27 -5.146 11.437 11.111 228 HZ2 LYS 27 HZ2 LYS 27 -6.472 12.483 11.172 229 HZ3 LYS 27 HZ3 LYS 27 -5.479 12.458 9.806 230 H LEU 28 HN LEU 28 -2.826 7.676 5.802 231 HA LEU 28 HA LEU 28 -0.197 6.924 6.507 232 HB2 LEU 28 HB2 LEU 28 -1.448 6.753 3.795 233 HB3 LEU 28 HB1 LEU 28 -0.148 5.754 4.442 234 HG LEU 28 HG LEU 28 -2.918 5.887 5.576 235 HD11 LEU 28 HD11 LEU 28 -1.670 3.737 3.834 236 HD12 LEU 28 HD12 LEU 28 -2.891 4.886 3.300 237 HD13 LEU 28 HD13 LEU 28 -3.285 3.696 4.538 238 HD21 LEU 28 HD21 LEU 28 -1.342 5.255 7.239 239 HD22 LEU 28 HD22 LEU 28 -0.546 4.122 6.150 240 HD23 LEU 28 HD23 LEU 28 -2.178 3.790 6.727 241 H GLU 29 HN GLU 29 -1.530 9.123 4.122 242 HA GLU 29 HA GLU 29 0.735 10.126 2.907 243 HB2 GLU 29 HB2 GLU 29 -1.554 10.651 2.208 244 HB3 GLU 29 HB1 GLU 29 -1.810 11.567 3.683 245 HG2 GLU 29 HG2 GLU 29 0.095 13.053 2.906 246 HG3 GLU 29 HG1 GLU 29 -0.075 12.257 1.342 247 H ARG 30 HN ARG 30 -0.824 11.137 5.930 248 HA ARG 30 HA ARG 30 1.030 13.218 6.386 249 HB2 ARG 30 HB2 ARG 30 -0.896 11.932 8.176 250 HB3 ARG 30 HB1 ARG 30 0.073 13.290 8.673 251 HG2 ARG 30 HG2 ARG 30 -1.918 13.256 6.423 252 HG3 ARG 30 HG1 ARG 30 -2.182 13.968 8.015 253 HD2 ARG 30 HD2 ARG 30 -1.497 15.860 7.007 254 HD3 ARG 30 HD1 ARG 30 0.114 15.197 7.266 255 HE ARG 30 HE ARG 30 -1.303 14.625 4.757 256 HH11 ARG 30 HH11 ARG 30 1.376 16.141 6.437 257 HH12 ARG 30 HH12 ARG 30 2.242 16.499 4.980 258 HH21 ARG 30 HH21 ARG 30 -0.194 15.126 2.851 259 HH22 ARG 30 HH22 ARG 30 1.348 15.935 2.934 260 H TYR 31 HN TYR 31 1.348 9.891 6.804 261 HA TYR 31 HA TYR 31 3.347 10.082 8.882 262 HB2 TYR 31 HB2 TYR 31 2.571 7.839 7.011 263 HB3 TYR 31 HB1 TYR 31 3.916 7.714 8.135 264 HD1 TYR 31 HD1 TYR 31 1.026 6.295 7.795 265 HD2 TYR 31 HD2 TYR 31 2.784 9.029 10.536 266 HE1 TYR 31 HE1 TYR 31 -0.510 5.514 9.545 267 HE2 TYR 31 HE2 TYR 31 1.255 8.255 12.296 268 HH TYR 31 HH TYR 31 -0.628 5.429 11.978 269 H PHE 32 HN PHE 32 3.217 10.841 5.606 270 HA PHE 32 HA PHE 32 6.034 10.155 5.182 271 HB2 PHE 32 HB2 PHE 32 4.079 11.089 3.114 272 HB3 PHE 32 HB1 PHE 32 5.604 10.291 2.886 273 HD1 PHE 32 HD1 PHE 32 2.728 9.590 1.846 274 HD2 PHE 32 HD2 PHE 32 5.229 8.063 4.933 275 HE1 PHE 32 HE1 PHE 32 1.626 7.402 1.654 276 HE2 PHE 32 HE2 PHE 32 4.131 5.871 4.743 277 HZ PHE 32 HZ PHE 32 2.328 5.537 3.101 278 H ASN 33 HN ASN 33 7.461 11.763 4.498 279 HA ASN 33 HA ASN 33 6.142 14.263 3.792 280 HB2 ASN 33 HB2 ASN 33 8.040 15.566 4.533 281 HB3 ASN 33 HB1 ASN 33 7.574 14.500 5.853 282 HD21 ASN 33 HD21 ASN 33 8.937 12.813 6.446 283 HD22 ASN 33 HD22 ASN 33 10.578 12.724 5.903 284 H ASP 34 HN ASP 34 8.366 11.795 2.914 285 HA ASP 34 HA ASP 34 9.356 13.257 0.717 286 HB2 ASP 34 HB2 ASP 34 11.009 11.479 0.454 287 HB3 ASP 34 HB1 ASP 34 10.984 12.079 2.109 288 H VAL 35 HN VAL 35 6.642 12.238 0.797 289 HA VAL 35 HA VAL 35 6.746 10.646 -1.654 290 HB VAL 35 HB VAL 35 4.699 10.361 0.464 291 HG11 VAL 35 HG11 VAL 35 4.999 8.911 -2.145 292 HG12 VAL 35 HG12 VAL 35 3.731 10.065 -1.737 293 HG13 VAL 35 HG13 VAL 35 3.820 8.520 -0.894 294 HG21 VAL 35 HG21 VAL 35 6.849 8.472 -0.424 295 HG22 VAL 35 HG22 VAL 35 5.568 8.079 0.719 296 HG23 VAL 35 HG23 VAL 35 6.769 9.305 1.128 297 HA PRO 36 HA PRO 36 4.259 14.328 -2.702 298 HB2 PRO 36 HB2 PRO 36 5.477 14.888 -5.031 299 HB3 PRO 36 HB1 PRO 36 6.146 15.415 -3.483 300 HG2 PRO 36 HG2 PRO 36 6.949 13.115 -5.211 301 HG3 PRO 36 HG1 PRO 36 7.968 14.236 -4.290 302 HD2 PRO 36 HD2 PRO 36 7.285 11.698 -3.454 303 HD3 PRO 36 HD1 PRO 36 7.773 13.014 -2.372 304 H ASN 37 HN ASN 37 4.994 11.291 -4.094 305 HA ASN 37 HA ASN 37 2.521 11.351 -5.638 306 HB2 ASN 37 HB2 ASN 37 4.285 11.956 -7.239 307 HB3 ASN 37 HB1 ASN 37 5.175 10.498 -6.813 308 HD21 ASN 37 HD21 ASN 37 2.415 11.795 -8.462 309 HD22 ASN 37 HD22 ASN 37 2.013 10.360 -9.342 310 H ALA 38 HN ALA 38 1.371 9.693 -5.038 311 HA ALA 38 HA ALA 38 2.454 7.018 -5.061 312 HB1 ALA 38 HB1 ALA 38 1.751 6.416 -2.819 313 HB2 ALA 38 HB2 ALA 38 1.175 8.053 -2.523 314 HB3 ALA 38 HB3 ALA 38 2.900 7.753 -2.726 315 H VAL 39 HN VAL 39 0.728 5.452 -5.275 316 HA VAL 39 HA VAL 39 -1.920 6.607 -5.707 317 HB VAL 39 HB VAL 39 -0.138 4.974 -7.445 318 HG11 VAL 39 HG11 VAL 39 -1.871 3.849 -8.562 319 HG12 VAL 39 HG12 VAL 39 -3.112 4.709 -7.648 320 HG13 VAL 39 HG13 VAL 39 -2.065 3.538 -6.830 321 HG21 VAL 39 HG21 VAL 39 -1.127 6.265 -9.206 322 HG22 VAL 39 HG22 VAL 39 -0.617 7.336 -7.903 323 HG23 VAL 39 HG23 VAL 39 -2.324 6.931 -8.093 324 H ALA 40 HN ALA 40 -3.651 5.162 -5.198 325 HA ALA 40 HA ALA 40 -2.873 2.470 -4.223 326 HB1 ALA 40 HB1 ALA 40 -4.833 2.577 -2.680 327 HB2 ALA 40 HB2 ALA 40 -5.022 4.283 -3.096 328 HB3 ALA 40 HB3 ALA 40 -3.560 3.732 -2.276 329 H HIS 41 HN HIS 41 -3.240 1.650 -6.252 330 HA HIS 41 HA HIS 41 -5.861 1.901 -7.473 331 HB2 HIS 41 HB2 HIS 41 -3.524 1.661 -8.650 332 HB3 HIS 41 HB1 HIS 41 -3.736 -0.052 -8.321 333 HD1 HIS 41 HD1 HIS 41 -4.535 2.533 -10.723 334 HD2 HIS 41 HD2 HIS 41 -6.167 -1.128 -9.589 335 HE1 HIS 41 HE1 HIS 41 -6.033 1.834 -12.622 336 HE2 HIS 41 HE2 HIS 41 -6.924 -0.428 -11.963 337 H VAL 42 HN VAL 42 -7.386 0.885 -6.167 338 HA VAL 42 HA VAL 42 -6.624 -1.777 -5.082 339 HB VAL 42 HB VAL 42 -7.776 0.702 -3.906 340 HG11 VAL 42 HG11 VAL 42 -8.915 -0.537 -2.155 341 HG12 VAL 42 HG12 VAL 42 -8.553 -2.048 -2.993 342 HG13 VAL 42 HG13 VAL 42 -9.618 -0.855 -3.741 343 HG21 VAL 42 HG21 VAL 42 -6.113 -1.584 -2.911 344 HG22 VAL 42 HG22 VAL 42 -6.504 -0.144 -1.962 345 HG23 VAL 42 HG23 VAL 42 -5.501 0.003 -3.419 346 H LYS 43 HN LYS 43 -8.365 -3.205 -4.917 347 HA LYS 43 HA LYS 43 -10.820 -2.529 -6.345 348 HB2 LYS 43 HB2 LYS 43 -9.153 -3.124 -8.113 349 HB3 LYS 43 HB1 LYS 43 -8.975 -4.705 -7.371 350 HG2 LYS 43 HG2 LYS 43 -11.169 -5.337 -7.958 351 HG3 LYS 43 HG1 LYS 43 -11.612 -3.682 -8.378 352 HD2 LYS 43 HD2 LYS 43 -11.233 -5.044 -10.381 353 HD3 LYS 43 HD1 LYS 43 -10.060 -3.732 -10.262 354 HE2 LYS 43 HE2 LYS 43 -8.917 -5.733 -10.939 355 HE3 LYS 43 HE1 LYS 43 -8.437 -5.337 -9.290 356 HZ1 LYS 43 HZ1 LYS 43 -10.324 -7.446 -10.161 357 HZ2 LYS 43 HZ2 LYS 43 -10.156 -6.967 -8.551 358 HZ3 LYS 43 HZ3 LYS 43 -8.844 -7.650 -9.366 359 H VAL 44 HN VAL 44 -12.324 -3.264 -5.221 360 HA VAL 44 HA VAL 44 -11.905 -5.667 -3.565 361 HB VAL 44 HB VAL 44 -11.969 -3.360 -2.380 362 HG11 VAL 44 HG11 VAL 44 -13.744 -2.415 -3.674 363 HG12 VAL 44 HG12 VAL 44 -14.227 -2.502 -1.973 364 HG13 VAL 44 HG13 VAL 44 -14.842 -3.690 -3.133 365 HG21 VAL 44 HG21 VAL 44 -13.980 -5.459 -1.581 366 HG22 VAL 44 HG22 VAL 44 -13.281 -4.234 -0.518 367 HG23 VAL 44 HG23 VAL 44 -12.260 -5.498 -1.207 368 H LYS 45 HN LYS 45 -13.875 -6.745 -3.046 369 HA LYS 45 HA LYS 45 -16.262 -6.274 -4.604 370 HB2 LYS 45 HB2 LYS 45 -14.483 -8.673 -5.003 371 HB3 LYS 45 HB1 LYS 45 -16.206 -8.742 -5.349 372 HG2 LYS 45 HG2 LYS 45 -15.897 -6.870 -6.948 373 HG3 LYS 45 HG1 LYS 45 -14.155 -6.974 -6.659 374 HD2 LYS 45 HD2 LYS 45 -14.143 -9.268 -7.464 375 HD3 LYS 45 HD1 LYS 45 -15.893 -9.224 -7.682 376 HE2 LYS 45 HE2 LYS 45 -14.766 -8.912 -9.808 377 HE3 LYS 45 HE1 LYS 45 -15.627 -7.446 -9.347 378 HZ1 LYS 45 HZ1 LYS 45 -12.719 -7.911 -9.004 379 HZ2 LYS 45 HZ2 LYS 45 -13.551 -6.497 -8.589 380 HZ3 LYS 45 HZ3 LYS 45 -13.428 -6.960 -10.211 381 H THR 46 HN THR 46 -18.018 -6.944 -3.461 382 HA THR 46 HA THR 46 -17.724 -9.155 -1.603 383 HB THR 46 HB THR 46 -17.218 -7.390 -0.092 384 HG1 THR 46 HG1 THR 46 -18.681 -7.904 1.393 385 HG21 THR 46 HG21 THR 46 -19.670 -5.973 -1.126 386 HG22 THR 46 HG22 THR 46 -17.992 -5.468 -1.326 387 HG23 THR 46 HG23 THR 46 -18.728 -5.468 0.276 388 H TYR 47 HN TYR 47 -19.165 -10.443 -2.531 389 HA TYR 47 HA TYR 47 -21.928 -9.427 -2.670 390 HB2 TYR 47 HB2 TYR 47 -20.747 -11.751 -4.223 391 HB3 TYR 47 HB1 TYR 47 -22.379 -11.106 -4.380 392 HD1 TYR 47 HD1 TYR 47 -18.956 -10.825 -5.459 393 HD2 TYR 47 HD2 TYR 47 -22.666 -8.760 -5.258 394 HE1 TYR 47 HE1 TYR 47 -18.163 -9.247 -7.173 395 HE2 TYR 47 HE2 TYR 47 -21.889 -7.180 -6.970 396 HH TYR 47 HH TYR 47 -19.843 -6.337 -7.895 397 H SER 48 HN SER 48 -21.591 -9.842 -0.352 398 HA SER 48 HA SER 48 -22.694 -12.305 0.522 399 HB2 SER 48 HB2 SER 48 -19.772 -11.772 1.137 400 HB3 SER 48 HB1 SER 48 -20.753 -12.995 1.937 401 HG SER 48 HG SER 48 -20.945 -13.243 -0.741 402 H ASN 49 HN ASN 49 -22.158 -12.228 3.194 403 HA ASN 49 HA ASN 49 -23.769 -10.008 3.890 404 HB2 ASN 49 HB2 ASN 49 -22.315 -11.996 5.637 405 HB3 ASN 49 HB1 ASN 49 -23.460 -10.802 6.239 406 HD21 ASN 49 HD21 ASN 49 -25.652 -10.988 5.651 407 HD22 ASN 49 HD22 ASN 49 -26.310 -12.499 5.129 408 H SER 50 HN SER 50 -20.445 -10.785 5.030 409 HA SER 50 HA SER 50 -20.056 -7.916 5.332 410 HB2 SER 50 HB2 SER 50 -20.708 -8.838 7.523 411 HB3 SER 50 HB1 SER 50 -19.335 -9.936 7.453 412 HG SER 50 HG SER 50 -17.957 -8.137 7.487 413 H ALA 51 HN ALA 51 -19.062 -10.246 3.661 414 HA ALA 51 HA ALA 51 -16.256 -10.505 4.079 415 HB1 ALA 51 HB1 ALA 51 -18.150 -11.444 2.147 416 HB2 ALA 51 HB2 ALA 51 -16.541 -12.067 2.521 417 HB3 ALA 51 HB3 ALA 51 -16.732 -10.760 1.328 418 H THR 52 HN THR 52 -14.534 -9.582 2.736 419 HA THR 52 HA THR 52 -15.375 -7.997 0.668 420 HB THR 52 HB THR 52 -13.251 -6.523 1.862 421 HG1 THR 52 HG1 THR 52 -15.211 -7.500 3.420 422 HG21 THR 52 HG21 THR 52 -14.818 -5.641 0.157 423 HG22 THR 52 HG22 THR 52 -14.812 -4.648 1.611 424 HG23 THR 52 HG23 THR 52 -16.133 -5.778 1.320 425 H LYS 53 HN LYS 53 -14.260 -8.695 -1.079 426 HA LYS 53 HA LYS 53 -11.608 -9.862 -0.690 427 HB2 LYS 53 HB2 LYS 53 -13.320 -9.791 -3.179 428 HB3 LYS 53 HB1 LYS 53 -11.940 -10.820 -2.871 429 HG2 LYS 53 HG2 LYS 53 -13.149 -12.069 -1.223 430 HG3 LYS 53 HG1 LYS 53 -14.512 -10.952 -1.330 431 HD2 LYS 53 HD2 LYS 53 -14.735 -11.588 -3.737 432 HD3 LYS 53 HD1 LYS 53 -13.513 -12.830 -3.466 433 HE2 LYS 53 HE2 LYS 53 -16.128 -12.619 -1.981 434 HE3 LYS 53 HE1 LYS 53 -15.832 -13.690 -3.348 435 HZ1 LYS 53 HZ1 LYS 53 -15.607 -14.844 -1.246 436 HZ2 LYS 53 HZ2 LYS 53 -14.402 -13.771 -0.749 437 HZ3 LYS 53 HZ3 LYS 53 -14.123 -14.806 -2.056 438 H ILE 54 HN ILE 54 -9.815 -8.827 -1.308 439 HA ILE 54 HA ILE 54 -10.214 -6.260 -2.675 440 HB ILE 54 HB ILE 54 -8.113 -5.579 -1.340 441 HG12 ILE 54 HG12 ILE 54 -8.021 -8.056 -0.416 442 HG13 ILE 54 HG11 ILE 54 -7.536 -6.690 0.576 443 HG21 ILE 54 HG21 ILE 54 -9.558 -4.732 0.400 444 HG22 ILE 54 HG22 ILE 54 -10.804 -5.891 -0.097 445 HG23 ILE 54 HG23 ILE 54 -10.272 -4.613 -1.217 446 HD11 ILE 54 HD11 ILE 54 -10.254 -7.979 0.659 447 HD12 ILE 54 HD12 ILE 54 -9.631 -6.734 1.742 448 HD13 ILE 54 HD13 ILE 54 -8.929 -8.349 1.761 449 H GLU 55 HN GLU 55 -8.499 -5.355 -3.764 450 HA GLU 55 HA GLU 55 -6.081 -6.914 -4.165 451 HB2 GLU 55 HB2 GLU 55 -8.049 -6.136 -6.273 452 HB3 GLU 55 HB1 GLU 55 -6.336 -6.103 -6.618 453 HG2 GLU 55 HG2 GLU 55 -6.150 -8.459 -6.125 454 HG3 GLU 55 HG1 GLU 55 -7.847 -8.509 -5.654 455 H VAL 56 HN VAL 56 -4.679 -5.470 -3.469 456 HA VAL 56 HA VAL 56 -5.138 -2.623 -4.060 457 HB VAL 56 HB VAL 56 -4.550 -2.355 -1.853 458 HG11 VAL 56 HG11 VAL 56 -3.610 -4.166 -0.543 459 HG12 VAL 56 HG12 VAL 56 -3.475 -5.105 -2.028 460 HG13 VAL 56 HG13 VAL 56 -5.058 -4.612 -1.440 461 HG21 VAL 56 HG21 VAL 56 -1.782 -3.344 -2.650 462 HG22 VAL 56 HG22 VAL 56 -2.161 -2.249 -1.331 463 HG23 VAL 56 HG23 VAL 56 -2.368 -1.723 -2.995 464 H THR 57 HN THR 57 -3.722 -1.549 -5.139 465 HA THR 57 HA THR 57 -1.008 -2.551 -5.306 466 HB THR 57 HB THR 57 -2.411 -1.678 -7.864 467 HG1 THR 57 HG1 THR 57 -2.567 -4.030 -6.661 468 HG21 THR 57 HG21 THR 57 0.001 -1.231 -7.766 469 HG22 THR 57 HG22 THR 57 -0.390 -2.456 -8.971 470 HG23 THR 57 HG23 THR 57 0.292 -2.934 -7.418 471 H ILE 58 HN ILE 58 -0.055 -0.961 -4.455 472 HA ILE 58 HA ILE 58 -1.028 1.818 -4.752 473 HB ILE 58 HB ILE 58 0.165 0.189 -2.508 474 HG12 ILE 58 HG12 ILE 58 -2.305 1.923 -2.582 475 HG13 ILE 58 HG11 ILE 58 -2.294 0.190 -2.878 476 HG21 ILE 58 HG21 ILE 58 0.227 2.241 -1.114 477 HG22 ILE 58 HG22 ILE 58 -0.141 3.203 -2.545 478 HG23 ILE 58 HG23 ILE 58 1.375 2.304 -2.451 479 HD11 ILE 58 HD11 ILE 58 -2.999 0.701 -0.616 480 HD12 ILE 58 HD12 ILE 58 -1.488 1.563 -0.325 481 HD13 ILE 58 HD13 ILE 58 -1.470 -0.178 -0.608 482 HA PRO 59 HA PRO 59 3.302 1.904 -6.530 483 HB2 PRO 59 HB2 PRO 59 1.987 3.961 -8.220 484 HB3 PRO 59 HB1 PRO 59 2.968 2.561 -8.699 485 HG2 PRO 59 HG2 PRO 59 0.343 2.586 -9.108 486 HG3 PRO 59 HG1 PRO 59 1.158 1.103 -8.568 487 HD2 PRO 59 HD2 PRO 59 -0.351 3.118 -6.933 488 HD3 PRO 59 HD1 PRO 59 -0.504 1.350 -6.931 489 H LEU 60 HN LEU 60 4.279 2.989 -4.794 490 HA LEU 60 HA LEU 60 4.022 5.881 -4.681 491 HB2 LEU 60 HB2 LEU 60 5.659 3.815 -3.244 492 HB3 LEU 60 HB1 LEU 60 6.152 5.486 -3.212 493 HG LEU 60 HG LEU 60 3.873 6.031 -2.254 494 HD11 LEU 60 HD11 LEU 60 2.727 3.995 -2.931 495 HD12 LEU 60 HD12 LEU 60 2.664 4.207 -1.181 496 HD13 LEU 60 HD13 LEU 60 3.784 3.043 -1.888 497 HD21 LEU 60 HD21 LEU 60 5.704 4.235 -0.672 498 HD22 LEU 60 HD22 LEU 60 4.500 5.329 0.006 499 HD23 LEU 60 HD23 LEU 60 5.879 5.977 -0.883 500 H LYS 61 HN LYS 61 6.394 7.009 -4.795 501 HA LYS 61 HA LYS 61 7.576 6.644 -7.317 502 HB2 LYS 61 HB2 LYS 61 9.093 7.371 -4.830 503 HB3 LYS 61 HB1 LYS 61 9.452 7.854 -6.484 504 HG2 LYS 61 HG2 LYS 61 7.509 9.310 -6.531 505 HG3 LYS 61 HG1 LYS 61 7.080 8.814 -4.893 506 HD2 LYS 61 HD2 LYS 61 8.267 11.009 -5.025 507 HD3 LYS 61 HD1 LYS 61 9.058 9.816 -3.995 508 HE2 LYS 61 HE2 LYS 61 10.700 10.983 -5.344 509 HE3 LYS 61 HE1 LYS 61 10.613 9.292 -5.824 510 HZ1 LYS 61 HZ1 LYS 61 10.718 10.707 -7.753 511 HZ2 LYS 61 HZ2 LYS 61 9.363 11.580 -7.245 512 HZ3 LYS 61 HZ3 LYS 61 9.202 9.960 -7.695 513 H ASN 62 HN ASN 62 8.364 5.549 -4.113 514 HA ASN 62 HA ASN 62 10.776 4.414 -4.772 515 HB2 ASN 62 HB2 ASN 62 9.108 3.947 -2.420 516 HB3 ASN 62 HB1 ASN 62 10.782 3.482 -2.537 517 HD21 ASN 62 HD21 ASN 62 12.216 5.324 -3.230 518 HD22 ASN 62 HD22 ASN 62 11.968 6.833 -2.412 519 H VAL 63 HN VAL 63 7.845 2.811 -3.637 520 HA VAL 63 HA VAL 63 8.406 0.507 -5.344 521 HB VAL 63 HB VAL 63 9.341 0.110 -3.089 522 HG11 VAL 63 HG11 VAL 63 7.828 -0.240 -1.185 523 HG12 VAL 63 HG12 VAL 63 6.491 0.361 -2.168 524 HG13 VAL 63 HG13 VAL 63 7.832 1.430 -1.757 525 HG21 VAL 63 HG21 VAL 63 8.300 -2.084 -2.702 526 HG22 VAL 63 HG22 VAL 63 8.643 -1.793 -4.407 527 HG23 VAL 63 HG23 VAL 63 6.994 -1.637 -3.799 528 H THR 64 HN THR 64 6.561 -0.841 -5.700 529 HA THR 64 HA THR 64 3.964 0.495 -5.254 530 HB THR 64 HB THR 64 4.820 -1.365 -7.488 531 HG1 THR 64 HG1 THR 64 5.586 0.826 -7.640 532 HG21 THR 64 HG21 THR 64 2.619 -0.895 -8.469 533 HG22 THR 64 HG22 THR 64 2.176 0.016 -7.027 534 HG23 THR 64 HG23 THR 64 2.478 -1.716 -6.915 535 H LEU 65 HN LEU 65 2.776 -0.598 -3.701 536 HA LEU 65 HA LEU 65 3.354 -3.452 -3.359 537 HB2 LEU 65 HB2 LEU 65 1.930 -1.518 -1.545 538 HB3 LEU 65 HB1 LEU 65 1.826 -3.247 -1.341 539 HG LEU 65 HG LEU 65 4.461 -3.128 -1.457 540 HD11 LEU 65 HD11 LEU 65 4.674 -0.722 -1.738 541 HD12 LEU 65 HD12 LEU 65 5.359 -1.210 -0.179 542 HD13 LEU 65 HD13 LEU 65 3.764 -0.445 -0.255 543 HD21 LEU 65 HD21 LEU 65 2.757 -2.608 0.960 544 HD22 LEU 65 HD22 LEU 65 4.451 -3.101 1.018 545 HD23 LEU 65 HD23 LEU 65 3.246 -4.167 0.298 546 H ARG 66 HN ARG 66 2.114 -4.975 -3.798 547 HA ARG 66 HA ARG 66 -0.689 -4.338 -4.378 548 HB2 ARG 66 HB2 ARG 66 0.332 -4.896 -6.359 549 HB3 ARG 66 HB1 ARG 66 1.196 -6.263 -5.702 550 HG2 ARG 66 HG2 ARG 66 -0.672 -7.610 -5.679 551 HG3 ARG 66 HG1 ARG 66 -1.785 -6.244 -5.648 552 HD2 ARG 66 HD2 ARG 66 -1.345 -5.768 -7.951 553 HD3 ARG 66 HD1 ARG 66 -0.087 -7.005 -8.015 554 HE ARG 66 HE ARG 66 -1.760 -8.681 -7.861 555 HH11 ARG 66 HH11 ARG 66 -3.073 -5.442 -8.215 556 HH12 ARG 66 HH12 ARG 66 -4.652 -6.002 -8.666 557 HH21 ARG 66 HH21 ARG 66 -3.839 -9.408 -8.408 558 HH22 ARG 66 HH22 ARG 66 -5.109 -8.258 -8.725 559 H ALA 67 HN ALA 67 -2.168 -5.519 -3.418 560 HA ALA 67 HA ALA 67 -1.439 -8.154 -2.313 561 HB1 ALA 67 HB1 ALA 67 -2.867 -7.683 -0.255 562 HB2 ALA 67 HB2 ALA 67 -2.674 -5.972 -0.646 563 HB3 ALA 67 HB3 ALA 67 -1.265 -6.966 -0.306 564 H GLU 68 HN GLU 68 -2.700 -9.537 -3.249 565 HA GLU 68 HA GLU 68 -5.463 -8.762 -3.857 566 HB2 GLU 68 HB2 GLU 68 -5.344 -10.817 -5.401 567 HB3 GLU 68 HB1 GLU 68 -4.478 -9.370 -5.888 568 HG2 GLU 68 HG2 GLU 68 -2.398 -10.354 -5.011 569 HG3 GLU 68 HG1 GLU 68 -3.288 -11.829 -4.631 570 H GLU 69 HN GLU 69 -6.577 -9.241 -2.088 571 HA GLU 69 HA GLU 69 -6.282 -11.934 -0.927 572 HB2 GLU 69 HB2 GLU 69 -6.653 -9.307 0.523 573 HB3 GLU 69 HB1 GLU 69 -6.729 -10.887 1.288 574 HG2 GLU 69 HG2 GLU 69 -4.322 -9.780 -0.134 575 HG3 GLU 69 HG1 GLU 69 -4.577 -9.748 1.611 576 H ARG 70 HN ARG 70 -8.142 -12.917 -1.580 577 HA ARG 70 HA ARG 70 -10.684 -11.525 -1.322 578 HB2 ARG 70 HB2 ARG 70 -10.021 -14.382 -2.083 579 HB3 ARG 70 HB1 ARG 70 -11.641 -13.701 -2.084 580 HG2 ARG 70 HG2 ARG 70 -11.124 -12.229 -3.860 581 HG3 ARG 70 HG1 ARG 70 -9.399 -12.558 -3.719 582 HD2 ARG 70 HD2 ARG 70 -11.484 -14.578 -4.519 583 HD3 ARG 70 HD1 ARG 70 -10.455 -13.692 -5.644 584 HE ARG 70 HE ARG 70 -8.955 -15.085 -3.643 585 HH11 ARG 70 HH11 ARG 70 -10.595 -15.449 -6.715 586 HH12 ARG 70 HH12 ARG 70 -9.647 -16.816 -7.199 587 HH21 ARG 70 HH21 ARG 70 -7.706 -16.877 -4.273 588 HH22 ARG 70 HH22 ARG 70 -8.001 -17.630 -5.808 589 H ASN 71 HN ASN 71 -10.341 -11.105 0.966 590 HA ASN 71 HA ASN 71 -10.540 -13.495 2.676 591 HB2 ASN 71 HB2 ASN 71 -9.240 -10.829 3.280 592 HB3 ASN 71 HB1 ASN 71 -9.373 -12.141 4.418 593 HD21 ASN 71 HD21 ASN 71 -7.147 -10.970 3.865 594 HD22 ASN 71 HD22 ASN 71 -6.153 -12.072 3.056 595 H ASP 72 HN ASP 72 -11.034 -12.124 5.077 596 HA ASP 72 HA ASP 72 -13.889 -11.841 4.817 597 HB2 ASP 72 HB2 ASP 72 -12.820 -13.102 6.672 598 HB3 ASP 72 HB1 ASP 72 -12.126 -11.599 7.266 599 H ASP 73 HN ASP 73 -11.370 -9.815 6.315 600 HA ASP 73 HA ASP 73 -13.077 -7.419 5.930 601 HB2 ASP 73 HB2 ASP 73 -10.855 -8.105 7.830 602 HB3 ASP 73 HB1 ASP 73 -11.168 -6.423 7.425 603 H LEU 74 HN LEU 74 -12.864 -6.554 4.242 604 HA LEU 74 HA LEU 74 -11.072 -5.813 2.501 605 HB2 LEU 74 HB2 LEU 74 -13.191 -4.733 2.722 606 HB3 LEU 74 HB1 LEU 74 -12.763 -4.276 4.369 607 HG LEU 74 HG LEU 74 -11.309 -2.530 3.584 608 HD11 LEU 74 HD11 LEU 74 -10.281 -3.381 1.677 609 HD12 LEU 74 HD12 LEU 74 -11.257 -2.027 1.097 610 HD13 LEU 74 HD13 LEU 74 -11.821 -3.685 0.873 611 HD21 LEU 74 HD21 LEU 74 -12.916 -1.076 2.457 612 HD22 LEU 74 HD22 LEU 74 -13.671 -1.985 3.765 613 HD23 LEU 74 HD23 LEU 74 -13.925 -2.475 2.090 614 H TYR 75 HN TYR 75 -11.230 -4.445 5.732 615 HA TYR 75 HA TYR 75 -9.043 -2.828 5.033 616 HB2 TYR 75 HB2 TYR 75 -11.063 -2.571 7.009 617 HB3 TYR 75 HB1 TYR 75 -9.462 -2.368 7.753 618 HD1 TYR 75 HD1 TYR 75 -12.028 -0.978 5.989 619 HD2 TYR 75 HD2 TYR 75 -7.852 -1.006 6.436 620 HE1 TYR 75 HE1 TYR 75 -11.915 1.129 4.924 621 HE2 TYR 75 HE2 TYR 75 -7.708 1.116 5.374 622 HH TYR 75 HH TYR 75 -9.021 2.493 3.744 623 H ALA 76 HN ALA 76 -9.448 -5.852 6.235 624 HA ALA 76 HA ALA 76 -6.956 -6.070 7.675 625 HB1 ALA 76 HB1 ALA 76 -7.454 -8.422 7.735 626 HB2 ALA 76 HB2 ALA 76 -8.700 -8.218 6.499 627 HB3 ALA 76 HB3 ALA 76 -8.934 -7.533 8.112 628 H GLY 77 HN GLY 77 -8.327 -6.513 4.464 629 HA2 GLY 77 HA2 GLY 77 -6.015 -7.776 3.342 630 HA3 GLY 77 HA1 GLY 77 -7.343 -6.986 2.492 631 H ILE 78 HN ILE 78 -7.290 -4.489 3.194 632 HA ILE 78 HA ILE 78 -5.088 -3.390 1.948 633 HB ILE 78 HB ILE 78 -7.395 -2.178 3.468 634 HG12 ILE 78 HG12 ILE 78 -6.607 -2.228 0.549 635 HG13 ILE 78 HG11 ILE 78 -7.895 -3.165 1.299 636 HG21 ILE 78 HG21 ILE 78 -5.198 -0.668 2.050 637 HG22 ILE 78 HG22 ILE 78 -5.498 -0.676 3.788 638 HG23 ILE 78 HG23 ILE 78 -6.685 0.033 2.691 639 HD11 ILE 78 HD11 ILE 78 -7.809 -0.167 1.044 640 HD12 ILE 78 HD12 ILE 78 -9.097 -1.100 1.807 641 HD13 ILE 78 HD13 ILE 78 -8.787 -1.273 0.079 642 H ASP 79 HN ASP 79 -5.837 -3.843 5.447 643 HA ASP 79 HA ASP 79 -3.419 -2.424 6.311 644 HB2 ASP 79 HB2 ASP 79 -5.657 -3.637 7.641 645 HB3 ASP 79 HB1 ASP 79 -4.133 -4.207 8.308 646 H LEU 80 HN LEU 80 -4.168 -5.681 5.346 647 HA LEU 80 HA LEU 80 -1.668 -6.710 6.073 648 HB2 LEU 80 HB2 LEU 80 -3.551 -8.016 5.011 649 HB3 LEU 80 HB1 LEU 80 -3.141 -7.256 3.491 650 HG LEU 80 HG LEU 80 -0.886 -8.282 3.615 651 HD11 LEU 80 HD11 LEU 80 -0.714 -8.556 6.020 652 HD12 LEU 80 HD12 LEU 80 -0.511 -10.104 5.205 653 HD13 LEU 80 HD13 LEU 80 -2.037 -9.722 5.999 654 HD21 LEU 80 HD21 LEU 80 -1.643 -10.576 3.118 655 HD22 LEU 80 HD22 LEU 80 -2.596 -9.339 2.300 656 HD23 LEU 80 HD23 LEU 80 -3.243 -10.151 3.727 657 H ILE 81 HN ILE 81 -2.734 -5.256 3.004 658 HA ILE 81 HA ILE 81 -0.109 -4.907 2.062 659 HB ILE 81 HB ILE 81 -2.440 -4.749 0.835 660 HG12 ILE 81 HG12 ILE 81 -1.200 -4.172 -1.066 661 HG13 ILE 81 HG11 ILE 81 -0.252 -2.969 -0.206 662 HG21 ILE 81 HG21 ILE 81 -1.711 -1.843 1.120 663 HG22 ILE 81 HG22 ILE 81 -3.017 -2.622 2.006 664 HG23 ILE 81 HG23 ILE 81 -3.084 -2.526 0.250 665 HD11 ILE 81 HD11 ILE 81 1.180 -4.579 0.686 666 HD12 ILE 81 HD12 ILE 81 0.915 -5.102 -0.977 667 HD13 ILE 81 HD13 ILE 81 0.064 -5.896 0.345 668 H ASN 82 HN ASN 82 -2.002 -2.794 4.111 669 HA ASN 82 HA ASN 82 -0.508 -0.403 3.570 670 HB2 ASN 82 HB2 ASN 82 -2.891 -0.539 4.445 671 HB3 ASN 82 HB1 ASN 82 -2.217 -1.036 5.985 672 HD21 ASN 82 HD21 ASN 82 0.089 0.881 5.597 673 HD22 ASN 82 HD22 ASN 82 -0.599 2.421 5.975 674 H ASN 83 HN ASN 83 -0.555 -2.888 5.996 675 HA ASN 83 HA ASN 83 1.374 -1.555 7.661 676 HB2 ASN 83 HB2 ASN 83 0.360 -2.872 9.169 677 HB3 ASN 83 HB1 ASN 83 -0.680 -3.466 7.837 678 HD21 ASN 83 HD21 ASN 83 2.104 -4.103 9.868 679 HD22 ASN 83 HD22 ASN 83 2.257 -5.781 9.477 680 H LYS 84 HN LYS 84 1.211 -4.300 5.456 681 HA LYS 84 HA LYS 84 3.979 -4.915 5.416 682 HB2 LYS 84 HB2 LYS 84 2.181 -6.338 4.428 683 HB3 LYS 84 HB1 LYS 84 1.974 -5.143 3.159 684 HG2 LYS 84 HG2 LYS 84 3.271 -6.932 2.290 685 HG3 LYS 84 HG1 LYS 84 4.336 -5.541 2.490 686 HD2 LYS 84 HD2 LYS 84 5.265 -6.468 4.499 687 HD3 LYS 84 HD1 LYS 84 4.085 -7.783 4.490 688 HE2 LYS 84 HE2 LYS 84 6.201 -7.300 2.394 689 HE3 LYS 84 HE1 LYS 84 6.283 -8.511 3.675 690 HZ1 LYS 84 HZ1 LYS 84 4.256 -8.412 1.504 691 HZ2 LYS 84 HZ2 LYS 84 4.308 -9.562 2.743 692 HZ3 LYS 84 HZ3 LYS 84 5.551 -9.491 1.601 693 H LEU 85 HN LEU 85 2.044 -2.417 3.956 694 HA LEU 85 HA LEU 85 3.912 -1.439 2.088 695 HB2 LEU 85 HB2 LEU 85 1.563 -0.774 2.014 696 HB3 LEU 85 HB1 LEU 85 1.706 -0.004 3.578 697 HG LEU 85 HG LEU 85 3.441 0.996 1.362 698 HD11 LEU 85 HD11 LEU 85 1.252 0.776 0.314 699 HD12 LEU 85 HD12 LEU 85 1.640 2.471 0.604 700 HD13 LEU 85 HD13 LEU 85 0.508 1.630 1.664 701 HD21 LEU 85 HD21 LEU 85 3.077 3.123 2.492 702 HD22 LEU 85 HD22 LEU 85 3.641 1.908 3.640 703 HD23 LEU 85 HD23 LEU 85 1.936 2.360 3.599 704 H GLU 86 HN GLU 86 3.133 -0.361 5.396 705 HA GLU 86 HA GLU 86 5.172 1.439 5.767 706 HB2 GLU 86 HB2 GLU 86 3.979 -0.633 7.590 707 HB3 GLU 86 HB1 GLU 86 5.171 0.529 8.164 708 HG2 GLU 86 HG2 GLU 86 3.647 2.350 7.515 709 HG3 GLU 86 HG1 GLU 86 2.457 1.146 7.017 710 H ARG 87 HN ARG 87 5.183 -2.080 6.224 711 HA ARG 87 HA ARG 87 7.866 -2.303 6.965 712 HB2 ARG 87 HB2 ARG 87 6.133 -3.979 7.342 713 HB3 ARG 87 HB1 ARG 87 6.232 -4.326 5.646 714 HG2 ARG 87 HG2 ARG 87 8.520 -5.063 5.854 715 HG3 ARG 87 HG1 ARG 87 8.501 -4.631 7.565 716 HD2 ARG 87 HD2 ARG 87 6.597 -6.257 7.830 717 HD3 ARG 87 HD1 ARG 87 6.932 -6.796 6.188 718 HE ARG 87 HE ARG 87 9.321 -7.108 7.275 719 HH11 ARG 87 HH11 ARG 87 6.166 -7.900 8.554 720 HH12 ARG 87 HH12 ARG 87 6.744 -9.218 9.522 721 HH21 ARG 87 HH21 ARG 87 10.099 -8.849 8.566 722 HH22 ARG 87 HH22 ARG 87 8.978 -9.759 9.528 723 H GLN 88 HN GLN 88 6.435 -2.222 3.746 724 HA GLN 88 HA GLN 88 8.864 -3.404 2.588 725 HB2 GLN 88 HB2 GLN 88 6.400 -4.009 1.887 726 HB3 GLN 88 HB1 GLN 88 6.489 -2.511 0.985 727 HG2 GLN 88 HG2 GLN 88 8.290 -3.294 -0.340 728 HG3 GLN 88 HG1 GLN 88 8.504 -4.716 0.679 729 HE21 GLN 88 HE21 GLN 88 7.061 -6.419 0.512 730 HE22 GLN 88 HE22 GLN 88 6.001 -6.600 -0.841 731 H VAL 89 HN VAL 89 6.880 -0.582 2.629 732 HA VAL 89 HA VAL 89 8.249 0.978 0.829 733 HB VAL 89 HB VAL 89 6.421 1.473 3.096 734 HG11 VAL 89 HG11 VAL 89 7.953 3.700 1.710 735 HG12 VAL 89 HG12 VAL 89 8.079 3.258 3.412 736 HG13 VAL 89 HG13 VAL 89 6.574 3.929 2.785 737 HG21 VAL 89 HG21 VAL 89 5.127 2.610 1.331 738 HG22 VAL 89 HG22 VAL 89 5.544 0.951 0.900 739 HG23 VAL 89 HG23 VAL 89 6.435 2.296 0.189 740 H ARG 90 HN ARG 90 8.568 0.638 4.318 741 HA ARG 90 HA ARG 90 10.902 2.331 4.405 742 HB2 ARG 90 HB2 ARG 90 11.136 1.841 6.715 743 HB3 ARG 90 HB1 ARG 90 9.424 2.087 6.391 744 HG2 ARG 90 HG2 ARG 90 9.158 -0.391 6.334 745 HG3 ARG 90 HG1 ARG 90 10.843 -0.526 6.845 746 HD2 ARG 90 HD2 ARG 90 9.269 -0.693 8.733 747 HD3 ARG 90 HD1 ARG 90 10.357 0.685 8.884 748 HE ARG 90 HE ARG 90 8.153 1.720 7.666 749 HH11 ARG 90 HH11 ARG 90 8.669 -0.108 10.603 750 HH12 ARG 90 HH12 ARG 90 7.334 0.619 11.440 751 HH21 ARG 90 HH21 ARG 90 6.415 2.695 8.769 752 HH22 ARG 90 HH22 ARG 90 6.052 2.220 10.398 753 H LYS 91 HN LYS 91 10.351 -1.112 4.064 754 HA LYS 91 HA LYS 91 12.968 -2.027 4.459 755 HB2 LYS 91 HB2 LYS 91 10.620 -3.149 3.571 756 HB3 LYS 91 HB1 LYS 91 11.567 -3.112 2.098 757 HG2 LYS 91 HG2 LYS 91 12.490 -4.369 4.669 758 HG3 LYS 91 HG1 LYS 91 11.728 -5.243 3.342 759 HD2 LYS 91 HD2 LYS 91 13.550 -4.566 1.853 760 HD3 LYS 91 HD1 LYS 91 14.310 -3.689 3.183 761 HE2 LYS 91 HE2 LYS 91 15.340 -5.882 2.846 762 HE3 LYS 91 HE1 LYS 91 14.566 -5.765 4.426 763 HZ1 LYS 91 HZ1 LYS 91 14.051 -7.869 3.436 764 HZ2 LYS 91 HZ2 LYS 91 13.488 -7.132 2.025 765 HZ3 LYS 91 HZ3 LYS 91 12.639 -6.938 3.471 766 H TYR 92 HN TYR 92 11.312 -0.778 1.644 767 HA TYR 92 HA TYR 92 13.482 -0.965 -0.140 768 HB2 TYR 92 HB2 TYR 92 11.002 -0.774 -0.677 769 HB3 TYR 92 HB1 TYR 92 11.169 0.955 -0.379 770 HD1 TYR 92 HD1 TYR 92 11.691 -1.723 -2.735 771 HD2 TYR 92 HD2 TYR 92 12.724 2.304 -1.832 772 HE1 TYR 92 HE1 TYR 92 12.448 -1.404 -5.050 773 HE2 TYR 92 HE2 TYR 92 13.482 2.634 -4.146 774 HH TYR 92 HH TYR 92 12.774 0.464 -6.641 775 H LYS 93 HN LYS 93 12.071 1.938 1.461 776 HA LYS 93 HA LYS 93 14.046 3.651 0.376 777 HB2 LYS 93 HB2 LYS 93 13.274 5.341 1.996 778 HB3 LYS 93 HB1 LYS 93 11.957 4.601 1.103 779 HG2 LYS 93 HG2 LYS 93 11.101 3.573 2.945 780 HG3 LYS 93 HG1 LYS 93 12.665 3.469 3.755 781 HD2 LYS 93 HD2 LYS 93 11.130 5.072 4.836 782 HD3 LYS 93 HD1 LYS 93 12.610 5.831 4.253 783 HE2 LYS 93 HE2 LYS 93 11.376 6.553 2.226 784 HE3 LYS 93 HE1 LYS 93 9.901 5.892 2.930 785 HZ1 LYS 93 HZ1 LYS 93 10.157 8.307 3.276 786 HZ2 LYS 93 HZ2 LYS 93 11.555 8.012 4.186 787 HZ3 LYS 93 HZ3 LYS 93 10.063 7.442 4.729 788 H THR 94 HN THR 94 13.811 2.101 3.576 789 HA THR 94 HA THR 94 16.116 3.405 4.578 790 HB THR 94 HB THR 94 14.614 0.965 5.538 791 HG1 THR 94 HG1 THR 94 14.764 3.694 6.328 792 HG21 THR 94 HG21 THR 94 15.896 1.124 7.617 793 HG22 THR 94 HG22 THR 94 16.879 2.414 6.928 794 HG23 THR 94 HG23 THR 94 16.967 0.786 6.258 795 H ARG 95 HN ARG 95 15.613 0.297 2.915 796 HA ARG 95 HA ARG 95 18.304 -0.565 3.194 797 HB2 ARG 95 HB2 ARG 95 16.474 -2.070 2.500 798 HB3 ARG 95 HB1 ARG 95 16.343 -1.196 0.981 799 HG2 ARG 95 HG2 ARG 95 18.640 -1.863 0.418 800 HG3 ARG 95 HG1 ARG 95 18.723 -2.782 1.923 801 HD2 ARG 95 HD2 ARG 95 16.812 -4.136 1.175 802 HD3 ARG 95 HD1 ARG 95 16.788 -3.242 -0.342 803 HE ARG 95 HE ARG 95 19.030 -4.953 0.528 804 HH11 ARG 95 HH11 ARG 95 17.022 -3.576 -1.992 805 HH12 ARG 95 HH12 ARG 95 17.760 -4.506 -3.257 806 HH21 ARG 95 HH21 ARG 95 19.991 -6.179 -1.146 807 HH22 ARG 95 HH22 ARG 95 19.443 -5.975 -2.778 808 H ILE 96 HN ILE 96 16.633 1.097 0.498 809 HA ILE 96 HA ILE 96 18.962 1.209 -1.098 810 HB ILE 96 HB ILE 96 16.598 1.382 -1.955 811 HG12 ILE 96 HG12 ILE 96 17.183 2.978 -3.772 812 HG13 ILE 96 HG11 ILE 96 18.583 3.488 -2.835 813 HG21 ILE 96 HG21 ILE 96 15.774 3.063 -0.390 814 HG22 ILE 96 HG22 ILE 96 15.559 3.582 -2.061 815 HG23 ILE 96 HG23 ILE 96 16.868 4.257 -1.090 816 HD11 ILE 96 HD11 ILE 96 19.154 1.897 -4.608 817 HD12 ILE 96 HD12 ILE 96 18.108 0.697 -3.850 818 HD13 ILE 96 HD13 ILE 96 19.541 1.279 -3.003 819 H ASN 97 HN ASN 97 17.734 3.348 1.391 820 HA ASN 97 HA ASN 97 19.590 5.447 0.614 821 HB2 ASN 97 HB2 ASN 97 17.576 5.252 2.849 822 HB3 ASN 97 HB1 ASN 97 18.688 6.606 2.686 823 HD21 ASN 97 HD21 ASN 97 18.606 6.619 -0.217 824 HD22 ASN 97 HD22 ASN 97 17.059 7.253 -0.657 825 H ARG 98 HN ARG 98 19.142 3.338 3.470 826 HA ARG 98 HA ARG 98 21.447 4.500 4.737 827 HB2 ARG 98 HB2 ARG 98 19.385 3.642 5.928 828 HB3 ARG 98 HB1 ARG 98 19.973 2.020 5.607 829 HG2 ARG 98 HG2 ARG 98 20.617 2.551 7.815 830 HG3 ARG 98 HG1 ARG 98 22.076 2.649 6.831 831 HD2 ARG 98 HD2 ARG 98 20.399 5.055 7.499 832 HD3 ARG 98 HD1 ARG 98 21.715 4.505 8.524 833 HE ARG 98 HE ARG 98 23.232 4.972 6.702 834 HH11 ARG 98 HH11 ARG 98 19.992 6.273 6.364 835 HH12 ARG 98 HH12 ARG 98 20.480 7.545 5.292 836 HH21 ARG 98 HH21 ARG 98 23.876 6.663 5.303 837 HH22 ARG 98 HH22 ARG 98 22.687 7.761 4.683 838 H LYS 99 HN LYS 99 20.803 1.572 2.904 839 HA LYS 99 HA LYS 99 23.279 0.336 3.718 840 HB2 LYS 99 HB2 LYS 99 21.194 -0.949 3.125 841 HB3 LYS 99 HB1 LYS 99 21.458 -0.488 1.451 842 HG2 LYS 99 HG2 LYS 99 22.263 -2.737 1.863 843 HG3 LYS 99 HG1 LYS 99 23.600 -1.660 1.460 844 HD2 LYS 99 HD2 LYS 99 24.224 -3.114 3.294 845 HD3 LYS 99 HD1 LYS 99 24.131 -1.446 3.848 846 HE2 LYS 99 HE2 LYS 99 21.847 -1.923 4.710 847 HE3 LYS 99 HE1 LYS 99 22.080 -3.614 4.266 848 HZ1 LYS 99 HZ1 LYS 99 23.965 -3.710 5.772 849 HZ2 LYS 99 HZ2 LYS 99 22.573 -3.237 6.598 850 HZ3 LYS 99 HZ3 LYS 99 23.747 -2.088 6.195 851 H SER 100 HN SER 100 22.201 2.402 1.158 852 HA SER 100 HA SER 100 24.520 1.878 -0.491 853 HB2 SER 100 HB2 SER 100 22.390 4.001 -0.809 854 HB3 SER 100 HB1 SER 100 23.581 3.526 -2.019 855 HG SER 100 HG SER 100 21.214 2.337 -1.321 856 H ARG 101 HN ARG 101 24.810 2.953 2.259 857 HA ARG 101 HA ARG 101 25.808 5.620 2.015 858 HB2 ARG 101 HB2 ARG 101 26.744 5.270 4.237 859 HB3 ARG 101 HB1 ARG 101 25.097 4.658 4.185 860 HG2 ARG 101 HG2 ARG 101 25.945 2.381 3.950 861 HG3 ARG 101 HG1 ARG 101 27.599 2.992 3.992 862 HD2 ARG 101 HD2 ARG 101 27.098 3.945 6.251 863 HD3 ARG 101 HD1 ARG 101 25.546 3.111 6.194 864 HE ARG 101 HE ARG 101 27.714 1.329 5.707 865 HH11 ARG 101 HH11 ARG 101 25.978 2.985 8.257 866 HH12 ARG 101 HH12 ARG 101 26.432 1.847 9.485 867 HH21 ARG 101 HH21 ARG 101 28.321 -0.171 7.323 868 HH22 ARG 101 HH22 ARG 101 27.770 0.050 8.952 869 H ASP 102 HN ASP 102 26.925 2.505 1.252 870 HA ASP 102 HA ASP 102 29.363 3.583 0.132 871 HB2 ASP 102 HB2 ASP 102 30.815 1.881 1.138 872 HB3 ASP 102 HB1 ASP 102 30.087 2.883 2.384 873 H ARG 103 HN ARG 103 30.499 1.076 -0.554 874 HA ARG 103 HA ARG 103 28.678 0.467 -2.725 875 HB2 ARG 103 HB2 ARG 103 31.525 -0.380 -2.194 876 HB3 ARG 103 HB1 ARG 103 30.613 -0.818 -3.634 877 HG2 ARG 103 HG2 ARG 103 31.259 1.994 -2.773 878 HG3 ARG 103 HG1 ARG 103 32.113 1.080 -4.018 879 HD2 ARG 103 HD2 ARG 103 29.180 1.789 -4.076 880 HD3 ARG 103 HD1 ARG 103 30.448 2.640 -4.956 881 HE ARG 103 HE ARG 103 30.855 0.460 -6.109 882 HH11 ARG 103 HH11 ARG 103 27.709 1.141 -4.710 883 HH12 ARG 103 HH12 ARG 103 26.859 0.116 -5.815 884 HH21 ARG 103 HH21 ARG 103 29.738 -0.864 -7.569 885 HH22 ARG 103 HH22 ARG 103 28.017 -1.021 -7.455 886 H GLY 104 HN GLY 104 28.798 -0.672 0.273 887 HA2 GLY 104 HA2 GLY 104 28.740 -3.508 -0.218 888 HA3 GLY 104 HA1 GLY 104 28.338 -2.696 1.287 889 H ASP 105 HN ASP 105 26.642 -1.262 -1.189 890 HA ASP 105 HA ASP 105 24.152 -2.297 -0.279 891 HB2 ASP 105 HB2 ASP 105 23.127 -0.849 -1.918 892 HB3 ASP 105 HB1 ASP 105 24.449 0.019 -1.152 893 H GLN 106 HN GLN 106 26.397 -3.282 -2.635 894 HA GLN 106 HA GLN 106 24.574 -4.699 -4.320 895 HB2 GLN 106 HB2 GLN 106 27.563 -4.939 -3.981 896 HB3 GLN 106 HB1 GLN 106 26.635 -5.778 -5.213 897 HG2 GLN 106 HG2 GLN 106 25.971 -3.656 -6.185 898 HG3 GLN 106 HG1 GLN 106 26.847 -2.791 -4.925 899 HE21 GLN 106 HE21 GLN 106 29.061 -4.672 -4.905 900 HE22 GLN 106 HE22 GLN 106 29.970 -4.367 -6.344 901 H GLU 107 HN GLU 107 27.049 -5.831 -1.999 902 HA GLU 107 HA GLU 107 25.279 -7.927 -1.124 903 HB2 GLU 107 HB2 GLU 107 27.042 -9.697 -1.662 904 HB3 GLU 107 HB1 GLU 107 26.034 -9.115 -2.976 905 HG2 GLU 107 HG2 GLU 107 27.858 -7.605 -3.660 906 HG3 GLU 107 HG1 GLU 107 28.867 -8.293 -2.388 907 H VAL 108 HN VAL 108 25.521 -6.938 0.889 908 HA VAL 108 HA VAL 108 28.077 -7.605 2.192 909 HB VAL 108 HB VAL 108 27.477 -5.140 2.143 910 HG11 VAL 108 HG11 VAL 108 25.096 -5.296 2.470 911 HG12 VAL 108 HG12 VAL 108 25.816 -4.369 3.787 912 HG13 VAL 108 HG13 VAL 108 25.329 -6.043 4.050 913 HG21 VAL 108 HG21 VAL 108 29.094 -6.007 3.724 914 HG22 VAL 108 HG22 VAL 108 27.802 -6.452 4.839 915 HG23 VAL 108 HG23 VAL 108 28.112 -4.752 4.482 916 H PHE 109 HN PHE 109 25.163 -8.701 1.682 917 HA PHE 109 HA PHE 109 24.443 -9.475 4.391 918 HB2 PHE 109 HB2 PHE 109 22.680 -8.803 2.785 919 HB3 PHE 109 HB1 PHE 109 23.127 -10.152 1.749 920 HD1 PHE 109 HD1 PHE 109 21.811 -9.305 5.103 921 HD2 PHE 109 HD2 PHE 109 22.201 -12.270 2.078 922 HE1 PHE 109 HE1 PHE 109 20.225 -10.741 6.313 923 HE2 PHE 109 HE2 PHE 109 20.614 -13.713 3.284 924 HZ PHE 109 HZ PHE 109 19.622 -12.947 5.404 925 H VAL 110 HN VAL 110 25.022 -11.342 5.282 926 HA VAL 110 HA VAL 110 26.605 -13.199 3.728 927 HB VAL 110 HB VAL 110 26.886 -14.366 5.981 928 HG11 VAL 110 HG11 VAL 110 28.589 -12.921 5.015 929 HG12 VAL 110 HG12 VAL 110 28.514 -12.704 6.763 930 HG13 VAL 110 HG13 VAL 110 27.792 -11.502 5.693 931 HG21 VAL 110 HG21 VAL 110 26.398 -13.034 7.974 932 HG22 VAL 110 HG22 VAL 110 24.920 -13.424 7.099 933 HG23 VAL 110 HG23 VAL 110 25.617 -11.811 6.973 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 1.008 13.233 -9.656 2 H2 MET 1 HT2 MET 1 0.819 11.612 -9.214 3 H3 MET 1 HT3 MET 1 1.954 12.580 -8.415 4 HA MET 1 HA MET 1 0.265 13.917 -7.450 5 HB2 MET 1 HB2 MET 1 -1.632 12.129 -8.991 6 HB3 MET 1 HB1 MET 1 -2.125 13.285 -7.763 7 HG2 MET 1 HG2 MET 1 -2.524 14.299 -9.851 8 HG3 MET 1 HG1 MET 1 -1.094 15.080 -9.181 9 HE1 MET 1 HE1 MET 1 -0.474 16.089 -11.556 10 HE2 MET 1 HE2 MET 1 -1.925 15.346 -12.227 11 HE3 MET 1 HE3 MET 1 -0.370 15.124 -13.028 12 H ILE 2 HN ILE 2 -0.705 13.327 -5.457 13 HA ILE 2 HA ILE 2 -0.120 10.565 -4.644 14 HB ILE 2 HB ILE 2 -0.413 11.489 -2.297 15 HG12 ILE 2 HG12 ILE 2 -0.276 14.136 -3.767 16 HG13 ILE 2 HG11 ILE 2 -1.674 13.523 -2.892 17 HG21 ILE 2 HG21 ILE 2 1.783 12.654 -4.005 18 HG22 ILE 2 HG22 ILE 2 1.773 11.051 -3.273 19 HG23 ILE 2 HG23 ILE 2 1.822 12.486 -2.249 20 HD11 ILE 2 HD11 ILE 2 -0.501 15.181 -1.586 21 HD12 ILE 2 HD12 ILE 2 0.990 14.248 -1.702 22 HD13 ILE 2 HD13 ILE 2 -0.387 13.602 -0.813 23 H ARG 3 HN ARG 3 -1.986 9.560 -5.473 24 HA ARG 3 HA ARG 3 -4.556 10.574 -4.523 25 HB2 ARG 3 HB2 ARG 3 -5.234 9.809 -6.899 26 HB3 ARG 3 HB1 ARG 3 -4.575 11.411 -6.665 27 HG2 ARG 3 HG2 ARG 3 -2.410 10.607 -7.428 28 HG3 ARG 3 HG1 ARG 3 -3.059 8.975 -7.589 29 HD2 ARG 3 HD2 ARG 3 -4.639 9.773 -9.276 30 HD3 ARG 3 HD1 ARG 3 -3.988 11.403 -9.112 31 HE ARG 3 HE ARG 3 -2.038 9.385 -9.820 32 HH11 ARG 3 HH11 ARG 3 -4.343 11.742 -10.988 33 HH12 ARG 3 HH12 ARG 3 -3.580 11.910 -12.534 34 HH21 ARG 3 HH21 ARG 3 -1.047 9.571 -11.856 35 HH22 ARG 3 HH22 ARG 3 -1.694 10.675 -13.032 36 H PHE 4 HN PHE 4 -6.201 9.059 -4.356 37 HA PHE 4 HA PHE 4 -5.387 6.257 -4.539 38 HB2 PHE 4 HB2 PHE 4 -7.519 5.830 -3.258 39 HB3 PHE 4 HB1 PHE 4 -6.295 6.747 -2.395 40 HD1 PHE 4 HD1 PHE 4 -9.587 6.882 -3.984 41 HD2 PHE 4 HD2 PHE 4 -6.645 9.045 -1.802 42 HE1 PHE 4 HE1 PHE 4 -11.241 8.634 -3.503 43 HE2 PHE 4 HE2 PHE 4 -8.295 10.803 -1.315 44 HZ PHE 4 HZ PHE 4 -10.595 10.598 -2.167 45 H GLU 5 HN GLU 5 -6.076 5.031 -6.125 46 HA GLU 5 HA GLU 5 -8.386 5.932 -7.701 47 HB2 GLU 5 HB2 GLU 5 -5.797 4.677 -8.640 48 HB3 GLU 5 HB1 GLU 5 -7.241 4.726 -9.640 49 HG2 GLU 5 HG2 GLU 5 -5.945 7.183 -8.492 50 HG3 GLU 5 HG1 GLU 5 -5.559 6.527 -10.082 51 H ILE 6 HN ILE 6 -9.673 4.777 -6.414 52 HA ILE 6 HA ILE 6 -9.252 1.908 -6.137 53 HB ILE 6 HB ILE 6 -11.280 3.795 -4.947 54 HG12 ILE 6 HG12 ILE 6 -8.986 2.434 -3.550 55 HG13 ILE 6 HG11 ILE 6 -8.853 4.037 -4.259 56 HG21 ILE 6 HG21 ILE 6 -12.135 1.443 -5.152 57 HG22 ILE 6 HG22 ILE 6 -11.948 1.963 -3.475 58 HG23 ILE 6 HG23 ILE 6 -10.749 0.901 -4.203 59 HD11 ILE 6 HD11 ILE 6 -10.682 4.785 -2.783 60 HD12 ILE 6 HD12 ILE 6 -9.257 4.225 -1.911 61 HD13 ILE 6 HD13 ILE 6 -10.682 3.191 -2.028 62 H HIS 7 HN HIS 7 -10.479 0.480 -7.100 63 HA HIS 7 HA HIS 7 -13.010 1.337 -8.384 64 HB2 HIS 7 HB2 HIS 7 -10.948 -0.628 -9.279 65 HB3 HIS 7 HB1 HIS 7 -12.634 -0.895 -9.674 66 HD1 HIS 7 HD1 HIS 7 -9.734 1.340 -10.526 67 HD2 HIS 7 HD2 HIS 7 -13.729 0.853 -11.569 68 HE1 HIS 7 HE1 HIS 7 -10.080 2.747 -12.576 69 HE2 HIS 7 HE2 HIS 7 -12.440 2.274 -13.296 70 H GLY 8 HN GLY 8 -14.393 0.773 -6.728 71 HA2 GLY 8 HA2 GLY 8 -13.723 -1.795 -5.589 72 HA3 GLY 8 HA1 GLY 8 -14.654 -0.570 -4.729 73 H ASP 9 HN ASP 9 -14.873 -3.451 -6.398 74 HA ASP 9 HA ASP 9 -17.562 -2.996 -7.435 75 HB2 ASP 9 HB2 ASP 9 -15.891 -4.280 -8.773 76 HB3 ASP 9 HB1 ASP 9 -15.882 -5.514 -7.518 77 H ASN 10 HN ASN 10 -18.442 -2.618 -5.328 78 HA ASN 10 HA ASN 10 -19.181 -5.111 -3.972 79 HB2 ASN 10 HB2 ASN 10 -18.886 -4.095 -1.782 80 HB3 ASN 10 HB1 ASN 10 -17.368 -4.020 -2.667 81 HD21 ASN 10 HD21 ASN 10 -18.316 -2.420 -0.428 82 HD22 ASN 10 HD22 ASN 10 -18.265 -0.776 -0.955 83 H LEU 11 HN LEU 11 -20.835 -4.049 -2.040 84 HA LEU 11 HA LEU 11 -23.162 -3.377 -3.456 85 HB2 LEU 11 HB2 LEU 11 -22.544 -2.896 -0.536 86 HB3 LEU 11 HB1 LEU 11 -24.134 -2.791 -1.255 87 HG LEU 11 HG LEU 11 -24.151 -4.858 -0.207 88 HD11 LEU 11 HD11 LEU 11 -23.274 -5.471 -3.019 89 HD12 LEU 11 HD12 LEU 11 -24.906 -5.030 -2.517 90 HD13 LEU 11 HD13 LEU 11 -24.188 -6.538 -1.953 91 HD21 LEU 11 HD21 LEU 11 -21.758 -4.925 0.342 92 HD22 LEU 11 HD22 LEU 11 -21.410 -5.455 -1.303 93 HD23 LEU 11 HD23 LEU 11 -22.363 -6.478 -0.231 94 H THR 12 HN THR 12 -21.119 -1.345 -1.368 95 HA THR 12 HA THR 12 -21.249 0.841 -3.195 96 HB THR 12 HB THR 12 -23.433 1.226 -2.258 97 HG1 THR 12 HG1 THR 12 -21.786 3.030 -2.413 98 HG21 THR 12 HG21 THR 12 -22.122 1.144 0.462 99 HG22 THR 12 HG22 THR 12 -23.220 -0.068 -0.198 100 HG23 THR 12 HG23 THR 12 -23.805 1.560 0.142 101 H ILE 13 HN ILE 13 -19.362 1.897 -3.022 102 HA ILE 13 HA ILE 13 -17.758 1.566 -0.633 103 HB ILE 13 HB ILE 13 -16.083 2.998 -1.774 104 HG12 ILE 13 HG12 ILE 13 -17.946 2.873 -4.153 105 HG13 ILE 13 HG11 ILE 13 -17.727 4.298 -3.144 106 HG21 ILE 13 HG21 ILE 13 -17.089 0.631 -3.342 107 HG22 ILE 13 HG22 ILE 13 -15.954 0.602 -1.993 108 HG23 ILE 13 HG23 ILE 13 -15.493 1.358 -3.517 109 HD11 ILE 13 HD11 ILE 13 -15.590 2.948 -4.773 110 HD12 ILE 13 HD12 ILE 13 -15.376 4.383 -3.772 111 HD13 ILE 13 HD13 ILE 13 -16.425 4.444 -5.187 112 H THR 14 HN THR 14 -17.689 2.923 1.013 113 HA THR 14 HA THR 14 -19.300 5.354 0.830 114 HB THR 14 HB THR 14 -19.023 5.350 3.350 115 HG1 THR 14 HG1 THR 14 -18.302 2.645 3.166 116 HG21 THR 14 HG21 THR 14 -21.053 4.503 2.281 117 HG22 THR 14 HG22 THR 14 -20.649 3.540 3.701 118 HG23 THR 14 HG23 THR 14 -20.303 2.920 2.088 119 H ASP 15 HN ASP 15 -18.511 7.325 1.813 120 HA ASP 15 HA ASP 15 -15.875 7.968 1.010 121 HB2 ASP 15 HB2 ASP 15 -17.937 9.476 2.602 122 HB3 ASP 15 HB1 ASP 15 -16.334 10.137 2.290 123 H ALA 16 HN ALA 16 -17.115 6.509 3.754 124 HA ALA 16 HA ALA 16 -15.368 7.120 5.812 125 HB1 ALA 16 HB1 ALA 16 -17.302 5.542 5.911 126 HB2 ALA 16 HB2 ALA 16 -15.828 4.896 6.637 127 HB3 ALA 16 HB3 ALA 16 -16.318 4.370 5.019 128 H ILE 17 HN ILE 17 -15.080 4.489 3.496 129 HA ILE 17 HA ILE 17 -12.417 3.784 4.125 130 HB ILE 17 HB ILE 17 -14.175 3.282 1.756 131 HG12 ILE 17 HG12 ILE 17 -13.786 0.855 2.756 132 HG13 ILE 17 HG11 ILE 17 -13.390 1.771 4.209 133 HG21 ILE 17 HG21 ILE 17 -11.909 3.242 0.915 134 HG22 ILE 17 HG22 ILE 17 -12.508 1.586 1.016 135 HG23 ILE 17 HG23 ILE 17 -11.397 2.197 2.241 136 HD11 ILE 17 HD11 ILE 17 -15.978 1.986 2.695 137 HD12 ILE 17 HD12 ILE 17 -15.575 2.767 4.222 138 HD13 ILE 17 HD13 ILE 17 -15.724 1.013 4.143 139 H ARG 18 HN ARG 18 -13.905 5.741 1.616 140 HA ARG 18 HA ARG 18 -11.691 6.267 0.095 141 HB2 ARG 18 HB2 ARG 18 -13.912 6.937 -0.611 142 HB3 ARG 18 HB1 ARG 18 -14.038 8.051 0.742 143 HG2 ARG 18 HG2 ARG 18 -12.363 9.478 -0.196 144 HG3 ARG 18 HG1 ARG 18 -12.046 8.319 -1.489 145 HD2 ARG 18 HD2 ARG 18 -14.723 9.623 -1.037 146 HD3 ARG 18 HD1 ARG 18 -13.499 10.263 -2.135 147 HE ARG 18 HE ARG 18 -13.684 7.904 -3.172 148 HH11 ARG 18 HH11 ARG 18 -16.368 9.671 -1.751 149 HH12 ARG 18 HH12 ARG 18 -17.534 8.999 -2.854 150 HH21 ARG 18 HH21 ARG 18 -15.223 7.023 -4.594 151 HH22 ARG 18 HH22 ARG 18 -16.888 7.499 -4.462 152 H ASN 19 HN ASN 19 -12.981 8.003 2.878 153 HA ASN 19 HA ASN 19 -10.898 9.835 3.276 154 HB2 ASN 19 HB2 ASN 19 -13.275 9.372 4.504 155 HB3 ASN 19 HB1 ASN 19 -12.179 8.658 5.674 156 HD21 ASN 19 HD21 ASN 19 -10.818 9.937 6.856 157 HD22 ASN 19 HD22 ASN 19 -10.904 11.664 6.848 158 H TYR 20 HN TYR 20 -11.503 6.635 4.654 159 HA TYR 20 HA TYR 20 -9.303 6.277 6.264 160 HB2 TYR 20 HB2 TYR 20 -11.267 4.633 5.735 161 HB3 TYR 20 HB1 TYR 20 -10.220 4.056 4.448 162 HD1 TYR 20 HD1 TYR 20 -11.034 3.774 7.898 163 HD2 TYR 20 HD2 TYR 20 -7.855 3.257 5.115 164 HE1 TYR 20 HE1 TYR 20 -9.884 2.293 9.491 165 HE2 TYR 20 HE2 TYR 20 -6.699 1.777 6.700 166 HH TYR 20 HH TYR 20 -6.636 1.331 9.083 167 H ILE 21 HN ILE 21 -9.420 6.235 2.751 168 HA ILE 21 HA ILE 21 -6.804 4.966 2.543 169 HB ILE 21 HB ILE 21 -8.700 6.019 0.450 170 HG12 ILE 21 HG12 ILE 21 -9.662 4.100 1.600 171 HG13 ILE 21 HG11 ILE 21 -9.174 3.620 -0.021 172 HG21 ILE 21 HG21 ILE 21 -6.213 4.325 0.138 173 HG22 ILE 21 HG22 ILE 21 -6.393 6.014 -0.335 174 HG23 ILE 21 HG23 ILE 21 -7.321 4.764 -1.163 175 HD11 ILE 21 HD11 ILE 21 -7.678 3.059 2.528 176 HD12 ILE 21 HD12 ILE 21 -7.146 2.606 0.908 177 HD13 ILE 21 HD13 ILE 21 -8.618 1.905 1.581 178 H GLU 22 HN GLU 22 -8.520 7.937 2.368 179 HA GLU 22 HA GLU 22 -6.526 9.397 1.081 180 HB2 GLU 22 HB2 GLU 22 -8.796 10.255 1.176 181 HB3 GLU 22 HB1 GLU 22 -8.710 10.335 2.930 182 HG2 GLU 22 HG2 GLU 22 -8.443 12.533 2.176 183 HG3 GLU 22 HG1 GLU 22 -6.835 11.992 2.640 184 H GLU 23 HN GLU 23 -7.251 8.576 4.334 185 HA GLU 23 HA GLU 23 -5.202 10.174 5.566 186 HB2 GLU 23 HB2 GLU 23 -6.593 7.812 6.809 187 HB3 GLU 23 HB1 GLU 23 -5.955 9.247 7.604 188 HG2 GLU 23 HG2 GLU 23 -7.702 10.603 6.646 189 HG3 GLU 23 HG1 GLU 23 -8.315 9.212 5.719 190 H LYS 24 HN LYS 24 -5.664 6.863 4.525 191 HA LYS 24 HA LYS 24 -3.345 5.651 5.441 192 HB2 LYS 24 HB2 LYS 24 -5.195 4.512 4.244 193 HB3 LYS 24 HB1 LYS 24 -4.704 5.302 2.755 194 HG2 LYS 24 HG2 LYS 24 -2.481 4.132 3.026 195 HG3 LYS 24 HG1 LYS 24 -3.253 3.175 4.294 196 HD2 LYS 24 HD2 LYS 24 -5.017 2.546 2.636 197 HD3 LYS 24 HD1 LYS 24 -4.067 3.361 1.394 198 HE2 LYS 24 HE2 LYS 24 -3.292 0.946 3.017 199 HE3 LYS 24 HE1 LYS 24 -3.585 1.024 1.282 200 HZ1 LYS 24 HZ1 LYS 24 -1.257 0.989 1.628 201 HZ2 LYS 24 HZ2 LYS 24 -1.327 2.217 2.787 202 HZ3 LYS 24 HZ3 LYS 24 -1.648 2.567 1.160 203 H ILE 25 HN ILE 25 -3.808 6.933 2.159 204 HA ILE 25 HA ILE 25 -1.099 7.057 1.463 205 HB ILE 25 HB ILE 25 -3.361 8.780 0.431 206 HG12 ILE 25 HG12 ILE 25 -2.231 6.176 -0.613 207 HG13 ILE 25 HG11 ILE 25 -3.790 6.375 0.180 208 HG21 ILE 25 HG21 ILE 25 -1.960 9.076 -1.564 209 HG22 ILE 25 HG22 ILE 25 -0.662 8.181 -0.777 210 HG23 ILE 25 HG23 ILE 25 -1.188 9.730 -0.119 211 HD11 ILE 25 HD11 ILE 25 -2.970 7.597 -2.441 212 HD12 ILE 25 HD12 ILE 25 -4.529 7.812 -1.647 213 HD13 ILE 25 HD13 ILE 25 -4.045 6.217 -2.220 214 H GLY 26 HN GLY 26 -3.231 9.332 3.071 215 HA2 GLY 26 HA2 GLY 26 -1.573 11.551 3.183 216 HA3 GLY 26 HA1 GLY 26 -2.753 11.118 4.408 217 H LYS 27 HN LYS 27 -1.550 8.656 5.332 218 HA LYS 27 HA LYS 27 0.387 9.993 7.003 219 HB2 LYS 27 HB2 LYS 27 0.194 8.131 8.490 220 HB3 LYS 27 HB1 LYS 27 -1.425 8.573 7.974 221 HG2 LYS 27 HG2 LYS 27 -0.882 6.698 6.144 222 HG3 LYS 27 HG1 LYS 27 0.119 6.115 7.478 223 HD2 LYS 27 HD2 LYS 27 -1.906 6.375 8.954 224 HD3 LYS 27 HD1 LYS 27 -2.831 6.661 7.474 225 HE2 LYS 27 HE2 LYS 27 -2.260 4.468 6.644 226 HE3 LYS 27 HE1 LYS 27 -1.190 4.186 8.016 227 HZ1 LYS 27 HZ1 LYS 27 -3.098 4.268 9.486 228 HZ2 LYS 27 HZ2 LYS 27 -3.325 3.082 8.303 229 HZ3 LYS 27 HZ3 LYS 27 -4.132 4.564 8.182 230 H LEU 28 HN LEU 28 0.178 7.732 4.424 231 HA LEU 28 HA LEU 28 2.866 6.805 4.635 232 HB2 LEU 28 HB2 LEU 28 1.178 6.977 2.162 233 HB3 LEU 28 HB1 LEU 28 2.552 5.915 2.442 234 HG LEU 28 HG LEU 28 0.020 5.867 4.051 235 HD11 LEU 28 HD11 LEU 28 -0.479 3.774 2.796 236 HD12 LEU 28 HD12 LEU 28 0.897 4.103 1.745 237 HD13 LEU 28 HD13 LEU 28 -0.481 5.201 1.764 238 HD21 LEU 28 HD21 LEU 28 2.372 3.983 3.904 239 HD22 LEU 28 HD22 LEU 28 0.878 3.668 4.787 240 HD23 LEU 28 HD23 LEU 28 1.914 5.014 5.260 241 H GLU 29 HN GLU 29 1.258 9.380 2.866 242 HA GLU 29 HA GLU 29 3.480 10.447 1.529 243 HB2 GLU 29 HB2 GLU 29 1.268 11.083 0.855 244 HB3 GLU 29 HB1 GLU 29 0.884 11.682 2.460 245 HG2 GLU 29 HG2 GLU 29 3.168 13.005 1.189 246 HG3 GLU 29 HG1 GLU 29 1.634 13.218 0.350 247 H ARG 30 HN ARG 30 2.185 10.969 4.765 248 HA ARG 30 HA ARG 30 3.836 13.147 5.366 249 HB2 ARG 30 HB2 ARG 30 2.331 11.308 7.064 250 HB3 ARG 30 HB1 ARG 30 3.290 12.590 7.758 251 HG2 ARG 30 HG2 ARG 30 0.949 12.840 5.900 252 HG3 ARG 30 HG1 ARG 30 1.026 13.343 7.590 253 HD2 ARG 30 HD2 ARG 30 2.415 14.538 5.206 254 HD3 ARG 30 HD1 ARG 30 1.255 15.306 6.286 255 HE ARG 30 HE ARG 30 3.043 15.070 8.034 256 HH11 ARG 30 HH11 ARG 30 3.832 15.260 4.623 257 HH12 ARG 30 HH12 ARG 30 5.400 15.951 4.901 258 HH21 ARG 30 HH21 ARG 30 5.111 15.951 8.400 259 HH22 ARG 30 HH22 ARG 30 6.133 16.342 7.052 260 H TYR 31 HN TYR 31 4.728 9.974 4.950 261 HA TYR 31 HA TYR 31 6.947 9.985 6.770 262 HB2 TYR 31 HB2 TYR 31 6.470 8.363 4.259 263 HB3 TYR 31 HB1 TYR 31 7.799 8.106 5.377 264 HD1 TYR 31 HD1 TYR 31 5.498 6.198 4.462 265 HD2 TYR 31 HD2 TYR 31 6.121 8.584 7.928 266 HE1 TYR 31 HE1 TYR 31 4.088 4.664 5.766 267 HE2 TYR 31 HE2 TYR 31 4.713 7.058 9.238 268 HH TYR 31 HH TYR 31 3.876 4.011 8.246 269 H PHE 32 HN PHE 32 6.187 11.427 3.791 270 HA PHE 32 HA PHE 32 8.986 12.081 3.258 271 HB2 PHE 32 HB2 PHE 32 6.875 12.130 1.159 272 HB3 PHE 32 HB1 PHE 32 8.578 11.819 1.027 273 HD1 PHE 32 HD1 PHE 32 9.246 9.558 2.522 274 HD2 PHE 32 HD2 PHE 32 5.589 10.352 0.492 275 HE1 PHE 32 HE1 PHE 32 8.823 7.145 2.341 276 HE2 PHE 32 HE2 PHE 32 5.155 7.940 0.324 277 HZ PHE 32 HZ PHE 32 6.773 6.332 1.249 278 H ASN 33 HN ASN 33 9.220 14.192 2.150 279 HA ASN 33 HA ASN 33 6.769 15.808 2.182 280 HB2 ASN 33 HB2 ASN 33 8.532 16.674 3.749 281 HB3 ASN 33 HB1 ASN 33 9.596 16.887 2.363 282 HD21 ASN 33 HD21 ASN 33 9.220 18.567 0.934 283 HD22 ASN 33 HD22 ASN 33 8.117 19.852 1.278 284 H ASP 34 HN ASP 34 9.373 14.505 0.454 285 HA ASP 34 HA ASP 34 9.075 16.188 -1.786 286 HB2 ASP 34 HB2 ASP 34 11.088 15.099 -2.651 287 HB3 ASP 34 HB1 ASP 34 11.337 15.679 -1.007 288 H VAL 35 HN VAL 35 6.964 14.310 -1.136 289 HA VAL 35 HA VAL 35 7.245 12.304 -3.233 290 HB VAL 35 HB VAL 35 6.566 11.443 -1.078 291 HG11 VAL 35 HG11 VAL 35 5.426 13.320 -0.121 292 HG12 VAL 35 HG12 VAL 35 4.327 11.938 -0.160 293 HG13 VAL 35 HG13 VAL 35 4.162 13.229 -1.349 294 HG21 VAL 35 HG21 VAL 35 4.577 10.180 -1.777 295 HG22 VAL 35 HG22 VAL 35 5.796 10.269 -3.049 296 HG23 VAL 35 HG23 VAL 35 4.363 11.294 -3.128 297 HA PRO 36 HA PRO 36 4.361 14.776 -5.629 298 HB2 PRO 36 HB2 PRO 36 5.488 14.340 -8.015 299 HB3 PRO 36 HB1 PRO 36 6.199 15.460 -6.849 300 HG2 PRO 36 HG2 PRO 36 7.095 12.761 -7.656 301 HG3 PRO 36 HG1 PRO 36 8.038 14.117 -7.022 302 HD2 PRO 36 HD2 PRO 36 7.050 11.844 -5.591 303 HD3 PRO 36 HD1 PRO 36 7.949 13.229 -4.945 304 H ASN 37 HN ASN 37 4.948 11.454 -5.438 305 HA ASN 37 HA ASN 37 2.530 10.861 -6.938 306 HB2 ASN 37 HB2 ASN 37 4.276 10.662 -8.635 307 HB3 ASN 37 HB1 ASN 37 5.182 9.566 -7.598 308 HD21 ASN 37 HD21 ASN 37 5.142 7.909 -9.084 309 HD22 ASN 37 HD22 ASN 37 3.707 7.015 -9.443 310 H ALA 38 HN ALA 38 1.339 9.664 -5.693 311 HA ALA 38 HA ALA 38 2.310 7.156 -4.683 312 HB1 ALA 38 HB1 ALA 38 2.901 8.674 -2.812 313 HB2 ALA 38 HB2 ALA 38 1.656 7.502 -2.370 314 HB3 ALA 38 HB3 ALA 38 1.210 9.172 -2.717 315 H VAL 39 HN VAL 39 0.739 5.839 -5.371 316 HA VAL 39 HA VAL 39 -1.977 6.888 -5.592 317 HB VAL 39 HB VAL 39 -0.203 5.270 -7.350 318 HG11 VAL 39 HG11 VAL 39 -2.129 3.834 -6.717 319 HG12 VAL 39 HG12 VAL 39 -1.936 4.143 -8.453 320 HG13 VAL 39 HG13 VAL 39 -3.178 5.002 -7.538 321 HG21 VAL 39 HG21 VAL 39 -0.708 7.653 -7.770 322 HG22 VAL 39 HG22 VAL 39 -2.402 7.212 -8.004 323 HG23 VAL 39 HG23 VAL 39 -1.166 6.584 -9.094 324 H ALA 40 HN ALA 40 -3.690 5.423 -5.104 325 HA ALA 40 HA ALA 40 -2.893 2.735 -4.144 326 HB1 ALA 40 HB1 ALA 40 -3.577 4.059 -2.207 327 HB2 ALA 40 HB2 ALA 40 -4.797 2.830 -2.556 328 HB3 ALA 40 HB3 ALA 40 -5.080 4.509 -3.014 329 H HIS 41 HN HIS 41 -3.301 1.920 -6.207 330 HA HIS 41 HA HIS 41 -5.952 2.116 -7.365 331 HB2 HIS 41 HB2 HIS 41 -3.842 1.929 -8.739 332 HB3 HIS 41 HB1 HIS 41 -3.656 0.292 -8.131 333 HD1 HIS 41 HD1 HIS 41 -4.459 1.697 -11.107 334 HD2 HIS 41 HD2 HIS 41 -6.555 -0.974 -8.710 335 HE1 HIS 41 HE1 HIS 41 -6.035 0.496 -12.651 336 HE2 HIS 41 HE2 HIS 41 -7.151 -1.238 -11.213 337 H VAL 42 HN VAL 42 -7.381 1.196 -5.929 338 HA VAL 42 HA VAL 42 -6.766 -1.508 -4.892 339 HB VAL 42 HB VAL 42 -7.821 1.020 -3.730 340 HG11 VAL 42 HG11 VAL 42 -8.962 -0.129 -1.952 341 HG12 VAL 42 HG12 VAL 42 -8.586 -1.685 -2.696 342 HG13 VAL 42 HG13 VAL 42 -9.661 -0.552 -3.514 343 HG21 VAL 42 HG21 VAL 42 -5.550 0.335 -3.272 344 HG22 VAL 42 HG22 VAL 42 -6.139 -1.252 -2.737 345 HG23 VAL 42 HG23 VAL 42 -6.519 0.192 -1.794 346 H LYS 43 HN LYS 43 -8.467 -2.833 -4.679 347 HA LYS 43 HA LYS 43 -10.987 -2.162 -6.007 348 HB2 LYS 43 HB2 LYS 43 -9.521 -2.975 -7.803 349 HB3 LYS 43 HB1 LYS 43 -9.151 -4.412 -6.876 350 HG2 LYS 43 HG2 LYS 43 -11.548 -5.053 -7.020 351 HG3 LYS 43 HG1 LYS 43 -11.798 -3.669 -8.088 352 HD2 LYS 43 HD2 LYS 43 -9.894 -5.958 -8.596 353 HD3 LYS 43 HD1 LYS 43 -11.476 -5.753 -9.348 354 HE2 LYS 43 HE2 LYS 43 -9.269 -3.722 -9.577 355 HE3 LYS 43 HE1 LYS 43 -9.503 -5.027 -10.733 356 HZ1 LYS 43 HZ1 LYS 43 -10.545 -2.912 -11.407 357 HZ2 LYS 43 HZ2 LYS 43 -11.571 -3.009 -10.066 358 HZ3 LYS 43 HZ3 LYS 43 -11.652 -4.179 -11.277 359 H VAL 44 HN VAL 44 -12.641 -3.403 -5.333 360 HA VAL 44 HA VAL 44 -12.080 -5.521 -3.378 361 HB VAL 44 HB VAL 44 -12.616 -3.247 -2.270 362 HG11 VAL 44 HG11 VAL 44 -15.295 -3.949 -3.411 363 HG12 VAL 44 HG12 VAL 44 -14.286 -2.569 -3.879 364 HG13 VAL 44 HG13 VAL 44 -14.987 -2.644 -2.255 365 HG21 VAL 44 HG21 VAL 44 -14.136 -4.242 -0.619 366 HG22 VAL 44 HG22 VAL 44 -12.829 -5.341 -1.046 367 HG23 VAL 44 HG23 VAL 44 -14.438 -5.589 -1.716 368 H LYS 45 HN LYS 45 -13.952 -6.848 -3.106 369 HA LYS 45 HA LYS 45 -16.043 -6.809 -5.104 370 HB2 LYS 45 HB2 LYS 45 -13.924 -8.967 -4.949 371 HB3 LYS 45 HB1 LYS 45 -15.460 -9.184 -5.773 372 HG2 LYS 45 HG2 LYS 45 -14.902 -7.640 -7.445 373 HG3 LYS 45 HG1 LYS 45 -13.571 -6.971 -6.499 374 HD2 LYS 45 HD2 LYS 45 -12.356 -9.087 -6.718 375 HD3 LYS 45 HD1 LYS 45 -13.688 -9.753 -7.665 376 HE2 LYS 45 HE2 LYS 45 -13.306 -8.200 -9.433 377 HE3 LYS 45 HE1 LYS 45 -12.167 -7.280 -8.452 378 HZ1 LYS 45 HZ1 LYS 45 -10.588 -9.012 -8.567 379 HZ2 LYS 45 HZ2 LYS 45 -11.156 -8.792 -10.147 380 HZ3 LYS 45 HZ3 LYS 45 -11.707 -10.100 -9.230 381 H THR 46 HN THR 46 -17.705 -7.015 -3.714 382 HA THR 46 HA THR 46 -17.949 -9.413 -2.176 383 HB THR 46 HB THR 46 -16.614 -8.179 -0.580 384 HG1 THR 46 HG1 THR 46 -17.971 -8.439 1.146 385 HG21 THR 46 HG21 THR 46 -17.070 -5.899 -1.321 386 HG22 THR 46 HG22 THR 46 -17.370 -6.071 0.408 387 HG23 THR 46 HG23 THR 46 -18.724 -6.027 -0.721 388 H TYR 47 HN TYR 47 -19.980 -9.992 -2.147 389 HA TYR 47 HA TYR 47 -22.067 -7.926 -2.261 390 HB2 TYR 47 HB2 TYR 47 -23.405 -9.833 -3.452 391 HB3 TYR 47 HB1 TYR 47 -22.275 -8.862 -4.384 392 HD1 TYR 47 HD1 TYR 47 -22.979 -12.183 -3.028 393 HD2 TYR 47 HD2 TYR 47 -20.144 -9.813 -5.137 394 HE1 TYR 47 HE1 TYR 47 -21.809 -14.222 -3.745 395 HE2 TYR 47 HE2 TYR 47 -18.970 -11.846 -5.857 396 HH TYR 47 HH TYR 47 -18.707 -14.164 -5.144 397 H SER 48 HN SER 48 -21.621 -8.225 0.073 398 HA SER 48 HA SER 48 -23.553 -9.715 1.420 399 HB2 SER 48 HB2 SER 48 -22.158 -11.452 2.477 400 HB3 SER 48 HB1 SER 48 -22.198 -11.665 0.728 401 HG SER 48 HG SER 48 -20.157 -10.774 0.587 402 H ASN 49 HN ASN 49 -22.669 -9.979 3.877 403 HA ASN 49 HA ASN 49 -21.293 -7.448 4.498 404 HB2 ASN 49 HB2 ASN 49 -23.474 -8.901 6.004 405 HB3 ASN 49 HB1 ASN 49 -22.538 -7.584 6.699 406 HD21 ASN 49 HD21 ASN 49 -22.823 -5.501 5.929 407 HD22 ASN 49 HD22 ASN 49 -24.196 -5.048 4.980 408 H SER 50 HN SER 50 -20.546 -10.521 4.228 409 HA SER 50 HA SER 50 -18.875 -10.484 6.615 410 HB2 SER 50 HB2 SER 50 -20.330 -12.911 5.568 411 HB3 SER 50 HB1 SER 50 -19.167 -12.924 6.895 412 HG SER 50 HG SER 50 -20.702 -11.188 7.760 413 H ALA 51 HN ALA 51 -18.663 -10.114 3.611 414 HA ALA 51 HA ALA 51 -16.239 -11.764 3.281 415 HB1 ALA 51 HB1 ALA 51 -16.972 -11.182 0.716 416 HB2 ALA 51 HB2 ALA 51 -18.531 -11.534 1.495 417 HB3 ALA 51 HB3 ALA 51 -17.238 -12.737 1.532 418 H THR 52 HN THR 52 -14.629 -10.894 1.956 419 HA THR 52 HA THR 52 -15.134 -8.639 0.490 420 HB THR 52 HB THR 52 -13.015 -8.402 2.624 421 HG1 THR 52 HG1 THR 52 -15.256 -7.791 3.105 422 HG21 THR 52 HG21 THR 52 -12.655 -6.121 1.586 423 HG22 THR 52 HG22 THR 52 -13.524 -6.739 0.186 424 HG23 THR 52 HG23 THR 52 -12.023 -7.506 0.704 425 H LYS 53 HN LYS 53 -14.040 -8.825 -1.428 426 HA LYS 53 HA LYS 53 -11.439 -10.176 -1.280 427 HB2 LYS 53 HB2 LYS 53 -12.923 -11.582 -2.572 428 HB3 LYS 53 HB1 LYS 53 -13.460 -10.211 -3.528 429 HG2 LYS 53 HG2 LYS 53 -11.054 -10.021 -4.326 430 HG3 LYS 53 HG1 LYS 53 -10.810 -11.615 -3.610 431 HD2 LYS 53 HD2 LYS 53 -12.955 -10.999 -5.636 432 HD3 LYS 53 HD1 LYS 53 -11.360 -11.619 -6.059 433 HE2 LYS 53 HE2 LYS 53 -13.176 -13.020 -4.115 434 HE3 LYS 53 HE1 LYS 53 -13.243 -13.314 -5.852 435 HZ1 LYS 53 HZ1 LYS 53 -11.846 -14.933 -4.744 436 HZ2 LYS 53 HZ2 LYS 53 -10.861 -13.708 -4.122 437 HZ3 LYS 53 HZ3 LYS 53 -10.920 -13.979 -5.789 438 H ILE 54 HN ILE 54 -9.807 -8.923 -1.609 439 HA ILE 54 HA ILE 54 -10.358 -6.335 -2.872 440 HB ILE 54 HB ILE 54 -8.436 -5.593 -1.243 441 HG12 ILE 54 HG12 ILE 54 -8.899 -6.793 1.000 442 HG13 ILE 54 HG11 ILE 54 -9.487 -8.122 0.010 443 HG21 ILE 54 HG21 ILE 54 -10.197 -4.974 0.323 444 HG22 ILE 54 HG22 ILE 54 -11.261 -6.150 -0.474 445 HG23 ILE 54 HG23 ILE 54 -10.649 -4.744 -1.376 446 HD11 ILE 54 HD11 ILE 54 -7.305 -8.275 -1.074 447 HD12 ILE 54 HD12 ILE 54 -7.187 -8.478 0.674 448 HD13 ILE 54 HD13 ILE 54 -6.717 -6.950 -0.069 449 H GLU 55 HN GLU 55 -8.559 -5.200 -3.732 450 HA GLU 55 HA GLU 55 -6.164 -6.723 -4.294 451 HB2 GLU 55 HB2 GLU 55 -8.164 -5.760 -6.309 452 HB3 GLU 55 HB1 GLU 55 -6.467 -5.856 -6.677 453 HG2 GLU 55 HG2 GLU 55 -6.465 -8.228 -6.386 454 HG3 GLU 55 HG1 GLU 55 -8.100 -8.188 -5.735 455 H VAL 56 HN VAL 56 -4.791 -5.281 -3.519 456 HA VAL 56 HA VAL 56 -5.272 -2.408 -3.965 457 HB VAL 56 HB VAL 56 -4.628 -2.218 -1.761 458 HG11 VAL 56 HG11 VAL 56 -3.600 -4.974 -2.029 459 HG12 VAL 56 HG12 VAL 56 -5.196 -4.489 -1.471 460 HG13 VAL 56 HG13 VAL 56 -3.769 -4.078 -0.524 461 HG21 VAL 56 HG21 VAL 56 -1.894 -3.265 -2.628 462 HG22 VAL 56 HG22 VAL 56 -2.240 -2.178 -1.288 463 HG23 VAL 56 HG23 VAL 56 -2.444 -1.624 -2.943 464 H THR 57 HN THR 57 -3.830 -1.274 -5.004 465 HA THR 57 HA THR 57 -1.146 -2.306 -5.283 466 HB THR 57 HB THR 57 -2.532 -1.291 -7.783 467 HG1 THR 57 HG1 THR 57 -2.710 -3.747 -6.623 468 HG21 THR 57 HG21 THR 57 0.053 -2.788 -7.365 469 HG22 THR 57 HG22 THR 57 -0.104 -1.077 -7.756 470 HG23 THR 57 HG23 THR 57 -0.605 -2.297 -8.926 471 H ILE 58 HN ILE 58 -0.195 -0.749 -4.328 472 HA ILE 58 HA ILE 58 -1.050 2.073 -4.679 473 HB ILE 58 HB ILE 58 0.003 0.391 -2.433 474 HG12 ILE 58 HG12 ILE 58 -1.480 1.903 -1.084 475 HG13 ILE 58 HG11 ILE 58 -1.926 2.714 -2.575 476 HG21 ILE 58 HG21 ILE 58 0.609 3.357 -2.577 477 HG22 ILE 58 HG22 ILE 58 1.788 2.045 -2.551 478 HG23 ILE 58 HG23 ILE 58 0.782 2.356 -1.136 479 HD11 ILE 58 HD11 ILE 58 -3.635 1.173 -2.025 480 HD12 ILE 58 HD12 ILE 58 -2.470 -0.126 -1.793 481 HD13 ILE 58 HD13 ILE 58 -2.763 0.516 -3.410 482 HA PRO 59 HA PRO 59 3.193 2.134 -6.617 483 HB2 PRO 59 HB2 PRO 59 1.883 4.224 -8.247 484 HB3 PRO 59 HB1 PRO 59 2.807 2.804 -8.767 485 HG2 PRO 59 HG2 PRO 59 0.158 2.931 -9.096 486 HG3 PRO 59 HG1 PRO 59 0.959 1.407 -8.659 487 HD2 PRO 59 HD2 PRO 59 -0.461 3.362 -6.884 488 HD3 PRO 59 HD1 PRO 59 -0.629 1.597 -6.946 489 H LEU 60 HN LEU 60 4.062 3.088 -4.808 490 HA LEU 60 HA LEU 60 3.824 5.948 -4.347 491 HB2 LEU 60 HB2 LEU 60 5.777 3.860 -3.345 492 HB3 LEU 60 HB1 LEU 60 5.763 5.517 -2.797 493 HG LEU 60 HG LEU 60 3.613 3.444 -2.350 494 HD11 LEU 60 HD11 LEU 60 5.466 4.863 -0.447 495 HD12 LEU 60 HD12 LEU 60 5.575 3.174 -0.942 496 HD13 LEU 60 HD13 LEU 60 4.194 3.729 0.003 497 HD21 LEU 60 HD21 LEU 60 3.676 6.348 -1.548 498 HD22 LEU 60 HD22 LEU 60 2.502 5.160 -0.983 499 HD23 LEU 60 HD23 LEU 60 2.563 5.596 -2.690 500 H LYS 61 HN LYS 61 6.309 7.014 -4.341 501 HA LYS 61 HA LYS 61 7.167 7.215 -6.999 502 HB2 LYS 61 HB2 LYS 61 9.012 7.340 -4.663 503 HB3 LYS 61 HB1 LYS 61 9.112 8.266 -6.154 504 HG2 LYS 61 HG2 LYS 61 7.096 9.534 -5.443 505 HG3 LYS 61 HG1 LYS 61 7.165 8.685 -3.896 506 HD2 LYS 61 HD2 LYS 61 9.375 10.389 -5.053 507 HD3 LYS 61 HD1 LYS 61 8.250 10.901 -3.801 508 HE2 LYS 61 HE2 LYS 61 9.106 9.276 -2.266 509 HE3 LYS 61 HE1 LYS 61 10.081 8.527 -3.528 510 HZ1 LYS 61 HZ1 LYS 61 11.412 10.519 -3.661 511 HZ2 LYS 61 HZ2 LYS 61 11.398 9.945 -2.070 512 HZ3 LYS 61 HZ3 LYS 61 10.463 11.286 -2.490 513 H ASN 62 HN ASN 62 8.509 5.542 -4.235 514 HA ASN 62 HA ASN 62 10.652 4.574 -5.779 515 HB2 ASN 62 HB2 ASN 62 10.010 4.715 -2.961 516 HB3 ASN 62 HB1 ASN 62 11.129 3.450 -3.419 517 HD21 ASN 62 HD21 ASN 62 10.923 6.477 -5.136 518 HD22 ASN 62 HD22 ASN 62 12.442 7.105 -4.608 519 H VAL 63 HN VAL 63 7.757 3.300 -4.399 520 HA VAL 63 HA VAL 63 8.398 0.603 -5.319 521 HB VAL 63 HB VAL 63 9.038 0.820 -2.965 522 HG11 VAL 63 HG11 VAL 63 7.358 2.560 -2.383 523 HG12 VAL 63 HG12 VAL 63 7.451 1.232 -1.223 524 HG13 VAL 63 HG13 VAL 63 6.127 1.294 -2.384 525 HG21 VAL 63 HG21 VAL 63 6.656 -0.961 -3.424 526 HG22 VAL 63 HG22 VAL 63 7.806 -1.126 -2.098 527 HG23 VAL 63 HG23 VAL 63 8.340 -1.356 -3.763 528 H THR 64 HN THR 64 6.613 -0.720 -5.662 529 HA THR 64 HA THR 64 3.962 0.581 -5.595 530 HB THR 64 HB THR 64 5.017 -1.239 -7.778 531 HG1 THR 64 HG1 THR 64 5.710 1.120 -7.593 532 HG21 THR 64 HG21 THR 64 2.624 -1.519 -7.436 533 HG22 THR 64 HG22 THR 64 2.923 -0.653 -8.941 534 HG23 THR 64 HG23 THR 64 2.389 0.225 -7.509 535 H LEU 65 HN LEU 65 2.902 -0.542 -3.983 536 HA LEU 65 HA LEU 65 3.428 -3.407 -3.742 537 HB2 LEU 65 HB2 LEU 65 1.897 -1.527 -1.951 538 HB3 LEU 65 HB1 LEU 65 1.820 -3.265 -1.789 539 HG LEU 65 HG LEU 65 4.443 -3.121 -1.736 540 HD11 LEU 65 HD11 LEU 65 4.652 -0.730 -2.112 541 HD12 LEU 65 HD12 LEU 65 5.281 -1.162 -0.513 542 HD13 LEU 65 HD13 LEU 65 3.688 -0.403 -0.671 543 HD21 LEU 65 HD21 LEU 65 3.003 -4.039 -0.008 544 HD22 LEU 65 HD22 LEU 65 2.735 -2.417 0.633 545 HD23 LEU 65 HD23 LEU 65 4.349 -3.130 0.677 546 H ARG 66 HN ARG 66 1.904 -4.959 -3.855 547 HA ARG 66 HA ARG 66 -0.826 -4.136 -4.463 548 HB2 ARG 66 HB2 ARG 66 0.187 -4.749 -6.476 549 HB3 ARG 66 HB1 ARG 66 0.811 -6.247 -5.849 550 HG2 ARG 66 HG2 ARG 66 -1.273 -7.260 -5.895 551 HG3 ARG 66 HG1 ARG 66 -2.132 -5.718 -5.902 552 HD2 ARG 66 HD2 ARG 66 -2.291 -6.727 -8.082 553 HD3 ARG 66 HD1 ARG 66 -1.276 -5.290 -8.167 554 HE ARG 66 HE ARG 66 0.199 -7.730 -7.785 555 HH11 ARG 66 HH11 ARG 66 -1.213 -5.555 -10.133 556 HH12 ARG 66 HH12 ARG 66 -0.229 -6.121 -11.443 557 HH21 ARG 66 HH21 ARG 66 1.509 -8.473 -9.513 558 HH22 ARG 66 HH22 ARG 66 1.313 -7.779 -11.092 559 H ALA 67 HN ALA 67 -2.342 -5.347 -3.538 560 HA ALA 67 HA ALA 67 -1.610 -7.966 -2.409 561 HB1 ALA 67 HB1 ALA 67 -2.514 -7.654 -0.235 562 HB2 ALA 67 HB2 ALA 67 -3.117 -6.048 -0.627 563 HB3 ALA 67 HB3 ALA 67 -1.383 -6.336 -0.518 564 H GLU 68 HN GLU 68 -2.896 -9.334 -3.295 565 HA GLU 68 HA GLU 68 -5.720 -8.594 -3.708 566 HB2 GLU 68 HB2 GLU 68 -5.618 -10.341 -5.559 567 HB3 GLU 68 HB1 GLU 68 -4.726 -8.854 -5.848 568 HG2 GLU 68 HG2 GLU 68 -2.653 -9.960 -5.219 569 HG3 GLU 68 HG1 GLU 68 -3.537 -11.453 -4.912 570 H GLU 69 HN GLU 69 -7.136 -9.757 -2.494 571 HA GLU 69 HA GLU 69 -6.716 -12.522 -1.873 572 HB2 GLU 69 HB2 GLU 69 -5.027 -11.530 -0.382 573 HB3 GLU 69 HB1 GLU 69 -6.264 -10.527 0.357 574 HG2 GLU 69 HG2 GLU 69 -5.698 -12.435 1.756 575 HG3 GLU 69 HG1 GLU 69 -7.378 -12.499 1.225 576 H ARG 70 HN ARG 70 -8.439 -13.473 -0.726 577 HA ARG 70 HA ARG 70 -10.816 -11.779 -0.416 578 HB2 ARG 70 HB2 ARG 70 -11.109 -13.780 -1.815 579 HB3 ARG 70 HB1 ARG 70 -10.571 -14.794 -0.481 580 HG2 ARG 70 HG2 ARG 70 -12.508 -13.951 0.845 581 HG3 ARG 70 HG1 ARG 70 -13.077 -13.134 -0.611 582 HD2 ARG 70 HD2 ARG 70 -14.198 -15.280 -0.304 583 HD3 ARG 70 HD1 ARG 70 -13.217 -15.277 -1.768 584 HE ARG 70 HE ARG 70 -11.777 -16.815 -0.799 585 HH11 ARG 70 HH11 ARG 70 -14.203 -15.789 1.509 586 HH12 ARG 70 HH12 ARG 70 -13.872 -17.073 2.626 587 HH21 ARG 70 HH21 ARG 70 -11.336 -18.510 0.674 588 HH22 ARG 70 HH22 ARG 70 -12.244 -18.622 2.149 589 H ASN 71 HN ASN 71 -10.910 -10.937 1.548 590 HA ASN 71 HA ASN 71 -10.511 -12.678 3.867 591 HB2 ASN 71 HB2 ASN 71 -8.385 -11.420 3.510 592 HB3 ASN 71 HB1 ASN 71 -9.274 -9.923 3.593 593 HD21 ASN 71 HD21 ASN 71 -7.753 -9.467 5.067 594 HD22 ASN 71 HD22 ASN 71 -7.958 -9.989 6.662 595 H ASP 72 HN ASP 72 -11.848 -12.200 5.578 596 HA ASP 72 HA ASP 72 -14.379 -11.358 5.130 597 HB2 ASP 72 HB2 ASP 72 -12.883 -11.032 7.738 598 HB3 ASP 72 HB1 ASP 72 -14.632 -11.078 7.559 599 H ASP 73 HN ASP 73 -11.877 -9.334 6.608 600 HA ASP 73 HA ASP 73 -13.510 -6.930 6.072 601 HB2 ASP 73 HB2 ASP 73 -11.361 -7.563 8.086 602 HB3 ASP 73 HB1 ASP 73 -11.747 -5.902 7.661 603 H LEU 74 HN LEU 74 -13.189 -6.193 4.337 604 HA LEU 74 HA LEU 74 -11.290 -5.574 2.659 605 HB2 LEU 74 HB2 LEU 74 -13.404 -4.495 2.646 606 HB3 LEU 74 HB1 LEU 74 -13.127 -3.922 4.293 607 HG LEU 74 HG LEU 74 -11.730 -2.165 3.567 608 HD11 LEU 74 HD11 LEU 74 -11.095 -1.891 1.169 609 HD12 LEU 74 HD12 LEU 74 -11.656 -3.544 0.900 610 HD13 LEU 74 HD13 LEU 74 -10.318 -3.231 2.014 611 HD21 LEU 74 HD21 LEU 74 -13.115 -0.954 1.938 612 HD22 LEU 74 HD22 LEU 74 -14.074 -1.717 3.206 613 HD23 LEU 74 HD23 LEU 74 -13.995 -2.445 1.602 614 H TYR 75 HN TYR 75 -11.616 -4.171 5.857 615 HA TYR 75 HA TYR 75 -9.640 -2.262 5.468 616 HB2 TYR 75 HB2 TYR 75 -11.074 -3.248 7.927 617 HB3 TYR 75 HB1 TYR 75 -9.749 -2.106 8.058 618 HD1 TYR 75 HD1 TYR 75 -12.731 -2.130 8.644 619 HD2 TYR 75 HD2 TYR 75 -10.242 -0.575 5.642 620 HE1 TYR 75 HE1 TYR 75 -14.262 -0.370 8.309 621 HE2 TYR 75 HE2 TYR 75 -11.759 1.194 5.270 622 HH TYR 75 HH TYR 75 -14.287 1.658 5.636 623 H ALA 76 HN ALA 76 -9.740 -5.504 6.443 624 HA ALA 76 HA ALA 76 -7.204 -5.655 7.800 625 HB1 ALA 76 HB1 ALA 76 -7.733 -7.972 8.047 626 HB2 ALA 76 HB2 ALA 76 -8.966 -7.863 6.785 627 HB3 ALA 76 HB3 ALA 76 -9.219 -7.056 8.338 628 H GLY 77 HN GLY 77 -8.650 -6.272 4.697 629 HA2 GLY 77 HA2 GLY 77 -6.458 -7.630 3.511 630 HA3 GLY 77 HA1 GLY 77 -7.768 -6.788 2.685 631 H ILE 78 HN ILE 78 -7.578 -4.262 3.287 632 HA ILE 78 HA ILE 78 -5.297 -3.337 2.007 633 HB ILE 78 HB ILE 78 -7.390 -1.869 3.629 634 HG12 ILE 78 HG12 ILE 78 -6.939 -2.223 0.660 635 HG13 ILE 78 HG11 ILE 78 -8.236 -2.933 1.615 636 HG21 ILE 78 HG21 ILE 78 -5.349 -0.541 3.626 637 HG22 ILE 78 HG22 ILE 78 -6.572 0.197 2.592 638 HG23 ILE 78 HG23 ILE 78 -5.233 -0.697 1.873 639 HD11 ILE 78 HD11 ILE 78 -7.834 -0.000 1.075 640 HD12 ILE 78 HD12 ILE 78 -9.130 -0.699 2.045 641 HD13 ILE 78 HD13 ILE 78 -9.033 -1.048 0.320 642 H ASP 79 HN ASP 79 -6.023 -3.912 5.425 643 HA ASP 79 HA ASP 79 -3.622 -2.661 6.485 644 HB2 ASP 79 HB2 ASP 79 -5.514 -3.148 7.971 645 HB3 ASP 79 HB1 ASP 79 -5.362 -4.867 7.624 646 H LEU 80 HN LEU 80 -4.425 -6.003 5.512 647 HA LEU 80 HA LEU 80 -1.925 -7.066 5.996 648 HB2 LEU 80 HB2 LEU 80 -3.775 -7.565 3.658 649 HB3 LEU 80 HB1 LEU 80 -2.314 -8.492 3.939 650 HG LEU 80 HG LEU 80 -4.707 -8.361 5.779 651 HD11 LEU 80 HD11 LEU 80 -5.141 -9.645 3.762 652 HD12 LEU 80 HD12 LEU 80 -5.002 -10.711 5.161 653 HD13 LEU 80 HD13 LEU 80 -3.665 -10.575 4.018 654 HD21 LEU 80 HD21 LEU 80 -2.138 -9.926 6.003 655 HD22 LEU 80 HD22 LEU 80 -3.553 -10.133 7.032 656 HD23 LEU 80 HD23 LEU 80 -2.663 -8.613 7.057 657 H ILE 81 HN ILE 81 -3.052 -5.376 3.036 658 HA ILE 81 HA ILE 81 -0.443 -5.178 2.012 659 HB ILE 81 HB ILE 81 -2.715 -4.752 0.829 660 HG12 ILE 81 HG12 ILE 81 -0.262 -4.721 0.005 661 HG13 ILE 81 HG11 ILE 81 -1.472 -3.925 -0.984 662 HG21 ILE 81 HG21 ILE 81 -3.347 -2.785 2.167 663 HG22 ILE 81 HG22 ILE 81 -3.248 -2.431 0.443 664 HG23 ILE 81 HG23 ILE 81 -1.950 -1.924 1.522 665 HD11 ILE 81 HD11 ILE 81 0.582 -2.679 0.806 666 HD12 ILE 81 HD12 ILE 81 -0.790 -1.776 0.166 667 HD13 ILE 81 HD13 ILE 81 0.385 -2.489 -0.935 668 H ASN 82 HN ASN 82 -2.189 -2.865 4.124 669 HA ASN 82 HA ASN 82 -0.282 -0.782 3.661 670 HB2 ASN 82 HB2 ASN 82 -2.666 -0.422 4.431 671 HB3 ASN 82 HB1 ASN 82 -2.164 -0.998 6.012 672 HD21 ASN 82 HD21 ASN 82 -1.052 0.318 7.358 673 HD22 ASN 82 HD22 ASN 82 -0.647 1.960 6.990 674 H ASN 83 HN ASN 83 -0.653 -3.300 5.958 675 HA ASN 83 HA ASN 83 1.325 -2.284 7.778 676 HB2 ASN 83 HB2 ASN 83 0.109 -3.575 9.147 677 HB3 ASN 83 HB1 ASN 83 -0.898 -4.009 7.746 678 HD21 ASN 83 HD21 ASN 83 -1.380 -6.012 8.404 679 HD22 ASN 83 HD22 ASN 83 -0.241 -7.307 8.570 680 H LYS 84 HN LYS 84 1.025 -4.921 5.406 681 HA LYS 84 HA LYS 84 3.790 -5.625 5.423 682 HB2 LYS 84 HB2 LYS 84 1.677 -5.862 3.286 683 HB3 LYS 84 HB1 LYS 84 3.337 -6.366 3.014 684 HG2 LYS 84 HG2 LYS 84 3.139 -7.968 4.864 685 HG3 LYS 84 HG1 LYS 84 1.457 -7.476 5.089 686 HD2 LYS 84 HD2 LYS 84 0.970 -8.163 2.773 687 HD3 LYS 84 HD1 LYS 84 2.639 -8.700 2.594 688 HE2 LYS 84 HE2 LYS 84 0.650 -9.786 4.583 689 HE3 LYS 84 HE1 LYS 84 1.098 -10.556 3.063 690 HZ1 LYS 84 HZ1 LYS 84 3.376 -10.729 3.873 691 HZ2 LYS 84 HZ2 LYS 84 2.298 -11.520 4.907 692 HZ3 LYS 84 HZ3 LYS 84 2.924 -10.013 5.338 693 H LEU 85 HN LEU 85 1.991 -3.024 4.041 694 HA LEU 85 HA LEU 85 3.912 -2.073 2.208 695 HB2 LEU 85 HB2 LEU 85 1.550 -1.359 2.180 696 HB3 LEU 85 HB1 LEU 85 1.780 -0.549 3.713 697 HG LEU 85 HG LEU 85 3.508 0.293 1.440 698 HD11 LEU 85 HD11 LEU 85 1.778 1.810 0.628 699 HD12 LEU 85 HD12 LEU 85 0.615 1.088 1.739 700 HD13 LEU 85 HD13 LEU 85 1.291 0.127 0.424 701 HD21 LEU 85 HD21 LEU 85 3.792 1.279 3.658 702 HD22 LEU 85 HD22 LEU 85 2.096 1.761 3.666 703 HD23 LEU 85 HD23 LEU 85 3.212 2.477 2.503 704 H GLU 86 HN GLU 86 3.077 -1.010 5.492 705 HA GLU 86 HA GLU 86 5.158 0.691 5.995 706 HB2 GLU 86 HB2 GLU 86 3.309 0.092 7.560 707 HB3 GLU 86 HB1 GLU 86 4.096 -1.448 7.859 708 HG2 GLU 86 HG2 GLU 86 4.548 0.077 9.662 709 HG3 GLU 86 HG1 GLU 86 6.035 -0.270 8.781 710 H ARG 87 HN ARG 87 5.073 -2.834 6.451 711 HA ARG 87 HA ARG 87 7.714 -3.217 7.195 712 HB2 ARG 87 HB2 ARG 87 5.768 -4.921 5.867 713 HB3 ARG 87 HB1 ARG 87 7.370 -5.526 6.170 714 HG2 ARG 87 HG2 ARG 87 7.038 -5.136 8.560 715 HG3 ARG 87 HG1 ARG 87 5.410 -4.536 8.233 716 HD2 ARG 87 HD2 ARG 87 5.456 -6.901 8.983 717 HD3 ARG 87 HD1 ARG 87 4.730 -6.685 7.389 718 HE ARG 87 HE ARG 87 7.475 -7.237 7.102 719 HH11 ARG 87 HH11 ARG 87 4.521 -8.844 8.076 720 HH12 ARG 87 HH12 ARG 87 5.038 -10.401 7.509 721 HH21 ARG 87 HH21 ARG 87 8.155 -9.279 6.360 722 HH22 ARG 87 HH22 ARG 87 7.102 -10.647 6.533 723 H GLN 88 HN GLN 88 6.392 -3.003 3.926 724 HA GLN 88 HA GLN 88 8.833 -4.119 2.780 725 HB2 GLN 88 HB2 GLN 88 6.081 -3.728 1.919 726 HB3 GLN 88 HB1 GLN 88 7.244 -3.274 0.692 727 HG2 GLN 88 HG2 GLN 88 8.281 -5.516 0.924 728 HG3 GLN 88 HG1 GLN 88 6.998 -5.947 2.054 729 HE21 GLN 88 HE21 GLN 88 6.207 -7.584 0.768 730 HE22 GLN 88 HE22 GLN 88 5.355 -7.285 -0.706 731 H VAL 89 HN VAL 89 6.802 -1.341 2.523 732 HA VAL 89 HA VAL 89 8.263 0.363 1.038 733 HB VAL 89 HB VAL 89 6.335 0.690 3.249 734 HG11 VAL 89 HG11 VAL 89 7.808 3.030 1.987 735 HG12 VAL 89 HG12 VAL 89 7.921 2.527 3.674 736 HG13 VAL 89 HG13 VAL 89 6.400 3.157 3.041 737 HG21 VAL 89 HG21 VAL 89 5.579 0.211 0.990 738 HG22 VAL 89 HG22 VAL 89 6.403 1.647 0.387 739 HG23 VAL 89 HG23 VAL 89 5.043 1.812 1.496 740 H ARG 90 HN ARG 90 8.485 -0.098 4.532 741 HA ARG 90 HA ARG 90 10.687 1.759 4.662 742 HB2 ARG 90 HB2 ARG 90 10.944 1.307 6.964 743 HB3 ARG 90 HB1 ARG 90 9.218 1.420 6.630 744 HG2 ARG 90 HG2 ARG 90 9.164 -1.087 6.602 745 HG3 ARG 90 HG1 ARG 90 10.838 -1.059 7.168 746 HD2 ARG 90 HD2 ARG 90 8.448 0.148 8.560 747 HD3 ARG 90 HD1 ARG 90 9.318 -1.307 9.047 748 HE ARG 90 HE ARG 90 11.267 0.166 9.438 749 HH11 ARG 90 HH11 ARG 90 8.073 1.634 9.340 750 HH12 ARG 90 HH12 ARG 90 8.521 2.940 10.390 751 HH21 ARG 90 HH21 ARG 90 11.842 1.896 10.789 752 HH22 ARG 90 HH22 ARG 90 10.663 3.102 11.196 753 H LYS 91 HN LYS 91 10.472 -1.792 4.544 754 HA LYS 91 HA LYS 91 13.160 -2.297 4.984 755 HB2 LYS 91 HB2 LYS 91 11.543 -4.043 4.926 756 HB3 LYS 91 HB1 LYS 91 11.345 -3.692 3.253 757 HG2 LYS 91 HG2 LYS 91 13.553 -4.442 2.714 758 HG3 LYS 91 HG1 LYS 91 13.896 -4.668 4.430 759 HD2 LYS 91 HD2 LYS 91 11.760 -6.160 2.906 760 HD3 LYS 91 HD1 LYS 91 13.381 -6.783 3.216 761 HE2 LYS 91 HE2 LYS 91 12.973 -6.617 5.628 762 HE3 LYS 91 HE1 LYS 91 11.353 -6.004 5.310 763 HZ1 LYS 91 HZ1 LYS 91 12.360 -8.676 4.507 764 HZ2 LYS 91 HZ2 LYS 91 10.797 -8.091 4.252 765 HZ3 LYS 91 HZ3 LYS 91 11.348 -8.368 5.825 766 H TYR 92 HN TYR 92 11.419 -1.493 2.112 767 HA TYR 92 HA TYR 92 13.614 -1.701 0.317 768 HB2 TYR 92 HB2 TYR 92 11.132 -1.766 -0.264 769 HB3 TYR 92 HB1 TYR 92 11.141 -0.017 -0.083 770 HD1 TYR 92 HD1 TYR 92 11.882 1.382 -1.844 771 HD2 TYR 92 HD2 TYR 92 12.610 -2.807 -2.025 772 HE1 TYR 92 HE1 TYR 92 12.608 1.613 -4.183 773 HE2 TYR 92 HE2 TYR 92 13.341 -2.585 -4.360 774 HH TYR 92 HH TYR 92 14.001 0.419 -5.812 775 H LYS 93 HN LYS 93 11.912 1.183 1.600 776 HA LYS 93 HA LYS 93 13.691 3.000 0.379 777 HB2 LYS 93 HB2 LYS 93 12.379 4.645 1.234 778 HB3 LYS 93 HB1 LYS 93 11.284 3.309 1.554 779 HG2 LYS 93 HG2 LYS 93 12.037 3.186 3.847 780 HG3 LYS 93 HG1 LYS 93 13.261 4.408 3.540 781 HD2 LYS 93 HD2 LYS 93 10.286 4.854 3.327 782 HD3 LYS 93 HD1 LYS 93 11.292 5.325 4.698 783 HE2 LYS 93 HE2 LYS 93 12.691 6.579 2.900 784 HE3 LYS 93 HE1 LYS 93 11.236 6.433 1.919 785 HZ1 LYS 93 HZ1 LYS 93 11.235 8.517 3.088 786 HZ2 LYS 93 HZ2 LYS 93 11.440 7.738 4.574 787 HZ3 LYS 93 HZ3 LYS 93 10.003 7.538 3.712 788 H THR 94 HN THR 94 13.651 1.504 3.581 789 HA THR 94 HA THR 94 15.735 3.158 4.567 790 HB THR 94 HB THR 94 14.422 0.663 5.626 791 HG1 THR 94 HG1 THR 94 14.537 3.403 6.392 792 HG21 THR 94 HG21 THR 94 16.692 2.167 6.949 793 HG22 THR 94 HG22 THR 94 16.809 0.545 6.269 794 HG23 THR 94 HG23 THR 94 15.763 0.845 7.656 795 H ARG 95 HN ARG 95 15.631 -0.123 3.140 796 HA ARG 95 HA ARG 95 18.395 -0.634 3.397 797 HB2 ARG 95 HB2 ARG 95 16.807 -2.386 2.747 798 HB3 ARG 95 HB1 ARG 95 16.501 -1.556 1.227 799 HG2 ARG 95 HG2 ARG 95 18.828 -1.898 0.568 800 HG3 ARG 95 HG1 ARG 95 19.137 -2.727 2.094 801 HD2 ARG 95 HD2 ARG 95 17.508 -4.443 1.496 802 HD3 ARG 95 HD1 ARG 95 17.172 -3.607 -0.018 803 HE ARG 95 HE ARG 95 19.841 -4.016 -0.130 804 HH11 ARG 95 HH11 ARG 95 17.142 -6.162 0.495 805 HH12 ARG 95 HH12 ARG 95 17.915 -7.540 -0.219 806 HH21 ARG 95 HH21 ARG 95 20.860 -5.827 -1.047 807 HH22 ARG 95 HH22 ARG 95 20.033 -7.351 -1.096 808 H ILE 96 HN ILE 96 16.524 0.987 0.865 809 HA ILE 96 HA ILE 96 18.762 1.447 -0.832 810 HB ILE 96 HB ILE 96 15.931 2.334 -0.769 811 HG12 ILE 96 HG12 ILE 96 16.029 1.585 -3.131 812 HG13 ILE 96 HG11 ILE 96 17.748 1.270 -2.940 813 HG21 ILE 96 HG21 ILE 96 17.019 4.470 -1.112 814 HG22 ILE 96 HG22 ILE 96 16.254 3.931 -2.607 815 HG23 ILE 96 HG23 ILE 96 17.999 3.786 -2.407 816 HD11 ILE 96 HD11 ILE 96 16.460 -0.776 -2.813 817 HD12 ILE 96 HD12 ILE 96 15.525 -0.120 -1.468 818 HD13 ILE 96 HD13 ILE 96 17.250 -0.438 -1.272 819 H ASN 97 HN ASN 97 17.412 3.201 1.874 820 HA ASN 97 HA ASN 97 19.100 5.515 1.294 821 HB2 ASN 97 HB2 ASN 97 16.670 5.707 2.062 822 HB3 ASN 97 HB1 ASN 97 17.241 5.201 3.646 823 HD21 ASN 97 HD21 ASN 97 18.904 7.283 1.338 824 HD22 ASN 97 HD22 ASN 97 18.900 8.691 2.340 825 H ARG 98 HN ARG 98 19.275 2.635 2.956 826 HA ARG 98 HA ARG 98 20.436 2.977 5.348 827 HB2 ARG 98 HB2 ARG 98 20.041 0.804 4.394 828 HB3 ARG 98 HB1 ARG 98 21.289 1.062 3.185 829 HG2 ARG 98 HG2 ARG 98 22.976 1.125 4.975 830 HG3 ARG 98 HG1 ARG 98 21.706 0.779 6.151 831 HD2 ARG 98 HD2 ARG 98 22.981 -1.232 5.440 832 HD3 ARG 98 HD1 ARG 98 21.249 -1.339 5.123 833 HE ARG 98 HE ARG 98 22.695 -0.327 2.874 834 HH11 ARG 98 HH11 ARG 98 21.843 -3.274 4.561 835 HH12 ARG 98 HH12 ARG 98 21.971 -4.265 3.143 836 HH21 ARG 98 HH21 ARG 98 22.851 -1.584 1.027 837 HH22 ARG 98 HH22 ARG 98 22.577 -3.302 1.114 838 H LYS 99 HN LYS 99 22.661 2.565 2.520 839 HA LYS 99 HA LYS 99 24.613 4.008 4.145 840 HB2 LYS 99 HB2 LYS 99 25.262 1.827 3.211 841 HB3 LYS 99 HB1 LYS 99 25.031 2.458 1.590 842 HG2 LYS 99 HG2 LYS 99 27.378 2.403 2.145 843 HG3 LYS 99 HG1 LYS 99 26.840 4.072 1.967 844 HD2 LYS 99 HD2 LYS 99 26.815 2.858 4.687 845 HD3 LYS 99 HD1 LYS 99 28.370 3.307 3.988 846 HE2 LYS 99 HE2 LYS 99 27.629 5.587 3.705 847 HE3 LYS 99 HE1 LYS 99 26.011 5.172 4.252 848 HZ1 LYS 99 HZ1 LYS 99 27.015 4.547 6.411 849 HZ2 LYS 99 HZ2 LYS 99 27.170 6.188 6.039 850 HZ3 LYS 99 HZ3 LYS 99 28.498 5.153 5.864 851 H SER 100 HN SER 100 24.276 3.928 0.608 852 HA SER 100 HA SER 100 24.143 6.865 0.675 853 HB2 SER 100 HB2 SER 100 25.392 5.142 -1.476 854 HB3 SER 100 HB1 SER 100 25.318 6.904 -1.475 855 HG SER 100 HG SER 100 26.366 5.995 0.839 856 H ARG 101 HN ARG 101 23.723 4.656 -2.026 857 HA ARG 101 HA ARG 101 20.893 5.437 -2.206 858 HB2 ARG 101 HB2 ARG 101 22.784 4.943 -4.515 859 HB3 ARG 101 HB1 ARG 101 21.083 5.359 -4.649 860 HG2 ARG 101 HG2 ARG 101 21.614 7.501 -3.455 861 HG3 ARG 101 HG1 ARG 101 23.320 7.082 -3.618 862 HD2 ARG 101 HD2 ARG 101 22.744 8.547 -5.415 863 HD3 ARG 101 HD1 ARG 101 22.973 6.932 -6.082 864 HE ARG 101 HE ARG 101 20.382 6.867 -5.784 865 HH11 ARG 101 HH11 ARG 101 22.326 9.564 -6.887 866 HH12 ARG 101 HH12 ARG 101 21.052 10.260 -7.834 867 HH21 ARG 101 HH21 ARG 101 18.703 7.787 -7.027 868 HH22 ARG 101 HH22 ARG 101 18.989 9.260 -7.898 869 H ASP 102 HN ASP 102 23.305 2.975 -2.399 870 HA ASP 102 HA ASP 102 23.225 0.721 -2.301 871 HB2 ASP 102 HB2 ASP 102 20.690 1.468 -0.857 872 HB3 ASP 102 HB1 ASP 102 21.275 -0.189 -0.942 873 H ARG 103 HN ARG 103 22.959 0.938 -4.699 874 HA ARG 103 HA ARG 103 20.398 0.159 -5.771 875 HB2 ARG 103 HB2 ARG 103 23.113 0.566 -7.018 876 HB3 ARG 103 HB1 ARG 103 21.711 0.027 -7.933 877 HG2 ARG 103 HG2 ARG 103 20.535 2.058 -7.436 878 HG3 ARG 103 HG1 ARG 103 21.833 2.590 -6.364 879 HD2 ARG 103 HD2 ARG 103 23.353 2.774 -8.209 880 HD3 ARG 103 HD1 ARG 103 22.179 2.052 -9.307 881 HE ARG 103 HE ARG 103 20.785 4.068 -8.868 882 HH11 ARG 103 HH11 ARG 103 24.247 4.210 -8.362 883 HH12 ARG 103 HH12 ARG 103 24.359 5.902 -8.720 884 HH21 ARG 103 HH21 ARG 103 20.923 6.295 -9.346 885 HH22 ARG 103 HH22 ARG 103 22.462 7.097 -9.274 886 H GLY 104 HN GLY 104 23.623 -1.347 -5.531 887 HA2 GLY 104 HA2 GLY 104 22.254 -3.949 -5.846 888 HA3 GLY 104 HA1 GLY 104 23.887 -3.635 -6.414 889 H ASP 105 HN ASP 105 23.546 -5.780 -4.881 890 HA ASP 105 HA ASP 105 24.191 -5.103 -2.121 891 HB2 ASP 105 HB2 ASP 105 22.679 -6.975 -2.483 892 HB3 ASP 105 HB1 ASP 105 23.858 -7.766 -3.524 893 H GLN 106 HN GLN 106 25.722 -5.687 -5.053 894 HA GLN 106 HA GLN 106 28.110 -6.941 -4.154 895 HB2 GLN 106 HB2 GLN 106 27.270 -7.062 -6.466 896 HB3 GLN 106 HB1 GLN 106 27.556 -5.341 -6.654 897 HG2 GLN 106 HG2 GLN 106 29.954 -5.718 -6.320 898 HG3 GLN 106 HG1 GLN 106 29.647 -7.449 -6.182 899 HE21 GLN 106 HE21 GLN 106 27.889 -5.390 -8.373 900 HE22 GLN 106 HE22 GLN 106 28.572 -6.024 -9.827 901 H GLU 107 HN GLU 107 27.046 -3.630 -4.437 902 HA GLU 107 HA GLU 107 29.698 -2.533 -4.224 903 HB2 GLU 107 HB2 GLU 107 28.463 -0.343 -4.095 904 HB3 GLU 107 HB1 GLU 107 28.172 -1.289 -5.544 905 HG2 GLU 107 HG2 GLU 107 26.070 -2.124 -4.455 906 HG3 GLU 107 HG1 GLU 107 26.345 -0.928 -3.188 907 H VAL 108 HN VAL 108 30.077 -3.812 -2.216 908 HA VAL 108 HA VAL 108 28.939 -2.643 0.200 909 HB VAL 108 HB VAL 108 30.288 -4.342 1.406 910 HG11 VAL 108 HG11 VAL 108 27.998 -4.839 0.760 911 HG12 VAL 108 HG12 VAL 108 28.997 -6.289 0.652 912 HG13 VAL 108 HG13 VAL 108 28.549 -5.415 -0.813 913 HG21 VAL 108 HG21 VAL 108 31.392 -6.124 0.133 914 HG22 VAL 108 HG22 VAL 108 32.135 -4.553 -0.170 915 HG23 VAL 108 HG23 VAL 108 31.049 -5.260 -1.366 916 H PHE 109 HN PHE 109 31.077 -1.497 -1.794 917 HA PHE 109 HA PHE 109 32.910 -0.568 0.314 918 HB2 PHE 109 HB2 PHE 109 33.496 -0.836 -2.645 919 HB3 PHE 109 HB1 PHE 109 34.616 -0.253 -1.420 920 HD1 PHE 109 HD1 PHE 109 33.529 -3.063 -3.239 921 HD2 PHE 109 HD2 PHE 109 35.100 -1.898 0.539 922 HE1 PHE 109 HE1 PHE 109 34.295 -5.367 -2.855 923 HE2 PHE 109 HE2 PHE 109 35.872 -4.201 0.930 924 HZ PHE 109 HZ PHE 109 35.471 -5.939 -0.766 925 H VAL 110 HN VAL 110 32.831 1.534 0.742 926 HA VAL 110 HA VAL 110 31.779 3.363 -1.306 927 HB VAL 110 HB VAL 110 31.006 3.418 1.622 928 HG11 VAL 110 HG11 VAL 110 29.517 5.254 0.980 929 HG12 VAL 110 HG12 VAL 110 30.173 5.206 -0.657 930 HG13 VAL 110 HG13 VAL 110 31.211 5.656 0.696 931 HG21 VAL 110 HG21 VAL 110 29.380 2.750 -0.829 932 HG22 VAL 110 HG22 VAL 110 28.728 2.961 0.795 933 HG23 VAL 110 HG23 VAL 110 29.846 1.640 0.460 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 3.355 13.486 -6.721 2 H2 MET 1 HT2 MET 1 2.747 15.050 -6.941 3 H3 MET 1 HT3 MET 1 1.854 13.715 -7.464 4 HA MET 1 HA MET 1 2.514 14.343 -4.652 5 HB2 MET 1 HB2 MET 1 0.032 14.731 -6.310 6 HB3 MET 1 HB1 MET 1 -0.046 14.599 -4.560 7 HG2 MET 1 HG2 MET 1 -0.046 16.909 -5.205 8 HG3 MET 1 HG1 MET 1 1.451 16.531 -4.361 9 HE1 MET 1 HE1 MET 1 0.996 19.170 -6.063 10 HE2 MET 1 HE2 MET 1 2.517 19.281 -6.949 11 HE3 MET 1 HE3 MET 1 2.518 18.811 -5.249 12 H ILE 2 HN ILE 2 0.649 13.141 -3.328 13 HA ILE 2 HA ILE 2 0.758 10.325 -4.173 14 HB ILE 2 HB ILE 2 1.886 10.518 -2.106 15 HG12 ILE 2 HG12 ILE 2 -0.945 9.688 -1.431 16 HG13 ILE 2 HG11 ILE 2 0.258 8.658 -2.198 17 HG21 ILE 2 HG21 ILE 2 -0.413 12.187 -1.108 18 HG22 ILE 2 HG22 ILE 2 1.221 12.742 -1.473 19 HG23 ILE 2 HG23 ILE 2 0.946 11.639 -0.126 20 HD11 ILE 2 HD11 ILE 2 0.057 8.166 0.169 21 HD12 ILE 2 HD12 ILE 2 0.446 9.840 0.564 22 HD13 ILE 2 HD13 ILE 2 1.657 8.810 -0.201 23 H ARG 3 HN ARG 3 -1.090 9.471 -4.861 24 HA ARG 3 HA ARG 3 -3.631 10.578 -3.944 25 HB2 ARG 3 HB2 ARG 3 -4.252 9.911 -6.396 26 HB3 ARG 3 HB1 ARG 3 -3.572 11.486 -6.049 27 HG2 ARG 3 HG2 ARG 3 -1.398 10.714 -6.764 28 HG3 ARG 3 HG1 ARG 3 -2.025 9.082 -6.997 29 HD2 ARG 3 HD2 ARG 3 -1.834 10.294 -9.117 30 HD3 ARG 3 HD1 ARG 3 -3.509 9.882 -8.746 31 HE ARG 3 HE ARG 3 -3.134 12.411 -7.741 32 HH11 ARG 3 HH11 ARG 3 -2.882 10.870 -10.872 33 HH12 ARG 3 HH12 ARG 3 -3.297 12.308 -11.752 34 HH21 ARG 3 HH21 ARG 3 -3.694 14.299 -8.889 35 HH22 ARG 3 HH22 ARG 3 -3.753 14.258 -10.622 36 H PHE 4 HN PHE 4 -5.367 9.120 -3.917 37 HA PHE 4 HA PHE 4 -4.644 6.298 -4.245 38 HB2 PHE 4 HB2 PHE 4 -6.360 5.815 -2.525 39 HB3 PHE 4 HB1 PHE 4 -5.055 6.833 -1.936 40 HD1 PHE 4 HD1 PHE 4 -5.433 9.255 -1.582 41 HD2 PHE 4 HD2 PHE 4 -8.602 6.577 -2.508 42 HE1 PHE 4 HE1 PHE 4 -7.060 10.900 -0.757 43 HE2 PHE 4 HE2 PHE 4 -10.236 8.220 -1.693 44 HZ PHE 4 HZ PHE 4 -9.466 10.384 -0.815 45 H GLU 5 HN GLU 5 -5.899 5.022 -5.475 46 HA GLU 5 HA GLU 5 -8.310 6.152 -6.713 47 HB2 GLU 5 HB2 GLU 5 -6.372 4.407 -8.202 48 HB3 GLU 5 HB1 GLU 5 -7.591 5.476 -8.838 49 HG2 GLU 5 HG2 GLU 5 -6.268 7.398 -8.396 50 HG3 GLU 5 HG1 GLU 5 -5.107 6.441 -7.471 51 H ILE 6 HN ILE 6 -9.760 4.902 -5.717 52 HA ILE 6 HA ILE 6 -9.235 2.031 -5.568 53 HB ILE 6 HB ILE 6 -11.421 3.764 -4.425 54 HG12 ILE 6 HG12 ILE 6 -10.351 2.607 -2.274 55 HG13 ILE 6 HG11 ILE 6 -8.947 2.529 -3.333 56 HG21 ILE 6 HG21 ILE 6 -12.318 1.508 -5.056 57 HG22 ILE 6 HG22 ILE 6 -12.329 1.777 -3.313 58 HG23 ILE 6 HG23 ILE 6 -11.081 0.768 -4.039 59 HD11 ILE 6 HD11 ILE 6 -10.441 4.979 -2.441 60 HD12 ILE 6 HD12 ILE 6 -9.200 4.985 -3.698 61 HD13 ILE 6 HD13 ILE 6 -8.783 4.513 -2.052 62 H HIS 7 HN HIS 7 -10.211 0.646 -6.775 63 HA HIS 7 HA HIS 7 -12.604 1.435 -8.348 64 HB2 HIS 7 HB2 HIS 7 -10.351 -0.418 -8.996 65 HB3 HIS 7 HB1 HIS 7 -11.950 -0.704 -9.660 66 HD1 HIS 7 HD1 HIS 7 -12.317 0.334 -11.872 67 HD2 HIS 7 HD2 HIS 7 -9.457 2.391 -9.672 68 HE1 HIS 7 HE1 HIS 7 -11.464 2.141 -13.397 69 HE2 HIS 7 HE2 HIS 7 -9.898 3.500 -11.966 70 H GLY 8 HN GLY 8 -14.126 0.752 -6.815 71 HA2 GLY 8 HA2 GLY 8 -13.572 -1.905 -5.832 72 HA3 GLY 8 HA1 GLY 8 -14.678 -0.784 -5.041 73 H ASP 9 HN ASP 9 -14.693 -3.619 -6.559 74 HA ASP 9 HA ASP 9 -17.114 -3.129 -8.153 75 HB2 ASP 9 HB2 ASP 9 -15.120 -5.394 -8.172 76 HB3 ASP 9 HB1 ASP 9 -16.682 -5.511 -8.973 77 H ASN 10 HN ASN 10 -18.932 -4.463 -7.889 78 HA ASN 10 HA ASN 10 -20.527 -5.626 -6.773 79 HB2 ASN 10 HB2 ASN 10 -18.204 -6.723 -5.182 80 HB3 ASN 10 HB1 ASN 10 -19.868 -7.267 -5.007 81 HD21 ASN 10 HD21 ASN 10 -20.491 -7.083 -7.821 82 HD22 ASN 10 HD22 ASN 10 -19.671 -8.395 -8.589 83 H LEU 11 HN LEU 11 -18.105 -4.396 -4.499 84 HA LEU 11 HA LEU 11 -20.209 -3.408 -2.746 85 HB2 LEU 11 HB2 LEU 11 -18.224 -4.439 -1.742 86 HB3 LEU 11 HB1 LEU 11 -17.198 -3.261 -2.534 87 HG LEU 11 HG LEU 11 -18.324 -1.469 -1.209 88 HD11 LEU 11 HD11 LEU 11 -19.614 -2.137 0.768 89 HD12 LEU 11 HD12 LEU 11 -19.573 -3.812 0.214 90 HD13 LEU 11 HD13 LEU 11 -20.418 -2.588 -0.736 91 HD21 LEU 11 HD21 LEU 11 -17.170 -1.976 0.881 92 HD22 LEU 11 HD22 LEU 11 -16.179 -2.401 -0.515 93 HD23 LEU 11 HD23 LEU 11 -17.013 -3.662 0.391 94 H THR 12 HN THR 12 -21.153 -1.625 -3.504 95 HA THR 12 HA THR 12 -19.760 0.382 -4.982 96 HB THR 12 HB THR 12 -21.860 1.733 -4.600 97 HG1 THR 12 HG1 THR 12 -22.304 -0.352 -2.849 98 HG21 THR 12 HG21 THR 12 -23.268 0.314 -6.027 99 HG22 THR 12 HG22 THR 12 -22.209 -1.058 -5.701 100 HG23 THR 12 HG23 THR 12 -21.595 0.339 -6.585 101 H ILE 13 HN ILE 13 -17.982 0.765 -3.556 102 HA ILE 13 HA ILE 13 -18.179 1.490 -0.888 103 HB ILE 13 HB ILE 13 -15.948 2.710 -1.295 104 HG12 ILE 13 HG12 ILE 13 -14.857 1.643 -3.431 105 HG13 ILE 13 HG11 ILE 13 -16.511 1.587 -4.020 106 HG21 ILE 13 HG21 ILE 13 -16.252 -0.226 -1.886 107 HG22 ILE 13 HG22 ILE 13 -16.119 0.523 -0.295 108 HG23 ILE 13 HG23 ILE 13 -14.752 0.569 -1.409 109 HD11 ILE 13 HD11 ILE 13 -15.031 4.056 -3.151 110 HD12 ILE 13 HD12 ILE 13 -16.691 4.003 -3.746 111 HD13 ILE 13 HD13 ILE 13 -15.356 3.564 -4.813 112 H THR 14 HN THR 14 -18.607 3.274 0.205 113 HA THR 14 HA THR 14 -19.560 5.556 -1.361 114 HB THR 14 HB THR 14 -20.677 6.202 0.828 115 HG1 THR 14 HG1 THR 14 -20.547 3.546 1.644 116 HG21 THR 14 HG21 THR 14 -21.870 5.156 -1.058 117 HG22 THR 14 HG22 THR 14 -22.525 4.658 0.502 118 HG23 THR 14 HG23 THR 14 -21.478 3.565 -0.405 119 H ASP 15 HN ASP 15 -19.471 7.650 0.244 120 HA ASP 15 HA ASP 15 -16.781 8.439 0.182 121 HB2 ASP 15 HB2 ASP 15 -18.731 9.997 0.095 122 HB3 ASP 15 HB1 ASP 15 -18.985 9.709 1.815 123 H ALA 16 HN ALA 16 -18.659 6.871 2.605 124 HA ALA 16 HA ALA 16 -17.383 7.318 4.981 125 HB1 ALA 16 HB1 ALA 16 -18.230 4.628 3.918 126 HB2 ALA 16 HB2 ALA 16 -19.315 5.822 4.644 127 HB3 ALA 16 HB3 ALA 16 -18.045 5.076 5.616 128 H ILE 17 HN ILE 17 -16.578 4.582 2.886 129 HA ILE 17 HA ILE 17 -14.139 3.997 4.226 130 HB ILE 17 HB ILE 17 -15.289 3.091 1.607 131 HG12 ILE 17 HG12 ILE 17 -15.345 0.873 2.946 132 HG13 ILE 17 HG11 ILE 17 -15.035 1.879 4.362 133 HG21 ILE 17 HG21 ILE 17 -12.767 2.103 2.933 134 HG22 ILE 17 HG22 ILE 17 -12.874 2.991 1.413 135 HG23 ILE 17 HG23 ILE 17 -13.544 1.362 1.533 136 HD11 ILE 17 HD11 ILE 17 -17.393 2.206 2.524 137 HD12 ILE 17 HD12 ILE 17 -17.104 3.038 4.052 138 HD13 ILE 17 HD13 ILE 17 -17.413 1.303 4.038 139 H ARG 18 HN ARG 18 -15.012 5.655 1.250 140 HA ARG 18 HA ARG 18 -12.481 5.911 0.184 141 HB2 ARG 18 HB2 ARG 18 -14.823 7.823 0.037 142 HB3 ARG 18 HB1 ARG 18 -13.370 7.994 -0.935 143 HG2 ARG 18 HG2 ARG 18 -13.804 5.915 -2.052 144 HG3 ARG 18 HG1 ARG 18 -15.168 5.581 -0.982 145 HD2 ARG 18 HD2 ARG 18 -15.963 6.393 -3.125 146 HD3 ARG 18 HD1 ARG 18 -16.324 7.561 -1.857 147 HE ARG 18 HE ARG 18 -13.863 8.216 -3.066 148 HH11 ARG 18 HH11 ARG 18 -17.301 8.226 -3.731 149 HH12 ARG 18 HH12 ARG 18 -17.203 9.530 -4.872 150 HH21 ARG 18 HH21 ARG 18 -13.736 9.938 -4.569 151 HH22 ARG 18 HH22 ARG 18 -15.184 10.507 -5.338 152 H ASN 19 HN ASN 19 -14.262 7.952 2.446 153 HA ASN 19 HA ASN 19 -12.263 9.813 3.065 154 HB2 ASN 19 HB2 ASN 19 -14.575 10.129 3.774 155 HB3 ASN 19 HB1 ASN 19 -14.488 8.697 4.789 156 HD21 ASN 19 HD21 ASN 19 -13.585 12.019 4.440 157 HD22 ASN 19 HD22 ASN 19 -13.041 12.252 6.064 158 H TYR 20 HN TYR 20 -13.095 6.709 4.598 159 HA TYR 20 HA TYR 20 -11.230 6.639 6.644 160 HB2 TYR 20 HB2 TYR 20 -13.105 4.913 5.805 161 HB3 TYR 20 HB1 TYR 20 -11.705 4.134 5.084 162 HD1 TYR 20 HD1 TYR 20 -13.692 3.322 7.427 163 HD2 TYR 20 HD2 TYR 20 -9.693 4.758 7.266 164 HE1 TYR 20 HE1 TYR 20 -13.216 2.221 9.573 165 HE2 TYR 20 HE2 TYR 20 -9.208 3.657 9.407 166 HH TYR 20 HH TYR 20 -11.343 1.397 10.847 167 H ILE 21 HN ILE 21 -10.795 6.068 3.219 168 HA ILE 21 HA ILE 21 -8.155 4.889 3.542 169 HB ILE 21 HB ILE 21 -9.775 5.674 1.125 170 HG12 ILE 21 HG12 ILE 21 -9.216 2.952 2.341 171 HG13 ILE 21 HG11 ILE 21 -10.759 3.797 2.353 172 HG21 ILE 21 HG21 ILE 21 -8.130 4.324 -0.170 173 HG22 ILE 21 HG22 ILE 21 -7.163 4.160 1.294 174 HG23 ILE 21 HG23 ILE 21 -7.418 5.752 0.580 175 HD11 ILE 21 HD11 ILE 21 -9.330 2.761 -0.082 176 HD12 ILE 21 HD12 ILE 21 -10.875 3.613 -0.078 177 HD13 ILE 21 HD13 ILE 21 -10.737 2.033 0.695 178 H GLU 22 HN GLU 22 -9.870 7.756 2.876 179 HA GLU 22 HA GLU 22 -7.715 9.147 1.750 180 HB2 GLU 22 HB2 GLU 22 -10.088 9.817 1.384 181 HB3 GLU 22 HB1 GLU 22 -10.152 10.342 3.060 182 HG2 GLU 22 HG2 GLU 22 -8.610 12.093 2.669 183 HG3 GLU 22 HG1 GLU 22 -8.190 11.461 1.079 184 H GLU 23 HN GLU 23 -8.897 8.499 4.888 185 HA GLU 23 HA GLU 23 -7.202 10.295 6.321 186 HB2 GLU 23 HB2 GLU 23 -8.334 7.726 7.394 187 HB3 GLU 23 HB1 GLU 23 -7.951 9.200 8.273 188 HG2 GLU 23 HG2 GLU 23 -9.772 10.341 7.077 189 HG3 GLU 23 HG1 GLU 23 -10.189 8.796 6.296 190 H LYS 24 HN LYS 24 -7.132 6.795 5.612 191 HA LYS 24 HA LYS 24 -4.654 6.265 6.800 192 HB2 LYS 24 HB2 LYS 24 -6.079 4.469 6.011 193 HB3 LYS 24 HB1 LYS 24 -5.901 5.010 4.349 194 HG2 LYS 24 HG2 LYS 24 -3.613 4.369 4.297 195 HG3 LYS 24 HG1 LYS 24 -3.594 4.075 6.035 196 HD2 LYS 24 HD2 LYS 24 -5.301 2.538 4.083 197 HD3 LYS 24 HD1 LYS 24 -3.708 2.010 4.630 198 HE2 LYS 24 HE2 LYS 24 -6.148 2.466 6.346 199 HE3 LYS 24 HE1 LYS 24 -5.434 0.911 5.924 200 HZ1 LYS 24 HZ1 LYS 24 -4.812 1.649 8.156 201 HZ2 LYS 24 HZ2 LYS 24 -4.084 3.027 7.512 202 HZ3 LYS 24 HZ3 LYS 24 -3.458 1.500 7.155 203 H ILE 25 HN ILE 25 -5.236 6.827 3.340 204 HA ILE 25 HA ILE 25 -2.544 7.120 2.612 205 HB ILE 25 HB ILE 25 -4.987 8.282 1.260 206 HG12 ILE 25 HG12 ILE 25 -5.125 5.845 1.552 207 HG13 ILE 25 HG11 ILE 25 -4.932 6.273 -0.140 208 HG21 ILE 25 HG21 ILE 25 -2.937 9.337 0.480 209 HG22 ILE 25 HG22 ILE 25 -3.619 8.299 -0.772 210 HG23 ILE 25 HG23 ILE 25 -2.226 7.754 0.163 211 HD11 ILE 25 HD11 ILE 25 -2.526 5.737 0.049 212 HD12 ILE 25 HD12 ILE 25 -3.586 4.361 0.354 213 HD13 ILE 25 HD13 ILE 25 -2.819 5.195 1.703 214 H GLY 26 HN GLY 26 -4.970 9.425 3.706 215 HA2 GLY 26 HA2 GLY 26 -3.461 11.767 3.327 216 HA3 GLY 26 HA1 GLY 26 -4.776 11.564 4.474 217 H LYS 27 HN LYS 27 -3.318 9.307 5.851 218 HA LYS 27 HA LYS 27 -1.868 11.070 7.613 219 HB2 LYS 27 HB2 LYS 27 -3.076 8.411 7.819 220 HB3 LYS 27 HB1 LYS 27 -1.533 8.551 8.647 221 HG2 LYS 27 HG2 LYS 27 -3.431 9.012 10.126 222 HG3 LYS 27 HG1 LYS 27 -2.365 10.407 9.957 223 HD2 LYS 27 HD2 LYS 27 -3.903 11.384 8.325 224 HD3 LYS 27 HD1 LYS 27 -4.966 9.985 8.485 225 HE2 LYS 27 HE2 LYS 27 -5.273 10.522 10.867 226 HE3 LYS 27 HE1 LYS 27 -4.244 11.939 10.668 227 HZ1 LYS 27 HZ1 LYS 27 -6.528 12.596 10.557 228 HZ2 LYS 27 HZ2 LYS 27 -6.864 11.455 9.360 229 HZ3 LYS 27 HZ3 LYS 27 -5.854 12.767 9.016 230 H LEU 28 HN LEU 28 -1.388 8.420 5.411 231 HA LEU 28 HA LEU 28 1.391 8.164 5.760 232 HB2 LEU 28 HB2 LEU 28 -0.129 7.764 3.207 233 HB3 LEU 28 HB1 LEU 28 1.384 7.001 3.680 234 HG LEU 28 HG LEU 28 -1.204 6.669 5.163 235 HD11 LEU 28 HD11 LEU 28 0.097 4.743 3.210 236 HD12 LEU 28 HD12 LEU 28 -1.308 5.736 2.847 237 HD13 LEU 28 HD13 LEU 28 -1.411 4.491 4.089 238 HD21 LEU 28 HD21 LEU 28 0.757 6.273 6.518 239 HD22 LEU 28 HD22 LEU 28 1.428 5.189 5.300 240 HD23 LEU 28 HD23 LEU 28 -0.039 4.739 6.172 241 H GLU 29 HN GLU 29 -0.610 10.228 3.766 242 HA GLU 29 HA GLU 29 1.414 11.631 2.406 243 HB2 GLU 29 HB2 GLU 29 -0.888 11.712 1.661 244 HB3 GLU 29 HB1 GLU 29 -1.394 12.434 3.181 245 HG2 GLU 29 HG2 GLU 29 -0.059 14.431 2.650 246 HG3 GLU 29 HG1 GLU 29 0.366 13.707 1.099 247 H ARG 30 HN ARG 30 -0.094 12.106 5.578 248 HA ARG 30 HA ARG 30 1.103 14.607 6.041 249 HB2 ARG 30 HB2 ARG 30 -0.015 12.635 7.896 250 HB3 ARG 30 HB1 ARG 30 0.595 14.170 8.447 251 HG2 ARG 30 HG2 ARG 30 -1.666 13.743 6.505 252 HG3 ARG 30 HG1 ARG 30 -1.833 14.195 8.201 253 HD2 ARG 30 HD2 ARG 30 -0.716 16.291 7.801 254 HD3 ARG 30 HD1 ARG 30 -0.360 15.827 6.139 255 HE ARG 30 HE ARG 30 -3.078 15.686 6.308 256 HH11 ARG 30 HH11 ARG 30 -0.689 18.168 6.920 257 HH12 ARG 30 HH12 ARG 30 -1.744 19.474 6.490 258 HH21 ARG 30 HH21 ARG 30 -4.474 17.400 5.738 259 HH22 ARG 30 HH22 ARG 30 -3.903 19.036 5.818 260 H TYR 31 HN TYR 31 2.355 11.451 6.205 261 HA TYR 31 HA TYR 31 4.709 12.362 7.673 262 HB2 TYR 31 HB2 TYR 31 4.073 9.668 6.441 263 HB3 TYR 31 HB1 TYR 31 5.516 10.032 7.379 264 HD1 TYR 31 HD1 TYR 31 2.618 8.329 7.591 265 HD2 TYR 31 HD2 TYR 31 4.688 11.374 9.720 266 HE1 TYR 31 HE1 TYR 31 1.412 7.706 9.639 267 HE2 TYR 31 HE2 TYR 31 3.491 10.756 11.777 268 HH TYR 31 HH TYR 31 1.752 7.887 12.098 269 H PHE 32 HN PHE 32 3.623 12.906 4.720 270 HA PHE 32 HA PHE 32 6.206 12.444 3.376 271 HB2 PHE 32 HB2 PHE 32 3.410 11.903 2.532 272 HB3 PHE 32 HB1 PHE 32 4.555 12.467 1.325 273 HD1 PHE 32 HD1 PHE 32 3.985 10.260 0.220 274 HD2 PHE 32 HD2 PHE 32 6.016 10.490 3.953 275 HE1 PHE 32 HE1 PHE 32 4.772 7.946 -0.068 276 HE2 PHE 32 HE2 PHE 32 6.807 8.181 3.669 277 HZ PHE 32 HZ PHE 32 6.185 6.905 1.656 278 H ASN 33 HN ASN 33 7.113 14.308 2.687 279 HA ASN 33 HA ASN 33 5.212 16.236 1.598 280 HB2 ASN 33 HB2 ASN 33 6.327 17.156 3.615 281 HB3 ASN 33 HB1 ASN 33 7.886 16.943 2.828 282 HD21 ASN 33 HD21 ASN 33 8.510 18.354 1.216 283 HD22 ASN 33 HD22 ASN 33 7.656 19.817 0.877 284 H ASP 34 HN ASP 34 8.486 14.963 1.320 285 HA ASP 34 HA ASP 34 8.870 16.119 -1.207 286 HB2 ASP 34 HB2 ASP 34 11.091 15.167 -1.162 287 HB3 ASP 34 HB1 ASP 34 10.732 15.885 0.403 288 H VAL 35 HN VAL 35 6.718 14.199 -0.955 289 HA VAL 35 HA VAL 35 7.625 11.853 -2.389 290 HB VAL 35 HB VAL 35 5.950 11.474 -0.689 291 HG11 VAL 35 HG11 VAL 35 4.177 13.324 -2.274 292 HG12 VAL 35 HG12 VAL 35 4.805 13.594 -0.648 293 HG13 VAL 35 HG13 VAL 35 3.639 12.302 -0.942 294 HG21 VAL 35 HG21 VAL 35 5.920 9.981 -2.585 295 HG22 VAL 35 HG22 VAL 35 4.857 11.075 -3.469 296 HG23 VAL 35 HG23 VAL 35 4.271 10.257 -2.021 297 HA PRO 36 HA PRO 36 6.920 13.952 -6.308 298 HB2 PRO 36 HB2 PRO 36 7.881 11.360 -7.334 299 HB3 PRO 36 HB1 PRO 36 8.512 12.984 -7.624 300 HG2 PRO 36 HG2 PRO 36 9.822 11.227 -6.082 301 HG3 PRO 36 HG1 PRO 36 9.815 12.962 -5.716 302 HD2 PRO 36 HD2 PRO 36 8.225 10.753 -4.467 303 HD3 PRO 36 HD1 PRO 36 9.025 12.140 -3.701 304 H ASN 37 HN ASN 37 6.202 10.493 -5.763 305 HA ASN 37 HA ASN 37 3.450 10.908 -6.442 306 HB2 ASN 37 HB2 ASN 37 4.374 10.751 -8.701 307 HB3 ASN 37 HB1 ASN 37 5.155 9.227 -8.293 308 HD21 ASN 37 HD21 ASN 37 3.961 7.362 -8.239 309 HD22 ASN 37 HD22 ASN 37 2.321 7.274 -8.773 310 H ALA 38 HN ALA 38 2.245 9.578 -5.293 311 HA ALA 38 HA ALA 38 3.075 6.794 -4.938 312 HB1 ALA 38 HB1 ALA 38 3.856 7.847 -2.895 313 HB2 ALA 38 HB2 ALA 38 2.440 6.857 -2.538 314 HB3 ALA 38 HB3 ALA 38 2.287 8.611 -2.650 315 H VAL 39 HN VAL 39 1.299 5.470 -5.279 316 HA VAL 39 HA VAL 39 -1.323 6.762 -5.410 317 HB VAL 39 HB VAL 39 0.242 5.104 -7.320 318 HG11 VAL 39 HG11 VAL 39 -1.711 3.742 -6.652 319 HG12 VAL 39 HG12 VAL 39 -1.620 4.136 -8.378 320 HG13 VAL 39 HG13 VAL 39 -2.749 5.002 -7.333 321 HG21 VAL 39 HG21 VAL 39 -0.107 7.500 -7.667 322 HG22 VAL 39 HG22 VAL 39 -1.849 7.219 -7.745 323 HG23 VAL 39 HG23 VAL 39 -0.782 6.521 -8.967 324 H ALA 40 HN ALA 40 -3.110 5.370 -4.871 325 HA ALA 40 HA ALA 40 -2.434 2.600 -4.089 326 HB1 ALA 40 HB1 ALA 40 -2.857 3.682 -1.997 327 HB2 ALA 40 HB2 ALA 40 -4.316 2.761 -2.399 328 HB3 ALA 40 HB3 ALA 40 -4.276 4.508 -2.640 329 H HIS 41 HN HIS 41 -3.091 1.910 -6.125 330 HA HIS 41 HA HIS 41 -5.808 2.451 -7.021 331 HB2 HIS 41 HB2 HIS 41 -3.658 2.185 -8.485 332 HB3 HIS 41 HB1 HIS 41 -3.916 0.460 -8.259 333 HD1 HIS 41 HD1 HIS 41 -5.303 3.463 -9.989 334 HD2 HIS 41 HD2 HIS 41 -6.097 -0.612 -9.650 335 HE1 HIS 41 HE1 HIS 41 -6.973 2.938 -11.798 336 HE2 HIS 41 HE2 HIS 41 -7.259 0.434 -11.707 337 H VAL 42 HN VAL 42 -7.333 1.376 -5.771 338 HA VAL 42 HA VAL 42 -6.615 -1.356 -4.846 339 HB VAL 42 HB VAL 42 -7.448 1.129 -3.468 340 HG11 VAL 42 HG11 VAL 42 -8.446 -0.134 -1.633 341 HG12 VAL 42 HG12 VAL 42 -8.301 -1.613 -2.586 342 HG13 VAL 42 HG13 VAL 42 -9.358 -0.309 -3.133 343 HG21 VAL 42 HG21 VAL 42 -5.799 -1.293 -2.863 344 HG22 VAL 42 HG22 VAL 42 -6.035 0.026 -1.708 345 HG23 VAL 42 HG23 VAL 42 -5.199 0.329 -3.241 346 H LYS 43 HN LYS 43 -8.032 -2.767 -4.983 347 HA LYS 43 HA LYS 43 -10.696 -2.049 -6.026 348 HB2 LYS 43 HB2 LYS 43 -8.807 -4.283 -6.771 349 HB3 LYS 43 HB1 LYS 43 -10.502 -4.293 -7.209 350 HG2 LYS 43 HG2 LYS 43 -10.261 -2.409 -8.602 351 HG3 LYS 43 HG1 LYS 43 -8.675 -2.030 -7.935 352 HD2 LYS 43 HD2 LYS 43 -9.294 -4.519 -9.518 353 HD3 LYS 43 HD1 LYS 43 -8.628 -3.043 -10.219 354 HE2 LYS 43 HE2 LYS 43 -6.727 -3.236 -8.611 355 HE3 LYS 43 HE1 LYS 43 -7.366 -4.803 -8.124 356 HZ1 LYS 43 HZ1 LYS 43 -7.147 -5.517 -10.462 357 HZ2 LYS 43 HZ2 LYS 43 -5.666 -5.126 -9.750 358 HZ3 LYS 43 HZ3 LYS 43 -6.396 -4.044 -10.824 359 H VAL 44 HN VAL 44 -12.376 -3.377 -5.404 360 HA VAL 44 HA VAL 44 -11.898 -5.259 -3.227 361 HB VAL 44 HB VAL 44 -12.238 -2.838 -2.352 362 HG11 VAL 44 HG11 VAL 44 -13.999 -2.228 -3.868 363 HG12 VAL 44 HG12 VAL 44 -14.581 -2.142 -2.199 364 HG13 VAL 44 HG13 VAL 44 -15.023 -3.516 -3.223 365 HG21 VAL 44 HG21 VAL 44 -13.639 -3.605 -0.489 366 HG22 VAL 44 HG22 VAL 44 -12.389 -4.779 -0.901 367 HG23 VAL 44 HG23 VAL 44 -14.055 -5.051 -1.410 368 H LYS 45 HN LYS 45 -13.893 -6.467 -2.791 369 HA LYS 45 HA LYS 45 -16.017 -6.437 -4.744 370 HB2 LYS 45 HB2 LYS 45 -13.928 -8.627 -4.729 371 HB3 LYS 45 HB1 LYS 45 -15.504 -8.803 -5.484 372 HG2 LYS 45 HG2 LYS 45 -15.002 -7.289 -7.168 373 HG3 LYS 45 HG1 LYS 45 -13.677 -6.564 -6.254 374 HD2 LYS 45 HD2 LYS 45 -12.404 -8.664 -6.496 375 HD3 LYS 45 HD1 LYS 45 -13.717 -9.322 -7.475 376 HE2 LYS 45 HE2 LYS 45 -13.388 -7.618 -9.145 377 HE3 LYS 45 HE1 LYS 45 -12.183 -6.814 -8.141 378 HZ1 LYS 45 HZ1 LYS 45 -11.260 -8.214 -9.953 379 HZ2 LYS 45 HZ2 LYS 45 -11.874 -9.579 -9.166 380 HZ3 LYS 45 HZ3 LYS 45 -10.695 -8.625 -8.409 381 H THR 46 HN THR 46 -17.708 -6.786 -3.397 382 HA THR 46 HA THR 46 -17.862 -9.291 -2.024 383 HB THR 46 HB THR 46 -16.686 -8.074 -0.296 384 HG1 THR 46 HG1 THR 46 -18.319 -8.252 1.370 385 HG21 THR 46 HG21 THR 46 -18.896 -6.056 -0.590 386 HG22 THR 46 HG22 THR 46 -17.161 -5.798 -0.783 387 HG23 THR 46 HG23 THR 46 -17.835 -6.129 0.814 388 H TYR 47 HN TYR 47 -19.908 -9.979 -1.886 389 HA TYR 47 HA TYR 47 -22.037 -7.956 -1.775 390 HB2 TYR 47 HB2 TYR 47 -21.849 -9.226 -4.016 391 HB3 TYR 47 HB1 TYR 47 -22.389 -10.639 -3.120 392 HD1 TYR 47 HD1 TYR 47 -23.372 -7.098 -3.756 393 HD2 TYR 47 HD2 TYR 47 -24.666 -11.085 -3.032 394 HE1 TYR 47 HE1 TYR 47 -25.701 -6.402 -4.119 395 HE2 TYR 47 HE2 TYR 47 -27.000 -10.399 -3.391 396 HH TYR 47 HH TYR 47 -27.827 -7.341 -4.721 397 H SER 48 HN SER 48 -21.325 -8.381 0.468 398 HA SER 48 HA SER 48 -23.075 -9.953 1.981 399 HB2 SER 48 HB2 SER 48 -20.324 -11.148 1.531 400 HB3 SER 48 HB1 SER 48 -21.294 -11.528 2.950 401 HG SER 48 HG SER 48 -22.442 -11.800 0.404 402 H ASN 49 HN ASN 49 -22.538 -9.784 4.307 403 HA ASN 49 HA ASN 49 -20.955 -7.384 4.826 404 HB2 ASN 49 HB2 ASN 49 -23.009 -8.890 6.431 405 HB3 ASN 49 HB1 ASN 49 -21.987 -7.664 7.171 406 HD21 ASN 49 HD21 ASN 49 -21.910 -5.955 4.848 407 HD22 ASN 49 HD22 ASN 49 -23.473 -5.234 4.710 408 H SER 50 HN SER 50 -20.344 -10.573 4.685 409 HA SER 50 HA SER 50 -18.488 -10.498 6.936 410 HB2 SER 50 HB2 SER 50 -20.237 -12.295 7.009 411 HB3 SER 50 HB1 SER 50 -19.512 -12.979 5.555 412 HG SER 50 HG SER 50 -17.700 -12.472 7.557 413 H ALA 51 HN ALA 51 -18.347 -9.670 4.031 414 HA ALA 51 HA ALA 51 -15.704 -10.840 3.539 415 HB1 ALA 51 HB1 ALA 51 -16.641 -12.103 1.914 416 HB2 ALA 51 HB2 ALA 51 -16.506 -10.579 1.005 417 HB3 ALA 51 HB3 ALA 51 -18.043 -11.039 1.755 418 H THR 52 HN THR 52 -14.248 -9.448 2.639 419 HA THR 52 HA THR 52 -15.258 -7.695 0.790 420 HB THR 52 HB THR 52 -13.188 -6.235 2.166 421 HG1 THR 52 HG1 THR 52 -15.151 -7.390 3.566 422 HG21 THR 52 HG21 THR 52 -16.034 -5.591 1.401 423 HG22 THR 52 HG22 THR 52 -14.584 -5.188 0.487 424 HG23 THR 52 HG23 THR 52 -14.889 -4.418 2.042 425 H LYS 53 HN LYS 53 -14.235 -8.761 -0.878 426 HA LYS 53 HA LYS 53 -11.495 -9.648 -0.571 427 HB2 LYS 53 HB2 LYS 53 -13.171 -9.552 -3.090 428 HB3 LYS 53 HB1 LYS 53 -11.750 -10.541 -2.795 429 HG2 LYS 53 HG2 LYS 53 -12.925 -11.899 -1.228 430 HG3 LYS 53 HG1 LYS 53 -14.314 -10.813 -1.249 431 HD2 LYS 53 HD2 LYS 53 -14.628 -11.344 -3.651 432 HD3 LYS 53 HD1 LYS 53 -13.315 -12.514 -3.526 433 HE2 LYS 53 HE2 LYS 53 -14.571 -13.763 -1.851 434 HE3 LYS 53 HE1 LYS 53 -15.875 -12.580 -1.935 435 HZ1 LYS 53 HZ1 LYS 53 -16.118 -13.170 -4.309 436 HZ2 LYS 53 HZ2 LYS 53 -16.457 -14.453 -3.260 437 HZ3 LYS 53 HZ3 LYS 53 -14.986 -14.411 -4.093 438 H ILE 54 HN ILE 54 -9.709 -8.620 -1.384 439 HA ILE 54 HA ILE 54 -10.172 -6.020 -2.654 440 HB ILE 54 HB ILE 54 -8.051 -5.320 -1.393 441 HG12 ILE 54 HG12 ILE 54 -7.775 -7.756 -0.504 442 HG13 ILE 54 HG11 ILE 54 -7.432 -6.400 0.559 443 HG21 ILE 54 HG21 ILE 54 -10.709 -5.687 -0.108 444 HG22 ILE 54 HG22 ILE 54 -10.175 -4.361 -1.159 445 HG23 ILE 54 HG23 ILE 54 -9.462 -4.564 0.449 446 HD11 ILE 54 HD11 ILE 54 -10.004 -7.965 0.528 447 HD12 ILE 54 HD12 ILE 54 -9.563 -6.682 1.657 448 HD13 ILE 54 HD13 ILE 54 -8.675 -8.207 1.663 449 H GLU 55 HN GLU 55 -8.386 -5.071 -3.711 450 HA GLU 55 HA GLU 55 -6.108 -6.734 -4.304 451 HB2 GLU 55 HB2 GLU 55 -8.213 -5.962 -6.278 452 HB3 GLU 55 HB1 GLU 55 -6.533 -6.002 -6.742 453 HG2 GLU 55 HG2 GLU 55 -6.373 -8.328 -6.332 454 HG3 GLU 55 HG1 GLU 55 -7.922 -8.339 -5.494 455 H VAL 56 HN VAL 56 -4.669 -5.308 -3.715 456 HA VAL 56 HA VAL 56 -5.158 -2.447 -4.184 457 HB VAL 56 HB VAL 56 -4.519 -2.252 -1.978 458 HG11 VAL 56 HG11 VAL 56 -3.667 -4.074 -0.714 459 HG12 VAL 56 HG12 VAL 56 -3.411 -4.983 -2.199 460 HG13 VAL 56 HG13 VAL 56 -5.043 -4.552 -1.702 461 HG21 VAL 56 HG21 VAL 56 -2.133 -2.204 -1.495 462 HG22 VAL 56 HG22 VAL 56 -2.364 -1.596 -3.126 463 HG23 VAL 56 HG23 VAL 56 -1.784 -3.236 -2.876 464 H THR 57 HN THR 57 -3.663 -1.271 -5.153 465 HA THR 57 HA THR 57 -1.029 -2.416 -5.581 466 HB THR 57 HB THR 57 -2.491 -1.185 -7.961 467 HG1 THR 57 HG1 THR 57 -2.728 -3.669 -6.943 468 HG21 THR 57 HG21 THR 57 -0.056 -1.015 -8.036 469 HG22 THR 57 HG22 THR 57 -0.635 -2.153 -9.253 470 HG23 THR 57 HG23 THR 57 0.085 -2.750 -7.758 471 H ILE 58 HN ILE 58 0.166 -0.972 -4.726 472 HA ILE 58 HA ILE 58 -0.655 1.874 -4.719 473 HB ILE 58 HB ILE 58 0.488 -0.002 -2.650 474 HG12 ILE 58 HG12 ILE 58 -1.818 1.938 -2.500 475 HG13 ILE 58 HG11 ILE 58 -1.972 0.235 -2.902 476 HG21 ILE 58 HG21 ILE 58 0.453 3.019 -2.470 477 HG22 ILE 58 HG22 ILE 58 1.883 1.986 -2.500 478 HG23 ILE 58 HG23 ILE 58 0.783 1.932 -1.122 479 HD11 ILE 58 HD11 ILE 58 -1.061 -0.334 -0.692 480 HD12 ILE 58 HD12 ILE 58 -2.544 0.616 -0.594 481 HD13 ILE 58 HD13 ILE 58 -0.983 1.386 -0.304 482 HA PRO 59 HA PRO 59 3.584 1.824 -6.697 483 HB2 PRO 59 HB2 PRO 59 2.320 4.086 -8.141 484 HB3 PRO 59 HB1 PRO 59 3.201 2.689 -8.784 485 HG2 PRO 59 HG2 PRO 59 0.566 2.877 -9.066 486 HG3 PRO 59 HG1 PRO 59 1.325 1.315 -8.697 487 HD2 PRO 59 HD2 PRO 59 -0.020 3.241 -6.829 488 HD3 PRO 59 HD1 PRO 59 -0.249 1.487 -6.969 489 H LEU 60 HN LEU 60 4.702 2.676 -4.947 490 HA LEU 60 HA LEU 60 4.592 5.578 -4.593 491 HB2 LEU 60 HB2 LEU 60 5.862 3.320 -3.128 492 HB3 LEU 60 HB1 LEU 60 6.688 4.860 -3.096 493 HG LEU 60 HG LEU 60 4.608 5.896 -2.179 494 HD11 LEU 60 HD11 LEU 60 3.004 4.259 -2.998 495 HD12 LEU 60 HD12 LEU 60 2.895 4.440 -1.246 496 HD13 LEU 60 HD13 LEU 60 3.705 3.035 -1.939 497 HD21 LEU 60 HD21 LEU 60 6.448 5.258 -0.719 498 HD22 LEU 60 HD22 LEU 60 5.788 3.627 -0.582 499 HD23 LEU 60 HD23 LEU 60 4.895 4.998 0.077 500 H LYS 61 HN LYS 61 7.155 6.368 -4.388 501 HA LYS 61 HA LYS 61 8.078 6.541 -7.015 502 HB2 LYS 61 HB2 LYS 61 9.878 6.610 -4.658 503 HB3 LYS 61 HB1 LYS 61 9.970 7.595 -6.113 504 HG2 LYS 61 HG2 LYS 61 9.196 9.204 -4.750 505 HG3 LYS 61 HG1 LYS 61 7.632 8.473 -5.108 506 HD2 LYS 61 HD2 LYS 61 7.825 8.815 -2.727 507 HD3 LYS 61 HD1 LYS 61 7.862 7.087 -3.063 508 HE2 LYS 61 HE2 LYS 61 9.520 7.642 -1.391 509 HE3 LYS 61 HE1 LYS 61 10.318 7.122 -2.871 510 HZ1 LYS 61 HZ1 LYS 61 10.734 9.438 -3.420 511 HZ2 LYS 61 HZ2 LYS 61 11.391 9.058 -1.910 512 HZ3 LYS 61 HZ3 LYS 61 9.954 9.938 -2.003 513 H ASN 62 HN ASN 62 9.303 4.820 -4.205 514 HA ASN 62 HA ASN 62 11.422 3.768 -5.717 515 HB2 ASN 62 HB2 ASN 62 11.502 4.587 -3.323 516 HB3 ASN 62 HB1 ASN 62 10.830 3.024 -2.962 517 HD21 ASN 62 HD21 ASN 62 13.070 3.384 -5.576 518 HD22 ASN 62 HD22 ASN 62 14.390 2.578 -4.807 519 H VAL 63 HN VAL 63 8.581 2.501 -4.105 520 HA VAL 63 HA VAL 63 8.867 -0.005 -5.590 521 HB VAL 63 HB VAL 63 9.723 -0.305 -3.299 522 HG11 VAL 63 HG11 VAL 63 8.173 -0.285 -1.394 523 HG12 VAL 63 HG12 VAL 63 6.921 0.374 -2.446 524 HG13 VAL 63 HG13 VAL 63 8.379 1.311 -2.118 525 HG21 VAL 63 HG21 VAL 63 7.181 -1.807 -3.896 526 HG22 VAL 63 HG22 VAL 63 8.396 -2.301 -2.718 527 HG23 VAL 63 HG23 VAL 63 8.807 -2.231 -4.431 528 H THR 64 HN THR 64 6.951 -1.134 -5.965 529 HA THR 64 HA THR 64 4.441 0.386 -5.585 530 HB THR 64 HB THR 64 5.234 -1.414 -7.891 531 HG1 THR 64 HG1 THR 64 5.703 1.160 -7.455 532 HG21 THR 64 HG21 THR 64 2.694 0.158 -7.441 533 HG22 THR 64 HG22 THR 64 2.850 -1.598 -7.409 534 HG23 THR 64 HG23 THR 64 3.112 -0.717 -8.914 535 H LEU 65 HN LEU 65 3.141 -0.690 -4.140 536 HA LEU 65 HA LEU 65 3.566 -3.560 -3.820 537 HB2 LEU 65 HB2 LEU 65 2.005 -1.597 -2.144 538 HB3 LEU 65 HB1 LEU 65 1.889 -3.326 -1.934 539 HG LEU 65 HG LEU 65 4.466 -3.299 -1.717 540 HD11 LEU 65 HD11 LEU 65 4.861 -0.975 -2.334 541 HD12 LEU 65 HD12 LEU 65 5.416 -1.293 -0.683 542 HD13 LEU 65 HD13 LEU 65 3.892 -0.436 -0.963 543 HD21 LEU 65 HD21 LEU 65 4.277 -2.978 0.688 544 HD22 LEU 65 HD22 LEU 65 2.947 -3.933 0.041 545 HD23 LEU 65 HD23 LEU 65 2.690 -2.240 0.462 546 H ARG 66 HN ARG 66 1.988 -5.071 -3.963 547 HA ARG 66 HA ARG 66 -0.700 -4.194 -4.656 548 HB2 ARG 66 HB2 ARG 66 0.335 -4.838 -6.639 549 HB3 ARG 66 HB1 ARG 66 0.975 -6.313 -5.989 550 HG2 ARG 66 HG2 ARG 66 -0.936 -7.437 -6.334 551 HG3 ARG 66 HG1 ARG 66 -1.941 -6.079 -5.834 552 HD2 ARG 66 HD2 ARG 66 -2.278 -6.690 -8.193 553 HD3 ARG 66 HD1 ARG 66 -1.691 -5.043 -7.994 554 HE ARG 66 HE ARG 66 0.360 -7.022 -8.497 555 HH11 ARG 66 HH11 ARG 66 -1.858 -4.688 -9.865 556 HH12 ARG 66 HH12 ARG 66 -0.985 -4.531 -11.355 557 HH21 ARG 66 HH21 ARG 66 1.520 -6.816 -10.460 558 HH22 ARG 66 HH22 ARG 66 0.930 -5.753 -11.699 559 H ALA 67 HN ALA 67 -2.260 -5.395 -3.755 560 HA ALA 67 HA ALA 67 -1.560 -8.009 -2.577 561 HB1 ALA 67 HB1 ALA 67 -3.329 -6.342 -0.849 562 HB2 ALA 67 HB2 ALA 67 -1.598 -6.066 -0.795 563 HB3 ALA 67 HB3 ALA 67 -2.242 -7.662 -0.422 564 H GLU 68 HN GLU 68 -2.824 -9.423 -3.449 565 HA GLU 68 HA GLU 68 -5.594 -8.661 -4.104 566 HB2 GLU 68 HB2 GLU 68 -5.403 -10.619 -5.758 567 HB3 GLU 68 HB1 GLU 68 -4.531 -9.144 -6.148 568 HG2 GLU 68 HG2 GLU 68 -2.463 -10.133 -5.331 569 HG3 GLU 68 HG1 GLU 68 -3.328 -11.609 -4.907 570 H GLU 69 HN GLU 69 -6.632 -9.277 -2.243 571 HA GLU 69 HA GLU 69 -6.342 -12.075 -1.398 572 HB2 GLU 69 HB2 GLU 69 -5.908 -9.647 0.329 573 HB3 GLU 69 HB1 GLU 69 -6.302 -11.220 1.004 574 HG2 GLU 69 HG2 GLU 69 -3.933 -10.721 -0.774 575 HG3 GLU 69 HG1 GLU 69 -3.877 -10.635 0.985 576 H ARG 70 HN ARG 70 -8.081 -12.915 -0.247 577 HA ARG 70 HA ARG 70 -10.481 -11.230 -0.093 578 HB2 ARG 70 HB2 ARG 70 -11.757 -13.316 -0.214 579 HB3 ARG 70 HB1 ARG 70 -10.655 -13.180 -1.579 580 HG2 ARG 70 HG2 ARG 70 -9.106 -14.712 -0.527 581 HG3 ARG 70 HG1 ARG 70 -10.149 -14.820 0.889 582 HD2 ARG 70 HD2 ARG 70 -11.012 -15.590 -1.889 583 HD3 ARG 70 HD1 ARG 70 -10.337 -16.727 -0.725 584 HE ARG 70 HE ARG 70 -12.670 -15.192 0.117 585 HH11 ARG 70 HH11 ARG 70 -11.360 -18.214 -1.066 586 HH12 ARG 70 HH12 ARG 70 -12.737 -19.151 -0.584 587 HH21 ARG 70 HH21 ARG 70 -14.491 -16.420 0.754 588 HH22 ARG 70 HH22 ARG 70 -14.528 -18.126 0.441 589 H ASN 71 HN ASN 71 -11.507 -11.012 1.869 590 HA ASN 71 HA ASN 71 -11.101 -12.803 4.049 591 HB2 ASN 71 HB2 ASN 71 -8.983 -11.270 3.994 592 HB3 ASN 71 HB1 ASN 71 -10.044 -10.035 4.612 593 HD21 ASN 71 HD21 ASN 71 -7.909 -10.720 5.822 594 HD22 ASN 71 HD22 ASN 71 -8.318 -11.514 7.258 595 H ASP 72 HN ASP 72 -12.147 -11.704 6.116 596 HA ASP 72 HA ASP 72 -14.765 -10.867 5.404 597 HB2 ASP 72 HB2 ASP 72 -14.120 -12.074 7.528 598 HB3 ASP 72 HB1 ASP 72 -13.424 -10.565 8.102 599 H ASP 73 HN ASP 73 -11.876 -9.203 6.495 600 HA ASP 73 HA ASP 73 -13.217 -6.587 6.194 601 HB2 ASP 73 HB2 ASP 73 -10.963 -7.539 7.940 602 HB3 ASP 73 HB1 ASP 73 -11.111 -5.843 7.517 603 H LEU 74 HN LEU 74 -12.994 -5.878 4.398 604 HA LEU 74 HA LEU 74 -11.117 -5.473 2.609 605 HB2 LEU 74 HB2 LEU 74 -13.114 -4.197 2.626 606 HB3 LEU 74 HB1 LEU 74 -12.786 -3.685 4.281 607 HG LEU 74 HG LEU 74 -11.223 -2.049 3.571 608 HD11 LEU 74 HD11 LEU 74 -11.450 -3.297 0.856 609 HD12 LEU 74 HD12 LEU 74 -10.026 -3.186 1.895 610 HD13 LEU 74 HD13 LEU 74 -10.699 -1.729 1.161 611 HD21 LEU 74 HD21 LEU 74 -12.579 -0.625 2.126 612 HD22 LEU 74 HD22 LEU 74 -13.562 -1.411 3.361 613 HD23 LEU 74 HD23 LEU 74 -13.586 -2.007 1.702 614 H TYR 75 HN TYR 75 -11.243 -4.101 5.794 615 HA TYR 75 HA TYR 75 -9.150 -2.295 5.337 616 HB2 TYR 75 HB2 TYR 75 -11.077 -2.119 7.065 617 HB3 TYR 75 HB1 TYR 75 -10.007 -3.041 8.120 618 HD1 TYR 75 HD1 TYR 75 -9.645 -0.358 5.703 619 HD2 TYR 75 HD2 TYR 75 -8.995 -1.883 9.562 620 HE1 TYR 75 HE1 TYR 75 -8.463 1.616 6.261 621 HE2 TYR 75 HE2 TYR 75 -7.819 0.079 10.159 622 HH TYR 75 HH TYR 75 -7.845 2.948 8.340 623 H ALA 76 HN ALA 76 -9.400 -5.544 6.157 624 HA ALA 76 HA ALA 76 -6.895 -5.824 7.578 625 HB1 ALA 76 HB1 ALA 76 -7.469 -8.161 7.670 626 HB2 ALA 76 HB2 ALA 76 -8.738 -7.924 6.466 627 HB3 ALA 76 HB3 ALA 76 -8.906 -7.216 8.076 628 H GLY 77 HN GLY 77 -8.329 -6.297 4.414 629 HA2 GLY 77 HA2 GLY 77 -6.068 -7.617 3.268 630 HA3 GLY 77 HA1 GLY 77 -7.392 -6.824 2.420 631 H ILE 78 HN ILE 78 -7.292 -4.290 3.135 632 HA ILE 78 HA ILE 78 -5.063 -3.272 1.838 633 HB ILE 78 HB ILE 78 -7.093 -1.851 3.586 634 HG12 ILE 78 HG12 ILE 78 -8.105 -2.966 1.681 635 HG13 ILE 78 HG11 ILE 78 -8.120 -1.225 1.427 636 HG21 ILE 78 HG21 ILE 78 -5.119 -0.696 1.619 637 HG22 ILE 78 HG22 ILE 78 -5.085 -0.496 3.371 638 HG23 ILE 78 HG23 ILE 78 -6.402 0.202 2.429 639 HD11 ILE 78 HD11 ILE 78 -6.236 -3.210 0.178 640 HD12 ILE 78 HD12 ILE 78 -6.147 -1.461 -0.029 641 HD13 ILE 78 HD13 ILE 78 -7.553 -2.349 -0.618 642 H ASP 79 HN ASP 79 -5.781 -3.808 5.301 643 HA ASP 79 HA ASP 79 -3.383 -2.535 6.329 644 HB2 ASP 79 HB2 ASP 79 -5.289 -3.115 7.806 645 HB3 ASP 79 HB1 ASP 79 -4.998 -4.823 7.495 646 H LEU 80 HN LEU 80 -4.115 -5.817 5.218 647 HA LEU 80 HA LEU 80 -1.607 -6.874 5.736 648 HB2 LEU 80 HB2 LEU 80 -3.596 -8.063 4.676 649 HB3 LEU 80 HB1 LEU 80 -3.125 -7.318 3.166 650 HG LEU 80 HG LEU 80 -0.915 -8.457 3.343 651 HD11 LEU 80 HD11 LEU 80 -2.237 -9.867 5.654 652 HD12 LEU 80 HD12 LEU 80 -0.830 -8.805 5.733 653 HD13 LEU 80 HD13 LEU 80 -0.721 -10.352 4.895 654 HD21 LEU 80 HD21 LEU 80 -1.767 -10.678 2.729 655 HD22 LEU 80 HD22 LEU 80 -2.662 -9.374 1.949 656 HD23 LEU 80 HD23 LEU 80 -3.361 -10.217 3.331 657 H ILE 81 HN ILE 81 -2.749 -5.228 2.788 658 HA ILE 81 HA ILE 81 -0.133 -4.935 1.792 659 HB ILE 81 HB ILE 81 -2.472 -4.656 0.614 660 HG12 ILE 81 HG12 ILE 81 -1.230 -4.040 -1.275 661 HG13 ILE 81 HG11 ILE 81 -0.240 -2.899 -0.378 662 HG21 ILE 81 HG21 ILE 81 -1.654 -1.787 1.022 663 HG22 ILE 81 HG22 ILE 81 -2.985 -2.569 1.873 664 HG23 ILE 81 HG23 ILE 81 -3.048 -2.389 0.121 665 HD11 ILE 81 HD11 ILE 81 1.144 -4.593 0.448 666 HD12 ILE 81 HD12 ILE 81 0.872 -5.020 -1.241 667 HD13 ILE 81 HD13 ILE 81 -0.003 -5.862 0.035 668 H ASN 82 HN ASN 82 -1.905 -2.793 3.967 669 HA ASN 82 HA ASN 82 -0.187 -0.533 3.439 670 HB2 ASN 82 HB2 ASN 82 -2.601 -0.343 4.156 671 HB3 ASN 82 HB1 ASN 82 -2.110 -0.919 5.739 672 HD21 ASN 82 HD21 ASN 82 -1.152 0.444 7.153 673 HD22 ASN 82 HD22 ASN 82 -0.905 2.130 6.845 674 H ASN 83 HN ASN 83 -0.465 -3.056 5.782 675 HA ASN 83 HA ASN 83 1.474 -1.911 7.575 676 HB2 ASN 83 HB2 ASN 83 0.421 -3.303 8.986 677 HB3 ASN 83 HB1 ASN 83 -0.621 -3.790 7.616 678 HD21 ASN 83 HD21 ASN 83 -0.264 -5.759 6.668 679 HD22 ASN 83 HD22 ASN 83 0.802 -6.960 7.311 680 H LYS 84 HN LYS 84 1.270 -4.529 5.197 681 HA LYS 84 HA LYS 84 4.070 -5.091 5.221 682 HB2 LYS 84 HB2 LYS 84 1.917 -5.600 3.182 683 HB3 LYS 84 HB1 LYS 84 3.604 -5.963 2.845 684 HG2 LYS 84 HG2 LYS 84 3.645 -7.459 4.802 685 HG3 LYS 84 HG1 LYS 84 1.928 -7.134 5.057 686 HD2 LYS 84 HD2 LYS 84 1.406 -8.073 2.874 687 HD3 LYS 84 HD1 LYS 84 3.122 -8.342 2.561 688 HE2 LYS 84 HE2 LYS 84 3.217 -9.873 4.478 689 HE3 LYS 84 HE1 LYS 84 1.494 -9.619 4.756 690 HZ1 LYS 84 HZ1 LYS 84 1.053 -10.553 2.561 691 HZ2 LYS 84 HZ2 LYS 84 1.880 -11.658 3.538 692 HZ3 LYS 84 HZ3 LYS 84 2.706 -10.820 2.323 693 H LEU 85 HN LEU 85 2.122 -2.598 3.806 694 HA LEU 85 HA LEU 85 3.948 -1.582 1.941 695 HB2 LEU 85 HB2 LEU 85 1.599 -0.805 2.155 696 HB3 LEU 85 HB1 LEU 85 2.003 -0.048 3.679 697 HG LEU 85 HG LEU 85 3.435 0.785 1.176 698 HD11 LEU 85 HD11 LEU 85 1.720 2.476 0.797 699 HD12 LEU 85 HD12 LEU 85 0.753 1.803 2.110 700 HD13 LEU 85 HD13 LEU 85 1.044 0.853 0.654 701 HD21 LEU 85 HD21 LEU 85 4.263 1.629 3.312 702 HD22 LEU 85 HD22 LEU 85 2.652 2.225 3.713 703 HD23 LEU 85 HD23 LEU 85 3.542 2.931 2.365 704 H GLU 86 HN GLU 86 3.345 -0.551 5.284 705 HA GLU 86 HA GLU 86 5.549 1.041 5.650 706 HB2 GLU 86 HB2 GLU 86 3.882 0.873 7.342 707 HB3 GLU 86 HB1 GLU 86 4.119 -0.858 7.497 708 HG2 GLU 86 HG2 GLU 86 6.352 -0.443 8.440 709 HG3 GLU 86 HG1 GLU 86 6.061 1.291 8.315 710 H ARG 87 HN ARG 87 5.289 -2.482 6.156 711 HA ARG 87 HA ARG 87 7.945 -2.885 6.937 712 HB2 ARG 87 HB2 ARG 87 6.289 -4.480 7.454 713 HB3 ARG 87 HB1 ARG 87 6.014 -4.724 5.761 714 HG2 ARG 87 HG2 ARG 87 8.232 -5.689 5.494 715 HG3 ARG 87 HG1 ARG 87 8.525 -5.434 7.216 716 HD2 ARG 87 HD2 ARG 87 6.737 -6.952 7.785 717 HD3 ARG 87 HD1 ARG 87 6.307 -7.134 6.086 718 HE ARG 87 HE ARG 87 9.021 -7.864 6.612 719 HH11 ARG 87 HH11 ARG 87 5.716 -8.985 6.788 720 HH12 ARG 87 HH12 ARG 87 6.142 -10.662 6.656 721 HH21 ARG 87 HH21 ARG 87 9.587 -10.081 6.422 722 HH22 ARG 87 HH22 ARG 87 8.335 -11.282 6.439 723 H GLN 88 HN GLN 88 6.545 -2.856 3.715 724 HA GLN 88 HA GLN 88 8.894 -4.206 2.605 725 HB2 GLN 88 HB2 GLN 88 6.130 -3.829 1.803 726 HB3 GLN 88 HB1 GLN 88 7.247 -3.440 0.512 727 HG2 GLN 88 HG2 GLN 88 8.271 -5.651 0.729 728 HG3 GLN 88 HG1 GLN 88 7.167 -6.032 2.049 729 HE21 GLN 88 HE21 GLN 88 6.237 -4.238 -0.799 730 HE22 GLN 88 HE22 GLN 88 5.197 -5.450 -1.458 731 H VAL 89 HN VAL 89 6.985 -1.343 2.202 732 HA VAL 89 HA VAL 89 8.535 0.194 0.636 733 HB VAL 89 HB VAL 89 6.759 0.804 2.922 734 HG11 VAL 89 HG11 VAL 89 7.053 3.233 2.579 735 HG12 VAL 89 HG12 VAL 89 8.369 2.915 1.448 736 HG13 VAL 89 HG13 VAL 89 8.544 2.484 3.149 737 HG21 VAL 89 HG21 VAL 89 5.789 0.299 0.764 738 HG22 VAL 89 HG22 VAL 89 6.749 1.564 -0.002 739 HG23 VAL 89 HG23 VAL 89 5.498 1.991 1.164 740 H ARG 90 HN ARG 90 8.815 -0.104 4.147 741 HA ARG 90 HA ARG 90 11.210 1.464 4.216 742 HB2 ARG 90 HB2 ARG 90 11.579 0.805 6.480 743 HB3 ARG 90 HB1 ARG 90 9.873 1.190 6.266 744 HG2 ARG 90 HG2 ARG 90 9.339 -1.186 6.209 745 HG3 ARG 90 HG1 ARG 90 11.051 -1.582 6.365 746 HD2 ARG 90 HD2 ARG 90 9.804 -1.732 8.502 747 HD3 ARG 90 HD1 ARG 90 11.143 -0.586 8.546 748 HE ARG 90 HE ARG 90 8.774 0.770 7.843 749 HH11 ARG 90 HH11 ARG 90 10.269 -0.799 10.590 750 HH12 ARG 90 HH12 ARG 90 9.480 0.211 11.757 751 HH21 ARG 90 HH21 ARG 90 7.733 2.100 9.373 752 HH22 ARG 90 HH22 ARG 90 8.030 1.861 11.067 753 H LYS 91 HN LYS 91 10.634 -2.021 3.988 754 HA LYS 91 HA LYS 91 13.234 -2.866 4.337 755 HB2 LYS 91 HB2 LYS 91 11.516 -4.444 4.312 756 HB3 LYS 91 HB1 LYS 91 11.125 -3.936 2.715 757 HG2 LYS 91 HG2 LYS 91 13.191 -4.854 1.839 758 HG3 LYS 91 HG1 LYS 91 13.636 -5.346 3.475 759 HD2 LYS 91 HD2 LYS 91 11.709 -6.832 3.570 760 HD3 LYS 91 HD1 LYS 91 11.211 -6.312 1.960 761 HE2 LYS 91 HE2 LYS 91 13.794 -7.720 2.626 762 HE3 LYS 91 HE1 LYS 91 12.367 -8.482 1.927 763 HZ1 LYS 91 HZ1 LYS 91 12.595 -6.997 0.009 764 HZ2 LYS 91 HZ2 LYS 91 13.959 -7.973 0.219 765 HZ3 LYS 91 HZ3 LYS 91 14.008 -6.348 0.675 766 H TYR 92 HN TYR 92 11.547 -1.758 1.533 767 HA TYR 92 HA TYR 92 13.706 -2.278 -0.282 768 HB2 TYR 92 HB2 TYR 92 11.158 -2.171 -0.764 769 HB3 TYR 92 HB1 TYR 92 11.408 -0.434 -0.869 770 HD1 TYR 92 HD1 TYR 92 12.528 -3.668 -2.312 771 HD2 TYR 92 HD2 TYR 92 12.211 0.539 -2.850 772 HE1 TYR 92 HE1 TYR 92 13.234 -3.921 -4.653 773 HE2 TYR 92 HE2 TYR 92 12.916 0.296 -5.192 774 HH TYR 92 HH TYR 92 14.132 -1.250 -6.598 775 H LYS 93 HN LYS 93 12.235 0.778 0.924 776 HA LYS 93 HA LYS 93 14.108 2.424 -0.394 777 HB2 LYS 93 HB2 LYS 93 13.319 4.253 0.985 778 HB3 LYS 93 HB1 LYS 93 11.954 3.288 0.447 779 HG2 LYS 93 HG2 LYS 93 11.653 2.342 2.577 780 HG3 LYS 93 HG1 LYS 93 13.221 2.914 3.142 781 HD2 LYS 93 HD2 LYS 93 12.414 5.232 2.962 782 HD3 LYS 93 HD1 LYS 93 10.836 4.628 2.449 783 HE2 LYS 93 HE2 LYS 93 10.490 3.552 4.558 784 HE3 LYS 93 HE1 LYS 93 12.144 3.894 5.062 785 HZ1 LYS 93 HZ1 LYS 93 10.023 5.913 4.579 786 HZ2 LYS 93 HZ2 LYS 93 11.613 6.255 5.033 787 HZ3 LYS 93 HZ3 LYS 93 10.598 5.416 6.088 788 H THR 94 HN THR 94 14.076 1.025 2.854 789 HA THR 94 HA THR 94 16.484 2.345 3.624 790 HB THR 94 HB THR 94 14.924 0.072 4.875 791 HG1 THR 94 HG1 THR 94 14.914 2.797 4.999 792 HG21 THR 94 HG21 THR 94 16.374 0.289 6.838 793 HG22 THR 94 HG22 THR 94 17.385 1.451 5.978 794 HG23 THR 94 HG23 THR 94 17.308 -0.225 5.432 795 H ARG 95 HN ARG 95 15.700 -0.761 2.118 796 HA ARG 95 HA ARG 95 18.261 -1.910 2.179 797 HB2 ARG 95 HB2 ARG 95 15.923 -2.707 1.156 798 HB3 ARG 95 HB1 ARG 95 16.648 -2.105 -0.324 799 HG2 ARG 95 HG2 ARG 95 17.921 -4.160 1.462 800 HG3 ARG 95 HG1 ARG 95 16.925 -4.543 0.062 801 HD2 ARG 95 HD2 ARG 95 18.513 -3.289 -1.360 802 HD3 ARG 95 HD1 ARG 95 19.528 -3.022 0.058 803 HE ARG 95 HE ARG 95 19.072 -5.760 -0.144 804 HH11 ARG 95 HH11 ARG 95 20.717 -3.238 -1.938 805 HH12 ARG 95 HH12 ARG 95 21.859 -4.329 -2.656 806 HH21 ARG 95 HH21 ARG 95 20.577 -7.183 -1.090 807 HH22 ARG 95 HH22 ARG 95 21.790 -6.563 -2.164 808 H ILE 96 HN ILE 96 16.769 0.269 -0.207 809 HA ILE 96 HA ILE 96 19.088 0.550 -1.810 810 HB ILE 96 HB ILE 96 16.521 2.062 -1.584 811 HG12 ILE 96 HG12 ILE 96 16.412 1.522 -4.003 812 HG13 ILE 96 HG11 ILE 96 17.989 0.752 -3.886 813 HG21 ILE 96 HG21 ILE 96 18.888 3.049 -3.173 814 HG22 ILE 96 HG22 ILE 96 18.155 3.851 -1.784 815 HG23 ILE 96 HG23 ILE 96 17.244 3.675 -3.285 816 HD11 ILE 96 HD11 ILE 96 17.061 -0.906 -2.360 817 HD12 ILE 96 HD12 ILE 96 16.203 -0.882 -3.900 818 HD13 ILE 96 HD13 ILE 96 15.482 -0.131 -2.477 819 H ASN 97 HN ASN 97 17.736 2.713 0.693 820 HA ASN 97 HA ASN 97 19.742 4.675 0.459 821 HB2 ASN 97 HB2 ASN 97 17.856 4.025 2.723 822 HB3 ASN 97 HB1 ASN 97 18.945 5.407 2.747 823 HD21 ASN 97 HD21 ASN 97 18.684 5.960 -0.089 824 HD22 ASN 97 HD22 ASN 97 17.109 6.634 -0.311 825 H ARG 98 HN ARG 98 19.659 1.684 2.237 826 HA ARG 98 HA ARG 98 21.661 2.208 4.124 827 HB2 ARG 98 HB2 ARG 98 20.129 0.205 4.018 828 HB3 ARG 98 HB1 ARG 98 21.170 -0.438 2.759 829 HG2 ARG 98 HG2 ARG 98 23.023 -0.559 4.290 830 HG3 ARG 98 HG1 ARG 98 22.067 0.222 5.555 831 HD2 ARG 98 HD2 ARG 98 20.486 -1.651 5.497 832 HD3 ARG 98 HD1 ARG 98 21.461 -2.429 4.256 833 HE ARG 98 HE ARG 98 23.049 -1.890 6.520 834 HH11 ARG 98 HH11 ARG 98 20.500 -4.010 5.406 835 HH12 ARG 98 HH12 ARG 98 20.914 -5.294 6.498 836 HH21 ARG 98 HH21 ARG 98 23.621 -3.579 7.933 837 HH22 ARG 98 HH22 ARG 98 22.706 -5.050 7.932 838 H LYS 99 HN LYS 99 21.871 1.102 0.776 839 HA LYS 99 HA LYS 99 24.782 1.055 0.917 840 HB2 LYS 99 HB2 LYS 99 22.890 0.412 -1.349 841 HB3 LYS 99 HB1 LYS 99 24.638 0.286 -1.447 842 HG2 LYS 99 HG2 LYS 99 22.874 -1.276 0.424 843 HG3 LYS 99 HG1 LYS 99 23.581 -1.883 -1.072 844 HD2 LYS 99 HD2 LYS 99 25.135 -0.887 1.317 845 HD3 LYS 99 HD1 LYS 99 24.846 -2.580 0.928 846 HE2 LYS 99 HE2 LYS 99 26.351 -0.600 -0.779 847 HE3 LYS 99 HE1 LYS 99 27.068 -1.868 0.212 848 HZ1 LYS 99 HZ1 LYS 99 25.925 -3.515 -1.152 849 HZ2 LYS 99 HZ2 LYS 99 26.946 -2.543 -2.086 850 HZ3 LYS 99 HZ3 LYS 99 25.275 -2.287 -2.117 851 H SER 100 HN SER 100 22.179 2.855 -0.637 852 HA SER 100 HA SER 100 24.055 4.511 -2.095 853 HB2 SER 100 HB2 SER 100 21.035 4.648 -1.944 854 HB3 SER 100 HB1 SER 100 22.057 5.503 -3.101 855 HG SER 100 HG SER 100 22.440 3.673 -4.156 856 H ARG 101 HN ARG 101 23.679 4.579 0.955 857 HA ARG 101 HA ARG 101 22.773 7.241 1.507 858 HB2 ARG 101 HB2 ARG 101 23.710 6.867 3.758 859 HB3 ARG 101 HB1 ARG 101 22.697 5.523 3.251 860 HG2 ARG 101 HG2 ARG 101 24.673 4.229 2.680 861 HG3 ARG 101 HG1 ARG 101 25.702 5.583 3.142 862 HD2 ARG 101 HD2 ARG 101 24.633 5.415 5.439 863 HD3 ARG 101 HD1 ARG 101 23.975 3.867 4.902 864 HE ARG 101 HE ARG 101 26.864 4.376 4.760 865 HH11 ARG 101 HH11 ARG 101 24.179 2.527 6.049 866 HH12 ARG 101 HH12 ARG 101 25.196 1.282 6.700 867 HH21 ARG 101 HH21 ARG 101 28.190 2.745 5.611 868 HH22 ARG 101 HH22 ARG 101 27.480 1.400 6.452 869 H ASP 102 HN ASP 102 25.852 5.673 0.945 870 HA ASP 102 HA ASP 102 27.098 8.094 0.111 871 HB2 ASP 102 HB2 ASP 102 28.903 8.135 1.775 872 HB3 ASP 102 HB1 ASP 102 27.344 8.382 2.549 873 H ARG 103 HN ARG 103 28.941 7.673 -1.099 874 HA ARG 103 HA ARG 103 29.554 4.809 -1.460 875 HB2 ARG 103 HB2 ARG 103 28.207 5.784 -3.307 876 HB3 ARG 103 HB1 ARG 103 29.493 6.941 -3.601 877 HG2 ARG 103 HG2 ARG 103 31.014 5.085 -4.135 878 HG3 ARG 103 HG1 ARG 103 29.683 3.953 -3.891 879 HD2 ARG 103 HD2 ARG 103 28.429 5.023 -5.687 880 HD3 ARG 103 HD1 ARG 103 29.734 6.185 -5.920 881 HE ARG 103 HE ARG 103 30.855 3.663 -6.186 882 HH11 ARG 103 HH11 ARG 103 28.427 5.597 -7.806 883 HH12 ARG 103 HH12 ARG 103 28.695 4.866 -9.355 884 HH21 ARG 103 HH21 ARG 103 31.236 2.722 -8.229 885 HH22 ARG 103 HH22 ARG 103 30.298 3.230 -9.601 886 H GLY 104 HN GLY 104 30.738 7.899 -0.768 887 HA2 GLY 104 HA2 GLY 104 33.392 7.468 -1.846 888 HA3 GLY 104 HA1 GLY 104 32.845 8.872 -0.944 889 H ASP 105 HN ASP 105 35.255 8.028 -0.343 890 HA ASP 105 HA ASP 105 35.220 6.116 1.839 891 HB2 ASP 105 HB2 ASP 105 37.446 7.824 0.709 892 HB3 ASP 105 HB1 ASP 105 37.653 6.644 1.997 893 H GLN 106 HN GLN 106 34.207 9.114 1.583 894 HA GLN 106 HA GLN 106 35.334 10.855 3.302 895 HB2 GLN 106 HB2 GLN 106 32.359 10.343 3.212 896 HB3 GLN 106 HB1 GLN 106 33.167 11.861 3.581 897 HG2 GLN 106 HG2 GLN 106 33.942 12.071 1.325 898 HG3 GLN 106 HG1 GLN 106 33.348 10.462 0.923 899 HE21 GLN 106 HE21 GLN 106 31.616 12.791 2.887 900 HE22 GLN 106 HE22 GLN 106 30.334 13.064 1.760 901 H GLU 107 HN GLU 107 32.766 8.596 4.351 902 HA GLU 107 HA GLU 107 32.147 7.855 6.412 903 HB2 GLU 107 HB2 GLU 107 35.154 7.695 6.655 904 HB3 GLU 107 HB1 GLU 107 34.043 6.994 7.823 905 HG2 GLU 107 HG2 GLU 107 34.203 6.270 4.907 906 HG3 GLU 107 HG1 GLU 107 34.877 5.335 6.240 907 H VAL 108 HN VAL 108 31.841 10.492 6.338 908 HA VAL 108 HA VAL 108 32.994 11.521 8.846 909 HB VAL 108 HB VAL 108 32.430 13.790 7.970 910 HG11 VAL 108 HG11 VAL 108 34.267 12.135 6.242 911 HG12 VAL 108 HG12 VAL 108 34.692 12.928 7.759 912 HG13 VAL 108 HG13 VAL 108 34.270 13.894 6.346 913 HG21 VAL 108 HG21 VAL 108 31.927 14.063 5.596 914 HG22 VAL 108 HG22 VAL 108 30.666 13.131 6.405 915 HG23 VAL 108 HG23 VAL 108 31.862 12.311 5.401 916 H PHE 109 HN PHE 109 30.620 9.792 8.437 917 HA PHE 109 HA PHE 109 28.543 11.600 9.492 918 HB2 PHE 109 HB2 PHE 109 28.054 8.955 8.113 919 HB3 PHE 109 HB1 PHE 109 26.872 10.199 8.502 920 HD1 PHE 109 HD1 PHE 109 27.242 12.510 7.371 921 HD2 PHE 109 HD2 PHE 109 28.975 8.875 5.996 922 HE1 PHE 109 HE1 PHE 109 27.568 13.509 5.147 923 HE2 PHE 109 HE2 PHE 109 29.302 9.867 3.768 924 HZ PHE 109 HZ PHE 109 28.598 12.186 3.342 925 H VAL 110 HN VAL 110 30.752 10.017 10.767 926 HA VAL 110 HA VAL 110 29.170 8.253 12.483 927 HB VAL 110 HB VAL 110 31.068 7.113 11.593 928 HG11 VAL 110 HG11 VAL 110 32.778 9.375 12.607 929 HG12 VAL 110 HG12 VAL 110 32.432 8.994 10.922 930 HG13 VAL 110 HG13 VAL 110 33.379 7.875 11.902 931 HG21 VAL 110 HG21 VAL 110 32.309 6.490 13.609 932 HG22 VAL 110 HG22 VAL 110 30.577 6.613 13.918 933 HG23 VAL 110 HG23 VAL 110 31.660 7.903 14.440 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 2.075 14.398 -6.975 2 H2 MET 1 HT2 MET 1 3.291 13.998 -5.873 3 H3 MET 1 HT3 MET 1 2.837 15.612 -6.079 4 HA MET 1 HA MET 1 1.939 14.702 -4.036 5 HB2 MET 1 HB2 MET 1 -0.147 15.229 -6.163 6 HB3 MET 1 HB1 MET 1 -0.429 15.289 -4.432 7 HG2 MET 1 HG2 MET 1 1.424 17.081 -5.982 8 HG3 MET 1 HG1 MET 1 -0.170 17.511 -5.367 9 HE1 MET 1 HE1 MET 1 2.171 19.603 -3.053 10 HE2 MET 1 HE2 MET 1 0.775 19.635 -4.130 11 HE3 MET 1 HE3 MET 1 2.377 19.275 -4.774 12 H ILE 2 HN ILE 2 -0.159 13.438 -3.337 13 HA ILE 2 HA ILE 2 0.171 10.731 -4.450 14 HB ILE 2 HB ILE 2 -0.430 9.845 -2.301 15 HG12 ILE 2 HG12 ILE 2 -0.863 12.707 -1.403 16 HG13 ILE 2 HG11 ILE 2 -2.144 11.537 -1.706 17 HG21 ILE 2 HG21 ILE 2 1.894 10.601 -2.640 18 HG22 ILE 2 HG22 ILE 2 1.401 10.658 -0.949 19 HG23 ILE 2 HG23 ILE 2 1.477 12.140 -1.896 20 HD11 ILE 2 HD11 ILE 2 -0.008 11.297 0.400 21 HD12 ILE 2 HD12 ILE 2 -1.312 10.146 0.108 22 HD13 ILE 2 HD13 ILE 2 -1.682 11.776 0.670 23 H ARG 3 HN ARG 3 -1.652 9.474 -4.921 24 HA ARG 3 HA ARG 3 -4.258 10.697 -4.587 25 HB2 ARG 3 HB2 ARG 3 -2.931 9.659 -7.033 26 HB3 ARG 3 HB1 ARG 3 -4.640 9.586 -6.865 27 HG2 ARG 3 HG2 ARG 3 -4.742 12.015 -6.591 28 HG3 ARG 3 HG1 ARG 3 -2.987 12.082 -6.762 29 HD2 ARG 3 HD2 ARG 3 -4.089 12.668 -8.854 30 HD3 ARG 3 HD1 ARG 3 -3.172 11.173 -9.024 31 HE ARG 3 HE ARG 3 -5.501 10.115 -8.562 32 HH11 ARG 3 HH11 ARG 3 -4.882 13.009 -10.446 33 HH12 ARG 3 HH12 ARG 3 -6.268 12.788 -11.463 34 HH21 ARG 3 HH21 ARG 3 -7.301 9.817 -9.897 35 HH22 ARG 3 HH22 ARG 3 -7.657 10.977 -11.141 36 H PHE 4 HN PHE 4 -5.962 9.126 -4.975 37 HA PHE 4 HA PHE 4 -5.217 6.348 -4.434 38 HB2 PHE 4 HB2 PHE 4 -6.964 6.103 -2.822 39 HB3 PHE 4 HB1 PHE 4 -6.034 7.527 -2.384 40 HD1 PHE 4 HD1 PHE 4 -6.987 9.811 -2.979 41 HD2 PHE 4 HD2 PHE 4 -9.263 6.222 -3.107 42 HE1 PHE 4 HE1 PHE 4 -9.064 11.125 -2.859 43 HE2 PHE 4 HE2 PHE 4 -11.341 7.528 -2.994 44 HZ PHE 4 HZ PHE 4 -11.244 9.982 -2.868 45 H GLU 5 HN GLU 5 -5.891 5.095 -6.030 46 HA GLU 5 HA GLU 5 -8.158 6.052 -7.649 47 HB2 GLU 5 HB2 GLU 5 -5.745 4.479 -8.601 48 HB3 GLU 5 HB1 GLU 5 -7.087 5.008 -9.603 49 HG2 GLU 5 HG2 GLU 5 -5.108 6.789 -8.201 50 HG3 GLU 5 HG1 GLU 5 -5.152 6.426 -9.926 51 H ILE 6 HN ILE 6 -9.525 4.951 -6.388 52 HA ILE 6 HA ILE 6 -9.198 2.071 -6.130 53 HB ILE 6 HB ILE 6 -11.142 4.018 -4.909 54 HG12 ILE 6 HG12 ILE 6 -8.868 2.530 -3.598 55 HG13 ILE 6 HG11 ILE 6 -8.734 4.172 -4.212 56 HG21 ILE 6 HG21 ILE 6 -11.898 2.198 -3.464 57 HG22 ILE 6 HG22 ILE 6 -10.742 1.092 -4.196 58 HG23 ILE 6 HG23 ILE 6 -12.098 1.694 -5.146 59 HD11 ILE 6 HD11 ILE 6 -10.471 3.190 -1.970 60 HD12 ILE 6 HD12 ILE 6 -10.576 4.807 -2.664 61 HD13 ILE 6 HD13 ILE 6 -9.087 4.284 -1.875 62 H HIS 7 HN HIS 7 -10.535 0.677 -6.975 63 HA HIS 7 HA HIS 7 -13.054 1.594 -8.193 64 HB2 HIS 7 HB2 HIS 7 -11.052 -0.358 -9.244 65 HB3 HIS 7 HB1 HIS 7 -12.763 -0.571 -9.583 66 HD1 HIS 7 HD1 HIS 7 -10.051 0.566 -11.344 67 HD2 HIS 7 HD2 HIS 7 -13.669 2.378 -10.406 68 HE1 HIS 7 HE1 HIS 7 -10.331 2.420 -13.014 69 HE2 HIS 7 HE2 HIS 7 -12.439 3.610 -12.319 70 H GLY 8 HN GLY 8 -14.242 1.057 -6.383 71 HA2 GLY 8 HA2 GLY 8 -13.648 -1.614 -5.468 72 HA3 GLY 8 HA1 GLY 8 -14.319 -0.370 -4.419 73 H ASP 9 HN ASP 9 -15.081 -3.165 -5.904 74 HA ASP 9 HA ASP 9 -17.871 -2.457 -6.441 75 HB2 ASP 9 HB2 ASP 9 -16.290 -4.986 -6.935 76 HB3 ASP 9 HB1 ASP 9 -18.026 -4.872 -7.190 77 H ASN 10 HN ASN 10 -17.920 -1.974 -4.070 78 HA ASN 10 HA ASN 10 -18.119 -4.360 -2.374 79 HB2 ASN 10 HB2 ASN 10 -16.835 -2.131 -1.789 80 HB3 ASN 10 HB1 ASN 10 -18.440 -1.547 -1.369 81 HD21 ASN 10 HD21 ASN 10 -19.502 -2.432 0.426 82 HD22 ASN 10 HD22 ASN 10 -18.660 -3.370 1.606 83 H LEU 11 HN LEU 11 -19.989 -2.826 -4.427 84 HA LEU 11 HA LEU 11 -22.208 -2.747 -4.844 85 HB2 LEU 11 HB2 LEU 11 -22.545 -4.055 -2.145 86 HB3 LEU 11 HB1 LEU 11 -23.823 -3.817 -3.323 87 HG LEU 11 HG LEU 11 -21.385 -5.564 -3.682 88 HD11 LEU 11 HD11 LEU 11 -23.019 -6.498 -2.134 89 HD12 LEU 11 HD12 LEU 11 -22.984 -7.405 -3.647 90 HD13 LEU 11 HD13 LEU 11 -24.294 -6.267 -3.332 91 HD21 LEU 11 HD21 LEU 11 -22.509 -6.290 -5.757 92 HD22 LEU 11 HD22 LEU 11 -22.017 -4.598 -5.797 93 HD23 LEU 11 HD23 LEU 11 -23.707 -5.017 -5.523 94 H THR 12 HN THR 12 -21.297 -1.800 -1.574 95 HA THR 12 HA THR 12 -22.564 0.785 -2.085 96 HB THR 12 HB THR 12 -22.861 -0.715 0.530 97 HG1 THR 12 HG1 THR 12 -24.472 -0.469 -1.746 98 HG21 THR 12 HG21 THR 12 -24.017 1.926 -0.384 99 HG22 THR 12 HG22 THR 12 -22.740 1.721 0.816 100 HG23 THR 12 HG23 THR 12 -24.365 1.123 1.147 101 H ILE 13 HN ILE 13 -20.461 1.557 -2.475 102 HA ILE 13 HA ILE 13 -18.555 1.475 -0.281 103 HB ILE 13 HB ILE 13 -17.171 2.964 -1.860 104 HG12 ILE 13 HG12 ILE 13 -17.771 2.427 -4.312 105 HG13 ILE 13 HG11 ILE 13 -19.385 2.082 -3.705 106 HG21 ILE 13 HG21 ILE 13 -16.643 0.654 -1.401 107 HG22 ILE 13 HG22 ILE 13 -16.373 1.013 -3.105 108 HG23 ILE 13 HG23 ILE 13 -17.810 0.121 -2.610 109 HD11 ILE 13 HD11 ILE 13 -19.516 4.367 -2.827 110 HD12 ILE 13 HD12 ILE 13 -19.272 4.322 -4.572 111 HD13 ILE 13 HD13 ILE 13 -17.922 4.701 -3.502 112 H THR 14 HN THR 14 -17.670 3.407 0.657 113 HA THR 14 HA THR 14 -19.420 5.752 0.463 114 HB THR 14 HB THR 14 -19.228 5.975 2.980 115 HG1 THR 14 HG1 THR 14 -18.642 3.190 2.899 116 HG21 THR 14 HG21 THR 14 -21.314 5.271 1.943 117 HG22 THR 14 HG22 THR 14 -21.054 4.385 3.444 118 HG23 THR 14 HG23 THR 14 -20.748 3.601 1.895 119 H ASP 15 HN ASP 15 -18.435 7.662 1.594 120 HA ASP 15 HA ASP 15 -15.757 8.019 0.684 121 HB2 ASP 15 HB2 ASP 15 -17.538 9.799 2.356 122 HB3 ASP 15 HB1 ASP 15 -15.949 10.272 1.772 123 H ALA 16 HN ALA 16 -17.101 6.748 3.470 124 HA ALA 16 HA ALA 16 -15.380 7.295 5.556 125 HB1 ALA 16 HB1 ALA 16 -16.409 4.574 4.759 126 HB2 ALA 16 HB2 ALA 16 -17.373 5.793 5.610 127 HB3 ALA 16 HB3 ALA 16 -15.948 5.094 6.385 128 H ILE 17 HN ILE 17 -15.091 4.650 3.252 129 HA ILE 17 HA ILE 17 -12.509 3.808 4.032 130 HB ILE 17 HB ILE 17 -14.177 3.405 1.579 131 HG12 ILE 17 HG12 ILE 17 -14.012 0.963 2.581 132 HG13 ILE 17 HG11 ILE 17 -13.590 1.827 4.058 133 HG21 ILE 17 HG21 ILE 17 -11.498 2.151 2.192 134 HG22 ILE 17 HG22 ILE 17 -11.882 3.224 0.846 135 HG23 ILE 17 HG23 ILE 17 -12.587 1.609 0.916 136 HD11 ILE 17 HD11 ILE 17 -15.693 2.982 4.034 137 HD12 ILE 17 HD12 ILE 17 -15.977 1.248 3.904 138 HD13 ILE 17 HD13 ILE 17 -16.110 2.273 2.476 139 H ARG 18 HN ARG 18 -13.768 5.846 1.467 140 HA ARG 18 HA ARG 18 -11.482 6.268 0.030 141 HB2 ARG 18 HB2 ARG 18 -13.704 8.232 0.623 142 HB3 ARG 18 HB1 ARG 18 -12.452 8.509 -0.576 143 HG2 ARG 18 HG2 ARG 18 -13.220 6.542 -1.821 144 HG3 ARG 18 HG1 ARG 18 -14.497 6.301 -0.624 145 HD2 ARG 18 HD2 ARG 18 -15.437 8.480 -1.164 146 HD3 ARG 18 HD1 ARG 18 -14.141 8.772 -2.317 147 HE ARG 18 HE ARG 18 -15.178 6.544 -3.311 148 HH11 ARG 18 HH11 ARG 18 -16.821 9.373 -2.046 149 HH12 ARG 18 HH12 ARG 18 -18.140 9.256 -3.176 150 HH21 ARG 18 HH21 ARG 18 -16.911 6.403 -4.793 151 HH22 ARG 18 HH22 ARG 18 -18.187 7.579 -4.733 152 H ASN 19 HN ASN 19 -12.802 8.150 2.706 153 HA ASN 19 HA ASN 19 -10.613 9.775 3.286 154 HB2 ASN 19 HB2 ASN 19 -12.998 8.791 4.754 155 HB3 ASN 19 HB1 ASN 19 -11.693 9.434 5.735 156 HD21 ASN 19 HD21 ASN 19 -11.142 11.628 5.539 157 HD22 ASN 19 HD22 ASN 19 -12.216 12.765 4.794 158 H TYR 20 HN TYR 20 -11.493 6.597 4.624 159 HA TYR 20 HA TYR 20 -9.544 6.213 6.494 160 HB2 TYR 20 HB2 TYR 20 -11.426 4.599 5.684 161 HB3 TYR 20 HB1 TYR 20 -10.212 4.008 4.559 162 HD1 TYR 20 HD1 TYR 20 -11.595 3.604 7.766 163 HD2 TYR 20 HD2 TYR 20 -7.916 3.297 5.650 164 HE1 TYR 20 HE1 TYR 20 -10.727 2.093 9.498 165 HE2 TYR 20 HE2 TYR 20 -7.042 1.784 7.382 166 HH TYR 20 HH TYR 20 -9.030 0.348 9.739 167 H ILE 21 HN ILE 21 -9.251 5.806 2.979 168 HA ILE 21 HA ILE 21 -6.596 4.644 3.271 169 HB ILE 21 HB ILE 21 -8.329 5.264 0.883 170 HG12 ILE 21 HG12 ILE 21 -7.656 2.650 2.264 171 HG13 ILE 21 HG11 ILE 21 -9.219 3.456 2.256 172 HG21 ILE 21 HG21 ILE 21 -5.983 5.364 0.251 173 HG22 ILE 21 HG22 ILE 21 -6.728 3.919 -0.429 174 HG23 ILE 21 HG23 ILE 21 -5.691 3.791 0.991 175 HD11 ILE 21 HD11 ILE 21 -9.409 3.071 -0.138 176 HD12 ILE 21 HD12 ILE 21 -9.183 1.560 0.742 177 HD13 ILE 21 HD13 ILE 21 -7.834 2.277 -0.139 178 H GLU 22 HN GLU 22 -8.312 7.500 2.421 179 HA GLU 22 HA GLU 22 -6.369 8.748 0.925 180 HB2 GLU 22 HB2 GLU 22 -8.645 9.555 0.876 181 HB3 GLU 22 HB1 GLU 22 -8.600 9.882 2.600 182 HG2 GLU 22 HG2 GLU 22 -8.402 11.977 1.660 183 HG3 GLU 22 HG1 GLU 22 -6.734 11.549 2.023 184 H GLU 23 HN GLU 23 -7.211 8.780 4.265 185 HA GLU 23 HA GLU 23 -5.223 10.757 4.951 186 HB2 GLU 23 HB2 GLU 23 -7.053 9.293 6.834 187 HB3 GLU 23 HB1 GLU 23 -6.365 10.907 7.005 188 HG2 GLU 23 HG2 GLU 23 -7.741 11.733 5.204 189 HG3 GLU 23 HG1 GLU 23 -8.370 10.099 4.889 190 H LYS 24 HN LYS 24 -5.823 7.260 5.473 191 HA LYS 24 HA LYS 24 -3.644 6.962 7.264 192 HB2 LYS 24 HB2 LYS 24 -5.497 5.305 6.887 193 HB3 LYS 24 HB1 LYS 24 -4.718 4.877 5.373 194 HG2 LYS 24 HG2 LYS 24 -2.799 4.039 6.510 195 HG3 LYS 24 HG1 LYS 24 -3.354 4.698 8.049 196 HD2 LYS 24 HD2 LYS 24 -5.370 3.188 7.819 197 HD3 LYS 24 HD1 LYS 24 -4.526 2.416 6.476 198 HE2 LYS 24 HE2 LYS 24 -4.173 1.165 8.524 199 HE3 LYS 24 HE1 LYS 24 -2.659 1.877 7.971 200 HZ1 LYS 24 HZ1 LYS 24 -4.396 3.009 10.099 201 HZ2 LYS 24 HZ2 LYS 24 -2.900 3.617 9.603 202 HZ3 LYS 24 HZ3 LYS 24 -2.987 2.115 10.369 203 H ILE 25 HN ILE 25 -3.905 6.315 3.749 204 HA ILE 25 HA ILE 25 -1.166 5.868 3.295 205 HB ILE 25 HB ILE 25 -3.257 7.004 1.428 206 HG12 ILE 25 HG12 ILE 25 -3.699 4.708 2.216 207 HG13 ILE 25 HG11 ILE 25 -3.345 4.753 0.493 208 HG21 ILE 25 HG21 ILE 25 -0.491 5.990 0.782 209 HG22 ILE 25 HG22 ILE 25 -1.049 7.658 0.658 210 HG23 ILE 25 HG23 ILE 25 -1.726 6.421 -0.401 211 HD11 ILE 25 HD11 ILE 25 -2.271 2.859 1.517 212 HD12 ILE 25 HD12 ILE 25 -1.467 3.905 2.684 213 HD13 ILE 25 HD13 ILE 25 -1.050 4.010 0.974 214 H GLY 26 HN GLY 26 -3.123 8.823 3.315 215 HA2 GLY 26 HA2 GLY 26 -1.176 10.683 2.665 216 HA3 GLY 26 HA1 GLY 26 -2.506 10.980 3.772 217 H LYS 27 HN LYS 27 -1.674 9.021 5.792 218 HA LYS 27 HA LYS 27 0.163 10.833 7.078 219 HB2 LYS 27 HB2 LYS 27 -1.716 8.765 7.948 220 HB3 LYS 27 HB1 LYS 27 -0.226 8.813 8.879 221 HG2 LYS 27 HG2 LYS 27 -1.950 10.183 9.907 222 HG3 LYS 27 HG1 LYS 27 -0.593 11.172 9.365 223 HD2 LYS 27 HD2 LYS 27 -1.886 11.712 7.311 224 HD3 LYS 27 HD1 LYS 27 -3.256 10.833 7.990 225 HE2 LYS 27 HE2 LYS 27 -3.246 12.365 9.919 226 HE3 LYS 27 HE1 LYS 27 -1.920 13.261 9.181 227 HZ1 LYS 27 HZ1 LYS 27 -4.644 12.931 8.045 228 HZ2 LYS 27 HZ2 LYS 27 -3.370 13.753 7.298 229 HZ3 LYS 27 HZ3 LYS 27 -4.018 14.336 8.746 230 H LEU 28 HN LEU 28 0.102 7.703 5.637 231 HA LEU 28 HA LEU 28 2.681 6.917 6.591 232 HB2 LEU 28 HB2 LEU 28 1.249 5.934 4.146 233 HB3 LEU 28 HB1 LEU 28 2.480 5.089 5.078 234 HG LEU 28 HG LEU 28 -0.174 5.936 6.208 235 HD11 LEU 28 HD11 LEU 28 0.663 3.248 5.071 236 HD12 LEU 28 HD12 LEU 28 -0.555 4.332 4.403 237 HD13 LEU 28 HD13 LEU 28 -0.827 3.555 5.960 238 HD21 LEU 28 HD21 LEU 28 0.383 4.282 7.950 239 HD22 LEU 28 HD22 LEU 28 1.571 5.582 7.858 240 HD23 LEU 28 HD23 LEU 28 1.940 3.999 7.174 241 H GLU 29 HN GLU 29 1.478 8.638 3.810 242 HA GLU 29 HA GLU 29 4.030 8.701 2.463 243 HB2 GLU 29 HB2 GLU 29 1.274 9.287 1.837 244 HB3 GLU 29 HB1 GLU 29 2.315 10.605 1.325 245 HG2 GLU 29 HG2 GLU 29 2.917 7.756 0.623 246 HG3 GLU 29 HG1 GLU 29 1.838 8.753 -0.352 247 H ARG 30 HN ARG 30 2.296 10.665 4.737 248 HA ARG 30 HA ARG 30 3.435 13.145 4.229 249 HB2 ARG 30 HB2 ARG 30 2.060 11.918 6.461 250 HB3 ARG 30 HB1 ARG 30 3.097 13.258 6.905 251 HG2 ARG 30 HG2 ARG 30 1.909 14.593 5.128 252 HG3 ARG 30 HG1 ARG 30 0.761 13.258 5.013 253 HD2 ARG 30 HD2 ARG 30 -0.028 15.051 6.507 254 HD3 ARG 30 HD1 ARG 30 0.178 13.513 7.347 255 HE ARG 30 HE ARG 30 2.556 14.815 7.702 256 HH11 ARG 30 HH11 ARG 30 -0.786 15.610 8.365 257 HH12 ARG 30 HH12 ARG 30 -0.411 16.561 9.765 258 HH21 ARG 30 HH21 ARG 30 3.050 16.067 9.533 259 HH22 ARG 30 HH22 ARG 30 1.773 16.829 10.426 260 H TYR 31 HN TYR 31 5.094 10.414 5.291 261 HA TYR 31 HA TYR 31 7.106 11.738 6.816 262 HB2 TYR 31 HB2 TYR 31 7.179 9.146 5.257 263 HB3 TYR 31 HB1 TYR 31 8.509 9.727 6.253 264 HD1 TYR 31 HD1 TYR 31 7.931 10.258 8.733 265 HD2 TYR 31 HD2 TYR 31 5.553 7.782 6.227 266 HE1 TYR 31 HE1 TYR 31 6.922 9.229 10.722 267 HE2 TYR 31 HE2 TYR 31 4.533 6.745 8.209 268 HH TYR 31 HH TYR 31 5.073 6.388 10.589 269 H PHE 32 HN PHE 32 6.287 11.626 3.525 270 HA PHE 32 HA PHE 32 8.870 12.762 2.715 271 HB2 PHE 32 HB2 PHE 32 6.779 11.942 0.778 272 HB3 PHE 32 HB1 PHE 32 8.520 11.857 0.645 273 HD1 PHE 32 HD1 PHE 32 9.370 10.255 2.902 274 HD2 PHE 32 HD2 PHE 32 5.971 9.786 0.382 275 HE1 PHE 32 HE1 PHE 32 9.338 7.851 3.397 276 HE2 PHE 32 HE2 PHE 32 5.932 7.382 0.889 277 HZ PHE 32 HZ PHE 32 7.615 6.411 2.395 278 H ASN 33 HN ASN 33 8.685 14.586 1.185 279 HA ASN 33 HA ASN 33 5.991 15.687 1.167 280 HB2 ASN 33 HB2 ASN 33 7.263 17.131 2.605 281 HB3 ASN 33 HB1 ASN 33 8.576 17.230 1.437 282 HD21 ASN 33 HD21 ASN 33 8.439 18.657 -0.242 283 HD22 ASN 33 HD22 ASN 33 7.170 19.821 -0.405 284 H ASP 34 HN ASP 34 9.015 15.482 -0.608 285 HA ASP 34 HA ASP 34 7.965 16.748 -2.876 286 HB2 ASP 34 HB2 ASP 34 10.597 15.436 -2.344 287 HB3 ASP 34 HB1 ASP 34 10.190 16.124 -3.913 288 H VAL 35 HN VAL 35 6.657 14.307 -2.057 289 HA VAL 35 HA VAL 35 7.287 12.129 -3.703 290 HB VAL 35 HB VAL 35 5.829 11.772 -1.845 291 HG11 VAL 35 HG11 VAL 35 3.541 12.713 -1.774 292 HG12 VAL 35 HG12 VAL 35 3.952 13.729 -3.155 293 HG13 VAL 35 HG13 VAL 35 4.805 13.933 -1.626 294 HG21 VAL 35 HG21 VAL 35 5.427 10.303 -3.728 295 HG22 VAL 35 HG22 VAL 35 4.285 11.453 -4.416 296 HG23 VAL 35 HG23 VAL 35 3.914 10.642 -2.895 297 HA PRO 36 HA PRO 36 5.985 13.830 -7.667 298 HB2 PRO 36 HB2 PRO 36 6.619 11.085 -8.545 299 HB3 PRO 36 HB1 PRO 36 7.260 12.624 -9.126 300 HG2 PRO 36 HG2 PRO 36 8.749 10.952 -7.655 301 HG3 PRO 36 HG1 PRO 36 8.890 12.713 -7.490 302 HD2 PRO 36 HD2 PRO 36 7.464 10.752 -5.735 303 HD3 PRO 36 HD1 PRO 36 8.446 12.162 -5.285 304 H ASN 37 HN ASN 37 5.273 10.426 -6.825 305 HA ASN 37 HA ASN 37 2.439 10.890 -7.024 306 HB2 ASN 37 HB2 ASN 37 2.932 10.610 -9.383 307 HB3 ASN 37 HB1 ASN 37 3.838 9.138 -9.057 308 HD21 ASN 37 HD21 ASN 37 0.697 10.564 -9.351 309 HD22 ASN 37 HD22 ASN 37 -0.197 9.084 -9.361 310 H ALA 38 HN ALA 38 1.633 9.797 -5.365 311 HA ALA 38 HA ALA 38 2.492 6.995 -5.026 312 HB1 ALA 38 HB1 ALA 38 3.278 8.496 -3.157 313 HB2 ALA 38 HB2 ALA 38 2.262 7.142 -2.662 314 HB3 ALA 38 HB3 ALA 38 1.579 8.762 -2.762 315 H VAL 39 HN VAL 39 0.837 5.690 -5.553 316 HA VAL 39 HA VAL 39 -1.872 6.799 -5.500 317 HB VAL 39 HB VAL 39 -0.266 5.232 -7.449 318 HG11 VAL 39 HG11 VAL 39 -3.247 4.975 -7.410 319 HG12 VAL 39 HG12 VAL 39 -2.136 3.763 -6.753 320 HG13 VAL 39 HG13 VAL 39 -2.092 4.171 -8.478 321 HG21 VAL 39 HG21 VAL 39 -1.522 6.600 -9.055 322 HG22 VAL 39 HG22 VAL 39 -0.652 7.555 -7.860 323 HG23 VAL 39 HG23 VAL 39 -2.397 7.336 -7.712 324 H ALA 40 HN ALA 40 -3.566 5.387 -4.889 325 HA ALA 40 HA ALA 40 -2.795 2.628 -4.166 326 HB1 ALA 40 HB1 ALA 40 -4.935 4.332 -2.867 327 HB2 ALA 40 HB2 ALA 40 -3.388 3.886 -2.146 328 HB3 ALA 40 HB3 ALA 40 -4.593 2.644 -2.489 329 H HIS 41 HN HIS 41 -3.267 1.872 -6.204 330 HA HIS 41 HA HIS 41 -5.928 2.170 -7.315 331 HB2 HIS 41 HB2 HIS 41 -4.036 2.018 -8.847 332 HB3 HIS 41 HB1 HIS 41 -3.554 0.485 -8.147 333 HD1 HIS 41 HD1 HIS 41 -4.043 -1.324 -9.749 334 HD2 HIS 41 HD2 HIS 41 -6.986 1.610 -9.795 335 HE1 HIS 41 HE1 HIS 41 -5.753 -2.111 -11.412 336 HE2 HIS 41 HE2 HIS 41 -7.460 -0.262 -11.514 337 H VAL 42 HN VAL 42 -7.386 1.234 -5.940 338 HA VAL 42 HA VAL 42 -6.820 -1.505 -4.964 339 HB VAL 42 HB VAL 42 -7.739 1.032 -3.700 340 HG11 VAL 42 HG11 VAL 42 -8.556 -1.677 -2.735 341 HG12 VAL 42 HG12 VAL 42 -9.620 -0.467 -3.454 342 HG13 VAL 42 HG13 VAL 42 -8.833 -0.143 -1.907 343 HG21 VAL 42 HG21 VAL 42 -6.128 -1.331 -2.807 344 HG22 VAL 42 HG22 VAL 42 -6.386 0.132 -1.851 345 HG23 VAL 42 HG23 VAL 42 -5.472 0.217 -3.367 346 H LYS 43 HN LYS 43 -8.546 -2.790 -4.741 347 HA LYS 43 HA LYS 43 -11.146 -2.004 -5.863 348 HB2 LYS 43 HB2 LYS 43 -10.079 -2.824 -7.840 349 HB3 LYS 43 HB1 LYS 43 -9.370 -4.184 -6.990 350 HG2 LYS 43 HG2 LYS 43 -11.480 -5.269 -6.794 351 HG3 LYS 43 HG1 LYS 43 -12.333 -3.831 -7.356 352 HD2 LYS 43 HD2 LYS 43 -10.342 -5.338 -9.039 353 HD3 LYS 43 HD1 LYS 43 -12.072 -5.678 -9.048 354 HE2 LYS 43 HE2 LYS 43 -10.753 -3.065 -9.767 355 HE3 LYS 43 HE1 LYS 43 -11.494 -4.204 -10.887 356 HZ1 LYS 43 HZ1 LYS 43 -12.877 -2.616 -8.792 357 HZ2 LYS 43 HZ2 LYS 43 -13.624 -3.819 -9.713 358 HZ3 LYS 43 HZ3 LYS 43 -13.019 -2.434 -10.469 359 H VAL 44 HN VAL 44 -12.789 -3.369 -5.218 360 HA VAL 44 HA VAL 44 -12.183 -5.531 -3.359 361 HB VAL 44 HB VAL 44 -12.495 -3.304 -2.100 362 HG11 VAL 44 HG11 VAL 44 -14.809 -2.574 -1.832 363 HG12 VAL 44 HG12 VAL 44 -15.305 -3.804 -3.005 364 HG13 VAL 44 HG13 VAL 44 -14.274 -2.458 -3.516 365 HG21 VAL 44 HG21 VAL 44 -14.421 -5.543 -1.489 366 HG22 VAL 44 HG22 VAL 44 -13.860 -4.313 -0.356 367 HG23 VAL 44 HG23 VAL 44 -12.726 -5.491 -1.013 368 H LYS 45 HN LYS 45 -14.126 -6.786 -2.986 369 HA LYS 45 HA LYS 45 -16.423 -6.492 -4.683 370 HB2 LYS 45 HB2 LYS 45 -14.349 -8.624 -5.221 371 HB3 LYS 45 HB1 LYS 45 -16.032 -8.839 -5.675 372 HG2 LYS 45 HG2 LYS 45 -15.877 -6.848 -7.107 373 HG3 LYS 45 HG1 LYS 45 -14.172 -6.691 -6.675 374 HD2 LYS 45 HD2 LYS 45 -13.724 -8.890 -7.642 375 HD3 LYS 45 HD1 LYS 45 -15.431 -9.069 -8.048 376 HE2 LYS 45 HE2 LYS 45 -15.258 -7.074 -9.493 377 HE3 LYS 45 HE1 LYS 45 -13.537 -6.990 -9.132 378 HZ1 LYS 45 HZ1 LYS 45 -13.940 -8.094 -11.236 379 HZ2 LYS 45 HZ2 LYS 45 -14.910 -9.253 -10.477 380 HZ3 LYS 45 HZ3 LYS 45 -13.257 -9.175 -10.126 381 H THR 46 HN THR 46 -17.989 -7.040 -3.270 382 HA THR 46 HA THR 46 -17.656 -9.537 -1.807 383 HB THR 46 HB THR 46 -16.922 -7.958 -0.171 384 HG1 THR 46 HG1 THR 46 -18.266 -8.565 1.426 385 HG21 THR 46 HG21 THR 46 -17.834 -5.907 -1.082 386 HG22 THR 46 HG22 THR 46 -18.328 -6.089 0.601 387 HG23 THR 46 HG23 THR 46 -19.472 -6.434 -0.697 388 H TYR 47 HN TYR 47 -19.200 -10.603 -2.882 389 HA TYR 47 HA TYR 47 -21.901 -9.454 -2.854 390 HB2 TYR 47 HB2 TYR 47 -20.813 -11.811 -4.420 391 HB3 TYR 47 HB1 TYR 47 -22.454 -11.177 -4.533 392 HD1 TYR 47 HD1 TYR 47 -22.925 -9.181 -5.790 393 HD2 TYR 47 HD2 TYR 47 -18.914 -10.511 -5.305 394 HE1 TYR 47 HE1 TYR 47 -22.197 -7.602 -7.530 395 HE2 TYR 47 HE2 TYR 47 -18.175 -8.937 -7.041 396 HH TYR 47 HH TYR 47 -20.142 -6.432 -8.211 397 H SER 48 HN SER 48 -21.585 -9.893 -0.533 398 HA SER 48 HA SER 48 -23.177 -12.009 0.368 399 HB2 SER 48 HB2 SER 48 -20.198 -12.346 0.829 400 HB3 SER 48 HB1 SER 48 -21.416 -13.131 1.826 401 HG SER 48 HG SER 48 -21.823 -13.496 -0.856 402 H ASN 49 HN ASN 49 -22.642 -12.077 3.024 403 HA ASN 49 HA ASN 49 -22.978 -9.276 3.722 404 HB2 ASN 49 HB2 ASN 49 -24.547 -10.850 4.678 405 HB3 ASN 49 HB1 ASN 49 -23.235 -11.786 5.381 406 HD21 ASN 49 HD21 ASN 49 -25.105 -8.869 5.590 407 HD22 ASN 49 HD22 ASN 49 -24.593 -8.415 7.179 408 H SER 50 HN SER 50 -20.741 -11.917 4.519 409 HA SER 50 HA SER 50 -19.204 -10.008 6.112 410 HB2 SER 50 HB2 SER 50 -20.243 -12.008 7.286 411 HB3 SER 50 HB1 SER 50 -19.094 -13.006 6.397 412 HG SER 50 HG SER 50 -17.410 -12.033 7.459 413 H ALA 51 HN ALA 51 -19.098 -10.878 3.216 414 HA ALA 51 HA ALA 51 -16.463 -12.087 2.976 415 HB1 ALA 51 HB1 ALA 51 -18.617 -11.370 1.071 416 HB2 ALA 51 HB2 ALA 51 -17.699 -12.875 1.220 417 HB3 ALA 51 HB3 ALA 51 -16.957 -11.441 0.474 418 H THR 52 HN THR 52 -14.759 -11.137 1.792 419 HA THR 52 HA THR 52 -15.219 -8.798 0.446 420 HB THR 52 HB THR 52 -13.072 -8.675 2.571 421 HG1 THR 52 HG1 THR 52 -15.368 -8.141 3.110 422 HG21 THR 52 HG21 THR 52 -13.737 -6.840 0.292 423 HG22 THR 52 HG22 THR 52 -12.203 -7.639 0.641 424 HG23 THR 52 HG23 THR 52 -12.779 -6.337 1.676 425 H LYS 53 HN LYS 53 -14.128 -8.860 -1.452 426 HA LYS 53 HA LYS 53 -11.528 -10.221 -1.420 427 HB2 LYS 53 HB2 LYS 53 -13.200 -11.478 -2.768 428 HB3 LYS 53 HB1 LYS 53 -13.457 -10.045 -3.749 429 HG2 LYS 53 HG2 LYS 53 -11.147 -10.142 -4.520 430 HG3 LYS 53 HG1 LYS 53 -10.866 -11.562 -3.513 431 HD2 LYS 53 HD2 LYS 53 -11.259 -12.246 -5.801 432 HD3 LYS 53 HD1 LYS 53 -12.601 -12.772 -4.784 433 HE2 LYS 53 HE2 LYS 53 -13.926 -10.865 -5.539 434 HE3 LYS 53 HE1 LYS 53 -12.581 -10.317 -6.536 435 HZ1 LYS 53 HZ1 LYS 53 -14.248 -11.523 -7.818 436 HZ2 LYS 53 HZ2 LYS 53 -14.010 -12.898 -6.867 437 HZ3 LYS 53 HZ3 LYS 53 -12.757 -12.320 -7.846 438 H ILE 54 HN ILE 54 -9.889 -8.984 -1.811 439 HA ILE 54 HA ILE 54 -10.446 -6.284 -2.811 440 HB ILE 54 HB ILE 54 -8.402 -5.688 -1.334 441 HG12 ILE 54 HG12 ILE 54 -8.110 -8.218 -0.755 442 HG13 ILE 54 HG11 ILE 54 -7.877 -7.005 0.494 443 HG21 ILE 54 HG21 ILE 54 -11.123 -6.296 -0.287 444 HG22 ILE 54 HG22 ILE 54 -10.581 -4.830 -1.133 445 HG23 ILE 54 HG23 ILE 54 -9.954 -5.207 0.482 446 HD11 ILE 54 HD11 ILE 54 -10.115 -7.458 1.351 447 HD12 ILE 54 HD12 ILE 54 -9.121 -8.914 1.326 448 HD13 ILE 54 HD13 ILE 54 -10.354 -8.666 0.090 449 H GLU 55 HN GLU 55 -8.665 -5.121 -3.671 450 HA GLU 55 HA GLU 55 -6.325 -6.642 -4.443 451 HB2 GLU 55 HB2 GLU 55 -8.403 -5.588 -6.306 452 HB3 GLU 55 HB1 GLU 55 -6.716 -5.551 -6.744 453 HG2 GLU 55 HG2 GLU 55 -6.601 -7.980 -6.488 454 HG3 GLU 55 HG1 GLU 55 -8.309 -7.997 -6.057 455 H VAL 56 HN VAL 56 -4.916 -5.270 -3.611 456 HA VAL 56 HA VAL 56 -5.281 -2.379 -4.043 457 HB VAL 56 HB VAL 56 -4.665 -2.302 -1.803 458 HG11 VAL 56 HG11 VAL 56 -3.561 -5.011 -2.237 459 HG12 VAL 56 HG12 VAL 56 -5.132 -4.590 -1.561 460 HG13 VAL 56 HG13 VAL 56 -3.657 -4.189 -0.686 461 HG21 VAL 56 HG21 VAL 56 -1.910 -3.218 -2.742 462 HG22 VAL 56 HG22 VAL 56 -2.283 -2.159 -1.389 463 HG23 VAL 56 HG23 VAL 56 -2.524 -1.591 -3.034 464 H THR 57 HN THR 57 -3.813 -1.317 -5.119 465 HA THR 57 HA THR 57 -1.170 -2.495 -5.683 466 HB THR 57 HB THR 57 -2.751 -1.237 -7.970 467 HG1 THR 57 HG1 THR 57 -3.566 -3.386 -7.046 468 HG21 THR 57 HG21 THR 57 -1.044 -2.320 -9.351 469 HG22 THR 57 HG22 THR 57 -0.297 -2.994 -7.906 470 HG23 THR 57 HG23 THR 57 -0.313 -1.250 -8.157 471 H ILE 58 HN ILE 58 -0.061 -0.931 -4.767 472 HA ILE 58 HA ILE 58 -1.046 1.871 -4.843 473 HB ILE 58 HB ILE 58 0.077 0.046 -2.728 474 HG12 ILE 58 HG12 ILE 58 -2.180 2.045 -2.619 475 HG13 ILE 58 HG11 ILE 58 -2.374 0.345 -3.023 476 HG21 ILE 58 HG21 ILE 58 0.110 3.073 -2.558 477 HG22 ILE 58 HG22 ILE 58 1.516 2.007 -2.558 478 HG23 ILE 58 HG23 ILE 58 0.391 1.982 -1.201 479 HD11 ILE 58 HD11 ILE 58 -2.972 0.774 -0.717 480 HD12 ILE 58 HD12 ILE 58 -1.378 1.464 -0.413 481 HD13 ILE 58 HD13 ILE 58 -1.538 -0.248 -0.798 482 HA PRO 59 HA PRO 59 3.241 2.087 -6.715 483 HB2 PRO 59 HB2 PRO 59 1.853 4.346 -8.077 484 HB3 PRO 59 HB1 PRO 59 2.867 3.061 -8.768 485 HG2 PRO 59 HG2 PRO 59 0.243 3.034 -9.136 486 HG3 PRO 59 HG1 PRO 59 1.111 1.523 -8.786 487 HD2 PRO 59 HD2 PRO 59 -0.446 3.276 -6.912 488 HD3 PRO 59 HD1 PRO 59 -0.534 1.514 -7.114 489 H LEU 60 HN LEU 60 4.136 2.878 -4.758 490 HA LEU 60 HA LEU 60 3.801 5.724 -4.195 491 HB2 LEU 60 HB2 LEU 60 4.833 3.418 -2.745 492 HB3 LEU 60 HB1 LEU 60 5.963 4.758 -2.702 493 HG LEU 60 HG LEU 60 4.145 6.212 -1.816 494 HD11 LEU 60 HD11 LEU 60 2.245 4.945 -2.695 495 HD12 LEU 60 HD12 LEU 60 2.120 5.197 -0.953 496 HD13 LEU 60 HD13 LEU 60 2.619 3.627 -1.585 497 HD21 LEU 60 HD21 LEU 60 4.173 5.267 0.438 498 HD22 LEU 60 HD22 LEU 60 5.761 5.174 -0.321 499 HD23 LEU 60 HD23 LEU 60 4.752 3.733 -0.211 500 H LYS 61 HN LYS 61 6.165 6.776 -3.717 501 HA LYS 61 HA LYS 61 7.429 7.229 -6.160 502 HB2 LYS 61 HB2 LYS 61 8.864 7.214 -3.549 503 HB3 LYS 61 HB1 LYS 61 9.101 8.318 -4.900 504 HG2 LYS 61 HG2 LYS 61 6.875 9.309 -4.394 505 HG3 LYS 61 HG1 LYS 61 6.812 8.305 -2.945 506 HD2 LYS 61 HD2 LYS 61 8.945 10.347 -3.576 507 HD3 LYS 61 HD1 LYS 61 7.600 10.587 -2.461 508 HE2 LYS 61 HE2 LYS 61 8.430 8.859 -1.006 509 HE3 LYS 61 HE1 LYS 61 9.691 8.435 -2.162 510 HZ1 LYS 61 HZ1 LYS 61 9.469 11.055 -0.781 511 HZ2 LYS 61 HZ2 LYS 61 10.706 10.581 -1.829 512 HZ3 LYS 61 HZ3 LYS 61 10.526 9.811 -0.334 513 H ASN 62 HN ASN 62 8.327 5.349 -3.378 514 HA ASN 62 HA ASN 62 10.752 4.539 -4.471 515 HB2 ASN 62 HB2 ASN 62 10.508 5.000 -2.129 516 HB3 ASN 62 HB1 ASN 62 9.393 3.671 -2.035 517 HD21 ASN 62 HD21 ASN 62 12.368 3.678 -3.867 518 HD22 ASN 62 HD22 ASN 62 13.160 2.467 -2.923 519 H VAL 63 HN VAL 63 7.864 2.795 -3.465 520 HA VAL 63 HA VAL 63 8.482 0.650 -5.356 521 HB VAL 63 HB VAL 63 9.308 0.029 -3.132 522 HG11 VAL 63 HG11 VAL 63 7.839 1.281 -1.718 523 HG12 VAL 63 HG12 VAL 63 7.694 -0.430 -1.311 524 HG13 VAL 63 HG13 VAL 63 6.446 0.358 -2.278 525 HG21 VAL 63 HG21 VAL 63 6.928 -1.569 -4.049 526 HG22 VAL 63 HG22 VAL 63 8.159 -2.145 -2.926 527 HG23 VAL 63 HG23 VAL 63 8.597 -1.755 -4.588 528 H THR 64 HN THR 64 6.689 -0.587 -6.003 529 HA THR 64 HA THR 64 4.062 0.677 -5.540 530 HB THR 64 HB THR 64 5.006 -1.051 -7.843 531 HG1 THR 64 HG1 THR 64 5.552 1.375 -7.538 532 HG21 THR 64 HG21 THR 64 2.655 -1.458 -7.404 533 HG22 THR 64 HG22 THR 64 2.825 -0.492 -8.869 534 HG23 THR 64 HG23 THR 64 2.334 0.274 -7.360 535 H LEU 65 HN LEU 65 3.027 -0.453 -3.938 536 HA LEU 65 HA LEU 65 3.475 -3.316 -3.717 537 HB2 LEU 65 HB2 LEU 65 1.830 -1.426 -2.035 538 HB3 LEU 65 HB1 LEU 65 1.800 -3.164 -1.832 539 HG LEU 65 HG LEU 65 4.436 -2.892 -1.685 540 HD11 LEU 65 HD11 LEU 65 5.140 -0.885 -0.501 541 HD12 LEU 65 HD12 LEU 65 3.498 -0.232 -0.625 542 HD13 LEU 65 HD13 LEU 65 4.458 -0.474 -2.082 543 HD21 LEU 65 HD21 LEU 65 2.969 -3.877 -0.004 544 HD22 LEU 65 HD22 LEU 65 2.607 -2.266 0.614 545 HD23 LEU 65 HD23 LEU 65 4.248 -2.902 0.716 546 H ARG 66 HN ARG 66 1.633 -4.739 -3.413 547 HA ARG 66 HA ARG 66 -0.928 -3.979 -4.407 548 HB2 ARG 66 HB2 ARG 66 0.416 -4.233 -6.494 549 HB3 ARG 66 HB1 ARG 66 0.737 -5.837 -5.998 550 HG2 ARG 66 HG2 ARG 66 -1.993 -4.875 -6.647 551 HG3 ARG 66 HG1 ARG 66 -0.923 -5.650 -7.810 552 HD2 ARG 66 HD2 ARG 66 -0.827 -7.591 -6.151 553 HD3 ARG 66 HD1 ARG 66 -2.205 -6.824 -5.365 554 HE ARG 66 HE ARG 66 -2.281 -8.435 -7.666 555 HH11 ARG 66 HH11 ARG 66 -3.666 -5.454 -6.456 556 HH12 ARG 66 HH12 ARG 66 -5.131 -5.624 -7.368 557 HH21 ARG 66 HH21 ARG 66 -4.213 -8.684 -8.816 558 HH22 ARG 66 HH22 ARG 66 -5.468 -7.481 -8.691 559 H ALA 67 HN ALA 67 -2.398 -5.365 -3.699 560 HA ALA 67 HA ALA 67 -1.617 -8.003 -2.718 561 HB1 ALA 67 HB1 ALA 67 -2.925 -6.006 -0.847 562 HB2 ALA 67 HB2 ALA 67 -1.286 -6.640 -0.726 563 HB3 ALA 67 HB3 ALA 67 -2.661 -7.719 -0.514 564 H GLU 68 HN GLU 68 -2.986 -9.336 -3.615 565 HA GLU 68 HA GLU 68 -5.798 -8.491 -3.874 566 HB2 GLU 68 HB2 GLU 68 -5.907 -10.254 -5.695 567 HB3 GLU 68 HB1 GLU 68 -4.953 -8.828 -6.067 568 HG2 GLU 68 HG2 GLU 68 -2.911 -10.030 -5.660 569 HG3 GLU 68 HG1 GLU 68 -3.817 -11.453 -5.149 570 H GLU 69 HN GLU 69 -7.052 -9.454 -2.397 571 HA GLU 69 HA GLU 69 -6.455 -12.197 -1.593 572 HB2 GLU 69 HB2 GLU 69 -5.223 -10.654 -0.059 573 HB3 GLU 69 HB1 GLU 69 -6.765 -9.959 0.416 574 HG2 GLU 69 HG2 GLU 69 -5.855 -11.632 2.008 575 HG3 GLU 69 HG1 GLU 69 -7.469 -12.009 1.407 576 H ARG 70 HN ARG 70 -8.184 -13.228 -0.451 577 HA ARG 70 HA ARG 70 -10.779 -11.857 -0.660 578 HB2 ARG 70 HB2 ARG 70 -10.503 -13.467 -2.529 579 HB3 ARG 70 HB1 ARG 70 -10.234 -14.752 -1.360 580 HG2 ARG 70 HG2 ARG 70 -12.483 -14.464 -0.495 581 HG3 ARG 70 HG1 ARG 70 -12.758 -13.133 -1.619 582 HD2 ARG 70 HD2 ARG 70 -12.455 -14.658 -3.502 583 HD3 ARG 70 HD1 ARG 70 -12.157 -15.987 -2.380 584 HE ARG 70 HE ARG 70 -14.626 -14.819 -1.761 585 HH11 ARG 70 HH11 ARG 70 -13.145 -16.723 -4.295 586 HH12 ARG 70 HH12 ARG 70 -14.629 -17.495 -4.753 587 HH21 ARG 70 HH21 ARG 70 -16.576 -15.831 -2.354 588 HH22 ARG 70 HH22 ARG 70 -16.587 -16.982 -3.652 589 H ASN 71 HN ASN 71 -10.749 -11.403 1.534 590 HA ASN 71 HA ASN 71 -10.791 -13.736 3.328 591 HB2 ASN 71 HB2 ASN 71 -9.778 -12.208 5.071 592 HB3 ASN 71 HB1 ASN 71 -8.718 -12.565 3.737 593 HD21 ASN 71 HD21 ASN 71 -7.640 -10.877 4.617 594 HD22 ASN 71 HD22 ASN 71 -8.074 -9.309 4.165 595 H ASP 72 HN ASP 72 -11.444 -12.234 5.658 596 HA ASP 72 HA ASP 72 -14.280 -11.889 5.163 597 HB2 ASP 72 HB2 ASP 72 -13.369 -13.148 7.141 598 HB3 ASP 72 HB1 ASP 72 -12.761 -11.620 7.766 599 H ASP 73 HN ASP 73 -11.582 -9.976 6.416 600 HA ASP 73 HA ASP 73 -13.212 -7.515 6.237 601 HB2 ASP 73 HB2 ASP 73 -10.813 -8.285 7.889 602 HB3 ASP 73 HB1 ASP 73 -11.239 -6.605 7.624 603 H LEU 74 HN LEU 74 -13.093 -6.715 4.486 604 HA LEU 74 HA LEU 74 -11.333 -6.040 2.665 605 HB2 LEU 74 HB2 LEU 74 -13.465 -4.995 2.809 606 HB3 LEU 74 HB1 LEU 74 -13.107 -4.487 4.460 607 HG LEU 74 HG LEU 74 -11.751 -2.683 3.718 608 HD11 LEU 74 HD11 LEU 74 -11.419 -2.286 1.248 609 HD12 LEU 74 HD12 LEU 74 -11.910 -3.967 1.014 610 HD13 LEU 74 HD13 LEU 74 -10.481 -3.586 1.983 611 HD21 LEU 74 HD21 LEU 74 -14.143 -2.270 3.615 612 HD22 LEU 74 HD22 LEU 74 -14.187 -2.852 1.952 613 HD23 LEU 74 HD23 LEU 74 -13.299 -1.381 2.348 614 H TYR 75 HN TYR 75 -11.528 -4.701 5.867 615 HA TYR 75 HA TYR 75 -9.593 -2.753 5.412 616 HB2 TYR 75 HB2 TYR 75 -11.039 -3.694 7.873 617 HB3 TYR 75 HB1 TYR 75 -9.714 -2.544 7.993 618 HD1 TYR 75 HD1 TYR 75 -12.823 -2.676 8.348 619 HD2 TYR 75 HD2 TYR 75 -10.046 -0.971 5.700 620 HE1 TYR 75 HE1 TYR 75 -14.347 -0.928 7.906 621 HE2 TYR 75 HE2 TYR 75 -11.552 0.794 5.227 622 HH TYR 75 HH TYR 75 -14.318 1.456 7.102 623 H ALA 76 HN ALA 76 -9.594 -6.006 6.244 624 HA ALA 76 HA ALA 76 -7.036 -6.117 7.593 625 HB1 ALA 76 HB1 ALA 76 -8.938 -7.615 8.176 626 HB2 ALA 76 HB2 ALA 76 -7.465 -8.480 7.727 627 HB3 ALA 76 HB3 ALA 76 -8.791 -8.331 6.566 628 H GLY 77 HN GLY 77 -8.541 -6.789 4.488 629 HA2 GLY 77 HA2 GLY 77 -6.279 -7.999 3.269 630 HA3 GLY 77 HA1 GLY 77 -7.630 -7.204 2.458 631 H ILE 78 HN ILE 78 -7.581 -4.702 3.164 632 HA ILE 78 HA ILE 78 -5.352 -3.631 1.901 633 HB ILE 78 HB ILE 78 -7.510 -2.274 3.536 634 HG12 ILE 78 HG12 ILE 78 -7.093 -2.639 0.560 635 HG13 ILE 78 HG11 ILE 78 -8.345 -3.390 1.543 636 HG21 ILE 78 HG21 ILE 78 -5.503 -0.876 3.469 637 HG22 ILE 78 HG22 ILE 78 -6.791 -0.185 2.484 638 HG23 ILE 78 HG23 ILE 78 -5.449 -1.029 1.713 639 HD11 ILE 78 HD11 ILE 78 -9.239 -1.550 0.246 640 HD12 ILE 78 HD12 ILE 78 -8.070 -0.448 0.975 641 HD13 ILE 78 HD13 ILE 78 -9.320 -1.191 1.972 642 H ASP 79 HN ASP 79 -6.090 -4.274 5.337 643 HA ASP 79 HA ASP 79 -3.784 -2.870 6.427 644 HB2 ASP 79 HB2 ASP 79 -5.770 -3.632 7.796 645 HB3 ASP 79 HB1 ASP 79 -5.185 -5.280 7.601 646 H LEU 80 HN LEU 80 -4.325 -6.228 5.377 647 HA LEU 80 HA LEU 80 -1.751 -7.107 5.871 648 HB2 LEU 80 HB2 LEU 80 -3.524 -7.698 3.490 649 HB3 LEU 80 HB1 LEU 80 -2.018 -8.533 3.804 650 HG LEU 80 HG LEU 80 -4.446 -8.576 5.596 651 HD11 LEU 80 HD11 LEU 80 -4.630 -10.919 4.888 652 HD12 LEU 80 HD12 LEU 80 -3.310 -10.666 3.747 653 HD13 LEU 80 HD13 LEU 80 -4.831 -9.799 3.542 654 HD21 LEU 80 HD21 LEU 80 -2.387 -8.798 6.869 655 HD22 LEU 80 HD22 LEU 80 -1.832 -10.067 5.781 656 HD23 LEU 80 HD23 LEU 80 -3.242 -10.339 6.804 657 H ILE 81 HN ILE 81 -2.982 -5.573 2.853 658 HA ILE 81 HA ILE 81 -0.387 -5.146 1.881 659 HB ILE 81 HB ILE 81 -2.702 -4.886 0.711 660 HG12 ILE 81 HG12 ILE 81 -0.296 -4.786 -0.171 661 HG13 ILE 81 HG11 ILE 81 -1.528 -3.987 -1.132 662 HG21 ILE 81 HG21 ILE 81 -2.071 -2.016 1.376 663 HG22 ILE 81 HG22 ILE 81 -3.441 -2.935 1.996 664 HG23 ILE 81 HG23 ILE 81 -3.326 -2.578 0.273 665 HD11 ILE 81 HD11 ILE 81 0.230 -2.482 -1.127 666 HD12 ILE 81 HD12 ILE 81 0.614 -2.788 0.564 667 HD13 ILE 81 HD13 ILE 81 -0.825 -1.862 0.142 668 H ASN 82 HN ASN 82 -2.314 -2.983 3.967 669 HA ASN 82 HA ASN 82 -0.628 -0.721 3.510 670 HB2 ASN 82 HB2 ASN 82 -3.062 -0.672 4.248 671 HB3 ASN 82 HB1 ASN 82 -2.496 -1.125 5.848 672 HD21 ASN 82 HD21 ASN 82 -2.763 1.386 3.522 673 HD22 ASN 82 HD22 ASN 82 -2.165 2.663 4.516 674 H ASN 83 HN ASN 83 -0.806 -3.237 5.881 675 HA ASN 83 HA ASN 83 1.069 -1.971 7.672 676 HB2 ASN 83 HB2 ASN 83 0.062 -3.372 9.108 677 HB3 ASN 83 HB1 ASN 83 -0.956 -3.918 7.745 678 HD21 ASN 83 HD21 ASN 83 -0.550 -5.889 6.844 679 HD22 ASN 83 HD22 ASN 83 0.540 -7.052 7.518 680 H LYS 84 HN LYS 84 0.992 -4.681 5.376 681 HA LYS 84 HA LYS 84 3.803 -5.181 5.492 682 HB2 LYS 84 HB2 LYS 84 1.803 -5.673 3.282 683 HB3 LYS 84 HB1 LYS 84 3.488 -6.163 3.186 684 HG2 LYS 84 HG2 LYS 84 1.533 -7.094 5.281 685 HG3 LYS 84 HG1 LYS 84 1.983 -7.995 3.833 686 HD2 LYS 84 HD2 LYS 84 4.315 -8.039 4.595 687 HD3 LYS 84 HD1 LYS 84 3.849 -7.154 6.050 688 HE2 LYS 84 HE2 LYS 84 4.032 -9.545 6.501 689 HE3 LYS 84 HE1 LYS 84 2.373 -8.985 6.698 690 HZ1 LYS 84 HZ1 LYS 84 1.885 -9.839 4.473 691 HZ2 LYS 84 HZ2 LYS 84 2.409 -11.061 5.510 692 HZ3 LYS 84 HZ3 LYS 84 3.462 -10.433 4.346 693 H LEU 85 HN LEU 85 1.838 -2.777 3.990 694 HA LEU 85 HA LEU 85 3.710 -1.731 2.166 695 HB2 LEU 85 HB2 LEU 85 1.322 -1.122 2.128 696 HB3 LEU 85 HB1 LEU 85 1.499 -0.315 3.669 697 HG LEU 85 HG LEU 85 3.157 0.623 1.364 698 HD11 LEU 85 HD11 LEU 85 0.253 1.296 1.809 699 HD12 LEU 85 HD12 LEU 85 0.925 0.428 0.429 700 HD13 LEU 85 HD13 LEU 85 1.336 2.123 0.690 701 HD21 LEU 85 HD21 LEU 85 1.817 2.012 3.687 702 HD22 LEU 85 HD22 LEU 85 2.836 2.789 2.476 703 HD23 LEU 85 HD23 LEU 85 3.527 1.594 3.574 704 H GLU 86 HN GLU 86 2.804 -0.622 5.429 705 HA GLU 86 HA GLU 86 4.825 1.184 5.827 706 HB2 GLU 86 HB2 GLU 86 2.973 0.576 7.451 707 HB3 GLU 86 HB1 GLU 86 3.950 -0.808 7.921 708 HG2 GLU 86 HG2 GLU 86 5.792 0.764 8.508 709 HG3 GLU 86 HG1 GLU 86 4.676 2.095 8.213 710 H ARG 87 HN ARG 87 4.888 -2.342 6.377 711 HA ARG 87 HA ARG 87 7.544 -2.433 7.282 712 HB2 ARG 87 HB2 ARG 87 5.815 -4.135 7.634 713 HB3 ARG 87 HB1 ARG 87 6.053 -4.569 5.973 714 HG2 ARG 87 HG2 ARG 87 8.268 -5.322 6.364 715 HG3 ARG 87 HG1 ARG 87 8.248 -4.647 7.995 716 HD2 ARG 87 HD2 ARG 87 6.630 -6.963 6.952 717 HD3 ARG 87 HD1 ARG 87 7.914 -7.013 8.162 718 HE ARG 87 HE ARG 87 6.096 -5.303 9.229 719 HH11 ARG 87 HH11 ARG 87 5.955 -8.599 8.061 720 HH12 ARG 87 HH12 ARG 87 4.587 -9.019 9.044 721 HH21 ARG 87 HH21 ARG 87 4.294 -5.845 10.508 722 HH22 ARG 87 HH22 ARG 87 3.639 -7.450 10.435 723 H GLN 88 HN GLN 88 6.242 -2.606 4.027 724 HA GLN 88 HA GLN 88 8.689 -3.777 2.965 725 HB2 GLN 88 HB2 GLN 88 5.957 -3.333 2.047 726 HB3 GLN 88 HB1 GLN 88 7.172 -3.125 0.809 727 HG2 GLN 88 HG2 GLN 88 6.692 -5.579 2.492 728 HG3 GLN 88 HG1 GLN 88 6.311 -5.386 0.782 729 HE21 GLN 88 HE21 GLN 88 8.803 -5.927 3.121 730 HE22 GLN 88 HE22 GLN 88 10.060 -6.317 1.997 731 H VAL 89 HN VAL 89 6.658 -1.042 2.455 732 HA VAL 89 HA VAL 89 8.155 0.631 0.988 733 HB VAL 89 HB VAL 89 6.204 1.050 3.178 734 HG11 VAL 89 HG11 VAL 89 6.242 3.498 2.780 735 HG12 VAL 89 HG12 VAL 89 7.659 3.300 1.750 736 HG13 VAL 89 HG13 VAL 89 7.761 2.924 3.468 737 HG21 VAL 89 HG21 VAL 89 5.366 0.421 1.017 738 HG22 VAL 89 HG22 VAL 89 6.252 1.730 0.238 739 HG23 VAL 89 HG23 VAL 89 4.919 2.096 1.332 740 H ARG 90 HN ARG 90 8.218 0.354 4.504 741 HA ARG 90 HA ARG 90 10.334 2.231 4.815 742 HB2 ARG 90 HB2 ARG 90 10.545 1.619 7.090 743 HB3 ARG 90 HB1 ARG 90 8.823 1.607 6.711 744 HG2 ARG 90 HG2 ARG 90 8.997 -0.880 6.453 745 HG3 ARG 90 HG1 ARG 90 10.651 -0.763 7.055 746 HD2 ARG 90 HD2 ARG 90 8.198 0.167 8.544 747 HD3 ARG 90 HD1 ARG 90 9.008 -1.376 8.801 748 HE ARG 90 HE ARG 90 10.827 0.789 9.080 749 HH11 ARG 90 HH11 ARG 90 8.224 -0.889 10.711 750 HH12 ARG 90 HH12 ARG 90 8.779 -0.475 12.302 751 HH21 ARG 90 HH21 ARG 90 11.558 1.352 11.183 752 HH22 ARG 90 HH22 ARG 90 10.662 0.814 12.568 753 H LYS 91 HN LYS 91 10.330 -1.324 4.541 754 HA LYS 91 HA LYS 91 13.005 -1.679 5.140 755 HB2 LYS 91 HB2 LYS 91 11.095 -3.160 3.630 756 HB3 LYS 91 HB1 LYS 91 12.752 -3.654 3.486 757 HG2 LYS 91 HG2 LYS 91 12.793 -3.874 5.963 758 HG3 LYS 91 HG1 LYS 91 11.063 -3.528 5.978 759 HD2 LYS 91 HD2 LYS 91 11.258 -5.884 6.053 760 HD3 LYS 91 HD1 LYS 91 10.791 -5.486 4.401 761 HE2 LYS 91 HE2 LYS 91 12.525 -7.166 4.369 762 HE3 LYS 91 HE1 LYS 91 13.156 -5.655 3.722 763 HZ1 LYS 91 HZ1 LYS 91 14.697 -6.759 5.254 764 HZ2 LYS 91 HZ2 LYS 91 13.572 -6.600 6.505 765 HZ3 LYS 91 HZ3 LYS 91 14.251 -5.223 5.801 766 H TYR 92 HN TYR 92 11.385 -0.993 2.150 767 HA TYR 92 HA TYR 92 13.767 -1.185 0.564 768 HB2 TYR 92 HB2 TYR 92 11.192 -1.397 -0.065 769 HB3 TYR 92 HB1 TYR 92 11.390 0.314 -0.429 770 HD1 TYR 92 HD1 TYR 92 11.939 0.855 -2.608 771 HD2 TYR 92 HD2 TYR 92 13.178 -2.913 -1.071 772 HE1 TYR 92 HE1 TYR 92 12.883 0.278 -4.802 773 HE2 TYR 92 HE2 TYR 92 14.127 -3.499 -3.263 774 HH TYR 92 HH TYR 92 14.629 -1.233 -5.713 775 H LYS 93 HN LYS 93 11.788 1.613 1.645 776 HA LYS 93 HA LYS 93 13.502 3.499 0.384 777 HB2 LYS 93 HB2 LYS 93 12.229 5.224 1.464 778 HB3 LYS 93 HB1 LYS 93 11.125 3.977 0.909 779 HG2 LYS 93 HG2 LYS 93 10.864 3.134 3.135 780 HG3 LYS 93 HG1 LYS 93 12.117 4.222 3.740 781 HD2 LYS 93 HD2 LYS 93 10.732 6.147 3.146 782 HD3 LYS 93 HD1 LYS 93 9.486 5.063 2.526 783 HE2 LYS 93 HE2 LYS 93 8.897 5.823 4.748 784 HE3 LYS 93 HE1 LYS 93 9.236 4.094 4.771 785 HZ1 LYS 93 HZ1 LYS 93 11.096 6.242 5.641 786 HZ2 LYS 93 HZ2 LYS 93 11.445 4.589 5.644 787 HZ3 LYS 93 HZ3 LYS 93 10.237 5.198 6.656 788 H THR 94 HN THR 94 13.354 2.171 3.639 789 HA THR 94 HA THR 94 15.323 3.978 4.650 790 HB THR 94 HB THR 94 14.088 1.457 5.778 791 HG1 THR 94 HG1 THR 94 13.857 4.242 6.196 792 HG21 THR 94 HG21 THR 94 16.423 1.578 6.575 793 HG22 THR 94 HG22 THR 94 15.273 1.903 7.872 794 HG23 THR 94 HG23 THR 94 16.146 3.234 7.114 795 H ARG 95 HN ARG 95 15.363 0.714 3.251 796 HA ARG 95 HA ARG 95 18.108 0.226 3.692 797 HB2 ARG 95 HB2 ARG 95 16.601 -1.557 2.978 798 HB3 ARG 95 HB1 ARG 95 16.333 -0.743 1.442 799 HG2 ARG 95 HG2 ARG 95 17.881 -2.596 1.197 800 HG3 ARG 95 HG1 ARG 95 18.679 -1.060 0.855 801 HD2 ARG 95 HD2 ARG 95 19.519 -1.082 3.217 802 HD3 ARG 95 HD1 ARG 95 18.887 -2.721 3.361 803 HE ARG 95 HE ARG 95 20.418 -3.101 1.301 804 HH11 ARG 95 HH11 ARG 95 21.094 -1.087 4.084 805 HH12 ARG 95 HH12 ARG 95 22.816 -1.216 3.919 806 HH21 ARG 95 HH21 ARG 95 22.686 -3.280 1.082 807 HH22 ARG 95 HH22 ARG 95 23.722 -2.471 2.216 808 H ILE 96 HN ILE 96 16.402 1.711 0.916 809 HA ILE 96 HA ILE 96 18.814 2.220 -0.507 810 HB ILE 96 HB ILE 96 16.548 2.130 -1.583 811 HG12 ILE 96 HG12 ILE 96 16.992 4.009 -3.173 812 HG13 ILE 96 HG11 ILE 96 18.236 4.593 -2.074 813 HG21 ILE 96 HG21 ILE 96 15.374 3.515 0.079 814 HG22 ILE 96 HG22 ILE 96 15.129 4.076 -1.575 815 HG23 ILE 96 HG23 ILE 96 16.249 4.927 -0.510 816 HD11 ILE 96 HD11 ILE 96 19.178 3.327 -3.930 817 HD12 ILE 96 HD12 ILE 96 18.233 1.917 -3.449 818 HD13 ILE 96 HD13 ILE 96 19.493 2.540 -2.383 819 H ASN 97 HN ASN 97 17.048 3.977 1.957 820 HA ASN 97 HA ASN 97 18.440 6.433 1.736 821 HB2 ASN 97 HB2 ASN 97 16.345 5.879 3.149 822 HB3 ASN 97 HB1 ASN 97 17.480 5.284 4.351 823 HD21 ASN 97 HD21 ASN 97 19.474 7.380 3.624 824 HD22 ASN 97 HD22 ASN 97 18.866 8.834 4.342 825 H ARG 98 HN ARG 98 19.066 3.468 3.588 826 HA ARG 98 HA ARG 98 21.447 4.365 4.814 827 HB2 ARG 98 HB2 ARG 98 20.517 1.574 4.136 828 HB3 ARG 98 HB1 ARG 98 21.944 1.922 5.101 829 HG2 ARG 98 HG2 ARG 98 19.126 2.719 5.800 830 HG3 ARG 98 HG1 ARG 98 20.013 1.356 6.485 831 HD2 ARG 98 HD2 ARG 98 20.839 4.250 6.686 832 HD3 ARG 98 HD1 ARG 98 20.027 3.335 7.953 833 HE ARG 98 HE ARG 98 22.204 1.832 7.453 834 HH11 ARG 98 HH11 ARG 98 21.828 5.260 8.048 835 HH12 ARG 98 HH12 ARG 98 23.337 5.414 8.887 836 HH21 ARG 98 HH21 ARG 98 24.197 2.030 8.550 837 HH22 ARG 98 HH22 ARG 98 24.691 3.574 9.165 838 H LYS 99 HN LYS 99 20.771 3.104 1.653 839 HA LYS 99 HA LYS 99 23.548 2.696 0.979 840 HB2 LYS 99 HB2 LYS 99 21.735 1.341 -0.026 841 HB3 LYS 99 HB1 LYS 99 21.100 2.786 -0.800 842 HG2 LYS 99 HG2 LYS 99 23.153 3.006 -2.097 843 HG3 LYS 99 HG1 LYS 99 23.809 1.569 -1.311 844 HD2 LYS 99 HD2 LYS 99 21.320 1.652 -3.018 845 HD3 LYS 99 HD1 LYS 99 22.901 1.075 -3.544 846 HE2 LYS 99 HE2 LYS 99 21.235 -0.102 -1.323 847 HE3 LYS 99 HE1 LYS 99 21.428 -0.777 -2.939 848 HZ1 LYS 99 HZ1 LYS 99 23.776 -1.074 -2.508 849 HZ2 LYS 99 HZ2 LYS 99 22.866 -1.862 -1.325 850 HZ3 LYS 99 HZ3 LYS 99 23.616 -0.390 -0.970 851 H SER 100 HN SER 100 21.368 5.305 1.072 852 HA SER 100 HA SER 100 22.517 6.842 -1.059 853 HB2 SER 100 HB2 SER 100 20.131 7.049 -0.335 854 HB3 SER 100 HB1 SER 100 20.692 7.772 1.172 855 HG SER 100 HG SER 100 21.538 8.855 -1.278 856 H ARG 101 HN ARG 101 23.445 6.174 2.119 857 HA ARG 101 HA ARG 101 24.677 8.612 2.848 858 HB2 ARG 101 HB2 ARG 101 25.881 7.350 4.499 859 HB3 ARG 101 HB1 ARG 101 24.264 6.663 4.393 860 HG2 ARG 101 HG2 ARG 101 25.071 4.827 3.078 861 HG3 ARG 101 HG1 ARG 101 26.676 5.546 2.986 862 HD2 ARG 101 HD2 ARG 101 26.820 5.349 5.469 863 HD3 ARG 101 HD1 ARG 101 25.298 4.455 5.433 864 HE ARG 101 HE ARG 101 27.225 3.351 3.638 865 HH11 ARG 101 HH11 ARG 101 26.352 3.495 7.030 866 HH12 ARG 101 HH12 ARG 101 27.049 1.949 7.402 867 HH21 ARG 101 HH21 ARG 101 28.136 1.316 4.134 868 HH22 ARG 101 HH22 ARG 101 28.041 0.702 5.753 869 H ASP 102 HN ASP 102 25.565 6.012 0.739 870 HA ASP 102 HA ASP 102 28.210 7.227 0.282 871 HB2 ASP 102 HB2 ASP 102 27.318 4.387 -0.282 872 HB3 ASP 102 HB1 ASP 102 28.919 5.036 -0.588 873 H ARG 103 HN ARG 103 28.989 6.878 -1.994 874 HA ARG 103 HA ARG 103 26.761 7.037 -3.916 875 HB2 ARG 103 HB2 ARG 103 28.301 8.287 -5.395 876 HB3 ARG 103 HB1 ARG 103 28.016 9.122 -3.876 877 HG2 ARG 103 HG2 ARG 103 30.166 8.499 -3.048 878 HG3 ARG 103 HG1 ARG 103 30.440 7.422 -4.419 879 HD2 ARG 103 HD2 ARG 103 31.655 9.529 -4.676 880 HD3 ARG 103 HD1 ARG 103 30.437 9.328 -5.934 881 HE ARG 103 HE ARG 103 29.526 10.843 -3.661 882 HH11 ARG 103 HH11 ARG 103 31.153 11.001 -6.759 883 HH12 ARG 103 HH12 ARG 103 30.800 12.682 -6.997 884 HH21 ARG 103 HH21 ARG 103 29.064 13.055 -3.970 885 HH22 ARG 103 HH22 ARG 103 29.607 13.851 -5.416 886 H GLY 104 HN GLY 104 27.835 4.651 -2.864 887 HA2 GLY 104 HA2 GLY 104 28.153 2.606 -4.114 888 HA3 GLY 104 HA1 GLY 104 29.180 3.507 -5.225 889 H ASP 105 HN ASP 105 29.292 1.279 -2.838 890 HA ASP 105 HA ASP 105 31.462 2.266 -1.255 891 HB2 ASP 105 HB2 ASP 105 31.573 -0.004 -0.345 892 HB3 ASP 105 HB1 ASP 105 29.902 0.544 -0.417 893 H GLN 106 HN GLN 106 31.178 0.283 -4.127 894 HA GLN 106 HA GLN 106 34.100 0.406 -4.430 895 HB2 GLN 106 HB2 GLN 106 33.166 -1.893 -4.368 896 HB3 GLN 106 HB1 GLN 106 32.170 -1.502 -5.763 897 HG2 GLN 106 HG2 GLN 106 34.137 -1.166 -7.121 898 HG3 GLN 106 HG1 GLN 106 35.178 -1.445 -5.727 899 HE21 GLN 106 HE21 GLN 106 32.267 -3.274 -6.379 900 HE22 GLN 106 HE22 GLN 106 33.064 -4.765 -6.745 901 H GLU 107 HN GLU 107 31.017 0.611 -6.135 902 HA GLU 107 HA GLU 107 32.221 1.812 -8.468 903 HB2 GLU 107 HB2 GLU 107 30.271 0.249 -8.592 904 HB3 GLU 107 HB1 GLU 107 29.295 1.462 -7.778 905 HG2 GLU 107 HG2 GLU 107 28.881 1.516 -10.152 906 HG3 GLU 107 HG1 GLU 107 29.675 3.006 -9.644 907 H VAL 108 HN VAL 108 33.152 3.644 -7.356 908 HA VAL 108 HA VAL 108 31.335 5.604 -6.224 909 HB VAL 108 HB VAL 108 33.367 6.946 -5.794 910 HG11 VAL 108 HG11 VAL 108 32.613 5.345 -4.125 911 HG12 VAL 108 HG12 VAL 108 34.375 5.445 -4.139 912 HG13 VAL 108 HG13 VAL 108 33.562 4.074 -4.895 913 HG21 VAL 108 HG21 VAL 108 34.695 6.251 -7.718 914 HG22 VAL 108 HG22 VAL 108 34.825 4.622 -7.053 915 HG23 VAL 108 HG23 VAL 108 35.579 5.979 -6.216 916 H PHE 109 HN PHE 109 31.774 4.794 -9.232 917 HA PHE 109 HA PHE 109 32.266 7.464 -10.322 918 HB2 PHE 109 HB2 PHE 109 33.520 5.505 -11.238 919 HB3 PHE 109 HB1 PHE 109 31.990 4.829 -11.784 920 HD1 PHE 109 HD1 PHE 109 31.252 5.292 -13.925 921 HD2 PHE 109 HD2 PHE 109 34.078 7.890 -12.096 922 HE1 PHE 109 HE1 PHE 109 31.472 6.536 -16.035 923 HE2 PHE 109 HE2 PHE 109 34.301 9.142 -14.202 924 HZ PHE 109 HZ PHE 109 32.997 8.462 -16.175 925 H VAL 110 HN VAL 110 30.219 8.266 -9.571 926 HA VAL 110 HA VAL 110 28.083 7.609 -11.455 927 HB VAL 110 HB VAL 110 27.395 6.427 -9.503 928 HG11 VAL 110 HG11 VAL 110 27.862 8.959 -7.941 929 HG12 VAL 110 HG12 VAL 110 28.806 7.474 -7.840 930 HG13 VAL 110 HG13 VAL 110 27.124 7.489 -7.306 931 HG21 VAL 110 HG21 VAL 110 25.619 7.614 -10.656 932 HG22 VAL 110 HG22 VAL 110 25.901 9.043 -9.658 933 HG23 VAL 110 HG23 VAL 110 25.295 7.558 -8.921 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 2.714 16.250 -5.684 2 H2 MET 1 HT2 MET 1 2.960 14.772 -6.462 3 H3 MET 1 HT3 MET 1 2.962 14.847 -4.774 4 HA MET 1 HA MET 1 0.649 15.450 -4.749 5 HB2 MET 1 HB2 MET 1 0.837 15.113 -7.751 6 HB3 MET 1 HB1 MET 1 -0.651 15.356 -6.848 7 HG2 MET 1 HG2 MET 1 0.190 17.547 -6.103 8 HG3 MET 1 HG1 MET 1 1.634 17.302 -7.082 9 HE1 MET 1 HE1 MET 1 -2.180 18.029 -7.019 10 HE2 MET 1 HE2 MET 1 -2.186 16.480 -7.861 11 HE3 MET 1 HE3 MET 1 -2.631 17.950 -8.723 12 H ILE 2 HN ILE 2 -1.006 13.810 -4.749 13 HA ILE 2 HA ILE 2 0.002 11.110 -5.371 14 HB ILE 2 HB ILE 2 -0.966 10.264 -3.293 15 HG12 ILE 2 HG12 ILE 2 -1.540 13.168 -2.640 16 HG13 ILE 2 HG11 ILE 2 -2.754 11.964 -3.059 17 HG21 ILE 2 HG21 ILE 2 0.692 11.065 -1.791 18 HG22 ILE 2 HG22 ILE 2 0.829 12.594 -2.653 19 HG23 ILE 2 HG23 ILE 2 1.395 11.104 -3.405 20 HD11 ILE 2 HD11 ILE 2 -2.703 12.313 -0.675 21 HD12 ILE 2 HD12 ILE 2 -0.981 11.943 -0.630 22 HD13 ILE 2 HD13 ILE 2 -2.142 10.685 -1.053 23 H ARG 3 HN ARG 3 -1.672 9.530 -5.779 24 HA ARG 3 HA ARG 3 -4.314 10.653 -6.283 25 HB2 ARG 3 HB2 ARG 3 -2.483 9.123 -8.039 26 HB3 ARG 3 HB1 ARG 3 -4.189 8.893 -8.198 27 HG2 ARG 3 HG2 ARG 3 -4.516 11.223 -8.720 28 HG3 ARG 3 HG1 ARG 3 -2.807 11.546 -8.409 29 HD2 ARG 3 HD2 ARG 3 -3.892 9.739 -10.567 30 HD3 ARG 3 HD1 ARG 3 -3.284 11.376 -10.811 31 HE ARG 3 HE ARG 3 -1.155 10.284 -9.721 32 HH11 ARG 3 HH11 ARG 3 -3.299 8.929 -12.140 33 HH12 ARG 3 HH12 ARG 3 -2.067 7.942 -12.856 34 HH21 ARG 3 HH21 ARG 3 0.469 8.981 -10.656 35 HH22 ARG 3 HH22 ARG 3 0.080 7.972 -12.017 36 H PHE 4 HN PHE 4 -5.900 8.917 -6.646 37 HA PHE 4 HA PHE 4 -5.390 6.442 -5.158 38 HB2 PHE 4 HB2 PHE 4 -7.833 8.176 -4.694 39 HB3 PHE 4 HB1 PHE 4 -7.405 6.695 -3.852 40 HD1 PHE 4 HD1 PHE 4 -5.455 6.689 -2.293 41 HD2 PHE 4 HD2 PHE 4 -7.001 10.267 -4.002 42 HE1 PHE 4 HE1 PHE 4 -4.299 8.012 -0.574 43 HE2 PHE 4 HE2 PHE 4 -5.846 11.594 -2.283 44 HZ PHE 4 HZ PHE 4 -4.492 10.464 -0.566 45 H GLU 5 HN GLU 5 -5.871 4.900 -6.607 46 HA GLU 5 HA GLU 5 -8.057 5.437 -8.503 47 HB2 GLU 5 HB2 GLU 5 -5.508 3.861 -8.969 48 HB3 GLU 5 HB1 GLU 5 -6.828 3.994 -10.119 49 HG2 GLU 5 HG2 GLU 5 -5.147 6.278 -9.120 50 HG3 GLU 5 HG1 GLU 5 -4.960 5.467 -10.673 51 H ILE 6 HN ILE 6 -9.417 4.555 -7.013 52 HA ILE 6 HA ILE 6 -9.080 1.731 -6.373 53 HB ILE 6 HB ILE 6 -11.054 3.826 -5.493 54 HG12 ILE 6 HG12 ILE 6 -8.945 2.421 -3.848 55 HG13 ILE 6 HG11 ILE 6 -8.666 3.955 -4.664 56 HG21 ILE 6 HG21 ILE 6 -11.992 2.191 -3.949 57 HG22 ILE 6 HG22 ILE 6 -10.789 0.995 -4.417 58 HG23 ILE 6 HG23 ILE 6 -12.034 1.477 -5.567 59 HD11 ILE 6 HD11 ILE 6 -10.701 3.431 -2.506 60 HD12 ILE 6 HD12 ILE 6 -10.467 4.966 -3.342 61 HD13 ILE 6 HD13 ILE 6 -9.181 4.309 -2.332 62 H HIS 7 HN HIS 7 -10.078 0.274 -7.486 63 HA HIS 7 HA HIS 7 -12.540 0.963 -8.972 64 HB2 HIS 7 HB2 HIS 7 -10.493 -1.199 -9.345 65 HB3 HIS 7 HB1 HIS 7 -12.144 -1.404 -9.921 66 HD1 HIS 7 HD1 HIS 7 -12.597 -0.493 -12.220 67 HD2 HIS 7 HD2 HIS 7 -9.187 1.169 -10.519 68 HE1 HIS 7 HE1 HIS 7 -11.586 0.959 -14.007 69 HE2 HIS 7 HE2 HIS 7 -9.626 2.085 -12.898 70 H GLY 8 HN GLY 8 -13.955 0.795 -7.234 71 HA2 GLY 8 HA2 GLY 8 -13.677 -1.749 -5.877 72 HA3 GLY 8 HA1 GLY 8 -14.216 -0.299 -5.048 73 H ASP 9 HN ASP 9 -15.249 -3.148 -6.421 74 HA ASP 9 HA ASP 9 -17.938 -2.114 -6.998 75 HB2 ASP 9 HB2 ASP 9 -16.745 -3.720 -8.601 76 HB3 ASP 9 HB1 ASP 9 -16.990 -4.957 -7.375 77 H ASN 10 HN ASN 10 -18.459 -1.682 -4.837 78 HA ASN 10 HA ASN 10 -18.775 -4.046 -3.102 79 HB2 ASN 10 HB2 ASN 10 -16.926 -2.434 -2.443 80 HB3 ASN 10 HB1 ASN 10 -18.173 -1.226 -2.187 81 HD21 ASN 10 HD21 ASN 10 -16.297 -2.267 -0.285 82 HD22 ASN 10 HD22 ASN 10 -17.217 -2.980 0.989 83 H LEU 11 HN LEU 11 -20.701 -4.240 -2.051 84 HA LEU 11 HA LEU 11 -22.960 -2.782 -2.938 85 HB2 LEU 11 HB2 LEU 11 -23.050 -5.103 -2.118 86 HB3 LEU 11 HB1 LEU 11 -22.629 -4.550 -0.511 87 HG LEU 11 HG LEU 11 -24.753 -3.246 -0.457 88 HD11 LEU 11 HD11 LEU 11 -26.488 -3.791 -2.102 89 HD12 LEU 11 HD12 LEU 11 -25.314 -4.732 -3.020 90 HD13 LEU 11 HD13 LEU 11 -25.105 -2.989 -2.848 91 HD21 LEU 11 HD21 LEU 11 -24.613 -5.421 0.605 92 HD22 LEU 11 HD22 LEU 11 -24.996 -6.215 -0.923 93 HD23 LEU 11 HD23 LEU 11 -26.202 -5.203 -0.130 94 H THR 12 HN THR 12 -20.656 -2.287 -0.427 95 HA THR 12 HA THR 12 -22.178 0.068 0.470 96 HB THR 12 HB THR 12 -20.392 -1.631 2.225 97 HG1 THR 12 HG1 THR 12 -23.012 -1.893 1.524 98 HG21 THR 12 HG21 THR 12 -21.327 -0.283 4.053 99 HG22 THR 12 HG22 THR 12 -22.238 0.672 2.886 100 HG23 THR 12 HG23 THR 12 -20.476 0.727 2.884 101 H ILE 13 HN ILE 13 -20.978 1.325 -1.072 102 HA ILE 13 HA ILE 13 -18.333 2.005 0.006 103 HB ILE 13 HB ILE 13 -18.023 2.908 -2.507 104 HG12 ILE 13 HG12 ILE 13 -18.610 0.865 -3.971 105 HG13 ILE 13 HG11 ILE 13 -19.769 0.463 -2.711 106 HG21 ILE 13 HG21 ILE 13 -16.637 0.847 -2.877 107 HG22 ILE 13 HG22 ILE 13 -17.284 0.238 -1.352 108 HG23 ILE 13 HG23 ILE 13 -16.334 1.722 -1.378 109 HD11 ILE 13 HD11 ILE 13 -20.873 2.618 -3.052 110 HD12 ILE 13 HD12 ILE 13 -20.837 1.650 -4.526 111 HD13 ILE 13 HD13 ILE 13 -19.718 2.999 -4.328 112 H THR 14 HN THR 14 -18.061 4.033 0.556 113 HA THR 14 HA THR 14 -19.634 6.135 -0.640 114 HB THR 14 HB THR 14 -21.150 5.369 1.093 115 HG1 THR 14 HG1 THR 14 -21.616 7.355 1.632 116 HG21 THR 14 HG21 THR 14 -18.893 5.861 3.026 117 HG22 THR 14 HG22 THR 14 -19.566 4.290 2.586 118 HG23 THR 14 HG23 THR 14 -20.552 5.456 3.469 119 H ASP 15 HN ASP 15 -19.117 8.177 1.029 120 HA ASP 15 HA ASP 15 -16.447 8.817 0.368 121 HB2 ASP 15 HB2 ASP 15 -18.264 10.479 0.604 122 HB3 ASP 15 HB1 ASP 15 -18.287 10.188 2.339 123 H ALA 16 HN ALA 16 -17.906 7.479 3.218 124 HA ALA 16 HA ALA 16 -16.126 7.862 5.258 125 HB1 ALA 16 HB1 ALA 16 -16.874 5.773 6.156 126 HB2 ALA 16 HB2 ALA 16 -17.312 5.190 4.545 127 HB3 ALA 16 HB3 ALA 16 -18.235 6.501 5.297 128 H ILE 17 HN ILE 17 -16.016 5.055 3.117 129 HA ILE 17 HA ILE 17 -13.537 4.089 4.026 130 HB ILE 17 HB ILE 17 -15.101 3.641 1.520 131 HG12 ILE 17 HG12 ILE 17 -15.179 1.271 2.701 132 HG13 ILE 17 HG11 ILE 17 -14.786 2.222 4.134 133 HG21 ILE 17 HG21 ILE 17 -12.586 2.203 2.369 134 HG22 ILE 17 HG22 ILE 17 -12.779 3.239 0.956 135 HG23 ILE 17 HG23 ILE 17 -13.640 1.703 1.045 136 HD11 ILE 17 HD11 ILE 17 -17.208 1.769 3.806 137 HD12 ILE 17 HD12 ILE 17 -17.151 2.771 2.356 138 HD13 ILE 17 HD13 ILE 17 -16.797 3.474 3.932 139 H ARG 18 HN ARG 18 -14.497 6.071 1.281 140 HA ARG 18 HA ARG 18 -12.077 6.163 -0.018 141 HB2 ARG 18 HB2 ARG 18 -14.086 7.100 -1.025 142 HB3 ARG 18 HB1 ARG 18 -14.181 8.327 0.231 143 HG2 ARG 18 HG2 ARG 18 -12.052 9.272 -0.564 144 HG3 ARG 18 HG1 ARG 18 -12.029 8.075 -1.859 145 HD2 ARG 18 HD2 ARG 18 -14.063 8.973 -2.785 146 HD3 ARG 18 HD1 ARG 18 -14.232 10.087 -1.430 147 HE ARG 18 HE ARG 18 -11.789 10.666 -2.512 148 HH11 ARG 18 HH11 ARG 18 -15.058 10.530 -3.746 149 HH12 ARG 18 HH12 ARG 18 -14.809 11.800 -4.903 150 HH21 ARG 18 HH21 ARG 18 -11.455 12.333 -4.029 151 HH22 ARG 18 HH22 ARG 18 -12.757 12.827 -5.061 152 H ASN 19 HN ASN 19 -13.420 8.295 2.473 153 HA ASN 19 HA ASN 19 -11.198 9.819 3.142 154 HB2 ASN 19 HB2 ASN 19 -13.527 8.759 4.709 155 HB3 ASN 19 HB1 ASN 19 -12.240 9.596 5.553 156 HD21 ASN 19 HD21 ASN 19 -11.744 11.441 3.323 157 HD22 ASN 19 HD22 ASN 19 -13.072 12.551 3.331 158 H TYR 20 HN TYR 20 -12.259 6.785 4.658 159 HA TYR 20 HA TYR 20 -10.271 6.283 6.439 160 HB2 TYR 20 HB2 TYR 20 -12.377 4.865 5.628 161 HB3 TYR 20 HB1 TYR 20 -11.153 4.007 4.704 162 HD1 TYR 20 HD1 TYR 20 -8.895 4.114 6.721 163 HD2 TYR 20 HD2 TYR 20 -13.032 3.224 7.152 164 HE1 TYR 20 HE1 TYR 20 -8.389 2.727 8.686 165 HE2 TYR 20 HE2 TYR 20 -12.536 1.838 9.119 166 HH TYR 20 HH TYR 20 -9.514 1.898 10.689 167 H ILE 21 HN ILE 21 -10.092 5.808 2.928 168 HA ILE 21 HA ILE 21 -7.631 4.278 3.155 169 HB ILE 21 HB ILE 21 -9.196 5.231 0.754 170 HG12 ILE 21 HG12 ILE 21 -10.503 3.617 1.993 171 HG13 ILE 21 HG11 ILE 21 -9.888 2.841 0.538 172 HG21 ILE 21 HG21 ILE 21 -6.860 4.881 0.194 173 HG22 ILE 21 HG22 ILE 21 -7.850 3.617 -0.536 174 HG23 ILE 21 HG23 ILE 21 -6.905 3.270 0.911 175 HD11 ILE 21 HD11 ILE 21 -9.738 1.345 2.423 176 HD12 ILE 21 HD12 ILE 21 -8.792 2.530 3.322 177 HD13 ILE 21 HD13 ILE 21 -8.121 1.784 1.871 178 H GLU 22 HN GLU 22 -8.957 7.367 2.403 179 HA GLU 22 HA GLU 22 -6.714 8.289 1.029 180 HB2 GLU 22 HB2 GLU 22 -8.957 9.279 0.718 181 HB3 GLU 22 HB1 GLU 22 -8.870 9.919 2.353 182 HG2 GLU 22 HG2 GLU 22 -6.940 11.280 1.707 183 HG3 GLU 22 HG1 GLU 22 -7.057 10.653 0.065 184 H GLU 23 HN GLU 23 -7.778 8.245 4.285 185 HA GLU 23 HA GLU 23 -5.724 10.005 5.283 186 HB2 GLU 23 HB2 GLU 23 -7.512 8.194 6.895 187 HB3 GLU 23 HB1 GLU 23 -6.744 9.695 7.403 188 HG2 GLU 23 HG2 GLU 23 -8.156 10.953 5.879 189 HG3 GLU 23 HG1 GLU 23 -8.909 9.446 5.318 190 H LYS 24 HN LYS 24 -6.362 6.510 5.160 191 HA LYS 24 HA LYS 24 -4.155 5.702 6.719 192 HB2 LYS 24 HB2 LYS 24 -6.127 4.337 5.876 193 HB3 LYS 24 HB1 LYS 24 -5.300 4.254 4.333 194 HG2 LYS 24 HG2 LYS 24 -3.480 3.025 5.320 195 HG3 LYS 24 HG1 LYS 24 -4.174 3.230 6.930 196 HD2 LYS 24 HD2 LYS 24 -6.207 2.013 6.112 197 HD3 LYS 24 HD1 LYS 24 -5.328 1.667 4.624 198 HE2 LYS 24 HE2 LYS 24 -5.162 -0.236 6.063 199 HE3 LYS 24 HE1 LYS 24 -3.584 0.543 5.987 200 HZ1 LYS 24 HZ1 LYS 24 -3.985 1.544 8.123 201 HZ2 LYS 24 HZ2 LYS 24 -4.202 -0.132 8.243 202 HZ3 LYS 24 HZ3 LYS 24 -5.545 0.895 8.185 203 H ILE 25 HN ILE 25 -4.488 5.832 3.181 204 HA ILE 25 HA ILE 25 -1.756 5.558 2.563 205 HB ILE 25 HB ILE 25 -3.879 6.969 0.938 206 HG12 ILE 25 HG12 ILE 25 -4.579 4.687 1.470 207 HG13 ILE 25 HG11 ILE 25 -4.174 4.828 -0.236 208 HG21 ILE 25 HG21 ILE 25 -2.460 6.411 -0.994 209 HG22 ILE 25 HG22 ILE 25 -1.246 5.759 0.106 210 HG23 ILE 25 HG23 ILE 25 -1.646 7.476 0.152 211 HD11 ILE 25 HD11 ILE 25 -2.502 3.576 1.924 212 HD12 ILE 25 HD12 ILE 25 -1.972 3.817 0.260 213 HD13 ILE 25 HD13 ILE 25 -3.338 2.756 0.605 214 H GLY 26 HN GLY 26 -3.803 8.320 3.289 215 HA2 GLY 26 HA2 GLY 26 -1.952 10.360 2.792 216 HA3 GLY 26 HA1 GLY 26 -3.264 10.436 3.959 217 H LYS 27 HN LYS 27 -2.243 8.135 5.521 218 HA LYS 27 HA LYS 27 -0.439 9.654 7.165 219 HB2 LYS 27 HB2 LYS 27 -2.035 7.220 7.450 220 HB3 LYS 27 HB1 LYS 27 -0.442 7.077 8.174 221 HG2 LYS 27 HG2 LYS 27 -2.019 7.812 9.830 222 HG3 LYS 27 HG1 LYS 27 -0.887 9.119 9.481 223 HD2 LYS 27 HD2 LYS 27 -2.559 10.129 7.981 224 HD3 LYS 27 HD1 LYS 27 -3.687 8.841 8.399 225 HE2 LYS 27 HE2 LYS 27 -2.488 10.816 10.336 226 HE3 LYS 27 HE1 LYS 27 -4.122 10.886 9.681 227 HZ1 LYS 27 HZ1 LYS 27 -4.102 9.907 11.882 228 HZ2 LYS 27 HZ2 LYS 27 -3.029 8.706 11.373 229 HZ3 LYS 27 HZ3 LYS 27 -4.594 8.760 10.740 230 H LEU 28 HN LEU 28 -0.441 7.012 4.921 231 HA LEU 28 HA LEU 28 2.279 6.308 5.277 232 HB2 LEU 28 HB2 LEU 28 0.661 5.972 2.785 233 HB3 LEU 28 HB1 LEU 28 2.044 5.017 3.305 234 HG LEU 28 HG LEU 28 -0.538 5.220 4.811 235 HD11 LEU 28 HD11 LEU 28 0.430 2.864 3.177 236 HD12 LEU 28 HD12 LEU 28 -0.656 4.082 2.525 237 HD13 LEU 28 HD13 LEU 28 -1.162 3.100 3.899 238 HD21 LEU 28 HD21 LEU 28 0.352 3.224 5.993 239 HD22 LEU 28 HD22 LEU 28 1.311 4.682 6.239 240 HD23 LEU 28 HD23 LEU 28 1.874 3.435 5.129 241 H GLU 29 HN GLU 29 0.649 8.715 3.362 242 HA GLU 29 HA GLU 29 2.921 9.445 1.777 243 HB2 GLU 29 HB2 GLU 29 0.645 9.779 0.949 244 HB3 GLU 29 HB1 GLU 29 0.302 10.874 2.277 245 HG2 GLU 29 HG2 GLU 29 2.524 11.485 0.376 246 HG3 GLU 29 HG1 GLU 29 0.856 11.808 -0.079 247 H ARG 30 HN ARG 30 1.517 10.509 4.811 248 HA ARG 30 HA ARG 30 2.834 12.954 5.004 249 HB2 ARG 30 HB2 ARG 30 1.744 11.164 7.046 250 HB3 ARG 30 HB1 ARG 30 2.483 12.677 7.490 251 HG2 ARG 30 HG2 ARG 30 0.112 12.359 5.656 252 HG3 ARG 30 HG1 ARG 30 0.022 12.784 7.363 253 HD2 ARG 30 HD2 ARG 30 -0.162 14.808 6.147 254 HD3 ARG 30 HD1 ARG 30 1.458 14.777 6.837 255 HE ARG 30 HE ARG 30 1.253 13.781 4.117 256 HH11 ARG 30 HH11 ARG 30 1.827 16.561 6.174 257 HH12 ARG 30 HH12 ARG 30 2.679 17.448 4.949 258 HH21 ARG 30 HH21 ARG 30 2.400 14.932 2.511 259 HH22 ARG 30 HH22 ARG 30 3.002 16.528 2.873 260 H TYR 31 HN TYR 31 4.184 9.879 5.138 261 HA TYR 31 HA TYR 31 6.454 10.538 6.748 262 HB2 TYR 31 HB2 TYR 31 6.030 8.406 4.650 263 HB3 TYR 31 HB1 TYR 31 7.513 8.568 5.579 264 HD1 TYR 31 HD1 TYR 31 4.313 7.056 5.467 265 HD2 TYR 31 HD2 TYR 31 7.252 8.519 8.169 266 HE1 TYR 31 HE1 TYR 31 3.356 5.663 7.253 267 HE2 TYR 31 HE2 TYR 31 6.304 7.130 9.963 268 HH TYR 31 HH TYR 31 4.179 4.618 9.409 269 H PHE 32 HN PHE 32 5.402 11.383 3.639 270 HA PHE 32 HA PHE 32 8.087 12.175 2.794 271 HB2 PHE 32 HB2 PHE 32 5.715 12.211 0.999 272 HB3 PHE 32 HB1 PHE 32 7.395 11.946 0.621 273 HD1 PHE 32 HD1 PHE 32 4.571 10.410 0.127 274 HD2 PHE 32 HD2 PHE 32 8.146 9.685 2.321 275 HE1 PHE 32 HE1 PHE 32 4.187 7.989 -0.050 276 HE2 PHE 32 HE2 PHE 32 7.768 7.267 2.137 277 HZ PHE 32 HZ PHE 32 5.788 6.414 0.954 278 H ASN 33 HN ASN 33 8.142 14.239 1.592 279 HA ASN 33 HA ASN 33 5.775 15.888 2.066 280 HB2 ASN 33 HB2 ASN 33 7.591 16.799 3.404 281 HB3 ASN 33 HB1 ASN 33 8.663 16.798 2.008 282 HD21 ASN 33 HD21 ASN 33 8.523 18.429 0.506 283 HD22 ASN 33 HD22 ASN 33 7.533 19.832 0.734 284 H ASP 34 HN ASP 34 8.637 15.731 -0.008 285 HA ASP 34 HA ASP 34 7.319 17.032 -2.117 286 HB2 ASP 34 HB2 ASP 34 10.091 15.945 -1.844 287 HB3 ASP 34 HB1 ASP 34 9.514 16.729 -3.310 288 H VAL 35 HN VAL 35 6.277 14.447 -1.380 289 HA VAL 35 HA VAL 35 7.064 12.314 -2.949 290 HB VAL 35 HB VAL 35 5.503 11.947 -1.191 291 HG11 VAL 35 HG11 VAL 35 3.205 12.798 -1.228 292 HG12 VAL 35 HG12 VAL 35 3.576 13.714 -2.689 293 HG13 VAL 35 HG13 VAL 35 4.391 14.101 -1.173 294 HG21 VAL 35 HG21 VAL 35 3.678 10.719 -2.333 295 HG22 VAL 35 HG22 VAL 35 5.277 10.367 -2.983 296 HG23 VAL 35 HG23 VAL 35 4.191 11.445 -3.856 297 HA PRO 36 HA PRO 36 6.132 13.946 -7.047 298 HB2 PRO 36 HB2 PRO 36 7.075 11.281 -7.877 299 HB3 PRO 36 HB1 PRO 36 7.684 12.876 -8.325 300 HG2 PRO 36 HG2 PRO 36 9.059 11.254 -6.692 301 HG3 PRO 36 HG1 PRO 36 9.064 13.015 -6.481 302 HD2 PRO 36 HD2 PRO 36 7.537 10.928 -4.973 303 HD3 PRO 36 HD1 PRO 36 8.359 12.382 -4.370 304 H ASN 37 HN ASN 37 5.413 10.612 -6.045 305 HA ASN 37 HA ASN 37 2.677 10.887 -6.848 306 HB2 ASN 37 HB2 ASN 37 3.614 10.383 -9.034 307 HB3 ASN 37 HB1 ASN 37 4.480 8.997 -8.380 308 HD21 ASN 37 HD21 ASN 37 3.381 7.102 -7.964 309 HD22 ASN 37 HD22 ASN 37 1.770 6.818 -8.520 310 H ALA 38 HN ALA 38 1.486 9.774 -5.489 311 HA ALA 38 HA ALA 38 2.363 7.092 -4.655 312 HB1 ALA 38 HB1 ALA 38 2.885 8.558 -2.769 313 HB2 ALA 38 HB2 ALA 38 1.536 7.489 -2.382 314 HB3 ALA 38 HB3 ALA 38 1.235 9.179 -2.778 315 H VAL 39 HN VAL 39 0.793 5.779 -5.397 316 HA VAL 39 HA VAL 39 -1.906 6.858 -5.743 317 HB VAL 39 HB VAL 39 -0.086 5.218 -7.426 318 HG11 VAL 39 HG11 VAL 39 -3.053 4.878 -7.669 319 HG12 VAL 39 HG12 VAL 39 -1.991 3.743 -6.817 320 HG13 VAL 39 HG13 VAL 39 -1.775 4.036 -8.554 321 HG21 VAL 39 HG21 VAL 39 -0.582 7.558 -7.946 322 HG22 VAL 39 HG22 VAL 39 -2.289 7.144 -8.127 323 HG23 VAL 39 HG23 VAL 39 -1.092 6.462 -9.229 324 H ALA 40 HN ALA 40 -3.669 5.420 -5.249 325 HA ALA 40 HA ALA 40 -2.868 2.749 -4.216 326 HB1 ALA 40 HB1 ALA 40 -4.802 2.857 -2.695 327 HB2 ALA 40 HB2 ALA 40 -5.163 4.488 -3.258 328 HB3 ALA 40 HB3 ALA 40 -3.670 4.169 -2.375 329 H HIS 41 HN HIS 41 -3.164 1.816 -6.234 330 HA HIS 41 HA HIS 41 -5.769 1.916 -7.516 331 HB2 HIS 41 HB2 HIS 41 -3.772 1.791 -8.930 332 HB3 HIS 41 HB1 HIS 41 -3.271 0.310 -8.133 333 HD1 HIS 41 HD1 HIS 41 -5.520 1.614 -10.789 334 HD2 HIS 41 HD2 HIS 41 -4.691 -2.007 -8.922 335 HE1 HIS 41 HE1 HIS 41 -6.585 -0.149 -12.227 336 HE2 HIS 41 HE2 HIS 41 -5.910 -2.334 -11.177 337 H VAL 42 HN VAL 42 -7.224 0.996 -6.117 338 HA VAL 42 HA VAL 42 -6.585 -1.663 -4.939 339 HB VAL 42 HB VAL 42 -7.717 0.902 -3.918 340 HG11 VAL 42 HG11 VAL 42 -8.487 -1.789 -2.861 341 HG12 VAL 42 HG12 VAL 42 -9.549 -0.645 -3.682 342 HG13 VAL 42 HG13 VAL 42 -8.860 -0.236 -2.109 343 HG21 VAL 42 HG21 VAL 42 -6.458 0.167 -1.919 344 HG22 VAL 42 HG22 VAL 42 -5.447 0.247 -3.372 345 HG23 VAL 42 HG23 VAL 42 -6.053 -1.318 -2.786 346 H LYS 43 HN LYS 43 -8.324 -2.999 -4.729 347 HA LYS 43 HA LYS 43 -10.757 -2.321 -6.264 348 HB2 LYS 43 HB2 LYS 43 -9.209 -3.515 -7.811 349 HB3 LYS 43 HB1 LYS 43 -9.135 -4.854 -6.679 350 HG2 LYS 43 HG2 LYS 43 -11.469 -5.335 -7.014 351 HG3 LYS 43 HG1 LYS 43 -11.646 -3.912 -8.041 352 HD2 LYS 43 HD2 LYS 43 -11.469 -5.945 -9.382 353 HD3 LYS 43 HD1 LYS 43 -10.090 -4.882 -9.660 354 HE2 LYS 43 HE2 LYS 43 -8.732 -6.236 -8.151 355 HE3 LYS 43 HE1 LYS 43 -10.115 -7.282 -7.833 356 HZ1 LYS 43 HZ1 LYS 43 -8.818 -6.904 -10.478 357 HZ2 LYS 43 HZ2 LYS 43 -10.122 -7.930 -10.153 358 HZ3 LYS 43 HZ3 LYS 43 -8.610 -8.244 -9.465 359 H VAL 44 HN VAL 44 -12.564 -3.321 -5.557 360 HA VAL 44 HA VAL 44 -12.300 -5.338 -3.449 361 HB VAL 44 HB VAL 44 -12.458 -2.967 -2.447 362 HG11 VAL 44 HG11 VAL 44 -14.033 -2.117 -4.058 363 HG12 VAL 44 HG12 VAL 44 -14.719 -2.026 -2.425 364 HG13 VAL 44 HG13 VAL 44 -15.220 -3.320 -3.530 365 HG21 VAL 44 HG21 VAL 44 -12.984 -4.989 -1.157 366 HG22 VAL 44 HG22 VAL 44 -14.639 -4.932 -1.756 367 HG23 VAL 44 HG23 VAL 44 -14.032 -3.642 -0.718 368 H LYS 45 HN LYS 45 -14.310 -6.382 -3.091 369 HA LYS 45 HA LYS 45 -16.544 -6.104 -4.870 370 HB2 LYS 45 HB2 LYS 45 -14.592 -8.386 -5.193 371 HB3 LYS 45 HB1 LYS 45 -16.264 -8.506 -5.711 372 HG2 LYS 45 HG2 LYS 45 -15.941 -6.720 -7.294 373 HG3 LYS 45 HG1 LYS 45 -14.294 -6.465 -6.714 374 HD2 LYS 45 HD2 LYS 45 -13.642 -8.657 -7.476 375 HD3 LYS 45 HD1 LYS 45 -15.306 -9.027 -7.936 376 HE2 LYS 45 HE2 LYS 45 -15.237 -7.211 -9.582 377 HE3 LYS 45 HE1 LYS 45 -13.566 -6.878 -9.134 378 HZ1 LYS 45 HZ1 LYS 45 -13.807 -8.261 -11.146 379 HZ2 LYS 45 HZ2 LYS 45 -14.511 -9.478 -10.203 380 HZ3 LYS 45 HZ3 LYS 45 -12.911 -9.014 -9.928 381 H THR 46 HN THR 46 -18.016 -6.256 -3.260 382 HA THR 46 HA THR 46 -18.385 -8.800 -1.998 383 HB THR 46 HB THR 46 -16.789 -8.051 -0.413 384 HG1 THR 46 HG1 THR 46 -18.296 -7.655 1.467 385 HG21 THR 46 HG21 THR 46 -16.985 -5.936 0.813 386 HG22 THR 46 HG22 THR 46 -18.368 -5.494 -0.186 387 HG23 THR 46 HG23 THR 46 -16.773 -5.670 -0.917 388 H TYR 47 HN TYR 47 -20.479 -9.141 -1.723 389 HA TYR 47 HA TYR 47 -22.238 -6.802 -1.400 390 HB2 TYR 47 HB2 TYR 47 -23.036 -9.521 -2.470 391 HB3 TYR 47 HB1 TYR 47 -24.019 -8.060 -2.443 392 HD1 TYR 47 HD1 TYR 47 -23.257 -6.086 -3.876 393 HD2 TYR 47 HD2 TYR 47 -21.681 -10.010 -4.312 394 HE1 TYR 47 HE1 TYR 47 -22.446 -5.507 -6.123 395 HE2 TYR 47 HE2 TYR 47 -20.862 -9.441 -6.556 396 HH TYR 47 HH TYR 47 -20.648 -6.284 -7.690 397 H SER 48 HN SER 48 -21.353 -7.127 0.811 398 HA SER 48 HA SER 48 -23.113 -8.366 2.586 399 HB2 SER 48 HB2 SER 48 -22.249 -10.486 1.755 400 HB3 SER 48 HB1 SER 48 -20.591 -9.934 1.973 401 HG SER 48 HG SER 48 -21.775 -11.331 3.666 402 H ASN 49 HN ASN 49 -22.322 -8.227 4.799 403 HA ASN 49 HA ASN 49 -20.349 -6.093 5.110 404 HB2 ASN 49 HB2 ASN 49 -22.559 -5.848 6.195 405 HB3 ASN 49 HB1 ASN 49 -22.265 -7.318 7.114 406 HD21 ASN 49 HD21 ASN 49 -21.390 -3.978 6.690 407 HD22 ASN 49 HD22 ASN 49 -20.604 -3.789 8.220 408 H SER 50 HN SER 50 -20.427 -9.394 5.074 409 HA SER 50 HA SER 50 -18.345 -9.625 7.115 410 HB2 SER 50 HB2 SER 50 -20.217 -11.792 6.157 411 HB3 SER 50 HB1 SER 50 -19.035 -11.943 7.456 412 HG SER 50 HG SER 50 -20.243 -10.688 8.740 413 H ALA 51 HN ALA 51 -18.410 -9.171 4.116 414 HA ALA 51 HA ALA 51 -16.343 -11.167 3.434 415 HB1 ALA 51 HB1 ALA 51 -18.844 -10.780 2.098 416 HB2 ALA 51 HB2 ALA 51 -17.556 -11.932 1.735 417 HB3 ALA 51 HB3 ALA 51 -17.510 -10.299 1.030 418 H THR 52 HN THR 52 -14.721 -10.434 2.017 419 HA THR 52 HA THR 52 -15.224 -8.188 0.540 420 HB THR 52 HB THR 52 -12.594 -7.805 1.793 421 HG1 THR 52 HG1 THR 52 -15.015 -7.306 3.149 422 HG21 THR 52 HG21 THR 52 -12.903 -5.639 1.175 423 HG22 THR 52 HG22 THR 52 -14.634 -5.682 1.508 424 HG23 THR 52 HG23 THR 52 -14.000 -6.413 0.033 425 H LYS 53 HN LYS 53 -14.560 -8.796 -1.492 426 HA LYS 53 HA LYS 53 -11.977 -10.143 -1.704 427 HB2 LYS 53 HB2 LYS 53 -14.110 -9.528 -3.760 428 HB3 LYS 53 HB1 LYS 53 -12.586 -10.302 -4.132 429 HG2 LYS 53 HG2 LYS 53 -13.165 -12.232 -2.865 430 HG3 LYS 53 HG1 LYS 53 -14.584 -11.430 -2.196 431 HD2 LYS 53 HD2 LYS 53 -15.476 -11.263 -4.533 432 HD3 LYS 53 HD1 LYS 53 -14.131 -12.280 -5.049 433 HE2 LYS 53 HE2 LYS 53 -16.172 -13.059 -2.968 434 HE3 LYS 53 HE1 LYS 53 -16.247 -13.530 -4.663 435 HZ1 LYS 53 HZ1 LYS 53 -15.294 -15.288 -3.344 436 HZ2 LYS 53 HZ2 LYS 53 -14.100 -14.258 -2.742 437 HZ3 LYS 53 HZ3 LYS 53 -14.114 -14.667 -4.382 438 H ILE 54 HN ILE 54 -10.245 -8.933 -1.921 439 HA ILE 54 HA ILE 54 -10.577 -6.203 -2.937 440 HB ILE 54 HB ILE 54 -8.782 -5.568 -1.236 441 HG12 ILE 54 HG12 ILE 54 -8.490 -8.081 -0.577 442 HG13 ILE 54 HG11 ILE 54 -8.419 -6.840 0.665 443 HG21 ILE 54 HG21 ILE 54 -11.595 -6.240 -0.518 444 HG22 ILE 54 HG22 ILE 54 -10.965 -4.752 -1.263 445 HG23 ILE 54 HG23 ILE 54 -10.554 -5.148 0.414 446 HD11 ILE 54 HD11 ILE 54 -10.744 -8.641 0.043 447 HD12 ILE 54 HD12 ILE 54 -10.774 -7.326 1.216 448 HD13 ILE 54 HD13 ILE 54 -9.697 -8.699 1.461 449 H GLU 55 HN GLU 55 -8.660 -5.093 -3.466 450 HA GLU 55 HA GLU 55 -6.226 -6.636 -3.755 451 HB2 GLU 55 HB2 GLU 55 -7.529 -6.972 -5.934 452 HB3 GLU 55 HB1 GLU 55 -7.350 -5.241 -6.176 453 HG2 GLU 55 HG2 GLU 55 -4.925 -5.467 -6.133 454 HG3 GLU 55 HG1 GLU 55 -5.097 -7.207 -5.915 455 H VAL 56 HN VAL 56 -4.497 -5.258 -3.968 456 HA VAL 56 HA VAL 56 -5.015 -2.380 -3.895 457 HB VAL 56 HB VAL 56 -4.370 -2.379 -1.698 458 HG11 VAL 56 HG11 VAL 56 -3.288 -5.084 -2.174 459 HG12 VAL 56 HG12 VAL 56 -4.874 -4.677 -1.527 460 HG13 VAL 56 HG13 VAL 56 -3.421 -4.306 -0.599 461 HG21 VAL 56 HG21 VAL 56 -1.640 -3.307 -2.633 462 HG22 VAL 56 HG22 VAL 56 -1.989 -2.270 -1.258 463 HG23 VAL 56 HG23 VAL 56 -2.221 -1.670 -2.895 464 H THR 57 HN THR 57 -3.630 -1.314 -4.996 465 HA THR 57 HA THR 57 -0.923 -2.309 -5.264 466 HB THR 57 HB THR 57 -2.315 -1.296 -7.760 467 HG1 THR 57 HG1 THR 57 -2.460 -3.771 -6.622 468 HG21 THR 57 HG21 THR 57 0.102 -1.056 -7.742 469 HG22 THR 57 HG22 THR 57 -0.378 -2.293 -8.905 470 HG23 THR 57 HG23 THR 57 0.283 -2.762 -7.340 471 H ILE 58 HN ILE 58 -0.091 -0.715 -4.233 472 HA ILE 58 HA ILE 58 -0.995 2.087 -4.651 473 HB ILE 58 HB ILE 58 -0.081 0.414 -2.333 474 HG12 ILE 58 HG12 ILE 58 -1.720 1.848 -1.098 475 HG13 ILE 58 HG11 ILE 58 -2.060 2.681 -2.603 476 HG21 ILE 58 HG21 ILE 58 0.510 2.409 -0.972 477 HG22 ILE 58 HG22 ILE 58 0.454 3.391 -2.436 478 HG23 ILE 58 HG23 ILE 58 1.651 2.105 -2.283 479 HD11 ILE 58 HD11 ILE 58 -2.730 0.445 -3.542 480 HD12 ILE 58 HD12 ILE 58 -3.772 1.108 -2.286 481 HD13 ILE 58 HD13 ILE 58 -2.627 -0.169 -1.892 482 HA PRO 59 HA PRO 59 3.392 2.220 -6.311 483 HB2 PRO 59 HB2 PRO 59 2.127 4.405 -7.858 484 HB3 PRO 59 HB1 PRO 59 3.138 3.065 -8.421 485 HG2 PRO 59 HG2 PRO 59 0.524 3.103 -8.919 486 HG3 PRO 59 HG1 PRO 59 1.348 1.585 -8.504 487 HD2 PRO 59 HD2 PRO 59 -0.281 3.387 -6.746 488 HD3 PRO 59 HD1 PRO 59 -0.354 1.620 -6.899 489 H LEU 60 HN LEU 60 4.201 3.094 -4.373 490 HA LEU 60 HA LEU 60 3.738 5.898 -3.798 491 HB2 LEU 60 HB2 LEU 60 5.445 3.740 -2.535 492 HB3 LEU 60 HB1 LEU 60 5.370 5.379 -1.967 493 HG LEU 60 HG LEU 60 3.105 3.405 -1.980 494 HD11 LEU 60 HD11 LEU 60 3.271 3.591 0.455 495 HD12 LEU 60 HD12 LEU 60 4.675 4.642 0.271 496 HD13 LEU 60 HD13 LEU 60 4.754 2.964 -0.264 497 HD21 LEU 60 HD21 LEU 60 2.230 5.614 -2.402 498 HD22 LEU 60 HD22 LEU 60 3.167 6.275 -1.063 499 HD23 LEU 60 HD23 LEU 60 1.857 5.136 -0.747 500 H LYS 61 HN LYS 61 6.110 6.954 -3.156 501 HA LYS 61 HA LYS 61 7.473 7.502 -5.522 502 HB2 LYS 61 HB2 LYS 61 8.806 7.358 -2.864 503 HB3 LYS 61 HB1 LYS 61 9.125 8.506 -4.161 504 HG2 LYS 61 HG2 LYS 61 6.836 9.470 -3.681 505 HG3 LYS 61 HG1 LYS 61 6.834 8.486 -2.215 506 HD2 LYS 61 HD2 LYS 61 8.825 10.629 -2.961 507 HD3 LYS 61 HD1 LYS 61 7.613 10.710 -1.684 508 HE2 LYS 61 HE2 LYS 61 8.735 9.041 -0.405 509 HE3 LYS 61 HE1 LYS 61 9.818 8.659 -1.742 510 HZ1 LYS 61 HZ1 LYS 61 10.770 10.879 -1.541 511 HZ2 LYS 61 HZ2 LYS 61 10.933 10.012 -0.100 512 HZ3 LYS 61 HZ3 LYS 61 9.754 11.215 -0.234 513 H ASN 62 HN ASN 62 8.258 5.462 -2.795 514 HA ASN 62 HA ASN 62 10.733 4.728 -3.827 515 HB2 ASN 62 HB2 ASN 62 9.251 3.702 -1.527 516 HB3 ASN 62 HB1 ASN 62 10.901 3.269 -1.861 517 HD21 ASN 62 HD21 ASN 62 11.591 5.950 -2.781 518 HD22 ASN 62 HD22 ASN 62 11.683 6.928 -1.358 519 H VAL 63 HN VAL 63 7.793 2.933 -3.143 520 HA VAL 63 HA VAL 63 8.490 0.934 -5.139 521 HB VAL 63 HB VAL 63 9.410 0.242 -2.954 522 HG11 VAL 63 HG11 VAL 63 6.540 0.238 -2.064 523 HG12 VAL 63 HG12 VAL 63 7.825 1.295 -1.484 524 HG13 VAL 63 HG13 VAL 63 7.891 -0.437 -1.152 525 HG21 VAL 63 HG21 VAL 63 8.483 -2.028 -2.922 526 HG22 VAL 63 HG22 VAL 63 8.786 -1.470 -4.567 527 HG23 VAL 63 HG23 VAL 63 7.141 -1.487 -3.930 528 H THR 64 HN THR 64 6.721 -0.409 -5.744 529 HA THR 64 HA THR 64 4.061 0.715 -5.176 530 HB THR 64 HB THR 64 4.977 -1.022 -7.482 531 HG1 THR 64 HG1 THR 64 5.547 1.416 -7.232 532 HG21 THR 64 HG21 THR 64 2.629 -1.382 -6.958 533 HG22 THR 64 HG22 THR 64 2.789 -0.488 -8.470 534 HG23 THR 64 HG23 THR 64 2.337 0.357 -6.990 535 H LEU 65 HN LEU 65 2.954 -0.467 -3.674 536 HA LEU 65 HA LEU 65 3.571 -3.327 -3.493 537 HB2 LEU 65 HB2 LEU 65 2.080 -1.510 -1.613 538 HB3 LEU 65 HB1 LEU 65 2.015 -3.251 -1.486 539 HG LEU 65 HG LEU 65 4.648 -3.047 -1.574 540 HD11 LEU 65 HD11 LEU 65 4.701 -0.612 -1.795 541 HD12 LEU 65 HD12 LEU 65 5.492 -1.139 -0.301 542 HD13 LEU 65 HD13 LEU 65 3.860 -0.454 -0.254 543 HD21 LEU 65 HD21 LEU 65 4.651 -3.142 0.876 544 HD22 LEU 65 HD22 LEU 65 3.418 -4.168 0.148 545 HD23 LEU 65 HD23 LEU 65 2.963 -2.629 0.879 546 H ARG 66 HN ARG 66 2.109 -4.896 -3.693 547 HA ARG 66 HA ARG 66 -0.626 -4.122 -4.381 548 HB2 ARG 66 HB2 ARG 66 0.584 -4.458 -6.382 549 HB3 ARG 66 HB1 ARG 66 1.105 -6.051 -5.940 550 HG2 ARG 66 HG2 ARG 66 -1.780 -5.294 -6.295 551 HG3 ARG 66 HG1 ARG 66 -0.774 -5.807 -7.644 552 HD2 ARG 66 HD2 ARG 66 -0.364 -7.936 -6.517 553 HD3 ARG 66 HD1 ARG 66 -1.367 -7.405 -5.166 554 HE ARG 66 HE ARG 66 -2.982 -7.147 -7.341 555 HH11 ARG 66 HH11 ARG 66 -1.114 -9.779 -6.008 556 HH12 ARG 66 HH12 ARG 66 -2.244 -10.999 -6.513 557 HH21 ARG 66 HH21 ARG 66 -4.471 -8.758 -8.019 558 HH22 ARG 66 HH22 ARG 66 -4.120 -10.429 -7.664 559 H ALA 67 HN ALA 67 -2.085 -5.420 -3.637 560 HA ALA 67 HA ALA 67 -1.386 -8.117 -2.662 561 HB1 ALA 67 HB1 ALA 67 -2.546 -7.793 -0.467 562 HB2 ALA 67 HB2 ALA 67 -2.569 -6.060 -0.782 563 HB3 ALA 67 HB3 ALA 67 -1.039 -6.910 -0.629 564 H GLU 68 HN GLU 68 -3.299 -9.422 -2.042 565 HA GLU 68 HA GLU 68 -5.878 -8.434 -2.947 566 HB2 GLU 68 HB2 GLU 68 -6.197 -10.460 -4.391 567 HB3 GLU 68 HB1 GLU 68 -5.005 -9.323 -5.013 568 HG2 GLU 68 HG2 GLU 68 -3.215 -10.699 -4.435 569 HG3 GLU 68 HG1 GLU 68 -4.197 -11.672 -3.343 570 H GLU 69 HN GLU 69 -7.600 -9.616 -2.067 571 HA GLU 69 HA GLU 69 -7.126 -12.144 -0.761 572 HB2 GLU 69 HB2 GLU 69 -6.495 -10.578 1.041 573 HB3 GLU 69 HB1 GLU 69 -8.057 -9.784 0.893 574 HG2 GLU 69 HG2 GLU 69 -9.195 -11.765 1.639 575 HG3 GLU 69 HG1 GLU 69 -7.689 -12.678 1.633 576 H ARG 70 HN ARG 70 -9.055 -13.327 -0.514 577 HA ARG 70 HA ARG 70 -11.319 -12.037 -1.875 578 HB2 ARG 70 HB2 ARG 70 -11.936 -14.208 -2.732 579 HB3 ARG 70 HB1 ARG 70 -10.246 -13.894 -3.098 580 HG2 ARG 70 HG2 ARG 70 -9.561 -15.335 -1.264 581 HG3 ARG 70 HG1 ARG 70 -11.252 -15.632 -0.858 582 HD2 ARG 70 HD2 ARG 70 -11.566 -16.571 -3.138 583 HD3 ARG 70 HD1 ARG 70 -9.832 -16.399 -3.403 584 HE ARG 70 HE ARG 70 -9.983 -17.839 -1.113 585 HH11 ARG 70 HH11 ARG 70 -11.370 -18.232 -4.294 586 HH12 ARG 70 HH12 ARG 70 -11.433 -19.959 -4.194 587 HH21 ARG 70 HH21 ARG 70 -10.051 -20.109 -0.978 588 HH22 ARG 70 HH22 ARG 70 -10.675 -21.031 -2.309 589 H ASN 71 HN ASN 71 -13.231 -11.989 -1.034 590 HA ASN 71 HA ASN 71 -14.670 -11.737 0.723 591 HB2 ASN 71 HB2 ASN 71 -15.902 -13.948 1.086 592 HB3 ASN 71 HB1 ASN 71 -15.830 -13.328 -0.543 593 HD21 ASN 71 HD21 ASN 71 -16.238 -15.846 0.823 594 HD22 ASN 71 HD22 ASN 71 -15.204 -16.914 0.011 595 H ASP 72 HN ASP 72 -12.766 -11.232 2.253 596 HA ASP 72 HA ASP 72 -13.512 -12.775 4.614 597 HB2 ASP 72 HB2 ASP 72 -11.237 -13.550 3.669 598 HB3 ASP 72 HB1 ASP 72 -10.624 -12.019 4.290 599 H ASP 73 HN ASP 73 -10.963 -10.309 4.338 600 HA ASP 73 HA ASP 73 -12.733 -8.227 5.405 601 HB2 ASP 73 HB2 ASP 73 -11.976 -9.455 7.437 602 HB3 ASP 73 HB1 ASP 73 -10.304 -9.151 6.976 603 H LEU 74 HN LEU 74 -12.504 -7.009 3.985 604 HA LEU 74 HA LEU 74 -10.738 -5.839 2.474 605 HB2 LEU 74 HB2 LEU 74 -12.918 -4.977 2.853 606 HB3 LEU 74 HB1 LEU 74 -12.553 -4.803 4.565 607 HG LEU 74 HG LEU 74 -11.239 -2.835 4.160 608 HD11 LEU 74 HD11 LEU 74 -11.584 -3.443 1.233 609 HD12 LEU 74 HD12 LEU 74 -10.079 -3.410 2.162 610 HD13 LEU 74 HD13 LEU 74 -10.970 -1.916 1.868 611 HD21 LEU 74 HD21 LEU 74 -13.640 -2.487 4.266 612 HD22 LEU 74 HD22 LEU 74 -13.769 -2.733 2.525 613 HD23 LEU 74 HD23 LEU 74 -12.897 -1.337 3.155 614 H TYR 75 HN TYR 75 -10.993 -5.126 5.904 615 HA TYR 75 HA TYR 75 -9.063 -3.117 5.677 616 HB2 TYR 75 HB2 TYR 75 -10.491 -4.295 8.055 617 HB3 TYR 75 HB1 TYR 75 -9.262 -3.047 8.218 618 HD1 TYR 75 HD1 TYR 75 -9.731 -1.424 5.981 619 HD2 TYR 75 HD2 TYR 75 -12.348 -3.431 8.582 620 HE1 TYR 75 HE1 TYR 75 -11.382 0.211 5.551 621 HE2 TYR 75 HE2 TYR 75 -14.017 -1.816 8.176 622 HH TYR 75 HH TYR 75 -13.998 0.346 5.636 623 H ALA 76 HN ALA 76 -9.079 -6.435 6.172 624 HA ALA 76 HA ALA 76 -6.501 -6.684 7.460 625 HB1 ALA 76 HB1 ALA 76 -8.429 -8.258 7.837 626 HB2 ALA 76 HB2 ALA 76 -6.909 -9.029 7.377 627 HB3 ALA 76 HB3 ALA 76 -8.189 -8.811 6.176 628 H GLY 77 HN GLY 77 -8.039 -6.913 4.306 629 HA2 GLY 77 HA2 GLY 77 -5.800 -8.024 2.950 630 HA3 GLY 77 HA1 GLY 77 -7.150 -7.137 2.243 631 H ILE 78 HN ILE 78 -7.022 -4.724 3.309 632 HA ILE 78 HA ILE 78 -4.819 -3.603 2.051 633 HB ILE 78 HB ILE 78 -6.990 -2.337 3.721 634 HG12 ILE 78 HG12 ILE 78 -6.484 -2.496 0.742 635 HG13 ILE 78 HG11 ILE 78 -7.757 -3.322 1.632 636 HG21 ILE 78 HG21 ILE 78 -6.249 -0.174 2.837 637 HG22 ILE 78 HG22 ILE 78 -4.875 -0.962 2.061 638 HG23 ILE 78 HG23 ILE 78 -4.994 -0.928 3.821 639 HD11 ILE 78 HD11 ILE 78 -7.494 -0.347 1.271 640 HD12 ILE 78 HD12 ILE 78 -8.768 -1.167 2.174 641 HD13 ILE 78 HD13 ILE 78 -8.627 -1.407 0.432 642 H ASP 79 HN ASP 79 -5.526 -4.288 5.499 643 HA ASP 79 HA ASP 79 -3.059 -2.988 6.404 644 HB2 ASP 79 HB2 ASP 79 -5.148 -4.650 7.731 645 HB3 ASP 79 HB1 ASP 79 -3.543 -4.577 8.455 646 H LEU 80 HN LEU 80 -3.887 -6.134 5.170 647 HA LEU 80 HA LEU 80 -1.390 -7.271 5.779 648 HB2 LEU 80 HB2 LEU 80 -3.408 -8.391 4.631 649 HB3 LEU 80 HB1 LEU 80 -2.847 -7.635 3.155 650 HG LEU 80 HG LEU 80 -1.104 -9.504 4.756 651 HD11 LEU 80 HD11 LEU 80 -1.781 -11.259 3.185 652 HD12 LEU 80 HD12 LEU 80 -2.985 -10.170 2.497 653 HD13 LEU 80 HD13 LEU 80 -3.131 -10.702 4.171 654 HD21 LEU 80 HD21 LEU 80 0.069 -9.765 2.631 655 HD22 LEU 80 HD22 LEU 80 0.036 -8.073 3.125 656 HD23 LEU 80 HD23 LEU 80 -1.054 -8.645 1.862 657 H ILE 81 HN ILE 81 -2.508 -5.502 2.879 658 HA ILE 81 HA ILE 81 0.111 -5.159 1.914 659 HB ILE 81 HB ILE 81 -2.220 -4.875 0.737 660 HG12 ILE 81 HG12 ILE 81 -0.996 -4.168 -1.127 661 HG13 ILE 81 HG11 ILE 81 -0.041 -3.024 -0.196 662 HG21 ILE 81 HG21 ILE 81 -1.476 -2.000 1.223 663 HG22 ILE 81 HG22 ILE 81 -2.758 -2.840 2.091 664 HG23 ILE 81 HG23 ILE 81 -2.875 -2.622 0.348 665 HD11 ILE 81 HD11 ILE 81 1.120 -5.096 -1.132 666 HD12 ILE 81 HD12 ILE 81 0.295 -5.982 0.149 667 HD13 ILE 81 HD13 ILE 81 1.412 -4.684 0.555 668 H ASN 82 HN ASN 82 -1.689 -3.168 4.176 669 HA ASN 82 HA ASN 82 -0.055 -0.827 3.777 670 HB2 ASN 82 HB2 ASN 82 -2.355 -0.540 4.497 671 HB3 ASN 82 HB1 ASN 82 -2.073 -1.548 5.905 672 HD21 ASN 82 HD21 ASN 82 -1.118 -0.696 7.703 673 HD22 ASN 82 HD22 ASN 82 -0.781 0.989 7.881 674 H ASN 83 HN ASN 83 -0.247 -3.470 6.026 675 HA ASN 83 HA ASN 83 1.708 -2.341 7.812 676 HB2 ASN 83 HB2 ASN 83 0.708 -3.799 9.195 677 HB3 ASN 83 HB1 ASN 83 -0.357 -4.238 7.826 678 HD21 ASN 83 HD21 ASN 83 2.475 -5.122 9.710 679 HD22 ASN 83 HD22 ASN 83 2.577 -6.756 9.151 680 H LYS 84 HN LYS 84 1.494 -4.867 5.350 681 HA LYS 84 HA LYS 84 4.265 -5.503 5.278 682 HB2 LYS 84 HB2 LYS 84 2.409 -6.787 4.127 683 HB3 LYS 84 HB1 LYS 84 2.363 -5.509 2.926 684 HG2 LYS 84 HG2 LYS 84 3.647 -7.308 2.044 685 HG3 LYS 84 HG1 LYS 84 4.749 -5.981 2.413 686 HD2 LYS 84 HD2 LYS 84 5.715 -8.091 3.124 687 HD3 LYS 84 HD1 LYS 84 5.347 -7.092 4.530 688 HE2 LYS 84 HE2 LYS 84 3.273 -8.359 4.872 689 HE3 LYS 84 HE1 LYS 84 3.659 -9.361 3.475 690 HZ1 LYS 84 HZ1 LYS 84 5.275 -9.158 5.955 691 HZ2 LYS 84 HZ2 LYS 84 5.636 -10.130 4.619 692 HZ3 LYS 84 HZ3 LYS 84 4.257 -10.444 5.544 693 H LEU 85 HN LEU 85 2.332 -2.920 3.965 694 HA LEU 85 HA LEU 85 4.183 -1.777 2.204 695 HB2 LEU 85 HB2 LEU 85 1.791 -1.134 2.339 696 HB3 LEU 85 HB1 LEU 85 2.099 -0.378 3.886 697 HG LEU 85 HG LEU 85 3.686 0.581 1.562 698 HD11 LEU 85 HD11 LEU 85 1.847 2.104 0.930 699 HD12 LEU 85 HD12 LEU 85 0.768 1.203 1.995 700 HD13 LEU 85 HD13 LEU 85 1.483 0.413 0.592 701 HD21 LEU 85 HD21 LEU 85 4.061 1.522 3.775 702 HD22 LEU 85 HD22 LEU 85 2.350 1.923 3.913 703 HD23 LEU 85 HD23 LEU 85 3.352 2.733 2.708 704 H GLU 86 HN GLU 86 3.423 -0.853 5.567 705 HA GLU 86 HA GLU 86 5.531 0.855 5.976 706 HB2 GLU 86 HB2 GLU 86 4.166 -1.105 7.796 707 HB3 GLU 86 HB1 GLU 86 5.421 -0.020 8.387 708 HG2 GLU 86 HG2 GLU 86 4.047 1.889 7.574 709 HG3 GLU 86 HG1 GLU 86 2.774 0.737 7.171 710 H ARG 87 HN ARG 87 5.471 -2.696 6.358 711 HA ARG 87 HA ARG 87 8.143 -2.962 7.136 712 HB2 ARG 87 HB2 ARG 87 6.445 -4.685 7.370 713 HB3 ARG 87 HB1 ARG 87 6.538 -4.893 5.651 714 HG2 ARG 87 HG2 ARG 87 7.794 -6.620 6.836 715 HG3 ARG 87 HG1 ARG 87 8.825 -5.644 5.788 716 HD2 ARG 87 HD2 ARG 87 9.839 -6.063 7.998 717 HD3 ARG 87 HD1 ARG 87 9.592 -4.349 7.680 718 HE ARG 87 HE ARG 87 7.389 -5.472 9.095 719 HH11 ARG 87 HH11 ARG 87 10.678 -4.340 9.516 720 HH12 ARG 87 HH12 ARG 87 10.454 -3.920 11.184 721 HH21 ARG 87 HH21 ARG 87 7.089 -4.906 11.288 722 HH22 ARG 87 HH22 ARG 87 8.413 -4.232 12.189 723 H GLN 88 HN GLN 88 6.774 -2.846 3.887 724 HA GLN 88 HA GLN 88 9.255 -3.870 2.722 725 HB2 GLN 88 HB2 GLN 88 6.476 -3.802 1.956 726 HB3 GLN 88 HB1 GLN 88 7.447 -3.038 0.709 727 HG2 GLN 88 HG2 GLN 88 7.807 -5.822 1.796 728 HG3 GLN 88 HG1 GLN 88 7.127 -5.386 0.230 729 HE21 GLN 88 HE21 GLN 88 10.000 -5.753 2.103 730 HE22 GLN 88 HE22 GLN 88 11.129 -5.534 0.812 731 H VAL 89 HN VAL 89 7.120 -1.147 2.589 732 HA VAL 89 HA VAL 89 8.494 0.591 1.016 733 HB VAL 89 HB VAL 89 6.581 0.849 3.251 734 HG11 VAL 89 HG11 VAL 89 7.988 3.230 2.000 735 HG12 VAL 89 HG12 VAL 89 8.077 2.733 3.690 736 HG13 VAL 89 HG13 VAL 89 6.555 3.321 3.022 737 HG21 VAL 89 HG21 VAL 89 5.259 1.975 1.501 738 HG22 VAL 89 HG22 VAL 89 5.778 0.357 1.036 739 HG23 VAL 89 HG23 VAL 89 6.603 1.769 0.378 740 H ARG 90 HN ARG 90 8.720 0.142 4.501 741 HA ARG 90 HA ARG 90 10.824 2.018 4.852 742 HB2 ARG 90 HB2 ARG 90 9.877 -0.226 6.600 743 HB3 ARG 90 HB1 ARG 90 11.301 0.738 6.999 744 HG2 ARG 90 HG2 ARG 90 9.900 2.768 6.947 745 HG3 ARG 90 HG1 ARG 90 8.487 1.762 6.626 746 HD2 ARG 90 HD2 ARG 90 10.252 1.596 9.063 747 HD3 ARG 90 HD1 ARG 90 8.665 2.358 8.997 748 HE ARG 90 HE ARG 90 8.260 -0.208 8.132 749 HH11 ARG 90 HH11 ARG 90 9.594 1.261 11.017 750 HH12 ARG 90 HH12 ARG 90 9.054 -0.009 12.070 751 HH21 ARG 90 HH21 ARG 90 7.565 -1.903 9.520 752 HH22 ARG 90 HH22 ARG 90 7.909 -1.806 11.218 753 H LYS 91 HN LYS 91 10.839 -1.528 4.404 754 HA LYS 91 HA LYS 91 13.566 -1.818 4.805 755 HB2 LYS 91 HB2 LYS 91 11.591 -3.376 3.466 756 HB3 LYS 91 HB1 LYS 91 13.247 -3.824 3.211 757 HG2 LYS 91 HG2 LYS 91 13.440 -3.893 5.731 758 HG3 LYS 91 HG1 LYS 91 11.683 -3.752 5.779 759 HD2 LYS 91 HD2 LYS 91 12.220 -6.067 5.949 760 HD3 LYS 91 HD1 LYS 91 11.569 -5.794 4.332 761 HE2 LYS 91 HE2 LYS 91 13.812 -5.761 3.407 762 HE3 LYS 91 HE1 LYS 91 14.503 -5.932 5.019 763 HZ1 LYS 91 HZ1 LYS 91 14.474 -8.040 3.878 764 HZ2 LYS 91 HZ2 LYS 91 12.808 -7.929 3.624 765 HZ3 LYS 91 HZ3 LYS 91 13.414 -8.094 5.194 766 H TYR 92 HN TYR 92 11.733 -0.973 1.994 767 HA TYR 92 HA TYR 92 13.946 -1.079 0.186 768 HB2 TYR 92 HB2 TYR 92 11.490 -1.221 -0.455 769 HB3 TYR 92 HB1 TYR 92 11.417 0.522 -0.214 770 HD1 TYR 92 HD1 TYR 92 12.646 2.038 -1.732 771 HD2 TYR 92 HD2 TYR 92 12.572 -2.166 -2.377 772 HE1 TYR 92 HE1 TYR 92 13.461 2.381 -4.027 773 HE2 TYR 92 HE2 TYR 92 13.386 -1.836 -4.672 774 HH TYR 92 HH TYR 92 13.382 -0.024 -6.386 775 H LYS 93 HN LYS 93 12.200 1.659 1.715 776 HA LYS 93 HA LYS 93 13.925 3.614 0.599 777 HB2 LYS 93 HB2 LYS 93 12.862 5.221 2.029 778 HB3 LYS 93 HB1 LYS 93 11.635 4.124 1.422 779 HG2 LYS 93 HG2 LYS 93 11.433 3.045 3.493 780 HG3 LYS 93 HG1 LYS 93 12.907 3.782 4.117 781 HD2 LYS 93 HD2 LYS 93 11.012 4.888 5.100 782 HD3 LYS 93 HD1 LYS 93 11.791 5.998 3.971 783 HE2 LYS 93 HE2 LYS 93 10.107 5.443 2.279 784 HE3 LYS 93 HE1 LYS 93 9.329 4.346 3.420 785 HZ1 LYS 93 HZ1 LYS 93 9.551 7.294 3.613 786 HZ2 LYS 93 HZ2 LYS 93 9.062 6.320 4.906 787 HZ3 LYS 93 HZ3 LYS 93 8.140 6.362 3.494 788 H THR 94 HN THR 94 13.935 1.876 3.664 789 HA THR 94 HA THR 94 16.063 3.370 4.798 790 HB THR 94 HB THR 94 14.775 0.731 5.495 791 HG1 THR 94 HG1 THR 94 14.613 3.368 6.294 792 HG21 THR 94 HG21 THR 94 17.124 2.012 6.911 793 HG22 THR 94 HG22 THR 94 17.145 0.471 6.053 794 HG23 THR 94 HG23 THR 94 16.177 0.652 7.517 795 H ARG 95 HN ARG 95 15.927 0.284 3.000 796 HA ARG 95 HA ARG 95 18.683 -0.266 3.123 797 HB2 ARG 95 HB2 ARG 95 17.220 -1.999 2.377 798 HB3 ARG 95 HB1 ARG 95 16.599 -1.004 1.071 799 HG2 ARG 95 HG2 ARG 95 18.101 -2.724 0.240 800 HG3 ARG 95 HG1 ARG 95 18.750 -1.112 -0.061 801 HD2 ARG 95 HD2 ARG 95 20.214 -1.350 1.894 802 HD3 ARG 95 HD1 ARG 95 19.572 -2.969 2.171 803 HE ARG 95 HE ARG 95 20.451 -3.274 -0.285 804 HH11 ARG 95 HH11 ARG 95 22.007 -1.571 2.354 805 HH12 ARG 95 HH12 ARG 95 23.613 -1.897 1.782 806 HH21 ARG 95 HH21 ARG 95 22.563 -3.707 -1.034 807 HH22 ARG 95 HH22 ARG 95 23.930 -3.129 -0.135 808 H ILE 96 HN ILE 96 16.790 1.521 0.659 809 HA ILE 96 HA ILE 96 19.093 2.072 -0.917 810 HB ILE 96 HB ILE 96 16.754 2.156 -1.807 811 HG12 ILE 96 HG12 ILE 96 17.143 4.147 -3.263 812 HG13 ILE 96 HG11 ILE 96 18.478 4.608 -2.212 813 HG21 ILE 96 HG21 ILE 96 16.651 4.830 -0.428 814 HG22 ILE 96 HG22 ILE 96 15.728 3.399 0.026 815 HG23 ILE 96 HG23 ILE 96 15.438 4.177 -1.530 816 HD11 ILE 96 HD11 ILE 96 18.306 2.057 -3.796 817 HD12 ILE 96 HD12 ILE 96 19.660 2.570 -2.788 818 HD13 ILE 96 HD13 ILE 96 19.242 3.485 -4.238 819 H ASN 97 HN ASN 97 17.561 3.705 1.779 820 HA ASN 97 HA ASN 97 18.955 6.155 1.589 821 HB2 ASN 97 HB2 ASN 97 16.949 5.775 3.027 822 HB3 ASN 97 HB1 ASN 97 17.942 4.797 4.100 823 HD21 ASN 97 HD21 ASN 97 19.030 7.727 2.504 824 HD22 ASN 97 HD22 ASN 97 19.176 8.674 3.941 825 H ARG 98 HN ARG 98 19.638 3.170 3.414 826 HA ARG 98 HA ARG 98 22.124 4.128 4.452 827 HB2 ARG 98 HB2 ARG 98 21.138 1.289 4.125 828 HB3 ARG 98 HB1 ARG 98 22.529 1.777 5.082 829 HG2 ARG 98 HG2 ARG 98 19.656 2.523 5.588 830 HG3 ARG 98 HG1 ARG 98 20.623 1.369 6.507 831 HD2 ARG 98 HD2 ARG 98 22.145 3.179 7.156 832 HD3 ARG 98 HD1 ARG 98 21.155 4.325 6.255 833 HE ARG 98 HE ARG 98 20.048 2.782 8.502 834 HH11 ARG 98 HH11 ARG 98 20.719 5.839 6.937 835 HH12 ARG 98 HH12 ARG 98 19.797 6.771 8.073 836 HH21 ARG 98 HH21 ARG 98 18.825 4.008 9.997 837 HH22 ARG 98 HH22 ARG 98 18.711 5.730 9.802 838 H LYS 99 HN LYS 99 21.169 2.535 1.518 839 HA LYS 99 HA LYS 99 23.801 1.743 0.723 840 HB2 LYS 99 HB2 LYS 99 21.609 0.724 -0.053 841 HB3 LYS 99 HB1 LYS 99 21.398 2.150 -1.059 842 HG2 LYS 99 HG2 LYS 99 23.465 1.612 -2.250 843 HG3 LYS 99 HG1 LYS 99 23.664 0.176 -1.245 844 HD2 LYS 99 HD2 LYS 99 21.486 -0.656 -2.075 845 HD3 LYS 99 HD1 LYS 99 21.389 0.742 -3.144 846 HE2 LYS 99 HE2 LYS 99 23.495 -1.415 -3.190 847 HE3 LYS 99 HE1 LYS 99 22.199 -1.190 -4.364 848 HZ1 LYS 99 HZ1 LYS 99 24.521 0.592 -3.872 849 HZ2 LYS 99 HZ2 LYS 99 23.192 1.036 -4.827 850 HZ3 LYS 99 HZ3 LYS 99 24.156 -0.273 -5.285 851 H SER 100 HN SER 100 21.867 4.616 0.426 852 HA SER 100 HA SER 100 23.515 5.768 -1.646 853 HB2 SER 100 HB2 SER 100 21.277 6.983 -0.017 854 HB3 SER 100 HB1 SER 100 22.057 7.741 -1.406 855 HG SER 100 HG SER 100 20.589 5.302 -1.394 856 H ARG 101 HN ARG 101 24.716 5.046 0.956 857 HA ARG 101 HA ARG 101 25.592 7.608 2.003 858 HB2 ARG 101 HB2 ARG 101 26.225 4.745 2.677 859 HB3 ARG 101 HB1 ARG 101 27.186 6.065 3.326 860 HG2 ARG 101 HG2 ARG 101 24.208 5.837 3.680 861 HG3 ARG 101 HG1 ARG 101 25.390 5.223 4.835 862 HD2 ARG 101 HD2 ARG 101 26.340 7.540 4.950 863 HD3 ARG 101 HD1 ARG 101 24.967 8.082 3.987 864 HE ARG 101 HE ARG 101 23.636 6.991 5.932 865 HH11 ARG 101 HH11 ARG 101 26.608 8.814 6.183 866 HH12 ARG 101 HH12 ARG 101 26.301 9.349 7.804 867 HH21 ARG 101 HH21 ARG 101 23.213 7.708 8.071 868 HH22 ARG 101 HH22 ARG 101 24.377 8.702 8.884 869 H ASP 102 HN ASP 102 26.090 6.275 -0.763 870 HA ASP 102 HA ASP 102 27.643 6.341 -2.390 871 HB2 ASP 102 HB2 ASP 102 28.984 8.278 -0.502 872 HB3 ASP 102 HB1 ASP 102 29.557 7.950 -2.135 873 H ARG 103 HN ARG 103 27.724 4.119 -1.092 874 HA ARG 103 HA ARG 103 30.357 3.468 -0.109 875 HB2 ARG 103 HB2 ARG 103 27.972 1.746 -0.822 876 HB3 ARG 103 HB1 ARG 103 29.463 1.126 -0.133 877 HG2 ARG 103 HG2 ARG 103 27.709 3.169 1.207 878 HG3 ARG 103 HG1 ARG 103 27.625 1.432 1.505 879 HD2 ARG 103 HD2 ARG 103 30.000 1.471 2.177 880 HD3 ARG 103 HD1 ARG 103 30.007 3.221 1.962 881 HE ARG 103 HE ARG 103 27.953 2.754 3.698 882 HH11 ARG 103 HH11 ARG 103 31.365 1.968 3.648 883 HH12 ARG 103 HH12 ARG 103 31.524 1.997 5.376 884 HH21 ARG 103 HH21 ARG 103 28.155 2.798 5.957 885 HH22 ARG 103 HH22 ARG 103 29.694 2.478 6.692 886 H GLY 104 HN GLY 104 28.593 3.400 -3.088 887 HA2 GLY 104 HA2 GLY 104 29.256 2.929 -5.239 888 HA3 GLY 104 HA1 GLY 104 30.911 2.840 -4.648 889 H ASP 105 HN ASP 105 27.872 1.035 -4.398 890 HA ASP 105 HA ASP 105 29.063 -1.391 -3.614 891 HB2 ASP 105 HB2 ASP 105 26.406 -0.991 -5.004 892 HB3 ASP 105 HB1 ASP 105 26.894 -2.408 -4.084 893 H GLN 106 HN GLN 106 28.372 0.001 -6.731 894 HA GLN 106 HA GLN 106 28.941 -2.440 -8.164 895 HB2 GLN 106 HB2 GLN 106 28.511 0.394 -9.121 896 HB3 GLN 106 HB1 GLN 106 28.736 -0.990 -10.181 897 HG2 GLN 106 HG2 GLN 106 26.712 -2.013 -9.289 898 HG3 GLN 106 HG1 GLN 106 26.488 -0.634 -8.213 899 HE21 GLN 106 HE21 GLN 106 25.826 1.326 -9.056 900 HE22 GLN 106 HE22 GLN 106 25.153 1.467 -10.642 901 H GLU 107 HN GLU 107 30.478 0.772 -7.931 902 HA GLU 107 HA GLU 107 32.936 -0.412 -8.999 903 HB2 GLU 107 HB2 GLU 107 32.282 2.503 -8.543 904 HB3 GLU 107 HB1 GLU 107 33.678 1.865 -9.402 905 HG2 GLU 107 HG2 GLU 107 30.795 1.696 -10.244 906 HG3 GLU 107 HG1 GLU 107 32.069 2.660 -10.988 907 H VAL 108 HN VAL 108 33.715 -1.474 -7.168 908 HA VAL 108 HA VAL 108 34.228 0.201 -4.813 909 HB VAL 108 HB VAL 108 34.592 -2.773 -4.804 910 HG11 VAL 108 HG11 VAL 108 35.382 -1.514 -2.883 911 HG12 VAL 108 HG12 VAL 108 34.011 -2.526 -2.437 912 HG13 VAL 108 HG13 VAL 108 33.786 -0.795 -2.676 913 HG21 VAL 108 HG21 VAL 108 32.267 -3.062 -4.077 914 HG22 VAL 108 HG22 VAL 108 32.370 -2.458 -5.730 915 HG23 VAL 108 HG23 VAL 108 31.955 -1.360 -4.414 916 H PHE 109 HN PHE 109 35.709 -0.575 -7.498 917 HA PHE 109 HA PHE 109 38.354 -0.667 -6.229 918 HB2 PHE 109 HB2 PHE 109 37.459 -2.331 -8.590 919 HB3 PHE 109 HB1 PHE 109 39.133 -2.170 -8.071 920 HD1 PHE 109 HD1 PHE 109 39.725 -2.909 -5.715 921 HD2 PHE 109 HD2 PHE 109 36.058 -3.930 -7.618 922 HE1 PHE 109 HE1 PHE 109 39.413 -4.755 -4.120 923 HE2 PHE 109 HE2 PHE 109 35.741 -5.777 -6.027 924 HZ PHE 109 HZ PHE 109 37.420 -6.190 -4.272 925 H VAL 110 HN VAL 110 37.231 1.674 -6.977 926 HA VAL 110 HA VAL 110 38.774 2.362 -9.377 927 HB VAL 110 HB VAL 110 36.455 2.555 -9.981 928 HG11 VAL 110 HG11 VAL 110 34.886 4.022 -8.826 929 HG12 VAL 110 HG12 VAL 110 36.108 4.378 -7.606 930 HG13 VAL 110 HG13 VAL 110 35.467 2.743 -7.759 931 HG21 VAL 110 HG21 VAL 110 37.937 4.249 -10.879 932 HG22 VAL 110 HG22 VAL 110 37.652 5.276 -9.474 933 HG23 VAL 110 HG23 VAL 110 36.335 4.929 -10.594
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