NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
492175 | 2k4b | 15793 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PHE 31 H1 PHE 31 -12.450 14.851 -19.168 2 HA PHE 31 HA PHE 31 -9.568 14.978 -18.595 3 HB2 PHE 31 HB2 PHE 31 -12.025 15.510 -16.906 4 HB3 PHE 31 HB3 PHE 31 -10.597 14.813 -16.167 5 HD1 PHE 31 HD2 PHE 31 -11.636 17.806 -18.251 6 HD2 PHE 31 HD1 PHE 31 -8.925 16.182 -15.296 7 HE1 PHE 31 HE2 PHE 31 -10.612 20.037 -17.950 8 HE2 PHE 31 HE1 PHE 31 -7.924 18.425 -14.989 9 HZ PHE 31 HZ PHE 31 -8.747 20.351 -16.337 10 H ASN 32 H ASN 32 -8.633 13.101 -17.833 11 HA ASN 32 HA ASN 32 -10.169 10.998 -16.664 12 HB2 ASN 32 HB2 ASN 32 -10.275 10.566 -19.266 13 HB3 ASN 32 HB3 ASN 32 -8.599 10.039 -19.085 14 HD21 ASN 32 HD22 ASN 32 -10.595 8.105 -19.965 15 HD22 ASN 32 HD21 ASN 32 -10.902 7.093 -18.574 16 H VAL 33 H VAL 33 -8.434 9.094 -16.194 17 HA VAL 33 HA VAL 33 -5.792 10.196 -15.353 18 HB VAL 33 HB VAL 33 -6.175 9.347 -13.044 19 HG11 VAL 33 HG11 VAL 33 -8.149 11.526 -13.821 20 HG12 VAL 33 HG12 VAL 33 -7.434 11.235 -12.229 21 HG13 VAL 33 HG13 VAL 33 -6.408 11.750 -13.568 22 HG21 VAL 33 HG21 VAL 33 -8.084 7.798 -13.504 23 HG22 VAL 33 HG22 VAL 33 -8.416 8.939 -12.196 24 HG23 VAL 33 HG23 VAL 33 -9.129 9.201 -13.795 25 H SER 34 H SER 34 -4.584 8.317 -14.096 26 HA SER 34 HA SER 34 -4.978 5.716 -15.537 27 HB2 SER 34 HB2 SER 34 -3.419 7.402 -16.674 28 HB3 SER 34 HB3 SER 34 -2.318 7.151 -15.302 29 HG SER 34 HG SER 34 -3.155 5.321 -17.323 30 H ASN 35 H ASN 35 -5.664 6.190 -12.873 31 HA ASN 35 HA ASN 35 -3.753 4.565 -11.260 32 HB2 ASN 35 HB2 ASN 35 -5.390 7.022 -10.482 33 HB3 ASN 35 HB3 ASN 35 -4.772 5.884 -9.293 34 HD21 ASN 35 HD22 ASN 35 -3.726 7.966 -8.525 35 HD22 ASN 35 HD21 ASN 35 -2.094 8.182 -9.130 36 H ALA 36 H ALA 36 -4.822 3.255 -9.558 37 HA ALA 36 HA ALA 36 -7.205 1.894 -10.491 38 HB1 ALA 36 HB1 ALA 36 -5.539 1.650 -7.941 39 HB2 ALA 36 HB2 ALA 36 -6.828 0.537 -8.397 40 HB3 ALA 36 HB3 ALA 36 -5.373 0.668 -9.419 41 H GLU 37 H GLU 37 -6.546 3.787 -7.525 42 HA GLU 37 HA GLU 37 -9.210 4.715 -7.035 43 HB2 GLU 37 HB2 GLU 37 -8.591 2.001 -6.217 44 HB3 GLU 37 HB3 GLU 37 -8.646 2.979 -4.759 45 HG2 GLU 37 HG2 GLU 37 -10.860 2.949 -6.870 46 HG3 GLU 37 HG3 GLU 37 -10.795 1.837 -5.507 47 H LEU 38 H LEU 38 -9.179 5.973 -5.022 48 HA LEU 38 HA LEU 38 -6.500 7.116 -4.448 49 HB2 LEU 38 HB2 LEU 38 -7.708 8.745 -3.097 50 HB3 LEU 38 HB3 LEU 38 -8.256 8.735 -4.749 51 HG LEU 38 HG LEU 38 -9.849 6.993 -2.918 52 HD11 LEU 38 HD11 LEU 38 -9.988 10.000 -2.625 53 HD12 LEU 38 HD12 LEU 38 -11.066 8.802 -1.875 54 HD13 LEU 38 HD13 LEU 38 -9.361 8.863 -1.402 55 HD21 LEU 38 HD21 LEU 38 -10.485 7.451 -5.294 56 HD22 LEU 38 HD22 LEU 38 -11.717 7.956 -4.137 57 HD23 LEU 38 HD23 LEU 38 -10.650 9.174 -4.883 58 H ILE 39 H ILE 39 -8.764 4.887 -3.037 59 HA ILE 39 HA ILE 39 -8.667 4.989 -0.392 60 HB ILE 39 HB ILE 39 -8.514 2.601 -2.204 61 HG12 ILE 39 HG12 ILE 39 -10.735 3.647 -0.382 62 HG13 ILE 39 HG13 ILE 39 -10.493 4.269 -2.004 63 HG21 ILE 39 HG21 ILE 39 -8.922 2.452 0.822 64 HG22 ILE 39 HG22 ILE 39 -9.169 1.124 -0.333 65 HG23 ILE 39 HG23 ILE 39 -7.559 1.748 -0.076 66 HD11 ILE 39 HD11 ILE 39 -11.147 1.413 -1.275 67 HD12 ILE 39 HD12 ILE 39 -12.185 2.589 -2.104 68 HD13 ILE 39 HD13 ILE 39 -10.727 1.956 -2.913 69 H VAL 40 H VAL 40 -6.083 3.176 -2.065 70 HA VAL 40 HA VAL 40 -4.500 2.792 0.340 71 HB VAL 40 HB VAL 40 -2.801 1.875 -1.154 72 HG11 VAL 40 HG11 VAL 40 -5.564 1.014 -2.109 73 HG12 VAL 40 HG12 VAL 40 -4.068 0.062 -2.118 74 HG13 VAL 40 HG13 VAL 40 -4.811 0.521 -0.579 75 HG21 VAL 40 HG21 VAL 40 -2.903 3.450 -3.067 76 HG22 VAL 40 HG22 VAL 40 -3.065 1.777 -3.585 77 HG23 VAL 40 HG23 VAL 40 -4.498 2.815 -3.516 78 H MET 41 H MET 41 -4.596 5.503 -1.861 79 HA MET 41 HA MET 41 -1.901 6.441 -1.046 80 HB2 MET 41 HB2 MET 41 -2.849 6.714 -3.386 81 HB3 MET 41 HB3 MET 41 -4.001 7.881 -2.728 82 HG2 MET 41 HG2 MET 41 -2.135 9.308 -1.980 83 HG3 MET 41 HG3 MET 41 -0.971 8.089 -2.503 84 HE1 MET 41 HE1 MET 41 0.442 9.755 -3.916 85 HE2 MET 41 HE2 MET 41 -0.246 10.901 -5.085 86 HE3 MET 41 HE3 MET 41 -0.614 11.073 -3.356 87 H ARG 42 H ARG 42 -5.330 7.191 -0.471 88 HA ARG 42 HA ARG 42 -5.026 9.489 1.167 89 HB2 ARG 42 HB2 ARG 42 -7.149 7.952 0.167 90 HB3 ARG 42 HB3 ARG 42 -7.310 7.728 1.896 91 HG2 ARG 42 HG2 ARG 42 -7.111 10.442 0.504 92 HG3 ARG 42 HG3 ARG 42 -8.627 9.619 0.848 93 HD2 ARG 42 HD2 ARG 42 -8.221 9.763 3.272 94 HD3 ARG 42 HD3 ARG 42 -6.658 10.528 2.980 95 HE ARG 42 HE ARG 42 -7.690 12.545 2.468 96 HH11 ARG 42 HH11 ARG 42 -10.323 10.255 3.084 97 HH12 ARG 42 HH12 ARG 42 -11.494 11.486 2.707 98 HH21 ARG 42 HH21 ARG 42 -9.395 14.028 2.250 99 HH22 ARG 42 HH22 ARG 42 -11.024 13.420 2.497 100 H VAL 43 H VAL 43 -4.805 6.052 2.139 101 HA VAL 43 HA VAL 43 -4.614 6.860 4.948 102 HB VAL 43 HB VAL 43 -4.460 4.692 5.626 103 HG11 VAL 43 HG11 VAL 43 -6.336 4.631 3.233 104 HG12 VAL 43 HG12 VAL 43 -6.518 3.770 4.763 105 HG13 VAL 43 HG13 VAL 43 -6.648 5.527 4.735 106 HG21 VAL 43 HG21 VAL 43 -2.881 3.535 4.256 107 HG22 VAL 43 HG22 VAL 43 -4.362 2.646 4.175 108 HG23 VAL 43 HG23 VAL 43 -3.920 3.695 2.801 109 H ILE 44 H ILE 44 -2.184 5.395 2.720 110 HA ILE 44 HA ILE 44 -0.174 5.268 4.660 111 HB ILE 44 HB ILE 44 0.105 5.527 1.639 112 HG12 ILE 44 HG12 ILE 44 -0.026 3.068 3.436 113 HG13 ILE 44 HG13 ILE 44 -1.385 3.689 2.526 114 HG21 ILE 44 HG21 ILE 44 2.072 4.553 3.761 115 HG22 ILE 44 HG22 ILE 44 2.314 4.337 2.010 116 HG23 ILE 44 HG23 ILE 44 2.272 5.956 2.702 117 HD11 ILE 44 HD11 ILE 44 1.138 2.545 1.304 118 HD12 ILE 44 HD12 ILE 44 -0.529 1.937 1.203 119 HD13 ILE 44 HD13 ILE 44 -0.099 3.454 0.399 120 H TRP 45 H TRP 45 -0.922 7.938 2.515 121 HA TRP 45 HA TRP 45 1.428 9.518 2.701 122 HB2 TRP 45 HB2 TRP 45 -0.125 10.215 1.120 123 HB3 TRP 45 HB3 TRP 45 -1.495 9.937 2.178 124 HD1 TRP 45 HD1 TRP 45 1.347 12.440 2.914 125 HE1 TRP 45 HE1 TRP 45 0.222 14.623 3.585 126 HE3 TRP 45 HE3 TRP 45 -3.496 11.326 1.705 127 HZ2 TRP 45 HZ2 TRP 45 -2.330 15.928 3.198 128 HZ3 TRP 45 HZ3 TRP 45 -5.259 13.078 1.836 129 HH2 TRP 45 HH2 TRP 45 -4.687 15.370 2.601 130 H SER 46 H SER 46 -1.046 8.999 5.103 131 HA SER 46 HA SER 46 -0.410 11.484 6.625 132 HB2 SER 46 HB2 SER 46 -2.712 10.554 6.323 133 HB3 SER 46 HB3 SER 46 -2.243 9.177 7.388 134 HG SER 46 HG SER 46 -3.274 11.016 8.470 135 H LEU 47 H LEU 47 -0.012 8.002 6.929 136 HA LEU 47 HA LEU 47 0.722 7.834 9.636 137 HB2 LEU 47 HB2 LEU 47 -0.572 6.433 7.973 138 HB3 LEU 47 HB3 LEU 47 0.940 5.977 7.215 139 HG LEU 47 HG LEU 47 0.357 5.406 10.160 140 HD11 LEU 47 HD11 LEU 47 -0.354 3.857 7.629 141 HD12 LEU 47 HD12 LEU 47 -0.540 3.229 9.289 142 HD13 LEU 47 HD13 LEU 47 -1.486 4.637 8.731 143 HD21 LEU 47 HD21 LEU 47 2.691 5.048 9.472 144 HD22 LEU 47 HD22 LEU 47 1.902 3.471 9.636 145 HD23 LEU 47 HD23 LEU 47 2.160 4.177 8.024 146 H GLY 48 H GLY 48 2.575 7.845 6.634 147 HA2 GLY 48 HA2 GLY 48 4.796 8.869 6.609 148 HA3 GLY 48 HA3 GLY 48 5.186 8.035 8.120 149 H GLU 49 H GLU 49 5.142 5.611 8.007 150 HA GLU 49 HA GLU 49 5.921 4.534 5.320 151 HB2 GLU 49 HB2 GLU 49 7.394 4.070 7.955 152 HB3 GLU 49 HB3 GLU 49 7.639 3.198 6.485 153 HG2 GLU 49 HG2 GLU 49 9.323 4.588 6.171 154 HG3 GLU 49 HG3 GLU 49 8.083 5.592 5.439 155 H ALA 50 H ALA 50 4.577 2.874 4.814 156 HA ALA 50 HA ALA 50 3.334 1.356 7.091 157 HB1 ALA 50 HB1 ALA 50 2.214 2.035 4.364 158 HB2 ALA 50 HB2 ALA 50 1.416 1.035 5.604 159 HB3 ALA 50 HB3 ALA 50 1.730 2.758 5.918 160 H ARG 51 H ARG 51 3.525 -0.804 7.135 161 HA ARG 51 HA ARG 51 5.311 -2.050 5.145 162 HB2 ARG 51 HB2 ARG 51 4.375 -2.879 7.906 163 HB3 ARG 51 HB3 ARG 51 5.245 -4.006 6.825 164 HG2 ARG 51 HG2 ARG 51 7.102 -2.522 6.611 165 HG3 ARG 51 HG3 ARG 51 6.230 -1.197 7.407 166 HD2 ARG 51 HD2 ARG 51 6.236 -2.746 9.440 167 HD3 ARG 51 HD3 ARG 51 7.589 -3.561 8.660 168 HE ARG 51 HE ARG 51 8.901 -1.630 9.105 169 HH11 ARG 51 HH11 ARG 51 5.532 -0.860 9.947 170 HH12 ARG 51 HH12 ARG 51 5.985 0.622 10.700 171 HH21 ARG 51 HH21 ARG 51 9.361 0.294 10.209 172 HH22 ARG 51 HH22 ARG 51 8.051 1.314 10.691 173 H VAL 52 H VAL 52 4.679 -4.379 4.398 174 HA VAL 52 HA VAL 52 2.462 -4.012 2.788 175 HB VAL 52 HB VAL 52 3.374 -5.571 1.682 176 HG11 VAL 52 HG11 VAL 52 4.819 -6.502 4.196 177 HG12 VAL 52 HG12 VAL 52 5.239 -6.968 2.516 178 HG13 VAL 52 HG13 VAL 52 5.363 -5.266 3.013 179 HG21 VAL 52 HG21 VAL 52 1.600 -6.961 2.241 180 HG22 VAL 52 HG22 VAL 52 3.068 -7.945 2.160 181 HG23 VAL 52 HG23 VAL 52 2.381 -7.526 3.767 182 H ASP 53 H ASP 53 2.559 -5.613 5.836 183 HA ASP 53 HA ASP 53 -0.153 -6.705 5.714 184 HB2 ASP 53 HB2 ASP 53 0.471 -7.524 7.845 185 HB3 ASP 53 HB3 ASP 53 1.876 -7.688 6.842 186 H GLU 54 H GLU 54 1.296 -3.675 6.435 187 HA GLU 54 HA GLU 54 -0.749 -2.621 8.267 188 HB2 GLU 54 HB2 GLU 54 1.982 -2.095 7.471 189 HB3 GLU 54 HB3 GLU 54 1.049 -0.686 7.066 190 HG2 GLU 54 HG2 GLU 54 1.357 -2.135 9.758 191 HG3 GLU 54 HG3 GLU 54 2.162 -0.636 9.294 192 H ILE 55 H ILE 55 0.478 -1.937 4.967 193 HA ILE 55 HA ILE 55 -1.525 -0.032 4.205 194 HB ILE 55 HB ILE 55 -0.942 -0.651 1.849 195 HG12 ILE 55 HG12 ILE 55 0.569 -2.845 3.317 196 HG13 ILE 55 HG13 ILE 55 -0.646 -3.052 2.033 197 HG21 ILE 55 HG21 ILE 55 1.508 -0.501 3.654 198 HG22 ILE 55 HG22 ILE 55 1.353 0.081 1.972 199 HG23 ILE 55 HG23 ILE 55 0.443 0.861 3.297 200 HD11 ILE 55 HD11 ILE 55 2.190 -2.139 1.846 201 HD12 ILE 55 HD12 ILE 55 1.396 -3.565 1.100 202 HD13 ILE 55 HD13 ILE 55 0.987 -1.888 0.544 203 H TYR 56 H TYR 56 -1.524 -3.599 3.870 204 HA TYR 56 HA TYR 56 -4.107 -3.870 2.726 205 HB2 TYR 56 HB2 TYR 56 -2.361 -5.508 2.691 206 HB3 TYR 56 HB3 TYR 56 -2.215 -5.532 4.435 207 HD1 TYR 56 HD1 TYR 56 -5.182 -5.884 2.145 208 HD2 TYR 56 HD2 TYR 56 -2.673 -7.595 5.128 209 HE1 TYR 56 HE1 TYR 56 -6.817 -7.760 2.384 210 HE2 TYR 56 HE2 TYR 56 -4.357 -9.466 5.503 211 HH TYR 56 HH TYR 56 -7.396 -9.574 3.602 212 H ALA 57 H ALA 57 -2.994 -3.710 6.099 213 HA ALA 57 HA ALA 57 -5.465 -4.493 7.304 214 HB1 ALA 57 HB1 ALA 57 -3.432 -2.567 8.449 215 HB2 ALA 57 HB2 ALA 57 -4.647 -3.487 9.341 216 HB3 ALA 57 HB3 ALA 57 -3.313 -4.348 8.527 217 H GLN 58 H GLN 58 -4.701 -1.441 5.710 218 HA GLN 58 HA GLN 58 -6.820 -0.003 7.144 219 HB2 GLN 58 HB2 GLN 58 -4.649 0.605 5.173 220 HB3 GLN 58 HB3 GLN 58 -6.071 1.591 5.063 221 HG2 GLN 58 HG2 GLN 58 -5.244 2.910 6.607 222 HG3 GLN 58 HG3 GLN 58 -5.646 1.668 7.786 223 HE21 GLN 58 HE22 GLN 58 -3.888 -0.057 8.009 224 HE22 GLN 58 HE21 GLN 58 -2.270 0.555 8.164 225 H ILE 59 H ILE 59 -6.965 -2.210 4.714 226 HA ILE 59 HA ILE 59 -9.007 -0.979 3.021 227 HB ILE 59 HB ILE 59 -7.424 -3.562 2.842 228 HG12 ILE 59 HG12 ILE 59 -7.070 -0.754 1.625 229 HG13 ILE 59 HG13 ILE 59 -6.031 -1.526 2.797 230 HG21 ILE 59 HG21 ILE 59 -8.916 -2.169 0.575 231 HG22 ILE 59 HG22 ILE 59 -8.120 -3.760 0.591 232 HG23 ILE 59 HG23 ILE 59 -9.587 -3.549 1.494 233 HD11 ILE 59 HD11 ILE 59 -6.366 -2.296 -0.079 234 HD12 ILE 59 HD12 ILE 59 -4.925 -1.673 0.756 235 HD13 ILE 59 HD13 ILE 59 -5.533 -3.308 1.140 236 HA PRO 60 HA PRO 60 -11.962 -3.374 5.608 237 HB2 PRO 60 HB2 PRO 60 -14.165 -1.781 5.391 238 HB3 PRO 60 HB3 PRO 60 -12.731 -1.309 6.352 239 HG2 PRO 60 HG2 PRO 60 -13.373 -0.536 3.475 240 HG3 PRO 60 HG3 PRO 60 -12.971 0.551 4.843 241 HD2 PRO 60 HD2 PRO 60 -11.058 -0.262 3.109 242 HD3 PRO 60 HD3 PRO 60 -10.721 -0.134 4.863 243 H GLN 61 H GLN 61 -14.023 -4.483 5.382 244 HA GLN 61 HA GLN 61 -14.330 -5.897 2.958 245 HB2 GLN 61 HB2 GLN 61 -15.918 -5.696 5.515 246 HB3 GLN 61 HB3 GLN 61 -16.700 -6.411 4.127 247 HG2 GLN 61 HG2 GLN 61 -14.195 -7.700 4.167 248 HG3 GLN 61 HG3 GLN 61 -14.648 -7.565 5.868 249 HE21 GLN 61 HE22 GLN 61 -15.350 -9.167 2.807 250 HE22 GLN 61 HE21 GLN 61 -16.643 -10.171 3.479 251 H GLU 62 H GLU 62 -15.816 -2.823 3.674 252 HA GLU 62 HA GLU 62 -18.086 -2.849 1.993 253 HB2 GLU 62 HB2 GLU 62 -17.515 -1.120 3.645 254 HB3 GLU 62 HB3 GLU 62 -16.124 -0.620 2.672 255 HG2 GLU 62 HG2 GLU 62 -17.524 0.313 0.963 256 HG3 GLU 62 HG3 GLU 62 -18.945 -0.517 1.600 257 H LEU 63 H LEU 63 -14.761 -2.853 1.176 258 HA LEU 63 HA LEU 63 -15.050 -1.960 -1.617 259 HB2 LEU 63 HB2 LEU 63 -12.686 -3.186 -0.142 260 HB3 LEU 63 HB3 LEU 63 -12.629 -2.295 -1.652 261 HG LEU 63 HG LEU 63 -13.380 -1.160 1.090 262 HD11 LEU 63 HD11 LEU 63 -10.933 -0.931 -0.681 263 HD12 LEU 63 HD12 LEU 63 -11.232 0.025 0.800 264 HD13 LEU 63 HD13 LEU 63 -11.100 -1.746 0.900 265 HD21 LEU 63 HD21 LEU 63 -14.647 -0.048 -0.611 266 HD22 LEU 63 HD22 LEU 63 -13.327 1.017 -0.113 267 HD23 LEU 63 HD23 LEU 63 -13.217 0.107 -1.659 268 H GLU 64 H GLU 64 -14.841 -4.954 0.034 269 HA GLU 64 HA GLU 64 -14.981 -7.173 -0.556 270 HB2 GLU 64 HB2 GLU 64 -15.421 -6.402 -3.422 271 HB3 GLU 64 HB3 GLU 64 -15.811 -7.897 -2.652 272 HG2 GLU 64 HG2 GLU 64 -17.543 -6.796 -1.289 273 HG3 GLU 64 HG3 GLU 64 -17.194 -5.231 -2.132 274 H TRP 65 H TRP 65 -12.440 -5.384 -1.219 275 HA TRP 65 HA TRP 65 -10.921 -6.872 -3.155 276 HB2 TRP 65 HB2 TRP 65 -10.105 -4.863 -1.027 277 HB3 TRP 65 HB3 TRP 65 -9.006 -5.530 -2.227 278 HD1 TRP 65 HD1 TRP 65 -12.249 -4.778 -3.876 279 HE1 TRP 65 HE1 TRP 65 -12.055 -2.673 -5.307 280 HE3 TRP 65 HE3 TRP 65 -7.852 -2.924 -2.000 281 HZ2 TRP 65 HZ2 TRP 65 -10.173 -0.549 -5.701 282 HZ3 TRP 65 HZ3 TRP 65 -6.863 -0.868 -2.968 283 HH2 TRP 65 HH2 TRP 65 -7.979 0.291 -4.876 284 H SER 66 H SER 66 -8.711 -7.784 -2.654 285 HA SER 66 HA SER 66 -8.630 -9.382 -0.123 286 HB2 SER 66 HB2 SER 66 -9.423 -10.743 -2.063 287 HB3 SER 66 HB3 SER 66 -7.904 -10.390 -2.887 288 HG SER 66 HG SER 66 -8.487 -12.185 -0.962 289 H LEU 67 H LEU 67 -6.228 -10.224 0.271 290 HA LEU 67 HA LEU 67 -4.454 -8.158 0.362 291 HB2 LEU 67 HB2 LEU 67 -4.590 -10.656 1.350 292 HB3 LEU 67 HB3 LEU 67 -3.411 -10.930 0.113 293 HG LEU 67 HG LEU 67 -3.422 -9.424 2.769 294 HD11 LEU 67 HD11 LEU 67 -1.248 -10.928 1.175 295 HD12 LEU 67 HD12 LEU 67 -1.210 -10.404 2.876 296 HD13 LEU 67 HD13 LEU 67 -2.379 -11.590 2.377 297 HD21 LEU 67 HD21 LEU 67 -2.861 -7.539 1.432 298 HD22 LEU 67 HD22 LEU 67 -1.390 -8.080 2.132 299 HD23 LEU 67 HD23 LEU 67 -1.739 -8.395 0.388 300 H ALA 68 H ALA 68 -4.633 -10.808 -2.037 301 HA ALA 68 HA ALA 68 -2.428 -10.137 -3.626 302 HB1 ALA 68 HB1 ALA 68 -5.181 -11.192 -4.507 303 HB2 ALA 68 HB2 ALA 68 -3.674 -11.308 -5.438 304 HB3 ALA 68 HB3 ALA 68 -3.824 -12.163 -3.898 305 H THR 69 H THR 69 -5.707 -8.554 -3.715 306 HA THR 69 HA THR 69 -5.311 -6.991 -6.010 307 HB THR 69 HB THR 69 -6.939 -6.163 -3.590 308 HG1 THR 69 HG1 THR 69 -8.569 -7.129 -5.224 309 HG21 THR 69 HG21 THR 69 -6.948 -5.491 -6.558 310 HG22 THR 69 HG22 THR 69 -8.244 -5.008 -5.425 311 HG23 THR 69 HG23 THR 69 -6.606 -4.390 -5.231 312 H VAL 70 H VAL 70 -4.787 -5.993 -2.515 313 HA VAL 70 HA VAL 70 -3.841 -3.394 -3.339 314 HB VAL 70 HB VAL 70 -4.499 -3.956 -1.018 315 HG11 VAL 70 HG11 VAL 70 -1.862 -5.251 -0.626 316 HG12 VAL 70 HG12 VAL 70 -2.972 -4.797 0.660 317 HG13 VAL 70 HG13 VAL 70 -3.439 -6.072 -0.518 318 HG21 VAL 70 HG21 VAL 70 -3.198 -1.960 -1.589 319 HG22 VAL 70 HG22 VAL 70 -2.830 -2.549 0.091 320 HG23 VAL 70 HG23 VAL 70 -1.735 -2.906 -1.255 321 H LYS 71 H LYS 71 -1.977 -6.452 -2.710 322 HA LYS 71 HA LYS 71 0.622 -5.484 -3.113 323 HB2 LYS 71 HB2 LYS 71 -0.510 -8.143 -4.112 324 HB3 LYS 71 HB3 LYS 71 1.159 -7.767 -3.725 325 HG2 LYS 71 HG2 LYS 71 -0.389 -7.157 -1.371 326 HG3 LYS 71 HG3 LYS 71 -0.914 -8.737 -2.006 327 HD2 LYS 71 HD2 LYS 71 1.225 -9.567 -2.100 328 HD3 LYS 71 HD3 LYS 71 1.938 -7.959 -1.653 329 HE2 LYS 71 HE2 LYS 71 0.842 -8.049 0.571 330 HE3 LYS 71 HE3 LYS 71 0.002 -9.496 0.168 331 HZ1 LYS 71 HZ1 LYS 71 2.920 -9.674 0.070 332 HZ2 LYS 71 HZ2 LYS 71 2.180 -9.817 1.507 333 HZ3 LYS 71 HZ3 LYS 71 1.794 -10.832 0.279 334 H THR 72 H THR 72 -1.564 -6.662 -5.636 335 HA THR 72 HA THR 72 0.224 -5.917 -7.830 336 HB THR 72 HB THR 72 -1.466 -7.633 -8.137 337 HG1 THR 72 HG1 THR 72 -1.992 -7.024 -10.174 338 HG21 THR 72 HG21 THR 72 -3.449 -5.313 -8.131 339 HG22 THR 72 HG22 THR 72 -3.789 -6.951 -8.760 340 HG23 THR 72 HG23 THR 72 -3.396 -6.740 -7.065 341 H LEU 73 H LEU 73 -2.206 -3.957 -6.145 342 HA LEU 73 HA LEU 73 -2.269 -1.812 -8.045 343 HB2 LEU 73 HB2 LEU 73 -3.931 -2.658 -6.285 344 HB3 LEU 73 HB3 LEU 73 -2.904 -1.903 -5.066 345 HG LEU 73 HG LEU 73 -4.437 -0.552 -7.302 346 HD11 LEU 73 HD11 LEU 73 -4.667 -0.487 -4.272 347 HD12 LEU 73 HD12 LEU 73 -5.728 0.354 -5.425 348 HD13 LEU 73 HD13 LEU 73 -5.715 -1.429 -5.355 349 HD21 LEU 73 HD21 LEU 73 -2.511 0.773 -7.073 350 HD22 LEU 73 HD22 LEU 73 -3.679 1.552 -5.983 351 HD23 LEU 73 HD23 LEU 73 -2.401 0.468 -5.336 352 H LEU 74 H LEU 74 -0.457 -2.431 -4.994 353 HA LEU 74 HA LEU 74 1.042 -0.033 -4.810 354 HB2 LEU 74 HB2 LEU 74 2.015 -2.905 -4.370 355 HB3 LEU 74 HB3 LEU 74 2.879 -1.455 -3.845 356 HG LEU 74 HG LEU 74 0.177 -2.347 -2.877 357 HD11 LEU 74 HD11 LEU 74 2.505 -2.051 -1.086 358 HD12 LEU 74 HD12 LEU 74 1.215 -3.309 -1.143 359 HD13 LEU 74 HD13 LEU 74 2.594 -3.402 -2.255 360 HD21 LEU 74 HD21 LEU 74 0.166 -0.008 -2.936 361 HD22 LEU 74 HD22 LEU 74 0.474 -0.458 -1.237 362 HD23 LEU 74 HD23 LEU 74 1.815 0.087 -2.298 363 H GLY 75 H GLY 75 1.833 -2.903 -6.520 364 HA2 GLY 75 HA2 GLY 75 4.271 -2.208 -7.773 365 HA3 GLY 75 HA3 GLY 75 3.080 -3.290 -8.494 366 H ARG 76 H ARG 76 1.127 -0.934 -8.482 367 HA ARG 76 HA ARG 76 1.935 0.205 -11.141 368 HB2 ARG 76 HB2 ARG 76 -0.669 0.248 -9.596 369 HB3 ARG 76 HB3 ARG 76 -0.416 1.142 -11.104 370 HG2 ARG 76 HG2 ARG 76 -0.373 -0.712 -12.426 371 HG3 ARG 76 HG3 ARG 76 0.266 -1.787 -11.203 372 HD2 ARG 76 HD2 ARG 76 -1.849 -2.044 -10.118 373 HD3 ARG 76 HD3 ARG 76 -2.561 -0.716 -11.054 374 HE ARG 76 HE ARG 76 -3.197 -2.272 -12.594 375 HH11 ARG 76 HH11 ARG 76 -0.519 -3.815 -10.961 376 HH12 ARG 76 HH12 ARG 76 -0.542 -5.147 -12.062 377 HH21 ARG 76 HH21 ARG 76 -3.238 -3.997 -13.830 378 HH22 ARG 76 HH22 ARG 76 -1.888 -5.104 -13.901 379 H LEU 77 H LEU 77 0.995 1.226 -7.789 380 HA LEU 77 HA LEU 77 1.436 4.028 -8.158 381 HB2 LEU 77 HB2 LEU 77 2.368 2.522 -5.683 382 HB3 LEU 77 HB3 LEU 77 1.777 4.169 -5.805 383 HG LEU 77 HG LEU 77 0.180 1.608 -6.035 384 HD11 LEU 77 HD11 LEU 77 0.173 3.807 -3.987 385 HD12 LEU 77 HD12 LEU 77 -0.746 2.276 -3.951 386 HD13 LEU 77 HD13 LEU 77 1.032 2.244 -3.876 387 HD21 LEU 77 HD21 LEU 77 -0.813 3.026 -7.560 388 HD22 LEU 77 HD22 LEU 77 -1.784 3.226 -6.071 389 HD23 LEU 77 HD23 LEU 77 -0.583 4.475 -6.535 390 H VAL 78 H VAL 78 3.629 1.553 -7.115 391 HA VAL 78 HA VAL 78 5.862 3.362 -6.891 392 HB VAL 78 HB VAL 78 6.979 1.958 -5.747 393 HG11 VAL 78 HG11 VAL 78 4.948 -0.260 -6.013 394 HG12 VAL 78 HG12 VAL 78 5.975 0.138 -4.638 395 HG13 VAL 78 HG13 VAL 78 4.618 1.196 -5.046 396 HG21 VAL 78 HG21 VAL 78 8.006 0.840 -7.679 397 HG22 VAL 78 HG22 VAL 78 7.772 -0.222 -6.301 398 HG23 VAL 78 HG23 VAL 78 6.660 -0.321 -7.713 399 H LYS 79 H LYS 79 4.975 1.403 -9.666 400 HA LYS 79 HA LYS 79 7.245 2.273 -11.242 401 HB2 LYS 79 HB2 LYS 79 4.533 0.971 -11.826 402 HB3 LYS 79 HB3 LYS 79 5.691 1.301 -13.094 403 HG2 LYS 79 HG2 LYS 79 6.129 -0.530 -10.680 404 HG3 LYS 79 HG3 LYS 79 5.872 -1.013 -12.364 405 HD2 LYS 79 HD2 LYS 79 8.216 0.512 -11.181 406 HD3 LYS 79 HD3 LYS 79 8.222 -1.182 -11.727 407 HE2 LYS 79 HE2 LYS 79 7.200 0.036 -13.944 408 HE3 LYS 79 HE3 LYS 79 8.203 1.357 -13.368 409 HZ1 LYS 79 HZ1 LYS 79 9.269 -1.388 -13.760 410 HZ2 LYS 79 HZ2 LYS 79 9.118 -0.359 -15.001 411 HZ3 LYS 79 HZ3 LYS 79 10.126 0.019 -13.734 412 H LYS 80 H LYS 80 4.412 3.756 -10.396 413 HA LYS 80 HA LYS 80 4.468 5.708 -12.683 414 HB2 LYS 80 HB2 LYS 80 2.238 4.912 -10.777 415 HB3 LYS 80 HB3 LYS 80 2.116 6.304 -11.843 416 HG2 LYS 80 HG2 LYS 80 2.361 5.009 -13.831 417 HG3 LYS 80 HG3 LYS 80 2.675 3.524 -12.917 418 HD2 LYS 80 HD2 LYS 80 0.452 3.436 -12.062 419 HD3 LYS 80 HD3 LYS 80 0.068 5.081 -12.587 420 HE2 LYS 80 HE2 LYS 80 0.930 3.036 -14.645 421 HE3 LYS 80 HE3 LYS 80 -0.714 2.944 -13.995 422 HZ1 LYS 80 HZ1 LYS 80 0.359 5.452 -15.161 423 HZ2 LYS 80 HZ2 LYS 80 -0.475 4.352 -16.029 424 HZ3 LYS 80 HZ3 LYS 80 -1.214 5.082 -14.781 425 H GLU 81 H GLU 81 6.257 5.823 -10.315 426 HA GLU 81 HA GLU 81 7.286 7.465 -9.096 427 HB2 GLU 81 HB2 GLU 81 5.826 9.309 -11.029 428 HB3 GLU 81 HB3 GLU 81 7.250 9.716 -10.097 429 HG2 GLU 81 HG2 GLU 81 8.686 8.394 -11.391 430 HG3 GLU 81 HG3 GLU 81 7.386 7.391 -12.029 431 H MET 82 H MET 82 4.336 6.766 -8.135 432 HA MET 82 HA MET 82 3.566 9.265 -6.798 433 HB2 MET 82 HB2 MET 82 2.490 6.418 -6.545 434 HB3 MET 82 HB3 MET 82 1.734 7.876 -5.892 435 HG2 MET 82 HG2 MET 82 2.188 7.329 -8.855 436 HG3 MET 82 HG3 MET 82 0.714 6.928 -7.984 437 HE1 MET 82 HE1 MET 82 -0.155 8.148 -10.218 438 HE2 MET 82 HE2 MET 82 -0.128 9.907 -10.445 439 HE3 MET 82 HE3 MET 82 1.353 8.958 -10.686 440 H LEU 83 H LEU 83 4.658 5.981 -5.950 441 HA LEU 83 HA LEU 83 5.663 6.900 -3.302 442 HB2 LEU 83 HB2 LEU 83 4.283 4.222 -3.808 443 HB3 LEU 83 HB3 LEU 83 4.907 4.833 -2.281 444 HG LEU 83 HG LEU 83 2.336 5.503 -3.693 445 HD11 LEU 83 HD11 LEU 83 3.031 4.994 -0.765 446 HD12 LEU 83 HD12 LEU 83 1.406 5.124 -1.471 447 HD13 LEU 83 HD13 LEU 83 2.445 3.762 -1.909 448 HD21 LEU 83 HD21 LEU 83 2.922 7.659 -3.367 449 HD22 LEU 83 HD22 LEU 83 2.131 7.340 -1.827 450 HD23 LEU 83 HD23 LEU 83 3.918 7.339 -1.915 451 H SER 84 H SER 84 7.119 5.266 -2.322 452 HA SER 84 HA SER 84 8.530 3.489 -4.275 453 HB2 SER 84 HB2 SER 84 10.005 5.024 -2.137 454 HB3 SER 84 HB3 SER 84 10.657 4.008 -3.439 455 HG SER 84 HG SER 84 10.838 6.130 -4.164 456 H THR 85 H THR 85 9.972 1.857 -3.095 457 HA THR 85 HA THR 85 8.921 1.121 -0.423 458 HB THR 85 HB THR 85 7.383 0.217 -1.999 459 HG1 THR 85 HG1 THR 85 7.390 -1.794 -1.348 460 HG21 THR 85 HG21 THR 85 9.664 -1.259 -3.346 461 HG22 THR 85 HG22 THR 85 7.934 -1.282 -3.790 462 HG23 THR 85 HG23 THR 85 8.877 0.205 -4.004 463 H GLU 86 H GLU 86 10.089 -0.287 0.784 464 HA GLU 86 HA GLU 86 12.885 -1.003 -0.061 465 HB2 GLU 86 HB2 GLU 86 11.908 0.754 2.210 466 HB3 GLU 86 HB3 GLU 86 13.308 -0.248 2.486 467 HG2 GLU 86 HG2 GLU 86 13.092 1.706 0.168 468 HG3 GLU 86 HG3 GLU 86 13.806 2.094 1.735 469 H LYS 87 H LYS 87 13.859 -2.641 1.233 470 HA LYS 87 HA LYS 87 11.908 -4.598 2.387 471 HB2 LYS 87 HB2 LYS 87 13.640 -5.118 0.621 472 HB3 LYS 87 HB3 LYS 87 14.863 -5.062 1.859 473 HG2 LYS 87 HG2 LYS 87 12.376 -6.793 2.230 474 HG3 LYS 87 HG3 LYS 87 13.551 -7.254 1.004 475 HD2 LYS 87 HD2 LYS 87 14.109 -8.459 2.914 476 HD3 LYS 87 HD3 LYS 87 15.357 -7.212 2.718 477 HE2 LYS 87 HE2 LYS 87 13.182 -6.243 4.325 478 HE3 LYS 87 HE3 LYS 87 13.704 -7.813 4.979 479 HZ1 LYS 87 HZ1 LYS 87 15.446 -5.454 4.540 480 HZ2 LYS 87 HZ2 LYS 87 15.019 -6.031 5.994 481 HZ3 LYS 87 HZ3 LYS 87 16.009 -6.927 5.020 482 H GLU 88 H GLU 88 11.426 -4.173 4.468 483 HA GLU 88 HA GLU 88 13.557 -4.080 6.474 484 HB2 GLU 88 HB2 GLU 88 11.972 -1.719 5.695 485 HB3 GLU 88 HB3 GLU 88 11.829 -2.078 7.411 486 HG2 GLU 88 HG2 GLU 88 14.484 -1.829 5.935 487 HG3 GLU 88 HG3 GLU 88 13.659 -0.533 6.776 488 H GLY 89 H GLY 89 12.816 -4.396 8.667 489 HA2 GLY 89 HA2 GLY 89 11.707 -5.753 10.197 490 HA3 GLY 89 HA3 GLY 89 10.225 -5.118 9.474 491 H ARG 90 H ARG 90 12.645 -7.238 7.972 492 HA ARG 90 HA ARG 90 12.455 -9.099 6.631 493 HB2 ARG 90 HB2 ARG 90 10.528 -10.200 8.691 494 HB3 ARG 90 HB3 ARG 90 11.636 -11.086 7.637 495 HG2 ARG 90 HG2 ARG 90 12.348 -9.369 10.048 496 HG3 ARG 90 HG3 ARG 90 12.491 -11.112 9.896 497 HD2 ARG 90 HD2 ARG 90 14.306 -10.892 8.278 498 HD3 ARG 90 HD3 ARG 90 14.077 -9.133 8.221 499 HE ARG 90 HE ARG 90 14.754 -10.360 10.837 500 HH11 ARG 90 HH11 ARG 90 16.175 -8.597 8.127 501 HH12 ARG 90 HH12 ARG 90 17.304 -7.789 9.217 502 HH21 ARG 90 HH21 ARG 90 16.303 -9.518 11.986 503 HH22 ARG 90 HH22 ARG 90 17.378 -8.301 11.347 504 H LYS 91 H LYS 91 10.321 -6.974 6.448 505 HA LYS 91 HA LYS 91 8.390 -8.208 4.551 506 HB2 LYS 91 HB2 LYS 91 8.108 -6.283 6.886 507 HB3 LYS 91 HB3 LYS 91 6.947 -6.233 5.568 508 HG2 LYS 91 HG2 LYS 91 6.163 -8.429 5.958 509 HG3 LYS 91 HG3 LYS 91 7.475 -8.807 7.113 510 HD2 LYS 91 HD2 LYS 91 6.669 -7.114 8.666 511 HD3 LYS 91 HD3 LYS 91 5.530 -6.521 7.461 512 HE2 LYS 91 HE2 LYS 91 4.109 -7.659 8.829 513 HE3 LYS 91 HE3 LYS 91 4.412 -8.870 7.586 514 HZ1 LYS 91 HZ1 LYS 91 5.743 -8.749 10.254 515 HZ2 LYS 91 HZ2 LYS 91 4.501 -9.744 9.848 516 HZ3 LYS 91 HZ3 LYS 91 5.937 -9.978 9.137 517 H PHE 92 H PHE 92 7.277 -6.087 3.521 518 HA PHE 92 HA PHE 92 9.457 -4.316 2.450 519 HB2 PHE 92 HB2 PHE 92 6.762 -5.074 1.355 520 HB3 PHE 92 HB3 PHE 92 7.533 -3.536 0.936 521 HD1 PHE 92 HD1 PHE 92 9.683 -3.451 -0.200 522 HD2 PHE 92 HD2 PHE 92 7.642 -7.162 0.539 523 HE1 PHE 92 HE1 PHE 92 11.189 -4.567 -1.800 524 HE2 PHE 92 HE2 PHE 92 9.137 -8.306 -1.115 525 HZ PHE 92 HZ PHE 92 10.932 -7.010 -2.271 526 H VAL 93 H VAL 93 9.268 -2.155 2.770 527 HA VAL 93 HA VAL 93 7.067 -0.982 4.435 528 HB VAL 93 HB VAL 93 10.033 -0.290 4.269 529 HG11 VAL 93 HG11 VAL 93 7.697 1.443 5.157 530 HG12 VAL 93 HG12 VAL 93 9.390 1.799 5.579 531 HG13 VAL 93 HG13 VAL 93 8.876 1.828 3.889 532 HG21 VAL 93 HG21 VAL 93 9.208 -1.859 6.102 533 HG22 VAL 93 HG22 VAL 93 9.924 -0.350 6.703 534 HG23 VAL 93 HG23 VAL 93 8.170 -0.544 6.676 535 H TYR 94 H TYR 94 5.794 0.203 3.203 536 HA TYR 94 HA TYR 94 6.704 1.165 0.538 537 HB2 TYR 94 HB2 TYR 94 3.958 0.503 1.684 538 HB3 TYR 94 HB3 TYR 94 4.232 1.277 0.120 539 HD1 TYR 94 HD1 TYR 94 4.605 -1.957 2.018 540 HD2 TYR 94 HD2 TYR 94 5.112 0.068 -1.772 541 HE1 TYR 94 HE1 TYR 94 4.816 -4.120 0.887 542 HE2 TYR 94 HE2 TYR 94 5.455 -2.144 -2.880 543 HH TYR 94 HH TYR 94 5.296 -5.221 -1.120 544 H ARG 95 H ARG 95 7.160 3.260 0.463 545 HA ARG 95 HA ARG 95 5.659 5.149 2.222 546 HB2 ARG 95 HB2 ARG 95 7.547 6.090 3.250 547 HB3 ARG 95 HB3 ARG 95 7.647 4.352 3.480 548 HG2 ARG 95 HG2 ARG 95 9.423 4.225 1.726 549 HG3 ARG 95 HG3 ARG 95 9.291 5.982 1.478 550 HD2 ARG 95 HD2 ARG 95 9.707 6.252 3.990 551 HD3 ARG 95 HD3 ARG 95 10.087 4.540 4.028 552 HE ARG 95 HE ARG 95 12.149 4.950 3.036 553 HH11 ARG 95 HH11 ARG 95 10.380 8.032 2.805 554 HH12 ARG 95 HH12 ARG 95 11.863 8.902 3.180 555 HH21 ARG 95 HH21 ARG 95 13.959 6.310 3.461 556 HH22 ARG 95 HH22 ARG 95 13.662 8.025 3.405 557 HA PRO 96 HA PRO 96 6.330 8.040 -1.159 558 HB2 PRO 96 HB2 PRO 96 5.883 10.424 0.056 559 HB3 PRO 96 HB3 PRO 96 4.547 9.261 -0.244 560 HG2 PRO 96 HG2 PRO 96 6.126 9.673 2.321 561 HG3 PRO 96 HG3 PRO 96 4.347 9.575 2.124 562 HD2 PRO 96 HD2 PRO 96 5.891 7.440 2.856 563 HD3 PRO 96 HD3 PRO 96 4.417 7.238 1.872 564 H LEU 97 H LEU 97 7.885 9.761 -1.703 565 HA LEU 97 HA LEU 97 10.287 9.935 -0.030 566 HB2 LEU 97 HB2 LEU 97 9.865 8.591 -2.623 567 HB3 LEU 97 HB3 LEU 97 10.907 9.963 -2.851 568 HG LEU 97 HG LEU 97 12.213 7.990 -2.530 569 HD11 LEU 97 HD11 LEU 97 12.409 9.764 -0.071 570 HD12 LEU 97 HD12 LEU 97 13.712 8.805 -0.812 571 HD13 LEU 97 HD13 LEU 97 13.012 10.192 -1.679 572 HD21 LEU 97 HD21 LEU 97 10.554 6.786 -1.106 573 HD22 LEU 97 HD22 LEU 97 12.236 6.688 -0.511 574 HD23 LEU 97 HD23 LEU 97 11.045 7.780 0.257 575 H MET 98 H MET 98 11.360 11.880 -0.196 576 HA MET 98 HA MET 98 10.425 14.045 -1.922 577 HB2 MET 98 HB2 MET 98 10.301 14.255 1.133 578 HB3 MET 98 HB3 MET 98 10.231 15.615 0.015 579 HG2 MET 98 HG2 MET 98 8.026 15.364 0.389 580 HG3 MET 98 HG3 MET 98 8.186 14.341 -1.029 581 HE1 MET 98 HE1 MET 98 5.882 13.184 -0.623 582 HE2 MET 98 HE2 MET 98 5.327 12.629 0.975 583 HE3 MET 98 HE3 MET 98 5.664 14.355 0.698 584 H GLU 99 H GLU 99 11.928 15.881 -1.766 585 HA GLU 99 HA GLU 99 14.726 15.152 -1.243 586 HB2 GLU 99 HB2 GLU 99 13.743 16.588 -3.195 587 HB3 GLU 99 HB3 GLU 99 13.626 17.884 -2.017 588 HG2 GLU 99 HG2 GLU 99 16.300 16.625 -1.984 589 HG3 GLU 99 HG3 GLU 99 15.850 17.077 -3.604 Start of MODEL 2 1 H PHE 31 H1 PHE 31 -19.216 16.248 -13.931 2 HA PHE 31 HA PHE 31 -18.350 15.133 -11.358 3 HB2 PHE 31 HB2 PHE 31 -20.681 14.478 -11.725 4 HB3 PHE 31 HB3 PHE 31 -20.310 13.961 -13.370 5 HD1 PHE 31 HD1 PHE 31 -19.460 13.273 -9.754 6 HD2 PHE 31 HD2 PHE 31 -19.597 11.724 -13.794 7 HE1 PHE 31 HE1 PHE 31 -18.807 11.030 -8.929 8 HE2 PHE 31 HE2 PHE 31 -18.947 9.488 -12.946 9 HZ PHE 31 HZ PHE 31 -18.554 9.140 -10.516 10 H ASN 32 H ASN 32 -16.790 13.377 -11.627 11 HA ASN 32 HA ASN 32 -16.149 12.185 -14.056 12 HB2 ASN 32 HB2 ASN 32 -14.826 14.733 -13.844 13 HB3 ASN 32 HB3 ASN 32 -13.609 13.520 -13.514 14 HD21 ASN 32 HD22 ASN 32 -16.211 14.351 -15.837 15 HD22 ASN 32 HD21 ASN 32 -15.367 13.609 -17.212 16 H VAL 33 H VAL 33 -14.059 10.845 -13.847 17 HA VAL 33 HA VAL 33 -12.990 10.178 -11.242 18 HB VAL 33 HB VAL 33 -13.677 7.718 -11.493 19 HG11 VAL 33 HG11 VAL 33 -15.985 9.494 -10.680 20 HG12 VAL 33 HG12 VAL 33 -15.592 7.864 -10.112 21 HG13 VAL 33 HG13 VAL 33 -14.537 9.221 -9.687 22 HG21 VAL 33 HG21 VAL 33 -14.747 7.837 -13.739 23 HG22 VAL 33 HG22 VAL 33 -15.833 7.190 -12.500 24 HG23 VAL 33 HG23 VAL 33 -16.034 8.858 -13.057 25 H SER 34 H SER 34 -11.114 8.705 -11.489 26 HA SER 34 HA SER 34 -10.672 7.356 -14.004 27 HB2 SER 34 HB2 SER 34 -8.743 8.453 -14.802 28 HB3 SER 34 HB3 SER 34 -9.901 9.743 -14.484 29 HG SER 34 HG SER 34 -8.096 10.475 -13.550 30 H ASN 35 H ASN 35 -8.391 6.348 -13.995 31 HA ASN 35 HA ASN 35 -7.015 4.773 -13.236 32 HB2 ASN 35 HB2 ASN 35 -6.169 6.950 -12.105 33 HB3 ASN 35 HB3 ASN 35 -6.745 6.232 -10.610 34 HD21 ASN 35 HD22 ASN 35 -4.153 6.614 -10.386 35 HD22 ASN 35 HD21 ASN 35 -3.251 5.155 -10.807 36 H ALA 36 H ALA 36 -6.409 3.448 -10.901 37 HA ALA 36 HA ALA 36 -8.564 1.590 -10.496 38 HB1 ALA 36 HB1 ALA 36 -5.992 2.060 -8.879 39 HB2 ALA 36 HB2 ALA 36 -7.094 0.701 -8.670 40 HB3 ALA 36 HB3 ALA 36 -6.222 0.899 -10.208 41 H GLU 37 H GLU 37 -7.183 4.056 -8.264 42 HA GLU 37 HA GLU 37 -9.606 4.887 -7.062 43 HB2 GLU 37 HB2 GLU 37 -9.216 3.809 -4.787 44 HB3 GLU 37 HB3 GLU 37 -9.915 2.824 -6.030 45 HG2 GLU 37 HG2 GLU 37 -8.377 1.535 -4.765 46 HG3 GLU 37 HG3 GLU 37 -7.771 1.655 -6.411 47 H LEU 38 H LEU 38 -8.960 5.842 -4.734 48 HA LEU 38 HA LEU 38 -6.232 7.031 -4.732 49 HB2 LEU 38 HB2 LEU 38 -8.871 8.508 -4.281 50 HB3 LEU 38 HB3 LEU 38 -7.324 9.128 -3.754 51 HG LEU 38 HG LEU 38 -7.845 10.329 -5.614 52 HD11 LEU 38 HD11 LEU 38 -5.866 8.272 -6.641 53 HD12 LEU 38 HD12 LEU 38 -6.033 9.957 -7.155 54 HD13 LEU 38 HD13 LEU 38 -5.484 9.589 -5.512 55 HD21 LEU 38 HD21 LEU 38 -9.543 8.799 -6.631 56 HD22 LEU 38 HD22 LEU 38 -8.454 9.602 -7.779 57 HD23 LEU 38 HD23 LEU 38 -8.207 7.904 -7.384 58 H ILE 39 H ILE 39 -7.787 4.827 -3.187 59 HA ILE 39 HA ILE 39 -8.105 5.762 -0.407 60 HB ILE 39 HB ILE 39 -8.089 2.967 -1.609 61 HG12 ILE 39 HG12 ILE 39 -10.342 4.855 -0.770 62 HG13 ILE 39 HG13 ILE 39 -9.969 4.326 -2.409 63 HG21 ILE 39 HG21 ILE 39 -8.864 3.899 1.201 64 HG22 ILE 39 HG22 ILE 39 -8.983 2.237 0.575 65 HG23 ILE 39 HG23 ILE 39 -7.409 2.965 0.797 66 HD11 ILE 39 HD11 ILE 39 -11.106 2.653 -0.167 67 HD12 ILE 39 HD12 ILE 39 -11.854 3.085 -1.712 68 HD13 ILE 39 HD13 ILE 39 -10.479 1.959 -1.689 69 H VAL 40 H VAL 40 -5.794 3.798 -2.331 70 HA VAL 40 HA VAL 40 -3.855 3.408 -0.235 71 HB VAL 40 HB VAL 40 -2.273 2.824 -1.953 72 HG11 VAL 40 HG11 VAL 40 -5.013 1.750 -2.708 73 HG12 VAL 40 HG12 VAL 40 -3.455 0.976 -2.993 74 HG13 VAL 40 HG13 VAL 40 -4.037 1.198 -1.330 75 HG21 VAL 40 HG21 VAL 40 -2.478 4.413 -3.714 76 HG22 VAL 40 HG22 VAL 40 -2.981 2.874 -4.423 77 HG23 VAL 40 HG23 VAL 40 -4.196 4.052 -3.954 78 H MET 41 H MET 41 -4.347 6.023 -2.564 79 HA MET 41 HA MET 41 -1.940 7.437 -2.023 80 HB2 MET 41 HB2 MET 41 -3.793 7.663 -3.944 81 HB3 MET 41 HB3 MET 41 -4.430 8.910 -2.870 82 HG2 MET 41 HG2 MET 41 -2.939 9.983 -4.407 83 HG3 MET 41 HG3 MET 41 -2.096 9.932 -2.858 84 HE1 MET 41 HE1 MET 41 0.286 10.360 -3.805 85 HE2 MET 41 HE2 MET 41 0.943 9.567 -5.253 86 HE3 MET 41 HE3 MET 41 -0.467 10.643 -5.393 87 H ARG 42 H ARG 42 -4.947 7.319 -0.180 88 HA ARG 42 HA ARG 42 -4.099 9.656 1.476 89 HB2 ARG 42 HB2 ARG 42 -6.591 7.899 1.462 90 HB3 ARG 42 HB3 ARG 42 -6.215 9.041 2.758 91 HG2 ARG 42 HG2 ARG 42 -6.071 10.881 0.996 92 HG3 ARG 42 HG3 ARG 42 -6.761 9.717 -0.161 93 HD2 ARG 42 HD2 ARG 42 -8.696 9.371 1.345 94 HD3 ARG 42 HD3 ARG 42 -7.959 10.447 2.543 95 HE ARG 42 HE ARG 42 -8.369 11.847 0.039 96 HH11 ARG 42 HH11 ARG 42 -9.996 10.794 2.976 97 HH12 ARG 42 HH12 ARG 42 -11.407 11.759 2.644 98 HH21 ARG 42 HH21 ARG 42 -9.975 13.318 -0.125 99 HH22 ARG 42 HH22 ARG 42 -11.367 13.256 0.935 100 H VAL 43 H VAL 43 -4.868 6.162 2.199 101 HA VAL 43 HA VAL 43 -4.315 6.590 4.922 102 HB VAL 43 HB VAL 43 -4.450 4.391 5.419 103 HG11 VAL 43 HG11 VAL 43 -6.159 4.637 2.912 104 HG12 VAL 43 HG12 VAL 43 -6.446 3.585 4.299 105 HG13 VAL 43 HG13 VAL 43 -6.539 5.332 4.508 106 HG21 VAL 43 HG21 VAL 43 -2.780 3.333 4.010 107 HG22 VAL 43 HG22 VAL 43 -4.274 2.449 3.883 108 HG23 VAL 43 HG23 VAL 43 -3.798 3.562 2.560 109 H ILE 44 H ILE 44 -2.003 5.533 2.467 110 HA ILE 44 HA ILE 44 0.183 4.987 4.297 111 HB ILE 44 HB ILE 44 0.046 5.624 1.307 112 HG12 ILE 44 HG12 ILE 44 0.507 2.979 2.700 113 HG13 ILE 44 HG13 ILE 44 -1.107 3.518 2.274 114 HG21 ILE 44 HG21 ILE 44 2.401 4.644 2.983 115 HG22 ILE 44 HG22 ILE 44 2.370 4.669 1.200 116 HG23 ILE 44 HG23 ILE 44 2.287 6.177 2.107 117 HD11 ILE 44 HD11 ILE 44 1.169 2.903 0.335 118 HD12 ILE 44 HD12 ILE 44 -0.411 2.097 0.484 119 HD13 ILE 44 HD13 ILE 44 -0.331 3.750 -0.127 120 H TRP 45 H TRP 45 -0.723 7.761 2.288 121 HA TRP 45 HA TRP 45 1.600 9.384 2.741 122 HB2 TRP 45 HB2 TRP 45 0.096 9.836 0.901 123 HB3 TRP 45 HB3 TRP 45 -1.281 9.982 1.990 124 HD1 TRP 45 HD1 TRP 45 -1.521 12.147 3.446 125 HE1 TRP 45 HE1 TRP 45 -0.591 14.502 3.274 126 HE3 TRP 45 HE3 TRP 45 2.068 11.309 -0.101 127 HZ2 TRP 45 HZ2 TRP 45 1.483 15.887 1.777 128 HZ3 TRP 45 HZ3 TRP 45 3.556 13.167 -0.846 129 HH2 TRP 45 HH2 TRP 45 3.289 15.444 0.093 130 H SER 46 H SER 46 -1.242 8.774 4.639 131 HA SER 46 HA SER 46 -0.996 11.198 6.293 132 HB2 SER 46 HB2 SER 46 -3.159 10.124 5.889 133 HB3 SER 46 HB3 SER 46 -2.607 8.650 6.747 134 HG SER 46 HG SER 46 -2.174 10.244 8.548 135 H LEU 47 H LEU 47 -0.078 7.764 6.727 136 HA LEU 47 HA LEU 47 0.368 7.930 9.499 137 HB2 LEU 47 HB2 LEU 47 -0.417 6.165 7.693 138 HB3 LEU 47 HB3 LEU 47 1.279 5.814 7.491 139 HG LEU 47 HG LEU 47 0.020 5.850 10.272 140 HD11 LEU 47 HD11 LEU 47 -0.130 3.621 8.204 141 HD12 LEU 47 HD12 LEU 47 -0.656 3.507 9.907 142 HD13 LEU 47 HD13 LEU 47 -1.482 4.610 8.775 143 HD21 LEU 47 HD21 LEU 47 2.459 5.617 10.018 144 HD22 LEU 47 HD22 LEU 47 1.742 4.095 10.619 145 HD23 LEU 47 HD23 LEU 47 2.219 4.259 8.905 146 H GLY 48 H GLY 48 2.559 7.676 6.699 147 HA2 GLY 48 HA2 GLY 48 4.654 9.033 6.726 148 HA3 GLY 48 HA3 GLY 48 4.929 8.460 8.377 149 H GLU 49 H GLU 49 5.062 6.066 8.663 150 HA GLU 49 HA GLU 49 6.034 4.589 6.236 151 HB2 GLU 49 HB2 GLU 49 7.099 4.412 9.089 152 HB3 GLU 49 HB3 GLU 49 7.389 3.228 7.844 153 HG2 GLU 49 HG2 GLU 49 9.321 4.416 7.803 154 HG3 GLU 49 HG3 GLU 49 8.435 5.041 6.435 155 H ALA 50 H ALA 50 4.598 3.108 5.738 156 HA ALA 50 HA ALA 50 3.246 1.516 7.914 157 HB1 ALA 50 HB1 ALA 50 2.197 2.231 5.139 158 HB2 ALA 50 HB2 ALA 50 1.338 1.296 6.381 159 HB3 ALA 50 HB3 ALA 50 1.696 3.013 6.655 160 H ARG 51 H ARG 51 2.709 -0.822 6.999 161 HA ARG 51 HA ARG 51 4.761 -1.612 4.973 162 HB2 ARG 51 HB2 ARG 51 4.946 -3.856 5.819 163 HB3 ARG 51 HB3 ARG 51 5.627 -2.667 6.867 164 HG2 ARG 51 HG2 ARG 51 2.869 -3.742 7.414 165 HG3 ARG 51 HG3 ARG 51 4.316 -4.681 7.735 166 HD2 ARG 51 HD2 ARG 51 5.226 -2.785 9.084 167 HD3 ARG 51 HD3 ARG 51 3.605 -2.031 9.002 168 HE ARG 51 HE ARG 51 2.941 -4.562 9.749 169 HH11 ARG 51 HH11 ARG 51 5.411 -2.503 11.191 170 HH12 ARG 51 HH12 ARG 51 5.155 -3.202 12.771 171 HH21 ARG 51 HH21 ARG 51 2.643 -5.331 11.894 172 HH22 ARG 51 HH22 ARG 51 3.816 -4.860 13.083 173 H VAL 52 H VAL 52 4.204 -3.649 3.749 174 HA VAL 52 HA VAL 52 1.729 -3.517 2.504 175 HB VAL 52 HB VAL 52 2.975 -4.721 1.262 176 HG11 VAL 52 HG11 VAL 52 4.303 -5.950 3.731 177 HG12 VAL 52 HG12 VAL 52 4.755 -6.374 2.046 178 HG13 VAL 52 HG13 VAL 52 4.962 -4.727 2.627 179 HG21 VAL 52 HG21 VAL 52 1.159 -6.244 1.648 180 HG22 VAL 52 HG22 VAL 52 2.674 -7.093 1.276 181 HG23 VAL 52 HG23 VAL 52 2.076 -7.024 2.972 182 H ASP 53 H ASP 53 2.467 -5.313 5.479 183 HA ASP 53 HA ASP 53 -0.291 -6.352 5.389 184 HB2 ASP 53 HB2 ASP 53 0.061 -7.861 6.920 185 HB3 ASP 53 HB3 ASP 53 1.482 -7.884 5.940 186 H GLU 54 H GLU 54 0.964 -3.466 6.177 187 HA GLU 54 HA GLU 54 -1.059 -2.769 8.225 188 HB2 GLU 54 HB2 GLU 54 1.481 -1.872 7.882 189 HB3 GLU 54 HB3 GLU 54 0.640 -0.739 6.823 190 HG2 GLU 54 HG2 GLU 54 0.201 -1.318 9.782 191 HG3 GLU 54 HG3 GLU 54 0.928 0.147 9.104 192 H ILE 55 H ILE 55 -0.102 -1.772 4.877 193 HA ILE 55 HA ILE 55 -2.272 -0.026 4.447 194 HB ILE 55 HB ILE 55 -1.869 -0.308 2.013 195 HG12 ILE 55 HG12 ILE 55 -0.144 -2.556 3.056 196 HG13 ILE 55 HG13 ILE 55 -1.422 -2.663 1.824 197 HG21 ILE 55 HG21 ILE 55 0.722 -0.171 3.591 198 HG22 ILE 55 HG22 ILE 55 0.397 0.535 1.990 199 HG23 ILE 55 HG23 ILE 55 -0.452 1.159 3.459 200 HD11 ILE 55 HD11 ILE 55 1.338 -1.548 1.620 201 HD12 ILE 55 HD12 ILE 55 0.612 -2.931 0.785 202 HD13 ILE 55 HD13 ILE 55 0.071 -1.256 0.372 203 H TYR 56 H TYR 56 -2.163 -3.563 3.614 204 HA TYR 56 HA TYR 56 -4.814 -3.792 2.684 205 HB2 TYR 56 HB2 TYR 56 -3.014 -5.409 2.457 206 HB3 TYR 56 HB3 TYR 56 -2.933 -5.631 4.189 207 HD1 TYR 56 HD1 TYR 56 -5.563 -5.697 1.513 208 HD2 TYR 56 HD2 TYR 56 -3.873 -7.504 4.997 209 HE1 TYR 56 HE1 TYR 56 -7.454 -7.373 1.510 210 HE2 TYR 56 HE2 TYR 56 -5.777 -9.207 5.048 211 HH TYR 56 HH TYR 56 -8.415 -9.073 2.639 212 H ALA 57 H ALA 57 -3.594 -3.637 5.961 213 HA ALA 57 HA ALA 57 -6.017 -4.560 7.271 214 HB1 ALA 57 HB1 ALA 57 -4.018 -2.658 8.493 215 HB2 ALA 57 HB2 ALA 57 -5.003 -3.883 9.296 216 HB3 ALA 57 HB3 ALA 57 -3.615 -4.379 8.261 217 H GLN 58 H GLN 58 -4.982 -1.466 5.826 218 HA GLN 58 HA GLN 58 -7.096 0.040 7.068 219 HB2 GLN 58 HB2 GLN 58 -4.600 0.408 5.659 220 HB3 GLN 58 HB3 GLN 58 -5.826 1.244 4.812 221 HG2 GLN 58 HG2 GLN 58 -4.591 2.561 6.444 222 HG3 GLN 58 HG3 GLN 58 -6.447 2.588 6.656 223 HE21 GLN 58 HE22 GLN 58 -3.387 0.885 7.838 224 HE22 GLN 58 HE21 GLN 58 -3.980 0.586 9.383 225 H ILE 59 H ILE 59 -7.081 -2.141 4.514 226 HA ILE 59 HA ILE 59 -9.188 -0.904 2.899 227 HB ILE 59 HB ILE 59 -7.408 -3.356 2.632 228 HG12 ILE 59 HG12 ILE 59 -7.516 -0.566 1.238 229 HG13 ILE 59 HG13 ILE 59 -6.329 -1.132 2.415 230 HG21 ILE 59 HG21 ILE 59 -9.127 -2.289 0.351 231 HG22 ILE 59 HG22 ILE 59 -8.249 -3.809 0.526 232 HG23 ILE 59 HG23 ILE 59 -9.701 -3.565 1.456 233 HD11 ILE 59 HD11 ILE 59 -6.651 -2.205 -0.342 234 HD12 ILE 59 HD12 ILE 59 -5.319 -1.249 0.308 235 HD13 ILE 59 HD13 ILE 59 -5.596 -2.917 0.904 236 HA PRO 60 HA PRO 60 -11.658 -3.358 5.869 237 HB2 PRO 60 HB2 PRO 60 -14.002 -1.952 5.825 238 HB3 PRO 60 HB3 PRO 60 -12.515 -1.327 6.627 239 HG2 PRO 60 HG2 PRO 60 -13.521 -0.709 3.817 240 HG3 PRO 60 HG3 PRO 60 -13.028 0.453 5.100 241 HD2 PRO 60 HD2 PRO 60 -11.316 -0.333 3.134 242 HD3 PRO 60 HD3 PRO 60 -10.751 -0.068 4.803 243 H GLN 61 H GLN 61 -13.615 -4.644 5.842 244 HA GLN 61 HA GLN 61 -14.220 -6.190 3.573 245 HB2 GLN 61 HB2 GLN 61 -15.599 -5.560 6.183 246 HB3 GLN 61 HB3 GLN 61 -16.488 -6.464 4.974 247 HG2 GLN 61 HG2 GLN 61 -13.704 -7.377 5.781 248 HG3 GLN 61 HG3 GLN 61 -15.105 -7.741 6.800 249 HE21 GLN 61 HE22 GLN 61 -13.252 -9.191 4.449 250 HE22 GLN 61 HE21 GLN 61 -14.533 -10.239 3.826 251 H GLU 62 H GLU 62 -15.549 -3.056 4.434 252 HA GLU 62 HA GLU 62 -17.844 -2.890 2.855 253 HB2 GLU 62 HB2 GLU 62 -17.041 -1.318 4.609 254 HB3 GLU 62 HB3 GLU 62 -15.785 -0.742 3.510 255 HG2 GLU 62 HG2 GLU 62 -17.434 0.194 2.000 256 HG3 GLU 62 HG3 GLU 62 -18.731 -0.601 2.878 257 H LEU 63 H LEU 63 -14.548 -2.847 1.800 258 HA LEU 63 HA LEU 63 -15.143 -1.972 -0.978 259 HB2 LEU 63 HB2 LEU 63 -12.569 -2.977 0.294 260 HB3 LEU 63 HB3 LEU 63 -12.719 -2.184 -1.279 261 HG LEU 63 HG LEU 63 -13.192 -0.907 1.469 262 HD11 LEU 63 HD11 LEU 63 -10.984 -0.740 -0.621 263 HD12 LEU 63 HD12 LEU 63 -11.142 0.356 0.783 264 HD13 LEU 63 HD13 LEU 63 -10.935 -1.387 1.043 265 HD21 LEU 63 HD21 LEU 63 -14.684 0.047 -0.174 266 HD22 LEU 63 HD22 LEU 63 -13.377 1.194 0.172 267 HD23 LEU 63 HD23 LEU 63 -13.357 0.236 -1.343 268 H GLU 64 H GLU 64 -14.638 -4.784 0.772 269 HA GLU 64 HA GLU 64 -14.803 -7.041 0.395 270 HB2 GLU 64 HB2 GLU 64 -15.722 -6.426 -2.427 271 HB3 GLU 64 HB3 GLU 64 -15.954 -7.912 -1.517 272 HG2 GLU 64 HG2 GLU 64 -17.329 -6.649 0.144 273 HG3 GLU 64 HG3 GLU 64 -17.213 -5.215 -0.878 274 H TRP 65 H TRP 65 -12.230 -5.522 -0.527 275 HA TRP 65 HA TRP 65 -11.199 -7.041 -2.734 276 HB2 TRP 65 HB2 TRP 65 -9.927 -5.103 -0.789 277 HB3 TRP 65 HB3 TRP 65 -9.013 -5.892 -2.070 278 HD1 TRP 65 HD1 TRP 65 -12.433 -4.891 -3.226 279 HE1 TRP 65 HE1 TRP 65 -12.332 -2.787 -4.650 280 HE3 TRP 65 HE3 TRP 65 -7.562 -3.545 -2.345 281 HZ2 TRP 65 HZ2 TRP 65 -10.269 -1.004 -5.664 282 HZ3 TRP 65 HZ3 TRP 65 -6.538 -1.690 -3.633 283 HH2 TRP 65 HH2 TRP 65 -7.835 -0.510 -5.401 284 H SER 66 H SER 66 -9.723 -8.601 -2.977 285 HA SER 66 HA SER 66 -8.875 -10.268 -0.697 286 HB2 SER 66 HB2 SER 66 -8.437 -10.481 -3.699 287 HB3 SER 66 HB3 SER 66 -7.857 -11.658 -2.508 288 HG SER 66 HG SER 66 -9.827 -12.382 -3.215 289 H LEU 67 H LEU 67 -6.635 -10.693 -0.114 290 HA LEU 67 HA LEU 67 -5.052 -8.511 0.028 291 HB2 LEU 67 HB2 LEU 67 -5.074 -11.015 1.090 292 HB3 LEU 67 HB3 LEU 67 -3.656 -11.131 0.081 293 HG LEU 67 HG LEU 67 -4.256 -9.549 2.549 294 HD11 LEU 67 HD11 LEU 67 -1.767 -10.876 1.468 295 HD12 LEU 67 HD12 LEU 67 -2.037 -10.278 3.139 296 HD13 LEU 67 HD13 LEU 67 -3.004 -11.625 2.508 297 HD21 LEU 67 HD21 LEU 67 -3.638 -7.693 1.114 298 HD22 LEU 67 HD22 LEU 67 -2.350 -8.002 2.254 299 HD23 LEU 67 HD23 LEU 67 -2.219 -8.551 0.541 300 H ALA 68 H ALA 68 -4.849 -11.054 -2.470 301 HA ALA 68 HA ALA 68 -2.441 -10.294 -3.712 302 HB1 ALA 68 HB1 ALA 68 -5.037 -11.292 -4.965 303 HB2 ALA 68 HB2 ALA 68 -3.459 -11.240 -5.781 304 HB3 ALA 68 HB3 ALA 68 -3.682 -12.281 -4.365 305 H THR 69 H THR 69 -5.636 -8.618 -3.891 306 HA THR 69 HA THR 69 -5.086 -7.125 -6.227 307 HB THR 69 HB THR 69 -6.858 -6.250 -3.931 308 HG1 THR 69 HG1 THR 69 -7.531 -7.916 -6.147 309 HG21 THR 69 HG21 THR 69 -6.856 -5.738 -6.931 310 HG22 THR 69 HG22 THR 69 -8.111 -5.172 -5.776 311 HG23 THR 69 HG23 THR 69 -6.435 -4.570 -5.676 312 H VAL 70 H VAL 70 -4.835 -5.877 -2.771 313 HA VAL 70 HA VAL 70 -3.860 -3.413 -3.636 314 HB VAL 70 HB VAL 70 -4.757 -3.900 -1.347 315 HG11 VAL 70 HG11 VAL 70 -1.973 -4.930 -0.635 316 HG12 VAL 70 HG12 VAL 70 -3.399 -4.758 0.403 317 HG13 VAL 70 HG13 VAL 70 -3.405 -5.976 -0.874 318 HG21 VAL 70 HG21 VAL 70 -3.459 -1.856 -1.907 319 HG22 VAL 70 HG22 VAL 70 -3.241 -2.337 -0.200 320 HG23 VAL 70 HG23 VAL 70 -1.968 -2.679 -1.395 321 H LYS 71 H LYS 71 -1.986 -6.268 -2.810 322 HA LYS 71 HA LYS 71 0.618 -5.097 -3.062 323 HB2 LYS 71 HB2 LYS 71 -0.270 -7.976 -3.591 324 HB3 LYS 71 HB3 LYS 71 1.394 -7.416 -3.326 325 HG2 LYS 71 HG2 LYS 71 0.627 -6.516 -1.087 326 HG3 LYS 71 HG3 LYS 71 -0.911 -7.363 -1.328 327 HD2 LYS 71 HD2 LYS 71 0.364 -9.473 -1.716 328 HD3 LYS 71 HD3 LYS 71 1.856 -8.604 -1.295 329 HE2 LYS 71 HE2 LYS 71 0.298 -7.967 0.905 330 HE3 LYS 71 HE3 LYS 71 -0.425 -9.465 0.476 331 HZ1 LYS 71 HZ1 LYS 71 2.504 -9.236 0.933 332 HZ2 LYS 71 HZ2 LYS 71 1.454 -9.755 2.047 333 HZ3 LYS 71 HZ3 LYS 71 1.690 -10.627 0.681 334 H THR 72 H THR 72 -1.433 -6.696 -5.516 335 HA THR 72 HA THR 72 0.550 -6.169 -7.623 336 HB THR 72 HB THR 72 -1.151 -7.955 -7.901 337 HG1 THR 72 HG1 THR 72 -0.626 -7.710 -9.847 338 HG21 THR 72 HG21 THR 72 -3.054 -5.608 -8.251 339 HG22 THR 72 HG22 THR 72 -3.372 -7.244 -8.895 340 HG23 THR 72 HG23 THR 72 -3.162 -6.993 -7.164 341 H LEU 73 H LEU 73 -2.024 -4.136 -6.270 342 HA LEU 73 HA LEU 73 -1.945 -2.214 -8.381 343 HB2 LEU 73 HB2 LEU 73 -3.689 -2.944 -6.562 344 HB3 LEU 73 HB3 LEU 73 -2.810 -1.871 -5.477 345 HG LEU 73 HG LEU 73 -4.217 -1.162 -8.087 346 HD11 LEU 73 HD11 LEU 73 -4.859 -0.501 -5.184 347 HD12 LEU 73 HD12 LEU 73 -5.806 -0.048 -6.605 348 HD13 LEU 73 HD13 LEU 73 -5.672 -1.761 -6.152 349 HD21 LEU 73 HD21 LEU 73 -2.313 0.269 -7.843 350 HD22 LEU 73 HD22 LEU 73 -3.741 1.198 -7.291 351 HD23 LEU 73 HD23 LEU 73 -2.599 0.462 -6.112 352 H LEU 74 H LEU 74 -0.461 -2.415 -5.128 353 HA LEU 74 HA LEU 74 0.891 0.015 -4.944 354 HB2 LEU 74 HB2 LEU 74 1.603 -2.828 -4.124 355 HB3 LEU 74 HB3 LEU 74 2.808 -1.567 -3.915 356 HG LEU 74 HG LEU 74 0.059 -1.497 -2.733 357 HD11 LEU 74 HD11 LEU 74 2.011 -1.725 -0.713 358 HD12 LEU 74 HD12 LEU 74 1.046 -3.094 -1.379 359 HD13 LEU 74 HD13 LEU 74 2.690 -2.732 -1.964 360 HD21 LEU 74 HD21 LEU 74 0.950 0.719 -3.034 361 HD22 LEU 74 HD22 LEU 74 1.112 0.311 -1.288 362 HD23 LEU 74 HD23 LEU 74 2.524 0.238 -2.418 363 H GLY 75 H GLY 75 2.085 -2.900 -6.297 364 HA2 GLY 75 HA2 GLY 75 4.695 -2.110 -7.109 365 HA3 GLY 75 HA3 GLY 75 3.778 -3.435 -7.851 366 H ARG 76 H ARG 76 1.653 -1.300 -8.492 367 HA ARG 76 HA ARG 76 2.773 -0.539 -11.173 368 HB2 ARG 76 HB2 ARG 76 -0.050 -0.390 -10.105 369 HB3 ARG 76 HB3 ARG 76 0.434 0.071 -11.737 370 HG2 ARG 76 HG2 ARG 76 1.110 -2.238 -12.265 371 HG3 ARG 76 HG3 ARG 76 0.723 -2.752 -10.641 372 HD2 ARG 76 HD2 ARG 76 -1.688 -1.981 -11.109 373 HD3 ARG 76 HD3 ARG 76 -1.203 -1.850 -12.804 374 HE ARG 76 HE ARG 76 -0.854 -4.411 -11.282 375 HH11 ARG 76 HH11 ARG 76 -2.327 -2.899 -14.127 376 HH12 ARG 76 HH12 ARG 76 -3.197 -4.365 -14.519 377 HH21 ARG 76 HH21 ARG 76 -1.845 -6.241 -12.012 378 HH22 ARG 76 HH22 ARG 76 -2.783 -6.208 -13.499 379 H LEU 77 H LEU 77 1.433 0.849 -8.111 380 HA LEU 77 HA LEU 77 1.684 3.599 -8.958 381 HB2 LEU 77 HB2 LEU 77 2.342 2.673 -6.144 382 HB3 LEU 77 HB3 LEU 77 1.590 4.173 -6.680 383 HG LEU 77 HG LEU 77 0.320 1.417 -6.681 384 HD11 LEU 77 HD11 LEU 77 -0.292 3.769 -4.933 385 HD12 LEU 77 HD12 LEU 77 -0.916 2.101 -4.824 386 HD13 LEU 77 HD13 LEU 77 0.798 2.419 -4.511 387 HD21 LEU 77 HD21 LEU 77 -0.647 2.527 -8.454 388 HD22 LEU 77 HD22 LEU 77 -1.759 2.904 -7.087 389 HD23 LEU 77 HD23 LEU 77 -0.571 4.116 -7.643 390 H VAL 78 H VAL 78 3.792 1.480 -7.234 391 HA VAL 78 HA VAL 78 5.884 3.487 -6.999 392 HB VAL 78 HB VAL 78 6.775 2.450 -5.385 393 HG11 VAL 78 HG11 VAL 78 4.966 0.064 -5.622 394 HG12 VAL 78 HG12 VAL 78 5.721 0.730 -4.174 395 HG13 VAL 78 HG13 VAL 78 4.413 1.632 -4.979 396 HG21 VAL 78 HG21 VAL 78 8.252 1.068 -6.834 397 HG22 VAL 78 HG22 VAL 78 7.861 0.380 -5.283 398 HG23 VAL 78 HG23 VAL 78 7.020 -0.230 -6.753 399 H LYS 79 H LYS 79 5.768 0.720 -9.357 400 HA LYS 79 HA LYS 79 8.351 1.408 -10.453 401 HB2 LYS 79 HB2 LYS 79 6.188 -0.436 -11.166 402 HB3 LYS 79 HB3 LYS 79 6.664 0.522 -12.569 403 HG2 LYS 79 HG2 LYS 79 7.955 -1.358 -12.636 404 HG3 LYS 79 HG3 LYS 79 8.949 0.039 -12.178 405 HD2 LYS 79 HD2 LYS 79 9.792 -1.500 -10.661 406 HD3 LYS 79 HD3 LYS 79 8.486 -0.799 -9.712 407 HE2 LYS 79 HE2 LYS 79 8.153 -3.112 -9.499 408 HE3 LYS 79 HE3 LYS 79 6.976 -2.563 -10.729 409 HZ1 LYS 79 HZ1 LYS 79 9.653 -3.671 -11.476 410 HZ2 LYS 79 HZ2 LYS 79 8.374 -4.686 -11.232 411 HZ3 LYS 79 HZ3 LYS 79 8.324 -3.578 -12.419 412 H LYS 80 H LYS 80 5.279 2.832 -10.782 413 HA LYS 80 HA LYS 80 6.194 4.797 -12.847 414 HB2 LYS 80 HB2 LYS 80 3.995 3.633 -13.006 415 HB3 LYS 80 HB3 LYS 80 3.453 4.421 -11.562 416 HG2 LYS 80 HG2 LYS 80 3.024 6.349 -12.647 417 HG3 LYS 80 HG3 LYS 80 4.461 6.310 -13.611 418 HD2 LYS 80 HD2 LYS 80 2.165 4.372 -14.209 419 HD3 LYS 80 HD3 LYS 80 2.084 6.160 -14.774 420 HE2 LYS 80 HE2 LYS 80 4.065 5.897 -16.049 421 HE3 LYS 80 HE3 LYS 80 4.532 4.406 -15.365 422 HZ1 LYS 80 HZ1 LYS 80 1.988 4.484 -16.816 423 HZ2 LYS 80 HZ2 LYS 80 3.428 4.474 -17.684 424 HZ3 LYS 80 HZ3 LYS 80 3.076 3.260 -16.660 425 H GLU 81 H GLU 81 7.107 4.611 -9.965 426 HA GLU 81 HA GLU 81 7.670 5.897 -8.231 427 HB2 GLU 81 HB2 GLU 81 8.864 6.551 -10.560 428 HB3 GLU 81 HB3 GLU 81 8.280 8.150 -10.105 429 HG2 GLU 81 HG2 GLU 81 9.523 7.999 -7.974 430 HG3 GLU 81 HG3 GLU 81 9.923 6.301 -8.295 431 H MET 82 H MET 82 4.771 6.038 -8.429 432 HA MET 82 HA MET 82 4.064 8.838 -7.705 433 HB2 MET 82 HB2 MET 82 2.487 6.216 -7.512 434 HB3 MET 82 HB3 MET 82 1.841 7.820 -7.310 435 HG2 MET 82 HG2 MET 82 3.072 6.771 -9.848 436 HG3 MET 82 HG3 MET 82 1.357 6.773 -9.491 437 HE1 MET 82 HE1 MET 82 0.171 8.193 -11.151 438 HE2 MET 82 HE2 MET 82 0.856 9.621 -11.934 439 HE3 MET 82 HE3 MET 82 1.629 8.046 -12.152 440 H LEU 83 H LEU 83 4.618 5.693 -6.219 441 HA LEU 83 HA LEU 83 4.594 6.922 -3.489 442 HB2 LEU 83 HB2 LEU 83 3.995 4.014 -4.143 443 HB3 LEU 83 HB3 LEU 83 4.065 4.747 -2.546 444 HG LEU 83 HG LEU 83 1.888 4.856 -4.631 445 HD11 LEU 83 HD11 LEU 83 1.886 4.678 -1.570 446 HD12 LEU 83 HD12 LEU 83 0.512 4.402 -2.652 447 HD13 LEU 83 HD13 LEU 83 1.882 3.286 -2.669 448 HD21 LEU 83 HD21 LEU 83 2.050 7.159 -4.354 449 HD22 LEU 83 HD22 LEU 83 0.814 6.701 -3.205 450 HD23 LEU 83 HD23 LEU 83 2.469 7.066 -2.620 451 H SER 84 H SER 84 6.042 5.972 -1.913 452 HA SER 84 HA SER 84 8.500 4.806 -3.183 453 HB2 SER 84 HB2 SER 84 8.420 5.991 -0.424 454 HB3 SER 84 HB3 SER 84 9.757 5.488 -1.520 455 HG SER 84 HG SER 84 8.425 7.909 -1.224 456 H THR 85 H THR 85 9.547 3.068 -2.183 457 HA THR 85 HA THR 85 8.582 2.075 0.435 458 HB THR 85 HB THR 85 7.131 1.046 -1.156 459 HG1 THR 85 HG1 THR 85 8.112 -0.331 0.412 460 HG21 THR 85 HG21 THR 85 9.572 0.194 -2.724 461 HG22 THR 85 HG22 THR 85 7.859 -0.194 -3.097 462 HG23 THR 85 HG23 THR 85 8.450 1.487 -3.193 463 H GLU 86 H GLU 86 9.961 0.579 1.499 464 HA GLU 86 HA GLU 86 12.542 -0.162 0.249 465 HB2 GLU 86 HB2 GLU 86 12.320 1.224 2.963 466 HB3 GLU 86 HB3 GLU 86 13.657 0.175 2.514 467 HG2 GLU 86 HG2 GLU 86 13.952 1.731 0.455 468 HG3 GLU 86 HG3 GLU 86 12.960 2.875 1.353 469 H LYS 87 H LYS 87 13.467 -2.116 1.197 470 HA LYS 87 HA LYS 87 11.512 -4.000 2.312 471 HB2 LYS 87 HB2 LYS 87 13.073 -4.568 0.470 472 HB3 LYS 87 HB3 LYS 87 14.439 -4.156 1.518 473 HG2 LYS 87 HG2 LYS 87 13.608 -6.063 3.042 474 HG3 LYS 87 HG3 LYS 87 12.452 -6.456 1.741 475 HD2 LYS 87 HD2 LYS 87 14.412 -6.529 0.136 476 HD3 LYS 87 HD3 LYS 87 15.480 -6.221 1.547 477 HE2 LYS 87 HE2 LYS 87 14.603 -8.189 2.642 478 HE3 LYS 87 HE3 LYS 87 13.533 -8.502 1.257 479 HZ1 LYS 87 HZ1 LYS 87 16.485 -8.355 0.929 480 HZ2 LYS 87 HZ2 LYS 87 15.752 -9.794 1.342 481 HZ3 LYS 87 HZ3 LYS 87 15.428 -9.065 -0.082 482 H GLU 88 H GLU 88 11.381 -4.509 4.443 483 HA GLU 88 HA GLU 88 13.681 -3.901 6.286 484 HB2 GLU 88 HB2 GLU 88 10.776 -3.410 6.631 485 HB3 GLU 88 HB3 GLU 88 11.588 -4.107 8.016 486 HG2 GLU 88 HG2 GLU 88 12.646 -1.628 6.585 487 HG3 GLU 88 HG3 GLU 88 11.488 -1.565 7.913 488 H GLY 89 H GLY 89 14.506 -5.768 5.341 489 HA2 GLY 89 HA2 GLY 89 15.196 -7.911 5.298 490 HA3 GLY 89 HA3 GLY 89 14.501 -8.073 6.913 491 H ARG 90 H ARG 90 12.172 -8.505 6.983 492 HA ARG 90 HA ARG 90 11.423 -10.643 5.009 493 HB2 ARG 90 HB2 ARG 90 11.793 -10.745 7.829 494 HB3 ARG 90 HB3 ARG 90 10.051 -10.758 7.624 495 HG2 ARG 90 HG2 ARG 90 12.008 -12.676 6.289 496 HG3 ARG 90 HG3 ARG 90 11.085 -13.005 7.743 497 HD2 ARG 90 HD2 ARG 90 8.976 -12.665 6.419 498 HD3 ARG 90 HD3 ARG 90 9.969 -12.535 4.945 499 HE ARG 90 HE ARG 90 10.795 -14.923 6.121 500 HH11 ARG 90 HH11 ARG 90 7.667 -13.809 4.932 501 HH12 ARG 90 HH12 ARG 90 7.132 -15.477 4.704 502 HH21 ARG 90 HH21 ARG 90 9.992 -16.914 5.812 503 HH22 ARG 90 HH22 ARG 90 8.341 -17.109 5.183 504 H LYS 91 H LYS 91 10.331 -7.602 6.433 505 HA LYS 91 HA LYS 91 7.725 -7.792 5.117 506 HB2 LYS 91 HB2 LYS 91 8.424 -7.173 7.697 507 HB3 LYS 91 HB3 LYS 91 8.681 -5.597 6.962 508 HG2 LYS 91 HG2 LYS 91 6.503 -5.411 7.534 509 HG3 LYS 91 HG3 LYS 91 6.306 -6.078 5.912 510 HD2 LYS 91 HD2 LYS 91 4.828 -7.420 7.041 511 HD3 LYS 91 HD3 LYS 91 6.300 -8.404 7.196 512 HE2 LYS 91 HE2 LYS 91 6.622 -7.698 9.475 513 HE3 LYS 91 HE3 LYS 91 5.467 -6.360 9.301 514 HZ1 LYS 91 HZ1 LYS 91 4.697 -9.227 9.203 515 HZ2 LYS 91 HZ2 LYS 91 4.537 -8.282 10.531 516 HZ3 LYS 91 HZ3 LYS 91 3.665 -7.959 9.168 517 H PHE 92 H PHE 92 7.050 -5.471 4.397 518 HA PHE 92 HA PHE 92 9.198 -4.056 2.868 519 HB2 PHE 92 HB2 PHE 92 7.039 -5.694 1.756 520 HB3 PHE 92 HB3 PHE 92 6.893 -4.014 1.261 521 HD1 PHE 92 HD1 PHE 92 9.016 -7.010 1.144 522 HD2 PHE 92 HD2 PHE 92 8.552 -2.913 -0.060 523 HE1 PHE 92 HE1 PHE 92 10.883 -7.288 -0.486 524 HE2 PHE 92 HE2 PHE 92 10.457 -3.155 -1.651 525 HZ PHE 92 HZ PHE 92 11.629 -5.351 -1.868 526 H VAL 93 H VAL 93 9.109 -1.919 3.274 527 HA VAL 93 HA VAL 93 6.710 -0.816 4.637 528 HB VAL 93 HB VAL 93 9.619 0.009 4.612 529 HG11 VAL 93 HG11 VAL 93 7.313 1.531 5.896 530 HG12 VAL 93 HG12 VAL 93 9.036 1.884 6.085 531 HG13 VAL 93 HG13 VAL 93 8.264 2.110 4.509 532 HG21 VAL 93 HG21 VAL 93 9.116 -1.828 6.099 533 HG22 VAL 93 HG22 VAL 93 9.276 -0.376 7.099 534 HG23 VAL 93 HG23 VAL 93 7.653 -1.024 6.736 535 H TYR 94 H TYR 94 5.755 0.966 3.963 536 HA TYR 94 HA TYR 94 6.307 2.034 1.245 537 HB2 TYR 94 HB2 TYR 94 3.693 1.250 2.609 538 HB3 TYR 94 HB3 TYR 94 3.776 2.189 1.121 539 HD1 TYR 94 HD1 TYR 94 4.811 1.268 -0.919 540 HD2 TYR 94 HD2 TYR 94 4.207 -1.230 2.564 541 HE1 TYR 94 HE1 TYR 94 5.406 -0.752 -2.235 542 HE2 TYR 94 HE2 TYR 94 4.705 -3.208 1.219 543 HH TYR 94 HH TYR 94 5.873 -2.979 -2.135 544 H ARG 95 H ARG 95 6.690 4.000 1.201 545 HA ARG 95 HA ARG 95 5.870 6.008 3.274 546 HB2 ARG 95 HB2 ARG 95 8.480 5.454 1.849 547 HB3 ARG 95 HB3 ARG 95 8.045 7.138 2.030 548 HG2 ARG 95 HG2 ARG 95 7.771 6.787 4.480 549 HG3 ARG 95 HG3 ARG 95 8.404 5.144 4.272 550 HD2 ARG 95 HD2 ARG 95 10.562 5.969 3.691 551 HD3 ARG 95 HD3 ARG 95 9.949 7.585 3.267 552 HE ARG 95 HE ARG 95 9.329 7.461 5.913 553 HH11 ARG 95 HH11 ARG 95 12.505 6.629 4.501 554 HH12 ARG 95 HH12 ARG 95 13.282 6.932 6.002 555 HH21 ARG 95 HH21 ARG 95 10.415 7.824 7.701 556 HH22 ARG 95 HH22 ARG 95 12.162 7.850 7.691 557 HA PRO 96 HA PRO 96 4.316 8.561 -0.157 558 HB2 PRO 96 HB2 PRO 96 4.618 11.080 0.871 559 HB3 PRO 96 HB3 PRO 96 3.401 9.924 1.487 560 HG2 PRO 96 HG2 PRO 96 6.162 10.502 2.612 561 HG3 PRO 96 HG3 PRO 96 4.588 10.463 3.489 562 HD2 PRO 96 HD2 PRO 96 6.277 8.328 3.434 563 HD3 PRO 96 HD3 PRO 96 4.512 8.109 3.420 564 H LEU 97 H LEU 97 5.274 10.812 -1.234 565 HA LEU 97 HA LEU 97 8.192 10.533 -1.630 566 HB2 LEU 97 HB2 LEU 97 5.952 10.851 -3.572 567 HB3 LEU 97 HB3 LEU 97 7.177 12.070 -3.758 568 HG LEU 97 HG LEU 97 7.703 10.386 -5.279 569 HD11 LEU 97 HD11 LEU 97 9.590 9.844 -2.977 570 HD12 LEU 97 HD12 LEU 97 9.921 9.797 -4.712 571 HD13 LEU 97 HD13 LEU 97 9.591 11.355 -3.929 572 HD21 LEU 97 HD21 LEU 97 6.581 8.471 -4.672 573 HD22 LEU 97 HD22 LEU 97 8.255 7.982 -4.312 574 HD23 LEU 97 HD23 LEU 97 7.183 8.479 -3.012 575 H MET 98 H MET 98 9.184 12.688 -2.279 576 HA MET 98 HA MET 98 8.630 14.572 -0.094 577 HB2 MET 98 HB2 MET 98 10.945 13.868 -0.689 578 HB3 MET 98 HB3 MET 98 10.742 14.576 -2.290 579 HG2 MET 98 HG2 MET 98 11.986 16.117 -1.058 580 HG3 MET 98 HG3 MET 98 10.393 16.831 -1.173 581 HE1 MET 98 HE1 MET 98 8.573 16.393 1.199 582 HE2 MET 98 HE2 MET 98 9.353 17.356 2.454 583 HE3 MET 98 HE3 MET 98 9.312 17.952 0.793 584 H GLU 99 H GLU 99 7.261 16.248 -0.297 585 HA GLU 99 HA GLU 99 7.347 18.039 -2.567 586 HB2 GLU 99 HB2 GLU 99 5.388 16.013 -2.683 587 HB3 GLU 99 HB3 GLU 99 4.536 17.356 -1.935 588 HG2 GLU 99 HG2 GLU 99 5.740 18.712 -3.962 589 HG3 GLU 99 HG3 GLU 99 5.740 17.113 -4.690 Start of MODEL 3 1 H PHE 31 H1 PHE 31 -22.144 10.698 -11.810 2 HA PHE 31 HA PHE 31 -20.643 11.032 -10.043 3 HB2 PHE 31 HB2 PHE 31 -22.014 10.098 -8.247 4 HB3 PHE 31 HB3 PHE 31 -21.833 8.477 -8.900 5 HD1 PHE 31 HD1 PHE 31 -20.120 11.257 -7.137 6 HD2 PHE 31 HD2 PHE 31 -19.734 7.213 -8.605 7 HE1 PHE 31 HE1 PHE 31 -18.053 10.963 -5.805 8 HE2 PHE 31 HE2 PHE 31 -17.660 6.932 -7.264 9 HZ PHE 31 HZ PHE 31 -16.820 8.802 -5.864 10 H ASN 32 H ASN 32 -18.794 10.730 -11.303 11 HA ASN 32 HA ASN 32 -18.025 7.919 -11.861 12 HB2 ASN 32 HB2 ASN 32 -19.311 8.706 -13.845 13 HB3 ASN 32 HB3 ASN 32 -18.125 10.013 -14.057 14 HD21 ASN 32 HD22 ASN 32 -17.674 9.010 -16.221 15 HD22 ASN 32 HD21 ASN 32 -16.598 7.602 -16.213 16 H VAL 33 H VAL 33 -16.700 8.758 -9.953 17 HA VAL 33 HA VAL 33 -14.013 9.422 -11.054 18 HB VAL 33 HB VAL 33 -13.517 10.934 -9.153 19 HG11 VAL 33 HG11 VAL 33 -15.802 11.936 -10.866 20 HG12 VAL 33 HG12 VAL 33 -14.534 12.896 -10.066 21 HG13 VAL 33 HG13 VAL 33 -14.116 11.798 -11.389 22 HG21 VAL 33 HG21 VAL 33 -15.294 10.244 -7.572 23 HG22 VAL 33 HG22 VAL 33 -15.317 11.984 -7.876 24 HG23 VAL 33 HG23 VAL 33 -16.527 10.940 -8.648 25 H SER 34 H SER 34 -15.363 6.927 -10.000 26 HA SER 34 HA SER 34 -14.144 6.355 -7.439 27 HB2 SER 34 HB2 SER 34 -16.373 5.492 -8.576 28 HB3 SER 34 HB3 SER 34 -15.331 4.186 -9.159 29 HG SER 34 HG SER 34 -14.940 3.611 -7.086 30 H ASN 35 H ASN 35 -12.037 7.057 -8.910 31 HA ASN 35 HA ASN 35 -10.558 4.828 -10.142 32 HB2 ASN 35 HB2 ASN 35 -9.833 7.670 -9.262 33 HB3 ASN 35 HB3 ASN 35 -8.663 6.547 -9.942 34 HD21 ASN 35 HD22 ASN 35 -12.019 7.078 -11.146 35 HD22 ASN 35 HD21 ASN 35 -11.446 7.746 -12.667 36 H ALA 36 H ALA 36 -8.680 3.814 -9.191 37 HA ALA 36 HA ALA 36 -8.913 3.118 -6.446 38 HB1 ALA 36 HB1 ALA 36 -6.542 2.803 -8.355 39 HB2 ALA 36 HB2 ALA 36 -6.742 1.965 -6.810 40 HB3 ALA 36 HB3 ALA 36 -7.889 1.653 -8.133 41 H GLU 37 H GLU 37 -6.903 5.581 -7.963 42 HA GLU 37 HA GLU 37 -5.323 6.241 -5.630 43 HB2 GLU 37 HB2 GLU 37 -5.617 7.558 -8.347 44 HB3 GLU 37 HB3 GLU 37 -4.555 8.174 -7.077 45 HG2 GLU 37 HG2 GLU 37 -4.335 5.382 -8.278 46 HG3 GLU 37 HG3 GLU 37 -3.366 6.776 -8.759 47 H LEU 38 H LEU 38 -7.425 6.171 -4.589 48 HA LEU 38 HA LEU 38 -8.057 8.888 -3.601 49 HB2 LEU 38 HB2 LEU 38 -9.815 8.278 -5.177 50 HB3 LEU 38 HB3 LEU 38 -10.071 6.723 -4.410 51 HG LEU 38 HG LEU 38 -10.503 9.312 -2.867 52 HD11 LEU 38 HD11 LEU 38 -12.483 7.871 -4.683 53 HD12 LEU 38 HD12 LEU 38 -12.877 9.208 -3.572 54 HD13 LEU 38 HD13 LEU 38 -11.801 9.489 -4.943 55 HD21 LEU 38 HD21 LEU 38 -10.623 7.245 -1.498 56 HD22 LEU 38 HD22 LEU 38 -12.224 7.952 -1.686 57 HD23 LEU 38 HD23 LEU 38 -11.776 6.534 -2.657 58 H ILE 39 H ILE 39 -8.392 5.367 -3.229 59 HA ILE 39 HA ILE 39 -8.398 5.347 -0.313 60 HB ILE 39 HB ILE 39 -8.242 3.051 -2.278 61 HG12 ILE 39 HG12 ILE 39 -10.564 4.471 -0.900 62 HG13 ILE 39 HG13 ILE 39 -10.279 4.305 -2.639 63 HG21 ILE 39 HG21 ILE 39 -8.930 3.088 0.701 64 HG22 ILE 39 HG22 ILE 39 -8.874 1.659 -0.352 65 HG23 ILE 39 HG23 ILE 39 -7.392 2.506 0.037 66 HD11 ILE 39 HD11 ILE 39 -11.101 2.138 -0.707 67 HD12 ILE 39 HD12 ILE 39 -12.023 2.809 -2.059 68 HD13 ILE 39 HD13 ILE 39 -10.580 1.818 -2.385 69 H VAL 40 H VAL 40 -6.194 3.584 -2.562 70 HA VAL 40 HA VAL 40 -4.307 3.153 -0.461 71 HB VAL 40 HB VAL 40 -2.866 2.163 -2.248 72 HG11 VAL 40 HG11 VAL 40 -5.764 1.228 -2.109 73 HG12 VAL 40 HG12 VAL 40 -4.369 0.257 -2.632 74 HG13 VAL 40 HG13 VAL 40 -4.469 0.832 -0.964 75 HG21 VAL 40 HG21 VAL 40 -3.557 3.454 -4.219 76 HG22 VAL 40 HG22 VAL 40 -3.844 1.746 -4.467 77 HG23 VAL 40 HG23 VAL 40 -5.211 2.811 -4.114 78 H MET 41 H MET 41 -4.041 5.417 -3.281 79 HA MET 41 HA MET 41 -1.657 6.650 -2.688 80 HB2 MET 41 HB2 MET 41 -3.480 7.205 -4.472 81 HB3 MET 41 HB3 MET 41 -4.169 8.255 -3.256 82 HG2 MET 41 HG2 MET 41 -1.858 9.384 -3.133 83 HG3 MET 41 HG3 MET 41 -1.399 8.378 -4.505 84 HE1 MET 41 HE1 MET 41 -3.467 11.370 -3.168 85 HE2 MET 41 HE2 MET 41 -4.414 11.899 -4.574 86 HE3 MET 41 HE3 MET 41 -4.835 10.390 -3.748 87 H ARG 42 H ARG 42 -4.551 6.748 -0.682 88 HA ARG 42 HA ARG 42 -3.591 9.150 0.782 89 HB2 ARG 42 HB2 ARG 42 -5.868 8.973 -0.267 90 HB3 ARG 42 HB3 ARG 42 -6.287 7.742 0.953 91 HG2 ARG 42 HG2 ARG 42 -5.739 9.450 2.742 92 HG3 ARG 42 HG3 ARG 42 -5.468 10.642 1.471 93 HD2 ARG 42 HD2 ARG 42 -8.058 9.146 2.074 94 HD3 ARG 42 HD3 ARG 42 -7.702 10.854 2.404 95 HE ARG 42 HE ARG 42 -7.465 10.051 -0.412 96 HH11 ARG 42 HH11 ARG 42 -9.813 10.964 1.981 97 HH12 ARG 42 HH12 ARG 42 -10.894 11.673 0.820 98 HH21 ARG 42 HH21 ARG 42 -8.773 11.215 -1.865 99 HH22 ARG 42 HH22 ARG 42 -10.303 11.831 -1.305 100 H VAL 43 H VAL 43 -4.647 5.754 1.636 101 HA VAL 43 HA VAL 43 -4.455 6.327 4.403 102 HB VAL 43 HB VAL 43 -4.615 4.147 4.982 103 HG11 VAL 43 HG11 VAL 43 -6.460 3.277 3.770 104 HG12 VAL 43 HG12 VAL 43 -6.558 5.044 3.683 105 HG13 VAL 43 HG13 VAL 43 -5.980 4.109 2.282 106 HG21 VAL 43 HG21 VAL 43 -2.762 3.046 3.867 107 HG22 VAL 43 HG22 VAL 43 -4.224 2.128 3.585 108 HG23 VAL 43 HG23 VAL 43 -3.575 3.192 2.293 109 H ILE 44 H ILE 44 -1.863 5.209 2.260 110 HA ILE 44 HA ILE 44 0.097 4.716 4.290 111 HB ILE 44 HB ILE 44 0.315 5.487 1.341 112 HG12 ILE 44 HG12 ILE 44 0.796 2.835 2.691 113 HG13 ILE 44 HG13 ILE 44 -0.825 3.299 2.176 114 HG21 ILE 44 HG21 ILE 44 2.484 4.546 3.280 115 HG22 ILE 44 HG22 ILE 44 2.678 4.576 1.509 116 HG23 ILE 44 HG23 ILE 44 2.433 6.082 2.399 117 HD11 ILE 44 HD11 ILE 44 1.568 2.940 0.325 118 HD12 ILE 44 HD12 ILE 44 0.143 1.892 0.463 119 HD13 ILE 44 HD13 ILE 44 -0.046 3.528 -0.158 120 H TRP 45 H TRP 45 -0.776 7.595 2.486 121 HA TRP 45 HA TRP 45 1.555 9.184 3.075 122 HB2 TRP 45 HB2 TRP 45 0.085 9.613 1.163 123 HB3 TRP 45 HB3 TRP 45 -1.294 9.883 2.226 124 HD1 TRP 45 HD1 TRP 45 -1.301 12.107 3.706 125 HE1 TRP 45 HE1 TRP 45 0.026 14.254 3.691 126 HE3 TRP 45 HE3 TRP 45 2.127 10.888 0.111 127 HZ2 TRP 45 HZ2 TRP 45 2.207 15.429 2.143 128 HZ3 TRP 45 HZ3 TRP 45 3.849 12.543 -0.596 129 HH2 TRP 45 HH2 TRP 45 3.901 14.797 0.430 130 H SER 46 H SER 46 -1.250 8.413 4.983 131 HA SER 46 HA SER 46 -1.201 11.006 6.425 132 HB2 SER 46 HB2 SER 46 -3.163 10.293 7.554 133 HB3 SER 46 HB3 SER 46 -3.311 9.883 5.842 134 HG SER 46 HG SER 46 -3.934 8.074 6.949 135 H LEU 47 H LEU 47 -0.236 7.699 7.092 136 HA LEU 47 HA LEU 47 0.767 8.111 9.804 137 HB2 LEU 47 HB2 LEU 47 1.303 6.025 7.647 138 HB3 LEU 47 HB3 LEU 47 2.090 6.067 9.218 139 HG LEU 47 HG LEU 47 -0.274 5.911 10.255 140 HD11 LEU 47 HD11 LEU 47 -0.886 4.957 7.409 141 HD12 LEU 47 HD12 LEU 47 -1.894 4.625 8.827 142 HD13 LEU 47 HD13 LEU 47 -1.695 6.288 8.261 143 HD21 LEU 47 HD21 LEU 47 1.421 4.172 10.217 144 HD22 LEU 47 HD22 LEU 47 -0.166 3.430 9.885 145 HD23 LEU 47 HD23 LEU 47 0.987 3.747 8.555 146 H GLY 48 H GLY 48 2.529 7.301 6.891 147 HA2 GLY 48 HA2 GLY 48 4.212 9.173 6.075 148 HA3 GLY 48 HA3 GLY 48 4.920 8.909 7.677 149 H GLU 49 H GLU 49 4.371 6.046 7.784 150 HA GLU 49 HA GLU 49 5.565 4.741 5.456 151 HB2 GLU 49 HB2 GLU 49 7.476 4.685 6.731 152 HB3 GLU 49 HB3 GLU 49 6.671 4.951 8.255 153 HG2 GLU 49 HG2 GLU 49 6.447 2.351 6.796 154 HG3 GLU 49 HG3 GLU 49 7.816 2.710 7.857 155 H ALA 50 H ALA 50 4.571 2.747 5.143 156 HA ALA 50 HA ALA 50 3.079 1.523 7.362 157 HB1 ALA 50 HB1 ALA 50 1.817 2.117 4.655 158 HB2 ALA 50 HB2 ALA 50 1.096 1.099 5.934 159 HB3 ALA 50 HB3 ALA 50 1.345 2.834 6.210 160 H ARG 51 H ARG 51 3.771 -0.496 7.475 161 HA ARG 51 HA ARG 51 5.265 -1.858 5.397 162 HB2 ARG 51 HB2 ARG 51 3.911 -3.025 7.876 163 HB3 ARG 51 HB3 ARG 51 5.115 -3.823 6.843 164 HG2 ARG 51 HG2 ARG 51 6.500 -1.608 7.341 165 HG3 ARG 51 HG3 ARG 51 5.499 -1.517 8.772 166 HD2 ARG 51 HD2 ARG 51 6.907 -4.130 8.126 167 HD3 ARG 51 HD3 ARG 51 7.876 -2.763 8.625 168 HE ARG 51 HE ARG 51 7.310 -3.044 10.757 169 HH11 ARG 51 HH11 ARG 51 4.521 -4.636 9.084 170 HH12 ARG 51 HH12 ARG 51 3.861 -5.036 10.632 171 HH21 ARG 51 HH21 ARG 51 6.220 -3.498 12.530 172 HH22 ARG 51 HH22 ARG 51 4.696 -4.364 12.472 173 H VAL 52 H VAL 52 4.549 -3.943 4.289 174 HA VAL 52 HA VAL 52 2.277 -3.617 2.802 175 HB VAL 52 HB VAL 52 3.407 -4.986 1.621 176 HG11 VAL 52 HG11 VAL 52 4.573 -6.211 4.151 177 HG12 VAL 52 HG12 VAL 52 5.090 -6.602 2.483 178 HG13 VAL 52 HG13 VAL 52 5.306 -4.955 3.104 179 HG21 VAL 52 HG21 VAL 52 1.492 -6.328 1.960 180 HG22 VAL 52 HG22 VAL 52 2.916 -7.360 1.752 181 HG23 VAL 52 HG23 VAL 52 2.228 -7.137 3.400 182 H ASP 53 H ASP 53 2.569 -5.396 5.724 183 HA ASP 53 HA ASP 53 -0.079 -6.592 5.570 184 HB2 ASP 53 HB2 ASP 53 0.665 -7.699 7.552 185 HB3 ASP 53 HB3 ASP 53 1.851 -7.813 6.316 186 H GLU 54 H GLU 54 1.189 -3.606 6.538 187 HA GLU 54 HA GLU 54 -1.036 -2.922 8.362 188 HB2 GLU 54 HB2 GLU 54 1.638 -1.961 7.893 189 HB3 GLU 54 HB3 GLU 54 0.560 -0.687 7.410 190 HG2 GLU 54 HG2 GLU 54 0.774 -2.184 10.095 191 HG3 GLU 54 HG3 GLU 54 1.273 -0.534 9.795 192 H ILE 55 H ILE 55 0.165 -2.035 5.114 193 HA ILE 55 HA ILE 55 -1.926 -0.162 4.519 194 HB ILE 55 HB ILE 55 -1.367 -0.575 2.094 195 HG12 ILE 55 HG12 ILE 55 0.507 -2.493 3.446 196 HG13 ILE 55 HG13 ILE 55 -0.584 -2.844 2.075 197 HG21 ILE 55 HG21 ILE 55 1.044 -0.094 3.838 198 HG22 ILE 55 HG22 ILE 55 0.687 0.564 2.205 199 HG23 ILE 55 HG23 ILE 55 -0.278 1.098 3.630 200 HD11 ILE 55 HD11 ILE 55 2.119 -1.549 2.241 201 HD12 ILE 55 HD12 ILE 55 1.515 -2.830 1.133 202 HD13 ILE 55 HD13 ILE 55 1.058 -1.102 0.877 203 H TYR 56 H TYR 56 -1.712 -3.672 3.776 204 HA TYR 56 HA TYR 56 -4.360 -3.967 2.802 205 HB2 TYR 56 HB2 TYR 56 -2.655 -5.651 2.633 206 HB3 TYR 56 HB3 TYR 56 -2.454 -5.715 4.382 207 HD1 TYR 56 HD2 TYR 56 -5.379 -5.940 2.024 208 HD2 TYR 56 HD1 TYR 56 -3.197 -7.645 5.292 209 HE1 TYR 56 HE2 TYR 56 -7.178 -7.672 2.281 210 HE2 TYR 56 HE1 TYR 56 -5.054 -9.330 5.663 211 HH TYR 56 HH TYR 56 -7.113 -10.084 4.913 212 H ALA 57 H ALA 57 -3.169 -3.794 6.155 213 HA ALA 57 HA ALA 57 -5.651 -4.630 7.378 214 HB1 ALA 57 HB1 ALA 57 -3.518 -2.828 8.565 215 HB2 ALA 57 HB2 ALA 57 -4.700 -3.810 9.430 216 HB3 ALA 57 HB3 ALA 57 -3.398 -4.614 8.510 217 H GLN 58 H GLN 58 -4.790 -1.626 5.797 218 HA GLN 58 HA GLN 58 -6.755 -0.074 7.256 219 HB2 GLN 58 HB2 GLN 58 -4.422 0.253 5.540 220 HB3 GLN 58 HB3 GLN 58 -5.763 1.076 4.791 221 HG2 GLN 58 HG2 GLN 58 -4.365 2.431 6.252 222 HG3 GLN 58 HG3 GLN 58 -6.108 2.447 6.648 223 HE21 GLN 58 HE22 GLN 58 -3.311 0.275 7.568 224 HE22 GLN 58 HE21 GLN 58 -3.598 0.470 9.266 225 H ILE 59 H ILE 59 -7.060 -2.367 4.827 226 HA ILE 59 HA ILE 59 -9.046 -0.983 3.179 227 HB ILE 59 HB ILE 59 -7.549 -3.585 2.927 228 HG12 ILE 59 HG12 ILE 59 -7.299 -0.803 1.669 229 HG13 ILE 59 HG13 ILE 59 -6.200 -1.506 2.841 230 HG21 ILE 59 HG21 ILE 59 -9.138 -2.265 0.731 231 HG22 ILE 59 HG22 ILE 59 -8.309 -3.828 0.710 232 HG23 ILE 59 HG23 ILE 59 -9.759 -3.643 1.690 233 HD11 ILE 59 HD11 ILE 59 -6.567 -2.366 -0.004 234 HD12 ILE 59 HD12 ILE 59 -5.163 -1.601 0.759 235 HD13 ILE 59 HD13 ILE 59 -5.627 -3.271 1.210 236 HA PRO 60 HA PRO 60 -12.211 -3.168 5.590 237 HB2 PRO 60 HB2 PRO 60 -14.354 -1.549 5.102 238 HB3 PRO 60 HB3 PRO 60 -12.959 -1.013 6.101 239 HG2 PRO 60 HG2 PRO 60 -13.421 -0.492 3.143 240 HG3 PRO 60 HG3 PRO 60 -13.064 0.706 4.424 241 HD2 PRO 60 HD2 PRO 60 -11.090 -0.324 2.865 242 HD3 PRO 60 HD3 PRO 60 -10.832 -0.016 4.605 243 H GLN 61 H GLN 61 -14.193 -4.277 5.286 244 HA GLN 61 HA GLN 61 -14.335 -5.987 3.157 245 HB2 GLN 61 HB2 GLN 61 -15.561 -5.822 5.583 246 HB3 GLN 61 HB3 GLN 61 -16.927 -5.437 4.553 247 HG2 GLN 61 HG2 GLN 61 -15.192 -7.936 4.507 248 HG3 GLN 61 HG3 GLN 61 -16.872 -7.826 5.037 249 HE21 GLN 61 HE22 GLN 61 -15.010 -8.935 2.550 250 HE22 GLN 61 HE21 GLN 61 -16.161 -8.693 1.216 251 H GLU 62 H GLU 62 -16.224 -2.959 3.399 252 HA GLU 62 HA GLU 62 -18.122 -3.310 1.377 253 HB2 GLU 62 HB2 GLU 62 -16.622 -0.712 2.015 254 HB3 GLU 62 HB3 GLU 62 -18.161 -0.865 1.167 255 HG2 GLU 62 HG2 GLU 62 -19.079 -2.022 3.256 256 HG3 GLU 62 HG3 GLU 62 -17.626 -1.435 4.073 257 H LEU 63 H LEU 63 -14.775 -3.145 0.753 258 HA LEU 63 HA LEU 63 -14.979 -2.128 -1.987 259 HB2 LEU 63 HB2 LEU 63 -12.654 -3.206 -0.432 260 HB3 LEU 63 HB3 LEU 63 -12.562 -2.246 -1.978 261 HG LEU 63 HG LEU 63 -13.538 -1.239 0.839 262 HD11 LEU 63 HD11 LEU 63 -10.988 -0.868 -0.780 263 HD12 LEU 63 HD12 LEU 63 -11.450 0.075 0.667 264 HD13 LEU 63 HD13 LEU 63 -11.259 -1.694 0.769 265 HD21 LEU 63 HD21 LEU 63 -14.712 -0.165 -0.957 266 HD22 LEU 63 HD22 LEU 63 -13.493 0.957 -0.325 267 HD23 LEU 63 HD23 LEU 63 -13.238 0.118 -1.879 268 H GLU 64 H GLU 64 -14.820 -4.941 -0.280 269 HA GLU 64 HA GLU 64 -14.726 -7.256 -0.763 270 HB2 GLU 64 HB2 GLU 64 -15.563 -6.579 -3.593 271 HB3 GLU 64 HB3 GLU 64 -15.686 -8.149 -2.785 272 HG2 GLU 64 HG2 GLU 64 -17.205 -7.101 -1.086 273 HG3 GLU 64 HG3 GLU 64 -17.226 -5.633 -2.059 274 H TRP 65 H TRP 65 -12.285 -5.629 -1.256 275 HA TRP 65 HA TRP 65 -10.763 -6.871 -3.334 276 HB2 TRP 65 HB2 TRP 65 -9.996 -5.253 -0.872 277 HB3 TRP 65 HB3 TRP 65 -8.806 -5.864 -2.017 278 HD1 TRP 65 HD1 TRP 65 -11.930 -4.510 -3.641 279 HE1 TRP 65 HE1 TRP 65 -11.483 -2.235 -4.721 280 HE3 TRP 65 HE3 TRP 65 -7.237 -3.698 -1.797 281 HZ2 TRP 65 HZ2 TRP 65 -9.362 -0.296 -4.751 282 HZ3 TRP 65 HZ3 TRP 65 -6.002 -1.618 -2.404 283 HH2 TRP 65 HH2 TRP 65 -7.072 0.096 -3.855 284 H SER 66 H SER 66 -8.788 -8.032 -2.997 285 HA SER 66 HA SER 66 -8.775 -10.023 -0.748 286 HB2 SER 66 HB2 SER 66 -9.175 -11.115 -2.915 287 HB3 SER 66 HB3 SER 66 -7.808 -10.251 -3.638 288 HG SER 66 HG SER 66 -7.694 -12.126 -1.495 289 H LEU 67 H LEU 67 -6.539 -10.437 0.143 290 HA LEU 67 HA LEU 67 -4.826 -8.314 0.341 291 HB2 LEU 67 HB2 LEU 67 -5.044 -10.761 1.429 292 HB3 LEU 67 HB3 LEU 67 -3.746 -11.102 0.317 293 HG LEU 67 HG LEU 67 -3.912 -9.487 2.828 294 HD11 LEU 67 HD11 LEU 67 -1.721 -11.048 1.434 295 HD12 LEU 67 HD12 LEU 67 -1.661 -10.403 3.104 296 HD13 LEU 67 HD13 LEU 67 -2.854 -11.641 2.674 297 HD21 LEU 67 HD21 LEU 67 -3.284 -7.648 1.374 298 HD22 LEU 67 HD22 LEU 67 -1.898 -8.130 2.331 299 HD23 LEU 67 HD23 LEU 67 -2.046 -8.608 0.601 300 H ALA 68 H ALA 68 -4.973 -10.795 -2.161 301 HA ALA 68 HA ALA 68 -2.535 -10.314 -3.547 302 HB1 ALA 68 HB1 ALA 68 -5.270 -11.198 -4.583 303 HB2 ALA 68 HB2 ALA 68 -3.724 -11.379 -5.441 304 HB3 ALA 68 HB3 ALA 68 -4.010 -12.262 -3.931 305 H THR 69 H THR 69 -5.685 -8.576 -3.689 306 HA THR 69 HA THR 69 -5.190 -7.062 -6.029 307 HB THR 69 HB THR 69 -6.885 -6.162 -3.655 308 HG1 THR 69 HG1 THR 69 -7.895 -7.502 -5.881 309 HG21 THR 69 HG21 THR 69 -6.879 -5.617 -6.666 310 HG22 THR 69 HG22 THR 69 -8.152 -5.060 -5.531 311 HG23 THR 69 HG23 THR 69 -6.485 -4.469 -5.380 312 H VAL 70 H VAL 70 -4.897 -5.969 -2.532 313 HA VAL 70 HA VAL 70 -3.920 -3.511 -3.358 314 HB VAL 70 HB VAL 70 -4.807 -3.961 -1.084 315 HG11 VAL 70 HG11 VAL 70 -2.139 -5.199 -0.370 316 HG12 VAL 70 HG12 VAL 70 -3.514 -4.855 0.683 317 HG13 VAL 70 HG13 VAL 70 -3.681 -6.084 -0.569 318 HG21 VAL 70 HG21 VAL 70 -3.447 -1.971 -1.615 319 HG22 VAL 70 HG22 VAL 70 -3.201 -2.478 0.077 320 HG23 VAL 70 HG23 VAL 70 -1.977 -2.844 -1.151 321 H LYS 71 H LYS 71 -2.050 -6.381 -2.518 322 HA LYS 71 HA LYS 71 0.549 -5.194 -2.695 323 HB2 LYS 71 HB2 LYS 71 -0.378 -8.054 -3.234 324 HB3 LYS 71 HB3 LYS 71 1.315 -7.539 -3.072 325 HG2 LYS 71 HG2 LYS 71 0.801 -6.685 -0.805 326 HG3 LYS 71 HG3 LYS 71 -0.827 -7.365 -0.916 327 HD2 LYS 71 HD2 LYS 71 0.175 -9.602 -1.432 328 HD3 LYS 71 HD3 LYS 71 1.782 -8.897 -1.194 329 HE2 LYS 71 HE2 LYS 71 0.768 -8.208 1.214 330 HE3 LYS 71 HE3 LYS 71 -0.358 -9.449 0.874 331 HZ1 LYS 71 HZ1 LYS 71 2.546 -9.973 0.708 332 HZ2 LYS 71 HZ2 LYS 71 1.669 -10.279 2.056 333 HZ3 LYS 71 HZ3 LYS 71 1.365 -11.097 0.666 334 H THR 72 H THR 72 -1.492 -6.669 -5.148 335 HA THR 72 HA THR 72 0.522 -6.286 -7.249 336 HB THR 72 HB THR 72 -1.247 -8.059 -7.297 337 HG1 THR 72 HG1 THR 72 -0.411 -8.125 -9.118 338 HG21 THR 72 HG21 THR 72 -2.967 -5.788 -8.388 339 HG22 THR 72 HG22 THR 72 -3.323 -7.534 -8.504 340 HG23 THR 72 HG23 THR 72 -3.237 -6.743 -6.925 341 H LEU 73 H LEU 73 -2.152 -4.193 -6.064 342 HA LEU 73 HA LEU 73 -2.106 -2.393 -8.321 343 HB2 LEU 73 HB2 LEU 73 -3.969 -3.060 -6.736 344 HB3 LEU 73 HB3 LEU 73 -3.143 -2.185 -5.458 345 HG LEU 73 HG LEU 73 -4.534 -1.107 -7.933 346 HD11 LEU 73 HD11 LEU 73 -4.892 -0.669 -4.934 347 HD12 LEU 73 HD12 LEU 73 -5.946 -0.051 -6.228 348 HD13 LEU 73 HD13 LEU 73 -5.853 -1.789 -5.915 349 HD21 LEU 73 HD21 LEU 73 -2.662 0.339 -7.741 350 HD22 LEU 73 HD22 LEU 73 -3.984 1.170 -6.899 351 HD23 LEU 73 HD23 LEU 73 -2.724 0.298 -5.967 352 H LEU 74 H LEU 74 -0.776 -2.385 -4.979 353 HA LEU 74 HA LEU 74 0.674 0.033 -4.902 354 HB2 LEU 74 HB2 LEU 74 1.300 -2.804 -4.008 355 HB3 LEU 74 HB3 LEU 74 2.418 -1.493 -3.680 356 HG LEU 74 HG LEU 74 -0.487 -1.500 -2.780 357 HD11 LEU 74 HD11 LEU 74 2.046 -1.875 -1.160 358 HD12 LEU 74 HD12 LEU 74 0.326 -2.234 -0.723 359 HD13 LEU 74 HD13 LEU 74 1.196 -3.274 -1.852 360 HD21 LEU 74 HD21 LEU 74 0.244 0.717 -2.886 361 HD22 LEU 74 HD22 LEU 74 0.603 0.248 -1.169 362 HD23 LEU 74 HD23 LEU 74 1.899 0.307 -2.424 363 H GLY 75 H GLY 75 1.614 -3.031 -6.133 364 HA2 GLY 75 HA2 GLY 75 4.189 -2.563 -7.193 365 HA3 GLY 75 HA3 GLY 75 3.041 -3.747 -7.848 366 H ARG 76 H ARG 76 1.197 -1.361 -8.385 367 HA ARG 76 HA ARG 76 2.174 -0.599 -11.096 368 HB2 ARG 76 HB2 ARG 76 -0.484 0.147 -9.846 369 HB3 ARG 76 HB3 ARG 76 -0.033 0.247 -11.533 370 HG2 ARG 76 HG2 ARG 76 -0.198 -2.420 -10.081 371 HG3 ARG 76 HG3 ARG 76 -1.610 -1.660 -10.717 372 HD2 ARG 76 HD2 ARG 76 -1.143 -2.292 -12.864 373 HD3 ARG 76 HD3 ARG 76 0.522 -1.748 -12.741 374 HE ARG 76 HE ARG 76 1.134 -3.915 -12.597 375 HH11 ARG 76 HH11 ARG 76 -2.181 -4.001 -11.343 376 HH12 ARG 76 HH12 ARG 76 -1.875 -5.551 -10.564 377 HH21 ARG 76 HH21 ARG 76 1.320 -5.923 -11.577 378 HH22 ARG 76 HH22 ARG 76 -0.044 -6.510 -10.658 379 H LEU 77 H LEU 77 1.004 0.880 -7.962 380 HA LEU 77 HA LEU 77 1.473 3.588 -8.743 381 HB2 LEU 77 HB2 LEU 77 2.115 2.587 -5.962 382 HB3 LEU 77 HB3 LEU 77 1.441 4.133 -6.448 383 HG LEU 77 HG LEU 77 0.050 1.435 -6.393 384 HD11 LEU 77 HD11 LEU 77 -0.415 3.904 -4.734 385 HD12 LEU 77 HD12 LEU 77 -1.174 2.305 -4.557 386 HD13 LEU 77 HD13 LEU 77 0.571 2.489 -4.253 387 HD21 LEU 77 HD21 LEU 77 -0.892 2.564 -8.199 388 HD22 LEU 77 HD22 LEU 77 -2.018 2.832 -6.836 389 HD23 LEU 77 HD23 LEU 77 -0.903 4.126 -7.331 390 H VAL 78 H VAL 78 3.509 1.393 -6.986 391 HA VAL 78 HA VAL 78 5.793 3.096 -6.970 392 HB VAL 78 HB VAL 78 6.757 1.866 -5.504 393 HG11 VAL 78 HG11 VAL 78 4.642 -0.279 -5.525 394 HG12 VAL 78 HG12 VAL 78 5.584 0.344 -4.175 395 HG13 VAL 78 HG13 VAL 78 4.303 1.346 -4.872 396 HG21 VAL 78 HG21 VAL 78 7.887 0.383 -7.020 397 HG22 VAL 78 HG22 VAL 78 7.336 -0.505 -5.615 398 HG23 VAL 78 HG23 VAL 78 6.432 -0.649 -7.154 399 H LYS 79 H LYS 79 4.883 0.962 -9.549 400 HA LYS 79 HA LYS 79 7.530 1.195 -10.840 401 HB2 LYS 79 HB2 LYS 79 5.070 -0.366 -11.356 402 HB3 LYS 79 HB3 LYS 79 5.640 0.490 -12.803 403 HG2 LYS 79 HG2 LYS 79 6.603 -1.577 -12.799 404 HG3 LYS 79 HG3 LYS 79 7.818 -0.332 -12.554 405 HD2 LYS 79 HD2 LYS 79 8.554 -1.923 -10.982 406 HD3 LYS 79 HD3 LYS 79 7.441 -0.972 -9.965 407 HE2 LYS 79 HE2 LYS 79 5.606 -2.556 -10.737 408 HE3 LYS 79 HE3 LYS 79 6.848 -3.574 -11.458 409 HZ1 LYS 79 HZ1 LYS 79 6.719 -2.908 -8.559 410 HZ2 LYS 79 HZ2 LYS 79 6.251 -4.321 -9.206 411 HZ3 LYS 79 HZ3 LYS 79 7.826 -3.890 -9.260 412 H LYS 80 H LYS 80 4.608 2.981 -10.837 413 HA LYS 80 HA LYS 80 5.661 4.829 -12.938 414 HB2 LYS 80 HB2 LYS 80 3.032 4.849 -11.414 415 HB3 LYS 80 HB3 LYS 80 3.618 6.241 -12.350 416 HG2 LYS 80 HG2 LYS 80 3.888 4.653 -14.338 417 HG3 LYS 80 HG3 LYS 80 2.945 3.476 -13.409 418 HD2 LYS 80 HD2 LYS 80 1.053 5.088 -13.313 419 HD3 LYS 80 HD3 LYS 80 2.032 6.292 -14.180 420 HE2 LYS 80 HE2 LYS 80 2.258 4.626 -16.086 421 HE3 LYS 80 HE3 LYS 80 1.133 3.575 -15.229 422 HZ1 LYS 80 HZ1 LYS 80 0.572 6.105 -16.610 423 HZ2 LYS 80 HZ2 LYS 80 -0.254 4.677 -16.603 424 HZ3 LYS 80 HZ3 LYS 80 -0.395 5.700 -15.334 425 H GLU 81 H GLU 81 4.293 6.601 -10.328 426 HA GLU 81 HA GLU 81 7.008 7.181 -9.243 427 HB2 GLU 81 HB2 GLU 81 6.357 8.341 -11.558 428 HB3 GLU 81 HB3 GLU 81 5.480 9.454 -10.511 429 HG2 GLU 81 HG2 GLU 81 7.582 10.028 -9.355 430 HG3 GLU 81 HG3 GLU 81 8.438 8.743 -10.227 431 H MET 82 H MET 82 3.778 6.873 -8.385 432 HA MET 82 HA MET 82 3.258 9.278 -6.941 433 HB2 MET 82 HB2 MET 82 2.039 6.454 -6.741 434 HB3 MET 82 HB3 MET 82 1.351 7.944 -6.089 435 HG2 MET 82 HG2 MET 82 0.197 7.462 -8.003 436 HG3 MET 82 HG3 MET 82 1.267 8.814 -8.422 437 HE1 MET 82 HE1 MET 82 0.722 8.592 -10.900 438 HE2 MET 82 HE2 MET 82 0.837 7.105 -11.861 439 HE3 MET 82 HE3 MET 82 -0.400 7.249 -10.589 440 H LEU 83 H LEU 83 3.755 5.992 -5.968 441 HA LEU 83 HA LEU 83 4.736 6.791 -3.248 442 HB2 LEU 83 HB2 LEU 83 3.362 4.176 -4.007 443 HB3 LEU 83 HB3 LEU 83 3.785 4.743 -2.392 444 HG LEU 83 HG LEU 83 1.496 5.598 -4.184 445 HD11 LEU 83 HD11 LEU 83 1.654 5.011 -1.193 446 HD12 LEU 83 HD12 LEU 83 0.192 5.176 -2.186 447 HD13 LEU 83 HD13 LEU 83 1.263 3.788 -2.432 448 HD21 LEU 83 HD21 LEU 83 2.228 7.722 -3.638 449 HD22 LEU 83 HD22 LEU 83 1.103 7.397 -2.329 450 HD23 LEU 83 HD23 LEU 83 2.875 7.235 -2.048 451 H SER 84 H SER 84 6.271 5.390 -2.165 452 HA SER 84 HA SER 84 7.782 3.560 -4.020 453 HB2 SER 84 HB2 SER 84 9.123 5.528 -2.168 454 HB3 SER 84 HB3 SER 84 9.888 4.273 -3.180 455 HG SER 84 HG SER 84 8.242 6.278 -4.322 456 H THR 85 H THR 85 9.449 2.256 -2.816 457 HA THR 85 HA THR 85 8.680 1.576 -0.089 458 HB THR 85 HB THR 85 7.012 0.461 -1.433 459 HG1 THR 85 HG1 THR 85 7.150 -1.050 -0.082 460 HG21 THR 85 HG21 THR 85 9.243 -1.041 -2.821 461 HG22 THR 85 HG22 THR 85 7.488 -1.171 -3.113 462 HG23 THR 85 HG23 THR 85 8.345 0.336 -3.526 463 H GLU 86 H GLU 86 10.021 0.181 0.978 464 HA GLU 86 HA GLU 86 12.637 -0.571 -0.216 465 HB2 GLU 86 HB2 GLU 86 13.861 0.427 1.617 466 HB3 GLU 86 HB3 GLU 86 12.912 1.678 0.794 467 HG2 GLU 86 HG2 GLU 86 11.190 1.505 2.621 468 HG3 GLU 86 HG3 GLU 86 12.225 0.332 3.448 469 H LYS 87 H LYS 87 13.828 -2.106 1.155 470 HA LYS 87 HA LYS 87 11.932 -3.966 2.556 471 HB2 LYS 87 HB2 LYS 87 13.656 -4.360 0.438 472 HB3 LYS 87 HB3 LYS 87 14.659 -4.899 1.750 473 HG2 LYS 87 HG2 LYS 87 11.875 -5.976 1.853 474 HG3 LYS 87 HG3 LYS 87 12.707 -6.325 0.356 475 HD2 LYS 87 HD2 LYS 87 13.028 -8.159 1.822 476 HD3 LYS 87 HD3 LYS 87 14.596 -7.352 1.602 477 HE2 LYS 87 HE2 LYS 87 14.337 -6.254 3.796 478 HE3 LYS 87 HE3 LYS 87 12.715 -6.935 3.978 479 HZ1 LYS 87 HZ1 LYS 87 15.304 -8.398 3.945 480 HZ2 LYS 87 HZ2 LYS 87 14.258 -8.307 5.188 481 HZ3 LYS 87 HZ3 LYS 87 13.863 -9.179 3.866 482 H GLU 88 H GLU 88 12.114 -4.431 4.623 483 HA GLU 88 HA GLU 88 14.670 -3.997 6.113 484 HB2 GLU 88 HB2 GLU 88 12.143 -2.570 6.459 485 HB3 GLU 88 HB3 GLU 88 12.470 -3.516 7.886 486 HG2 GLU 88 HG2 GLU 88 14.561 -1.683 6.655 487 HG3 GLU 88 HG3 GLU 88 13.348 -1.118 7.796 488 H GLY 89 H GLY 89 14.681 -5.254 8.154 489 HA2 GLY 89 HA2 GLY 89 15.265 -7.602 8.317 490 HA3 GLY 89 HA3 GLY 89 13.909 -7.255 9.379 491 H ARG 90 H ARG 90 11.717 -7.760 8.496 492 HA ARG 90 HA ARG 90 11.767 -10.318 6.925 493 HB2 ARG 90 HB2 ARG 90 10.950 -9.768 9.576 494 HB3 ARG 90 HB3 ARG 90 9.457 -9.939 8.703 495 HG2 ARG 90 HG2 ARG 90 11.733 -11.971 8.783 496 HG3 ARG 90 HG3 ARG 90 10.245 -12.022 9.729 497 HD2 ARG 90 HD2 ARG 90 8.995 -12.007 7.488 498 HD3 ARG 90 HD3 ARG 90 10.552 -12.385 6.732 499 HE ARG 90 HE ARG 90 10.518 -14.347 8.534 500 HH11 ARG 90 HH11 ARG 90 7.782 -13.337 6.542 501 HH12 ARG 90 HH12 ARG 90 6.951 -14.854 6.890 502 HH21 ARG 90 HH21 ARG 90 9.390 -16.163 8.831 503 HH22 ARG 90 HH22 ARG 90 7.808 -16.362 8.026 504 H LYS 91 H LYS 91 10.694 -7.190 6.403 505 HA LYS 91 HA LYS 91 8.574 -7.990 4.500 506 HB2 LYS 91 HB2 LYS 91 8.227 -6.570 7.121 507 HB3 LYS 91 HB3 LYS 91 7.251 -5.940 5.784 508 HG2 LYS 91 HG2 LYS 91 5.965 -7.833 5.502 509 HG3 LYS 91 HG3 LYS 91 7.210 -8.934 6.138 510 HD2 LYS 91 HD2 LYS 91 6.949 -7.938 8.373 511 HD3 LYS 91 HD3 LYS 91 5.611 -6.999 7.755 512 HE2 LYS 91 HE2 LYS 91 4.450 -9.115 7.045 513 HE3 LYS 91 HE3 LYS 91 5.830 -10.052 7.707 514 HZ1 LYS 91 HZ1 LYS 91 3.884 -8.412 9.255 515 HZ2 LYS 91 HZ2 LYS 91 4.067 -10.040 9.286 516 HZ3 LYS 91 HZ3 LYS 91 5.224 -9.129 9.928 517 H PHE 92 H PHE 92 7.448 -5.883 3.754 518 HA PHE 92 HA PHE 92 9.509 -4.052 2.589 519 HB2 PHE 92 HB2 PHE 92 6.800 -4.927 1.593 520 HB3 PHE 92 HB3 PHE 92 7.479 -3.378 1.126 521 HD1 PHE 92 HD2 PHE 92 9.811 -3.291 0.153 522 HD2 PHE 92 HD1 PHE 92 7.373 -6.834 0.340 523 HE1 PHE 92 HE2 PHE 92 11.179 -4.293 -1.647 524 HE2 PHE 92 HE1 PHE 92 8.739 -7.866 -1.507 525 HZ PHE 92 HZ PHE 92 10.640 -6.593 -2.479 526 H VAL 93 H VAL 93 9.164 -1.851 2.709 527 HA VAL 93 HA VAL 93 7.084 -0.766 4.564 528 HB VAL 93 HB VAL 93 10.020 -0.082 4.195 529 HG11 VAL 93 HG11 VAL 93 7.811 1.592 5.426 530 HG12 VAL 93 HG12 VAL 93 9.530 1.847 5.795 531 HG13 VAL 93 HG13 VAL 93 8.929 2.080 4.143 532 HG21 VAL 93 HG21 VAL 93 9.504 -1.838 5.844 533 HG22 VAL 93 HG22 VAL 93 10.055 -0.361 6.657 534 HG23 VAL 93 HG23 VAL 93 8.318 -0.766 6.621 535 H TYR 94 H TYR 94 5.671 0.438 3.460 536 HA TYR 94 HA TYR 94 6.469 1.613 0.849 537 HB2 TYR 94 HB2 TYR 94 3.772 0.881 2.040 538 HB3 TYR 94 HB3 TYR 94 3.988 1.784 0.557 539 HD1 TYR 94 HD2 TYR 94 4.676 -1.611 2.151 540 HD2 TYR 94 HD1 TYR 94 4.538 0.752 -1.481 541 HE1 TYR 94 HE2 TYR 94 4.938 -3.660 0.780 542 HE2 TYR 94 HE1 TYR 94 4.880 -1.317 -2.827 543 HH TYR 94 HH TYR 94 5.293 -3.560 -2.753 544 H ARG 95 H ARG 95 6.991 3.651 0.878 545 HA ARG 95 HA ARG 95 5.618 5.582 2.690 546 HB2 ARG 95 HB2 ARG 95 7.639 6.599 3.432 547 HB3 ARG 95 HB3 ARG 95 7.691 4.892 3.823 548 HG2 ARG 95 HG2 ARG 95 9.330 4.473 2.062 549 HG3 ARG 95 HG3 ARG 95 9.098 6.101 1.413 550 HD2 ARG 95 HD2 ARG 95 11.104 6.264 2.614 551 HD3 ARG 95 HD3 ARG 95 9.894 7.027 3.645 552 HE ARG 95 HE ARG 95 11.139 4.316 4.030 553 HH11 ARG 95 HH11 ARG 95 10.004 7.181 5.679 554 HH12 ARG 95 HH12 ARG 95 10.009 6.373 7.223 555 HH21 ARG 95 HH21 ARG 95 11.479 3.570 5.849 556 HH22 ARG 95 HH22 ARG 95 11.085 4.401 7.346 557 HA PRO 96 HA PRO 96 5.307 7.985 -0.903 558 HB2 PRO 96 HB2 PRO 96 4.974 10.539 -0.059 559 HB3 PRO 96 HB3 PRO 96 3.833 9.226 0.354 560 HG2 PRO 96 HG2 PRO 96 6.112 10.306 2.040 561 HG3 PRO 96 HG3 PRO 96 4.410 10.043 2.528 562 HD2 PRO 96 HD2 PRO 96 6.372 8.234 3.029 563 HD3 PRO 96 HD3 PRO 96 4.703 7.709 2.641 564 H LEU 97 H LEU 97 8.272 8.542 0.784 565 HA LEU 97 HA LEU 97 10.242 9.475 0.212 566 HB2 LEU 97 HB2 LEU 97 9.357 7.794 -1.859 567 HB3 LEU 97 HB3 LEU 97 10.027 9.143 -2.690 568 HG LEU 97 HG LEU 97 11.703 7.502 -2.501 569 HD11 LEU 97 HD11 LEU 97 12.392 9.478 -0.286 570 HD12 LEU 97 HD12 LEU 97 13.505 8.567 -1.325 571 HD13 LEU 97 HD13 LEU 97 12.481 9.831 -2.026 572 HD21 LEU 97 HD21 LEU 97 10.693 6.206 -0.680 573 HD22 LEU 97 HD22 LEU 97 12.424 6.485 -0.409 574 HD23 LEU 97 HD23 LEU 97 11.224 7.432 0.494 575 H MET 98 H MET 98 8.668 11.451 0.823 576 HA MET 98 HA MET 98 9.775 13.746 -0.650 577 HB2 MET 98 HB2 MET 98 6.816 13.463 0.063 578 HB3 MET 98 HB3 MET 98 7.598 14.952 -0.466 579 HG2 MET 98 HG2 MET 98 8.223 13.804 -2.617 580 HG3 MET 98 HG3 MET 98 7.279 12.413 -2.090 581 HE1 MET 98 HE1 MET 98 7.261 16.073 -3.427 582 HE2 MET 98 HE2 MET 98 5.543 16.537 -3.350 583 HE3 MET 98 HE3 MET 98 6.484 16.397 -1.851 584 H GLU 99 H GLU 99 9.025 15.838 0.855 585 HA GLU 99 HA GLU 99 9.284 15.293 3.730 586 HB2 GLU 99 HB2 GLU 99 11.462 16.368 3.918 587 HB3 GLU 99 HB3 GLU 99 11.549 14.964 2.864 588 HG2 GLU 99 HG2 GLU 99 11.283 16.658 0.894 589 HG3 GLU 99 HG3 GLU 99 11.643 17.897 2.090 Start of MODEL 4 1 H PHE 31 H1 PHE 31 -25.931 4.560 -2.758 2 HA PHE 31 HA PHE 31 -24.970 6.314 -4.917 3 HB2 PHE 31 HB2 PHE 31 -24.842 6.600 -1.946 4 HB3 PHE 31 HB3 PHE 31 -23.308 6.779 -2.762 5 HD1 PHE 31 HD2 PHE 31 -22.918 8.535 -4.477 6 HD2 PHE 31 HD1 PHE 31 -26.557 8.364 -2.144 7 HE1 PHE 31 HE2 PHE 31 -23.365 10.920 -4.990 8 HE2 PHE 31 HE1 PHE 31 -26.990 10.740 -2.669 9 HZ PHE 31 HZ PHE 31 -25.372 12.036 -4.049 10 H ASN 32 H ASN 32 -22.903 5.738 -5.743 11 HA ASN 32 HA ASN 32 -21.132 4.007 -4.215 12 HB2 ASN 32 HB2 ASN 32 -22.594 2.348 -5.394 13 HB3 ASN 32 HB3 ASN 32 -22.161 3.086 -6.940 14 HD21 ASN 32 HD22 ASN 32 -21.712 0.492 -6.856 15 HD22 ASN 32 HD21 ASN 32 -19.998 0.153 -6.670 16 H VAL 33 H VAL 33 -19.202 5.071 -4.425 17 HA VAL 33 HA VAL 33 -18.260 6.136 -6.995 18 HB VAL 33 HB VAL 33 -18.500 7.998 -4.586 19 HG11 VAL 33 HG11 VAL 33 -17.483 8.507 -7.419 20 HG12 VAL 33 HG12 VAL 33 -17.635 9.720 -6.131 21 HG13 VAL 33 HG13 VAL 33 -16.468 8.413 -5.963 22 HG21 VAL 33 HG21 VAL 33 -20.704 7.858 -5.625 23 HG22 VAL 33 HG22 VAL 33 -19.962 9.408 -6.019 24 HG23 VAL 33 HG23 VAL 33 -19.996 8.113 -7.233 25 H SER 34 H SER 34 -16.226 5.214 -7.085 26 HA SER 34 HA SER 34 -14.282 6.019 -5.115 27 HB2 SER 34 HB2 SER 34 -13.493 3.824 -4.424 28 HB3 SER 34 HB3 SER 34 -15.168 4.051 -3.934 29 HG SER 34 HG SER 34 -15.166 2.067 -4.797 30 H ASN 35 H ASN 35 -12.102 5.457 -5.690 31 HA ASN 35 HA ASN 35 -11.525 4.239 -8.317 32 HB2 ASN 35 HB2 ASN 35 -10.339 6.898 -7.369 33 HB3 ASN 35 HB3 ASN 35 -9.760 5.977 -8.739 34 HD21 ASN 35 HD22 ASN 35 -10.623 6.548 -10.805 35 HD22 ASN 35 HD21 ASN 35 -12.070 7.542 -10.911 36 H ALA 36 H ALA 36 -9.373 3.203 -8.234 37 HA ALA 36 HA ALA 36 -8.676 2.009 -5.766 38 HB1 ALA 36 HB1 ALA 36 -7.169 2.393 -8.400 39 HB2 ALA 36 HB2 ALA 36 -6.472 1.491 -7.057 40 HB3 ALA 36 HB3 ALA 36 -7.995 0.926 -7.803 41 H GLU 37 H GLU 37 -7.071 4.705 -7.444 42 HA GLU 37 HA GLU 37 -5.079 5.285 -5.538 43 HB2 GLU 37 HB2 GLU 37 -6.501 7.137 -7.505 44 HB3 GLU 37 HB3 GLU 37 -5.003 7.474 -6.647 45 HG2 GLU 37 HG2 GLU 37 -4.107 6.769 -8.594 46 HG3 GLU 37 HG3 GLU 37 -4.140 5.236 -7.748 47 H LEU 38 H LEU 38 -8.539 6.204 -5.428 48 HA LEU 38 HA LEU 38 -8.189 8.376 -3.579 49 HB2 LEU 38 HB2 LEU 38 -10.228 7.919 -5.013 50 HB3 LEU 38 HB3 LEU 38 -10.616 6.570 -3.947 51 HG LEU 38 HG LEU 38 -10.802 8.210 -2.028 52 HD11 LEU 38 HD11 LEU 38 -10.625 10.283 -4.258 53 HD12 LEU 38 HD12 LEU 38 -11.102 10.605 -2.578 54 HD13 LEU 38 HD13 LEU 38 -9.450 10.076 -2.939 55 HD21 LEU 38 HD21 LEU 38 -12.785 7.412 -3.216 56 HD22 LEU 38 HD22 LEU 38 -12.985 9.102 -2.733 57 HD23 LEU 38 HD23 LEU 38 -12.602 8.706 -4.423 58 H ILE 39 H ILE 39 -8.410 4.886 -3.068 59 HA ILE 39 HA ILE 39 -8.806 5.065 -0.166 60 HB ILE 39 HB ILE 39 -7.945 2.745 -1.931 61 HG12 ILE 39 HG12 ILE 39 -10.623 3.566 -0.706 62 HG13 ILE 39 HG13 ILE 39 -10.209 3.573 -2.420 63 HG21 ILE 39 HG21 ILE 39 -8.780 2.769 1.011 64 HG22 ILE 39 HG22 ILE 39 -8.432 1.326 0.041 65 HG23 ILE 39 HG23 ILE 39 -7.138 2.446 0.417 66 HD11 ILE 39 HD11 ILE 39 -10.573 1.137 -0.657 67 HD12 ILE 39 HD12 ILE 39 -11.573 1.659 -2.022 68 HD13 ILE 39 HD13 ILE 39 -9.919 1.081 -2.318 69 H VAL 40 H VAL 40 -6.051 4.087 -2.241 70 HA VAL 40 HA VAL 40 -4.273 3.983 0.029 71 HB VAL 40 HB VAL 40 -2.557 3.285 -1.515 72 HG11 VAL 40 HG11 VAL 40 -5.227 1.931 -2.175 73 HG12 VAL 40 HG12 VAL 40 -3.617 1.221 -2.292 74 HG13 VAL 40 HG13 VAL 40 -4.279 1.650 -0.708 75 HG21 VAL 40 HG21 VAL 40 -3.030 4.718 -3.463 76 HG22 VAL 40 HG22 VAL 40 -3.019 3.011 -3.927 77 HG23 VAL 40 HG23 VAL 40 -4.558 3.860 -3.738 78 H MET 41 H MET 41 -4.870 6.602 -2.267 79 HA MET 41 HA MET 41 -2.517 8.120 -1.413 80 HB2 MET 41 HB2 MET 41 -3.679 8.177 -3.726 81 HB3 MET 41 HB3 MET 41 -4.875 9.228 -2.951 82 HG2 MET 41 HG2 MET 41 -2.788 10.636 -2.219 83 HG3 MET 41 HG3 MET 41 -1.906 9.681 -3.399 84 HE1 MET 41 HE1 MET 41 -4.211 9.416 -5.768 85 HE2 MET 41 HE2 MET 41 -3.692 10.784 -6.773 86 HE3 MET 41 HE3 MET 41 -2.475 9.713 -6.041 87 H ARG 42 H ARG 42 -4.279 7.293 0.735 88 HA ARG 42 HA ARG 42 -4.638 9.997 1.989 89 HB2 ARG 42 HB2 ARG 42 -6.719 7.772 1.911 90 HB3 ARG 42 HB3 ARG 42 -6.635 8.924 3.250 91 HG2 ARG 42 HG2 ARG 42 -6.962 10.813 1.713 92 HG3 ARG 42 HG3 ARG 42 -7.074 9.699 0.335 93 HD2 ARG 42 HD2 ARG 42 -9.065 8.681 1.177 94 HD3 ARG 42 HD3 ARG 42 -8.825 9.372 2.787 95 HE ARG 42 HE ARG 42 -9.477 11.100 0.420 96 HH11 ARG 42 HH11 ARG 42 -10.240 10.154 3.796 97 HH12 ARG 42 HH12 ARG 42 -11.639 11.186 3.784 98 HH21 ARG 42 HH21 ARG 42 -11.365 12.411 0.660 99 HH22 ARG 42 HH22 ARG 42 -12.233 12.318 2.184 100 H VAL 43 H VAL 43 -5.094 6.592 3.017 101 HA VAL 43 HA VAL 43 -4.291 7.169 5.607 102 HB VAL 43 HB VAL 43 -4.247 4.887 6.087 103 HG11 VAL 43 HG11 VAL 43 -6.343 5.381 3.907 104 HG12 VAL 43 HG12 VAL 43 -6.487 4.238 5.230 105 HG13 VAL 43 HG13 VAL 43 -6.438 5.965 5.588 106 HG21 VAL 43 HG21 VAL 43 -2.919 3.849 4.339 107 HG22 VAL 43 HG22 VAL 43 -4.474 3.053 4.370 108 HG23 VAL 43 HG23 VAL 43 -4.138 4.254 3.103 109 H ILE 44 H ILE 44 -2.135 5.880 3.085 110 HA ILE 44 HA ILE 44 0.070 5.392 4.760 111 HB ILE 44 HB ILE 44 -0.014 6.077 1.786 112 HG12 ILE 44 HG12 ILE 44 -0.347 3.402 3.212 113 HG13 ILE 44 HG13 ILE 44 -1.632 4.268 2.410 114 HG21 ILE 44 HG21 ILE 44 2.031 4.633 3.523 115 HG22 ILE 44 HG22 ILE 44 2.101 4.691 1.741 116 HG23 ILE 44 HG23 ILE 44 2.238 6.176 2.689 117 HD11 ILE 44 HD11 ILE 44 0.735 3.063 0.981 118 HD12 ILE 44 HD12 ILE 44 -0.968 2.560 0.939 119 HD13 ILE 44 HD13 ILE 44 -0.502 4.131 0.254 120 H TRP 45 H TRP 45 -0.859 8.327 3.070 121 HA TRP 45 HA TRP 45 1.598 9.846 3.358 122 HB2 TRP 45 HB2 TRP 45 0.035 10.570 1.723 123 HB3 TRP 45 HB3 TRP 45 -1.320 10.486 2.834 124 HD1 TRP 45 HD1 TRP 45 -1.585 12.403 4.660 125 HE1 TRP 45 HE1 TRP 45 -0.791 14.816 4.775 126 HE3 TRP 45 HE3 TRP 45 1.890 12.284 0.896 127 HZ2 TRP 45 HZ2 TRP 45 1.006 16.558 3.295 128 HZ3 TRP 45 HZ3 TRP 45 3.155 14.342 0.294 129 HH2 TRP 45 HH2 TRP 45 2.725 16.472 1.486 130 H SER 46 H SER 46 -0.947 9.036 5.534 131 HA SER 46 HA SER 46 -0.682 11.307 7.391 132 HB2 SER 46 HB2 SER 46 -2.737 9.973 7.144 133 HB3 SER 46 HB3 SER 46 -1.875 8.532 7.763 134 HG SER 46 HG SER 46 -2.946 9.353 9.436 135 H LEU 47 H LEU 47 0.200 7.865 7.502 136 HA LEU 47 HA LEU 47 1.811 7.913 9.773 137 HB2 LEU 47 HB2 LEU 47 0.663 6.125 7.784 138 HB3 LEU 47 HB3 LEU 47 2.368 5.742 7.859 139 HG LEU 47 HG LEU 47 0.630 6.024 10.352 140 HD11 LEU 47 HD11 LEU 47 1.322 3.536 8.739 141 HD12 LEU 47 HD12 LEU 47 0.484 3.567 10.308 142 HD13 LEU 47 HD13 LEU 47 -0.279 4.289 8.884 143 HD21 LEU 47 HD21 LEU 47 3.065 6.299 10.593 144 HD22 LEU 47 HD22 LEU 47 2.537 4.750 11.320 145 HD23 LEU 47 HD23 LEU 47 3.336 4.798 9.712 146 H GLY 48 H GLY 48 2.794 7.633 6.376 147 HA2 GLY 48 HA2 GLY 48 4.579 8.996 5.433 148 HA3 GLY 48 HA3 GLY 48 5.420 8.962 6.984 149 H GLU 49 H GLU 49 5.312 6.193 7.548 150 HA GLU 49 HA GLU 49 6.288 4.794 5.138 151 HB2 GLU 49 HB2 GLU 49 8.231 4.069 5.988 152 HB3 GLU 49 HB3 GLU 49 8.214 5.643 6.732 153 HG2 GLU 49 HG2 GLU 49 7.480 4.608 8.876 154 HG3 GLU 49 HG3 GLU 49 7.404 3.038 8.069 155 H ALA 50 H ALA 50 4.961 3.054 4.793 156 HA ALA 50 HA ALA 50 3.565 1.920 7.204 157 HB1 ALA 50 HB1 ALA 50 2.539 2.315 4.393 158 HB2 ALA 50 HB2 ALA 50 1.658 1.549 5.749 159 HB3 ALA 50 HB3 ALA 50 2.090 3.271 5.832 160 H ARG 51 H ARG 51 3.490 -0.198 7.502 161 HA ARG 51 HA ARG 51 5.282 -1.957 5.936 162 HB2 ARG 51 HB2 ARG 51 3.605 -2.374 8.452 163 HB3 ARG 51 HB3 ARG 51 4.174 -3.741 7.513 164 HG2 ARG 51 HG2 ARG 51 5.763 -3.507 9.167 165 HG3 ARG 51 HG3 ARG 51 6.527 -2.824 7.731 166 HD2 ARG 51 HD2 ARG 51 5.880 -0.531 8.587 167 HD3 ARG 51 HD3 ARG 51 5.271 -1.304 10.067 168 HE ARG 51 HE ARG 51 7.763 -2.309 10.031 169 HH11 ARG 51 HH11 ARG 51 6.857 1.094 9.568 170 HH12 ARG 51 HH12 ARG 51 8.549 1.535 9.508 171 HH21 ARG 51 HH21 ARG 51 9.730 -1.614 10.174 172 HH22 ARG 51 HH22 ARG 51 10.129 0.111 10.132 173 H VAL 52 H VAL 52 4.520 -3.848 4.798 174 HA VAL 52 HA VAL 52 2.314 -3.278 3.216 175 HB VAL 52 HB VAL 52 3.176 -4.735 1.926 176 HG11 VAL 52 HG11 VAL 52 4.702 -5.876 4.280 177 HG12 VAL 52 HG12 VAL 52 5.080 -6.157 2.554 178 HG13 VAL 52 HG13 VAL 52 5.211 -4.520 3.228 179 HG21 VAL 52 HG21 VAL 52 1.460 -6.261 2.432 180 HG22 VAL 52 HG22 VAL 52 2.962 -7.160 2.240 181 HG23 VAL 52 HG23 VAL 52 2.317 -6.865 3.899 182 H ASP 53 H ASP 53 2.291 -5.267 6.071 183 HA ASP 53 HA ASP 53 -0.527 -6.029 5.833 184 HB2 ASP 53 HB2 ASP 53 0.871 -7.478 6.954 185 HB3 ASP 53 HB3 ASP 53 1.725 -6.238 7.792 186 H GLU 54 H GLU 54 1.076 -3.102 6.716 187 HA GLU 54 HA GLU 54 -1.056 -2.086 8.484 188 HB2 GLU 54 HB2 GLU 54 1.537 -1.644 8.533 189 HB3 GLU 54 HB3 GLU 54 1.204 -0.466 7.277 190 HG2 GLU 54 HG2 GLU 54 -0.059 -0.622 10.037 191 HG3 GLU 54 HG3 GLU 54 1.310 0.418 9.628 192 H ILE 55 H ILE 55 0.302 -1.346 5.231 193 HA ILE 55 HA ILE 55 -1.660 0.599 4.465 194 HB ILE 55 HB ILE 55 -1.087 0.011 2.111 195 HG12 ILE 55 HG12 ILE 55 0.366 -2.226 3.515 196 HG13 ILE 55 HG13 ILE 55 -0.787 -2.375 2.163 197 HG21 ILE 55 HG21 ILE 55 1.396 0.079 3.836 198 HG22 ILE 55 HG22 ILE 55 1.162 0.772 2.195 199 HG23 ILE 55 HG23 ILE 55 0.332 1.464 3.632 200 HD11 ILE 55 HD11 ILE 55 2.082 -1.460 2.200 201 HD12 ILE 55 HD12 ILE 55 1.361 -2.855 1.354 202 HD13 ILE 55 HD13 ILE 55 0.981 -1.158 0.822 203 H TYR 56 H TYR 56 -1.689 -2.914 4.240 204 HA TYR 56 HA TYR 56 -4.244 -3.290 2.999 205 HB2 TYR 56 HB2 TYR 56 -2.399 -4.888 3.024 206 HB3 TYR 56 HB3 TYR 56 -2.306 -4.859 4.759 207 HD1 TYR 56 HD2 TYR 56 -5.048 -5.449 2.279 208 HD2 TYR 56 HD1 TYR 56 -2.866 -6.845 5.689 209 HE1 TYR 56 HE2 TYR 56 -6.782 -7.242 2.636 210 HE2 TYR 56 HE1 TYR 56 -4.619 -8.600 6.114 211 HH TYR 56 HH TYR 56 -6.648 -9.438 5.411 212 H ALA 57 H ALA 57 -3.176 -2.968 6.385 213 HA ALA 57 HA ALA 57 -5.572 -4.003 7.583 214 HB1 ALA 57 HB1 ALA 57 -3.715 -1.866 8.674 215 HB2 ALA 57 HB2 ALA 57 -4.870 -2.825 9.604 216 HB3 ALA 57 HB3 ALA 57 -3.468 -3.632 8.846 217 H GLN 58 H GLN 58 -4.961 -0.948 6.016 218 HA GLN 58 HA GLN 58 -7.299 0.342 7.189 219 HB2 GLN 58 HB2 GLN 58 -4.832 1.004 5.646 220 HB3 GLN 58 HB3 GLN 58 -6.258 1.880 5.103 221 HG2 GLN 58 HG2 GLN 58 -5.215 3.158 6.704 222 HG3 GLN 58 HG3 GLN 58 -6.731 2.603 7.391 223 HE21 GLN 58 HE22 GLN 58 -3.410 1.040 7.281 224 HE22 GLN 58 HE21 GLN 58 -3.096 1.368 8.946 225 H ILE 59 H ILE 59 -6.924 -1.851 4.696 226 HA ILE 59 HA ILE 59 -8.899 -0.714 2.831 227 HB ILE 59 HB ILE 59 -6.862 -2.915 2.565 228 HG12 ILE 59 HG12 ILE 59 -6.981 -0.024 1.573 229 HG13 ILE 59 HG13 ILE 59 -5.961 -0.612 2.871 230 HG21 ILE 59 HG21 ILE 59 -8.608 -1.622 0.432 231 HG22 ILE 59 HG22 ILE 59 -7.353 -2.875 0.198 232 HG23 ILE 59 HG23 ILE 59 -8.821 -3.266 1.071 233 HD11 ILE 59 HD11 ILE 59 -5.735 -1.322 -0.044 234 HD12 ILE 59 HD12 ILE 59 -4.598 -0.409 0.972 235 HD13 ILE 59 HD13 ILE 59 -4.862 -2.142 1.286 236 HA PRO 60 HA PRO 60 -11.585 -3.884 4.765 237 HB2 PRO 60 HB2 PRO 60 -14.029 -2.786 4.231 238 HB3 PRO 60 HB3 PRO 60 -12.938 -2.160 5.505 239 HG2 PRO 60 HG2 PRO 60 -13.264 -1.133 2.666 240 HG3 PRO 60 HG3 PRO 60 -13.279 -0.190 4.193 241 HD2 PRO 60 HD2 PRO 60 -11.040 -0.433 2.652 242 HD3 PRO 60 HD3 PRO 60 -10.944 -0.384 4.441 243 H GLN 61 H GLN 61 -12.724 -5.600 4.032 244 HA GLN 61 HA GLN 61 -12.404 -6.261 1.275 245 HB2 GLN 61 HB2 GLN 61 -13.077 -8.541 1.934 246 HB3 GLN 61 HB3 GLN 61 -11.629 -7.828 2.606 247 HG2 GLN 61 HG2 GLN 61 -12.731 -9.035 4.314 248 HG3 GLN 61 HG3 GLN 61 -12.726 -7.308 4.676 249 HE21 GLN 61 HE22 GLN 61 -15.068 -8.642 2.358 250 HE22 GLN 61 HE21 GLN 61 -16.430 -8.481 3.452 251 H GLU 62 H GLU 62 -14.870 -4.497 2.269 252 HA GLU 62 HA GLU 62 -17.233 -5.894 1.616 253 HB2 GLU 62 HB2 GLU 62 -16.799 -2.886 1.592 254 HB3 GLU 62 HB3 GLU 62 -18.351 -3.720 1.658 255 HG2 GLU 62 HG2 GLU 62 -17.429 -4.894 3.775 256 HG3 GLU 62 HG3 GLU 62 -16.200 -3.635 3.770 257 H LEU 63 H LEU 63 -14.992 -4.793 -0.731 258 HA LEU 63 HA LEU 63 -17.028 -4.410 -2.864 259 HB2 LEU 63 HB2 LEU 63 -13.982 -4.375 -2.914 260 HB3 LEU 63 HB3 LEU 63 -15.041 -3.929 -4.246 261 HG LEU 63 HG LEU 63 -14.772 -2.472 -1.566 262 HD11 LEU 63 HD11 LEU 63 -13.882 -1.727 -4.379 263 HD12 LEU 63 HD12 LEU 63 -13.738 -0.702 -2.925 264 HD13 LEU 63 HD13 LEU 63 -12.829 -2.212 -3.028 265 HD21 LEU 63 HD21 LEU 63 -17.025 -2.251 -2.378 266 HD22 LEU 63 HD22 LEU 63 -16.180 -0.734 -2.732 267 HD23 LEU 63 HD23 LEU 63 -16.461 -1.927 -4.035 268 H GLU 64 H GLU 64 -14.547 -6.527 -1.870 269 HA GLU 64 HA GLU 64 -14.741 -9.015 -2.456 270 HB2 GLU 64 HB2 GLU 64 -14.112 -9.612 -4.711 271 HB3 GLU 64 HB3 GLU 64 -15.662 -8.788 -4.669 272 HG2 GLU 64 HG2 GLU 64 -14.825 -6.864 -5.728 273 HG3 GLU 64 HG3 GLU 64 -13.205 -7.126 -5.166 274 H TRP 65 H TRP 65 -12.762 -6.347 -2.117 275 HA TRP 65 HA TRP 65 -10.291 -7.329 -3.159 276 HB2 TRP 65 HB2 TRP 65 -10.892 -5.123 -1.159 277 HB3 TRP 65 HB3 TRP 65 -9.275 -5.496 -1.753 278 HD1 TRP 65 HD1 TRP 65 -12.057 -5.472 -4.350 279 HE1 TRP 65 HE1 TRP 65 -11.777 -3.466 -5.896 280 HE3 TRP 65 HE3 TRP 65 -8.316 -2.961 -1.827 281 HZ2 TRP 65 HZ2 TRP 65 -10.165 -1.102 -6.057 282 HZ3 TRP 65 HZ3 TRP 65 -7.504 -0.811 -2.684 283 HH2 TRP 65 HH2 TRP 65 -8.371 0.116 -4.802 284 H SER 66 H SER 66 -8.442 -7.996 -2.185 285 HA SER 66 HA SER 66 -8.447 -8.831 0.666 286 HB2 SER 66 HB2 SER 66 -9.093 -10.796 -0.754 287 HB3 SER 66 HB3 SER 66 -7.564 -10.641 -1.615 288 HG SER 66 HG SER 66 -7.570 -12.147 0.266 289 H LEU 67 H LEU 67 -6.020 -9.584 1.148 290 HA LEU 67 HA LEU 67 -4.242 -7.591 0.978 291 HB2 LEU 67 HB2 LEU 67 -4.287 -10.192 1.924 292 HB3 LEU 67 HB3 LEU 67 -2.983 -10.248 0.756 293 HG LEU 67 HG LEU 67 -3.280 -8.717 3.317 294 HD11 LEU 67 HD11 LEU 67 -1.050 -10.324 2.083 295 HD12 LEU 67 HD12 LEU 67 -1.070 -9.637 3.736 296 HD13 LEU 67 HD13 LEU 67 -2.235 -10.893 3.278 297 HD21 LEU 67 HD21 LEU 67 -2.611 -6.915 1.874 298 HD22 LEU 67 HD22 LEU 67 -1.202 -7.419 2.786 299 HD23 LEU 67 HD23 LEU 67 -1.432 -7.937 1.069 300 H ALA 68 H ALA 68 -4.542 -10.205 -1.403 301 HA ALA 68 HA ALA 68 -2.289 -9.635 -3.002 302 HB1 ALA 68 HB1 ALA 68 -4.977 -10.841 -3.799 303 HB2 ALA 68 HB2 ALA 68 -3.468 -10.958 -4.725 304 HB3 ALA 68 HB3 ALA 68 -3.584 -11.725 -3.127 305 H THR 69 H THR 69 -5.533 -8.062 -3.047 306 HA THR 69 HA THR 69 -5.141 -6.678 -5.510 307 HB THR 69 HB THR 69 -6.838 -5.692 -3.186 308 HG1 THR 69 HG1 THR 69 -8.334 -6.799 -4.903 309 HG21 THR 69 HG21 THR 69 -6.767 -5.313 -6.210 310 HG22 THR 69 HG22 THR 69 -8.123 -4.758 -5.179 311 HG23 THR 69 HG23 THR 69 -6.489 -4.084 -4.975 312 H VAL 70 H VAL 70 -4.501 -5.613 -2.050 313 HA VAL 70 HA VAL 70 -3.485 -3.102 -3.000 314 HB VAL 70 HB VAL 70 -4.310 -3.401 -0.697 315 HG11 VAL 70 HG11 VAL 70 -1.779 -4.969 -0.170 316 HG12 VAL 70 HG12 VAL 70 -2.830 -4.224 1.041 317 HG13 VAL 70 HG13 VAL 70 -3.482 -5.499 0.026 318 HG21 VAL 70 HG21 VAL 70 -2.762 -1.593 -1.423 319 HG22 VAL 70 HG22 VAL 70 -2.567 -2.008 0.301 320 HG23 VAL 70 HG23 VAL 70 -1.399 -2.613 -0.896 321 H LYS 71 H LYS 71 -1.945 -6.182 -2.207 322 HA LYS 71 HA LYS 71 0.757 -5.530 -2.565 323 HB2 LYS 71 HB2 LYS 71 -0.693 -8.066 -3.447 324 HB3 LYS 71 HB3 LYS 71 1.042 -7.903 -3.230 325 HG2 LYS 71 HG2 LYS 71 -0.436 -7.094 -0.805 326 HG3 LYS 71 HG3 LYS 71 -0.797 -8.769 -1.322 327 HD2 LYS 71 HD2 LYS 71 1.510 -9.263 -1.501 328 HD3 LYS 71 HD3 LYS 71 1.929 -7.583 -1.053 329 HE2 LYS 71 HE2 LYS 71 0.774 -7.901 1.164 330 HE3 LYS 71 HE3 LYS 71 0.320 -9.503 0.724 331 HZ1 LYS 71 HZ1 LYS 71 3.165 -8.789 1.001 332 HZ2 LYS 71 HZ2 LYS 71 2.329 -9.626 2.119 333 HZ3 LYS 71 HZ3 LYS 71 2.593 -10.274 0.632 334 H THR 72 H THR 72 -1.503 -6.542 -5.076 335 HA THR 72 HA THR 72 0.378 -5.966 -7.240 336 HB THR 72 HB THR 72 -1.380 -7.672 -7.406 337 HG1 THR 72 HG1 THR 72 -1.338 -7.465 -9.483 338 HG21 THR 72 HG21 THR 72 -3.245 -5.342 -8.014 339 HG22 THR 72 HG22 THR 72 -3.615 -7.084 -8.119 340 HG23 THR 72 HG23 THR 72 -3.291 -6.346 -6.551 341 H LEU 73 H LEU 73 -2.250 -3.922 -5.818 342 HA LEU 73 HA LEU 73 -2.231 -1.972 -7.903 343 HB2 LEU 73 HB2 LEU 73 -4.018 -2.633 -6.343 344 HB3 LEU 73 HB3 LEU 73 -3.113 -1.988 -4.975 345 HG LEU 73 HG LEU 73 -4.441 -0.441 -7.272 346 HD11 LEU 73 HD11 LEU 73 -5.074 -0.851 -4.292 347 HD12 LEU 73 HD12 LEU 73 -5.904 0.302 -5.328 348 HD13 LEU 73 HD13 LEU 73 -6.024 -1.429 -5.681 349 HD21 LEU 73 HD21 LEU 73 -2.541 0.830 -6.525 350 HD22 LEU 73 HD22 LEU 73 -3.991 1.522 -5.766 351 HD23 LEU 73 HD23 LEU 73 -2.858 0.458 -4.833 352 H LEU 74 H LEU 74 -0.476 -2.246 -4.768 353 HA LEU 74 HA LEU 74 0.941 0.234 -4.772 354 HB2 LEU 74 HB2 LEU 74 1.717 -2.614 -4.034 355 HB3 LEU 74 HB3 LEU 74 2.806 -1.244 -3.747 356 HG LEU 74 HG LEU 74 0.024 -1.504 -2.574 357 HD11 LEU 74 HD11 LEU 74 2.390 -2.880 -1.925 358 HD12 LEU 74 HD12 LEU 74 2.364 -1.507 -0.812 359 HD13 LEU 74 HD13 LEU 74 0.977 -2.650 -0.884 360 HD21 LEU 74 HD21 LEU 74 0.526 0.758 -2.825 361 HD22 LEU 74 HD22 LEU 74 0.934 0.372 -1.108 362 HD23 LEU 74 HD23 LEU 74 2.208 0.526 -2.374 363 H GLY 75 H GLY 75 1.707 -2.731 -6.203 364 HA2 GLY 75 HA2 GLY 75 4.193 -2.205 -7.548 365 HA3 GLY 75 HA3 GLY 75 2.970 -3.385 -8.104 366 H ARG 76 H ARG 76 0.967 -1.152 -8.332 367 HA ARG 76 HA ARG 76 1.624 -0.345 -11.162 368 HB2 ARG 76 HB2 ARG 76 -0.877 0.262 -9.506 369 HB3 ARG 76 HB3 ARG 76 -0.651 0.636 -11.197 370 HG2 ARG 76 HG2 ARG 76 -0.452 -2.245 -10.350 371 HG3 ARG 76 HG3 ARG 76 -2.010 -1.516 -10.373 372 HD2 ARG 76 HD2 ARG 76 -0.163 -1.354 -12.784 373 HD3 ARG 76 HD3 ARG 76 -1.149 -2.793 -12.463 374 HE ARG 76 HE ARG 76 -2.836 -0.462 -12.435 375 HH11 ARG 76 HH11 ARG 76 -1.214 -2.626 -14.686 376 HH12 ARG 76 HH12 ARG 76 -2.411 -2.374 -15.921 377 HH21 ARG 76 HH21 ARG 76 -4.375 -0.223 -14.099 378 HH22 ARG 76 HH22 ARG 76 -4.143 -1.042 -15.592 379 H LEU 77 H LEU 77 0.990 1.149 -7.864 380 HA LEU 77 HA LEU 77 1.471 3.847 -8.727 381 HB2 LEU 77 HB2 LEU 77 2.350 2.720 -6.000 382 HB3 LEU 77 HB3 LEU 77 1.786 4.371 -6.440 383 HG LEU 77 HG LEU 77 0.186 1.769 -6.176 384 HD11 LEU 77 HD11 LEU 77 0.219 4.324 -4.589 385 HD12 LEU 77 HD12 LEU 77 -0.728 2.859 -4.265 386 HD13 LEU 77 HD13 LEU 77 1.046 2.795 -4.187 387 HD21 LEU 77 HD21 LEU 77 -0.800 2.950 -7.969 388 HD22 LEU 77 HD22 LEU 77 -1.795 3.305 -6.541 389 HD23 LEU 77 HD23 LEU 77 -0.624 4.521 -7.151 390 H VAL 78 H VAL 78 3.595 1.496 -7.191 391 HA VAL 78 HA VAL 78 5.945 3.233 -7.340 392 HB VAL 78 HB VAL 78 6.792 2.065 -5.821 393 HG11 VAL 78 HG11 VAL 78 4.811 -0.254 -6.022 394 HG12 VAL 78 HG12 VAL 78 5.844 0.205 -4.630 395 HG13 VAL 78 HG13 VAL 78 4.518 1.229 -5.139 396 HG21 VAL 78 HG21 VAL 78 8.038 0.722 -7.486 397 HG22 VAL 78 HG22 VAL 78 7.787 -0.081 -5.976 398 HG23 VAL 78 HG23 VAL 78 6.762 -0.536 -7.389 399 H LYS 79 H LYS 79 4.809 0.735 -9.683 400 HA LYS 79 HA LYS 79 7.222 1.377 -11.366 401 HB2 LYS 79 HB2 LYS 79 4.697 -0.276 -11.987 402 HB3 LYS 79 HB3 LYS 79 6.028 -0.041 -13.071 403 HG2 LYS 79 HG2 LYS 79 6.104 -1.531 -10.463 404 HG3 LYS 79 HG3 LYS 79 6.384 -2.141 -12.081 405 HD2 LYS 79 HD2 LYS 79 8.143 -0.254 -10.449 406 HD3 LYS 79 HD3 LYS 79 8.492 -1.970 -10.843 407 HE2 LYS 79 HE2 LYS 79 8.475 -1.386 -13.281 408 HE3 LYS 79 HE3 LYS 79 8.213 0.299 -12.861 409 HZ1 LYS 79 HZ1 LYS 79 10.640 -1.219 -12.117 410 HZ2 LYS 79 HZ2 LYS 79 10.519 -0.023 -13.264 411 HZ3 LYS 79 HZ3 LYS 79 10.356 0.335 -11.708 412 H LYS 80 H LYS 80 4.313 2.951 -10.886 413 HA LYS 80 HA LYS 80 4.782 4.581 -13.311 414 HB2 LYS 80 HB2 LYS 80 2.323 4.334 -11.564 415 HB3 LYS 80 HB3 LYS 80 2.478 5.598 -12.801 416 HG2 LYS 80 HG2 LYS 80 2.789 2.644 -13.515 417 HG3 LYS 80 HG3 LYS 80 1.236 3.472 -13.536 418 HD2 LYS 80 HD2 LYS 80 1.853 4.929 -15.287 419 HD3 LYS 80 HD3 LYS 80 3.570 4.638 -15.079 420 HE2 LYS 80 HE2 LYS 80 3.371 2.349 -15.886 421 HE3 LYS 80 HE3 LYS 80 1.608 2.536 -16.057 422 HZ1 LYS 80 HZ1 LYS 80 3.533 4.276 -17.502 423 HZ2 LYS 80 HZ2 LYS 80 2.956 2.916 -18.165 424 HZ3 LYS 80 HZ3 LYS 80 1.923 4.128 -17.763 425 H GLU 81 H GLU 81 6.248 4.629 -10.686 426 HA GLU 81 HA GLU 81 7.478 6.192 -9.604 427 HB2 GLU 81 HB2 GLU 81 6.839 8.089 -11.865 428 HB3 GLU 81 HB3 GLU 81 8.304 8.002 -10.889 429 HG2 GLU 81 HG2 GLU 81 7.950 5.441 -12.250 430 HG3 GLU 81 HG3 GLU 81 7.695 6.725 -13.402 431 H MET 82 H MET 82 4.560 6.176 -8.841 432 HA MET 82 HA MET 82 4.128 8.977 -7.965 433 HB2 MET 82 HB2 MET 82 2.648 6.431 -7.161 434 HB3 MET 82 HB3 MET 82 2.117 8.093 -6.956 435 HG2 MET 82 HG2 MET 82 2.009 8.315 -9.452 436 HG3 MET 82 HG3 MET 82 2.518 6.633 -9.590 437 HE1 MET 82 HE1 MET 82 -0.379 9.103 -9.020 438 HE2 MET 82 HE2 MET 82 -1.630 8.127 -8.215 439 HE3 MET 82 HE3 MET 82 -0.158 8.590 -7.325 440 H LEU 83 H LEU 83 4.874 5.794 -6.528 441 HA LEU 83 HA LEU 83 5.743 7.062 -3.959 442 HB2 LEU 83 HB2 LEU 83 4.376 4.346 -4.280 443 HB3 LEU 83 HB3 LEU 83 4.893 5.099 -2.788 444 HG LEU 83 HG LEU 83 2.458 5.653 -4.443 445 HD11 LEU 83 HD11 LEU 83 2.946 5.476 -1.435 446 HD12 LEU 83 HD12 LEU 83 1.377 5.504 -2.266 447 HD13 LEU 83 HD13 LEU 83 2.454 4.112 -2.465 448 HD21 LEU 83 HD21 LEU 83 3.181 7.862 -4.305 449 HD22 LEU 83 HD22 LEU 83 2.107 7.695 -2.919 450 HD23 LEU 83 HD23 LEU 83 3.883 7.646 -2.674 451 H SER 84 H SER 84 7.108 5.594 -2.615 452 HA SER 84 HA SER 84 8.737 3.654 -4.234 453 HB2 SER 84 HB2 SER 84 9.804 5.638 -2.174 454 HB3 SER 84 HB3 SER 84 10.676 4.269 -2.853 455 HG SER 84 HG SER 84 9.800 6.516 -4.264 456 H THR 85 H THR 85 9.959 2.163 -2.906 457 HA THR 85 HA THR 85 8.915 1.633 -0.210 458 HB THR 85 HB THR 85 7.331 0.669 -1.712 459 HG1 THR 85 HG1 THR 85 7.164 -1.248 -0.839 460 HG21 THR 85 HG21 THR 85 9.433 -1.169 -2.855 461 HG22 THR 85 HG22 THR 85 7.734 -0.905 -3.396 462 HG23 THR 85 HG23 THR 85 8.939 0.362 -3.636 463 H GLU 86 H GLU 86 10.073 0.210 1.005 464 HA GLU 86 HA GLU 86 12.867 -0.567 0.217 465 HB2 GLU 86 HB2 GLU 86 11.894 0.579 2.868 466 HB3 GLU 86 HB3 GLU 86 13.543 0.076 2.530 467 HG2 GLU 86 HG2 GLU 86 12.221 2.350 0.996 468 HG3 GLU 86 HG3 GLU 86 12.933 2.549 2.590 469 H LYS 87 H LYS 87 13.751 -2.216 1.908 470 HA LYS 87 HA LYS 87 11.714 -4.284 2.388 471 HB2 LYS 87 HB2 LYS 87 13.931 -4.418 1.058 472 HB3 LYS 87 HB3 LYS 87 14.732 -4.518 2.634 473 HG2 LYS 87 HG2 LYS 87 13.430 -6.558 3.170 474 HG3 LYS 87 HG3 LYS 87 12.478 -6.335 1.682 475 HD2 LYS 87 HD2 LYS 87 14.805 -6.409 0.459 476 HD3 LYS 87 HD3 LYS 87 15.397 -7.161 1.950 477 HE2 LYS 87 HE2 LYS 87 12.887 -8.028 0.483 478 HE3 LYS 87 HE3 LYS 87 14.476 -8.660 0.017 479 HZ1 LYS 87 HZ1 LYS 87 13.263 -8.976 2.715 480 HZ2 LYS 87 HZ2 LYS 87 13.369 -10.154 1.549 481 HZ3 LYS 87 HZ3 LYS 87 14.709 -9.616 2.236 482 H GLU 88 H GLU 88 11.217 -5.217 4.338 483 HA GLU 88 HA GLU 88 12.934 -4.797 6.688 484 HB2 GLU 88 HB2 GLU 88 10.792 -3.321 6.542 485 HB3 GLU 88 HB3 GLU 88 9.910 -4.787 6.967 486 HG2 GLU 88 HG2 GLU 88 12.185 -4.455 8.660 487 HG3 GLU 88 HG3 GLU 88 11.382 -2.894 8.552 488 H GLY 89 H GLY 89 11.838 -6.397 8.581 489 HA2 GLY 89 HA2 GLY 89 12.635 -9.013 7.890 490 HA3 GLY 89 HA3 GLY 89 11.722 -8.563 9.322 491 H ARG 90 H ARG 90 11.662 -10.352 6.508 492 HA ARG 90 HA ARG 90 10.205 -11.138 4.986 493 HB2 ARG 90 HB2 ARG 90 9.669 -12.424 7.224 494 HB3 ARG 90 HB3 ARG 90 8.116 -11.584 7.113 495 HG2 ARG 90 HG2 ARG 90 7.985 -12.522 4.686 496 HG3 ARG 90 HG3 ARG 90 9.393 -13.493 5.099 497 HD2 ARG 90 HD2 ARG 90 8.060 -14.560 6.933 498 HD3 ARG 90 HD3 ARG 90 6.659 -13.586 6.452 499 HE ARG 90 HE ARG 90 7.964 -15.328 4.390 500 HH11 ARG 90 HH11 ARG 90 4.992 -14.981 6.403 501 HH12 ARG 90 HH12 ARG 90 4.179 -16.118 5.384 502 HH21 ARG 90 HH21 ARG 90 6.880 -16.898 3.428 503 HH22 ARG 90 HH22 ARG 90 5.189 -17.169 3.822 504 H LYS 91 H LYS 91 9.998 -8.215 5.463 505 HA LYS 91 HA LYS 91 7.330 -7.682 4.311 506 HB2 LYS 91 HB2 LYS 91 8.561 -6.935 6.904 507 HB3 LYS 91 HB3 LYS 91 8.092 -5.505 6.037 508 HG2 LYS 91 HG2 LYS 91 5.920 -5.811 6.324 509 HG3 LYS 91 HG3 LYS 91 6.005 -7.518 5.845 510 HD2 LYS 91 HD2 LYS 91 5.171 -7.236 8.084 511 HD3 LYS 91 HD3 LYS 91 6.648 -8.231 7.936 512 HE2 LYS 91 HE2 LYS 91 7.421 -5.502 8.504 513 HE3 LYS 91 HE3 LYS 91 6.162 -5.949 9.665 514 HZ1 LYS 91 HZ1 LYS 91 8.527 -7.668 9.145 515 HZ2 LYS 91 HZ2 LYS 91 8.559 -6.520 10.284 516 HZ3 LYS 91 HZ3 LYS 91 7.484 -7.783 10.390 517 H PHE 92 H PHE 92 7.092 -5.372 4.094 518 HA PHE 92 HA PHE 92 9.303 -4.036 2.627 519 HB2 PHE 92 HB2 PHE 92 6.534 -4.484 1.500 520 HB3 PHE 92 HB3 PHE 92 7.497 -3.084 1.053 521 HD1 PHE 92 HD1 PHE 92 7.280 -6.747 0.931 522 HD2 PHE 92 HD2 PHE 92 9.533 -3.263 -0.190 523 HE1 PHE 92 HE1 PHE 92 8.698 -8.145 -0.596 524 HE2 PHE 92 HE2 PHE 92 10.943 -4.610 -1.683 525 HZ PHE 92 HZ PHE 92 10.541 -7.078 -1.898 526 H VAL 93 H VAL 93 8.938 -1.759 2.483 527 HA VAL 93 HA VAL 93 7.062 -0.501 4.445 528 HB VAL 93 HB VAL 93 10.021 0.133 4.108 529 HG11 VAL 93 HG11 VAL 93 7.838 1.510 5.750 530 HG12 VAL 93 HG12 VAL 93 9.577 1.846 5.860 531 HG13 VAL 93 HG13 VAL 93 8.710 2.193 4.351 532 HG21 VAL 93 HG21 VAL 93 9.686 -1.840 5.472 533 HG22 VAL 93 HG22 VAL 93 10.147 -0.480 6.508 534 HG23 VAL 93 HG23 VAL 93 8.447 -1.008 6.455 535 H TYR 94 H TYR 94 5.761 0.596 3.219 536 HA TYR 94 HA TYR 94 6.632 1.711 0.599 537 HB2 TYR 94 HB2 TYR 94 3.929 1.107 1.860 538 HB3 TYR 94 HB3 TYR 94 4.123 1.967 0.345 539 HD1 TYR 94 HD2 TYR 94 4.983 0.892 -1.660 540 HD2 TYR 94 HD1 TYR 94 4.442 -1.367 1.974 541 HE1 TYR 94 HE2 TYR 94 5.292 -1.240 -2.923 542 HE2 TYR 94 HE1 TYR 94 4.644 -3.501 0.680 543 HH TYR 94 HH TYR 94 5.169 -4.443 -1.456 544 H ARG 95 H ARG 95 7.467 3.677 0.757 545 HA ARG 95 HA ARG 95 5.995 5.769 2.288 546 HB2 ARG 95 HB2 ARG 95 7.929 6.811 3.046 547 HB3 ARG 95 HB3 ARG 95 8.065 5.111 3.450 548 HG2 ARG 95 HG2 ARG 95 9.719 4.889 1.532 549 HG3 ARG 95 HG3 ARG 95 9.573 6.645 1.287 550 HD2 ARG 95 HD2 ARG 95 10.032 6.772 3.888 551 HD3 ARG 95 HD3 ARG 95 10.677 5.157 3.694 552 HE ARG 95 HE ARG 95 11.952 7.642 3.084 553 HH11 ARG 95 HH11 ARG 95 11.819 4.508 1.598 554 HH12 ARG 95 HH12 ARG 95 13.539 4.501 1.254 555 HH21 ARG 95 HH21 ARG 95 14.203 7.427 2.858 556 HH22 ARG 95 HH22 ARG 95 14.783 6.087 1.926 557 HA PRO 96 HA PRO 96 6.123 8.231 -1.488 558 HB2 PRO 96 HB2 PRO 96 5.597 10.714 -0.537 559 HB3 PRO 96 HB3 PRO 96 4.361 9.418 -0.495 560 HG2 PRO 96 HG2 PRO 96 6.195 10.321 1.745 561 HG3 PRO 96 HG3 PRO 96 4.424 10.045 1.809 562 HD2 PRO 96 HD2 PRO 96 6.322 8.204 2.561 563 HD3 PRO 96 HD3 PRO 96 4.715 7.723 1.944 564 H LEU 97 H LEU 97 7.346 10.460 -2.100 565 HA LEU 97 HA LEU 97 10.165 9.941 -1.374 566 HB2 LEU 97 HB2 LEU 97 8.737 11.340 -3.640 567 HB3 LEU 97 HB3 LEU 97 10.424 11.631 -3.365 568 HG LEU 97 HG LEU 97 10.083 10.008 -5.088 569 HD11 LEU 97 HD11 LEU 97 11.439 8.754 -2.665 570 HD12 LEU 97 HD12 LEU 97 11.742 8.396 -4.378 571 HD13 LEU 97 HD13 LEU 97 12.140 9.996 -3.728 572 HD21 LEU 97 HD21 LEU 97 8.063 8.888 -4.001 573 HD22 LEU 97 HD22 LEU 97 9.224 7.879 -4.861 574 HD23 LEU 97 HD23 LEU 97 9.243 7.915 -3.067 575 H MET 98 H MET 98 11.439 12.319 -1.727 576 HA MET 98 HA MET 98 10.511 14.120 0.425 577 HB2 MET 98 HB2 MET 98 12.470 13.716 1.796 578 HB3 MET 98 HB3 MET 98 11.643 12.183 1.535 579 HG2 MET 98 HG2 MET 98 13.275 11.686 -0.325 580 HG3 MET 98 HG3 MET 98 14.141 13.165 0.097 581 HE1 MET 98 HE1 MET 98 16.408 11.862 0.318 582 HE2 MET 98 HE2 MET 98 16.571 10.339 1.224 583 HE3 MET 98 HE3 MET 98 15.520 10.411 -0.208 584 H GLU 99 H GLU 99 12.149 15.866 0.819 585 HA GLU 99 HA GLU 99 13.234 17.721 0.079 586 HB2 GLU 99 HB2 GLU 99 14.870 15.682 0.557 587 HB3 GLU 99 HB3 GLU 99 15.271 15.867 -1.130 588 HG2 GLU 99 HG2 GLU 99 16.715 17.505 -0.575 589 HG3 GLU 99 HG3 GLU 99 15.392 18.500 -0.004 Start of MODEL 5 1 H PHE 31 H1 PHE 31 -15.549 16.042 -12.203 2 HA PHE 31 HA PHE 31 -14.345 14.917 -13.932 3 HB2 PHE 31 HB2 PHE 31 -12.034 15.540 -14.445 4 HB3 PHE 31 HB3 PHE 31 -13.178 16.817 -14.889 5 HD1 PHE 31 HD1 PHE 31 -10.554 15.826 -12.383 6 HD2 PHE 31 HD2 PHE 31 -13.016 19.029 -13.937 7 HE1 PHE 31 HE1 PHE 31 -9.264 17.473 -11.051 8 HE2 PHE 31 HE2 PHE 31 -11.700 20.668 -12.617 9 HZ PHE 31 HZ PHE 31 -9.839 19.895 -11.174 10 H ASN 32 H ASN 32 -12.456 13.386 -13.395 11 HA ASN 32 HA ASN 32 -12.558 12.891 -10.437 12 HB2 ASN 32 HB2 ASN 32 -12.622 10.803 -12.655 13 HB3 ASN 32 HB3 ASN 32 -12.935 10.550 -10.930 14 HD21 ASN 32 HD22 ASN 32 -14.622 9.869 -13.247 15 HD22 ASN 32 HD21 ASN 32 -16.121 10.761 -13.020 16 H VAL 33 H VAL 33 -10.864 11.227 -9.714 17 HA VAL 33 HA VAL 33 -8.232 12.152 -10.781 18 HB VAL 33 HB VAL 33 -8.843 10.943 -8.062 19 HG11 VAL 33 HG11 VAL 33 -6.514 12.648 -9.051 20 HG12 VAL 33 HG12 VAL 33 -6.756 12.082 -7.383 21 HG13 VAL 33 HG13 VAL 33 -6.448 10.918 -8.665 22 HG21 VAL 33 HG21 VAL 33 -10.189 12.979 -8.225 23 HG22 VAL 33 HG22 VAL 33 -8.811 13.243 -7.172 24 HG23 VAL 33 HG23 VAL 33 -8.782 13.888 -8.825 25 H SER 34 H SER 34 -9.787 9.157 -9.569 26 HA SER 34 HA SER 34 -7.660 7.480 -10.801 27 HB2 SER 34 HB2 SER 34 -8.621 7.077 -7.951 28 HB3 SER 34 HB3 SER 34 -7.237 6.334 -8.761 29 HG SER 34 HG SER 34 -6.528 7.896 -7.355 30 H ASN 35 H ASN 35 -8.324 5.304 -11.143 31 HA ASN 35 HA ASN 35 -11.259 4.745 -10.773 32 HB2 ASN 35 HB2 ASN 35 -9.468 4.111 -13.156 33 HB3 ASN 35 HB3 ASN 35 -11.086 3.462 -12.910 34 HD21 ASN 35 HD22 ASN 35 -9.342 6.184 -14.079 35 HD22 ASN 35 HD21 ASN 35 -10.801 7.139 -14.407 36 H ALA 36 H ALA 36 -7.984 3.365 -10.449 37 HA ALA 36 HA ALA 36 -8.994 0.692 -9.795 38 HB1 ALA 36 HB1 ALA 36 -6.341 2.042 -9.012 39 HB2 ALA 36 HB2 ALA 36 -6.741 0.323 -8.877 40 HB3 ALA 36 HB3 ALA 36 -6.627 1.060 -10.481 41 H GLU 37 H GLU 37 -7.838 3.459 -7.840 42 HA GLU 37 HA GLU 37 -9.864 3.253 -5.820 43 HB2 GLU 37 HB2 GLU 37 -8.511 1.325 -5.147 44 HB3 GLU 37 HB3 GLU 37 -7.034 2.279 -5.187 45 HG2 GLU 37 HG2 GLU 37 -7.833 1.762 -2.926 46 HG3 GLU 37 HG3 GLU 37 -7.729 3.492 -3.215 47 H LEU 38 H LEU 38 -9.611 5.026 -4.296 48 HA LEU 38 HA LEU 38 -7.528 7.068 -4.977 49 HB2 LEU 38 HB2 LEU 38 -9.783 7.787 -5.590 50 HB3 LEU 38 HB3 LEU 38 -10.357 7.548 -3.948 51 HG LEU 38 HG LEU 38 -7.995 9.390 -4.401 52 HD11 LEU 38 HD11 LEU 38 -10.874 10.247 -4.871 53 HD12 LEU 38 HD12 LEU 38 -9.438 11.295 -4.886 54 HD13 LEU 38 HD13 LEU 38 -9.638 10.053 -6.131 55 HD21 LEU 38 HD21 LEU 38 -8.810 9.028 -2.066 56 HD22 LEU 38 HD22 LEU 38 -9.038 10.701 -2.580 57 HD23 LEU 38 HD23 LEU 38 -10.422 9.589 -2.551 58 H ILE 39 H ILE 39 -9.194 5.235 -2.361 59 HA ILE 39 HA ILE 39 -8.071 6.694 -0.187 60 HB ILE 39 HB ILE 39 -8.623 5.121 1.263 61 HG12 ILE 39 HG12 ILE 39 -9.740 3.013 -0.503 62 HG13 ILE 39 HG13 ILE 39 -7.966 3.044 -0.431 63 HG21 ILE 39 HG21 ILE 39 -10.801 5.150 -0.852 64 HG22 ILE 39 HG22 ILE 39 -11.006 4.882 0.886 65 HG23 ILE 39 HG23 ILE 39 -10.437 6.457 0.297 66 HD11 ILE 39 HD11 ILE 39 -9.820 3.085 1.966 67 HD12 ILE 39 HD12 ILE 39 -8.989 1.635 1.345 68 HD13 ILE 39 HD13 ILE 39 -8.044 3.026 1.991 69 H VAL 40 H VAL 40 -6.481 4.173 -2.102 70 HA VAL 40 HA VAL 40 -4.226 3.744 -0.404 71 HB VAL 40 HB VAL 40 -2.931 3.159 -2.411 72 HG11 VAL 40 HG11 VAL 40 -5.683 1.892 -2.333 73 HG12 VAL 40 HG12 VAL 40 -4.210 1.188 -3.031 74 HG13 VAL 40 HG13 VAL 40 -4.309 1.492 -1.288 75 HG21 VAL 40 HG21 VAL 40 -3.812 4.681 -4.108 76 HG22 VAL 40 HG22 VAL 40 -3.973 3.014 -4.631 77 HG23 VAL 40 HG23 VAL 40 -5.403 3.887 -4.038 78 H MET 41 H MET 41 -5.010 6.570 -2.318 79 HA MET 41 HA MET 41 -2.294 7.693 -1.925 80 HB2 MET 41 HB2 MET 41 -4.715 8.715 -3.442 81 HB3 MET 41 HB3 MET 41 -3.190 9.581 -3.331 82 HG2 MET 41 HG2 MET 41 -3.276 6.769 -4.442 83 HG3 MET 41 HG3 MET 41 -3.707 8.150 -5.411 84 HE1 MET 41 HE1 MET 41 -0.839 6.359 -3.446 85 HE2 MET 41 HE2 MET 41 0.613 7.204 -4.016 86 HE3 MET 41 HE3 MET 41 -0.422 7.979 -2.823 87 H ARG 42 H ARG 42 -4.770 7.355 0.137 88 HA ARG 42 HA ARG 42 -4.165 10.004 1.421 89 HB2 ARG 42 HB2 ARG 42 -6.509 9.710 0.484 90 HB3 ARG 42 HB3 ARG 42 -6.810 8.517 1.750 91 HG2 ARG 42 HG2 ARG 42 -5.824 11.341 2.359 92 HG3 ARG 42 HG3 ARG 42 -7.511 11.005 2.084 93 HD2 ARG 42 HD2 ARG 42 -7.602 9.467 3.996 94 HD3 ARG 42 HD3 ARG 42 -5.878 9.709 4.289 95 HE ARG 42 HE ARG 42 -6.246 11.801 5.227 96 HH11 ARG 42 HH11 ARG 42 -9.362 10.692 3.967 97 HH12 ARG 42 HH12 ARG 42 -10.197 12.051 4.639 98 HH21 ARG 42 HH21 ARG 42 -7.336 13.363 6.084 99 HH22 ARG 42 HH22 ARG 42 -9.088 13.477 5.990 100 H VAL 43 H VAL 43 -4.957 6.535 2.181 101 HA VAL 43 HA VAL 43 -4.477 6.684 4.964 102 HB VAL 43 HB VAL 43 -5.207 4.603 4.566 103 HG11 VAL 43 HG11 VAL 43 -4.372 3.072 2.673 104 HG12 VAL 43 HG12 VAL 43 -5.425 4.398 2.293 105 HG13 VAL 43 HG13 VAL 43 -3.668 4.538 1.959 106 HG21 VAL 43 HG21 VAL 43 -3.047 4.196 5.761 107 HG22 VAL 43 HG22 VAL 43 -3.567 2.811 4.761 108 HG23 VAL 43 HG23 VAL 43 -2.268 3.884 4.213 109 H ILE 44 H ILE 44 -2.022 5.784 2.535 110 HA ILE 44 HA ILE 44 0.059 5.614 4.427 111 HB ILE 44 HB ILE 44 0.107 6.033 1.403 112 HG12 ILE 44 HG12 ILE 44 0.359 3.483 3.061 113 HG13 ILE 44 HG13 ILE 44 -1.148 4.009 2.339 114 HG21 ILE 44 HG21 ILE 44 2.310 5.219 3.344 115 HG22 ILE 44 HG22 ILE 44 2.442 5.082 1.573 116 HG23 ILE 44 HG23 ILE 44 2.260 6.668 2.328 117 HD11 ILE 44 HD11 ILE 44 1.340 3.198 0.813 118 HD12 ILE 44 HD12 ILE 44 -0.252 2.415 0.838 119 HD13 ILE 44 HD13 ILE 44 -0.075 4.003 0.077 120 H TRP 45 H TRP 45 -0.859 8.242 2.320 121 HA TRP 45 HA TRP 45 1.418 9.988 2.862 122 HB2 TRP 45 HB2 TRP 45 0.172 10.315 0.841 123 HB3 TRP 45 HB3 TRP 45 -1.362 10.405 1.707 124 HD1 TRP 45 HD1 TRP 45 -2.211 12.663 2.398 125 HE1 TRP 45 HE1 TRP 45 -1.321 15.040 2.562 126 HE3 TRP 45 HE3 TRP 45 2.658 11.775 1.074 127 HZ2 TRP 45 HZ2 TRP 45 1.178 16.430 2.069 128 HZ3 TRP 45 HZ3 TRP 45 4.281 13.653 0.962 129 HH2 TRP 45 HH2 TRP 45 3.559 15.977 1.453 130 H SER 46 H SER 46 -1.524 9.312 4.549 131 HA SER 46 HA SER 46 -1.422 11.776 6.239 132 HB2 SER 46 HB2 SER 46 -3.591 10.808 5.610 133 HB3 SER 46 HB3 SER 46 -3.177 9.312 6.504 134 HG SER 46 HG SER 46 -4.401 10.841 7.779 135 H LEU 47 H LEU 47 -0.828 8.288 6.500 136 HA LEU 47 HA LEU 47 0.019 8.125 9.191 137 HB2 LEU 47 HB2 LEU 47 -0.679 6.415 7.296 138 HB3 LEU 47 HB3 LEU 47 1.043 6.384 6.972 139 HG LEU 47 HG LEU 47 1.298 5.910 9.543 140 HD11 LEU 47 HD11 LEU 47 -1.674 5.311 9.094 141 HD12 LEU 47 HD12 LEU 47 -0.731 4.856 10.532 142 HD13 LEU 47 HD13 LEU 47 -1.043 6.568 10.169 143 HD21 LEU 47 HD21 LEU 47 1.614 4.347 7.738 144 HD22 LEU 47 HD22 LEU 47 0.756 3.526 9.072 145 HD23 LEU 47 HD23 LEU 47 -0.141 4.063 7.621 146 H GLY 48 H GLY 48 1.987 8.144 6.245 147 HA2 GLY 48 HA2 GLY 48 3.984 9.771 6.229 148 HA3 GLY 48 HA3 GLY 48 4.462 8.942 7.723 149 H GLU 49 H GLU 49 4.434 6.452 7.517 150 HA GLU 49 HA GLU 49 4.770 5.349 4.858 151 HB2 GLU 49 HB2 GLU 49 6.888 4.387 5.204 152 HB3 GLU 49 HB3 GLU 49 7.016 6.127 5.382 153 HG2 GLU 49 HG2 GLU 49 6.908 5.560 7.975 154 HG3 GLU 49 HG3 GLU 49 7.335 3.923 7.414 155 H ALA 50 H ALA 50 4.555 3.024 4.859 156 HA ALA 50 HA ALA 50 3.227 1.913 7.307 157 HB1 ALA 50 HB1 ALA 50 2.084 2.072 4.480 158 HB2 ALA 50 HB2 ALA 50 1.268 1.394 5.908 159 HB3 ALA 50 HB3 ALA 50 1.604 3.125 5.817 160 H ARG 51 H ARG 51 2.970 -0.410 7.317 161 HA ARG 51 HA ARG 51 4.948 -1.877 5.628 162 HB2 ARG 51 HB2 ARG 51 3.178 -2.878 7.915 163 HB3 ARG 51 HB3 ARG 51 4.317 -3.868 7.028 164 HG2 ARG 51 HG2 ARG 51 5.096 -1.432 8.664 165 HG3 ARG 51 HG3 ARG 51 5.122 -3.109 9.231 166 HD2 ARG 51 HD2 ARG 51 6.738 -3.676 7.401 167 HD3 ARG 51 HD3 ARG 51 6.755 -1.973 6.932 168 HE ARG 51 HE ARG 51 8.156 -1.481 8.717 169 HH11 ARG 51 HH11 ARG 51 6.699 -4.514 9.772 170 HH12 ARG 51 HH12 ARG 51 8.134 -4.886 10.711 171 HH21 ARG 51 HH21 ARG 51 9.703 -1.993 10.191 172 HH22 ARG 51 HH22 ARG 51 9.575 -3.507 11.072 173 H VAL 52 H VAL 52 4.171 -3.914 4.476 174 HA VAL 52 HA VAL 52 1.868 -3.431 2.938 175 HB VAL 52 HB VAL 52 2.812 -4.873 1.673 176 HG11 VAL 52 HG11 VAL 52 4.248 -6.058 4.104 177 HG12 VAL 52 HG12 VAL 52 4.638 -6.391 2.391 178 HG13 VAL 52 HG13 VAL 52 4.828 -4.741 3.022 179 HG21 VAL 52 HG21 VAL 52 0.997 -6.303 2.194 180 HG22 VAL 52 HG22 VAL 52 2.446 -7.278 1.930 181 HG23 VAL 52 HG23 VAL 52 1.887 -6.989 3.613 182 H ASP 53 H ASP 53 2.092 -5.377 5.811 183 HA ASP 53 HA ASP 53 -0.698 -6.234 5.853 184 HB2 ASP 53 HB2 ASP 53 0.926 -7.603 6.784 185 HB3 ASP 53 HB3 ASP 53 1.813 -6.308 7.504 186 H GLU 54 H GLU 54 0.836 -3.237 6.540 187 HA GLU 54 HA GLU 54 -1.198 -2.262 8.476 188 HB2 GLU 54 HB2 GLU 54 1.420 -1.605 8.115 189 HB3 GLU 54 HB3 GLU 54 0.702 -0.404 7.077 190 HG2 GLU 54 HG2 GLU 54 0.236 -0.908 10.032 191 HG3 GLU 54 HG3 GLU 54 1.138 0.428 9.340 192 H ILE 55 H ILE 55 -0.098 -1.562 5.133 193 HA ILE 55 HA ILE 55 -2.136 0.337 4.516 194 HB ILE 55 HB ILE 55 -1.650 -0.166 2.117 195 HG12 ILE 55 HG12 ILE 55 -0.027 -2.354 3.404 196 HG13 ILE 55 HG13 ILE 55 -1.244 -2.532 2.113 197 HG21 ILE 55 HG21 ILE 55 0.841 0.037 3.821 198 HG22 ILE 55 HG22 ILE 55 0.608 0.668 2.162 199 HG23 ILE 55 HG23 ILE 55 -0.291 1.378 3.543 200 HD11 ILE 55 HD11 ILE 55 1.576 -1.495 2.003 201 HD12 ILE 55 HD12 ILE 55 0.854 -2.899 1.182 202 HD13 ILE 55 HD13 ILE 55 0.378 -1.208 0.704 203 H TYR 56 H TYR 56 -2.169 -3.239 3.948 204 HA TYR 56 HA TYR 56 -4.799 -3.410 2.937 205 HB2 TYR 56 HB2 TYR 56 -2.972 -5.048 2.890 206 HB3 TYR 56 HB3 TYR 56 -3.103 -5.292 4.623 207 HD1 TYR 56 HD2 TYR 56 -5.165 -5.379 1.511 208 HD2 TYR 56 HD1 TYR 56 -4.398 -7.020 5.375 209 HE1 TYR 56 HE2 TYR 56 -7.003 -7.074 1.122 210 HE2 TYR 56 HE1 TYR 56 -6.223 -8.736 5.022 211 HH TYR 56 HH TYR 56 -7.788 -9.568 3.515 212 H ALA 57 H ALA 57 -3.630 -3.175 6.285 213 HA ALA 57 HA ALA 57 -6.100 -4.024 7.515 214 HB1 ALA 57 HB1 ALA 57 -4.092 -2.070 8.665 215 HB2 ALA 57 HB2 ALA 57 -5.209 -3.124 9.540 216 HB3 ALA 57 HB3 ALA 57 -3.841 -3.849 8.651 217 H GLN 58 H GLN 58 -5.117 -0.976 6.035 218 HA GLN 58 HA GLN 58 -7.258 0.563 7.253 219 HB2 GLN 58 HB2 GLN 58 -4.796 0.941 5.749 220 HB3 GLN 58 HB3 GLN 58 -6.078 1.750 4.885 221 HG2 GLN 58 HG2 GLN 58 -4.860 3.138 6.497 222 HG3 GLN 58 HG3 GLN 58 -6.618 3.127 6.730 223 HE21 GLN 58 HE22 GLN 58 -3.633 1.287 7.916 224 HE22 GLN 58 HE21 GLN 58 -4.248 1.205 9.515 225 H ILE 59 H ILE 59 -7.013 -1.516 4.550 226 HA ILE 59 HA ILE 59 -9.138 -0.430 2.895 227 HB ILE 59 HB ILE 59 -7.501 -2.968 2.783 228 HG12 ILE 59 HG12 ILE 59 -7.376 -0.257 1.376 229 HG13 ILE 59 HG13 ILE 59 -6.232 -0.883 2.565 230 HG21 ILE 59 HG21 ILE 59 -9.170 -1.848 0.537 231 HG22 ILE 59 HG22 ILE 59 -8.237 -3.360 0.575 232 HG23 ILE 59 HG23 ILE 59 -9.692 -3.218 1.563 233 HD11 ILE 59 HD11 ILE 59 -6.620 -1.885 -0.251 234 HD12 ILE 59 HD12 ILE 59 -5.226 -1.036 0.445 235 HD13 ILE 59 HD13 ILE 59 -5.616 -2.689 0.991 236 HA PRO 60 HA PRO 60 -12.135 -2.645 5.542 237 HB2 PRO 60 HB2 PRO 60 -14.454 -1.473 4.686 238 HB3 PRO 60 HB3 PRO 60 -13.268 -0.625 5.722 239 HG2 PRO 60 HG2 PRO 60 -13.570 -0.446 2.716 240 HG3 PRO 60 HG3 PRO 60 -13.418 0.893 3.890 241 HD2 PRO 60 HD2 PRO 60 -11.283 -0.077 2.476 242 HD3 PRO 60 HD3 PRO 60 -11.114 0.528 4.150 243 H GLN 61 H GLN 61 -13.603 -4.393 5.267 244 HA GLN 61 HA GLN 61 -13.334 -5.786 2.762 245 HB2 GLN 61 HB2 GLN 61 -13.695 -6.711 5.216 246 HB3 GLN 61 HB3 GLN 61 -15.398 -6.691 4.769 247 HG2 GLN 61 HG2 GLN 61 -13.659 -7.895 2.666 248 HG3 GLN 61 HG3 GLN 61 -13.459 -8.672 4.218 249 HE21 GLN 61 HE22 GLN 61 -16.203 -7.610 2.069 250 HE22 GLN 61 HE21 GLN 61 -17.114 -9.079 2.395 251 H GLU 62 H GLU 62 -15.488 -3.314 3.516 252 HA GLU 62 HA GLU 62 -17.819 -3.870 1.976 253 HB2 GLU 62 HB2 GLU 62 -16.231 -1.285 2.356 254 HB3 GLU 62 HB3 GLU 62 -17.789 -1.388 1.529 255 HG2 GLU 62 HG2 GLU 62 -18.813 -2.305 3.591 256 HG3 GLU 62 HG3 GLU 62 -17.284 -2.076 4.444 257 H LEU 63 H LEU 63 -14.552 -3.329 0.943 258 HA LEU 63 HA LEU 63 -15.192 -2.762 -1.881 259 HB2 LEU 63 HB2 LEU 63 -12.562 -3.314 -0.456 260 HB3 LEU 63 HB3 LEU 63 -12.732 -2.647 -2.078 261 HG LEU 63 HG LEU 63 -13.680 -1.284 0.498 262 HD11 LEU 63 HD11 LEU 63 -11.252 -0.861 -1.266 263 HD12 LEU 63 HD12 LEU 63 -11.730 0.192 0.082 264 HD13 LEU 63 HD13 LEU 63 -11.310 -1.512 0.398 265 HD21 LEU 63 HD21 LEU 63 -15.026 -0.677 -1.416 266 HD22 LEU 63 HD22 LEU 63 -13.943 0.675 -0.988 267 HD23 LEU 63 HD23 LEU 63 -13.563 -0.371 -2.386 268 H GLU 64 H GLU 64 -14.377 -5.403 -0.010 269 HA GLU 64 HA GLU 64 -14.494 -7.695 -0.259 270 HB2 GLU 64 HB2 GLU 64 -14.759 -7.301 -3.245 271 HB3 GLU 64 HB3 GLU 64 -15.048 -8.759 -2.334 272 HG2 GLU 64 HG2 GLU 64 -16.937 -7.673 -1.150 273 HG3 GLU 64 HG3 GLU 64 -16.731 -6.229 -2.183 274 H TRP 65 H TRP 65 -11.984 -5.904 -1.301 275 HA TRP 65 HA TRP 65 -10.560 -7.607 -3.048 276 HB2 TRP 65 HB2 TRP 65 -9.664 -5.312 -1.198 277 HB3 TRP 65 HB3 TRP 65 -8.573 -6.135 -2.465 278 HD1 TRP 65 HD1 TRP 65 -12.111 -5.581 -3.779 279 HE1 TRP 65 HE1 TRP 65 -12.160 -3.496 -5.275 280 HE3 TRP 65 HE3 TRP 65 -7.471 -3.689 -2.722 281 HZ2 TRP 65 HZ2 TRP 65 -10.294 -1.473 -6.218 282 HZ3 TRP 65 HZ3 TRP 65 -6.617 -1.671 -3.900 283 HH2 TRP 65 HH2 TRP 65 -8.022 -0.646 -5.698 284 H SER 66 H SER 66 -9.339 -9.284 -2.881 285 HA SER 66 HA SER 66 -8.458 -10.420 -0.281 286 HB2 SER 66 HB2 SER 66 -7.342 -12.097 -1.786 287 HB3 SER 66 HB3 SER 66 -9.058 -11.867 -2.129 288 HG SER 66 HG SER 66 -8.026 -11.973 -4.060 289 H LEU 67 H LEU 67 -6.353 -10.579 0.417 290 HA LEU 67 HA LEU 67 -4.793 -8.480 0.461 291 HB2 LEU 67 HB2 LEU 67 -4.798 -10.975 1.650 292 HB3 LEU 67 HB3 LEU 67 -3.243 -10.979 0.822 293 HG LEU 67 HG LEU 67 -4.310 -9.341 3.100 294 HD11 LEU 67 HD11 LEU 67 -1.652 -10.589 2.450 295 HD12 LEU 67 HD12 LEU 67 -2.129 -9.840 4.021 296 HD13 LEU 67 HD13 LEU 67 -2.958 -11.303 3.440 297 HD21 LEU 67 HD21 LEU 67 -3.513 -7.540 1.600 298 HD22 LEU 67 HD22 LEU 67 -2.449 -7.734 3.002 299 HD23 LEU 67 HD23 LEU 67 -2.017 -8.379 1.411 300 H ALA 68 H ALA 68 -4.495 -10.894 -2.089 301 HA ALA 68 HA ALA 68 -1.809 -10.076 -2.945 302 HB1 ALA 68 HB1 ALA 68 -4.153 -11.322 -4.525 303 HB2 ALA 68 HB2 ALA 68 -2.473 -11.201 -5.064 304 HB3 ALA 68 HB3 ALA 68 -2.872 -12.198 -3.671 305 H THR 69 H THR 69 -5.158 -8.805 -3.578 306 HA THR 69 HA THR 69 -4.553 -7.404 -5.935 307 HB THR 69 HB THR 69 -6.729 -6.726 -3.948 308 HG1 THR 69 HG1 THR 69 -7.900 -8.143 -5.257 309 HG21 THR 69 HG21 THR 69 -6.263 -6.136 -6.911 310 HG22 THR 69 HG22 THR 69 -7.830 -5.896 -6.080 311 HG23 THR 69 HG23 THR 69 -6.406 -4.945 -5.618 312 H VAL 70 H VAL 70 -4.749 -5.912 -2.590 313 HA VAL 70 HA VAL 70 -3.901 -3.434 -3.408 314 HB VAL 70 HB VAL 70 -4.718 -3.977 -1.105 315 HG11 VAL 70 HG11 VAL 70 -1.920 -5.038 -0.533 316 HG12 VAL 70 HG12 VAL 70 -3.231 -4.796 0.605 317 HG13 VAL 70 HG13 VAL 70 -3.407 -6.025 -0.654 318 HG21 VAL 70 HG21 VAL 70 -3.521 -1.887 -1.651 319 HG22 VAL 70 HG22 VAL 70 -3.220 -2.397 0.035 320 HG23 VAL 70 HG23 VAL 70 -1.980 -2.644 -1.215 321 H LYS 71 H LYS 71 -1.785 -6.162 -2.617 322 HA LYS 71 HA LYS 71 0.694 -4.747 -2.811 323 HB2 LYS 71 HB2 LYS 71 0.168 -7.710 -3.341 324 HB3 LYS 71 HB3 LYS 71 1.734 -6.961 -2.969 325 HG2 LYS 71 HG2 LYS 71 0.810 -6.217 -0.780 326 HG3 LYS 71 HG3 LYS 71 -0.684 -7.077 -1.137 327 HD2 LYS 71 HD2 LYS 71 0.798 -9.154 -1.544 328 HD3 LYS 71 HD3 LYS 71 2.067 -8.251 -0.665 329 HE2 LYS 71 HE2 LYS 71 0.164 -7.861 1.152 330 HE3 LYS 71 HE3 LYS 71 -0.698 -9.041 0.262 331 HZ1 LYS 71 HZ1 LYS 71 1.896 -9.664 1.572 332 HZ2 LYS 71 HZ2 LYS 71 0.420 -10.112 2.090 333 HZ3 LYS 71 HZ3 LYS 71 0.978 -10.734 0.704 334 H THR 72 H THR 72 -1.107 -6.566 -5.272 335 HA THR 72 HA THR 72 0.839 -5.959 -7.349 336 HB THR 72 HB THR 72 -0.680 -7.806 -7.646 337 HG1 THR 72 HG1 THR 72 -0.778 -5.738 -9.570 338 HG21 THR 72 HG21 THR 72 -2.838 -5.689 -7.991 339 HG22 THR 72 HG22 THR 72 -2.981 -7.396 -8.495 340 HG23 THR 72 HG23 THR 72 -2.726 -6.982 -6.791 341 H LEU 73 H LEU 73 -1.926 -3.995 -6.116 342 HA LEU 73 HA LEU 73 -1.918 -2.203 -8.385 343 HB2 LEU 73 HB2 LEU 73 -3.772 -3.026 -6.850 344 HB3 LEU 73 HB3 LEU 73 -3.087 -2.029 -5.574 345 HG LEU 73 HG LEU 73 -4.323 -1.121 -8.212 346 HD11 LEU 73 HD11 LEU 73 -5.105 -0.818 -5.280 347 HD12 LEU 73 HD12 LEU 73 -6.039 -0.250 -6.681 348 HD13 LEU 73 HD13 LEU 73 -5.810 -1.999 -6.397 349 HD21 LEU 73 HD21 LEU 73 -2.630 0.491 -7.723 350 HD22 LEU 73 HD22 LEU 73 -4.152 1.175 -7.133 351 HD23 LEU 73 HD23 LEU 73 -2.975 0.431 -5.980 352 H LEU 74 H LEU 74 -0.693 -2.178 -5.027 353 HA LEU 74 HA LEU 74 0.640 0.301 -4.831 354 HB2 LEU 74 HB2 LEU 74 1.450 -2.526 -4.049 355 HB3 LEU 74 HB3 LEU 74 2.483 -1.152 -3.683 356 HG LEU 74 HG LEU 74 -0.343 -1.502 -2.709 357 HD11 LEU 74 HD11 LEU 74 1.941 -1.463 -0.834 358 HD12 LEU 74 HD12 LEU 74 0.600 -2.658 -0.994 359 HD13 LEU 74 HD13 LEU 74 2.066 -2.804 -1.960 360 HD21 LEU 74 HD21 LEU 74 0.058 0.783 -2.855 361 HD22 LEU 74 HD22 LEU 74 0.501 0.402 -1.160 362 HD23 LEU 74 HD23 LEU 74 1.766 0.622 -2.423 363 H GLY 75 H GLY 75 1.710 -2.685 -6.155 364 HA2 GLY 75 HA2 GLY 75 4.317 -2.040 -7.045 365 HA3 GLY 75 HA3 GLY 75 3.278 -3.265 -7.808 366 H ARG 76 H ARG 76 1.283 -1.025 -8.371 367 HA ARG 76 HA ARG 76 2.384 -0.168 -11.015 368 HB2 ARG 76 HB2 ARG 76 -0.385 0.226 -9.847 369 HB3 ARG 76 HB3 ARG 76 0.094 0.604 -11.487 370 HG2 ARG 76 HG2 ARG 76 0.351 -2.262 -10.512 371 HG3 ARG 76 HG3 ARG 76 -1.210 -1.640 -10.973 372 HD2 ARG 76 HD2 ARG 76 -0.495 -1.165 -13.211 373 HD3 ARG 76 HD3 ARG 76 1.206 -1.405 -12.792 374 HE ARG 76 HE ARG 76 0.450 -3.852 -12.265 375 HH11 ARG 76 HH11 ARG 76 -0.782 -2.013 -15.047 376 HH12 ARG 76 HH12 ARG 76 -0.925 -3.446 -15.997 377 HH21 ARG 76 HH21 ARG 76 0.340 -5.514 -13.530 378 HH22 ARG 76 HH22 ARG 76 -0.394 -5.422 -15.125 379 H LEU 77 H LEU 77 1.099 1.154 -7.903 380 HA LEU 77 HA LEU 77 1.483 3.922 -8.552 381 HB2 LEU 77 HB2 LEU 77 2.123 2.722 -5.839 382 HB3 LEU 77 HB3 LEU 77 1.463 4.298 -6.201 383 HG LEU 77 HG LEU 77 0.009 1.657 -6.368 384 HD11 LEU 77 HD11 LEU 77 -0.345 4.046 -4.555 385 HD12 LEU 77 HD12 LEU 77 -1.180 2.470 -4.469 386 HD13 LEU 77 HD13 LEU 77 0.575 2.573 -4.173 387 HD21 LEU 77 HD21 LEU 77 -0.817 2.938 -8.116 388 HD22 LEU 77 HD22 LEU 77 -1.978 3.186 -6.774 389 HD23 LEU 77 HD23 LEU 77 -0.764 4.453 -7.172 390 H VAL 78 H VAL 78 3.574 1.650 -6.941 391 HA VAL 78 HA VAL 78 5.778 3.461 -6.688 392 HB VAL 78 HB VAL 78 6.948 2.037 -5.540 393 HG11 VAL 78 HG11 VAL 78 4.810 -0.092 -5.674 394 HG12 VAL 78 HG12 VAL 78 5.864 0.344 -4.331 395 HG13 VAL 78 HG13 VAL 78 4.545 1.419 -4.792 396 HG21 VAL 78 HG21 VAL 78 7.895 0.791 -7.390 397 HG22 VAL 78 HG22 VAL 78 7.528 -0.268 -6.046 398 HG23 VAL 78 HG23 VAL 78 6.445 -0.240 -7.480 399 H LYS 79 H LYS 79 5.050 1.354 -9.387 400 HA LYS 79 HA LYS 79 7.455 1.676 -10.891 401 HB2 LYS 79 HB2 LYS 79 4.833 0.490 -11.279 402 HB3 LYS 79 HB3 LYS 79 5.157 1.566 -12.637 403 HG2 LYS 79 HG2 LYS 79 5.977 -0.473 -13.281 404 HG3 LYS 79 HG3 LYS 79 7.298 0.626 -12.962 405 HD2 LYS 79 HD2 LYS 79 8.094 -1.412 -12.026 406 HD3 LYS 79 HD3 LYS 79 7.507 -0.461 -10.645 407 HE2 LYS 79 HE2 LYS 79 6.512 -2.551 -10.285 408 HE3 LYS 79 HE3 LYS 79 5.258 -1.547 -11.043 409 HZ1 LYS 79 HZ1 LYS 79 6.925 -3.424 -12.554 410 HZ2 LYS 79 HZ2 LYS 79 5.448 -3.835 -11.967 411 HZ3 LYS 79 HZ3 LYS 79 5.586 -2.640 -13.098 412 H LYS 80 H LYS 80 5.126 3.887 -10.260 413 HA LYS 80 HA LYS 80 6.026 5.768 -12.414 414 HB2 LYS 80 HB2 LYS 80 3.641 4.552 -12.435 415 HB3 LYS 80 HB3 LYS 80 3.198 5.879 -11.345 416 HG2 LYS 80 HG2 LYS 80 3.985 7.515 -13.068 417 HG3 LYS 80 HG3 LYS 80 4.523 6.167 -14.087 418 HD2 LYS 80 HD2 LYS 80 2.131 5.355 -14.167 419 HD3 LYS 80 HD3 LYS 80 1.654 6.853 -13.321 420 HE2 LYS 80 HE2 LYS 80 2.735 8.193 -15.113 421 HE3 LYS 80 HE3 LYS 80 3.254 6.711 -15.921 422 HZ1 LYS 80 HZ1 LYS 80 0.467 7.619 -15.531 423 HZ2 LYS 80 HZ2 LYS 80 1.316 7.512 -16.962 424 HZ3 LYS 80 HZ3 LYS 80 0.862 6.146 -16.162 425 H GLU 81 H GLU 81 6.967 5.572 -9.684 426 HA GLU 81 HA GLU 81 7.609 6.845 -7.930 427 HB2 GLU 81 HB2 GLU 81 7.402 8.899 -10.148 428 HB3 GLU 81 HB3 GLU 81 7.928 9.354 -8.558 429 HG2 GLU 81 HG2 GLU 81 9.893 9.042 -9.661 430 HG3 GLU 81 HG3 GLU 81 9.733 7.611 -8.648 431 H MET 82 H MET 82 4.471 6.543 -8.103 432 HA MET 82 HA MET 82 3.429 8.927 -6.829 433 HB2 MET 82 HB2 MET 82 2.548 6.055 -6.532 434 HB3 MET 82 HB3 MET 82 1.558 7.471 -6.188 435 HG2 MET 82 HG2 MET 82 2.632 6.739 -8.930 436 HG3 MET 82 HG3 MET 82 1.065 6.249 -8.311 437 HE1 MET 82 HE1 MET 82 2.716 8.766 -10.579 438 HE2 MET 82 HE2 MET 82 2.135 10.356 -10.046 439 HE3 MET 82 HE3 MET 82 3.285 9.449 -9.038 440 H LEU 83 H LEU 83 4.996 6.081 -5.668 441 HA LEU 83 HA LEU 83 5.972 7.297 -3.285 442 HB2 LEU 83 HB2 LEU 83 5.042 6.089 -1.550 443 HB3 LEU 83 HB3 LEU 83 3.649 6.464 -2.536 444 HG LEU 83 HG LEU 83 5.068 3.783 -2.251 445 HD11 LEU 83 HD11 LEU 83 2.219 4.645 -1.655 446 HD12 LEU 83 HD12 LEU 83 2.898 3.018 -1.417 447 HD13 LEU 83 HD13 LEU 83 3.510 4.382 -0.460 448 HD21 LEU 83 HD21 LEU 83 4.476 3.874 -4.540 449 HD22 LEU 83 HD22 LEU 83 3.242 2.893 -3.726 450 HD23 LEU 83 HD23 LEU 83 2.878 4.582 -4.177 451 H SER 84 H SER 84 7.196 5.246 -2.005 452 HA SER 84 HA SER 84 8.323 3.363 -4.020 453 HB2 SER 84 HB2 SER 84 10.057 5.107 -2.250 454 HB3 SER 84 HB3 SER 84 10.602 3.697 -3.174 455 HG SER 84 HG SER 84 9.943 6.236 -4.110 456 H THR 85 H THR 85 9.798 1.738 -2.857 457 HA THR 85 HA THR 85 8.913 1.233 -0.093 458 HB THR 85 HB THR 85 7.197 0.263 -1.460 459 HG1 THR 85 HG1 THR 85 8.112 -0.947 0.318 460 HG21 THR 85 HG21 THR 85 9.343 -1.337 -2.899 461 HG22 THR 85 HG22 THR 85 7.579 -1.431 -3.152 462 HG23 THR 85 HG23 THR 85 8.449 0.053 -3.594 463 H GLU 86 H GLU 86 10.176 -0.185 1.139 464 HA GLU 86 HA GLU 86 12.543 -1.386 -0.162 465 HB2 GLU 86 HB2 GLU 86 14.106 -0.597 1.458 466 HB3 GLU 86 HB3 GLU 86 13.352 0.778 0.624 467 HG2 GLU 86 HG2 GLU 86 11.863 1.107 2.621 468 HG3 GLU 86 HG3 GLU 86 12.699 -0.218 3.439 469 H LYS 87 H LYS 87 13.688 -2.948 1.386 470 HA LYS 87 HA LYS 87 11.581 -4.521 2.749 471 HB2 LYS 87 HB2 LYS 87 12.629 -5.308 0.581 472 HB3 LYS 87 HB3 LYS 87 14.195 -5.364 1.418 473 HG2 LYS 87 HG2 LYS 87 13.123 -6.953 3.073 474 HG3 LYS 87 HG3 LYS 87 11.646 -6.882 2.084 475 HD2 LYS 87 HD2 LYS 87 13.015 -7.759 0.127 476 HD3 LYS 87 HD3 LYS 87 14.395 -7.932 1.264 477 HE2 LYS 87 HE2 LYS 87 12.780 -9.044 2.829 478 HE3 LYS 87 HE3 LYS 87 11.612 -9.111 1.500 479 HZ1 LYS 87 HZ1 LYS 87 14.321 -10.367 1.366 480 HZ2 LYS 87 HZ2 LYS 87 13.064 -11.165 1.934 481 HZ3 LYS 87 HZ3 LYS 87 13.048 -10.688 0.355 482 H GLU 88 H GLU 88 11.802 -5.069 4.792 483 HA GLU 88 HA GLU 88 14.512 -5.025 6.103 484 HB2 GLU 88 HB2 GLU 88 11.828 -4.236 7.221 485 HB3 GLU 88 HB3 GLU 88 13.093 -4.864 8.275 486 HG2 GLU 88 HG2 GLU 88 13.604 -2.518 6.403 487 HG3 GLU 88 HG3 GLU 88 12.922 -2.317 8.017 488 H GLY 89 H GLY 89 14.943 -7.019 5.345 489 HA2 GLY 89 HA2 GLY 89 15.276 -9.261 5.443 490 HA3 GLY 89 HA3 GLY 89 14.484 -9.228 7.017 491 H ARG 90 H ARG 90 11.949 -9.082 6.761 492 HA ARG 90 HA ARG 90 11.137 -11.232 4.813 493 HB2 ARG 90 HB2 ARG 90 11.269 -11.445 7.614 494 HB3 ARG 90 HB3 ARG 90 9.551 -11.230 7.279 495 HG2 ARG 90 HG2 ARG 90 9.659 -13.124 5.641 496 HG3 ARG 90 HG3 ARG 90 11.390 -13.294 5.977 497 HD2 ARG 90 HD2 ARG 90 10.751 -13.660 8.441 498 HD3 ARG 90 HD3 ARG 90 9.078 -13.744 7.906 499 HE ARG 90 HE ARG 90 9.426 -15.872 7.062 500 HH11 ARG 90 HH11 ARG 90 12.570 -14.471 7.515 501 HH12 ARG 90 HH12 ARG 90 13.419 -15.981 7.690 502 HH21 ARG 90 HH21 ARG 90 10.527 -17.918 7.431 503 HH22 ARG 90 HH22 ARG 90 12.231 -17.874 7.625 504 H LYS 91 H LYS 91 10.053 -8.220 6.313 505 HA LYS 91 HA LYS 91 7.827 -8.181 4.303 506 HB2 LYS 91 HB2 LYS 91 7.951 -7.321 7.184 507 HB3 LYS 91 HB3 LYS 91 6.894 -6.421 6.103 508 HG2 LYS 91 HG2 LYS 91 5.611 -8.307 5.485 509 HG3 LYS 91 HG3 LYS 91 6.808 -9.446 6.163 510 HD2 LYS 91 HD2 LYS 91 6.358 -8.364 8.422 511 HD3 LYS 91 HD3 LYS 91 4.907 -7.621 7.649 512 HE2 LYS 91 HE2 LYS 91 4.120 -9.912 7.019 513 HE3 LYS 91 HE3 LYS 91 5.580 -10.617 7.693 514 HZ1 LYS 91 HZ1 LYS 91 3.387 -9.361 9.241 515 HZ2 LYS 91 HZ2 LYS 91 3.853 -10.934 9.224 516 HZ3 LYS 91 HZ3 LYS 91 4.808 -9.849 9.930 517 H PHE 92 H PHE 92 7.020 -5.904 4.083 518 HA PHE 92 HA PHE 92 9.274 -4.282 2.947 519 HB2 PHE 92 HB2 PHE 92 6.596 -5.019 1.783 520 HB3 PHE 92 HB3 PHE 92 7.381 -3.512 1.341 521 HD1 PHE 92 HD1 PHE 92 7.597 -7.144 1.242 522 HD2 PHE 92 HD2 PHE 92 9.458 -3.450 0.147 523 HE1 PHE 92 HE1 PHE 92 9.154 -8.392 -0.318 524 HE2 PHE 92 HE2 PHE 92 10.979 -4.615 -1.400 525 HZ PHE 92 HZ PHE 92 10.832 -7.115 -1.650 526 H VAL 93 H VAL 93 9.106 -2.124 3.038 527 HA VAL 93 HA VAL 93 6.858 -0.874 4.548 528 HB VAL 93 HB VAL 93 9.519 0.493 4.120 529 HG11 VAL 93 HG11 VAL 93 7.217 0.733 6.111 530 HG12 VAL 93 HG12 VAL 93 8.679 1.755 6.133 531 HG13 VAL 93 HG13 VAL 93 7.581 1.824 4.746 532 HG21 VAL 93 HG21 VAL 93 10.254 -1.489 5.186 533 HG22 VAL 93 HG22 VAL 93 10.204 -0.204 6.403 534 HG23 VAL 93 HG23 VAL 93 8.915 -1.438 6.370 535 H TYR 94 H TYR 94 5.727 0.592 3.451 536 HA TYR 94 HA TYR 94 6.593 1.449 0.734 537 HB2 TYR 94 HB2 TYR 94 3.879 1.202 2.093 538 HB3 TYR 94 HB3 TYR 94 4.137 2.011 0.546 539 HD1 TYR 94 HD1 TYR 94 4.713 0.800 -1.458 540 HD2 TYR 94 HD2 TYR 94 4.272 -1.348 2.283 541 HE1 TYR 94 HE1 TYR 94 4.833 -1.361 -2.674 542 HE2 TYR 94 HE2 TYR 94 4.378 -3.497 1.036 543 HH TYR 94 HH TYR 94 4.904 -3.620 -2.462 544 H ARG 95 H ARG 95 7.672 3.223 0.900 545 HA ARG 95 HA ARG 95 7.265 5.207 3.084 546 HB2 ARG 95 HB2 ARG 95 9.810 4.376 1.628 547 HB3 ARG 95 HB3 ARG 95 9.703 5.603 2.894 548 HG2 ARG 95 HG2 ARG 95 8.885 3.761 4.453 549 HG3 ARG 95 HG3 ARG 95 9.299 2.612 3.166 550 HD2 ARG 95 HD2 ARG 95 11.139 2.676 4.704 551 HD3 ARG 95 HD3 ARG 95 11.659 3.519 3.235 552 HE ARG 95 HE ARG 95 10.496 5.208 5.368 553 HH11 ARG 95 HH11 ARG 95 13.649 3.876 4.460 554 HH12 ARG 95 HH12 ARG 95 14.424 5.406 4.890 555 HH21 ARG 95 HH21 ARG 95 11.546 6.824 6.049 556 HH22 ARG 95 HH22 ARG 95 13.321 6.962 5.803 557 HA PRO 96 HA PRO 96 6.841 8.266 -0.077 558 HB2 PRO 96 HB2 PRO 96 6.911 10.543 1.364 559 HB3 PRO 96 HB3 PRO 96 5.762 9.247 1.789 560 HG2 PRO 96 HG2 PRO 96 8.518 9.725 3.008 561 HG3 PRO 96 HG3 PRO 96 6.937 9.596 3.867 562 HD2 PRO 96 HD2 PRO 96 8.589 7.442 3.527 563 HD3 PRO 96 HD3 PRO 96 6.815 7.288 3.487 564 H LEU 97 H LEU 97 9.603 7.194 -0.184 565 HA LEU 97 HA LEU 97 11.655 9.146 -0.039 566 HB2 LEU 97 HB2 LEU 97 11.295 6.542 -1.373 567 HB3 LEU 97 HB3 LEU 97 12.582 7.595 -1.945 568 HG LEU 97 HG LEU 97 13.626 7.726 0.220 569 HD11 LEU 97 HD11 LEU 97 11.384 5.936 1.224 570 HD12 LEU 97 HD12 LEU 97 12.876 6.289 2.113 571 HD13 LEU 97 HD13 LEU 97 11.723 7.593 1.786 572 HD21 LEU 97 HD21 LEU 97 14.100 5.888 -1.298 573 HD22 LEU 97 HD22 LEU 97 14.213 5.314 0.380 574 HD23 LEU 97 HD23 LEU 97 12.763 4.936 -0.607 575 H MET 98 H MET 98 11.398 11.102 -0.913 576 HA MET 98 HA MET 98 10.929 11.340 -3.855 577 HB2 MET 98 HB2 MET 98 10.338 13.650 -3.473 578 HB3 MET 98 HB3 MET 98 9.337 12.618 -2.448 579 HG2 MET 98 HG2 MET 98 10.790 13.143 -0.507 580 HG3 MET 98 HG3 MET 98 11.801 14.161 -1.538 581 HE1 MET 98 HE1 MET 98 11.688 16.237 -0.007 582 HE2 MET 98 HE2 MET 98 10.190 16.802 0.773 583 HE3 MET 98 HE3 MET 98 10.832 15.184 1.143 584 H GLU 99 H GLU 99 12.311 12.666 -5.050 585 HA GLU 99 HA GLU 99 14.823 13.675 -3.937 586 HB2 GLU 99 HB2 GLU 99 16.235 12.453 -5.559 587 HB3 GLU 99 HB3 GLU 99 15.529 11.432 -4.312 588 HG2 GLU 99 HG2 GLU 99 13.871 10.545 -5.915 589 HG3 GLU 99 HG3 GLU 99 14.491 11.607 -7.175 Start of MODEL 6 1 H PHE 31 H1 PHE 31 -19.574 11.071 -13.667 2 HA PHE 31 HA PHE 31 -17.427 9.366 -12.662 3 HB2 PHE 31 HB2 PHE 31 -20.078 8.580 -13.808 4 HB3 PHE 31 HB3 PHE 31 -18.663 7.756 -14.449 5 HD1 PHE 31 HD2 PHE 31 -20.451 8.502 -11.218 6 HD2 PHE 31 HD1 PHE 31 -17.558 6.033 -13.273 7 HE1 PHE 31 HE2 PHE 31 -20.252 7.059 -9.219 8 HE2 PHE 31 HE1 PHE 31 -17.392 4.576 -11.269 9 HZ PHE 31 HZ PHE 31 -18.725 5.093 -9.240 10 H ASN 32 H ASN 32 -15.890 8.835 -14.241 11 HA ASN 32 HA ASN 32 -16.230 9.479 -17.027 12 HB2 ASN 32 HB2 ASN 32 -14.519 11.299 -15.299 13 HB3 ASN 32 HB3 ASN 32 -13.908 10.840 -16.883 14 HD21 ASN 32 HD22 ASN 32 -14.948 13.547 -15.799 15 HD22 ASN 32 HD21 ASN 32 -16.059 13.974 -17.084 16 H VAL 33 H VAL 33 -13.422 9.057 -14.744 17 HA VAL 33 HA VAL 33 -12.714 6.549 -16.201 18 HB VAL 33 HB VAL 33 -10.390 7.252 -16.354 19 HG11 VAL 33 HG11 VAL 33 -12.165 9.325 -17.700 20 HG12 VAL 33 HG12 VAL 33 -10.571 8.759 -18.224 21 HG13 VAL 33 HG13 VAL 33 -11.955 7.655 -18.262 22 HG21 VAL 33 HG21 VAL 33 -10.273 8.903 -14.512 23 HG22 VAL 33 HG22 VAL 33 -9.688 9.573 -16.042 24 HG23 VAL 33 HG23 VAL 33 -11.297 10.017 -15.444 25 H SER 34 H SER 34 -11.055 5.227 -15.164 26 HA SER 34 HA SER 34 -11.742 4.725 -12.435 27 HB2 SER 34 HB2 SER 34 -9.825 2.947 -12.815 28 HB3 SER 34 HB3 SER 34 -11.403 2.797 -13.595 29 HG SER 34 HG SER 34 -9.796 2.453 -15.116 30 H ASN 35 H ASN 35 -10.378 4.447 -10.655 31 HA ASN 35 HA ASN 35 -7.866 5.909 -10.374 32 HB2 ASN 35 HB2 ASN 35 -8.893 7.469 -8.624 33 HB3 ASN 35 HB3 ASN 35 -9.162 7.840 -10.321 34 HD21 ASN 35 HD22 ASN 35 -11.294 7.729 -11.212 35 HD22 ASN 35 HD21 ASN 35 -12.658 7.540 -10.130 36 H ALA 36 H ALA 36 -7.459 3.593 -9.855 37 HA ALA 36 HA ALA 36 -8.466 2.440 -7.346 38 HB1 ALA 36 HB1 ALA 36 -6.126 1.712 -9.174 39 HB2 ALA 36 HB2 ALA 36 -6.675 0.746 -7.800 40 HB3 ALA 36 HB3 ALA 36 -7.751 0.977 -9.202 41 H GLU 37 H GLU 37 -5.755 4.355 -8.415 42 HA GLU 37 HA GLU 37 -4.102 4.012 -6.048 43 HB2 GLU 37 HB2 GLU 37 -2.602 5.637 -7.244 44 HB3 GLU 37 HB3 GLU 37 -2.930 4.121 -8.046 45 HG2 GLU 37 HG2 GLU 37 -4.451 6.631 -8.803 46 HG3 GLU 37 HG3 GLU 37 -2.866 6.241 -9.473 47 H LEU 38 H LEU 38 -6.522 4.940 -5.215 48 HA LEU 38 HA LEU 38 -5.920 7.725 -4.241 49 HB2 LEU 38 HB2 LEU 38 -7.817 7.367 -5.930 50 HB3 LEU 38 HB3 LEU 38 -8.699 6.556 -4.649 51 HG LEU 38 HG LEU 38 -7.725 9.452 -4.656 52 HD11 LEU 38 HD11 LEU 38 -10.522 8.252 -4.862 53 HD12 LEU 38 HD12 LEU 38 -10.117 9.984 -4.864 54 HD13 LEU 38 HD13 LEU 38 -9.596 8.952 -6.200 55 HD21 LEU 38 HD21 LEU 38 -7.799 8.776 -2.326 56 HD22 LEU 38 HD22 LEU 38 -9.222 9.747 -2.667 57 HD23 LEU 38 HD23 LEU 38 -9.384 7.983 -2.560 58 H ILE 39 H ILE 39 -8.002 4.929 -3.316 59 HA ILE 39 HA ILE 39 -8.223 5.384 -0.587 60 HB ILE 39 HB ILE 39 -8.096 2.766 -2.099 61 HG12 ILE 39 HG12 ILE 39 -10.338 4.625 -1.173 62 HG13 ILE 39 HG13 ILE 39 -9.856 4.292 -2.838 63 HG21 ILE 39 HG21 ILE 39 -9.109 3.236 0.742 64 HG22 ILE 39 HG22 ILE 39 -9.185 1.712 -0.172 65 HG23 ILE 39 HG23 ILE 39 -7.629 2.346 0.323 66 HD11 ILE 39 HD11 ILE 39 -11.239 2.411 -0.918 67 HD12 ILE 39 HD12 ILE 39 -11.860 3.097 -2.429 68 HD13 ILE 39 HD13 ILE 39 -10.549 1.892 -2.484 69 H VAL 40 H VAL 40 -5.710 3.341 -2.106 70 HA VAL 40 HA VAL 40 -4.185 2.993 0.332 71 HB VAL 40 HB VAL 40 -2.495 1.923 -1.135 72 HG11 VAL 40 HG11 VAL 40 -5.357 0.975 -1.584 73 HG12 VAL 40 HG12 VAL 40 -3.883 0.004 -1.740 74 HG13 VAL 40 HG13 VAL 40 -4.356 0.641 -0.155 75 HG21 VAL 40 HG21 VAL 40 -2.838 3.234 -3.223 76 HG22 VAL 40 HG22 VAL 40 -2.993 1.488 -3.494 77 HG23 VAL 40 HG23 VAL 40 -4.442 2.496 -3.424 78 H MET 41 H MET 41 -4.393 5.703 -1.657 79 HA MET 41 HA MET 41 -1.707 6.686 -0.806 80 HB2 MET 41 HB2 MET 41 -2.162 6.396 -3.287 81 HB3 MET 41 HB3 MET 41 -3.323 7.726 -3.162 82 HG2 MET 41 HG2 MET 41 -1.586 9.281 -2.591 83 HG3 MET 41 HG3 MET 41 -0.444 7.986 -2.212 84 HE1 MET 41 HE1 MET 41 1.438 9.247 -3.544 85 HE2 MET 41 HE2 MET 41 1.280 9.772 -5.227 86 HE3 MET 41 HE3 MET 41 0.299 10.546 -3.968 87 H ARG 42 H ARG 42 -4.770 6.802 0.176 88 HA ARG 42 HA ARG 42 -4.687 9.636 1.175 89 HB2 ARG 42 HB2 ARG 42 -6.593 9.062 -0.184 90 HB3 ARG 42 HB3 ARG 42 -6.948 7.616 0.755 91 HG2 ARG 42 HG2 ARG 42 -7.097 10.400 1.987 92 HG3 ARG 42 HG3 ARG 42 -8.389 9.719 1.027 93 HD2 ARG 42 HD2 ARG 42 -8.038 7.643 2.729 94 HD3 ARG 42 HD3 ARG 42 -7.508 8.955 3.792 95 HE ARG 42 HE ARG 42 -10.222 8.326 2.832 96 HH11 ARG 42 HH11 ARG 42 -8.352 10.864 4.349 97 HH12 ARG 42 HH12 ARG 42 -9.781 11.714 4.864 98 HH21 ARG 42 HH21 ARG 42 -11.976 9.418 3.641 99 HH22 ARG 42 HH22 ARG 42 -11.727 10.953 4.430 100 H VAL 43 H VAL 43 -5.333 6.254 2.307 101 HA VAL 43 HA VAL 43 -5.366 7.095 5.067 102 HB VAL 43 HB VAL 43 -5.385 4.792 5.699 103 HG11 VAL 43 HG11 VAL 43 -7.115 5.172 3.226 104 HG12 VAL 43 HG12 VAL 43 -7.446 4.143 4.628 105 HG13 VAL 43 HG13 VAL 43 -7.437 5.901 4.820 106 HG21 VAL 43 HG21 VAL 43 -3.850 3.632 4.292 107 HG22 VAL 43 HG22 VAL 43 -5.410 2.942 3.952 108 HG23 VAL 43 HG23 VAL 43 -4.723 4.103 2.803 109 H ILE 44 H ILE 44 -2.740 5.723 3.089 110 HA ILE 44 HA ILE 44 -0.897 5.564 5.311 111 HB ILE 44 HB ILE 44 -0.382 5.473 2.317 112 HG12 ILE 44 HG12 ILE 44 -2.028 3.828 2.888 113 HG13 ILE 44 HG13 ILE 44 -0.501 3.025 2.564 114 HG21 ILE 44 HG21 ILE 44 1.301 4.674 4.708 115 HG22 ILE 44 HG22 ILE 44 1.660 4.156 3.033 116 HG23 ILE 44 HG23 ILE 44 1.679 5.873 3.476 117 HD11 ILE 44 HD11 ILE 44 -1.665 3.557 5.349 118 HD12 ILE 44 HD12 ILE 44 -1.727 2.041 4.473 119 HD13 ILE 44 HD13 ILE 44 -0.162 2.689 4.993 120 H TRP 45 H TRP 45 -1.442 7.995 2.848 121 HA TRP 45 HA TRP 45 0.713 9.779 3.364 122 HB2 TRP 45 HB2 TRP 45 -0.674 10.086 1.435 123 HB3 TRP 45 HB3 TRP 45 -2.144 10.024 2.405 124 HD1 TRP 45 HD1 TRP 45 -2.831 12.138 3.829 125 HE1 TRP 45 HE1 TRP 45 -2.271 14.621 3.650 126 HE3 TRP 45 HE3 TRP 45 1.147 11.843 0.612 127 HZ2 TRP 45 HZ2 TRP 45 -0.354 16.293 2.266 128 HZ3 TRP 45 HZ3 TRP 45 2.317 13.910 -0.130 129 HH2 TRP 45 HH2 TRP 45 1.577 16.132 0.692 130 H SER 46 H SER 46 -2.085 8.936 5.263 131 HA SER 46 HA SER 46 -2.162 11.533 6.744 132 HB2 SER 46 HB2 SER 46 -4.088 9.861 6.253 133 HB3 SER 46 HB3 SER 46 -3.468 8.938 7.652 134 HG SER 46 HG SER 46 -3.725 10.937 8.855 135 H LEU 47 H LEU 47 -0.921 8.277 7.280 136 HA LEU 47 HA LEU 47 -0.005 8.644 10.029 137 HB2 LEU 47 HB2 LEU 47 -1.010 6.712 8.566 138 HB3 LEU 47 HB3 LEU 47 0.538 6.451 7.946 139 HG LEU 47 HG LEU 47 0.178 6.583 10.927 140 HD11 LEU 47 HD11 LEU 47 -0.533 4.286 9.084 141 HD12 LEU 47 HD12 LEU 47 -0.493 4.193 10.875 142 HD13 LEU 47 HD13 LEU 47 -1.671 5.254 10.055 143 HD21 LEU 47 HD21 LEU 47 2.451 6.392 10.008 144 HD22 LEU 47 HD22 LEU 47 1.990 4.892 10.838 145 HD23 LEU 47 HD23 LEU 47 1.943 4.973 9.052 146 H GLY 48 H GLY 48 1.681 8.191 6.814 147 HA2 GLY 48 HA2 GLY 48 3.668 9.786 6.569 148 HA3 GLY 48 HA3 GLY 48 4.243 9.036 8.037 149 H GLU 49 H GLU 49 4.600 6.599 8.018 150 HA GLU 49 HA GLU 49 5.158 5.501 5.318 151 HB2 GLU 49 HB2 GLU 49 7.304 4.879 5.862 152 HB3 GLU 49 HB3 GLU 49 7.228 6.556 6.258 153 HG2 GLU 49 HG2 GLU 49 6.703 5.085 8.677 154 HG3 GLU 49 HG3 GLU 49 8.006 4.210 7.808 155 H ALA 50 H ALA 50 4.842 3.274 5.061 156 HA ALA 50 HA ALA 50 3.678 1.857 7.432 157 HB1 ALA 50 HB1 ALA 50 2.441 2.333 4.700 158 HB2 ALA 50 HB2 ALA 50 1.781 1.244 5.930 159 HB3 ALA 50 HB3 ALA 50 1.873 2.979 6.268 160 H ARG 51 H ARG 51 3.326 -0.427 7.119 161 HA ARG 51 HA ARG 51 5.417 -1.611 5.364 162 HB2 ARG 51 HB2 ARG 51 4.553 -2.282 8.158 163 HB3 ARG 51 HB3 ARG 51 5.304 -3.533 7.147 164 HG2 ARG 51 HG2 ARG 51 7.267 -2.296 6.813 165 HG3 ARG 51 HG3 ARG 51 6.524 -0.769 7.340 166 HD2 ARG 51 HD2 ARG 51 7.277 -3.079 9.120 167 HD3 ARG 51 HD3 ARG 51 8.113 -1.538 8.953 168 HE ARG 51 HE ARG 51 5.750 -0.560 9.623 169 HH11 ARG 51 HH11 ARG 51 7.512 -3.135 11.234 170 HH12 ARG 51 HH12 ARG 51 6.600 -2.960 12.692 171 HH21 ARG 51 HH21 ARG 51 4.751 -0.253 11.606 172 HH22 ARG 51 HH22 ARG 51 5.474 -1.089 12.954 173 H VAL 52 H VAL 52 4.894 -3.925 4.582 174 HA VAL 52 HA VAL 52 2.537 -3.628 3.177 175 HB VAL 52 HB VAL 52 3.255 -5.126 1.871 176 HG11 VAL 52 HG11 VAL 52 5.280 -5.957 3.995 177 HG12 VAL 52 HG12 VAL 52 5.437 -6.226 2.235 178 HG13 VAL 52 HG13 VAL 52 5.455 -4.572 2.890 179 HG21 VAL 52 HG21 VAL 52 1.906 -6.835 2.794 180 HG22 VAL 52 HG22 VAL 52 3.447 -7.539 2.285 181 HG23 VAL 52 HG23 VAL 52 3.109 -7.229 4.035 182 H ASP 53 H ASP 53 2.709 -5.425 6.091 183 HA ASP 53 HA ASP 53 -0.079 -6.435 6.042 184 HB2 ASP 53 HB2 ASP 53 1.478 -7.770 7.167 185 HB3 ASP 53 HB3 ASP 53 2.334 -6.415 7.834 186 H GLU 54 H GLU 54 1.406 -3.418 6.644 187 HA GLU 54 HA GLU 54 -0.652 -2.391 8.473 188 HB2 GLU 54 HB2 GLU 54 1.928 -1.755 8.222 189 HB3 GLU 54 HB3 GLU 54 1.341 -0.730 6.920 190 HG2 GLU 54 HG2 GLU 54 0.493 -0.681 9.799 191 HG3 GLU 54 HG3 GLU 54 1.565 0.488 9.009 192 H ILE 55 H ILE 55 0.415 -1.850 5.068 193 HA ILE 55 HA ILE 55 -1.642 -0.027 4.372 194 HB ILE 55 HB ILE 55 -1.084 -0.603 1.993 195 HG12 ILE 55 HG12 ILE 55 0.415 -2.816 3.401 196 HG13 ILE 55 HG13 ILE 55 -0.825 -3.008 2.140 197 HG21 ILE 55 HG21 ILE 55 1.392 -0.461 3.746 198 HG22 ILE 55 HG22 ILE 55 1.221 0.114 2.060 199 HG23 ILE 55 HG23 ILE 55 0.348 0.921 3.388 200 HD11 ILE 55 HD11 ILE 55 2.010 -2.052 1.904 201 HD12 ILE 55 HD12 ILE 55 1.310 -3.581 1.323 202 HD13 ILE 55 HD13 ILE 55 0.781 -1.985 0.599 203 H TYR 56 H TYR 56 -1.823 -3.565 4.047 204 HA TYR 56 HA TYR 56 -4.397 -3.607 2.810 205 HB2 TYR 56 HB2 TYR 56 -2.874 -5.429 2.835 206 HB3 TYR 56 HB3 TYR 56 -2.771 -5.461 4.580 207 HD1 TYR 56 HD2 TYR 56 -5.613 -5.487 2.087 208 HD2 TYR 56 HD1 TYR 56 -3.782 -7.211 5.563 209 HE1 TYR 56 HE2 TYR 56 -7.591 -7.000 2.346 210 HE2 TYR 56 HE1 TYR 56 -5.761 -8.724 5.857 211 HH TYR 56 HH TYR 56 -7.808 -9.267 5.123 212 H ALA 57 H ALA 57 -3.352 -3.280 6.154 213 HA ALA 57 HA ALA 57 -5.701 -4.198 7.446 214 HB1 ALA 57 HB1 ALA 57 -3.887 -2.010 8.443 215 HB2 ALA 57 HB2 ALA 57 -4.749 -3.216 9.393 216 HB3 ALA 57 HB3 ALA 57 -3.347 -3.719 8.384 217 H GLN 58 H GLN 58 -5.217 -1.187 5.676 218 HA GLN 58 HA GLN 58 -7.549 0.007 7.044 219 HB2 GLN 58 HB2 GLN 58 -5.348 1.028 5.246 220 HB3 GLN 58 HB3 GLN 58 -6.868 1.929 5.360 221 HG2 GLN 58 HG2 GLN 58 -5.440 2.855 6.962 222 HG3 GLN 58 HG3 GLN 58 -6.705 1.943 7.815 223 HE21 GLN 58 HE22 GLN 58 -3.314 1.642 6.596 224 HE22 GLN 58 HE21 GLN 58 -2.800 0.688 7.949 225 H ILE 59 H ILE 59 -7.211 -2.122 4.618 226 HA ILE 59 HA ILE 59 -9.327 -1.150 2.820 227 HB ILE 59 HB ILE 59 -7.564 -3.591 2.722 228 HG12 ILE 59 HG12 ILE 59 -7.374 -0.812 1.433 229 HG13 ILE 59 HG13 ILE 59 -6.280 -1.466 2.658 230 HG21 ILE 59 HG21 ILE 59 -9.192 -2.344 0.498 231 HG22 ILE 59 HG22 ILE 59 -8.225 -3.839 0.451 232 HG23 ILE 59 HG23 ILE 59 -9.693 -3.784 1.418 233 HD11 ILE 59 HD11 ILE 59 -6.534 -2.359 -0.198 234 HD12 ILE 59 HD12 ILE 59 -5.139 -1.648 0.648 235 HD13 ILE 59 HD13 ILE 59 -5.683 -3.289 1.070 236 HA PRO 60 HA PRO 60 -12.066 -3.736 5.532 237 HB2 PRO 60 HB2 PRO 60 -14.366 -2.292 5.351 238 HB3 PRO 60 HB3 PRO 60 -12.966 -1.721 6.312 239 HG2 PRO 60 HG2 PRO 60 -13.681 -0.972 3.451 240 HG3 PRO 60 HG3 PRO 60 -13.347 0.131 4.826 241 HD2 PRO 60 HD2 PRO 60 -11.401 -0.538 3.058 242 HD3 PRO 60 HD3 PRO 60 -11.060 -0.372 4.805 243 H GLN 61 H GLN 61 -14.212 -4.848 5.182 244 HA GLN 61 HA GLN 61 -14.174 -6.343 2.777 245 HB2 GLN 61 HB2 GLN 61 -16.272 -6.019 4.960 246 HB3 GLN 61 HB3 GLN 61 -16.469 -7.139 3.616 247 HG2 GLN 61 HG2 GLN 61 -14.156 -7.244 5.600 248 HG3 GLN 61 HG3 GLN 61 -15.602 -8.255 5.658 249 HE21 GLN 61 HE22 GLN 61 -12.402 -8.168 4.474 250 HE22 GLN 61 HE21 GLN 61 -12.655 -9.360 3.196 251 H GLU 62 H GLU 62 -16.122 -3.426 3.477 252 HA GLU 62 HA GLU 62 -18.087 -3.717 1.477 253 HB2 GLU 62 HB2 GLU 62 -16.848 -1.127 2.507 254 HB3 GLU 62 HB3 GLU 62 -18.390 -1.292 1.653 255 HG2 GLU 62 HG2 GLU 62 -19.121 -2.866 3.532 256 HG3 GLU 62 HG3 GLU 62 -17.706 -2.315 4.428 257 H LEU 63 H LEU 63 -14.777 -3.162 0.916 258 HA LEU 63 HA LEU 63 -15.089 -1.939 -1.787 259 HB2 LEU 63 HB2 LEU 63 -12.629 -2.958 -0.301 260 HB3 LEU 63 HB3 LEU 63 -12.637 -1.980 -1.770 261 HG LEU 63 HG LEU 63 -13.532 -1.097 1.022 262 HD11 LEU 63 HD11 LEU 63 -11.127 -0.489 -0.728 263 HD12 LEU 63 HD12 LEU 63 -11.522 0.341 0.808 264 HD13 LEU 63 HD13 LEU 63 -11.196 -1.413 0.794 265 HD21 LEU 63 HD21 LEU 63 -14.893 -0.027 -0.659 266 HD22 LEU 63 HD22 LEU 63 -13.709 1.143 -0.027 267 HD23 LEU 63 HD23 LEU 63 -13.453 0.382 -1.624 268 H GLU 64 H GLU 64 -14.686 -4.910 -0.270 269 HA GLU 64 HA GLU 64 -14.534 -7.110 -0.883 270 HB2 GLU 64 HB2 GLU 64 -15.373 -6.164 -3.649 271 HB3 GLU 64 HB3 GLU 64 -15.372 -7.832 -3.076 272 HG2 GLU 64 HG2 GLU 64 -17.011 -7.308 -1.340 273 HG3 GLU 64 HG3 GLU 64 -16.974 -5.595 -1.763 274 H TRP 65 H TRP 65 -12.246 -5.067 -1.576 275 HA TRP 65 HA TRP 65 -10.507 -6.478 -3.412 276 HB2 TRP 65 HB2 TRP 65 -9.988 -4.297 -1.370 277 HB3 TRP 65 HB3 TRP 65 -8.785 -4.904 -2.495 278 HD1 TRP 65 HD1 TRP 65 -12.078 -4.496 -4.227 279 HE1 TRP 65 HE1 TRP 65 -12.210 -2.282 -5.456 280 HE3 TRP 65 HE3 TRP 65 -7.805 -2.341 -2.419 281 HZ2 TRP 65 HZ2 TRP 65 -10.589 0.103 -5.751 282 HZ3 TRP 65 HZ3 TRP 65 -7.065 -0.148 -3.269 283 HH2 TRP 65 HH2 TRP 65 -8.460 1.123 -4.902 284 H SER 66 H SER 66 -10.324 -8.628 -2.679 285 HA SER 66 HA SER 66 -9.246 -9.401 -0.148 286 HB2 SER 66 HB2 SER 66 -10.196 -10.904 -2.006 287 HB3 SER 66 HB3 SER 66 -8.605 -10.789 -2.768 288 HG SER 66 HG SER 66 -8.804 -12.591 -1.314 289 H LEU 67 H LEU 67 -7.072 -10.107 0.416 290 HA LEU 67 HA LEU 67 -5.205 -8.211 0.254 291 HB2 LEU 67 HB2 LEU 67 -5.435 -10.747 1.392 292 HB3 LEU 67 HB3 LEU 67 -3.985 -10.870 0.429 293 HG LEU 67 HG LEU 67 -4.623 -9.230 2.871 294 HD11 LEU 67 HD11 LEU 67 -2.210 -10.767 1.880 295 HD12 LEU 67 HD12 LEU 67 -2.435 -10.110 3.535 296 HD13 LEU 67 HD13 LEU 67 -3.499 -11.402 2.934 297 HD21 LEU 67 HD21 LEU 67 -3.813 -7.453 1.494 298 HD22 LEU 67 HD22 LEU 67 -2.517 -7.901 2.581 299 HD23 LEU 67 HD23 LEU 67 -2.503 -8.454 0.861 300 H ALA 68 H ALA 68 -5.528 -10.759 -2.217 301 HA ALA 68 HA ALA 68 -2.999 -10.367 -3.462 302 HB1 ALA 68 HB1 ALA 68 -5.683 -11.181 -4.693 303 HB2 ALA 68 HB2 ALA 68 -4.091 -11.379 -5.453 304 HB3 ALA 68 HB3 ALA 68 -4.477 -12.277 -3.975 305 H THR 69 H THR 69 -6.097 -8.539 -3.792 306 HA THR 69 HA THR 69 -5.392 -6.930 -6.006 307 HB THR 69 HB THR 69 -7.246 -6.314 -3.705 308 HG1 THR 69 HG1 THR 69 -8.627 -6.727 -5.712 309 HG21 THR 69 HG21 THR 69 -6.752 -4.862 -6.333 310 HG22 THR 69 HG22 THR 69 -8.244 -4.674 -5.374 311 HG23 THR 69 HG23 THR 69 -6.697 -4.168 -4.700 312 H VAL 70 H VAL 70 -4.877 -6.023 -2.439 313 HA VAL 70 HA VAL 70 -3.704 -3.578 -3.249 314 HB VAL 70 HB VAL 70 -4.552 -4.071 -0.951 315 HG11 VAL 70 HG11 VAL 70 -1.817 -5.336 -0.434 316 HG12 VAL 70 HG12 VAL 70 -3.147 -5.067 0.709 317 HG13 VAL 70 HG13 VAL 70 -3.348 -6.260 -0.573 318 HG21 VAL 70 HG21 VAL 70 -3.091 -2.159 -1.559 319 HG22 VAL 70 HG22 VAL 70 -2.859 -2.680 0.138 320 HG23 VAL 70 HG23 VAL 70 -1.674 -3.133 -1.122 321 H LYS 71 H LYS 71 -2.204 -6.686 -2.658 322 HA LYS 71 HA LYS 71 0.544 -6.128 -3.017 323 HB2 LYS 71 HB2 LYS 71 -1.285 -8.481 -3.256 324 HB3 LYS 71 HB3 LYS 71 0.155 -8.573 -4.294 325 HG2 LYS 71 HG2 LYS 71 0.764 -9.603 -2.431 326 HG3 LYS 71 HG3 LYS 71 1.391 -7.978 -2.040 327 HD2 LYS 71 HD2 LYS 71 -0.997 -7.617 -0.991 328 HD3 LYS 71 HD3 LYS 71 -1.124 -9.382 -1.093 329 HE2 LYS 71 HE2 LYS 71 -0.497 -8.677 1.006 330 HE3 LYS 71 HE3 LYS 71 0.874 -9.597 0.343 331 HZ1 LYS 71 HZ1 LYS 71 0.708 -6.685 0.672 332 HZ2 LYS 71 HZ2 LYS 71 1.736 -7.767 1.386 333 HZ3 LYS 71 HZ3 LYS 71 1.880 -7.453 -0.222 334 H THR 72 H THR 72 -1.837 -6.873 -5.597 335 HA THR 72 HA THR 72 0.161 -6.256 -7.649 336 HB THR 72 HB THR 72 -1.579 -7.769 -8.208 337 HG1 THR 72 HG1 THR 72 -2.044 -6.937 -10.158 338 HG21 THR 72 HG21 THR 72 -3.495 -5.423 -7.971 339 HG22 THR 72 HG22 THR 72 -3.865 -6.983 -8.755 340 HG23 THR 72 HG23 THR 72 -3.489 -6.930 -7.031 341 H LEU 73 H LEU 73 -2.390 -4.198 -6.110 342 HA LEU 73 HA LEU 73 -2.258 -2.109 -7.956 343 HB2 LEU 73 HB2 LEU 73 -3.939 -2.895 -6.108 344 HB3 LEU 73 HB3 LEU 73 -2.958 -1.942 -4.998 345 HG LEU 73 HG LEU 73 -4.650 -1.080 -7.381 346 HD11 LEU 73 HD11 LEU 73 -4.693 -0.381 -4.412 347 HD12 LEU 73 HD12 LEU 73 -5.854 0.171 -5.633 348 HD13 LEU 73 HD13 LEU 73 -5.758 -1.556 -5.218 349 HD21 LEU 73 HD21 LEU 73 -2.693 0.249 -7.524 350 HD22 LEU 73 HD22 LEU 73 -3.946 1.251 -6.761 351 HD23 LEU 73 HD23 LEU 73 -2.629 0.493 -5.774 352 H LEU 74 H LEU 74 -0.513 -2.613 -4.855 353 HA LEU 74 HA LEU 74 0.989 -0.214 -4.690 354 HB2 LEU 74 HB2 LEU 74 1.657 -3.144 -4.143 355 HB3 LEU 74 HB3 LEU 74 2.844 -1.870 -3.859 356 HG LEU 74 HG LEU 74 0.135 -2.055 -2.529 357 HD11 LEU 74 HD11 LEU 74 2.716 -3.317 -2.083 358 HD12 LEU 74 HD12 LEU 74 2.430 -2.170 -0.791 359 HD13 LEU 74 HD13 LEU 74 1.218 -3.462 -1.130 360 HD21 LEU 74 HD21 LEU 74 0.653 0.227 -2.692 361 HD22 LEU 74 HD22 LEU 74 1.242 -0.225 -1.078 362 HD23 LEU 74 HD23 LEU 74 2.383 -0.043 -2.458 363 H GLY 75 H GLY 75 1.718 -3.091 -6.340 364 HA2 GLY 75 HA2 GLY 75 4.193 -2.551 -7.650 365 HA3 GLY 75 HA3 GLY 75 2.970 -3.715 -8.194 366 H ARG 76 H ARG 76 1.086 -1.262 -8.261 367 HA ARG 76 HA ARG 76 1.760 -0.329 -11.039 368 HB2 ARG 76 HB2 ARG 76 -0.752 0.219 -9.444 369 HB3 ARG 76 HB3 ARG 76 -0.501 0.551 -11.145 370 HG2 ARG 76 HG2 ARG 76 -0.409 -2.294 -10.027 371 HG3 ARG 76 HG3 ARG 76 -1.876 -1.556 -10.557 372 HD2 ARG 76 HD2 ARG 76 -1.158 -1.446 -12.823 373 HD3 ARG 76 HD3 ARG 76 0.545 -1.600 -12.399 374 HE ARG 76 HE ARG 76 -1.470 -3.792 -12.464 375 HH11 ARG 76 HH11 ARG 76 1.950 -3.001 -11.864 376 HH12 ARG 76 HH12 ARG 76 2.429 -4.653 -12.148 377 HH21 ARG 76 HH21 ARG 76 -0.674 -5.795 -12.977 378 HH22 ARG 76 HH22 ARG 76 1.016 -6.162 -12.777 379 H LEU 77 H LEU 77 0.986 0.939 -7.738 380 HA LEU 77 HA LEU 77 1.376 3.684 -8.351 381 HB2 LEU 77 HB2 LEU 77 2.338 2.418 -5.759 382 HB3 LEU 77 HB3 LEU 77 1.652 4.011 -6.018 383 HG LEU 77 HG LEU 77 0.203 1.369 -6.004 384 HD11 LEU 77 HD11 LEU 77 0.116 3.738 -4.143 385 HD12 LEU 77 HD12 LEU 77 -0.732 2.173 -3.964 386 HD13 LEU 77 HD13 LEU 77 1.043 2.235 -3.890 387 HD21 LEU 77 HD21 LEU 77 -0.855 2.712 -7.634 388 HD22 LEU 77 HD22 LEU 77 -1.833 2.847 -6.155 389 HD23 LEU 77 HD23 LEU 77 -0.726 4.175 -6.620 390 H VAL 78 H VAL 78 3.618 1.377 -7.043 391 HA VAL 78 HA VAL 78 5.832 3.212 -6.973 392 HB VAL 78 HB VAL 78 6.945 1.891 -5.727 393 HG11 VAL 78 HG11 VAL 78 4.903 -0.343 -5.851 394 HG12 VAL 78 HG12 VAL 78 5.919 0.149 -4.502 395 HG13 VAL 78 HG13 VAL 78 4.572 1.182 -4.992 396 HG21 VAL 78 HG21 VAL 78 7.940 0.598 -7.604 397 HG22 VAL 78 HG22 VAL 78 7.774 -0.275 -6.085 398 HG23 VAL 78 HG23 VAL 78 6.622 -0.599 -7.423 399 H LYS 79 H LYS 79 5.019 0.881 -9.502 400 HA LYS 79 HA LYS 79 7.126 1.588 -11.286 401 HB2 LYS 79 HB2 LYS 79 4.445 0.153 -11.608 402 HB3 LYS 79 HB3 LYS 79 5.675 0.184 -12.853 403 HG2 LYS 79 HG2 LYS 79 6.080 -0.963 -10.035 404 HG3 LYS 79 HG3 LYS 79 5.694 -1.898 -11.474 405 HD2 LYS 79 HD2 LYS 79 8.158 -0.133 -11.262 406 HD3 LYS 79 HD3 LYS 79 8.134 -1.855 -10.782 407 HE2 LYS 79 HE2 LYS 79 7.083 -2.378 -13.026 408 HE3 LYS 79 HE3 LYS 79 7.381 -0.701 -13.493 409 HZ1 LYS 79 HZ1 LYS 79 9.577 -2.597 -12.764 410 HZ2 LYS 79 HZ2 LYS 79 9.056 -2.309 -14.297 411 HZ3 LYS 79 HZ3 LYS 79 9.722 -1.102 -13.418 412 H LYS 80 H LYS 80 4.545 3.374 -10.479 413 HA LYS 80 HA LYS 80 4.763 4.993 -13.020 414 HB2 LYS 80 HB2 LYS 80 2.294 4.628 -11.299 415 HB3 LYS 80 HB3 LYS 80 2.466 5.899 -12.508 416 HG2 LYS 80 HG2 LYS 80 2.883 4.132 -14.271 417 HG3 LYS 80 HG3 LYS 80 2.467 2.908 -13.054 418 HD2 LYS 80 HD2 LYS 80 0.278 4.116 -12.704 419 HD3 LYS 80 HD3 LYS 80 0.673 5.182 -14.049 420 HE2 LYS 80 HE2 LYS 80 0.401 2.144 -14.291 421 HE3 LYS 80 HE3 LYS 80 -0.927 3.282 -14.512 422 HZ1 LYS 80 HZ1 LYS 80 1.424 2.989 -16.295 423 HZ2 LYS 80 HZ2 LYS 80 -0.176 2.898 -16.640 424 HZ3 LYS 80 HZ3 LYS 80 0.481 4.327 -16.316 425 H GLU 81 H GLU 81 6.091 5.055 -10.182 426 HA GLU 81 HA GLU 81 7.323 6.590 -9.112 427 HB2 GLU 81 HB2 GLU 81 6.260 8.824 -10.846 428 HB3 GLU 81 HB3 GLU 81 7.727 8.778 -9.879 429 HG2 GLU 81 HG2 GLU 81 8.624 6.982 -11.382 430 HG3 GLU 81 HG3 GLU 81 7.240 7.246 -12.448 431 H MET 82 H MET 82 4.228 6.223 -8.559 432 HA MET 82 HA MET 82 3.378 8.692 -7.349 433 HB2 MET 82 HB2 MET 82 2.433 5.916 -6.606 434 HB3 MET 82 HB3 MET 82 1.538 7.417 -6.445 435 HG2 MET 82 HG2 MET 82 2.329 6.035 -9.022 436 HG3 MET 82 HG3 MET 82 0.734 6.009 -8.290 437 HE1 MET 82 HE1 MET 82 0.305 9.157 -7.436 438 HE2 MET 82 HE2 MET 82 -0.595 9.645 -8.886 439 HE3 MET 82 HE3 MET 82 -0.904 8.058 -8.147 440 H LEU 83 H LEU 83 5.001 5.861 -6.028 441 HA LEU 83 HA LEU 83 6.059 7.313 -3.789 442 HB2 LEU 83 HB2 LEU 83 5.066 6.436 -1.952 443 HB3 LEU 83 HB3 LEU 83 3.685 6.579 -3.009 444 HG LEU 83 HG LEU 83 5.188 4.025 -2.266 445 HD11 LEU 83 HD11 LEU 83 2.338 4.936 -1.726 446 HD12 LEU 83 HD12 LEU 83 3.061 3.389 -1.238 447 HD13 LEU 83 HD13 LEU 83 3.669 4.900 -0.548 448 HD21 LEU 83 HD21 LEU 83 4.471 3.828 -4.578 449 HD22 LEU 83 HD22 LEU 83 3.445 2.831 -3.538 450 HD23 LEU 83 HD23 LEU 83 2.844 4.406 -4.139 451 H SER 84 H SER 84 7.185 5.450 -2.228 452 HA SER 84 HA SER 84 8.559 3.498 -4.020 453 HB2 SER 84 HB2 SER 84 10.271 4.413 -1.846 454 HB3 SER 84 HB3 SER 84 10.593 4.097 -3.566 455 HG SER 84 HG SER 84 9.599 6.386 -2.215 456 H THR 85 H THR 85 9.792 1.847 -2.835 457 HA THR 85 HA THR 85 8.825 1.335 -0.127 458 HB THR 85 HB THR 85 7.231 0.391 -1.626 459 HG1 THR 85 HG1 THR 85 7.075 -1.360 -0.602 460 HG21 THR 85 HG21 THR 85 9.452 -1.293 -2.840 461 HG22 THR 85 HG22 THR 85 7.741 -1.207 -3.329 462 HG23 THR 85 HG23 THR 85 8.793 0.204 -3.589 463 H GLU 86 H GLU 86 10.251 0.076 1.189 464 HA GLU 86 HA GLU 86 12.650 -1.037 -0.128 465 HB2 GLU 86 HB2 GLU 86 12.576 0.944 2.156 466 HB3 GLU 86 HB3 GLU 86 14.016 -0.116 1.841 467 HG2 GLU 86 HG2 GLU 86 12.890 1.901 -0.196 468 HG3 GLU 86 HG3 GLU 86 14.205 2.210 0.926 469 H LYS 87 H LYS 87 13.745 -2.761 0.924 470 HA LYS 87 HA LYS 87 12.006 -4.446 2.453 471 HB2 LYS 87 HB2 LYS 87 13.673 -5.064 0.622 472 HB3 LYS 87 HB3 LYS 87 14.954 -4.793 1.815 473 HG2 LYS 87 HG2 LYS 87 13.772 -6.547 3.280 474 HG3 LYS 87 HG3 LYS 87 12.670 -6.814 1.906 475 HD2 LYS 87 HD2 LYS 87 14.845 -7.175 0.499 476 HD3 LYS 87 HD3 LYS 87 15.659 -7.264 2.088 477 HE2 LYS 87 HE2 LYS 87 14.050 -9.039 2.750 478 HE3 LYS 87 HE3 LYS 87 13.304 -8.929 1.147 479 HZ1 LYS 87 HZ1 LYS 87 16.159 -9.689 1.600 480 HZ2 LYS 87 HZ2 LYS 87 14.980 -10.786 1.311 481 HZ3 LYS 87 HZ3 LYS 87 15.418 -9.691 0.171 482 H GLU 88 H GLU 88 11.808 -4.627 4.536 483 HA GLU 88 HA GLU 88 14.125 -4.121 6.343 484 HB2 GLU 88 HB2 GLU 88 11.439 -3.055 6.502 485 HB3 GLU 88 HB3 GLU 88 11.782 -4.013 7.925 486 HG2 GLU 88 HG2 GLU 88 13.609 -1.816 6.846 487 HG3 GLU 88 HG3 GLU 88 12.431 -1.610 8.154 488 H GLY 89 H GLY 89 14.885 -6.113 5.856 489 HA2 GLY 89 HA2 GLY 89 15.412 -8.284 6.368 490 HA3 GLY 89 HA3 GLY 89 14.198 -8.233 7.651 491 H ARG 90 H ARG 90 11.889 -8.312 6.766 492 HA ARG 90 HA ARG 90 11.588 -10.358 4.575 493 HB2 ARG 90 HB2 ARG 90 11.615 -11.207 7.019 494 HB3 ARG 90 HB3 ARG 90 10.032 -10.479 7.197 495 HG2 ARG 90 HG2 ARG 90 10.767 -12.597 5.114 496 HG3 ARG 90 HG3 ARG 90 10.158 -12.952 6.723 497 HD2 ARG 90 HD2 ARG 90 8.059 -11.656 6.160 498 HD3 ARG 90 HD3 ARG 90 8.642 -11.585 4.479 499 HE ARG 90 HE ARG 90 8.769 -14.282 5.393 500 HH11 ARG 90 HH11 ARG 90 6.327 -12.024 4.306 501 HH12 ARG 90 HH12 ARG 90 5.221 -13.318 3.888 502 HH21 ARG 90 HH21 ARG 90 7.210 -15.815 5.136 503 HH22 ARG 90 HH22 ARG 90 5.869 -15.450 4.079 504 H LYS 91 H LYS 91 9.982 -7.854 6.548 505 HA LYS 91 HA LYS 91 7.761 -7.581 4.615 506 HB2 LYS 91 HB2 LYS 91 8.493 -6.281 7.266 507 HB3 LYS 91 HB3 LYS 91 7.273 -5.562 6.217 508 HG2 LYS 91 HG2 LYS 91 5.942 -7.616 6.230 509 HG3 LYS 91 HG3 LYS 91 7.135 -8.423 7.280 510 HD2 LYS 91 HD2 LYS 91 6.702 -6.826 9.080 511 HD3 LYS 91 HD3 LYS 91 5.714 -5.842 8.003 512 HE2 LYS 91 HE2 LYS 91 4.072 -6.878 9.215 513 HE3 LYS 91 HE3 LYS 91 4.151 -7.921 7.798 514 HZ1 LYS 91 HZ1 LYS 91 5.900 -8.849 9.865 515 HZ2 LYS 91 HZ2 LYS 91 4.360 -8.638 10.429 516 HZ3 LYS 91 HZ3 LYS 91 4.644 -9.630 9.160 517 H PHE 92 H PHE 92 7.286 -5.262 4.015 518 HA PHE 92 HA PHE 92 9.709 -3.829 2.983 519 HB2 PHE 92 HB2 PHE 92 7.201 -4.623 1.519 520 HB3 PHE 92 HB3 PHE 92 7.993 -3.099 1.149 521 HD1 PHE 92 HD1 PHE 92 8.626 -6.744 1.518 522 HD2 PHE 92 HD2 PHE 92 9.918 -3.009 -0.174 523 HE1 PHE 92 HE1 PHE 92 10.433 -7.938 0.259 524 HE2 PHE 92 HE2 PHE 92 11.694 -4.157 -1.434 525 HZ PHE 92 HZ PHE 92 11.966 -6.642 -1.229 526 H VAL 93 H VAL 93 9.544 -1.596 3.098 527 HA VAL 93 HA VAL 93 7.271 -0.413 4.592 528 HB VAL 93 HB VAL 93 10.069 0.729 4.236 529 HG11 VAL 93 HG11 VAL 93 7.580 1.562 5.822 530 HG12 VAL 93 HG12 VAL 93 9.176 2.308 6.041 531 HG13 VAL 93 HG13 VAL 93 8.356 2.429 4.470 532 HG21 VAL 93 HG21 VAL 93 10.194 -1.260 5.603 533 HG22 VAL 93 HG22 VAL 93 10.323 0.155 6.651 534 HG23 VAL 93 HG23 VAL 93 8.783 -0.754 6.576 535 H TYR 94 H TYR 94 5.847 0.301 3.228 536 HA TYR 94 HA TYR 94 6.551 1.530 0.609 537 HB2 TYR 94 HB2 TYR 94 3.930 0.763 1.953 538 HB3 TYR 94 HB3 TYR 94 4.042 1.609 0.430 539 HD1 TYR 94 HD1 TYR 94 4.642 -1.639 2.124 540 HD2 TYR 94 HD2 TYR 94 4.822 0.524 -1.598 541 HE1 TYR 94 HE1 TYR 94 5.020 -3.796 0.890 542 HE2 TYR 94 HE2 TYR 94 5.283 -1.620 -2.810 543 HH TYR 94 HH TYR 94 5.756 -4.702 -1.120 544 H ARG 95 H ARG 95 7.158 3.514 0.733 545 HA ARG 95 HA ARG 95 5.701 5.504 2.427 546 HB2 ARG 95 HB2 ARG 95 7.780 6.308 3.407 547 HB3 ARG 95 HB3 ARG 95 7.551 4.602 3.736 548 HG2 ARG 95 HG2 ARG 95 9.250 3.959 2.149 549 HG3 ARG 95 HG3 ARG 95 9.351 5.617 1.519 550 HD2 ARG 95 HD2 ARG 95 10.032 6.392 3.834 551 HD3 ARG 95 HD3 ARG 95 10.021 4.708 4.358 552 HE ARG 95 HE ARG 95 12.186 4.615 3.616 553 HH11 ARG 95 HH11 ARG 95 10.672 7.027 1.499 554 HH12 ARG 95 HH12 ARG 95 12.256 7.513 0.926 555 HH21 ARG 95 HH21 ARG 95 14.012 5.284 2.829 556 HH22 ARG 95 HH22 ARG 95 14.039 6.546 1.578 557 HA PRO 96 HA PRO 96 6.203 8.345 -0.921 558 HB2 PRO 96 HB2 PRO 96 6.566 10.798 0.295 559 HB3 PRO 96 HB3 PRO 96 5.013 9.913 0.239 560 HG2 PRO 96 HG2 PRO 96 7.070 9.942 2.471 561 HG3 PRO 96 HG3 PRO 96 5.294 10.198 2.593 562 HD2 PRO 96 HD2 PRO 96 6.378 7.803 3.118 563 HD3 PRO 96 HD3 PRO 96 4.849 7.902 2.224 564 H LEU 97 H LEU 97 7.589 10.189 -1.730 565 HA LEU 97 HA LEU 97 10.472 9.496 -1.637 566 HB2 LEU 97 HB2 LEU 97 8.640 10.977 -3.565 567 HB3 LEU 97 HB3 LEU 97 10.347 11.271 -3.609 568 HG LEU 97 HG LEU 97 9.754 9.750 -5.328 569 HD11 LEU 97 HD11 LEU 97 11.383 8.315 -3.205 570 HD12 LEU 97 HD12 LEU 97 11.429 8.063 -4.959 571 HD13 LEU 97 HD13 LEU 97 11.976 9.605 -4.277 572 HD21 LEU 97 HD21 LEU 97 7.846 8.611 -4.494 573 HD22 LEU 97 HD22 LEU 97 9.111 7.368 -4.759 574 HD23 LEU 97 HD23 LEU 97 8.764 7.916 -3.133 575 H MET 98 H MET 98 11.780 11.784 -2.083 576 HA MET 98 HA MET 98 11.100 13.538 0.246 577 HB2 MET 98 HB2 MET 98 12.561 11.542 0.802 578 HB3 MET 98 HB3 MET 98 13.824 12.264 -0.203 579 HG2 MET 98 HG2 MET 98 13.925 14.205 1.289 580 HG3 MET 98 HG3 MET 98 12.522 13.617 2.192 581 HE1 MET 98 HE1 MET 98 13.681 13.858 4.484 582 HE2 MET 98 HE2 MET 98 15.295 13.232 4.872 583 HE3 MET 98 HE3 MET 98 15.113 14.543 3.686 584 H GLU 99 H GLU 99 12.378 13.512 -2.986 585 HA GLU 99 HA GLU 99 12.735 16.436 -2.867 586 HB2 GLU 99 HB2 GLU 99 14.808 14.611 -4.167 587 HB3 GLU 99 HB3 GLU 99 14.764 16.373 -4.207 588 HG2 GLU 99 HG2 GLU 99 14.932 16.268 -1.633 589 HG3 GLU 99 HG3 GLU 99 15.370 14.571 -1.837 Start of MODEL 7 1 H PHE 31 H1 PHE 31 -21.663 11.846 -16.625 2 HA PHE 31 HA PHE 31 -19.585 12.572 -14.662 3 HB2 PHE 31 HB2 PHE 31 -20.760 11.068 -13.092 4 HB3 PHE 31 HB3 PHE 31 -21.702 12.489 -13.512 5 HD1 PHE 31 HD1 PHE 31 -21.387 8.793 -14.088 6 HD2 PHE 31 HD2 PHE 31 -23.862 12.306 -14.572 7 HE1 PHE 31 HE1 PHE 31 -23.272 7.367 -14.837 8 HE2 PHE 31 HE2 PHE 31 -25.729 10.869 -15.340 9 HZ PHE 31 HZ PHE 31 -25.439 8.411 -15.492 10 H ASN 32 H ASN 32 -18.183 10.771 -14.019 11 HA ASN 32 HA ASN 32 -18.255 8.360 -15.752 12 HB2 ASN 32 HB2 ASN 32 -16.049 10.463 -15.646 13 HB3 ASN 32 HB3 ASN 32 -15.678 8.788 -16.038 14 HD21 ASN 32 HD22 ASN 32 -15.808 8.181 -18.160 15 HD22 ASN 32 HD21 ASN 32 -16.578 9.179 -19.381 16 H VAL 33 H VAL 33 -16.870 6.661 -15.080 17 HA VAL 33 HA VAL 33 -15.523 6.849 -12.455 18 HB VAL 33 HB VAL 33 -17.707 5.768 -12.079 19 HG11 VAL 33 HG11 VAL 33 -16.751 3.523 -13.905 20 HG12 VAL 33 HG12 VAL 33 -18.222 3.543 -12.921 21 HG13 VAL 33 HG13 VAL 33 -18.063 4.667 -14.278 22 HG21 VAL 33 HG21 VAL 33 -15.736 5.172 -10.698 23 HG22 VAL 33 HG22 VAL 33 -16.912 3.853 -10.848 24 HG23 VAL 33 HG23 VAL 33 -15.408 3.797 -11.782 25 H SER 34 H SER 34 -13.590 5.782 -12.379 26 HA SER 34 HA SER 34 -12.486 3.928 -14.207 27 HB2 SER 34 HB2 SER 34 -12.694 6.100 -15.659 28 HB3 SER 34 HB3 SER 34 -11.400 6.739 -14.634 29 HG SER 34 HG SER 34 -10.708 5.741 -16.580 30 H ASN 35 H ASN 35 -9.895 4.290 -13.922 31 HA ASN 35 HA ASN 35 -8.033 4.327 -12.661 32 HB2 ASN 35 HB2 ASN 35 -9.446 6.436 -11.002 33 HB3 ASN 35 HB3 ASN 35 -7.727 6.121 -11.025 34 HD21 ASN 35 HD22 ASN 35 -8.909 8.651 -11.618 35 HD22 ASN 35 HD21 ASN 35 -8.422 8.983 -13.284 36 H ALA 36 H ALA 36 -6.958 3.330 -11.039 37 HA ALA 36 HA ALA 36 -8.511 1.756 -9.047 38 HB1 ALA 36 HB1 ALA 36 -5.523 1.752 -9.657 39 HB2 ALA 36 HB2 ALA 36 -6.415 0.641 -8.594 40 HB3 ALA 36 HB3 ALA 36 -6.721 0.620 -10.339 41 H GLU 37 H GLU 37 -6.320 4.505 -9.269 42 HA GLU 37 HA GLU 37 -5.624 4.518 -6.473 43 HB2 GLU 37 HB2 GLU 37 -4.588 6.737 -6.983 44 HB3 GLU 37 HB3 GLU 37 -3.942 5.323 -7.788 45 HG2 GLU 37 HG2 GLU 37 -5.966 7.066 -9.232 46 HG3 GLU 37 HG3 GLU 37 -4.279 7.565 -9.100 47 H LEU 38 H LEU 38 -7.519 4.486 -5.360 48 HA LEU 38 HA LEU 38 -8.648 7.206 -4.884 49 HB2 LEU 38 HB2 LEU 38 -10.198 5.611 -6.073 50 HB3 LEU 38 HB3 LEU 38 -10.178 4.582 -4.653 51 HG LEU 38 HG LEU 38 -11.142 6.523 -3.323 52 HD11 LEU 38 HD11 LEU 38 -11.386 7.798 -6.088 53 HD12 LEU 38 HD12 LEU 38 -12.201 8.378 -4.618 54 HD13 LEU 38 HD13 LEU 38 -10.446 8.428 -4.717 55 HD21 LEU 38 HD21 LEU 38 -12.598 4.756 -4.253 56 HD22 LEU 38 HD22 LEU 38 -13.407 6.337 -4.278 57 HD23 LEU 38 HD23 LEU 38 -12.729 5.666 -5.776 58 H ILE 39 H ILE 39 -9.658 4.656 -2.713 59 HA ILE 39 HA ILE 39 -8.939 5.924 -0.382 60 HB ILE 39 HB ILE 39 -9.441 3.066 -1.065 61 HG12 ILE 39 HG12 ILE 39 -10.883 4.799 0.965 62 HG13 ILE 39 HG13 ILE 39 -11.136 5.116 -0.757 63 HG21 ILE 39 HG21 ILE 39 -8.666 4.023 1.720 64 HG22 ILE 39 HG22 ILE 39 -9.500 2.504 1.395 65 HG23 ILE 39 HG23 ILE 39 -7.868 2.748 0.766 66 HD11 ILE 39 HD11 ILE 39 -11.494 2.327 0.372 67 HD12 ILE 39 HD12 ILE 39 -12.795 3.550 0.356 68 HD13 ILE 39 HD13 ILE 39 -12.066 3.013 -1.165 69 H VAL 40 H VAL 40 -6.733 3.743 -2.179 70 HA VAL 40 HA VAL 40 -4.717 3.575 -0.214 71 HB VAL 40 HB VAL 40 -3.139 2.985 -1.923 72 HG11 VAL 40 HG11 VAL 40 -5.861 1.758 -2.548 73 HG12 VAL 40 HG12 VAL 40 -4.272 1.027 -2.816 74 HG13 VAL 40 HG13 VAL 40 -4.835 1.324 -1.160 75 HG21 VAL 40 HG21 VAL 40 -3.711 4.582 -3.721 76 HG22 VAL 40 HG22 VAL 40 -3.684 2.916 -4.300 77 HG23 VAL 40 HG23 VAL 40 -5.242 3.721 -4.003 78 H MET 41 H MET 41 -5.455 6.364 -2.246 79 HA MET 41 HA MET 41 -2.917 7.718 -1.943 80 HB2 MET 41 HB2 MET 41 -5.691 8.843 -2.527 81 HB3 MET 41 HB3 MET 41 -4.162 9.701 -2.706 82 HG2 MET 41 HG2 MET 41 -3.445 8.042 -4.429 83 HG3 MET 41 HG3 MET 41 -5.016 7.246 -4.277 84 HE1 MET 41 HE1 MET 41 -2.995 10.219 -5.764 85 HE2 MET 41 HE2 MET 41 -4.261 11.375 -6.236 86 HE3 MET 41 HE3 MET 41 -3.902 11.113 -4.517 87 H ARG 42 H ARG 42 -5.509 7.213 0.257 88 HA ARG 42 HA ARG 42 -4.754 9.573 1.944 89 HB2 ARG 42 HB2 ARG 42 -7.296 8.184 1.257 90 HB3 ARG 42 HB3 ARG 42 -7.136 8.561 2.962 91 HG2 ARG 42 HG2 ARG 42 -6.660 10.680 0.827 92 HG3 ARG 42 HG3 ARG 42 -8.261 10.286 1.446 93 HD2 ARG 42 HD2 ARG 42 -7.392 10.718 3.808 94 HD3 ARG 42 HD3 ARG 42 -5.889 11.300 3.077 95 HE ARG 42 HE ARG 42 -6.934 13.332 2.707 96 HH11 ARG 42 HH11 ARG 42 -9.556 11.009 3.031 97 HH12 ARG 42 HH12 ARG 42 -10.757 12.253 2.762 98 HH21 ARG 42 HH21 ARG 42 -8.447 14.791 2.584 99 HH22 ARG 42 HH22 ARG 42 -10.147 14.365 2.647 100 H VAL 43 H VAL 43 -5.451 6.032 2.340 101 HA VAL 43 HA VAL 43 -4.911 5.932 5.112 102 HB VAL 43 HB VAL 43 -5.683 3.912 4.501 103 HG11 VAL 43 HG11 VAL 43 -3.965 3.937 1.995 104 HG12 VAL 43 HG12 VAL 43 -4.927 2.540 2.537 105 HG13 VAL 43 HG13 VAL 43 -5.739 4.041 2.140 106 HG21 VAL 43 HG21 VAL 43 -3.505 3.507 5.707 107 HG22 VAL 43 HG22 VAL 43 -4.043 2.132 4.706 108 HG23 VAL 43 HG23 VAL 43 -2.741 3.198 4.163 109 H ILE 44 H ILE 44 -2.477 5.295 2.577 110 HA ILE 44 HA ILE 44 -0.354 5.026 4.451 111 HB ILE 44 HB ILE 44 -0.373 5.544 1.449 112 HG12 ILE 44 HG12 ILE 44 -0.016 2.963 3.028 113 HG13 ILE 44 HG13 ILE 44 -1.563 3.460 2.384 114 HG21 ILE 44 HG21 ILE 44 1.871 4.734 3.345 115 HG22 ILE 44 HG22 ILE 44 1.981 4.581 1.570 116 HG23 ILE 44 HG23 ILE 44 1.784 6.172 2.321 117 HD11 ILE 44 HD11 ILE 44 0.873 2.793 0.703 118 HD12 ILE 44 HD12 ILE 44 -0.669 1.921 0.809 119 HD13 ILE 44 HD13 ILE 44 -0.626 3.532 0.078 120 H TRP 45 H TRP 45 -1.470 7.742 2.583 121 HA TRP 45 HA TRP 45 0.717 9.590 2.964 122 HB2 TRP 45 HB2 TRP 45 -1.012 9.880 1.265 123 HB3 TRP 45 HB3 TRP 45 -2.274 9.957 2.488 124 HD1 TRP 45 HD1 TRP 45 -2.375 12.176 4.015 125 HE1 TRP 45 HE1 TRP 45 -1.514 14.557 3.681 126 HE3 TRP 45 HE3 TRP 45 0.704 11.361 0.008 127 HZ2 TRP 45 HZ2 TRP 45 0.218 15.967 1.843 128 HZ3 TRP 45 HZ3 TRP 45 1.931 13.260 -1.032 129 HH2 TRP 45 HH2 TRP 45 1.728 15.542 -0.104 130 H SER 46 H SER 46 -1.934 8.625 4.947 131 HA SER 46 HA SER 46 -1.784 10.957 6.801 132 HB2 SER 46 HB2 SER 46 -3.937 9.987 6.063 133 HB3 SER 46 HB3 SER 46 -3.538 8.480 6.970 134 HG SER 46 HG SER 46 -4.776 9.904 8.260 135 H LEU 47 H LEU 47 -1.104 7.488 6.784 136 HA LEU 47 HA LEU 47 0.064 7.194 9.348 137 HB2 LEU 47 HB2 LEU 47 -0.205 5.837 6.686 138 HB3 LEU 47 HB3 LEU 47 1.291 5.433 7.482 139 HG LEU 47 HG LEU 47 -1.277 5.395 9.098 140 HD11 LEU 47 HD11 LEU 47 -0.362 3.169 7.243 141 HD12 LEU 47 HD12 LEU 47 -1.607 3.040 8.505 142 HD13 LEU 47 HD13 LEU 47 -1.865 4.136 7.136 143 HD21 LEU 47 HD21 LEU 47 1.025 5.257 10.005 144 HD22 LEU 47 HD22 LEU 47 0.045 3.759 10.325 145 HD23 LEU 47 HD23 LEU 47 1.300 3.799 9.047 146 H GLY 48 H GLY 48 1.618 7.496 6.265 147 HA2 GLY 48 HA2 GLY 48 3.295 9.260 5.711 148 HA3 GLY 48 HA3 GLY 48 3.949 9.060 7.347 149 H GLU 49 H GLU 49 3.769 6.231 7.460 150 HA GLU 49 HA GLU 49 5.278 4.991 5.267 151 HB2 GLU 49 HB2 GLU 49 7.007 5.750 6.779 152 HB3 GLU 49 HB3 GLU 49 6.068 5.237 8.205 153 HG2 GLU 49 HG2 GLU 49 6.332 2.866 7.050 154 HG3 GLU 49 HG3 GLU 49 7.760 3.723 6.418 155 H ALA 50 H ALA 50 4.435 2.961 4.971 156 HA ALA 50 HA ALA 50 3.106 1.588 7.276 157 HB1 ALA 50 HB1 ALA 50 1.959 1.824 4.466 158 HB2 ALA 50 HB2 ALA 50 1.269 0.877 5.808 159 HB3 ALA 50 HB3 ALA 50 1.341 2.650 5.903 160 H ARG 51 H ARG 51 2.904 -0.787 6.864 161 HA ARG 51 HA ARG 51 5.106 -1.811 5.132 162 HB2 ARG 51 HB2 ARG 51 3.809 -3.309 7.457 163 HB3 ARG 51 HB3 ARG 51 5.148 -3.797 6.453 164 HG2 ARG 51 HG2 ARG 51 6.127 -3.146 8.461 165 HG3 ARG 51 HG3 ARG 51 6.455 -1.838 7.339 166 HD2 ARG 51 HD2 ARG 51 4.618 -0.506 8.402 167 HD3 ARG 51 HD3 ARG 51 4.319 -1.859 9.502 168 HE ARG 51 HE ARG 51 6.573 0.107 9.447 169 HH11 ARG 51 HH11 ARG 51 4.954 -2.293 11.562 170 HH12 ARG 51 HH12 ARG 51 6.249 -2.119 12.701 171 HH21 ARG 51 HH21 ARG 51 7.832 0.426 11.175 172 HH22 ARG 51 HH22 ARG 51 7.650 -0.631 12.573 173 H VAL 52 H VAL 52 4.543 -3.962 3.911 174 HA VAL 52 HA VAL 52 2.170 -3.509 2.464 175 HB VAL 52 HB VAL 52 3.200 -4.657 1.014 176 HG11 VAL 52 HG11 VAL 52 4.790 -6.035 3.234 177 HG12 VAL 52 HG12 VAL 52 5.191 -6.104 1.502 178 HG13 VAL 52 HG13 VAL 52 5.282 -4.566 2.367 179 HG21 VAL 52 HG21 VAL 52 1.584 -6.445 1.387 180 HG22 VAL 52 HG22 VAL 52 3.158 -7.102 0.907 181 HG23 VAL 52 HG23 VAL 52 2.662 -7.163 2.623 182 H ASP 53 H ASP 53 2.645 -5.719 5.056 183 HA ASP 53 HA ASP 53 -0.036 -6.925 5.088 184 HB2 ASP 53 HB2 ASP 53 1.694 -8.289 5.784 185 HB3 ASP 53 HB3 ASP 53 2.613 -6.990 6.485 186 H GLU 54 H GLU 54 1.267 -3.889 6.031 187 HA GLU 54 HA GLU 54 -0.676 -3.364 8.218 188 HB2 GLU 54 HB2 GLU 54 1.908 -2.385 7.419 189 HB3 GLU 54 HB3 GLU 54 0.810 -1.066 7.243 190 HG2 GLU 54 HG2 GLU 54 1.502 -2.769 9.702 191 HG3 GLU 54 HG3 GLU 54 1.916 -1.078 9.445 192 H ILE 55 H ILE 55 0.169 -2.188 4.951 193 HA ILE 55 HA ILE 55 -1.982 -0.276 4.688 194 HB ILE 55 HB ILE 55 -1.651 -0.564 2.223 195 HG12 ILE 55 HG12 ILE 55 0.260 -2.672 3.228 196 HG13 ILE 55 HG13 ILE 55 -1.112 -2.944 2.122 197 HG21 ILE 55 HG21 ILE 55 0.985 -0.372 3.716 198 HG22 ILE 55 HG22 ILE 55 0.571 0.385 2.163 199 HG23 ILE 55 HG23 ILE 55 -0.224 0.920 3.681 200 HD11 ILE 55 HD11 ILE 55 1.491 -1.601 1.528 201 HD12 ILE 55 HD12 ILE 55 0.801 -3.106 0.891 202 HD13 ILE 55 HD13 ILE 55 0.041 -1.529 0.470 203 H TYR 56 H TYR 56 -1.861 -3.801 3.659 204 HA TYR 56 HA TYR 56 -4.602 -4.031 3.097 205 HB2 TYR 56 HB2 TYR 56 -2.853 -5.587 2.526 206 HB3 TYR 56 HB3 TYR 56 -2.498 -5.913 4.208 207 HD1 TYR 56 HD2 TYR 56 -5.505 -5.894 1.963 208 HD2 TYR 56 HD1 TYR 56 -3.251 -7.884 4.995 209 HE1 TYR 56 HE2 TYR 56 -7.255 -7.691 2.026 210 HE2 TYR 56 HE1 TYR 56 -5.097 -9.602 5.254 211 HH TYR 56 HH TYR 56 -7.055 -10.373 4.417 212 H ALA 57 H ALA 57 -2.952 -4.089 6.230 213 HA ALA 57 HA ALA 57 -5.194 -5.076 7.767 214 HB1 ALA 57 HB1 ALA 57 -3.111 -3.138 8.808 215 HB2 ALA 57 HB2 ALA 57 -4.025 -4.346 9.696 216 HB3 ALA 57 HB3 ALA 57 -2.761 -4.882 8.555 217 H GLN 58 H GLN 58 -4.444 -1.908 6.362 218 HA GLN 58 HA GLN 58 -6.539 -0.570 7.828 219 HB2 GLN 58 HB2 GLN 58 -4.269 0.071 6.033 220 HB3 GLN 58 HB3 GLN 58 -5.724 0.941 5.593 221 HG2 GLN 58 HG2 GLN 58 -4.640 2.321 7.028 222 HG3 GLN 58 HG3 GLN 58 -5.968 1.635 7.970 223 HE21 GLN 58 HE22 GLN 58 -3.092 -0.439 7.660 224 HE22 GLN 58 HE21 GLN 58 -2.341 0.088 9.138 225 H ILE 59 H ILE 59 -6.583 -2.699 5.184 226 HA ILE 59 HA ILE 59 -9.020 -1.596 3.943 227 HB ILE 59 HB ILE 59 -7.079 -3.714 3.027 228 HG12 ILE 59 HG12 ILE 59 -7.450 -0.786 2.186 229 HG13 ILE 59 HG13 ILE 59 -6.127 -1.418 3.180 230 HG21 ILE 59 HG21 ILE 59 -9.416 -2.328 1.649 231 HG22 ILE 59 HG22 ILE 59 -8.247 -3.462 0.859 232 HG23 ILE 59 HG23 ILE 59 -9.335 -4.044 2.106 233 HD11 ILE 59 HD11 ILE 59 -6.631 -2.079 0.291 234 HD12 ILE 59 HD12 ILE 59 -5.265 -1.212 1.021 235 HD13 ILE 59 HD13 ILE 59 -5.492 -2.950 1.354 236 HA PRO 60 HA PRO 60 -10.724 -5.198 6.334 237 HB2 PRO 60 HB2 PRO 60 -12.739 -4.003 7.685 238 HB3 PRO 60 HB3 PRO 60 -11.073 -3.775 8.154 239 HG2 PRO 60 HG2 PRO 60 -12.748 -1.891 6.558 240 HG3 PRO 60 HG3 PRO 60 -11.717 -1.509 7.888 241 HD2 PRO 60 HD2 PRO 60 -10.914 -1.250 5.219 242 HD3 PRO 60 HD3 PRO 60 -9.778 -1.634 6.645 243 H GLN 61 H GLN 61 -12.683 -2.724 4.588 244 HA GLN 61 HA GLN 61 -14.324 -4.677 3.224 245 HB2 GLN 61 HB2 GLN 61 -15.042 -3.597 5.791 246 HB3 GLN 61 HB3 GLN 61 -16.146 -2.980 4.618 247 HG2 GLN 61 HG2 GLN 61 -15.426 -5.930 4.527 248 HG3 GLN 61 HG3 GLN 61 -16.498 -5.302 5.911 249 HE21 GLN 61 HE22 GLN 61 -16.684 -6.535 2.687 250 HE22 GLN 61 HE21 GLN 61 -18.304 -5.886 2.312 251 H GLU 62 H GLU 62 -13.385 -1.330 3.564 252 HA GLU 62 HA GLU 62 -15.471 -0.046 2.115 253 HB2 GLU 62 HB2 GLU 62 -12.457 0.653 1.886 254 HB3 GLU 62 HB3 GLU 62 -13.844 1.691 1.602 255 HG2 GLU 62 HG2 GLU 62 -14.491 1.440 4.015 256 HG3 GLU 62 HG3 GLU 62 -12.993 0.554 4.266 257 H LEU 63 H LEU 63 -12.675 -1.756 0.721 258 HA LEU 63 HA LEU 63 -13.427 -1.188 -2.097 259 HB2 LEU 63 HB2 LEU 63 -11.058 -2.561 -0.765 260 HB3 LEU 63 HB3 LEU 63 -11.171 -2.162 -2.468 261 HG LEU 63 HG LEU 63 -11.262 -0.086 -0.210 262 HD11 LEU 63 HD11 LEU 63 -8.986 -0.750 -2.048 263 HD12 LEU 63 HD12 LEU 63 -9.052 0.479 -0.741 264 HD13 LEU 63 HD13 LEU 63 -9.139 -1.259 -0.352 265 HD21 LEU 63 HD21 LEU 63 -12.432 0.689 -2.095 266 HD22 LEU 63 HD22 LEU 63 -10.812 1.423 -2.210 267 HD23 LEU 63 HD23 LEU 63 -11.233 0.028 -3.239 268 H GLU 64 H GLU 64 -13.519 -3.626 0.168 269 HA GLU 64 HA GLU 64 -14.166 -5.857 0.264 270 HB2 GLU 64 HB2 GLU 64 -15.748 -5.263 -2.263 271 HB3 GLU 64 HB3 GLU 64 -15.980 -6.607 -1.142 272 HG2 GLU 64 HG2 GLU 64 -16.383 -4.967 0.695 273 HG3 GLU 64 HG3 GLU 64 -16.294 -3.649 -0.490 274 H TRP 65 H TRP 65 -11.728 -5.049 -1.380 275 HA TRP 65 HA TRP 65 -11.339 -7.202 -3.284 276 HB2 TRP 65 HB2 TRP 65 -9.450 -5.112 -2.138 277 HB3 TRP 65 HB3 TRP 65 -9.044 -6.216 -3.436 278 HD1 TRP 65 HD1 TRP 65 -12.158 -5.533 -4.722 279 HE1 TRP 65 HE1 TRP 65 -12.298 -3.454 -6.187 280 HE3 TRP 65 HE3 TRP 65 -7.916 -3.160 -3.157 281 HZ2 TRP 65 HZ2 TRP 65 -10.711 -1.089 -6.727 282 HZ3 TRP 65 HZ3 TRP 65 -7.311 -0.942 -4.097 283 HH2 TRP 65 HH2 TRP 65 -8.639 0.079 -5.924 284 H SER 66 H SER 66 -9.889 -8.809 -3.292 285 HA SER 66 HA SER 66 -8.960 -10.126 -0.895 286 HB2 SER 66 HB2 SER 66 -7.911 -11.659 -2.542 287 HB3 SER 66 HB3 SER 66 -9.611 -11.334 -2.937 288 HG SER 66 HG SER 66 -8.581 -11.040 -4.840 289 H LEU 67 H LEU 67 -6.793 -10.372 -0.142 290 HA LEU 67 HA LEU 67 -5.055 -8.346 -0.064 291 HB2 LEU 67 HB2 LEU 67 -5.356 -10.717 1.112 292 HB3 LEU 67 HB3 LEU 67 -4.101 -11.195 0.001 293 HG LEU 67 HG LEU 67 -4.032 -9.711 2.502 294 HD11 LEU 67 HD11 LEU 67 -1.908 -10.992 0.844 295 HD12 LEU 67 HD12 LEU 67 -1.774 -10.522 2.584 296 HD13 LEU 67 HD13 LEU 67 -2.932 -11.778 2.063 297 HD21 LEU 67 HD21 LEU 67 -3.579 -7.707 1.163 298 HD22 LEU 67 HD22 LEU 67 -2.181 -8.187 2.107 299 HD23 LEU 67 HD23 LEU 67 -2.274 -8.542 0.348 300 H ALA 68 H ALA 68 -4.994 -10.910 -2.566 301 HA ALA 68 HA ALA 68 -2.493 -10.318 -3.730 302 HB1 ALA 68 HB1 ALA 68 -5.062 -11.273 -5.047 303 HB2 ALA 68 HB2 ALA 68 -3.431 -11.393 -5.739 304 HB3 ALA 68 HB3 ALA 68 -3.839 -12.306 -4.272 305 H THR 69 H THR 69 -5.589 -8.610 -4.023 306 HA THR 69 HA THR 69 -4.954 -7.052 -6.324 307 HB THR 69 HB THR 69 -6.929 -6.324 -4.146 308 HG1 THR 69 HG1 THR 69 -7.561 -8.268 -4.932 309 HG21 THR 69 HG21 THR 69 -6.582 -5.564 -7.079 310 HG22 THR 69 HG22 THR 69 -8.024 -5.177 -6.102 311 HG23 THR 69 HG23 THR 69 -6.445 -4.472 -5.689 312 H VAL 70 H VAL 70 -4.988 -5.888 -2.789 313 HA VAL 70 HA VAL 70 -3.986 -3.430 -3.524 314 HB VAL 70 HB VAL 70 -4.907 -3.988 -1.230 315 HG11 VAL 70 HG11 VAL 70 -2.086 -4.992 -0.568 316 HG12 VAL 70 HG12 VAL 70 -3.510 -4.904 0.482 317 HG13 VAL 70 HG13 VAL 70 -3.487 -6.074 -0.840 318 HG21 VAL 70 HG21 VAL 70 -3.668 -1.923 -1.698 319 HG22 VAL 70 HG22 VAL 70 -3.356 -2.490 -0.029 320 HG23 VAL 70 HG23 VAL 70 -2.132 -2.722 -1.297 321 H LYS 71 H LYS 71 -2.060 -6.270 -2.743 322 HA LYS 71 HA LYS 71 0.526 -5.076 -2.851 323 HB2 LYS 71 HB2 LYS 71 -0.319 -7.929 -3.543 324 HB3 LYS 71 HB3 LYS 71 1.342 -7.383 -3.256 325 HG2 LYS 71 HG2 LYS 71 0.662 -6.632 -0.991 326 HG3 LYS 71 HG3 LYS 71 -0.931 -7.374 -1.232 327 HD2 LYS 71 HD2 LYS 71 0.176 -9.543 -1.735 328 HD3 LYS 71 HD3 LYS 71 1.747 -8.811 -1.385 329 HE2 LYS 71 HE2 LYS 71 0.737 -8.236 0.983 330 HE3 LYS 71 HE3 LYS 71 -0.538 -9.285 0.570 331 HZ1 LYS 71 HZ1 LYS 71 2.284 -10.213 0.512 332 HZ2 LYS 71 HZ2 LYS 71 1.262 -10.476 1.778 333 HZ3 LYS 71 HZ3 LYS 71 0.965 -11.144 0.310 334 H THR 72 H THR 72 -1.376 -6.540 -5.457 335 HA THR 72 HA THR 72 0.616 -5.832 -7.475 336 HB THR 72 HB THR 72 -0.911 -7.604 -7.976 337 HG1 THR 72 HG1 THR 72 -0.747 -7.130 -9.982 338 HG21 THR 72 HG21 THR 72 -3.024 -5.422 -8.229 339 HG22 THR 72 HG22 THR 72 -3.158 -7.071 -8.904 340 HG23 THR 72 HG23 THR 72 -3.023 -6.827 -7.157 341 H LEU 73 H LEU 73 -2.240 -3.958 -6.216 342 HA LEU 73 HA LEU 73 -2.156 -1.989 -8.268 343 HB2 LEU 73 HB2 LEU 73 -4.000 -2.820 -6.715 344 HB3 LEU 73 HB3 LEU 73 -3.234 -1.916 -5.415 345 HG LEU 73 HG LEU 73 -4.491 -0.811 -7.973 346 HD11 LEU 73 HD11 LEU 73 -5.215 -0.638 -5.017 347 HD12 LEU 73 HD12 LEU 73 -6.125 0.110 -6.351 348 HD13 LEU 73 HD13 LEU 73 -6.026 -1.662 -6.222 349 HD21 LEU 73 HD21 LEU 73 -2.749 0.699 -7.470 350 HD22 LEU 73 HD22 LEU 73 -4.168 1.408 -6.697 351 HD23 LEU 73 HD23 LEU 73 -2.959 0.499 -5.717 352 H LEU 74 H LEU 74 -0.722 -2.235 -5.006 353 HA LEU 74 HA LEU 74 0.717 0.216 -4.788 354 HB2 LEU 74 HB2 LEU 74 1.399 -2.676 -4.132 355 HB3 LEU 74 HB3 LEU 74 2.523 -1.369 -3.823 356 HG LEU 74 HG LEU 74 -0.222 -1.650 -2.610 357 HD11 LEU 74 HD11 LEU 74 2.003 -1.693 -0.789 358 HD12 LEU 74 HD12 LEU 74 0.896 -3.057 -1.255 359 HD13 LEU 74 HD13 LEU 74 2.424 -2.785 -2.093 360 HD21 LEU 74 HD21 LEU 74 0.233 0.637 -2.801 361 HD22 LEU 74 HD22 LEU 74 0.753 0.242 -1.140 362 HD23 LEU 74 HD23 LEU 74 1.953 0.431 -2.465 363 H GLY 75 H GLY 75 1.521 -2.769 -6.282 364 HA2 GLY 75 HA2 GLY 75 4.092 -2.245 -7.388 365 HA3 GLY 75 HA3 GLY 75 2.921 -3.421 -8.026 366 H ARG 76 H ARG 76 1.010 -1.038 -8.339 367 HA ARG 76 HA ARG 76 1.836 -0.243 -11.100 368 HB2 ARG 76 HB2 ARG 76 -0.737 0.499 -9.687 369 HB3 ARG 76 HB3 ARG 76 -0.388 0.653 -11.391 370 HG2 ARG 76 HG2 ARG 76 -0.529 -2.078 -10.057 371 HG3 ARG 76 HG3 ARG 76 -1.957 -1.253 -10.599 372 HD2 ARG 76 HD2 ARG 76 -1.137 -1.247 -12.920 373 HD3 ARG 76 HD3 ARG 76 0.401 -1.928 -12.389 374 HE ARG 76 HE ARG 76 -0.563 -4.046 -12.101 375 HH11 ARG 76 HH11 ARG 76 -3.192 -1.840 -13.036 376 HH12 ARG 76 HH12 ARG 76 -4.223 -3.194 -13.412 377 HH21 ARG 76 HH21 ARG 76 -1.857 -5.602 -12.731 378 HH22 ARG 76 HH22 ARG 76 -3.497 -5.299 -13.273 379 H LEU 77 H LEU 77 0.955 1.193 -7.865 380 HA LEU 77 HA LEU 77 1.480 3.917 -8.527 381 HB2 LEU 77 HB2 LEU 77 2.367 2.718 -5.887 382 HB3 LEU 77 HB3 LEU 77 1.703 4.311 -6.211 383 HG LEU 77 HG LEU 77 0.209 1.682 -6.167 384 HD11 LEU 77 HD11 LEU 77 0.148 4.036 -4.290 385 HD12 LEU 77 HD12 LEU 77 -0.792 2.524 -4.145 386 HD13 LEU 77 HD13 LEU 77 0.999 2.489 -4.036 387 HD21 LEU 77 HD21 LEU 77 -0.793 3.045 -7.797 388 HD22 LEU 77 HD22 LEU 77 -1.821 3.082 -6.356 389 HD23 LEU 77 HD23 LEU 77 -0.754 4.475 -6.738 390 H VAL 78 H VAL 78 3.570 1.471 -7.166 391 HA VAL 78 HA VAL 78 5.905 3.166 -7.249 392 HB VAL 78 HB VAL 78 7.027 1.805 -6.017 393 HG11 VAL 78 HG11 VAL 78 4.793 -0.239 -5.902 394 HG12 VAL 78 HG12 VAL 78 5.977 0.182 -4.659 395 HG13 VAL 78 HG13 VAL 78 4.687 1.331 -5.065 396 HG21 VAL 78 HG21 VAL 78 7.826 0.428 -7.854 397 HG22 VAL 78 HG22 VAL 78 7.613 -0.455 -6.341 398 HG23 VAL 78 HG23 VAL 78 6.409 -0.636 -7.670 399 H LYS 79 H LYS 79 4.819 0.868 -9.722 400 HA LYS 79 HA LYS 79 7.126 1.453 -11.372 401 HB2 LYS 79 HB2 LYS 79 4.817 -0.283 -11.589 402 HB3 LYS 79 HB3 LYS 79 4.819 0.810 -12.985 403 HG2 LYS 79 HG2 LYS 79 6.023 -0.998 -13.579 404 HG3 LYS 79 HG3 LYS 79 7.140 0.326 -13.322 405 HD2 LYS 79 HD2 LYS 79 8.369 -1.302 -12.196 406 HD3 LYS 79 HD3 LYS 79 7.321 -0.768 -10.871 407 HE2 LYS 79 HE2 LYS 79 6.888 -3.010 -10.752 408 HE3 LYS 79 HE3 LYS 79 5.627 -2.482 -11.891 409 HZ1 LYS 79 HZ1 LYS 79 8.288 -3.572 -12.701 410 HZ2 LYS 79 HZ2 LYS 79 6.934 -4.501 -12.637 411 HZ3 LYS 79 HZ3 LYS 79 7.064 -3.270 -13.726 412 H LYS 80 H LYS 80 4.470 3.257 -10.622 413 HA LYS 80 HA LYS 80 5.047 5.292 -12.755 414 HB2 LYS 80 HB2 LYS 80 2.483 4.857 -11.195 415 HB3 LYS 80 HB3 LYS 80 2.742 6.079 -12.449 416 HG2 LYS 80 HG2 LYS 80 3.319 4.163 -14.068 417 HG3 LYS 80 HG3 LYS 80 2.717 3.057 -12.845 418 HD2 LYS 80 HD2 LYS 80 0.804 3.320 -14.113 419 HD3 LYS 80 HD3 LYS 80 0.555 4.570 -12.898 420 HE2 LYS 80 HE2 LYS 80 0.074 5.680 -14.913 421 HE3 LYS 80 HE3 LYS 80 1.726 6.184 -14.559 422 HZ1 LYS 80 HZ1 LYS 80 0.872 4.143 -16.535 423 HZ2 LYS 80 HZ2 LYS 80 1.675 5.546 -16.842 424 HZ3 LYS 80 HZ3 LYS 80 2.423 4.297 -16.098 425 H GLU 81 H GLU 81 6.503 5.045 -10.253 426 HA GLU 81 HA GLU 81 7.550 6.438 -8.773 427 HB2 GLU 81 HB2 GLU 81 6.860 8.487 -10.918 428 HB3 GLU 81 HB3 GLU 81 8.154 8.620 -9.725 429 HG2 GLU 81 HG2 GLU 81 9.293 6.656 -10.680 430 HG3 GLU 81 HG3 GLU 81 8.012 6.482 -11.889 431 H MET 82 H MET 82 4.499 6.323 -8.137 432 HA MET 82 HA MET 82 4.006 9.014 -7.048 433 HB2 MET 82 HB2 MET 82 2.174 8.239 -8.168 434 HB3 MET 82 HB3 MET 82 2.547 6.551 -7.882 435 HG2 MET 82 HG2 MET 82 0.554 7.025 -6.787 436 HG3 MET 82 HG3 MET 82 1.829 6.657 -5.637 437 HE1 MET 82 HE1 MET 82 -0.395 9.531 -7.236 438 HE2 MET 82 HE2 MET 82 0.078 10.941 -6.261 439 HE3 MET 82 HE3 MET 82 1.237 10.226 -7.394 440 H LEU 83 H LEU 83 4.603 5.704 -6.010 441 HA LEU 83 HA LEU 83 5.332 6.467 -3.241 442 HB2 LEU 83 HB2 LEU 83 3.083 4.698 -4.195 443 HB3 LEU 83 HB3 LEU 83 4.129 3.913 -3.051 444 HG LEU 83 HG LEU 83 2.037 5.044 -2.154 445 HD11 LEU 83 HD11 LEU 83 4.725 5.803 -0.959 446 HD12 LEU 83 HD12 LEU 83 3.171 5.850 -0.106 447 HD13 LEU 83 HD13 LEU 83 3.841 4.294 -0.660 448 HD21 LEU 83 HD21 LEU 83 2.496 7.139 -3.513 449 HD22 LEU 83 HD22 LEU 83 2.088 7.423 -1.795 450 HD23 LEU 83 HD23 LEU 83 3.785 7.511 -2.349 451 H SER 84 H SER 84 6.920 5.164 -2.374 452 HA SER 84 HA SER 84 7.853 2.876 -4.109 453 HB2 SER 84 HB2 SER 84 9.712 4.936 -2.966 454 HB3 SER 84 HB3 SER 84 10.225 3.371 -3.583 455 HG SER 84 HG SER 84 10.150 4.208 -5.498 456 H THR 85 H THR 85 9.517 1.471 -2.941 457 HA THR 85 HA THR 85 8.882 1.381 -0.057 458 HB THR 85 HB THR 85 7.113 0.240 -1.165 459 HG1 THR 85 HG1 THR 85 7.037 -1.335 0.057 460 HG21 THR 85 HG21 THR 85 9.240 -1.393 -2.536 461 HG22 THR 85 HG22 THR 85 7.521 -1.837 -2.510 462 HG23 THR 85 HG23 THR 85 8.022 -0.312 -3.282 463 H GLU 86 H GLU 86 10.257 0.331 1.280 464 HA GLU 86 HA GLU 86 12.742 -0.884 0.102 465 HB2 GLU 86 HB2 GLU 86 12.755 0.945 2.517 466 HB3 GLU 86 HB3 GLU 86 14.130 0.111 1.805 467 HG2 GLU 86 HG2 GLU 86 13.689 1.411 -0.363 468 HG3 GLU 86 HG3 GLU 86 12.616 2.441 0.587 469 H LYS 87 H LYS 87 13.872 -2.398 1.465 470 HA LYS 87 HA LYS 87 11.992 -4.142 2.818 471 HB2 LYS 87 HB2 LYS 87 13.915 -4.627 1.159 472 HB3 LYS 87 HB3 LYS 87 14.992 -4.521 2.558 473 HG2 LYS 87 HG2 LYS 87 13.680 -6.379 3.646 474 HG3 LYS 87 HG3 LYS 87 12.612 -6.407 2.224 475 HD2 LYS 87 HD2 LYS 87 14.904 -6.630 0.900 476 HD3 LYS 87 HD3 LYS 87 15.526 -7.212 2.449 477 HE2 LYS 87 HE2 LYS 87 13.836 -9.022 2.436 478 HE3 LYS 87 HE3 LYS 87 13.058 -8.281 1.026 479 HZ1 LYS 87 HZ1 LYS 87 15.671 -9.711 1.066 480 HZ2 LYS 87 HZ2 LYS 87 14.416 -9.821 -0.041 481 HZ3 LYS 87 HZ3 LYS 87 15.416 -8.548 -0.003 482 H GLU 88 H GLU 88 11.743 -4.581 4.910 483 HA GLU 88 HA GLU 88 13.903 -3.956 6.880 484 HB2 GLU 88 HB2 GLU 88 10.965 -3.239 7.133 485 HB3 GLU 88 HB3 GLU 88 12.041 -3.346 8.526 486 HG2 GLU 88 HG2 GLU 88 12.553 -1.451 6.195 487 HG3 GLU 88 HG3 GLU 88 11.622 -1.041 7.631 488 H GLY 89 H GLY 89 14.590 -5.821 7.527 489 HA2 GLY 89 HA2 GLY 89 14.794 -7.807 8.597 490 HA3 GLY 89 HA3 GLY 89 13.287 -7.394 9.396 491 H ARG 90 H ARG 90 11.332 -7.843 7.867 492 HA ARG 90 HA ARG 90 11.510 -10.354 6.291 493 HB2 ARG 90 HB2 ARG 90 9.836 -11.546 7.606 494 HB3 ARG 90 HB3 ARG 90 11.271 -11.211 8.568 495 HG2 ARG 90 HG2 ARG 90 10.157 -9.482 9.830 496 HG3 ARG 90 HG3 ARG 90 8.820 -9.405 8.678 497 HD2 ARG 90 HD2 ARG 90 7.984 -10.539 10.568 498 HD3 ARG 90 HD3 ARG 90 8.182 -11.743 9.284 499 HE ARG 90 HE ARG 90 10.511 -11.657 11.024 500 HH11 ARG 90 HH11 ARG 90 7.234 -13.034 10.889 501 HH12 ARG 90 HH12 ARG 90 7.670 -14.128 12.198 502 HH21 ARG 90 HH21 ARG 90 10.853 -13.236 12.555 503 HH22 ARG 90 HH22 ARG 90 9.497 -14.248 13.041 504 H LYS 91 H LYS 91 10.315 -7.322 6.489 505 HA LYS 91 HA LYS 91 7.895 -7.743 4.904 506 HB2 LYS 91 HB2 LYS 91 8.220 -6.942 7.619 507 HB3 LYS 91 HB3 LYS 91 8.241 -5.410 6.761 508 HG2 LYS 91 HG2 LYS 91 6.029 -5.682 7.160 509 HG3 LYS 91 HG3 LYS 91 6.189 -6.358 5.532 510 HD2 LYS 91 HD2 LYS 91 4.796 -7.924 6.558 511 HD3 LYS 91 HD3 LYS 91 6.393 -8.662 6.798 512 HE2 LYS 91 HE2 LYS 91 6.398 -8.212 9.090 513 HE3 LYS 91 HE3 LYS 91 5.403 -6.772 8.933 514 HZ1 LYS 91 HZ1 LYS 91 4.229 -9.499 8.656 515 HZ2 LYS 91 HZ2 LYS 91 4.281 -8.594 10.038 516 HZ3 LYS 91 HZ3 LYS 91 3.451 -8.056 8.794 517 H PHE 92 H PHE 92 7.281 -5.494 4.012 518 HA PHE 92 HA PHE 92 9.625 -3.889 3.052 519 HB2 PHE 92 HB2 PHE 92 7.298 -5.021 1.520 520 HB3 PHE 92 HB3 PHE 92 7.821 -3.391 1.143 521 HD1 PHE 92 HD1 PHE 92 8.801 -6.887 1.337 522 HD2 PHE 92 HD2 PHE 92 9.959 -2.930 0.162 523 HE1 PHE 92 HE1 PHE 92 10.796 -7.830 0.135 524 HE2 PHE 92 HE2 PHE 92 11.949 -3.836 -1.028 525 HZ PHE 92 HZ PHE 92 12.364 -6.301 -1.053 526 H VAL 93 H VAL 93 9.334 -1.735 3.062 527 HA VAL 93 HA VAL 93 6.995 -0.624 4.535 528 HB VAL 93 HB VAL 93 9.922 0.244 4.436 529 HG11 VAL 93 HG11 VAL 93 7.453 1.525 5.692 530 HG12 VAL 93 HG12 VAL 93 9.129 2.004 6.045 531 HG13 VAL 93 HG13 VAL 93 8.460 2.234 4.413 532 HG21 VAL 93 HG21 VAL 93 9.494 -1.627 5.968 533 HG22 VAL 93 HG22 VAL 93 9.699 -0.139 6.905 534 HG23 VAL 93 HG23 VAL 93 8.067 -0.769 6.630 535 H TYR 94 H TYR 94 5.732 0.564 3.360 536 HA TYR 94 HA TYR 94 6.573 1.642 0.735 537 HB2 TYR 94 HB2 TYR 94 3.874 0.940 1.952 538 HB3 TYR 94 HB3 TYR 94 4.029 1.920 0.501 539 HD1 TYR 94 HD1 TYR 94 4.956 -1.446 1.914 540 HD2 TYR 94 HD2 TYR 94 4.379 0.946 -1.633 541 HE1 TYR 94 HE1 TYR 94 5.270 -3.469 0.487 542 HE2 TYR 94 HE2 TYR 94 4.682 -1.090 -3.041 543 HH TYR 94 HH TYR 94 5.453 -4.280 -1.688 544 H ARG 95 H ARG 95 7.184 3.589 0.760 545 HA ARG 95 HA ARG 95 5.950 5.717 2.465 546 HB2 ARG 95 HB2 ARG 95 8.405 6.502 2.898 547 HB3 ARG 95 HB3 ARG 95 7.704 5.213 3.859 548 HG2 ARG 95 HG2 ARG 95 8.952 3.509 2.631 549 HG3 ARG 95 HG3 ARG 95 9.499 4.710 1.468 550 HD2 ARG 95 HD2 ARG 95 11.306 4.176 2.970 551 HD3 ARG 95 HD3 ARG 95 10.801 5.848 3.253 552 HE ARG 95 HE ARG 95 9.468 4.111 5.121 553 HH11 ARG 95 HH11 ARG 95 12.773 5.219 4.546 554 HH12 ARG 95 HH12 ARG 95 13.126 5.155 6.247 555 HH21 ARG 95 HH21 ARG 95 10.085 4.191 7.343 556 HH22 ARG 95 HH22 ARG 95 11.631 4.827 7.710 557 HA PRO 96 HA PRO 96 6.028 8.247 -1.098 558 HB2 PRO 96 HB2 PRO 96 5.982 10.787 -0.131 559 HB3 PRO 96 HB3 PRO 96 4.696 9.596 0.227 560 HG2 PRO 96 HG2 PRO 96 7.117 10.258 1.949 561 HG3 PRO 96 HG3 PRO 96 5.387 10.262 2.432 562 HD2 PRO 96 HD2 PRO 96 6.956 8.112 2.885 563 HD3 PRO 96 HD3 PRO 96 5.261 7.908 2.362 564 H LEU 97 H LEU 97 8.340 7.170 -1.168 565 HA LEU 97 HA LEU 97 10.666 8.934 -1.408 566 HB2 LEU 97 HB2 LEU 97 9.943 6.099 -1.265 567 HB3 LEU 97 HB3 LEU 97 11.248 6.422 -2.384 568 HG LEU 97 HG LEU 97 12.585 7.475 -0.674 569 HD11 LEU 97 HD11 LEU 97 10.211 6.945 1.168 570 HD12 LEU 97 HD12 LEU 97 11.871 7.289 1.739 571 HD13 LEU 97 HD13 LEU 97 10.969 8.508 0.833 572 HD21 LEU 97 HD21 LEU 97 12.544 5.072 -1.121 573 HD22 LEU 97 HD22 LEU 97 12.882 5.369 0.603 574 HD23 LEU 97 HD23 LEU 97 11.251 4.853 0.060 575 H MET 98 H MET 98 11.849 7.785 -3.544 576 HA MET 98 HA MET 98 10.334 7.813 -6.015 577 HB2 MET 98 HB2 MET 98 11.147 10.153 -5.871 578 HB3 MET 98 HB3 MET 98 12.789 9.582 -5.528 579 HG2 MET 98 HG2 MET 98 12.901 8.525 -7.750 580 HG3 MET 98 HG3 MET 98 11.244 9.040 -8.096 581 HE1 MET 98 HE1 MET 98 12.319 9.819 -10.368 582 HE2 MET 98 HE2 MET 98 13.532 11.111 -10.525 583 HE3 MET 98 HE3 MET 98 13.996 9.525 -9.865 584 H GLU 99 H GLU 99 11.394 6.434 -7.485 585 HA GLU 99 HA GLU 99 12.320 4.539 -8.106 586 HB2 GLU 99 HB2 GLU 99 14.378 5.985 -8.144 587 HB3 GLU 99 HB3 GLU 99 14.837 5.253 -6.611 588 HG2 GLU 99 HG2 GLU 99 16.016 4.124 -8.351 589 HG3 GLU 99 HG3 GLU 99 14.825 2.991 -7.748 Start of MODEL 8 1 H PHE 31 H1 PHE 31 -22.374 14.769 -12.954 2 HA PHE 31 HA PHE 31 -20.038 14.490 -14.724 3 HB2 PHE 31 HB2 PHE 31 -20.226 15.417 -11.849 4 HB3 PHE 31 HB3 PHE 31 -18.839 14.482 -12.358 5 HD1 PHE 31 HD2 PHE 31 -17.857 15.356 -14.837 6 HD2 PHE 31 HD1 PHE 31 -19.687 17.699 -11.696 7 HE1 PHE 31 HE2 PHE 31 -16.631 17.370 -15.605 8 HE2 PHE 31 HE1 PHE 31 -18.457 19.698 -12.481 9 HZ PHE 31 HZ PHE 31 -16.935 19.541 -14.436 10 H ASN 32 H ASN 32 -18.769 12.625 -14.314 11 HA ASN 32 HA ASN 32 -19.499 10.720 -12.238 12 HB2 ASN 32 HB2 ASN 32 -20.023 10.213 -15.166 13 HB3 ASN 32 HB3 ASN 32 -19.149 8.944 -14.313 14 HD21 ASN 32 HD22 ASN 32 -21.776 8.632 -15.427 15 HD22 ASN 32 HD21 ASN 32 -22.832 8.295 -14.038 16 H VAL 33 H VAL 33 -17.615 10.115 -11.347 17 HA VAL 33 HA VAL 33 -15.150 9.748 -12.869 18 HB VAL 33 HB VAL 33 -13.823 11.165 -11.253 19 HG11 VAL 33 HG11 VAL 33 -15.540 12.785 -13.149 20 HG12 VAL 33 HG12 VAL 33 -13.901 13.152 -12.574 21 HG13 VAL 33 HG13 VAL 33 -14.171 11.760 -13.636 22 HG21 VAL 33 HG21 VAL 33 -15.561 11.754 -9.578 23 HG22 VAL 33 HG22 VAL 33 -14.799 13.175 -10.287 24 HG23 VAL 33 HG23 VAL 33 -16.423 12.689 -10.815 25 H SER 34 H SER 34 -14.096 8.093 -12.051 26 HA SER 34 HA SER 34 -14.199 7.226 -9.224 27 HB2 SER 34 HB2 SER 34 -15.339 5.672 -11.600 28 HB3 SER 34 HB3 SER 34 -14.933 4.927 -10.038 29 HG SER 34 HG SER 34 -16.501 6.005 -9.054 30 H ASN 35 H ASN 35 -12.312 5.943 -8.739 31 HA ASN 35 HA ASN 35 -10.989 4.400 -10.741 32 HB2 ASN 35 HB2 ASN 35 -10.151 7.161 -10.603 33 HB3 ASN 35 HB3 ASN 35 -8.850 6.201 -9.934 34 HD21 ASN 35 HD22 ASN 35 -9.268 7.669 -12.600 35 HD22 ASN 35 HD21 ASN 35 -8.865 6.425 -13.777 36 H ALA 36 H ALA 36 -8.802 3.510 -9.949 37 HA ALA 36 HA ALA 36 -9.376 2.124 -7.452 38 HB1 ALA 36 HB1 ALA 36 -7.023 2.091 -9.412 39 HB2 ALA 36 HB2 ALA 36 -7.133 1.024 -8.001 40 HB3 ALA 36 HB3 ALA 36 -8.360 0.907 -9.297 41 H GLU 37 H GLU 37 -6.938 4.528 -8.449 42 HA GLU 37 HA GLU 37 -5.209 4.161 -6.267 43 HB2 GLU 37 HB2 GLU 37 -4.196 6.316 -7.029 44 HB3 GLU 37 HB3 GLU 37 -4.356 5.074 -8.257 45 HG2 GLU 37 HG2 GLU 37 -6.653 7.008 -8.095 46 HG3 GLU 37 HG3 GLU 37 -5.100 7.694 -8.544 47 H LEU 38 H LEU 38 -8.169 5.833 -6.126 48 HA LEU 38 HA LEU 38 -7.619 8.127 -4.679 49 HB2 LEU 38 HB2 LEU 38 -9.749 7.531 -5.782 50 HB3 LEU 38 HB3 LEU 38 -10.056 6.302 -4.558 51 HG LEU 38 HG LEU 38 -10.168 8.112 -2.811 52 HD11 LEU 38 HD11 LEU 38 -10.014 9.964 -5.235 53 HD12 LEU 38 HD12 LEU 38 -10.476 10.454 -3.593 54 HD13 LEU 38 HD13 LEU 38 -8.835 9.877 -3.904 55 HD21 LEU 38 HD21 LEU 38 -12.194 7.216 -3.874 56 HD22 LEU 38 HD22 LEU 38 -12.371 8.944 -3.539 57 HD23 LEU 38 HD23 LEU 38 -12.044 8.395 -5.198 58 H ILE 39 H ILE 39 -8.823 5.122 -3.084 59 HA ILE 39 HA ILE 39 -8.360 6.165 -0.447 60 HB ILE 39 HB ILE 39 -8.937 3.334 -1.335 61 HG12 ILE 39 HG12 ILE 39 -10.648 5.675 -0.352 62 HG13 ILE 39 HG13 ILE 39 -10.688 4.934 -1.954 63 HG21 ILE 39 HG21 ILE 39 -9.065 4.571 1.460 64 HG22 ILE 39 HG22 ILE 39 -9.536 2.916 1.027 65 HG23 ILE 39 HG23 ILE 39 -7.856 3.382 0.929 66 HD11 ILE 39 HD11 ILE 39 -11.638 3.718 0.647 67 HD12 ILE 39 HD12 ILE 39 -12.602 4.189 -0.758 68 HD13 ILE 39 HD13 ILE 39 -11.492 2.804 -0.880 69 H VAL 40 H VAL 40 -6.456 3.844 -2.457 70 HA VAL 40 HA VAL 40 -4.506 3.290 -0.422 71 HB VAL 40 HB VAL 40 -3.004 2.548 -2.240 72 HG11 VAL 40 HG11 VAL 40 -5.848 1.507 -2.555 73 HG12 VAL 40 HG12 VAL 40 -4.339 0.646 -2.931 74 HG13 VAL 40 HG13 VAL 40 -4.731 1.053 -1.252 75 HG21 VAL 40 HG21 VAL 40 -3.631 4.108 -4.054 76 HG22 VAL 40 HG22 VAL 40 -3.824 2.425 -4.559 77 HG23 VAL 40 HG23 VAL 40 -5.251 3.368 -4.123 78 H MET 41 H MET 41 -4.648 5.986 -2.793 79 HA MET 41 HA MET 41 -2.046 6.999 -1.958 80 HB2 MET 41 HB2 MET 41 -3.142 7.405 -4.179 81 HB3 MET 41 HB3 MET 41 -4.317 8.458 -3.366 82 HG2 MET 41 HG2 MET 41 -2.512 9.976 -2.690 83 HG3 MET 41 HG3 MET 41 -1.295 8.831 -3.259 84 HE1 MET 41 HE1 MET 41 -3.909 11.536 -4.178 85 HE2 MET 41 HE2 MET 41 -3.991 11.464 -5.949 86 HE3 MET 41 HE3 MET 41 -4.686 10.149 -4.978 87 H ARG 42 H ARG 42 -5.448 7.711 -1.025 88 HA ARG 42 HA ARG 42 -4.807 9.928 0.634 89 HB2 ARG 42 HB2 ARG 42 -7.074 9.484 -0.270 90 HB3 ARG 42 HB3 ARG 42 -7.193 8.042 0.747 91 HG2 ARG 42 HG2 ARG 42 -8.449 9.989 1.638 92 HG3 ARG 42 HG3 ARG 42 -7.249 9.400 2.780 93 HD2 ARG 42 HD2 ARG 42 -5.731 11.222 2.267 94 HD3 ARG 42 HD3 ARG 42 -6.719 11.673 0.862 95 HE ARG 42 HE ARG 42 -8.001 11.883 3.553 96 HH11 ARG 42 HH11 ARG 42 -6.354 13.555 1.001 97 HH12 ARG 42 HH12 ARG 42 -7.182 15.066 1.256 98 HH21 ARG 42 HH21 ARG 42 -8.987 13.788 3.967 99 HH22 ARG 42 HH22 ARG 42 -8.577 15.218 3.042 100 H VAL 43 H VAL 43 -5.155 6.477 1.566 101 HA VAL 43 HA VAL 43 -4.941 7.207 4.376 102 HB VAL 43 HB VAL 43 -5.147 4.932 4.962 103 HG11 VAL 43 HG11 VAL 43 -6.978 5.575 2.609 104 HG12 VAL 43 HG12 VAL 43 -7.285 4.425 3.888 105 HG13 VAL 43 HG13 VAL 43 -7.157 6.129 4.261 106 HG21 VAL 43 HG21 VAL 43 -3.843 3.573 3.618 107 HG22 VAL 43 HG22 VAL 43 -5.419 3.222 2.955 108 HG23 VAL 43 HG23 VAL 43 -4.359 4.329 2.090 109 H ILE 44 H ILE 44 -2.536 5.609 2.187 110 HA ILE 44 HA ILE 44 -0.738 4.908 4.381 111 HB ILE 44 HB ILE 44 0.040 5.511 1.388 112 HG12 ILE 44 HG12 ILE 44 -1.038 2.907 2.579 113 HG13 ILE 44 HG13 ILE 44 -1.961 3.945 1.627 114 HG21 ILE 44 HG21 ILE 44 1.209 3.723 3.617 115 HG22 ILE 44 HG22 ILE 44 1.812 3.813 1.950 116 HG23 ILE 44 HG23 ILE 44 1.911 5.208 2.995 117 HD11 ILE 44 HD11 ILE 44 0.506 2.548 0.631 118 HD12 ILE 44 HD12 ILE 44 -1.202 2.246 0.179 119 HD13 ILE 44 HD13 ILE 44 -0.416 3.793 -0.255 120 H TRP 45 H TRP 45 -0.826 7.816 2.226 121 HA TRP 45 HA TRP 45 1.537 9.176 2.857 122 HB2 TRP 45 HB2 TRP 45 -0.010 9.867 1.140 123 HB3 TRP 45 HB3 TRP 45 -1.304 10.052 2.285 124 HD1 TRP 45 HD1 TRP 45 -1.190 12.111 3.993 125 HE1 TRP 45 HE1 TRP 45 -0.078 14.399 3.862 126 HE3 TRP 45 HE3 TRP 45 1.885 11.265 -0.012 127 HZ2 TRP 45 HZ2 TRP 45 1.926 15.718 2.221 128 HZ3 TRP 45 HZ3 TRP 45 3.352 13.078 -0.869 129 HH2 TRP 45 HH2 TRP 45 3.400 15.287 0.256 130 H SER 46 H SER 46 -1.185 8.673 4.946 131 HA SER 46 HA SER 46 -0.863 11.131 6.525 132 HB2 SER 46 HB2 SER 46 -2.986 9.943 6.020 133 HB3 SER 46 HB3 SER 46 -2.475 8.595 7.102 134 HG SER 46 HG SER 46 -3.797 10.134 8.179 135 H LEU 47 H LEU 47 0.042 7.692 6.959 136 HA LEU 47 HA LEU 47 0.532 7.800 9.726 137 HB2 LEU 47 HB2 LEU 47 -0.239 6.072 7.856 138 HB3 LEU 47 HB3 LEU 47 1.465 5.749 7.670 139 HG LEU 47 HG LEU 47 0.148 5.666 10.425 140 HD11 LEU 47 HD11 LEU 47 0.140 3.513 8.275 141 HD12 LEU 47 HD12 LEU 47 -0.419 3.309 9.959 142 HD13 LEU 47 HD13 LEU 47 -1.264 4.420 8.851 143 HD21 LEU 47 HD21 LEU 47 2.609 5.501 10.193 144 HD22 LEU 47 HD22 LEU 47 1.924 3.961 10.767 145 HD23 LEU 47 HD23 LEU 47 2.408 4.159 9.060 146 H GLY 48 H GLY 48 2.669 7.751 6.892 147 HA2 GLY 48 HA2 GLY 48 4.671 9.331 7.065 148 HA3 GLY 48 HA3 GLY 48 5.082 8.440 8.541 149 H GLU 49 H GLU 49 5.235 6.029 8.283 150 HA GLU 49 HA GLU 49 5.674 4.999 5.574 151 HB2 GLU 49 HB2 GLU 49 7.643 3.789 6.179 152 HB3 GLU 49 HB3 GLU 49 7.937 5.511 6.181 153 HG2 GLU 49 HG2 GLU 49 7.378 4.115 8.821 154 HG3 GLU 49 HG3 GLU 49 8.894 3.796 7.990 155 H ALA 50 H ALA 50 5.012 2.866 5.353 156 HA ALA 50 HA ALA 50 3.666 1.676 7.759 157 HB1 ALA 50 HB1 ALA 50 2.554 2.142 4.961 158 HB2 ALA 50 HB2 ALA 50 1.691 1.372 6.308 159 HB3 ALA 50 HB3 ALA 50 2.138 3.079 6.412 160 H ARG 51 H ARG 51 3.382 -0.571 7.750 161 HA ARG 51 HA ARG 51 5.207 -2.108 6.014 162 HB2 ARG 51 HB2 ARG 51 3.591 -2.837 8.489 163 HB3 ARG 51 HB3 ARG 51 4.120 -4.077 7.371 164 HG2 ARG 51 HG2 ARG 51 5.779 -4.121 8.917 165 HG3 ARG 51 HG3 ARG 51 6.500 -3.140 7.639 166 HD2 ARG 51 HD2 ARG 51 5.906 -1.096 8.995 167 HD3 ARG 51 HD3 ARG 51 5.302 -2.157 10.264 168 HE ARG 51 HE ARG 51 8.101 -1.584 9.555 169 HH11 ARG 51 HH11 ARG 51 6.123 -3.745 11.540 170 HH12 ARG 51 HH12 ARG 51 7.447 -4.037 12.606 171 HH21 ARG 51 HH21 ARG 51 9.718 -2.087 11.025 172 HH22 ARG 51 HH22 ARG 51 9.473 -3.419 12.107 173 H VAL 52 H VAL 52 4.354 -3.946 4.686 174 HA VAL 52 HA VAL 52 2.159 -3.305 3.121 175 HB VAL 52 HB VAL 52 3.262 -4.725 1.916 176 HG11 VAL 52 HG11 VAL 52 4.179 -6.133 4.436 177 HG12 VAL 52 HG12 VAL 52 4.729 -6.531 2.784 178 HG13 VAL 52 HG13 VAL 52 5.066 -4.924 3.455 179 HG21 VAL 52 HG21 VAL 52 1.197 -5.971 2.110 180 HG22 VAL 52 HG22 VAL 52 2.561 -7.070 1.915 181 HG23 VAL 52 HG23 VAL 52 1.847 -6.842 3.552 182 H ASP 53 H ASP 53 2.082 -5.373 5.950 183 HA ASP 53 HA ASP 53 -0.778 -5.997 5.663 184 HB2 ASP 53 HB2 ASP 53 0.414 -7.662 6.634 185 HB3 ASP 53 HB3 ASP 53 1.473 -6.619 7.494 186 H GLU 54 H GLU 54 0.847 -3.192 6.615 187 HA GLU 54 HA GLU 54 -1.338 -2.169 8.346 188 HB2 GLU 54 HB2 GLU 54 1.346 -1.611 8.270 189 HB3 GLU 54 HB3 GLU 54 0.750 -0.374 7.187 190 HG2 GLU 54 HG2 GLU 54 -0.013 -0.922 10.088 191 HG3 GLU 54 HG3 GLU 54 0.944 0.436 9.503 192 H ILE 55 H ILE 55 0.142 -1.439 5.129 193 HA ILE 55 HA ILE 55 -1.894 0.424 4.330 194 HB ILE 55 HB ILE 55 -1.143 0.053 2.002 195 HG12 ILE 55 HG12 ILE 55 0.369 -2.152 3.344 196 HG13 ILE 55 HG13 ILE 55 -0.633 -2.278 1.875 197 HG21 ILE 55 HG21 ILE 55 1.282 0.177 3.803 198 HG22 ILE 55 HG22 ILE 55 0.968 0.974 2.203 199 HG23 ILE 55 HG23 ILE 55 0.118 1.490 3.721 200 HD11 ILE 55 HD11 ILE 55 2.173 -1.309 2.336 201 HD12 ILE 55 HD12 ILE 55 1.584 -2.560 1.214 202 HD13 ILE 55 HD13 ILE 55 1.298 -0.801 0.855 203 H TYR 56 H TYR 56 -1.759 -3.137 3.829 204 HA TYR 56 HA TYR 56 -4.228 -3.405 2.472 205 HB2 TYR 56 HB2 TYR 56 -2.594 -5.139 2.668 206 HB3 TYR 56 HB3 TYR 56 -2.597 -5.063 4.423 207 HD1 TYR 56 HD1 TYR 56 -5.135 -5.502 1.710 208 HD2 TYR 56 HD2 TYR 56 -3.532 -6.859 5.427 209 HE1 TYR 56 HE1 TYR 56 -7.033 -7.137 1.886 210 HE2 TYR 56 HE2 TYR 56 -5.414 -8.543 5.638 211 HH TYR 56 HH TYR 56 -7.969 -8.695 3.127 212 H ALA 57 H ALA 57 -3.535 -2.904 5.938 213 HA ALA 57 HA ALA 57 -6.125 -3.720 6.886 214 HB1 ALA 57 HB1 ALA 57 -4.342 -1.646 8.188 215 HB2 ALA 57 HB2 ALA 57 -5.473 -2.771 8.954 216 HB3 ALA 57 HB3 ALA 57 -3.964 -3.404 8.231 217 H GLN 58 H GLN 58 -5.191 -0.885 5.043 218 HA GLN 58 HA GLN 58 -7.458 0.650 6.116 219 HB2 GLN 58 HB2 GLN 58 -5.562 1.323 3.884 220 HB3 GLN 58 HB3 GLN 58 -6.608 2.439 4.786 221 HG2 GLN 58 HG2 GLN 58 -4.052 1.062 5.627 222 HG3 GLN 58 HG3 GLN 58 -4.356 2.788 5.530 223 HE21 GLN 58 HE22 GLN 58 -3.214 1.490 7.703 224 HE22 GLN 58 HE21 GLN 58 -4.355 1.611 9.029 225 H ILE 59 H ILE 59 -7.313 -1.866 4.014 226 HA ILE 59 HA ILE 59 -9.161 -0.806 1.985 227 HB ILE 59 HB ILE 59 -7.484 -3.299 2.184 228 HG12 ILE 59 HG12 ILE 59 -7.212 -0.641 0.668 229 HG13 ILE 59 HG13 ILE 59 -6.194 -1.179 2.013 230 HG21 ILE 59 HG21 ILE 59 -8.867 -2.294 -0.300 231 HG22 ILE 59 HG22 ILE 59 -8.041 -3.843 -0.013 232 HG23 ILE 59 HG23 ILE 59 -9.585 -3.536 0.767 233 HD11 ILE 59 HD11 ILE 59 -6.289 -2.395 -0.731 234 HD12 ILE 59 HD12 ILE 59 -4.984 -1.481 0.055 235 HD13 ILE 59 HD13 ILE 59 -5.450 -3.082 0.696 236 HA PRO 60 HA PRO 60 -11.978 -2.758 4.964 237 HB2 PRO 60 HB2 PRO 60 -14.309 -1.413 4.319 238 HB3 PRO 60 HB3 PRO 60 -12.996 -0.738 5.324 239 HG2 PRO 60 HG2 PRO 60 -13.457 -0.321 2.355 240 HG3 PRO 60 HG3 PRO 60 -13.116 0.910 3.611 241 HD2 PRO 60 HD2 PRO 60 -11.189 -0.095 1.989 242 HD3 PRO 60 HD3 PRO 60 -10.854 0.272 3.709 243 H GLN 61 H GLN 61 -13.778 -4.136 4.982 244 HA GLN 61 HA GLN 61 -14.265 -5.977 2.929 245 HB2 GLN 61 HB2 GLN 61 -15.995 -6.837 4.220 246 HB3 GLN 61 HB3 GLN 61 -14.743 -6.268 5.315 247 HG2 GLN 61 HG2 GLN 61 -16.371 -5.170 6.383 248 HG3 GLN 61 HG3 GLN 61 -16.277 -4.005 5.066 249 HE21 GLN 61 HE22 GLN 61 -17.690 -5.700 2.979 250 HE22 GLN 61 HE21 GLN 61 -19.308 -5.841 3.607 251 H GLU 62 H GLU 62 -15.363 -2.762 2.980 252 HA GLU 62 HA GLU 62 -17.760 -2.782 1.451 253 HB2 GLU 62 HB2 GLU 62 -16.735 -0.969 2.780 254 HB3 GLU 62 HB3 GLU 62 -15.379 -0.905 1.649 255 HG2 GLU 62 HG2 GLU 62 -16.788 -0.040 -0.107 256 HG3 GLU 62 HG3 GLU 62 -18.229 -0.290 0.888 257 H LEU 63 H LEU 63 -14.411 -3.192 0.500 258 HA LEU 63 HA LEU 63 -14.893 -3.004 -2.417 259 HB2 LEU 63 HB2 LEU 63 -12.419 -3.616 -0.740 260 HB3 LEU 63 HB3 LEU 63 -12.424 -3.262 -2.463 261 HG LEU 63 HG LEU 63 -13.330 -1.298 -0.284 262 HD11 LEU 63 HD11 LEU 63 -10.740 -1.555 -1.824 263 HD12 LEU 63 HD12 LEU 63 -11.210 -0.156 -0.809 264 HD13 LEU 63 HD13 LEU 63 -11.025 -1.759 -0.071 265 HD21 LEU 63 HD21 LEU 63 -14.432 -0.922 -2.387 266 HD22 LEU 63 HD22 LEU 63 -13.184 0.321 -2.165 267 HD23 LEU 63 HD23 LEU 63 -12.890 -1.051 -3.275 268 H GLU 64 H GLU 64 -14.507 -5.297 -0.023 269 HA GLU 64 HA GLU 64 -14.459 -7.584 0.201 270 HB2 GLU 64 HB2 GLU 64 -15.691 -7.642 -2.567 271 HB3 GLU 64 HB3 GLU 64 -15.593 -9.001 -1.440 272 HG2 GLU 64 HG2 GLU 64 -16.956 -7.749 0.204 273 HG3 GLU 64 HG3 GLU 64 -17.120 -6.415 -0.949 274 H TRP 65 H TRP 65 -12.001 -6.504 -0.360 275 HA TRP 65 HA TRP 65 -10.776 -8.090 -2.544 276 HB2 TRP 65 HB2 TRP 65 -9.902 -5.661 -0.982 277 HB3 TRP 65 HB3 TRP 65 -8.812 -6.543 -2.030 278 HD1 TRP 65 HD1 TRP 65 -12.042 -6.512 -3.779 279 HE1 TRP 65 HE1 TRP 65 -12.129 -4.664 -5.534 280 HE3 TRP 65 HE3 TRP 65 -7.936 -3.832 -2.326 281 HZ2 TRP 65 HZ2 TRP 65 -10.603 -2.310 -6.242 282 HZ3 TRP 65 HZ3 TRP 65 -7.310 -1.746 -3.519 283 HH2 TRP 65 HH2 TRP 65 -8.643 -0.977 -5.472 284 H SER 66 H SER 66 -9.563 -9.748 -2.337 285 HA SER 66 HA SER 66 -8.378 -10.826 0.045 286 HB2 SER 66 HB2 SER 66 -7.610 -11.191 -2.880 287 HB3 SER 66 HB3 SER 66 -7.076 -12.205 -1.529 288 HG SER 66 HG SER 66 -9.693 -11.930 -2.606 289 H LEU 67 H LEU 67 -6.215 -10.731 0.855 290 HA LEU 67 HA LEU 67 -4.769 -8.488 0.746 291 HB2 LEU 67 HB2 LEU 67 -4.638 -10.886 2.023 292 HB3 LEU 67 HB3 LEU 67 -3.214 -11.007 1.005 293 HG LEU 67 HG LEU 67 -3.886 -9.265 3.336 294 HD11 LEU 67 HD11 LEU 67 -1.325 -10.501 2.354 295 HD12 LEU 67 HD12 LEU 67 -1.643 -9.814 3.982 296 HD13 LEU 67 HD13 LEU 67 -2.509 -11.275 3.457 297 HD21 LEU 67 HD21 LEU 67 -3.307 -7.533 1.661 298 HD22 LEU 67 HD22 LEU 67 -2.083 -7.655 2.920 299 HD23 LEU 67 HD23 LEU 67 -1.829 -8.380 1.309 300 H ALA 68 H ALA 68 -4.667 -10.950 -1.736 301 HA ALA 68 HA ALA 68 -2.160 -10.273 -2.937 302 HB1 ALA 68 HB1 ALA 68 -4.719 -11.399 -4.171 303 HB2 ALA 68 HB2 ALA 68 -3.108 -11.409 -4.920 304 HB3 ALA 68 HB3 ALA 68 -3.397 -12.343 -3.442 305 H THR 69 H THR 69 -5.499 -8.903 -3.466 306 HA THR 69 HA THR 69 -4.817 -7.622 -5.902 307 HB THR 69 HB THR 69 -6.975 -6.834 -3.940 308 HG1 THR 69 HG1 THR 69 -8.220 -8.094 -5.404 309 HG21 THR 69 HG21 THR 69 -6.461 -6.188 -6.877 310 HG22 THR 69 HG22 THR 69 -8.077 -5.999 -6.118 311 HG23 THR 69 HG23 THR 69 -6.700 -5.036 -5.554 312 H VAL 70 H VAL 70 -4.651 -6.205 -2.572 313 HA VAL 70 HA VAL 70 -4.010 -3.633 -3.483 314 HB VAL 70 HB VAL 70 -4.660 -4.111 -1.200 315 HG11 VAL 70 HG11 VAL 70 -1.997 -5.463 -0.757 316 HG12 VAL 70 HG12 VAL 70 -3.198 -5.046 0.469 317 HG13 VAL 70 HG13 VAL 70 -3.605 -6.238 -0.766 318 HG21 VAL 70 HG21 VAL 70 -3.261 -2.113 -1.753 319 HG22 VAL 70 HG22 VAL 70 -3.008 -2.669 -0.073 320 HG23 VAL 70 HG23 VAL 70 -1.817 -3.048 -1.324 321 H LYS 71 H LYS 71 -1.862 -6.417 -3.022 322 HA LYS 71 HA LYS 71 0.567 -4.822 -3.113 323 HB2 LYS 71 HB2 LYS 71 0.231 -7.804 -3.636 324 HB3 LYS 71 HB3 LYS 71 1.736 -6.952 -3.228 325 HG2 LYS 71 HG2 LYS 71 0.690 -6.222 -1.073 326 HG3 LYS 71 HG3 LYS 71 -0.721 -7.230 -1.458 327 HD2 LYS 71 HD2 LYS 71 0.773 -9.172 -1.750 328 HD3 LYS 71 HD3 LYS 71 2.127 -8.190 -1.135 329 HE2 LYS 71 HE2 LYS 71 0.499 -7.757 0.965 330 HE3 LYS 71 HE3 LYS 71 -0.396 -9.043 0.302 331 HZ1 LYS 71 HZ1 LYS 71 2.435 -9.423 1.116 332 HZ2 LYS 71 HZ2 LYS 71 1.119 -10.000 1.872 333 HZ3 LYS 71 HZ3 LYS 71 1.480 -10.537 0.378 334 H THR 72 H THR 72 -1.220 -6.538 -5.528 335 HA THR 72 HA THR 72 0.433 -5.920 -7.834 336 HB THR 72 HB THR 72 -1.102 -7.005 -9.027 337 HG1 THR 72 HG1 THR 72 -3.344 -5.695 -8.030 338 HG21 THR 72 HG21 THR 72 -2.736 -6.984 -6.489 339 HG22 THR 72 HG22 THR 72 -3.069 -8.047 -7.885 340 HG23 THR 72 HG23 THR 72 -1.567 -8.242 -6.949 341 H LEU 73 H LEU 73 -2.255 -4.029 -6.337 342 HA LEU 73 HA LEU 73 -2.390 -2.090 -8.430 343 HB2 LEU 73 HB2 LEU 73 -4.114 -3.045 -6.812 344 HB3 LEU 73 HB3 LEU 73 -3.335 -2.150 -5.518 345 HG LEU 73 HG LEU 73 -4.929 -1.093 -7.874 346 HD11 LEU 73 HD11 LEU 73 -5.239 -0.930 -4.831 347 HD12 LEU 73 HD12 LEU 73 -6.380 -0.288 -6.037 348 HD13 LEU 73 HD13 LEU 73 -6.120 -2.043 -5.892 349 HD21 LEU 73 HD21 LEU 73 -3.134 0.474 -7.607 350 HD22 LEU 73 HD22 LEU 73 -4.569 1.153 -6.809 351 HD23 LEU 73 HD23 LEU 73 -3.242 0.385 -5.840 352 H LEU 74 H LEU 74 -1.025 -2.261 -5.215 353 HA LEU 74 HA LEU 74 0.249 0.285 -4.860 354 HB2 LEU 74 HB2 LEU 74 0.847 -2.582 -4.029 355 HB3 LEU 74 HB3 LEU 74 2.040 -1.340 -3.719 356 HG LEU 74 HG LEU 74 -0.835 -1.194 -2.793 357 HD11 LEU 74 HD11 LEU 74 1.763 -1.709 -1.287 358 HD12 LEU 74 HD12 LEU 74 0.098 -1.776 -0.622 359 HD13 LEU 74 HD13 LEU 74 0.654 -3.019 -1.768 360 HD21 LEU 74 HD21 LEU 74 -0.126 1.000 -2.752 361 HD22 LEU 74 HD22 LEU 74 0.581 0.496 -1.153 362 HD23 LEU 74 HD23 LEU 74 1.574 0.584 -2.663 363 H GLY 75 H GLY 75 1.416 -2.697 -6.155 364 HA2 GLY 75 HA2 GLY 75 3.997 -2.015 -7.083 365 HA3 GLY 75 HA3 GLY 75 2.960 -3.247 -7.824 366 H ARG 76 H ARG 76 0.905 -1.071 -8.449 367 HA ARG 76 HA ARG 76 2.147 -0.223 -11.047 368 HB2 ARG 76 HB2 ARG 76 -0.705 0.130 -10.151 369 HB3 ARG 76 HB3 ARG 76 -0.049 0.488 -11.756 370 HG2 ARG 76 HG2 ARG 76 0.657 -2.114 -11.674 371 HG3 ARG 76 HG3 ARG 76 -0.664 -2.177 -10.516 372 HD2 ARG 76 HD2 ARG 76 -1.744 -2.759 -12.449 373 HD3 ARG 76 HD3 ARG 76 -2.089 -1.031 -12.402 374 HE ARG 76 HE ARG 76 -0.035 -0.843 -13.988 375 HH11 ARG 76 HH11 ARG 76 -2.319 -3.594 -14.267 376 HH12 ARG 76 HH12 ARG 76 -1.762 -3.854 -15.903 377 HH21 ARG 76 HH21 ARG 76 0.449 -1.345 -16.061 378 HH22 ARG 76 HH22 ARG 76 -0.335 -2.685 -16.860 379 H LEU 77 H LEU 77 0.794 1.169 -7.993 380 HA LEU 77 HA LEU 77 1.213 3.934 -8.739 381 HB2 LEU 77 HB2 LEU 77 1.817 2.888 -5.962 382 HB3 LEU 77 HB3 LEU 77 1.115 4.414 -6.441 383 HG LEU 77 HG LEU 77 -0.234 1.710 -6.455 384 HD11 LEU 77 HD11 LEU 77 -0.681 4.135 -4.732 385 HD12 LEU 77 HD12 LEU 77 -1.436 2.523 -4.585 386 HD13 LEU 77 HD13 LEU 77 0.310 2.712 -4.303 387 HD21 LEU 77 HD21 LEU 77 -1.121 2.928 -8.263 388 HD22 LEU 77 HD22 LEU 77 -2.294 3.075 -6.937 389 HD23 LEU 77 HD23 LEU 77 -1.195 4.439 -7.319 390 H VAL 78 H VAL 78 3.200 1.601 -7.120 391 HA VAL 78 HA VAL 78 5.416 3.361 -6.699 392 HB VAL 78 HB VAL 78 6.596 1.870 -5.632 393 HG11 VAL 78 HG11 VAL 78 4.335 -0.113 -5.614 394 HG12 VAL 78 HG12 VAL 78 5.423 0.361 -4.318 395 HG13 VAL 78 HG13 VAL 78 4.136 1.470 -4.831 396 HG21 VAL 78 HG21 VAL 78 7.402 0.509 -7.447 397 HG22 VAL 78 HG22 VAL 78 6.978 -0.476 -6.058 398 HG23 VAL 78 HG23 VAL 78 5.876 -0.414 -7.475 399 H LYS 79 H LYS 79 4.697 1.512 -9.493 400 HA LYS 79 HA LYS 79 7.167 2.086 -10.971 401 HB2 LYS 79 HB2 LYS 79 4.700 0.444 -11.326 402 HB3 LYS 79 HB3 LYS 79 5.182 1.304 -12.793 403 HG2 LYS 79 HG2 LYS 79 6.114 -0.782 -12.858 404 HG3 LYS 79 HG3 LYS 79 7.348 0.447 -12.725 405 HD2 LYS 79 HD2 LYS 79 8.222 -1.109 -11.213 406 HD3 LYS 79 HD3 LYS 79 7.237 -0.129 -10.130 407 HE2 LYS 79 HE2 LYS 79 6.391 -2.154 -9.535 408 HE3 LYS 79 HE3 LYS 79 5.321 -1.767 -10.896 409 HZ1 LYS 79 HZ1 LYS 79 7.790 -3.380 -11.250 410 HZ2 LYS 79 HZ2 LYS 79 6.376 -4.112 -10.868 411 HZ3 LYS 79 HZ3 LYS 79 6.584 -3.257 -12.290 412 H LYS 80 H LYS 80 4.200 3.719 -10.569 413 HA LYS 80 HA LYS 80 4.649 5.402 -12.964 414 HB2 LYS 80 HB2 LYS 80 2.334 4.668 -12.371 415 HB3 LYS 80 HB3 LYS 80 2.382 5.773 -10.978 416 HG2 LYS 80 HG2 LYS 80 2.839 7.670 -12.486 417 HG3 LYS 80 HG3 LYS 80 2.938 6.573 -13.877 418 HD2 LYS 80 HD2 LYS 80 0.442 6.062 -13.325 419 HD3 LYS 80 HD3 LYS 80 0.511 7.542 -12.355 420 HE2 LYS 80 HE2 LYS 80 1.074 7.213 -15.337 421 HE3 LYS 80 HE3 LYS 80 -0.303 8.057 -14.619 422 HZ1 LYS 80 HZ1 LYS 80 2.528 8.980 -14.352 423 HZ2 LYS 80 HZ2 LYS 80 1.436 9.555 -15.452 424 HZ3 LYS 80 HZ3 LYS 80 1.179 9.802 -13.880 425 H GLU 81 H GLU 81 4.535 6.131 -9.474 426 HA GLU 81 HA GLU 81 6.767 7.738 -9.368 427 HB2 GLU 81 HB2 GLU 81 5.579 9.440 -10.864 428 HB3 GLU 81 HB3 GLU 81 4.365 9.618 -9.602 429 HG2 GLU 81 HG2 GLU 81 6.240 10.344 -8.045 430 HG3 GLU 81 HG3 GLU 81 7.352 10.230 -9.404 431 H MET 82 H MET 82 3.432 7.540 -8.190 432 HA MET 82 HA MET 82 3.008 9.062 -6.136 433 HB2 MET 82 HB2 MET 82 2.635 6.047 -6.202 434 HB3 MET 82 HB3 MET 82 1.944 7.054 -4.929 435 HG2 MET 82 HG2 MET 82 0.352 6.519 -6.545 436 HG3 MET 82 HG3 MET 82 0.611 8.262 -6.470 437 HE1 MET 82 HE1 MET 82 2.132 9.555 -8.359 438 HE2 MET 82 HE2 MET 82 1.454 9.311 -9.983 439 HE3 MET 82 HE3 MET 82 0.374 9.605 -8.603 440 H LEU 83 H LEU 83 4.463 6.021 -5.346 441 HA LEU 83 HA LEU 83 6.218 7.143 -3.265 442 HB2 LEU 83 HB2 LEU 83 5.262 6.187 -1.411 443 HB3 LEU 83 HB3 LEU 83 3.868 6.730 -2.295 444 HG LEU 83 HG LEU 83 4.870 3.880 -1.930 445 HD11 LEU 83 HD11 LEU 83 2.234 5.240 -1.237 446 HD12 LEU 83 HD12 LEU 83 2.687 3.558 -0.868 447 HD13 LEU 83 HD13 LEU 83 3.555 4.895 -0.099 448 HD21 LEU 83 HD21 LEU 83 4.115 3.954 -4.215 449 HD22 LEU 83 HD22 LEU 83 2.878 3.142 -3.235 450 HD23 LEU 83 HD23 LEU 83 2.632 4.829 -3.755 451 H SER 84 H SER 84 7.208 5.016 -2.034 452 HA SER 84 HA SER 84 7.837 2.912 -3.994 453 HB2 SER 84 HB2 SER 84 10.040 4.648 -2.833 454 HB3 SER 84 HB3 SER 84 10.276 3.072 -3.603 455 HG SER 84 HG SER 84 9.022 5.281 -4.852 456 H THR 85 H THR 85 9.384 1.270 -2.866 457 HA THR 85 HA THR 85 8.707 1.076 -0.003 458 HB THR 85 HB THR 85 6.790 0.182 -1.104 459 HG1 THR 85 HG1 THR 85 6.712 -1.811 -0.250 460 HG21 THR 85 HG21 THR 85 8.678 -1.628 -2.629 461 HG22 THR 85 HG22 THR 85 6.907 -1.781 -2.630 462 HG23 THR 85 HG23 THR 85 7.664 -0.320 -3.306 463 H GLU 86 H GLU 86 10.087 -0.204 1.177 464 HA GLU 86 HA GLU 86 12.355 -1.529 -0.276 465 HB2 GLU 86 HB2 GLU 86 12.537 0.351 2.104 466 HB3 GLU 86 HB3 GLU 86 13.818 -0.784 1.652 467 HG2 GLU 86 HG2 GLU 86 13.943 0.269 -0.613 468 HG3 GLU 86 HG3 GLU 86 12.743 1.460 -0.095 469 H LYS 87 H LYS 87 13.335 -3.326 0.787 470 HA LYS 87 HA LYS 87 11.663 -4.885 2.598 471 HB2 LYS 87 HB2 LYS 87 13.200 -5.731 0.702 472 HB3 LYS 87 HB3 LYS 87 14.561 -5.285 1.744 473 HG2 LYS 87 HG2 LYS 87 13.376 -6.786 3.544 474 HG3 LYS 87 HG3 LYS 87 12.364 -7.337 2.195 475 HD2 LYS 87 HD2 LYS 87 14.644 -7.753 0.976 476 HD3 LYS 87 HD3 LYS 87 15.365 -7.588 2.598 477 HE2 LYS 87 HE2 LYS 87 13.341 -9.234 3.207 478 HE3 LYS 87 HE3 LYS 87 13.450 -9.629 1.482 479 HZ1 LYS 87 HZ1 LYS 87 15.484 -9.976 3.601 480 HZ2 LYS 87 HZ2 LYS 87 14.853 -11.149 2.626 481 HZ3 LYS 87 HZ3 LYS 87 15.907 -10.053 2.000 482 H GLU 88 H GLU 88 11.839 -4.794 4.836 483 HA GLU 88 HA GLU 88 14.461 -3.857 5.991 484 HB2 GLU 88 HB2 GLU 88 11.664 -3.316 6.995 485 HB3 GLU 88 HB3 GLU 88 13.094 -3.183 8.023 486 HG2 GLU 88 HG2 GLU 88 12.932 -1.654 5.387 487 HG3 GLU 88 HG3 GLU 88 12.158 -1.065 6.844 488 H GLY 89 H GLY 89 15.312 -5.852 5.930 489 HA2 GLY 89 HA2 GLY 89 15.965 -7.871 6.711 490 HA3 GLY 89 HA3 GLY 89 14.830 -7.706 8.049 491 H ARG 90 H ARG 90 12.473 -8.006 7.340 492 HA ARG 90 HA ARG 90 12.259 -10.392 5.527 493 HB2 ARG 90 HB2 ARG 90 11.073 -11.703 7.109 494 HB3 ARG 90 HB3 ARG 90 12.621 -11.216 7.788 495 HG2 ARG 90 HG2 ARG 90 11.416 -9.447 9.147 496 HG3 ARG 90 HG3 ARG 90 9.895 -10.056 8.484 497 HD2 ARG 90 HD2 ARG 90 9.937 -11.197 10.481 498 HD3 ARG 90 HD3 ARG 90 10.665 -12.383 9.416 499 HE ARG 90 HE ARG 90 12.746 -12.100 10.481 500 HH11 ARG 90 HH11 ARG 90 10.420 -9.910 11.962 501 HH12 ARG 90 HH12 ARG 90 11.504 -9.600 13.310 502 HH21 ARG 90 HH21 ARG 90 13.971 -11.685 12.333 503 HH22 ARG 90 HH22 ARG 90 13.391 -10.456 13.446 504 H LYS 91 H LYS 91 10.205 -7.919 7.214 505 HA LYS 91 HA LYS 91 8.079 -8.282 5.265 506 HB2 LYS 91 HB2 LYS 91 8.119 -7.965 7.849 507 HB3 LYS 91 HB3 LYS 91 8.420 -6.258 7.523 508 HG2 LYS 91 HG2 LYS 91 6.300 -5.949 6.635 509 HG3 LYS 91 HG3 LYS 91 6.112 -7.652 6.160 510 HD2 LYS 91 HD2 LYS 91 6.464 -7.004 9.066 511 HD3 LYS 91 HD3 LYS 91 4.865 -6.680 8.331 512 HE2 LYS 91 HE2 LYS 91 4.843 -9.079 7.509 513 HE3 LYS 91 HE3 LYS 91 6.344 -9.356 8.377 514 HZ1 LYS 91 HZ1 LYS 91 3.696 -8.773 9.598 515 HZ2 LYS 91 HZ2 LYS 91 4.624 -10.105 9.764 516 HZ3 LYS 91 HZ3 LYS 91 5.069 -8.697 10.464 517 H PHE 92 H PHE 92 7.132 -6.024 4.476 518 HA PHE 92 HA PHE 92 9.346 -4.373 3.280 519 HB2 PHE 92 HB2 PHE 92 6.733 -5.332 2.166 520 HB3 PHE 92 HB3 PHE 92 7.340 -3.755 1.675 521 HD1 PHE 92 HD2 PHE 92 8.171 -7.334 1.941 522 HD2 PHE 92 HD1 PHE 92 9.182 -3.534 0.220 523 HE1 PHE 92 HE2 PHE 92 9.874 -8.454 0.471 524 HE2 PHE 92 HE1 PHE 92 10.836 -4.621 -1.268 525 HZ PHE 92 HZ PHE 92 11.195 -7.094 -1.151 526 H VAL 93 H VAL 93 9.119 -2.193 3.125 527 HA VAL 93 HA VAL 93 7.071 -0.812 4.793 528 HB VAL 93 HB VAL 93 10.021 -0.126 4.468 529 HG11 VAL 93 HG11 VAL 93 7.721 1.440 5.730 530 HG12 VAL 93 HG12 VAL 93 9.430 1.799 6.038 531 HG13 VAL 93 HG13 VAL 93 8.783 1.947 4.396 532 HG21 VAL 93 HG21 VAL 93 9.715 -1.853 6.098 533 HG22 VAL 93 HG22 VAL 93 9.928 -0.338 6.988 534 HG23 VAL 93 HG23 VAL 93 8.292 -1.032 6.805 535 H TYR 94 H TYR 94 5.729 0.093 3.480 536 HA TYR 94 HA TYR 94 6.502 1.380 0.933 537 HB2 TYR 94 HB2 TYR 94 3.869 0.744 2.306 538 HB3 TYR 94 HB3 TYR 94 3.973 1.817 0.923 539 HD1 TYR 94 HD2 TYR 94 4.727 -1.744 1.996 540 HD2 TYR 94 HD1 TYR 94 4.129 1.023 -1.280 541 HE1 TYR 94 HE2 TYR 94 4.661 -3.647 0.388 542 HE2 TYR 94 HE1 TYR 94 4.124 -0.875 -2.875 543 HH TYR 94 HH TYR 94 4.193 -3.171 -3.124 544 H ARG 95 H ARG 95 7.156 3.359 0.927 545 HA ARG 95 HA ARG 95 6.075 5.480 2.718 546 HB2 ARG 95 HB2 ARG 95 8.454 6.077 3.355 547 HB3 ARG 95 HB3 ARG 95 7.848 4.567 4.014 548 HG2 ARG 95 HG2 ARG 95 9.104 3.263 2.375 549 HG3 ARG 95 HG3 ARG 95 9.660 4.746 1.571 550 HD2 ARG 95 HD2 ARG 95 10.154 4.414 4.543 551 HD3 ARG 95 HD3 ARG 95 11.100 3.422 3.442 552 HE ARG 95 HE ARG 95 11.374 6.261 3.944 553 HH11 ARG 95 HH11 ARG 95 11.759 3.899 1.448 554 HH12 ARG 95 HH12 ARG 95 13.398 4.268 1.117 555 HH21 ARG 95 HH21 ARG 95 13.409 7.077 3.102 556 HH22 ARG 95 HH22 ARG 95 14.080 6.322 1.660 557 HA PRO 96 HA PRO 96 7.029 8.119 -0.802 558 HB2 PRO 96 HB2 PRO 96 7.697 10.520 0.338 559 HB3 PRO 96 HB3 PRO 96 6.024 9.886 0.312 560 HG2 PRO 96 HG2 PRO 96 8.061 9.686 2.556 561 HG3 PRO 96 HG3 PRO 96 6.355 10.230 2.659 562 HD2 PRO 96 HD2 PRO 96 7.075 7.695 3.277 563 HD3 PRO 96 HD3 PRO 96 5.541 8.021 2.431 564 H LEU 97 H LEU 97 8.824 9.371 -1.763 565 HA LEU 97 HA LEU 97 11.486 8.300 -1.193 566 HB2 LEU 97 HB2 LEU 97 10.259 10.217 -3.182 567 HB3 LEU 97 HB3 LEU 97 11.946 10.437 -2.817 568 HG LEU 97 HG LEU 97 11.596 9.156 -4.833 569 HD11 LEU 97 HD11 LEU 97 12.993 7.586 -2.622 570 HD12 LEU 97 HD12 LEU 97 13.232 7.383 -4.365 571 HD13 LEU 97 HD13 LEU 97 13.685 8.904 -3.582 572 HD21 LEU 97 HD21 LEU 97 9.570 7.929 -4.142 573 HD22 LEU 97 HD22 LEU 97 10.840 6.858 -4.785 574 HD23 LEU 97 HD23 LEU 97 10.557 6.936 -3.037 575 H MET 98 H MET 98 13.223 9.479 -0.474 576 HA MET 98 HA MET 98 12.939 12.170 0.678 577 HB2 MET 98 HB2 MET 98 12.315 10.657 2.564 578 HB3 MET 98 HB3 MET 98 13.826 9.775 2.345 579 HG2 MET 98 HG2 MET 98 15.054 11.960 2.827 580 HG3 MET 98 HG3 MET 98 13.487 12.665 3.207 581 HE1 MET 98 HE1 MET 98 16.455 10.477 4.316 582 HE2 MET 98 HE2 MET 98 15.826 9.521 5.674 583 HE3 MET 98 HE3 MET 98 15.298 9.168 4.020 584 H GLU 99 H GLU 99 14.883 9.267 0.129 585 HA GLU 99 HA GLU 99 16.872 10.578 -1.463 586 HB2 GLU 99 HB2 GLU 99 18.778 9.635 -0.224 587 HB3 GLU 99 HB3 GLU 99 17.921 10.884 0.679 588 HG2 GLU 99 HG2 GLU 99 16.837 9.156 2.088 589 HG3 GLU 99 HG3 GLU 99 17.680 7.893 1.185 Start of MODEL 9 1 H PHE 31 H1 PHE 31 -16.301 13.287 -18.396 2 HA PHE 31 HA PHE 31 -13.999 13.917 -18.829 3 HB2 PHE 31 HB2 PHE 31 -14.719 16.430 -18.532 4 HB3 PHE 31 HB3 PHE 31 -14.411 16.148 -16.828 5 HD1 PHE 31 HD2 PHE 31 -11.995 15.228 -16.200 6 HD2 PHE 31 HD1 PHE 31 -12.989 16.991 -20.020 7 HE1 PHE 31 HE2 PHE 31 -9.594 15.584 -16.668 8 HE2 PHE 31 HE1 PHE 31 -10.585 17.386 -20.456 9 HZ PHE 31 HZ PHE 31 -8.876 16.656 -18.797 10 H ASN 32 H ASN 32 -12.587 12.771 -17.470 11 HA ASN 32 HA ASN 32 -13.224 12.418 -14.615 12 HB2 ASN 32 HB2 ASN 32 -14.401 10.662 -16.397 13 HB3 ASN 32 HB3 ASN 32 -12.885 9.825 -16.072 14 HD21 ASN 32 HD22 ASN 32 -16.063 10.150 -15.023 15 HD22 ASN 32 HD21 ASN 32 -15.786 9.571 -13.385 16 H VAL 33 H VAL 33 -11.500 10.497 -13.852 17 HA VAL 33 HA VAL 33 -8.845 10.999 -15.098 18 HB VAL 33 HB VAL 33 -7.791 11.352 -12.901 19 HG11 VAL 33 HG11 VAL 33 -9.854 13.494 -13.496 20 HG12 VAL 33 HG12 VAL 33 -8.286 13.697 -12.684 21 HG13 VAL 33 HG13 VAL 33 -8.344 13.253 -14.401 22 HG21 VAL 33 HG21 VAL 33 -9.526 10.425 -11.395 23 HG22 VAL 33 HG22 VAL 33 -9.063 12.073 -10.945 24 HG23 VAL 33 HG23 VAL 33 -10.594 11.784 -11.795 25 H SER 34 H SER 34 -7.141 9.488 -14.107 26 HA SER 34 HA SER 34 -8.419 6.799 -13.771 27 HB2 SER 34 HB2 SER 34 -7.527 7.363 -16.063 28 HB3 SER 34 HB3 SER 34 -5.906 7.434 -15.344 29 HG SER 34 HG SER 34 -7.675 5.225 -15.563 30 H ASN 35 H ASN 35 -8.021 6.036 -11.804 31 HA ASN 35 HA ASN 35 -5.294 5.659 -10.884 32 HB2 ASN 35 HB2 ASN 35 -6.177 8.014 -10.057 33 HB3 ASN 35 HB3 ASN 35 -7.113 7.069 -8.902 34 HD21 ASN 35 HD22 ASN 35 -4.213 8.770 -9.185 35 HD22 ASN 35 HD21 ASN 35 -3.267 7.783 -8.103 36 H ALA 36 H ALA 36 -5.568 4.432 -8.549 37 HA ALA 36 HA ALA 36 -7.382 2.149 -8.956 38 HB1 ALA 36 HB1 ALA 36 -5.433 2.844 -6.714 39 HB2 ALA 36 HB2 ALA 36 -6.283 1.294 -6.940 40 HB3 ALA 36 HB3 ALA 36 -5.083 1.827 -8.134 41 H GLU 37 H GLU 37 -7.013 4.710 -6.469 42 HA GLU 37 HA GLU 37 -9.757 5.343 -6.291 43 HB2 GLU 37 HB2 GLU 37 -9.022 3.107 -4.580 44 HB3 GLU 37 HB3 GLU 37 -9.282 4.495 -3.557 45 HG2 GLU 37 HG2 GLU 37 -11.279 3.519 -5.648 46 HG3 GLU 37 HG3 GLU 37 -11.281 3.022 -3.954 47 H LEU 38 H LEU 38 -10.038 7.128 -4.731 48 HA LEU 38 HA LEU 38 -7.665 8.782 -4.349 49 HB2 LEU 38 HB2 LEU 38 -10.517 9.142 -4.335 50 HB3 LEU 38 HB3 LEU 38 -9.963 9.517 -2.710 51 HG LEU 38 HG LEU 38 -8.239 11.084 -3.729 52 HD11 LEU 38 HD11 LEU 38 -9.888 10.616 -6.264 53 HD12 LEU 38 HD12 LEU 38 -8.667 11.890 -6.039 54 HD13 LEU 38 HD13 LEU 38 -8.179 10.192 -6.052 55 HD21 LEU 38 HD21 LEU 38 -10.405 11.863 -2.798 56 HD22 LEU 38 HD22 LEU 38 -9.872 12.861 -4.164 57 HD23 LEU 38 HD23 LEU 38 -11.153 11.658 -4.397 58 H ILE 39 H ILE 39 -9.426 6.435 -2.458 59 HA ILE 39 HA ILE 39 -8.661 6.789 0.163 60 HB ILE 39 HB ILE 39 -8.615 4.091 -1.175 61 HG12 ILE 39 HG12 ILE 39 -10.906 5.705 0.037 62 HG13 ILE 39 HG13 ILE 39 -10.747 5.183 -1.639 63 HG21 ILE 39 HG21 ILE 39 -9.065 4.932 1.736 64 HG22 ILE 39 HG22 ILE 39 -9.029 3.268 1.115 65 HG23 ILE 39 HG23 ILE 39 -7.561 4.211 1.120 66 HD11 ILE 39 HD11 ILE 39 -11.254 3.437 0.778 67 HD12 ILE 39 HD12 ILE 39 -12.334 3.718 -0.590 68 HD13 ILE 39 HD13 ILE 39 -10.862 2.770 -0.826 69 H VAL 40 H VAL 40 -6.679 4.972 -2.242 70 HA VAL 40 HA VAL 40 -4.608 4.407 -0.357 71 HB VAL 40 HB VAL 40 -3.349 3.416 -2.154 72 HG11 VAL 40 HG11 VAL 40 -6.315 2.723 -2.403 73 HG12 VAL 40 HG12 VAL 40 -4.945 1.671 -2.779 74 HG13 VAL 40 HG13 VAL 40 -5.236 2.164 -1.107 75 HG21 VAL 40 HG21 VAL 40 -3.872 5.042 -4.000 76 HG22 VAL 40 HG22 VAL 40 -4.062 3.355 -4.461 77 HG23 VAL 40 HG23 VAL 40 -5.495 4.337 -4.107 78 H MET 41 H MET 41 -4.984 7.146 -2.445 79 HA MET 41 HA MET 41 -2.243 8.092 -2.318 80 HB2 MET 41 HB2 MET 41 -4.001 8.590 -4.095 81 HB3 MET 41 HB3 MET 41 -4.799 9.639 -2.911 82 HG2 MET 41 HG2 MET 41 -2.734 11.038 -2.803 83 HG3 MET 41 HG3 MET 41 -1.937 9.931 -3.912 84 HE1 MET 41 HE1 MET 41 -4.552 12.768 -3.414 85 HE2 MET 41 HE2 MET 41 -5.314 12.912 -5.006 86 HE3 MET 41 HE3 MET 41 -5.656 11.502 -3.995 87 H ARG 42 H ARG 42 -4.751 8.019 0.000 88 HA ARG 42 HA ARG 42 -3.670 10.407 1.469 89 HB2 ARG 42 HB2 ARG 42 -6.013 10.444 0.362 90 HB3 ARG 42 HB3 ARG 42 -6.518 9.375 1.684 91 HG2 ARG 42 HG2 ARG 42 -5.697 11.128 3.317 92 HG3 ARG 42 HG3 ARG 42 -5.222 12.129 1.945 93 HD2 ARG 42 HD2 ARG 42 -7.720 11.823 1.202 94 HD3 ARG 42 HD3 ARG 42 -7.997 11.387 2.894 95 HE ARG 42 HE ARG 42 -6.806 13.640 3.398 96 HH11 ARG 42 HH11 ARG 42 -8.912 13.216 0.578 97 HH12 ARG 42 HH12 ARG 42 -9.070 14.969 0.401 98 HH21 ARG 42 HH21 ARG 42 -7.258 15.861 3.090 99 HH22 ARG 42 HH22 ARG 42 -8.269 16.305 1.715 100 H VAL 43 H VAL 43 -4.858 7.070 2.048 101 HA VAL 43 HA VAL 43 -4.492 7.024 4.887 102 HB VAL 43 HB VAL 43 -5.339 5.017 4.230 103 HG11 VAL 43 HG11 VAL 43 -4.395 3.553 2.348 104 HG12 VAL 43 HG12 VAL 43 -5.310 4.977 1.931 105 HG13 VAL 43 HG13 VAL 43 -3.536 5.009 1.803 106 HG21 VAL 43 HG21 VAL 43 -3.359 4.441 5.632 107 HG22 VAL 43 HG22 VAL 43 -3.783 3.142 4.481 108 HG23 VAL 43 HG23 VAL 43 -2.398 4.196 4.176 109 H ILE 44 H ILE 44 -2.095 6.244 2.382 110 HA ILE 44 HA ILE 44 -0.014 5.778 4.239 111 HB ILE 44 HB ILE 44 -0.025 6.273 1.236 112 HG12 ILE 44 HG12 ILE 44 0.151 3.700 2.881 113 HG13 ILE 44 HG13 ILE 44 -1.359 4.293 2.235 114 HG21 ILE 44 HG21 ILE 44 2.177 5.314 3.111 115 HG22 ILE 44 HG22 ILE 44 2.246 5.141 1.334 116 HG23 ILE 44 HG23 ILE 44 2.200 6.746 2.077 117 HD11 ILE 44 HD11 ILE 44 1.010 3.410 0.561 118 HD12 ILE 44 HD12 ILE 44 -0.561 2.611 0.751 119 HD13 ILE 44 HD13 ILE 44 -0.472 4.183 -0.065 120 H TRP 45 H TRP 45 -1.036 8.717 2.733 121 HA TRP 45 HA TRP 45 1.341 10.334 3.142 122 HB2 TRP 45 HB2 TRP 45 -0.380 11.131 1.661 123 HB3 TRP 45 HB3 TRP 45 -1.620 10.975 2.902 124 HD1 TRP 45 HD1 TRP 45 -2.016 12.915 4.503 125 HE1 TRP 45 HE1 TRP 45 -0.903 15.135 5.054 126 HE3 TRP 45 HE3 TRP 45 2.072 12.521 1.453 127 HZ2 TRP 45 HZ2 TRP 45 1.472 16.596 4.251 128 HZ3 TRP 45 HZ3 TRP 45 3.798 14.319 1.438 129 HH2 TRP 45 HH2 TRP 45 3.522 16.338 2.860 130 H SER 46 H SER 46 -1.091 9.144 5.341 131 HA SER 46 HA SER 46 -0.556 11.204 7.415 132 HB2 SER 46 HB2 SER 46 -2.812 10.178 7.080 133 HB3 SER 46 HB3 SER 46 -2.137 8.621 7.689 134 HG SER 46 HG SER 46 -2.857 9.583 9.489 135 H LEU 47 H LEU 47 -0.029 7.703 6.985 136 HA LEU 47 HA LEU 47 1.274 7.193 9.426 137 HB2 LEU 47 HB2 LEU 47 -0.144 5.947 7.390 138 HB3 LEU 47 HB3 LEU 47 1.478 5.443 6.977 139 HG LEU 47 HG LEU 47 0.213 5.135 9.754 140 HD11 LEU 47 HD11 LEU 47 0.388 3.223 7.400 141 HD12 LEU 47 HD12 LEU 47 -0.248 2.830 9.020 142 HD13 LEU 47 HD13 LEU 47 -1.074 4.045 8.013 143 HD21 LEU 47 HD21 LEU 47 2.588 5.105 9.842 144 HD22 LEU 47 HD22 LEU 47 2.095 3.398 9.886 145 HD23 LEU 47 HD23 LEU 47 2.728 4.142 8.378 146 H GLY 48 H GLY 48 2.406 7.710 6.127 147 HA2 GLY 48 HA2 GLY 48 4.402 8.618 5.369 148 HA3 GLY 48 HA3 GLY 48 5.070 8.560 6.996 149 H GLU 49 H GLU 49 5.319 6.129 7.777 150 HA GLU 49 HA GLU 49 6.611 4.521 5.617 151 HB2 GLU 49 HB2 GLU 49 8.212 5.864 6.899 152 HB3 GLU 49 HB3 GLU 49 7.622 5.134 8.415 153 HG2 GLU 49 HG2 GLU 49 8.362 2.971 7.667 154 HG3 GLU 49 HG3 GLU 49 8.971 3.715 6.163 155 H ALA 50 H ALA 50 5.400 2.799 5.420 156 HA ALA 50 HA ALA 50 4.039 1.633 7.837 157 HB1 ALA 50 HB1 ALA 50 3.002 2.044 5.002 158 HB2 ALA 50 HB2 ALA 50 2.084 1.356 6.363 159 HB3 ALA 50 HB3 ALA 50 2.598 3.057 6.392 160 H ARG 51 H ARG 51 3.644 -0.600 7.891 161 HA ARG 51 HA ARG 51 5.342 -2.320 6.172 162 HB2 ARG 51 HB2 ARG 51 3.409 -2.811 8.488 163 HB3 ARG 51 HB3 ARG 51 3.803 -4.101 7.376 164 HG2 ARG 51 HG2 ARG 51 5.247 -4.448 9.101 165 HG3 ARG 51 HG3 ARG 51 6.245 -3.729 7.837 166 HD2 ARG 51 HD2 ARG 51 6.070 -1.528 9.044 167 HD3 ARG 51 HD3 ARG 51 5.156 -2.322 10.326 168 HE ARG 51 HE ARG 51 8.011 -2.368 9.902 169 HH11 ARG 51 HH11 ARG 51 5.471 -4.195 11.500 170 HH12 ARG 51 HH12 ARG 51 6.614 -5.227 12.325 171 HH21 ARG 51 HH21 ARG 51 9.377 -3.551 11.118 172 HH22 ARG 51 HH22 ARG 51 8.807 -4.730 12.234 173 H VAL 52 H VAL 52 4.435 -3.885 4.687 174 HA VAL 52 HA VAL 52 2.349 -3.299 3.041 175 HB VAL 52 HB VAL 52 3.399 -4.852 1.983 176 HG11 VAL 52 HG11 VAL 52 4.198 -6.100 4.634 177 HG12 VAL 52 HG12 VAL 52 4.784 -6.628 3.032 178 HG13 VAL 52 HG13 VAL 52 5.148 -4.979 3.608 179 HG21 VAL 52 HG21 VAL 52 1.279 -5.881 2.181 180 HG22 VAL 52 HG22 VAL 52 2.550 -7.116 2.084 181 HG23 VAL 52 HG23 VAL 52 1.774 -6.769 3.666 182 H ASP 53 H ASP 53 2.122 -5.268 5.961 183 HA ASP 53 HA ASP 53 -0.680 -5.806 5.465 184 HB2 ASP 53 HB2 ASP 53 -0.540 -7.048 7.492 185 HB3 ASP 53 HB3 ASP 53 0.697 -7.469 6.358 186 H GLU 54 H GLU 54 0.926 -3.076 6.687 187 HA GLU 54 HA GLU 54 -1.389 -2.074 8.284 188 HB2 GLU 54 HB2 GLU 54 1.402 -1.342 7.963 189 HB3 GLU 54 HB3 GLU 54 0.446 -0.010 7.412 190 HG2 GLU 54 HG2 GLU 54 0.591 -1.366 10.120 191 HG3 GLU 54 HG3 GLU 54 0.940 0.318 9.752 192 H ILE 55 H ILE 55 0.257 -1.332 5.186 193 HA ILE 55 HA ILE 55 -1.651 0.636 4.306 194 HB ILE 55 HB ILE 55 -0.825 0.169 1.990 195 HG12 ILE 55 HG12 ILE 55 0.691 -1.910 3.539 196 HG13 ILE 55 HG13 ILE 55 -0.306 -2.184 2.081 197 HG21 ILE 55 HG21 ILE 55 1.436 0.368 3.979 198 HG22 ILE 55 HG22 ILE 55 1.274 1.118 2.341 199 HG23 ILE 55 HG23 ILE 55 0.269 1.685 3.724 200 HD11 ILE 55 HD11 ILE 55 2.473 -1.206 2.489 201 HD12 ILE 55 HD12 ILE 55 1.847 -2.435 1.352 202 HD13 ILE 55 HD13 ILE 55 1.626 -0.668 1.019 203 H TYR 56 H TYR 56 -1.609 -2.943 3.832 204 HA TYR 56 HA TYR 56 -4.105 -3.107 2.489 205 HB2 TYR 56 HB2 TYR 56 -2.578 -4.918 2.724 206 HB3 TYR 56 HB3 TYR 56 -2.460 -4.755 4.451 207 HD1 TYR 56 HD1 TYR 56 -5.506 -5.100 2.267 208 HD2 TYR 56 HD2 TYR 56 -3.068 -6.702 5.415 209 HE1 TYR 56 HE1 TYR 56 -7.282 -6.749 2.750 210 HE2 TYR 56 HE2 TYR 56 -4.926 -8.320 6.013 211 HH TYR 56 HH TYR 56 -8.009 -8.341 4.236 212 H ALA 57 H ALA 57 -3.399 -2.813 5.997 213 HA ALA 57 HA ALA 57 -5.916 -3.864 6.858 214 HB1 ALA 57 HB1 ALA 57 -4.095 -1.867 8.257 215 HB2 ALA 57 HB2 ALA 57 -5.356 -2.846 9.019 216 HB3 ALA 57 HB3 ALA 57 -3.935 -3.643 8.316 217 H GLN 58 H GLN 58 -5.104 -0.747 5.606 218 HA GLN 58 HA GLN 58 -7.369 0.688 6.764 219 HB2 GLN 58 HB2 GLN 58 -4.991 1.239 5.081 220 HB3 GLN 58 HB3 GLN 58 -6.413 2.073 4.499 221 HG2 GLN 58 HG2 GLN 58 -5.401 3.529 5.983 222 HG3 GLN 58 HG3 GLN 58 -6.858 2.942 6.770 223 HE21 GLN 58 HE22 GLN 58 -3.958 0.819 6.851 224 HE22 GLN 58 HE21 GLN 58 -3.484 1.276 8.443 225 H ILE 59 H ILE 59 -6.989 -1.386 4.080 226 HA ILE 59 HA ILE 59 -9.260 -0.394 2.549 227 HB ILE 59 HB ILE 59 -7.432 -2.667 1.821 228 HG12 ILE 59 HG12 ILE 59 -6.899 0.320 1.652 229 HG13 ILE 59 HG13 ILE 59 -5.925 -0.922 2.421 230 HG21 ILE 59 HG21 ILE 59 -8.991 -0.604 0.209 231 HG22 ILE 59 HG22 ILE 59 -8.113 -2.021 -0.429 232 HG23 ILE 59 HG23 ILE 59 -9.554 -2.256 0.549 233 HD11 ILE 59 HD11 ILE 59 -6.350 -0.530 -0.527 234 HD12 ILE 59 HD12 ILE 59 -4.847 -0.368 0.416 235 HD13 ILE 59 HD13 ILE 59 -5.595 -1.977 0.209 236 HA PRO 60 HA PRO 60 -11.546 -3.787 4.727 237 HB2 PRO 60 HB2 PRO 60 -14.127 -2.987 4.106 238 HB3 PRO 60 HB3 PRO 60 -13.152 -2.368 5.473 239 HG2 PRO 60 HG2 PRO 60 -13.523 -1.128 2.736 240 HG3 PRO 60 HG3 PRO 60 -13.609 -0.331 4.339 241 HD2 PRO 60 HD2 PRO 60 -11.378 -0.209 2.809 242 HD3 PRO 60 HD3 PRO 60 -11.257 -0.377 4.587 243 H GLN 61 H GLN 61 -11.350 -5.698 3.717 244 HA GLN 61 HA GLN 61 -11.552 -6.105 0.938 245 HB2 GLN 61 HB2 GLN 61 -10.861 -8.193 1.239 246 HB3 GLN 61 HB3 GLN 61 -10.275 -7.429 2.697 247 HG2 GLN 61 HG2 GLN 61 -11.348 -8.968 3.912 248 HG3 GLN 61 HG3 GLN 61 -12.889 -8.359 3.313 249 HE21 GLN 61 HE22 GLN 61 -13.241 -9.211 0.777 250 HE22 GLN 61 HE21 GLN 61 -12.964 -10.939 0.668 251 H GLU 62 H GLU 62 -14.208 -5.822 3.043 252 HA GLU 62 HA GLU 62 -15.972 -7.579 1.561 253 HB2 GLU 62 HB2 GLU 62 -16.712 -5.517 3.659 254 HB3 GLU 62 HB3 GLU 62 -17.741 -6.803 2.993 255 HG2 GLU 62 HG2 GLU 62 -15.796 -8.406 3.709 256 HG3 GLU 62 HG3 GLU 62 -15.282 -7.072 4.734 257 H LEU 63 H LEU 63 -14.773 -4.487 0.718 258 HA LEU 63 HA LEU 63 -16.953 -3.420 -0.814 259 HB2 LEU 63 HB2 LEU 63 -13.938 -3.427 -1.285 260 HB3 LEU 63 HB3 LEU 63 -15.090 -2.510 -2.239 261 HG LEU 63 HG LEU 63 -14.426 -2.075 0.704 262 HD11 LEU 63 HD11 LEU 63 -13.898 -0.413 -1.808 263 HD12 LEU 63 HD12 LEU 63 -13.459 0.076 -0.156 264 HD13 LEU 63 HD13 LEU 63 -12.690 -1.340 -0.901 265 HD21 LEU 63 HD21 LEU 63 -16.756 -1.585 0.335 266 HD22 LEU 63 HD22 LEU 63 -15.868 -0.055 0.445 267 HD23 LEU 63 HD23 LEU 63 -16.373 -0.685 -1.151 268 H GLU 64 H GLU 64 -14.302 -5.491 -1.774 269 HA GLU 64 HA GLU 64 -15.526 -7.402 -3.410 270 HB2 GLU 64 HB2 GLU 64 -14.890 -6.408 -5.700 271 HB3 GLU 64 HB3 GLU 64 -16.395 -5.937 -4.953 272 HG2 GLU 64 HG2 GLU 64 -15.719 -3.752 -4.527 273 HG3 GLU 64 HG3 GLU 64 -14.019 -4.162 -4.485 274 H TRP 65 H TRP 65 -12.650 -5.840 -2.349 275 HA TRP 65 HA TRP 65 -10.891 -7.354 -4.172 276 HB2 TRP 65 HB2 TRP 65 -10.344 -5.203 -2.102 277 HB3 TRP 65 HB3 TRP 65 -9.150 -5.870 -3.200 278 HD1 TRP 65 HD1 TRP 65 -11.970 -5.620 -5.384 279 HE1 TRP 65 HE1 TRP 65 -12.221 -3.416 -6.539 280 HE3 TRP 65 HE3 TRP 65 -8.419 -2.969 -2.777 281 HZ2 TRP 65 HZ2 TRP 65 -11.026 -0.745 -6.393 282 HZ3 TRP 65 HZ3 TRP 65 -7.861 -0.674 -3.463 283 HH2 TRP 65 HH2 TRP 65 -9.201 0.484 -5.218 284 H SER 66 H SER 66 -8.655 -7.890 -3.049 285 HA SER 66 HA SER 66 -9.017 -9.389 -0.486 286 HB2 SER 66 HB2 SER 66 -7.419 -10.539 -2.782 287 HB3 SER 66 HB3 SER 66 -8.033 -11.357 -1.336 288 HG SER 66 HG SER 66 -10.199 -10.757 -2.346 289 H LEU 67 H LEU 67 -6.701 -9.933 0.538 290 HA LEU 67 HA LEU 67 -4.964 -7.882 0.580 291 HB2 LEU 67 HB2 LEU 67 -5.108 -10.392 1.689 292 HB3 LEU 67 HB3 LEU 67 -3.675 -10.539 0.693 293 HG LEU 67 HG LEU 67 -4.274 -8.785 3.051 294 HD11 LEU 67 HD11 LEU 67 -1.919 -10.487 2.237 295 HD12 LEU 67 HD12 LEU 67 -2.121 -9.661 3.808 296 HD13 LEU 67 HD13 LEU 67 -3.241 -10.955 3.325 297 HD21 LEU 67 HD21 LEU 67 -3.429 -7.109 1.638 298 HD22 LEU 67 HD22 LEU 67 -2.087 -7.544 2.667 299 HD23 LEU 67 HD23 LEU 67 -2.196 -8.174 0.972 300 H ALA 68 H ALA 68 -4.824 -10.648 -1.703 301 HA ALA 68 HA ALA 68 -2.443 -10.048 -3.056 302 HB1 ALA 68 HB1 ALA 68 -5.035 -11.256 -4.129 303 HB2 ALA 68 HB2 ALA 68 -3.438 -11.369 -4.896 304 HB3 ALA 68 HB3 ALA 68 -3.713 -12.134 -3.317 305 H THR 69 H THR 69 -5.647 -8.520 -3.438 306 HA THR 69 HA THR 69 -5.103 -7.057 -5.818 307 HB THR 69 HB THR 69 -6.942 -6.186 -3.573 308 HG1 THR 69 HG1 THR 69 -7.801 -7.652 -5.795 309 HG21 THR 69 HG21 THR 69 -6.588 -5.508 -6.493 310 HG22 THR 69 HG22 THR 69 -8.157 -5.246 -5.665 311 HG23 THR 69 HG23 THR 69 -6.693 -4.427 -5.097 312 H VAL 70 H VAL 70 -4.866 -5.922 -2.271 313 HA VAL 70 HA VAL 70 -3.775 -3.469 -3.209 314 HB VAL 70 HB VAL 70 -4.820 -3.629 -1.047 315 HG11 VAL 70 HG11 VAL 70 -2.398 -5.215 -0.110 316 HG12 VAL 70 HG12 VAL 70 -3.710 -4.558 0.877 317 HG13 VAL 70 HG13 VAL 70 -4.086 -5.825 -0.268 318 HG21 VAL 70 HG21 VAL 70 -3.086 -1.916 -1.572 319 HG22 VAL 70 HG22 VAL 70 -3.194 -2.280 0.173 320 HG23 VAL 70 HG23 VAL 70 -1.874 -2.969 -0.800 321 H LYS 71 H LYS 71 -2.197 -6.501 -2.214 322 HA LYS 71 HA LYS 71 0.504 -5.717 -2.279 323 HB2 LYS 71 HB2 LYS 71 -0.728 -8.308 -3.333 324 HB3 LYS 71 HB3 LYS 71 0.957 -8.058 -2.884 325 HG2 LYS 71 HG2 LYS 71 -0.772 -7.289 -0.652 326 HG3 LYS 71 HG3 LYS 71 -1.162 -8.940 -1.235 327 HD2 LYS 71 HD2 LYS 71 1.082 -9.590 -1.153 328 HD3 LYS 71 HD3 LYS 71 1.602 -7.937 -0.712 329 HE2 LYS 71 HE2 LYS 71 0.640 -8.047 1.448 330 HE3 LYS 71 HE3 LYS 71 -0.510 -9.223 0.995 331 HZ1 LYS 71 HZ1 LYS 71 2.336 -9.937 1.463 332 HZ2 LYS 71 HZ2 LYS 71 1.043 -10.344 2.384 333 HZ3 LYS 71 HZ3 LYS 71 1.223 -10.955 0.905 334 H THR 72 H THR 72 -1.499 -6.752 -4.967 335 HA THR 72 HA THR 72 0.573 -6.099 -6.948 336 HB THR 72 HB THR 72 -1.039 -7.962 -7.191 337 HG1 THR 72 HG1 THR 72 -1.065 -7.708 -9.358 338 HG21 THR 72 HG21 THR 72 -2.941 -5.811 -8.196 339 HG22 THR 72 HG22 THR 72 -3.187 -7.575 -8.226 340 HG23 THR 72 HG23 THR 72 -3.133 -6.715 -6.687 341 H LEU 73 H LEU 73 -2.343 -4.298 -5.848 342 HA LEU 73 HA LEU 73 -2.357 -2.280 -7.865 343 HB2 LEU 73 HB2 LEU 73 -4.194 -2.826 -6.409 344 HB3 LEU 73 HB3 LEU 73 -3.237 -2.502 -4.969 345 HG LEU 73 HG LEU 73 -4.206 -0.357 -6.884 346 HD11 LEU 73 HD11 LEU 73 -5.222 -1.369 -4.182 347 HD12 LEU 73 HD12 LEU 73 -5.842 0.070 -5.020 348 HD13 LEU 73 HD13 LEU 73 -6.049 -1.531 -5.739 349 HD21 LEU 73 HD21 LEU 73 -2.341 0.531 -5.641 350 HD22 LEU 73 HD22 LEU 73 -3.777 1.086 -4.816 351 HD23 LEU 73 HD23 LEU 73 -2.858 -0.284 -4.145 352 H LEU 74 H LEU 74 -0.754 -2.500 -4.676 353 HA LEU 74 HA LEU 74 0.483 0.023 -4.559 354 HB2 LEU 74 HB2 LEU 74 1.150 -2.782 -3.604 355 HB3 LEU 74 HB3 LEU 74 2.331 -1.509 -3.368 356 HG LEU 74 HG LEU 74 -0.566 -1.226 -2.464 357 HD11 LEU 74 HD11 LEU 74 1.945 -1.994 -0.972 358 HD12 LEU 74 HD12 LEU 74 0.280 -1.802 -0.284 359 HD13 LEU 74 HD13 LEU 74 0.631 -3.146 -1.390 360 HD21 LEU 74 HD21 LEU 74 0.531 0.900 -2.689 361 HD22 LEU 74 HD22 LEU 74 0.662 0.505 -0.945 362 HD23 LEU 74 HD23 LEU 74 2.046 0.272 -2.052 363 H GLY 75 H GLY 75 1.828 -2.966 -5.740 364 HA2 GLY 75 HA2 GLY 75 4.229 -2.121 -6.905 365 HA3 GLY 75 HA3 GLY 75 3.241 -3.465 -7.520 366 H ARG 76 H ARG 76 0.981 -1.458 -8.103 367 HA ARG 76 HA ARG 76 1.885 -0.635 -10.812 368 HB2 ARG 76 HB2 ARG 76 -0.819 -0.187 -9.475 369 HB3 ARG 76 HB3 ARG 76 -0.427 0.157 -11.127 370 HG2 ARG 76 HG2 ARG 76 -0.011 -2.710 -10.286 371 HG3 ARG 76 HG3 ARG 76 -1.653 -2.113 -10.225 372 HD2 ARG 76 HD2 ARG 76 -0.715 -1.191 -12.723 373 HD3 ARG 76 HD3 ARG 76 0.050 -2.761 -12.561 374 HE ARG 76 HE ARG 76 -2.744 -2.128 -13.024 375 HH11 ARG 76 HH11 ARG 76 -0.685 -4.629 -11.731 376 HH12 ARG 76 HH12 ARG 76 -1.719 -5.932 -12.214 377 HH21 ARG 76 HH21 ARG 76 -4.162 -3.816 -13.515 378 HH22 ARG 76 HH22 ARG 76 -3.700 -5.449 -13.119 379 H LEU 77 H LEU 77 0.786 0.881 -7.680 380 HA LEU 77 HA LEU 77 1.073 3.592 -8.618 381 HB2 LEU 77 HB2 LEU 77 1.770 2.714 -5.814 382 HB3 LEU 77 HB3 LEU 77 1.032 4.218 -6.352 383 HG LEU 77 HG LEU 77 -0.235 1.498 -6.103 384 HD11 LEU 77 HD11 LEU 77 -0.692 4.102 -4.684 385 HD12 LEU 77 HD12 LEU 77 -1.497 2.538 -4.352 386 HD13 LEU 77 HD13 LEU 77 0.263 2.706 -4.108 387 HD21 LEU 77 HD21 LEU 77 -1.232 2.405 -8.029 388 HD22 LEU 77 HD22 LEU 77 -2.370 2.759 -6.700 389 HD23 LEU 77 HD23 LEU 77 -1.300 4.042 -7.311 390 H VAL 78 H VAL 78 3.190 1.466 -6.879 391 HA VAL 78 HA VAL 78 5.429 3.215 -6.778 392 HB VAL 78 HB VAL 78 6.507 1.862 -5.455 393 HG11 VAL 78 HG11 VAL 78 4.425 -0.292 -5.311 394 HG12 VAL 78 HG12 VAL 78 5.356 0.441 -4.037 395 HG13 VAL 78 HG13 VAL 78 4.005 1.329 -4.744 396 HG21 VAL 78 HG21 VAL 78 7.466 0.420 -7.114 397 HG22 VAL 78 HG22 VAL 78 6.950 -0.545 -5.737 398 HG23 VAL 78 HG23 VAL 78 5.958 -0.537 -7.214 399 H LYS 79 H LYS 79 4.851 0.595 -9.182 400 HA LYS 79 HA LYS 79 7.257 1.401 -10.634 401 HB2 LYS 79 HB2 LYS 79 4.970 -0.493 -11.396 402 HB3 LYS 79 HB3 LYS 79 6.348 -0.165 -12.428 403 HG2 LYS 79 HG2 LYS 79 6.406 -1.535 -9.731 404 HG3 LYS 79 HG3 LYS 79 6.836 -2.187 -11.304 405 HD2 LYS 79 HD2 LYS 79 8.325 -0.088 -9.675 406 HD3 LYS 79 HD3 LYS 79 8.860 -1.744 -10.004 407 HE2 LYS 79 HE2 LYS 79 8.930 -1.235 -12.452 408 HE3 LYS 79 HE3 LYS 79 8.388 0.405 -12.108 409 HZ1 LYS 79 HZ1 LYS 79 11.009 -0.753 -11.423 410 HZ2 LYS 79 HZ2 LYS 79 10.690 0.529 -12.347 411 HZ3 LYS 79 HZ3 LYS 79 10.515 0.591 -10.689 412 H LYS 80 H LYS 80 4.372 2.896 -10.415 413 HA LYS 80 HA LYS 80 4.869 4.298 -13.015 414 HB2 LYS 80 HB2 LYS 80 2.359 4.233 -11.323 415 HB3 LYS 80 HB3 LYS 80 2.732 5.620 -12.357 416 HG2 LYS 80 HG2 LYS 80 3.195 3.905 -14.248 417 HG3 LYS 80 HG3 LYS 80 2.293 2.764 -13.268 418 HD2 LYS 80 HD2 LYS 80 0.280 4.057 -13.484 419 HD3 LYS 80 HD3 LYS 80 1.186 5.498 -13.963 420 HE2 LYS 80 HE2 LYS 80 1.956 4.268 -16.028 421 HE3 LYS 80 HE3 LYS 80 0.807 2.979 -15.635 422 HZ1 LYS 80 HZ1 LYS 80 0.059 5.848 -16.016 423 HZ2 LYS 80 HZ2 LYS 80 -0.051 4.710 -17.197 424 HZ3 LYS 80 HZ3 LYS 80 -0.980 4.593 -15.839 425 H GLU 81 H GLU 81 3.610 6.085 -10.248 426 HA GLU 81 HA GLU 81 6.145 7.514 -10.017 427 HB2 GLU 81 HB2 GLU 81 4.582 8.062 -12.246 428 HB3 GLU 81 HB3 GLU 81 3.953 9.311 -11.035 429 HG2 GLU 81 HG2 GLU 81 6.304 10.113 -10.798 430 HG3 GLU 81 HG3 GLU 81 6.906 8.855 -11.837 431 H MET 82 H MET 82 3.786 6.365 -8.251 432 HA MET 82 HA MET 82 3.045 9.007 -6.883 433 HB2 MET 82 HB2 MET 82 2.001 6.210 -6.120 434 HB3 MET 82 HB3 MET 82 1.372 7.800 -5.760 435 HG2 MET 82 HG2 MET 82 1.294 8.020 -8.409 436 HG3 MET 82 HG3 MET 82 1.323 6.299 -8.293 437 HE1 MET 82 HE1 MET 82 -0.651 9.580 -7.968 438 HE2 MET 82 HE2 MET 82 -2.047 9.174 -6.953 439 HE3 MET 82 HE3 MET 82 -0.432 9.250 -6.229 440 H LEU 83 H LEU 83 4.661 5.918 -5.986 441 HA LEU 83 HA LEU 83 6.069 7.204 -3.737 442 HB2 LEU 83 HB2 LEU 83 5.051 6.284 -1.935 443 HB3 LEU 83 HB3 LEU 83 3.648 6.592 -2.911 444 HG LEU 83 HG LEU 83 4.979 3.879 -2.411 445 HD11 LEU 83 HD11 LEU 83 2.285 4.993 -1.581 446 HD12 LEU 83 HD12 LEU 83 2.904 3.362 -1.248 447 HD13 LEU 83 HD13 LEU 83 3.695 4.770 -0.529 448 HD21 LEU 83 HD21 LEU 83 4.118 3.879 -4.654 449 HD22 LEU 83 HD22 LEU 83 3.009 2.960 -3.614 450 HD23 LEU 83 HD23 LEU 83 2.581 4.612 -4.122 451 H SER 84 H SER 84 7.053 5.188 -2.353 452 HA SER 84 HA SER 84 8.210 3.155 -4.211 453 HB2 SER 84 HB2 SER 84 9.831 5.082 -2.462 454 HB3 SER 84 HB3 SER 84 10.420 3.524 -3.025 455 HG SER 84 HG SER 84 10.992 5.268 -4.370 456 H THR 85 H THR 85 9.567 1.589 -2.921 457 HA THR 85 HA THR 85 8.776 1.128 -0.143 458 HB THR 85 HB THR 85 6.914 0.219 -1.336 459 HG1 THR 85 HG1 THR 85 7.052 -1.923 -0.749 460 HG21 THR 85 HG21 THR 85 8.791 -1.579 -2.896 461 HG22 THR 85 HG22 THR 85 7.016 -1.396 -3.081 462 HG23 THR 85 HG23 THR 85 8.095 -0.069 -3.551 463 H GLU 86 H GLU 86 10.151 -0.208 0.946 464 HA GLU 86 HA GLU 86 12.373 -1.540 -0.530 465 HB2 GLU 86 HB2 GLU 86 12.820 0.335 1.819 466 HB3 GLU 86 HB3 GLU 86 14.059 -0.585 0.934 467 HG2 GLU 86 HG2 GLU 86 13.283 0.657 -1.175 468 HG3 GLU 86 HG3 GLU 86 12.340 1.719 -0.120 469 H LYS 87 H LYS 87 13.756 -2.919 1.052 470 HA LYS 87 HA LYS 87 11.796 -4.559 2.609 471 HB2 LYS 87 HB2 LYS 87 14.040 -5.158 0.771 472 HB3 LYS 87 HB3 LYS 87 14.196 -6.007 2.283 473 HG2 LYS 87 HG2 LYS 87 11.439 -6.321 1.512 474 HG3 LYS 87 HG3 LYS 87 12.402 -6.514 0.051 475 HD2 LYS 87 HD2 LYS 87 12.066 -8.669 1.096 476 HD3 LYS 87 HD3 LYS 87 13.783 -8.240 1.210 477 HE2 LYS 87 HE2 LYS 87 13.428 -7.458 3.555 478 HE3 LYS 87 HE3 LYS 87 11.714 -7.846 3.427 479 HZ1 LYS 87 HZ1 LYS 87 13.953 -9.801 3.287 480 HZ2 LYS 87 HZ2 LYS 87 12.966 -9.573 4.536 481 HZ3 LYS 87 HZ3 LYS 87 12.351 -10.188 3.120 482 H GLU 88 H GLU 88 11.920 -4.877 4.696 483 HA GLU 88 HA GLU 88 14.551 -4.695 6.072 484 HB2 GLU 88 HB2 GLU 88 12.120 -3.007 6.625 485 HB3 GLU 88 HB3 GLU 88 12.947 -3.674 8.018 486 HG2 GLU 88 HG2 GLU 88 14.323 -2.019 5.868 487 HG3 GLU 88 HG3 GLU 88 13.739 -1.411 7.411 488 H GLY 89 H GLY 89 14.902 -6.282 7.508 489 HA2 GLY 89 HA2 GLY 89 14.637 -8.362 8.492 490 HA3 GLY 89 HA3 GLY 89 13.138 -7.670 9.131 491 H ARG 90 H ARG 90 11.534 -9.161 8.841 492 HA ARG 90 HA ARG 90 11.512 -10.960 6.508 493 HB2 ARG 90 HB2 ARG 90 10.957 -11.702 8.827 494 HB3 ARG 90 HB3 ARG 90 9.458 -10.773 8.740 495 HG2 ARG 90 HG2 ARG 90 8.611 -12.158 6.961 496 HG3 ARG 90 HG3 ARG 90 10.178 -12.925 6.689 497 HD2 ARG 90 HD2 ARG 90 8.630 -13.212 9.295 498 HD3 ARG 90 HD3 ARG 90 8.374 -14.271 7.902 499 HE ARG 90 HE ARG 90 11.162 -14.239 8.506 500 HH11 ARG 90 HH11 ARG 90 8.217 -15.465 9.986 501 HH12 ARG 90 HH12 ARG 90 9.057 -16.814 10.702 502 HH21 ARG 90 HH21 ARG 90 12.136 -16.013 9.483 503 HH22 ARG 90 HH22 ARG 90 11.200 -17.009 10.555 504 H LYS 91 H LYS 91 10.291 -7.780 6.942 505 HA LYS 91 HA LYS 91 8.160 -8.207 4.880 506 HB2 LYS 91 HB2 LYS 91 8.278 -6.664 7.466 507 HB3 LYS 91 HB3 LYS 91 7.225 -6.066 6.202 508 HG2 LYS 91 HG2 LYS 91 5.958 -8.085 6.084 509 HG3 LYS 91 HG3 LYS 91 7.093 -8.944 7.170 510 HD2 LYS 91 HD2 LYS 91 6.547 -7.336 8.973 511 HD3 LYS 91 HD3 LYS 91 5.362 -6.546 7.900 512 HE2 LYS 91 HE2 LYS 91 4.234 -8.829 7.673 513 HE3 LYS 91 HE3 LYS 91 5.283 -9.404 8.982 514 HZ1 LYS 91 HZ1 LYS 91 3.261 -7.214 9.140 515 HZ2 LYS 91 HZ2 LYS 91 3.159 -8.680 9.856 516 HZ3 LYS 91 HZ3 LYS 91 4.278 -7.639 10.388 517 H PHE 92 H PHE 92 7.353 -6.039 4.101 518 HA PHE 92 HA PHE 92 9.541 -4.434 2.827 519 HB2 PHE 92 HB2 PHE 92 6.683 -5.052 2.069 520 HB3 PHE 92 HB3 PHE 92 7.477 -3.582 1.511 521 HD1 PHE 92 HD2 PHE 92 9.451 -3.622 0.138 522 HD2 PHE 92 HD1 PHE 92 7.361 -7.216 1.225 523 HE1 PHE 92 HE2 PHE 92 10.637 -4.820 -1.650 524 HE2 PHE 92 HE1 PHE 92 8.585 -8.467 -0.571 525 HZ PHE 92 HZ PHE 92 10.205 -7.266 -2.028 526 H VAL 93 H VAL 93 9.263 -2.181 2.867 527 HA VAL 93 HA VAL 93 7.318 -0.935 4.743 528 HB VAL 93 HB VAL 93 10.292 -0.397 4.470 529 HG11 VAL 93 HG11 VAL 93 8.183 1.449 5.684 530 HG12 VAL 93 HG12 VAL 93 9.938 1.627 5.850 531 HG13 VAL 93 HG13 VAL 93 9.187 1.794 4.253 532 HG21 VAL 93 HG21 VAL 93 9.750 -2.045 6.135 533 HG22 VAL 93 HG22 VAL 93 10.088 -0.531 6.998 534 HG23 VAL 93 HG23 VAL 93 8.399 -1.065 6.762 535 H TYR 94 H TYR 94 6.233 0.655 3.880 536 HA TYR 94 HA TYR 94 6.826 1.487 1.080 537 HB2 TYR 94 HB2 TYR 94 4.276 1.012 2.670 538 HB3 TYR 94 HB3 TYR 94 4.302 1.861 1.127 539 HD1 TYR 94 HD1 TYR 94 5.099 -1.531 2.722 540 HD2 TYR 94 HD2 TYR 94 4.468 0.745 -0.933 541 HE1 TYR 94 HE1 TYR 94 5.059 -3.584 1.428 542 HE2 TYR 94 HE2 TYR 94 4.434 -1.387 -2.220 543 HH TYR 94 HH TYR 94 4.842 -4.571 -0.718 544 H ARG 95 H ARG 95 7.437 3.450 0.853 545 HA ARG 95 HA ARG 95 6.558 5.657 2.696 546 HB2 ARG 95 HB2 ARG 95 9.308 5.023 1.534 547 HB3 ARG 95 HB3 ARG 95 8.906 6.619 2.176 548 HG2 ARG 95 HG2 ARG 95 8.298 5.608 4.345 549 HG3 ARG 95 HG3 ARG 95 8.836 4.028 3.765 550 HD2 ARG 95 HD2 ARG 95 10.594 6.516 3.800 551 HD3 ARG 95 HD3 ARG 95 10.463 5.416 5.146 552 HE ARG 95 HE ARG 95 11.370 4.434 2.469 553 HH11 ARG 95 HH11 ARG 95 12.110 4.681 5.944 554 HH12 ARG 95 HH12 ARG 95 13.798 4.328 5.615 555 HH21 ARG 95 HH21 ARG 95 13.579 3.622 2.325 556 HH22 ARG 95 HH22 ARG 95 14.500 3.779 3.782 557 HA PRO 96 HA PRO 96 5.892 8.244 -0.970 558 HB2 PRO 96 HB2 PRO 96 6.077 10.741 0.118 559 HB3 PRO 96 HB3 PRO 96 4.704 9.644 0.473 560 HG2 PRO 96 HG2 PRO 96 7.202 10.087 2.146 561 HG3 PRO 96 HG3 PRO 96 5.493 10.127 2.681 562 HD2 PRO 96 HD2 PRO 96 7.044 7.910 2.953 563 HD3 PRO 96 HD3 PRO 96 5.300 7.794 2.553 564 H LEU 97 H LEU 97 7.111 9.884 -2.273 565 HA LEU 97 HA LEU 97 9.909 9.222 -2.288 566 HB2 LEU 97 HB2 LEU 97 7.858 9.931 -4.169 567 HB3 LEU 97 HB3 LEU 97 9.104 11.136 -4.330 568 HG LEU 97 HG LEU 97 9.415 9.353 -5.904 569 HD11 LEU 97 HD11 LEU 97 11.574 9.211 -3.766 570 HD12 LEU 97 HD12 LEU 97 11.751 8.850 -5.501 571 HD13 LEU 97 HD13 LEU 97 11.399 10.505 -4.959 572 HD21 LEU 97 HD21 LEU 97 8.352 7.576 -4.469 573 HD22 LEU 97 HD22 LEU 97 9.805 7.093 -5.336 574 HD23 LEU 97 HD23 LEU 97 9.889 7.393 -3.595 575 H MET 98 H MET 98 8.307 11.977 -1.032 576 HA MET 98 HA MET 98 9.026 13.958 -0.158 577 HB2 MET 98 HB2 MET 98 11.278 12.115 0.674 578 HB3 MET 98 HB3 MET 98 10.867 13.656 1.443 579 HG2 MET 98 HG2 MET 98 8.584 12.795 1.925 580 HG3 MET 98 HG3 MET 98 9.045 11.225 1.262 581 HE1 MET 98 HE1 MET 98 11.921 10.586 2.344 582 HE2 MET 98 HE2 MET 98 11.475 9.745 3.845 583 HE3 MET 98 HE3 MET 98 10.516 9.494 2.366 584 H GLU 99 H GLU 99 9.284 14.914 -2.323 585 HA GLU 99 HA GLU 99 11.999 16.121 -2.688 586 HB2 GLU 99 HB2 GLU 99 9.974 15.094 -4.676 587 HB3 GLU 99 HB3 GLU 99 10.885 16.523 -5.104 588 HG2 GLU 99 HG2 GLU 99 12.505 14.208 -4.074 589 HG3 GLU 99 HG3 GLU 99 11.690 13.983 -5.620 Start of MODEL 10 1 H PHE 31 H1 PHE 31 -23.054 12.241 -12.094 2 HA PHE 31 HA PHE 31 -24.257 10.015 -10.611 3 HB2 PHE 31 HB2 PHE 31 -24.769 9.952 -13.085 4 HB3 PHE 31 HB3 PHE 31 -23.050 9.960 -13.413 5 HD1 PHE 31 HD1 PHE 31 -21.626 7.962 -12.604 6 HD2 PHE 31 HD2 PHE 31 -25.949 7.940 -12.593 7 HE1 PHE 31 HE1 PHE 31 -21.621 5.492 -12.517 8 HE2 PHE 31 HE2 PHE 31 -25.930 5.463 -12.544 9 HZ PHE 31 HZ PHE 31 -23.766 4.234 -12.521 10 H ASN 32 H ASN 32 -22.716 9.387 -9.111 11 HA ASN 32 HA ASN 32 -19.962 10.370 -9.412 12 HB2 ASN 32 HB2 ASN 32 -21.675 9.854 -7.238 13 HB3 ASN 32 HB3 ASN 32 -20.505 8.545 -7.148 14 HD21 ASN 32 HD22 ASN 32 -18.464 9.103 -6.231 15 HD22 ASN 32 HD21 ASN 32 -18.046 10.783 -5.886 16 H VAL 33 H VAL 33 -18.104 8.891 -8.911 17 HA VAL 33 HA VAL 33 -18.362 6.066 -9.712 18 HB VAL 33 HB VAL 33 -16.475 6.214 -11.296 19 HG11 VAL 33 HG11 VAL 33 -18.741 8.000 -12.239 20 HG12 VAL 33 HG12 VAL 33 -17.629 7.040 -13.232 21 HG13 VAL 33 HG13 VAL 33 -18.796 6.222 -12.173 22 HG21 VAL 33 HG21 VAL 33 -15.450 8.350 -10.519 23 HG22 VAL 33 HG22 VAL 33 -15.744 8.328 -12.260 24 HG23 VAL 33 HG23 VAL 33 -16.831 9.242 -11.199 25 H SER 34 H SER 34 -16.056 4.997 -9.426 26 HA SER 34 HA SER 34 -14.251 6.460 -7.642 27 HB2 SER 34 HB2 SER 34 -14.143 4.672 -5.969 28 HB3 SER 34 HB3 SER 34 -15.750 5.389 -6.046 29 HG SER 34 HG SER 34 -16.049 3.199 -6.006 30 H ASN 35 H ASN 35 -12.164 5.265 -7.335 31 HA ASN 35 HA ASN 35 -11.402 3.315 -9.382 32 HB2 ASN 35 HB2 ASN 35 -11.331 5.555 -10.532 33 HB3 ASN 35 HB3 ASN 35 -10.240 6.147 -9.292 34 HD21 ASN 35 HD22 ASN 35 -10.430 4.436 -12.329 35 HD22 ASN 35 HD21 ASN 35 -8.700 4.159 -12.430 36 H ALA 36 H ALA 36 -8.865 2.914 -9.003 37 HA ALA 36 HA ALA 36 -8.417 2.276 -6.223 38 HB1 ALA 36 HB1 ALA 36 -6.586 2.305 -8.662 39 HB2 ALA 36 HB2 ALA 36 -6.130 1.661 -7.074 40 HB3 ALA 36 HB3 ALA 36 -7.458 0.906 -7.990 41 H GLU 37 H GLU 37 -7.506 5.123 -8.199 42 HA GLU 37 HA GLU 37 -5.744 6.194 -6.114 43 HB2 GLU 37 HB2 GLU 37 -5.575 8.144 -7.351 44 HB3 GLU 37 HB3 GLU 37 -5.652 6.867 -8.547 45 HG2 GLU 37 HG2 GLU 37 -8.148 7.386 -8.751 46 HG3 GLU 37 HG3 GLU 37 -7.847 8.838 -7.779 47 H LEU 38 H LEU 38 -6.464 8.484 -5.170 48 HA LEU 38 HA LEU 38 -7.601 9.473 -3.514 49 HB2 LEU 38 HB2 LEU 38 -9.353 9.400 -5.449 50 HB3 LEU 38 HB3 LEU 38 -10.168 8.204 -4.445 51 HG LEU 38 HG LEU 38 -10.291 9.915 -2.596 52 HD11 LEU 38 HD11 LEU 38 -9.309 11.782 -4.823 53 HD12 LEU 38 HD12 LEU 38 -9.971 12.300 -3.265 54 HD13 LEU 38 HD13 LEU 38 -8.445 11.430 -3.311 55 HD21 LEU 38 HD21 LEU 38 -12.142 9.444 -4.206 56 HD22 LEU 38 HD22 LEU 38 -12.135 11.138 -3.717 57 HD23 LEU 38 HD23 LEU 38 -11.500 10.678 -5.302 58 H ILE 39 H ILE 39 -8.624 6.054 -3.773 59 HA ILE 39 HA ILE 39 -9.276 5.629 -1.006 60 HB ILE 39 HB ILE 39 -8.417 3.686 -3.172 61 HG12 ILE 39 HG12 ILE 39 -11.112 4.669 -2.117 62 HG13 ILE 39 HG13 ILE 39 -10.441 4.924 -3.727 63 HG21 ILE 39 HG21 ILE 39 -9.749 3.084 -0.485 64 HG22 ILE 39 HG22 ILE 39 -9.338 1.912 -1.752 65 HG23 ILE 39 HG23 ILE 39 -8.057 2.715 -0.872 66 HD11 ILE 39 HD11 ILE 39 -11.437 2.320 -2.558 67 HD12 ILE 39 HD12 ILE 39 -12.112 3.251 -3.906 68 HD13 ILE 39 HD13 ILE 39 -10.540 2.439 -4.099 69 H VAL 40 H VAL 40 -6.379 4.228 -2.631 70 HA VAL 40 HA VAL 40 -4.843 3.958 -0.230 71 HB VAL 40 HB VAL 40 -2.932 3.503 -1.644 72 HG11 VAL 40 HG11 VAL 40 -5.441 2.249 -2.837 73 HG12 VAL 40 HG12 VAL 40 -3.797 1.582 -2.836 74 HG13 VAL 40 HG13 VAL 40 -4.674 1.758 -1.308 75 HG21 VAL 40 HG21 VAL 40 -3.133 5.159 -3.427 76 HG22 VAL 40 HG22 VAL 40 -3.134 3.541 -4.135 77 HG23 VAL 40 HG23 VAL 40 -4.655 4.430 -3.987 78 H MET 41 H MET 41 -5.371 6.677 -2.205 79 HA MET 41 HA MET 41 -2.986 8.187 -1.869 80 HB2 MET 41 HB2 MET 41 -4.944 8.270 -3.599 81 HB3 MET 41 HB3 MET 41 -5.719 9.347 -2.428 82 HG2 MET 41 HG2 MET 41 -3.822 10.917 -2.647 83 HG3 MET 41 HG3 MET 41 -3.006 9.776 -3.728 84 HE1 MET 41 HE1 MET 41 -2.664 11.443 -5.687 85 HE2 MET 41 HE2 MET 41 -3.915 12.555 -6.274 86 HE3 MET 41 HE3 MET 41 -3.297 12.716 -4.614 87 H ARG 42 H ARG 42 -5.171 7.501 0.575 88 HA ARG 42 HA ARG 42 -4.194 9.910 2.092 89 HB2 ARG 42 HB2 ARG 42 -6.268 9.938 3.380 90 HB3 ARG 42 HB3 ARG 42 -6.495 10.299 1.665 91 HG2 ARG 42 HG2 ARG 42 -7.375 8.004 1.282 92 HG3 ARG 42 HG3 ARG 42 -7.162 7.633 3.007 93 HD2 ARG 42 HD2 ARG 42 -8.679 9.496 3.580 94 HD3 ARG 42 HD3 ARG 42 -8.891 9.877 1.872 95 HE ARG 42 HE ARG 42 -10.135 7.721 3.423 96 HH11 ARG 42 HH11 ARG 42 -9.439 8.452 -0.026 97 HH12 ARG 42 HH12 ARG 42 -11.113 8.071 -0.404 98 HH21 ARG 42 HH21 ARG 42 -12.077 7.256 2.738 99 HH22 ARG 42 HH22 ARG 42 -12.485 7.352 1.028 100 H VAL 43 H VAL 43 -5.119 6.468 2.435 101 HA VAL 43 HA VAL 43 -4.600 6.113 5.136 102 HB VAL 43 HB VAL 43 -5.464 4.212 4.331 103 HG11 VAL 43 HG11 VAL 43 -3.715 4.287 1.856 104 HG12 VAL 43 HG12 VAL 43 -4.909 3.034 2.244 105 HG13 VAL 43 HG13 VAL 43 -5.457 4.680 1.961 106 HG21 VAL 43 HG21 VAL 43 -3.285 3.508 5.456 107 HG22 VAL 43 HG22 VAL 43 -3.962 2.319 4.303 108 HG23 VAL 43 HG23 VAL 43 -2.584 3.335 3.860 109 H ILE 44 H ILE 44 -2.161 5.545 2.602 110 HA ILE 44 HA ILE 44 -0.035 5.146 4.497 111 HB ILE 44 HB ILE 44 -0.029 5.834 1.510 112 HG12 ILE 44 HG12 ILE 44 0.231 3.177 2.945 113 HG13 ILE 44 HG13 ILE 44 -1.280 3.754 2.272 114 HG21 ILE 44 HG21 ILE 44 2.209 4.810 3.316 115 HG22 ILE 44 HG22 ILE 44 2.298 4.861 1.540 116 HG23 ILE 44 HG23 ILE 44 2.157 6.360 2.465 117 HD11 ILE 44 HD11 ILE 44 1.192 3.094 0.645 118 HD12 ILE 44 HD12 ILE 44 -0.367 2.244 0.673 119 HD13 ILE 44 HD13 ILE 44 -0.279 3.890 0.014 120 H TRP 45 H TRP 45 -1.020 7.848 2.532 121 HA TRP 45 HA TRP 45 1.276 9.542 2.836 122 HB2 TRP 45 HB2 TRP 45 -0.227 10.005 1.036 123 HB3 TRP 45 HB3 TRP 45 -1.624 10.061 2.113 124 HD1 TRP 45 HD1 TRP 45 -2.430 12.348 2.750 125 HE1 TRP 45 HE1 TRP 45 -1.432 14.707 3.022 126 HE3 TRP 45 HE3 TRP 45 2.414 11.342 1.423 127 HZ2 TRP 45 HZ2 TRP 45 1.141 15.969 2.764 128 HZ3 TRP 45 HZ3 TRP 45 4.132 13.138 1.482 129 HH2 TRP 45 HH2 TRP 45 3.512 15.445 2.161 130 H SER 46 H SER 46 -1.452 8.969 4.861 131 HA SER 46 HA SER 46 -1.130 11.421 6.472 132 HB2 SER 46 HB2 SER 46 -3.325 10.286 6.009 133 HB3 SER 46 HB3 SER 46 -2.809 8.963 7.099 134 HG SER 46 HG SER 46 -2.536 10.684 8.699 135 H LEU 47 H LEU 47 -0.012 8.076 6.681 136 HA LEU 47 HA LEU 47 0.817 8.094 9.410 137 HB2 LEU 47 HB2 LEU 47 0.247 6.317 7.169 138 HB3 LEU 47 HB3 LEU 47 1.876 5.967 7.696 139 HG LEU 47 HG LEU 47 -0.363 6.283 9.734 140 HD11 LEU 47 HD11 LEU 47 0.266 3.725 8.221 141 HD12 LEU 47 HD12 LEU 47 -0.824 3.896 9.611 142 HD13 LEU 47 HD13 LEU 47 -1.226 4.701 8.083 143 HD21 LEU 47 HD21 LEU 47 2.050 6.282 10.295 144 HD22 LEU 47 HD22 LEU 47 1.185 4.895 11.022 145 HD23 LEU 47 HD23 LEU 47 2.210 4.680 9.567 146 H GLY 48 H GLY 48 2.608 7.870 6.380 147 HA2 GLY 48 HA2 GLY 48 4.615 9.466 6.134 148 HA3 GLY 48 HA3 GLY 48 5.161 8.791 7.676 149 H GLU 49 H GLU 49 4.861 6.203 7.563 150 HA GLU 49 HA GLU 49 5.558 5.049 4.947 151 HB2 GLU 49 HB2 GLU 49 7.331 3.756 5.792 152 HB3 GLU 49 HB3 GLU 49 7.722 5.421 6.143 153 HG2 GLU 49 HG2 GLU 49 6.440 3.888 8.386 154 HG3 GLU 49 HG3 GLU 49 7.974 3.279 7.830 155 H ALA 50 H ALA 50 4.929 2.781 4.745 156 HA ALA 50 HA ALA 50 3.544 1.624 7.113 157 HB1 ALA 50 HB1 ALA 50 2.214 2.075 4.416 158 HB2 ALA 50 HB2 ALA 50 1.503 1.196 5.798 159 HB3 ALA 50 HB3 ALA 50 1.841 2.928 5.931 160 H ARG 51 H ARG 51 3.407 -0.583 7.196 161 HA ARG 51 HA ARG 51 5.002 -2.134 5.243 162 HB2 ARG 51 HB2 ARG 51 3.897 -2.829 7.995 163 HB3 ARG 51 HB3 ARG 51 4.617 -4.030 6.897 164 HG2 ARG 51 HG2 ARG 51 6.648 -2.605 6.708 165 HG3 ARG 51 HG3 ARG 51 6.006 -1.519 7.954 166 HD2 ARG 51 HD2 ARG 51 6.786 -4.433 8.221 167 HD3 ARG 51 HD3 ARG 51 7.694 -3.057 8.822 168 HE ARG 51 HE ARG 51 5.834 -2.523 10.364 169 HH11 ARG 51 HH11 ARG 51 6.015 -5.894 9.402 170 HH12 ARG 51 HH12 ARG 51 5.226 -6.398 10.890 171 HH21 ARG 51 HH21 ARG 51 4.812 -3.178 12.030 172 HH22 ARG 51 HH22 ARG 51 4.516 -4.853 12.401 173 H VAL 52 H VAL 52 4.084 -4.135 4.324 174 HA VAL 52 HA VAL 52 1.879 -3.452 2.860 175 HB VAL 52 HB VAL 52 2.590 -5.024 1.560 176 HG11 VAL 52 HG11 VAL 52 4.092 -6.167 3.924 177 HG12 VAL 52 HG12 VAL 52 4.409 -6.561 2.209 178 HG13 VAL 52 HG13 VAL 52 4.679 -4.903 2.807 179 HG21 VAL 52 HG21 VAL 52 0.788 -6.394 2.154 180 HG22 VAL 52 HG22 VAL 52 2.208 -7.427 1.959 181 HG23 VAL 52 HG23 VAL 52 1.595 -7.048 3.619 182 H ASP 53 H ASP 53 1.867 -5.550 5.673 183 HA ASP 53 HA ASP 53 -0.941 -6.168 5.375 184 HB2 ASP 53 HB2 ASP 53 0.535 -6.596 7.900 185 HB3 ASP 53 HB3 ASP 53 -0.570 -7.644 6.966 186 H GLU 54 H GLU 54 0.618 -3.361 6.532 187 HA GLU 54 HA GLU 54 -1.575 -2.488 8.363 188 HB2 GLU 54 HB2 GLU 54 1.128 -1.782 8.086 189 HB3 GLU 54 HB3 GLU 54 0.307 -0.452 7.309 190 HG2 GLU 54 HG2 GLU 54 -0.094 -1.540 10.147 191 HG3 GLU 54 HG3 GLU 54 0.815 -0.112 9.735 192 H ILE 55 H ILE 55 -0.254 -1.743 5.122 193 HA ILE 55 HA ILE 55 -2.239 0.273 4.473 194 HB ILE 55 HB ILE 55 -1.624 -0.166 2.086 195 HG12 ILE 55 HG12 ILE 55 0.036 -2.288 3.444 196 HG13 ILE 55 HG13 ILE 55 -1.234 -2.588 2.208 197 HG21 ILE 55 HG21 ILE 55 0.818 -0.107 3.889 198 HG22 ILE 55 HG22 ILE 55 0.625 0.637 2.267 199 HG23 ILE 55 HG23 ILE 55 -0.281 1.261 3.708 200 HD11 ILE 55 HD11 ILE 55 1.541 -1.534 1.965 201 HD12 ILE 55 HD12 ILE 55 0.776 -2.954 1.198 202 HD13 ILE 55 HD13 ILE 55 0.296 -1.269 0.685 203 H TYR 56 H TYR 56 -2.244 -3.282 3.988 204 HA TYR 56 HA TYR 56 -4.809 -3.490 2.808 205 HB2 TYR 56 HB2 TYR 56 -2.984 -5.162 2.808 206 HB3 TYR 56 HB3 TYR 56 -3.091 -5.310 4.544 207 HD1 TYR 56 HD1 TYR 56 -5.516 -5.327 1.689 208 HD2 TYR 56 HD2 TYR 56 -4.017 -7.257 5.194 209 HE1 TYR 56 HE1 TYR 56 -7.444 -6.934 1.572 210 HE2 TYR 56 HE2 TYR 56 -5.970 -8.901 5.125 211 HH TYR 56 HH TYR 56 -8.509 -8.609 2.602 212 H ALA 57 H ALA 57 -3.768 -3.341 6.197 213 HA ALA 57 HA ALA 57 -6.206 -4.250 7.410 214 HB1 ALA 57 HB1 ALA 57 -4.273 -2.185 8.493 215 HB2 ALA 57 HB2 ALA 57 -5.322 -3.258 9.427 216 HB3 ALA 57 HB3 ALA 57 -3.944 -3.947 8.509 217 H GLN 58 H GLN 58 -5.488 -1.306 5.827 218 HA GLN 58 HA GLN 58 -7.619 0.275 7.016 219 HB2 GLN 58 HB2 GLN 58 -5.187 0.602 5.377 220 HB3 GLN 58 HB3 GLN 58 -6.511 1.486 4.686 221 HG2 GLN 58 HG2 GLN 58 -5.191 2.810 6.195 222 HG3 GLN 58 HG3 GLN 58 -6.900 2.708 6.671 223 HE21 GLN 58 HE22 GLN 58 -4.010 0.512 7.328 224 HE22 GLN 58 HE21 GLN 58 -4.115 0.717 9.020 225 H ILE 59 H ILE 59 -7.399 -2.004 4.467 226 HA ILE 59 HA ILE 59 -9.502 -0.865 2.768 227 HB ILE 59 HB ILE 59 -7.651 -3.228 2.453 228 HG12 ILE 59 HG12 ILE 59 -7.611 -0.354 1.398 229 HG13 ILE 59 HG13 ILE 59 -6.502 -1.050 2.587 230 HG21 ILE 59 HG21 ILE 59 -9.358 -1.887 0.336 231 HG22 ILE 59 HG22 ILE 59 -8.319 -3.324 0.162 232 HG23 ILE 59 HG23 ILE 59 -9.782 -3.431 1.125 233 HD11 ILE 59 HD11 ILE 59 -6.668 -1.777 -0.329 234 HD12 ILE 59 HD12 ILE 59 -5.364 -0.934 0.536 235 HD13 ILE 59 HD13 ILE 59 -5.703 -2.647 0.904 236 HA PRO 60 HA PRO 60 -12.128 -3.695 5.202 237 HB2 PRO 60 HB2 PRO 60 -14.591 -2.578 4.822 238 HB3 PRO 60 HB3 PRO 60 -13.324 -1.825 5.835 239 HG2 PRO 60 HG2 PRO 60 -13.973 -1.224 2.930 240 HG3 PRO 60 HG3 PRO 60 -13.799 -0.062 4.285 241 HD2 PRO 60 HD2 PRO 60 -11.738 -0.589 2.583 242 HD3 PRO 60 HD3 PRO 60 -11.457 -0.318 4.331 243 H GLN 61 H GLN 61 -13.666 -5.338 4.957 244 HA GLN 61 HA GLN 61 -13.856 -6.710 2.474 245 HB2 GLN 61 HB2 GLN 61 -15.351 -6.967 5.099 246 HB3 GLN 61 HB3 GLN 61 -15.615 -8.080 3.767 247 HG2 GLN 61 HG2 GLN 61 -12.838 -7.648 4.942 248 HG3 GLN 61 HG3 GLN 61 -13.992 -8.805 5.600 249 HE21 GLN 61 HE22 GLN 61 -13.335 -10.868 4.958 250 HE22 GLN 61 HE21 GLN 61 -12.899 -11.219 3.279 251 H GLU 62 H GLU 62 -15.629 -3.957 3.274 252 HA GLU 62 HA GLU 62 -18.041 -4.486 1.718 253 HB2 GLU 62 HB2 GLU 62 -16.746 -1.864 2.586 254 HB3 GLU 62 HB3 GLU 62 -18.364 -2.050 1.883 255 HG2 GLU 62 HG2 GLU 62 -18.954 -3.578 3.807 256 HG3 GLU 62 HG3 GLU 62 -17.395 -3.202 4.542 257 H LEU 63 H LEU 63 -14.774 -3.811 0.919 258 HA LEU 63 HA LEU 63 -15.337 -3.139 -1.943 259 HB2 LEU 63 HB2 LEU 63 -12.709 -3.409 -0.430 260 HB3 LEU 63 HB3 LEU 63 -12.924 -2.744 -2.041 261 HG LEU 63 HG LEU 63 -13.945 -1.517 0.570 262 HD11 LEU 63 HD11 LEU 63 -11.692 -0.823 -1.339 263 HD12 LEU 63 HD12 LEU 63 -12.198 0.152 0.079 264 HD13 LEU 63 HD13 LEU 63 -11.578 -1.507 0.302 265 HD21 LEU 63 HD21 LEU 63 -15.465 -1.029 -1.237 266 HD22 LEU 63 HD22 LEU 63 -14.495 0.424 -0.902 267 HD23 LEU 63 HD23 LEU 63 -14.120 -0.604 -2.320 268 H GLU 64 H GLU 64 -14.446 -5.659 0.058 269 HA GLU 64 HA GLU 64 -14.208 -7.958 -0.206 270 HB2 GLU 64 HB2 GLU 64 -14.900 -7.582 -3.131 271 HB3 GLU 64 HB3 GLU 64 -15.008 -9.054 -2.163 272 HG2 GLU 64 HG2 GLU 64 -16.761 -7.918 -0.757 273 HG3 GLU 64 HG3 GLU 64 -16.771 -6.579 -1.911 274 H TRP 65 H TRP 65 -12.032 -5.898 -1.459 275 HA TRP 65 HA TRP 65 -10.505 -7.394 -3.278 276 HB2 TRP 65 HB2 TRP 65 -9.791 -5.160 -1.353 277 HB3 TRP 65 HB3 TRP 65 -8.625 -5.842 -2.466 278 HD1 TRP 65 HD1 TRP 65 -11.784 -5.668 -4.359 279 HE1 TRP 65 HE1 TRP 65 -11.757 -3.674 -5.955 280 HE3 TRP 65 HE3 TRP 65 -7.933 -3.038 -2.244 281 HZ2 TRP 65 HZ2 TRP 65 -10.304 -1.195 -6.214 282 HZ3 TRP 65 HZ3 TRP 65 -7.270 -0.831 -3.173 283 HH2 TRP 65 HH2 TRP 65 -8.452 0.104 -5.150 284 H SER 66 H SER 66 -9.359 -9.137 -3.113 285 HA SER 66 HA SER 66 -8.417 -10.463 -0.778 286 HB2 SER 66 HB2 SER 66 -8.576 -11.600 -2.918 287 HB3 SER 66 HB3 SER 66 -7.469 -10.459 -3.675 288 HG SER 66 HG SER 66 -6.747 -12.693 -2.712 289 H LEU 67 H LEU 67 -6.323 -10.493 0.230 290 HA LEU 67 HA LEU 67 -4.750 -8.268 0.417 291 HB2 LEU 67 HB2 LEU 67 -4.840 -10.808 1.493 292 HB3 LEU 67 HB3 LEU 67 -3.354 -10.878 0.570 293 HG LEU 67 HG LEU 67 -4.138 -9.299 2.990 294 HD11 LEU 67 HD11 LEU 67 -1.650 -10.734 2.103 295 HD12 LEU 67 HD12 LEU 67 -1.924 -9.998 3.720 296 HD13 LEU 67 HD13 LEU 67 -2.937 -11.343 3.171 297 HD21 LEU 67 HD21 LEU 67 -3.455 -7.444 1.689 298 HD22 LEU 67 HD22 LEU 67 -2.097 -7.819 2.741 299 HD23 LEU 67 HD23 LEU 67 -2.106 -8.287 1.005 300 H ALA 68 H ALA 68 -4.701 -10.769 -2.094 301 HA ALA 68 HA ALA 68 -2.131 -10.180 -3.217 302 HB1 ALA 68 HB1 ALA 68 -4.675 -11.273 -4.519 303 HB2 ALA 68 HB2 ALA 68 -3.038 -11.360 -5.201 304 HB3 ALA 68 HB3 ALA 68 -3.419 -12.235 -3.707 305 H THR 69 H THR 69 -5.342 -8.654 -3.663 306 HA THR 69 HA THR 69 -4.760 -7.143 -5.969 307 HB THR 69 HB THR 69 -6.763 -6.532 -3.776 308 HG1 THR 69 HG1 THR 69 -8.098 -7.359 -5.523 309 HG21 THR 69 HG21 THR 69 -6.287 -5.375 -6.551 310 HG22 THR 69 HG22 THR 69 -7.850 -5.228 -5.694 311 HG23 THR 69 HG23 THR 69 -6.390 -4.492 -5.022 312 H VAL 70 H VAL 70 -4.509 -6.070 -2.451 313 HA VAL 70 HA VAL 70 -3.730 -3.490 -3.341 314 HB VAL 70 HB VAL 70 -4.683 -3.914 -1.111 315 HG11 VAL 70 HG11 VAL 70 -1.969 -5.021 -0.289 316 HG12 VAL 70 HG12 VAL 70 -3.374 -4.692 0.734 317 HG13 VAL 70 HG13 VAL 70 -3.471 -5.980 -0.469 318 HG21 VAL 70 HG21 VAL 70 -3.340 -1.903 -1.663 319 HG22 VAL 70 HG22 VAL 70 -3.256 -2.332 0.071 320 HG23 VAL 70 HG23 VAL 70 -1.900 -2.722 -1.018 321 H LYS 71 H LYS 71 -1.796 -6.273 -2.433 322 HA LYS 71 HA LYS 71 0.805 -5.111 -2.602 323 HB2 LYS 71 HB2 LYS 71 -0.126 -7.952 -3.227 324 HB3 LYS 71 HB3 LYS 71 1.560 -7.455 -2.957 325 HG2 LYS 71 HG2 LYS 71 0.931 -6.656 -0.704 326 HG3 LYS 71 HG3 LYS 71 -0.710 -7.265 -0.926 327 HD2 LYS 71 HD2 LYS 71 0.357 -9.529 -1.500 328 HD3 LYS 71 HD3 LYS 71 1.865 -8.860 -0.855 329 HE2 LYS 71 HE2 LYS 71 0.215 -8.274 1.260 330 HE3 LYS 71 HE3 LYS 71 -0.726 -9.515 0.555 331 HZ1 LYS 71 HZ1 LYS 71 2.103 -10.003 1.270 332 HZ2 LYS 71 HZ2 LYS 71 0.847 -10.413 2.214 333 HZ3 LYS 71 HZ3 LYS 71 1.020 -11.131 0.758 334 H THR 72 H THR 72 -1.177 -6.563 -5.145 335 HA THR 72 HA THR 72 0.818 -5.911 -7.218 336 HB THR 72 HB THR 72 -0.747 -7.812 -7.389 337 HG1 THR 72 HG1 THR 72 -0.968 -7.524 -9.594 338 HG21 THR 72 HG21 THR 72 -2.746 -5.677 -8.242 339 HG22 THR 72 HG22 THR 72 -2.921 -7.437 -8.473 340 HG23 THR 72 HG23 THR 72 -2.850 -6.764 -6.849 341 H LEU 73 H LEU 73 -2.077 -4.136 -5.997 342 HA LEU 73 HA LEU 73 -2.141 -2.164 -8.073 343 HB2 LEU 73 HB2 LEU 73 -3.965 -2.861 -6.622 344 HB3 LEU 73 HB3 LEU 73 -3.098 -2.330 -5.191 345 HG LEU 73 HG LEU 73 -4.198 -0.483 -7.353 346 HD11 LEU 73 HD11 LEU 73 -5.185 -1.319 -4.583 347 HD12 LEU 73 HD12 LEU 73 -5.895 -0.005 -5.538 348 HD13 LEU 73 HD13 LEU 73 -5.968 -1.664 -6.136 349 HD21 LEU 73 HD21 LEU 73 -2.414 0.653 -6.190 350 HD22 LEU 73 HD22 LEU 73 -3.923 1.213 -5.484 351 HD23 LEU 73 HD23 LEU 73 -2.921 -0.009 -4.625 352 H LEU 74 H LEU 74 -0.623 -2.242 -4.833 353 HA LEU 74 HA LEU 74 0.754 0.230 -4.761 354 HB2 LEU 74 HB2 LEU 74 1.509 -2.605 -3.951 355 HB3 LEU 74 HB3 LEU 74 2.615 -1.261 -3.685 356 HG LEU 74 HG LEU 74 -0.178 -1.442 -2.567 357 HD11 LEU 74 HD11 LEU 74 2.022 -1.521 -0.655 358 HD12 LEU 74 HD12 LEU 74 0.793 -2.790 -1.022 359 HD13 LEU 74 HD13 LEU 74 2.329 -2.740 -1.889 360 HD21 LEU 74 HD21 LEU 74 0.465 0.835 -2.805 361 HD22 LEU 74 HD22 LEU 74 0.749 0.420 -1.075 362 HD23 LEU 74 HD23 LEU 74 2.110 0.517 -2.252 363 H GLY 75 H GLY 75 1.866 -2.821 -5.943 364 HA2 GLY 75 HA2 GLY 75 4.332 -2.209 -7.118 365 HA3 GLY 75 HA3 GLY 75 3.233 -3.461 -7.724 366 H ARG 76 H ARG 76 1.133 -1.420 -8.344 367 HA ARG 76 HA ARG 76 2.198 -0.620 -11.037 368 HB2 ARG 76 HB2 ARG 76 -0.539 -0.183 -9.848 369 HB3 ARG 76 HB3 ARG 76 -0.087 0.171 -11.505 370 HG2 ARG 76 HG2 ARG 76 0.373 -2.690 -10.763 371 HG3 ARG 76 HG3 ARG 76 -1.286 -2.158 -10.576 372 HD2 ARG 76 HD2 ARG 76 -1.296 -3.012 -12.694 373 HD3 ARG 76 HD3 ARG 76 -1.144 -1.287 -13.005 374 HE ARG 76 HE ARG 76 1.471 -2.062 -13.032 375 HH11 ARG 76 HH11 ARG 76 -1.244 -3.557 -14.736 376 HH12 ARG 76 HH12 ARG 76 -0.176 -4.244 -15.931 377 HH21 ARG 76 HH21 ARG 76 2.684 -2.899 -14.789 378 HH22 ARG 76 HH22 ARG 76 1.893 -4.086 -15.794 379 H LEU 77 H LEU 77 1.064 0.939 -7.914 380 HA LEU 77 HA LEU 77 1.378 3.641 -8.834 381 HB2 LEU 77 HB2 LEU 77 2.232 2.754 -6.071 382 HB3 LEU 77 HB3 LEU 77 1.475 4.260 -6.565 383 HG LEU 77 HG LEU 77 0.196 1.544 -6.283 384 HD11 LEU 77 HD11 LEU 77 -0.174 4.076 -4.714 385 HD12 LEU 77 HD12 LEU 77 -0.914 2.476 -4.404 386 HD13 LEU 77 HD13 LEU 77 0.850 2.684 -4.261 387 HD21 LEU 77 HD21 LEU 77 -0.936 2.493 -8.068 388 HD22 LEU 77 HD22 LEU 77 -1.964 2.843 -6.648 389 HD23 LEU 77 HD23 LEU 77 -0.930 4.112 -7.342 390 H VAL 78 H VAL 78 3.545 1.468 -7.216 391 HA VAL 78 HA VAL 78 5.792 3.289 -7.151 392 HB VAL 78 HB VAL 78 6.784 2.021 -5.725 393 HG11 VAL 78 HG11 VAL 78 4.796 -0.242 -5.928 394 HG12 VAL 78 HG12 VAL 78 5.806 0.197 -4.557 395 HG13 VAL 78 HG13 VAL 78 4.462 1.257 -5.029 396 HG21 VAL 78 HG21 VAL 78 7.994 0.770 -7.404 397 HG22 VAL 78 HG22 VAL 78 7.597 -0.243 -6.022 398 HG23 VAL 78 HG23 VAL 78 6.640 -0.394 -7.525 399 H LYS 79 H LYS 79 5.015 0.743 -9.549 400 HA LYS 79 HA LYS 79 7.283 1.428 -11.202 401 HB2 LYS 79 HB2 LYS 79 4.702 -0.118 -11.731 402 HB3 LYS 79 HB3 LYS 79 5.871 0.190 -12.997 403 HG2 LYS 79 HG2 LYS 79 6.283 -1.486 -10.516 404 HG3 LYS 79 HG3 LYS 79 6.364 -1.967 -12.210 405 HD2 LYS 79 HD2 LYS 79 8.314 -0.222 -10.654 406 HD3 LYS 79 HD3 LYS 79 8.594 -1.871 -11.244 407 HE2 LYS 79 HE2 LYS 79 8.426 -1.135 -13.560 408 HE3 LYS 79 HE3 LYS 79 7.992 0.507 -13.056 409 HZ1 LYS 79 HZ1 LYS 79 10.532 -0.593 -12.112 410 HZ2 LYS 79 HZ2 LYS 79 10.440 -0.100 -13.684 411 HZ3 LYS 79 HZ3 LYS 79 10.137 0.975 -12.459 412 H LYS 80 H LYS 80 4.687 3.220 -10.566 413 HA LYS 80 HA LYS 80 5.186 4.877 -13.026 414 HB2 LYS 80 HB2 LYS 80 2.778 4.806 -11.195 415 HB3 LYS 80 HB3 LYS 80 3.207 6.269 -12.098 416 HG2 LYS 80 HG2 LYS 80 3.351 4.820 -14.189 417 HG3 LYS 80 HG3 LYS 80 2.546 3.541 -13.263 418 HD2 LYS 80 HD2 LYS 80 0.598 4.952 -12.903 419 HD3 LYS 80 HD3 LYS 80 1.427 6.376 -13.542 420 HE2 LYS 80 HE2 LYS 80 0.726 3.894 -15.166 421 HE3 LYS 80 HE3 LYS 80 -0.200 5.403 -15.139 422 HZ1 LYS 80 HZ1 LYS 80 2.607 5.137 -16.094 423 HZ2 LYS 80 HZ2 LYS 80 1.296 5.363 -17.023 424 HZ3 LYS 80 HZ3 LYS 80 1.813 6.544 -15.998 425 H GLU 81 H GLU 81 4.284 6.141 -9.834 426 HA GLU 81 HA GLU 81 6.845 7.584 -9.577 427 HB2 GLU 81 HB2 GLU 81 5.697 8.605 -11.592 428 HB3 GLU 81 HB3 GLU 81 4.379 9.112 -10.537 429 HG2 GLU 81 HG2 GLU 81 5.833 10.678 -9.398 430 HG3 GLU 81 HG3 GLU 81 7.268 9.950 -10.121 431 H MET 82 H MET 82 3.800 6.660 -8.161 432 HA MET 82 HA MET 82 3.415 8.985 -6.542 433 HB2 MET 82 HB2 MET 82 2.401 6.229 -5.805 434 HB3 MET 82 HB3 MET 82 1.719 7.805 -5.388 435 HG2 MET 82 HG2 MET 82 1.435 8.144 -7.940 436 HG3 MET 82 HG3 MET 82 1.807 6.414 -8.067 437 HE1 MET 82 HE1 MET 82 -0.806 9.157 -7.210 438 HE2 MET 82 HE2 MET 82 -2.041 8.294 -6.272 439 HE3 MET 82 HE3 MET 82 -0.451 8.625 -5.549 440 H LEU 83 H LEU 83 5.116 5.990 -5.782 441 HA LEU 83 HA LEU 83 6.567 7.235 -3.662 442 HB2 LEU 83 HB2 LEU 83 5.770 6.352 -1.719 443 HB3 LEU 83 HB3 LEU 83 4.288 6.701 -2.561 444 HG LEU 83 HG LEU 83 5.550 3.998 -2.019 445 HD11 LEU 83 HD11 LEU 83 2.858 5.208 -1.302 446 HD12 LEU 83 HD12 LEU 83 3.420 3.577 -0.873 447 HD13 LEU 83 HD13 LEU 83 4.248 4.997 -0.211 448 HD21 LEU 83 HD21 LEU 83 4.702 3.844 -4.281 449 HD22 LEU 83 HD22 LEU 83 3.660 2.943 -3.172 450 HD23 LEU 83 HD23 LEU 83 3.141 4.540 -3.770 451 H SER 84 H SER 84 7.762 5.337 -2.330 452 HA SER 84 HA SER 84 8.740 3.291 -4.272 453 HB2 SER 84 HB2 SER 84 10.492 4.774 -2.290 454 HB3 SER 84 HB3 SER 84 10.963 3.487 -3.434 455 HG SER 84 HG SER 84 11.514 5.374 -4.412 456 H THR 85 H THR 85 10.112 1.648 -2.978 457 HA THR 85 HA THR 85 9.047 1.119 -0.313 458 HB THR 85 HB THR 85 7.324 0.243 -1.680 459 HG1 THR 85 HG1 THR 85 7.207 -1.672 -0.850 460 HG21 THR 85 HG21 THR 85 9.350 -1.486 -3.098 461 HG22 THR 85 HG22 THR 85 7.583 -1.392 -3.413 462 HG23 THR 85 HG23 THR 85 8.615 0.001 -3.784 463 H GLU 86 H GLU 86 10.287 -0.133 0.921 464 HA GLU 86 HA GLU 86 12.756 -1.331 -0.246 465 HB2 GLU 86 HB2 GLU 86 14.138 -0.236 1.429 466 HB3 GLU 86 HB3 GLU 86 13.337 0.926 0.368 467 HG2 GLU 86 HG2 GLU 86 11.567 1.173 2.258 468 HG3 GLU 86 HG3 GLU 86 12.710 0.297 3.278 469 H LYS 87 H LYS 87 13.636 -3.098 0.891 470 HA LYS 87 HA LYS 87 11.682 -4.365 2.637 471 HB2 LYS 87 HB2 LYS 87 12.313 -5.328 0.459 472 HB3 LYS 87 HB3 LYS 87 14.020 -5.376 0.984 473 HG2 LYS 87 HG2 LYS 87 13.234 -6.803 2.912 474 HG3 LYS 87 HG3 LYS 87 11.601 -6.798 2.185 475 HD2 LYS 87 HD2 LYS 87 12.646 -7.749 0.102 476 HD3 LYS 87 HD3 LYS 87 14.220 -7.740 0.964 477 HE2 LYS 87 HE2 LYS 87 11.711 -8.894 2.075 478 HE3 LYS 87 HE3 LYS 87 12.772 -9.894 1.026 479 HZ1 LYS 87 HZ1 LYS 87 13.462 -8.732 3.679 480 HZ2 LYS 87 HZ2 LYS 87 13.418 -10.345 3.296 481 HZ3 LYS 87 HZ3 LYS 87 14.589 -9.356 2.676 482 H GLU 88 H GLU 88 11.905 -4.559 4.575 483 HA GLU 88 HA GLU 88 14.422 -4.451 6.103 484 HB2 GLU 88 HB2 GLU 88 12.706 -3.034 6.831 485 HB3 GLU 88 HB3 GLU 88 11.445 -4.212 6.667 486 HG2 GLU 88 HG2 GLU 88 13.662 -4.490 8.665 487 HG3 GLU 88 HG3 GLU 88 12.219 -3.529 9.014 488 H GLY 89 H GLY 89 14.575 -6.252 7.859 489 HA2 GLY 89 HA2 GLY 89 14.955 -8.732 6.493 490 HA3 GLY 89 HA3 GLY 89 15.141 -8.445 8.218 491 H ARG 90 H ARG 90 12.034 -7.601 7.894 492 HA ARG 90 HA ARG 90 10.854 -10.358 7.909 493 HB2 ARG 90 HB2 ARG 90 9.929 -7.925 9.477 494 HB3 ARG 90 HB3 ARG 90 9.270 -9.546 9.576 495 HG2 ARG 90 HG2 ARG 90 11.075 -10.361 10.843 496 HG3 ARG 90 HG3 ARG 90 12.194 -9.162 10.237 497 HD2 ARG 90 HD2 ARG 90 11.912 -8.411 12.370 498 HD3 ARG 90 HD3 ARG 90 10.843 -7.380 11.455 499 HE ARG 90 HE ARG 90 8.936 -8.501 12.352 500 HH11 ARG 90 HH11 ARG 90 11.881 -9.839 13.785 501 HH12 ARG 90 HH12 ARG 90 11.100 -10.048 15.329 502 HH21 ARG 90 HH21 ARG 90 7.947 -9.210 14.213 503 HH22 ARG 90 HH22 ARG 90 8.901 -9.888 15.494 504 H LYS 91 H LYS 91 9.968 -6.902 7.129 505 HA LYS 91 HA LYS 91 8.754 -7.897 4.649 506 HB2 LYS 91 HB2 LYS 91 7.328 -7.049 7.085 507 HB3 LYS 91 HB3 LYS 91 6.817 -6.052 5.735 508 HG2 LYS 91 HG2 LYS 91 5.903 -7.801 4.567 509 HG3 LYS 91 HG3 LYS 91 7.132 -8.956 5.102 510 HD2 LYS 91 HD2 LYS 91 6.193 -9.038 7.326 511 HD3 LYS 91 HD3 LYS 91 4.853 -7.977 6.785 512 HE2 LYS 91 HE2 LYS 91 4.672 -9.710 4.781 513 HE3 LYS 91 HE3 LYS 91 5.597 -10.786 5.824 514 HZ1 LYS 91 HZ1 LYS 91 2.899 -9.650 6.327 515 HZ2 LYS 91 HZ2 LYS 91 3.299 -11.222 6.057 516 HZ3 LYS 91 HZ3 LYS 91 3.741 -10.497 7.471 517 H PHE 92 H PHE 92 7.386 -6.075 3.611 518 HA PHE 92 HA PHE 92 9.388 -4.204 2.480 519 HB2 PHE 92 HB2 PHE 92 6.589 -5.107 1.738 520 HB3 PHE 92 HB3 PHE 92 7.284 -3.641 1.058 521 HD1 PHE 92 HD2 PHE 92 9.545 -3.730 -0.023 522 HD2 PHE 92 HD1 PHE 92 7.164 -7.214 0.810 523 HE1 PHE 92 HE2 PHE 92 10.764 -4.947 -1.782 524 HE2 PHE 92 HE1 PHE 92 8.430 -8.496 -0.944 525 HZ PHE 92 HZ PHE 92 10.228 -7.353 -2.245 526 H VAL 93 H VAL 93 9.295 -2.061 2.766 527 HA VAL 93 HA VAL 93 7.061 -0.855 4.312 528 HB VAL 93 HB VAL 93 10.050 -0.312 4.344 529 HG11 VAL 93 HG11 VAL 93 7.793 1.432 5.431 530 HG12 VAL 93 HG12 VAL 93 9.510 1.615 5.849 531 HG13 VAL 93 HG13 VAL 93 8.990 1.872 4.175 532 HG21 VAL 93 HG21 VAL 93 9.169 -2.090 5.860 533 HG22 VAL 93 HG22 VAL 93 9.708 -0.677 6.776 534 HG23 VAL 93 HG23 VAL 93 7.973 -0.930 6.495 535 H TYR 94 H TYR 94 5.828 0.247 3.038 536 HA TYR 94 HA TYR 94 6.730 1.423 0.482 537 HB2 TYR 94 HB2 TYR 94 4.019 0.943 1.785 538 HB3 TYR 94 HB3 TYR 94 4.242 1.723 0.223 539 HD1 TYR 94 HD2 TYR 94 5.041 0.493 -1.724 540 HD2 TYR 94 HD1 TYR 94 4.292 -1.540 2.004 541 HE1 TYR 94 HE2 TYR 94 5.169 -1.707 -2.892 542 HE2 TYR 94 HE1 TYR 94 4.311 -3.739 0.815 543 HH TYR 94 HH TYR 94 4.804 -4.796 -1.179 544 H ARG 95 H ARG 95 7.603 3.403 0.638 545 HA ARG 95 HA ARG 95 6.099 5.562 2.007 546 HB2 ARG 95 HB2 ARG 95 7.889 6.307 3.394 547 HB3 ARG 95 HB3 ARG 95 7.570 4.622 3.731 548 HG2 ARG 95 HG2 ARG 95 9.564 3.950 2.506 549 HG3 ARG 95 HG3 ARG 95 9.862 5.609 1.968 550 HD2 ARG 95 HD2 ARG 95 10.130 6.339 4.295 551 HD3 ARG 95 HD3 ARG 95 9.771 4.695 4.898 552 HE ARG 95 HE ARG 95 11.870 4.279 3.164 553 HH11 ARG 95 HH11 ARG 95 11.722 6.698 5.760 554 HH12 ARG 95 HH12 ARG 95 13.458 6.547 5.975 555 HH21 ARG 95 HH21 ARG 95 13.900 4.173 3.569 556 HH22 ARG 95 HH22 ARG 95 14.673 5.365 4.613 557 HA PRO 96 HA PRO 96 7.686 8.013 -1.273 558 HB2 PRO 96 HB2 PRO 96 7.378 10.620 -0.447 559 HB3 PRO 96 HB3 PRO 96 5.860 9.364 -0.784 560 HG2 PRO 96 HG2 PRO 96 7.145 10.127 1.907 561 HG3 PRO 96 HG3 PRO 96 5.509 10.049 1.480 562 HD2 PRO 96 HD2 PRO 96 6.852 8.003 2.704 563 HD3 PRO 96 HD3 PRO 96 5.477 7.723 1.609 564 H LEU 97 H LEU 97 9.683 8.337 -2.001 565 HA LEU 97 HA LEU 97 11.851 9.466 -0.328 566 HB2 LEU 97 HB2 LEU 97 11.572 7.821 -2.796 567 HB3 LEU 97 HB3 LEU 97 13.030 8.793 -2.584 568 HG LEU 97 HG LEU 97 13.612 7.733 -0.531 569 HD11 LEU 97 HD11 LEU 97 10.990 6.194 -0.645 570 HD12 LEU 97 HD12 LEU 97 12.379 5.740 0.371 571 HD13 LEU 97 HD13 LEU 97 11.561 7.269 0.654 572 HD21 LEU 97 HD21 LEU 97 14.119 6.680 -2.674 573 HD22 LEU 97 HD22 LEU 97 13.932 5.461 -1.390 574 HD23 LEU 97 HD23 LEU 97 12.599 5.769 -2.551 575 H MET 98 H MET 98 13.314 10.739 -2.212 576 HA MET 98 HA MET 98 11.669 12.824 -3.563 577 HB2 MET 98 HB2 MET 98 13.103 14.577 -2.694 578 HB3 MET 98 HB3 MET 98 12.400 13.672 -1.344 579 HG2 MET 98 HG2 MET 98 14.562 12.352 -1.203 580 HG3 MET 98 HG3 MET 98 15.234 13.414 -2.442 581 HE1 MET 98 HE1 MET 98 17.289 13.950 -0.951 582 HE2 MET 98 HE2 MET 98 17.186 14.508 0.729 583 HE3 MET 98 HE3 MET 98 16.667 12.867 0.308 584 H GLU 99 H GLU 99 13.977 10.455 -3.984 585 HA GLU 99 HA GLU 99 15.331 11.698 -6.306 586 HB2 GLU 99 HB2 GLU 99 16.644 12.236 -4.332 587 HB3 GLU 99 HB3 GLU 99 16.617 10.562 -3.782 588 HG2 GLU 99 HG2 GLU 99 18.058 9.852 -5.603 589 HG3 GLU 99 HG3 GLU 99 17.955 11.429 -6.363 Start of MODEL 11 1 H PHE 31 H1 PHE 31 -21.386 7.074 -17.969 2 HA PHE 31 HA PHE 31 -18.498 7.280 -17.982 3 HB2 PHE 31 HB2 PHE 31 -20.045 9.590 -18.595 4 HB3 PHE 31 HB3 PHE 31 -19.447 9.761 -16.951 5 HD1 PHE 31 HD2 PHE 31 -18.357 8.867 -20.444 6 HD2 PHE 31 HD1 PHE 31 -17.141 10.276 -16.544 7 HE1 PHE 31 HE2 PHE 31 -16.048 9.248 -21.291 8 HE2 PHE 31 HE1 PHE 31 -14.856 10.681 -17.413 9 HZ PHE 31 HZ PHE 31 -14.306 10.157 -19.777 10 H ASN 32 H ASN 32 -17.708 6.748 -15.978 11 HA ASN 32 HA ASN 32 -19.619 6.662 -13.687 12 HB2 ASN 32 HB2 ASN 32 -19.449 4.504 -15.147 13 HB3 ASN 32 HB3 ASN 32 -17.849 4.318 -14.464 14 HD21 ASN 32 HD22 ASN 32 -20.835 3.046 -14.185 15 HD22 ASN 32 HD21 ASN 32 -20.793 2.680 -12.475 16 H VAL 33 H VAL 33 -18.252 5.890 -11.647 17 HA VAL 33 HA VAL 33 -15.667 7.346 -11.510 18 HB VAL 33 HB VAL 33 -18.028 8.057 -9.731 19 HG11 VAL 33 HG11 VAL 33 -15.229 9.265 -9.955 20 HG12 VAL 33 HG12 VAL 33 -16.541 9.849 -8.909 21 HG13 VAL 33 HG13 VAL 33 -15.816 8.275 -8.598 22 HG21 VAL 33 HG21 VAL 33 -18.398 9.056 -11.933 23 HG22 VAL 33 HG22 VAL 33 -17.872 10.304 -10.803 24 HG23 VAL 33 HG23 VAL 33 -16.715 9.641 -11.981 25 H SER 34 H SER 34 -14.775 5.246 -11.212 26 HA SER 34 HA SER 34 -14.726 4.410 -8.402 27 HB2 SER 34 HB2 SER 34 -16.649 3.147 -9.320 28 HB3 SER 34 HB3 SER 34 -15.592 2.439 -10.550 29 HG SER 34 HG SER 34 -16.003 1.216 -8.581 30 H ASN 35 H ASN 35 -12.531 4.450 -8.069 31 HA ASN 35 HA ASN 35 -10.765 2.855 -9.807 32 HB2 ASN 35 HB2 ASN 35 -10.991 5.164 -10.838 33 HB3 ASN 35 HB3 ASN 35 -10.286 5.839 -9.364 34 HD21 ASN 35 HD22 ASN 35 -8.859 6.596 -11.345 35 HD22 ASN 35 HD21 ASN 35 -7.453 5.584 -11.610 36 H ALA 36 H ALA 36 -8.887 2.189 -8.805 37 HA ALA 36 HA ALA 36 -8.780 2.141 -5.912 38 HB1 ALA 36 HB1 ALA 36 -6.823 1.249 -8.091 39 HB2 ALA 36 HB2 ALA 36 -6.733 0.818 -6.380 40 HB3 ALA 36 HB3 ALA 36 -8.103 0.248 -7.353 41 H GLU 37 H GLU 37 -7.419 4.235 -8.294 42 HA GLU 37 HA GLU 37 -5.080 5.198 -6.934 43 HB2 GLU 37 HB2 GLU 37 -6.734 6.309 -9.229 44 HB3 GLU 37 HB3 GLU 37 -5.136 6.906 -8.764 45 HG2 GLU 37 HG2 GLU 37 -4.046 4.873 -9.355 46 HG3 GLU 37 HG3 GLU 37 -5.559 3.987 -9.504 47 H LEU 38 H LEU 38 -6.977 5.311 -4.992 48 HA LEU 38 HA LEU 38 -7.372 8.203 -4.446 49 HB2 LEU 38 HB2 LEU 38 -9.337 6.860 -5.717 50 HB3 LEU 38 HB3 LEU 38 -9.758 6.373 -4.089 51 HG LEU 38 HG LEU 38 -9.544 9.212 -5.182 52 HD11 LEU 38 HD11 LEU 38 -11.955 7.593 -4.251 53 HD12 LEU 38 HD12 LEU 38 -11.976 9.241 -4.915 54 HD13 LEU 38 HD13 LEU 38 -11.503 7.882 -5.947 55 HD21 LEU 38 HD21 LEU 38 -8.939 9.313 -2.827 56 HD22 LEU 38 HD22 LEU 38 -10.586 9.920 -3.024 57 HD23 LEU 38 HD23 LEU 38 -10.321 8.282 -2.384 58 H ILE 39 H ILE 39 -8.509 5.100 -2.948 59 HA ILE 39 HA ILE 39 -8.300 6.048 -0.303 60 HB ILE 39 HB ILE 39 -8.330 3.192 -1.307 61 HG12 ILE 39 HG12 ILE 39 -10.453 5.167 -0.333 62 HG13 ILE 39 HG13 ILE 39 -10.270 4.530 -1.969 63 HG21 ILE 39 HG21 ILE 39 -8.816 4.219 1.535 64 HG22 ILE 39 HG22 ILE 39 -8.995 2.542 0.980 65 HG23 ILE 39 HG23 ILE 39 -7.404 3.268 1.028 66 HD11 ILE 39 HD11 ILE 39 -11.172 3.020 0.489 67 HD12 ILE 39 HD12 ILE 39 -12.104 3.415 -0.962 68 HD13 ILE 39 HD13 ILE 39 -10.774 2.236 -1.067 69 H VAL 40 H VAL 40 -5.965 3.846 -1.959 70 HA VAL 40 HA VAL 40 -4.060 3.822 0.170 71 HB VAL 40 HB VAL 40 -2.428 3.068 -1.546 72 HG11 VAL 40 HG11 VAL 40 -5.104 1.624 -1.758 73 HG12 VAL 40 HG12 VAL 40 -3.479 0.947 -2.012 74 HG13 VAL 40 HG13 VAL 40 -3.970 1.478 -0.398 75 HG21 VAL 40 HG21 VAL 40 -3.242 4.333 -3.522 76 HG22 VAL 40 HG22 VAL 40 -3.172 2.601 -3.824 77 HG23 VAL 40 HG23 VAL 40 -4.735 3.365 -3.533 78 H MET 41 H MET 41 -4.662 6.238 -2.280 79 HA MET 41 HA MET 41 -2.137 7.639 -2.025 80 HB2 MET 41 HB2 MET 41 -3.814 7.634 -3.996 81 HB3 MET 41 HB3 MET 41 -4.774 8.767 -3.042 82 HG2 MET 41 HG2 MET 41 -2.838 10.333 -2.996 83 HG3 MET 41 HG3 MET 41 -1.913 9.185 -3.973 84 HE1 MET 41 HE1 MET 41 -1.390 11.061 -5.754 85 HE2 MET 41 HE2 MET 41 -2.632 12.087 -6.509 86 HE3 MET 41 HE3 MET 41 -2.293 12.243 -4.769 87 H ARG 42 H ARG 42 -4.867 7.440 0.081 88 HA ARG 42 HA ARG 42 -3.977 9.954 1.467 89 HB2 ARG 42 HB2 ARG 42 -6.844 9.041 1.041 90 HB3 ARG 42 HB3 ARG 42 -6.324 10.380 2.088 91 HG2 ARG 42 HG2 ARG 42 -5.112 11.357 0.063 92 HG3 ARG 42 HG3 ARG 42 -5.948 10.150 -0.924 93 HD2 ARG 42 HD2 ARG 42 -8.125 11.109 -0.210 94 HD3 ARG 42 HD3 ARG 42 -7.255 12.320 0.757 95 HE ARG 42 HE ARG 42 -6.558 12.064 -2.113 96 HH11 ARG 42 HH11 ARG 42 -8.139 14.131 0.261 97 HH12 ARG 42 HH12 ARG 42 -8.070 15.506 -0.804 98 HH21 ARG 42 HH21 ARG 42 -6.567 13.807 -3.391 99 HH22 ARG 42 HH22 ARG 42 -7.330 15.274 -2.839 100 H VAL 43 H VAL 43 -5.129 6.602 2.077 101 HA VAL 43 HA VAL 43 -4.900 7.045 4.921 102 HB VAL 43 HB VAL 43 -4.949 4.833 5.376 103 HG11 VAL 43 HG11 VAL 43 -6.918 4.004 4.216 104 HG12 VAL 43 HG12 VAL 43 -7.046 5.743 4.506 105 HG13 VAL 43 HG13 VAL 43 -6.652 5.141 2.883 106 HG21 VAL 43 HG21 VAL 43 -3.243 3.842 3.963 107 HG22 VAL 43 HG22 VAL 43 -4.722 2.911 3.866 108 HG23 VAL 43 HG23 VAL 43 -4.283 4.027 2.527 109 H ILE 44 H ILE 44 -2.389 5.989 2.519 110 HA ILE 44 HA ILE 44 -0.447 5.629 4.606 111 HB ILE 44 HB ILE 44 -0.012 6.070 1.625 112 HG12 ILE 44 HG12 ILE 44 -0.322 3.462 3.175 113 HG13 ILE 44 HG13 ILE 44 -1.622 4.167 2.243 114 HG21 ILE 44 HG21 ILE 44 1.706 4.852 3.846 115 HG22 ILE 44 HG22 ILE 44 2.129 4.802 2.118 116 HG23 ILE 44 HG23 ILE 44 2.038 6.345 2.964 117 HD11 ILE 44 HD11 ILE 44 0.975 3.177 1.060 118 HD12 ILE 44 HD12 ILE 44 -0.660 2.502 0.875 119 HD13 ILE 44 HD13 ILE 44 -0.287 4.096 0.193 120 H TRP 45 H TRP 45 -1.350 8.407 2.663 121 HA TRP 45 HA TRP 45 0.900 10.119 3.108 122 HB2 TRP 45 HB2 TRP 45 -0.775 10.635 1.444 123 HB3 TRP 45 HB3 TRP 45 -2.058 10.649 2.650 124 HD1 TRP 45 HD1 TRP 45 -2.357 12.732 4.154 125 HE1 TRP 45 HE1 TRP 45 -1.399 15.089 4.205 126 HE3 TRP 45 HE3 TRP 45 1.382 12.152 0.706 127 HZ2 TRP 45 HZ2 TRP 45 0.741 16.561 2.920 128 HZ3 TRP 45 HZ3 TRP 45 2.923 14.034 0.203 129 HH2 TRP 45 HH2 TRP 45 2.616 16.243 1.307 130 H SER 46 H SER 46 -1.609 9.110 5.298 131 HA SER 46 HA SER 46 -1.485 11.549 6.994 132 HB2 SER 46 HB2 SER 46 -3.578 10.374 6.590 133 HB3 SER 46 HB3 SER 46 -2.929 8.890 7.349 134 HG SER 46 HG SER 46 -4.115 9.943 8.884 135 H LEU 47 H LEU 47 -0.544 8.168 7.210 136 HA LEU 47 HA LEU 47 0.824 8.160 9.686 137 HB2 LEU 47 HB2 LEU 47 -0.061 6.454 7.448 138 HB3 LEU 47 HB3 LEU 47 1.613 6.096 7.776 139 HG LEU 47 HG LEU 47 -0.415 6.274 10.044 140 HD11 LEU 47 HD11 LEU 47 0.244 3.838 8.329 141 HD12 LEU 47 HD12 LEU 47 -0.702 3.824 9.830 142 HD13 LEU 47 HD13 LEU 47 -1.321 4.685 8.410 143 HD21 LEU 47 HD21 LEU 47 2.084 6.346 10.334 144 HD22 LEU 47 HD22 LEU 47 1.310 4.950 11.155 145 HD23 LEU 47 HD23 LEU 47 2.179 4.754 9.600 146 H GLY 48 H GLY 48 1.875 8.090 6.381 147 HA2 GLY 48 HA2 GLY 48 3.601 9.596 5.450 148 HA3 GLY 48 HA3 GLY 48 4.547 9.337 6.930 149 H GLU 49 H GLU 49 4.120 6.550 7.219 150 HA GLU 49 HA GLU 49 5.224 5.177 4.869 151 HB2 GLU 49 HB2 GLU 49 7.074 5.994 6.376 152 HB3 GLU 49 HB3 GLU 49 6.289 5.190 7.745 153 HG2 GLU 49 HG2 GLU 49 6.565 3.325 5.638 154 HG3 GLU 49 HG3 GLU 49 8.110 4.113 5.902 155 H ALA 50 H ALA 50 4.474 3.024 4.796 156 HA ALA 50 HA ALA 50 3.225 1.883 7.228 157 HB1 ALA 50 HB1 ALA 50 1.799 2.264 4.574 158 HB2 ALA 50 HB2 ALA 50 1.188 1.245 5.905 159 HB3 ALA 50 HB3 ALA 50 1.369 2.988 6.134 160 H ARG 51 H ARG 51 3.079 -0.364 7.234 161 HA ARG 51 HA ARG 51 5.051 -1.799 5.525 162 HB2 ARG 51 HB2 ARG 51 3.378 -2.932 7.821 163 HB3 ARG 51 HB3 ARG 51 4.729 -3.682 7.001 164 HG2 ARG 51 HG2 ARG 51 5.550 -3.013 9.072 165 HG3 ARG 51 HG3 ARG 51 6.237 -1.865 7.929 166 HD2 ARG 51 HD2 ARG 51 4.818 -0.108 8.698 167 HD3 ARG 51 HD3 ARG 51 3.725 -1.222 9.536 168 HE ARG 51 HE ARG 51 6.247 -0.098 10.477 169 HH11 ARG 51 HH11 ARG 51 3.785 -2.530 11.238 170 HH12 ARG 51 HH12 ARG 51 4.609 -2.980 12.711 171 HH21 ARG 51 HH21 ARG 51 7.154 -0.778 12.420 172 HH22 ARG 51 HH22 ARG 51 6.425 -2.099 13.287 173 H VAL 52 H VAL 52 4.308 -3.817 4.338 174 HA VAL 52 HA VAL 52 2.043 -3.418 2.817 175 HB VAL 52 HB VAL 52 2.940 -5.009 1.676 176 HG11 VAL 52 HG11 VAL 52 4.375 -5.903 4.194 177 HG12 VAL 52 HG12 VAL 52 4.761 -6.467 2.537 178 HG13 VAL 52 HG13 VAL 52 4.956 -4.747 2.974 179 HG21 VAL 52 HG21 VAL 52 1.130 -6.353 2.276 180 HG22 VAL 52 HG22 VAL 52 2.574 -7.382 2.200 181 HG23 VAL 52 HG23 VAL 52 1.924 -6.949 3.782 182 H ASP 53 H ASP 53 2.233 -5.395 5.711 183 HA ASP 53 HA ASP 53 -0.563 -6.109 5.630 184 HB2 ASP 53 HB2 ASP 53 1.156 -6.488 8.032 185 HB3 ASP 53 HB3 ASP 53 -0.031 -7.546 7.237 186 H GLU 54 H GLU 54 0.922 -3.260 6.542 187 HA GLU 54 HA GLU 54 -1.146 -2.413 8.510 188 HB2 GLU 54 HB2 GLU 54 1.545 -1.733 8.132 189 HB3 GLU 54 HB3 GLU 54 0.719 -0.417 7.360 190 HG2 GLU 54 HG2 GLU 54 0.491 -1.476 10.229 191 HG3 GLU 54 HG3 GLU 54 1.238 0.046 9.741 192 H ILE 55 H ILE 55 0.081 -1.543 5.221 193 HA ILE 55 HA ILE 55 -2.016 0.305 4.579 194 HB ILE 55 HB ILE 55 -1.542 -0.186 2.189 195 HG12 ILE 55 HG12 ILE 55 0.219 -2.242 3.484 196 HG13 ILE 55 HG13 ILE 55 -1.094 -2.575 2.317 197 HG21 ILE 55 HG21 ILE 55 0.999 0.049 3.829 198 HG22 ILE 55 HG22 ILE 55 0.712 0.680 2.185 199 HG23 ILE 55 HG23 ILE 55 -0.155 1.369 3.592 200 HD11 ILE 55 HD11 ILE 55 1.644 -1.501 1.896 201 HD12 ILE 55 HD12 ILE 55 0.862 -2.956 1.213 202 HD13 ILE 55 HD13 ILE 55 0.338 -1.302 0.671 203 H TYR 56 H TYR 56 -1.946 -3.335 4.064 204 HA TYR 56 HA TYR 56 -4.592 -3.457 3.106 205 HB2 TYR 56 HB2 TYR 56 -2.743 -5.176 3.162 206 HB3 TYR 56 HB3 TYR 56 -3.152 -5.494 4.848 207 HD1 TYR 56 HD1 TYR 56 -4.152 -5.817 1.370 208 HD2 TYR 56 HD2 TYR 56 -5.383 -6.416 5.438 209 HE1 TYR 56 HE1 TYR 56 -6.031 -7.213 0.576 210 HE2 TYR 56 HE2 TYR 56 -7.319 -7.802 4.657 211 HH TYR 56 HH TYR 56 -8.186 -8.169 1.268 212 H ALA 57 H ALA 57 -3.404 -3.135 6.406 213 HA ALA 57 HA ALA 57 -5.800 -4.004 7.735 214 HB1 ALA 57 HB1 ALA 57 -3.877 -1.922 8.781 215 HB2 ALA 57 HB2 ALA 57 -4.851 -3.066 9.692 216 HB3 ALA 57 HB3 ALA 57 -3.462 -3.668 8.730 217 H GLN 58 H GLN 58 -5.017 -0.981 5.978 218 HA GLN 58 HA GLN 58 -7.288 0.362 7.180 219 HB2 GLN 58 HB2 GLN 58 -4.864 0.977 5.588 220 HB3 GLN 58 HB3 GLN 58 -6.282 1.840 5.053 221 HG2 GLN 58 HG2 GLN 58 -5.099 3.123 6.630 222 HG3 GLN 58 HG3 GLN 58 -6.737 2.701 7.216 223 HE21 GLN 58 HE22 GLN 58 -3.720 0.663 7.471 224 HE22 GLN 58 HE21 GLN 58 -3.465 1.015 9.099 225 H ILE 59 H ILE 59 -7.010 -1.947 4.808 226 HA ILE 59 HA ILE 59 -9.218 -1.094 3.065 227 HB ILE 59 HB ILE 59 -7.126 -3.236 2.772 228 HG12 ILE 59 HG12 ILE 59 -7.380 -0.441 1.546 229 HG13 ILE 59 HG13 ILE 59 -6.205 -0.933 2.777 230 HG21 ILE 59 HG21 ILE 59 -9.118 -2.152 0.755 231 HG22 ILE 59 HG22 ILE 59 -7.893 -3.432 0.489 232 HG23 ILE 59 HG23 ILE 59 -9.248 -3.722 1.568 233 HD11 ILE 59 HD11 ILE 59 -6.314 -1.898 -0.064 234 HD12 ILE 59 HD12 ILE 59 -5.049 -0.951 0.756 235 HD13 ILE 59 HD13 ILE 59 -5.332 -2.645 1.231 236 HA PRO 60 HA PRO 60 -11.220 -4.279 5.761 237 HB2 PRO 60 HB2 PRO 60 -13.729 -3.211 5.976 238 HB3 PRO 60 HB3 PRO 60 -12.288 -2.599 6.941 239 HG2 PRO 60 HG2 PRO 60 -13.428 -1.495 4.310 240 HG3 PRO 60 HG3 PRO 60 -13.016 -0.608 5.821 241 HD2 PRO 60 HD2 PRO 60 -11.287 -0.755 3.727 242 HD3 PRO 60 HD3 PRO 60 -10.699 -0.790 5.394 243 H GLN 61 H GLN 61 -13.076 -5.754 5.514 244 HA GLN 61 HA GLN 61 -13.315 -7.000 3.085 245 HB2 GLN 61 HB2 GLN 61 -13.853 -7.936 5.253 246 HB3 GLN 61 HB3 GLN 61 -15.284 -6.941 5.407 247 HG2 GLN 61 HG2 GLN 61 -16.517 -8.202 3.884 248 HG3 GLN 61 HG3 GLN 61 -15.044 -8.689 2.956 249 HE21 GLN 61 HE22 GLN 61 -14.142 -10.625 3.354 250 HE22 GLN 61 HE21 GLN 61 -14.427 -11.633 4.765 251 H GLU 62 H GLU 62 -15.063 -4.068 3.904 252 HA GLU 62 HA GLU 62 -17.243 -4.155 2.201 253 HB2 GLU 62 HB2 GLU 62 -16.949 -2.468 3.899 254 HB3 GLU 62 HB3 GLU 62 -15.370 -1.901 3.045 255 HG2 GLU 62 HG2 GLU 62 -16.662 -0.986 1.217 256 HG3 GLU 62 HG3 GLU 62 -18.167 -1.740 1.732 257 H LEU 63 H LEU 63 -13.941 -3.923 1.371 258 HA LEU 63 HA LEU 63 -14.404 -2.902 -1.362 259 HB2 LEU 63 HB2 LEU 63 -11.922 -3.597 0.334 260 HB3 LEU 63 HB3 LEU 63 -11.803 -3.262 -1.380 261 HG LEU 63 HG LEU 63 -11.188 -1.282 -0.263 262 HD11 LEU 63 HD11 LEU 63 -14.063 -0.885 -1.253 263 HD12 LEU 63 HD12 LEU 63 -12.698 0.240 -1.345 264 HD13 LEU 63 HD13 LEU 63 -12.678 -1.244 -2.311 265 HD21 LEU 63 HD21 LEU 63 -12.392 -1.666 1.902 266 HD22 LEU 63 HD22 LEU 63 -12.570 -0.028 1.267 267 HD23 LEU 63 HD23 LEU 63 -13.917 -1.169 1.140 268 H GLU 64 H GLU 64 -14.490 -5.875 0.034 269 HA GLU 64 HA GLU 64 -14.249 -8.057 -0.601 270 HB2 GLU 64 HB2 GLU 64 -14.550 -7.162 -3.471 271 HB3 GLU 64 HB3 GLU 64 -14.915 -8.735 -2.794 272 HG2 GLU 64 HG2 GLU 64 -16.740 -7.668 -1.423 273 HG3 GLU 64 HG3 GLU 64 -16.411 -6.147 -2.223 274 H TRP 65 H TRP 65 -11.781 -5.961 -1.316 275 HA TRP 65 HA TRP 65 -10.216 -7.406 -3.176 276 HB2 TRP 65 HB2 TRP 65 -9.574 -5.249 -1.130 277 HB3 TRP 65 HB3 TRP 65 -8.374 -5.873 -2.241 278 HD1 TRP 65 HD1 TRP 65 -11.439 -5.709 -4.231 279 HE1 TRP 65 HE1 TRP 65 -11.646 -3.536 -5.525 280 HE3 TRP 65 HE3 TRP 65 -7.797 -3.021 -1.870 281 HZ2 TRP 65 HZ2 TRP 65 -10.348 -0.948 -5.606 282 HZ3 TRP 65 HZ3 TRP 65 -7.279 -0.710 -2.585 283 HH2 TRP 65 HH2 TRP 65 -8.567 0.355 -4.424 284 H SER 66 H SER 66 -9.230 -9.252 -3.008 285 HA SER 66 HA SER 66 -8.201 -10.531 -0.644 286 HB2 SER 66 HB2 SER 66 -8.622 -11.703 -2.801 287 HB3 SER 66 HB3 SER 66 -7.346 -10.744 -3.569 288 HG SER 66 HG SER 66 -7.160 -12.897 -1.857 289 H LEU 67 H LEU 67 -5.916 -10.722 0.017 290 HA LEU 67 HA LEU 67 -4.396 -8.360 0.202 291 HB2 LEU 67 HB2 LEU 67 -4.395 -10.582 1.538 292 HB3 LEU 67 HB3 LEU 67 -3.249 -11.142 0.333 293 HG LEU 67 HG LEU 67 -2.014 -10.439 2.231 294 HD11 LEU 67 HD11 LEU 67 -1.956 -8.078 0.356 295 HD12 LEU 67 HD12 LEU 67 -0.620 -8.702 1.366 296 HD13 LEU 67 HD13 LEU 67 -1.231 -9.671 -0.027 297 HD21 LEU 67 HD21 LEU 67 -3.841 -8.737 3.114 298 HD22 LEU 67 HD22 LEU 67 -2.121 -8.422 3.438 299 HD23 LEU 67 HD23 LEU 67 -2.922 -7.562 2.143 300 H ALA 68 H ALA 68 -4.159 -10.916 -2.309 301 HA ALA 68 HA ALA 68 -1.965 -9.880 -3.747 302 HB1 ALA 68 HB1 ALA 68 -4.466 -11.315 -4.743 303 HB2 ALA 68 HB2 ALA 68 -2.933 -11.162 -5.625 304 HB3 ALA 68 HB3 ALA 68 -2.996 -12.091 -4.118 305 H THR 69 H THR 69 -5.254 -8.466 -3.605 306 HA THR 69 HA THR 69 -4.960 -6.823 -5.953 307 HB THR 69 HB THR 69 -6.742 -6.396 -3.555 308 HG1 THR 69 HG1 THR 69 -8.251 -7.135 -5.187 309 HG21 THR 69 HG21 THR 69 -6.571 -5.064 -6.292 310 HG22 THR 69 HG22 THR 69 -8.035 -5.010 -5.283 311 HG23 THR 69 HG23 THR 69 -6.537 -4.267 -4.699 312 H VAL 70 H VAL 70 -4.344 -6.076 -2.331 313 HA VAL 70 HA VAL 70 -3.698 -3.403 -3.073 314 HB VAL 70 HB VAL 70 -4.229 -4.211 -0.691 315 HG11 VAL 70 HG11 VAL 70 -1.246 -4.879 -0.658 316 HG12 VAL 70 HG12 VAL 70 -2.299 -4.757 0.743 317 HG13 VAL 70 HG13 VAL 70 -2.579 -6.033 -0.458 318 HG21 VAL 70 HG21 VAL 70 -3.385 -1.979 -1.425 319 HG22 VAL 70 HG22 VAL 70 -2.807 -2.424 0.206 320 HG23 VAL 70 HG23 VAL 70 -1.726 -2.589 -1.208 321 H LYS 71 H LYS 71 -1.783 -6.231 -2.746 322 HA LYS 71 HA LYS 71 0.862 -5.450 -3.217 323 HB2 LYS 71 HB2 LYS 71 -0.633 -7.848 -4.385 324 HB3 LYS 71 HB3 LYS 71 1.106 -7.724 -4.258 325 HG2 LYS 71 HG2 LYS 71 -0.496 -7.395 -1.720 326 HG3 LYS 71 HG3 LYS 71 -0.403 -9.010 -2.449 327 HD2 LYS 71 HD2 LYS 71 1.909 -9.045 -2.427 328 HD3 LYS 71 HD3 LYS 71 2.038 -7.291 -2.063 329 HE2 LYS 71 HE2 LYS 71 0.847 -7.662 0.101 330 HE3 LYS 71 HE3 LYS 71 0.751 -9.374 -0.242 331 HZ1 LYS 71 HZ1 LYS 71 3.282 -8.020 0.296 332 HZ2 LYS 71 HZ2 LYS 71 2.582 -9.330 1.061 333 HZ3 LYS 71 HZ3 LYS 71 3.166 -9.515 -0.420 334 H THR 72 H THR 72 -1.438 -6.362 -5.758 335 HA THR 72 HA THR 72 0.285 -5.461 -7.908 336 HB THR 72 HB THR 72 -1.356 -7.075 -8.477 337 HG1 THR 72 HG1 THR 72 -2.365 -4.899 -9.811 338 HG21 THR 72 HG21 THR 72 -3.467 -4.934 -7.942 339 HG22 THR 72 HG22 THR 72 -3.742 -6.519 -8.725 340 HG23 THR 72 HG23 THR 72 -3.209 -6.439 -7.047 341 H LEU 73 H LEU 73 -2.335 -3.731 -6.109 342 HA LEU 73 HA LEU 73 -2.533 -1.503 -7.800 343 HB2 LEU 73 HB2 LEU 73 -3.989 -2.510 -5.927 344 HB3 LEU 73 HB3 LEU 73 -2.889 -1.759 -4.781 345 HG LEU 73 HG LEU 73 -4.860 -0.499 -6.692 346 HD11 LEU 73 HD11 LEU 73 -4.418 -0.480 -3.664 347 HD12 LEU 73 HD12 LEU 73 -5.659 0.471 -4.487 348 HD13 LEU 73 HD13 LEU 73 -5.716 -1.306 -4.556 349 HD21 LEU 73 HD21 LEU 73 -2.929 0.872 -6.901 350 HD22 LEU 73 HD22 LEU 73 -4.054 1.700 -5.816 351 HD23 LEU 73 HD23 LEU 73 -2.617 0.816 -5.154 352 H LEU 74 H LEU 74 -0.602 -1.984 -4.808 353 HA LEU 74 HA LEU 74 0.875 0.444 -4.748 354 HB2 LEU 74 HB2 LEU 74 1.688 -2.433 -4.108 355 HB3 LEU 74 HB3 LEU 74 2.713 -1.036 -3.753 356 HG LEU 74 HG LEU 74 -0.049 -1.517 -2.627 357 HD11 LEU 74 HD11 LEU 74 2.486 -2.654 -1.968 358 HD12 LEU 74 HD12 LEU 74 2.149 -1.432 -0.725 359 HD13 LEU 74 HD13 LEU 74 0.982 -2.747 -1.061 360 HD21 LEU 74 HD21 LEU 74 0.274 0.789 -2.824 361 HD22 LEU 74 HD22 LEU 74 0.620 0.387 -1.114 362 HD23 LEU 74 HD23 LEU 74 1.955 0.690 -2.285 363 H GLY 75 H GLY 75 1.629 -2.529 -6.269 364 HA2 GLY 75 HA2 GLY 75 4.139 -1.971 -7.484 365 HA3 GLY 75 HA3 GLY 75 2.959 -3.151 -8.093 366 H ARG 76 H ARG 76 0.983 -0.855 -8.379 367 HA ARG 76 HA ARG 76 1.802 0.048 -11.115 368 HB2 ARG 76 HB2 ARG 76 -0.795 0.486 -9.629 369 HB3 ARG 76 HB3 ARG 76 -0.498 0.903 -11.313 370 HG2 ARG 76 HG2 ARG 76 -0.244 -1.968 -10.369 371 HG3 ARG 76 HG3 ARG 76 -1.794 -1.309 -10.753 372 HD2 ARG 76 HD2 ARG 76 -1.061 -0.939 -13.079 373 HD3 ARG 76 HD3 ARG 76 0.609 -1.382 -12.636 374 HE ARG 76 HE ARG 76 -1.114 -3.529 -11.899 375 HH11 ARG 76 HH11 ARG 76 0.256 -2.167 -14.851 376 HH12 ARG 76 HH12 ARG 76 0.242 -3.697 -15.671 377 HH21 ARG 76 HH21 ARG 76 -1.146 -5.420 -13.044 378 HH22 ARG 76 HH22 ARG 76 -0.567 -5.471 -14.684 379 H LEU 77 H LEU 77 0.919 1.394 -7.844 380 HA LEU 77 HA LEU 77 1.398 4.139 -8.561 381 HB2 LEU 77 HB2 LEU 77 2.279 3.008 -5.883 382 HB3 LEU 77 HB3 LEU 77 1.587 4.581 -6.265 383 HG LEU 77 HG LEU 77 0.142 1.941 -6.154 384 HD11 LEU 77 HD11 LEU 77 0.005 4.338 -4.360 385 HD12 LEU 77 HD12 LEU 77 -0.882 2.791 -4.186 386 HD13 LEU 77 HD13 LEU 77 0.894 2.813 -4.069 387 HD21 LEU 77 HD21 LEU 77 -0.904 3.162 -7.849 388 HD22 LEU 77 HD22 LEU 77 -1.910 3.402 -6.400 389 HD23 LEU 77 HD23 LEU 77 -0.783 4.687 -6.941 390 H VAL 78 H VAL 78 3.498 1.744 -7.152 391 HA VAL 78 HA VAL 78 5.777 3.529 -7.124 392 HB VAL 78 HB VAL 78 6.696 2.317 -5.640 393 HG11 VAL 78 HG11 VAL 78 4.756 0.018 -5.925 394 HG12 VAL 78 HG12 VAL 78 5.718 0.472 -4.512 395 HG13 VAL 78 HG13 VAL 78 4.384 1.519 -5.032 396 HG21 VAL 78 HG21 VAL 78 7.969 1.038 -7.311 397 HG22 VAL 78 HG22 VAL 78 7.621 0.127 -5.855 398 HG23 VAL 78 HG23 VAL 78 6.653 -0.188 -7.325 399 H LYS 79 H LYS 79 4.990 0.989 -9.544 400 HA LYS 79 HA LYS 79 7.400 1.661 -11.061 401 HB2 LYS 79 HB2 LYS 79 4.883 0.090 -11.819 402 HB3 LYS 79 HB3 LYS 79 6.225 0.342 -12.910 403 HG2 LYS 79 HG2 LYS 79 6.266 -1.228 -10.319 404 HG3 LYS 79 HG3 LYS 79 6.532 -1.807 -11.966 405 HD2 LYS 79 HD2 LYS 79 8.323 0.008 -10.304 406 HD3 LYS 79 HD3 LYS 79 8.651 -1.685 -10.739 407 HE2 LYS 79 HE2 LYS 79 8.652 -1.040 -13.157 408 HE3 LYS 79 HE3 LYS 79 8.351 0.635 -12.690 409 HZ1 LYS 79 HZ1 LYS 79 10.823 -0.903 -12.146 410 HZ2 LYS 79 HZ2 LYS 79 10.642 0.445 -13.085 411 HZ3 LYS 79 HZ3 LYS 79 10.517 0.534 -11.449 412 H LYS 80 H LYS 80 4.490 3.222 -10.786 413 HA LYS 80 HA LYS 80 5.250 4.966 -13.107 414 HB2 LYS 80 HB2 LYS 80 2.871 3.971 -12.997 415 HB3 LYS 80 HB3 LYS 80 2.569 5.171 -11.722 416 HG2 LYS 80 HG2 LYS 80 3.005 7.004 -13.271 417 HG3 LYS 80 HG3 LYS 80 3.716 5.912 -14.465 418 HD2 LYS 80 HD2 LYS 80 1.550 4.946 -14.960 419 HD3 LYS 80 HD3 LYS 80 0.802 5.816 -13.613 420 HE2 LYS 80 HE2 LYS 80 0.245 6.896 -15.716 421 HE3 LYS 80 HE3 LYS 80 1.221 7.982 -14.722 422 HZ1 LYS 80 HZ1 LYS 80 2.405 6.311 -16.866 423 HZ2 LYS 80 HZ2 LYS 80 1.766 7.762 -17.170 424 HZ3 LYS 80 HZ3 LYS 80 3.078 7.633 -16.164 425 H GLU 81 H GLU 81 6.398 4.825 -10.330 426 HA GLU 81 HA GLU 81 7.494 6.239 -8.983 427 HB2 GLU 81 HB2 GLU 81 8.122 6.819 -11.389 428 HB3 GLU 81 HB3 GLU 81 7.186 8.301 -11.188 429 HG2 GLU 81 HG2 GLU 81 8.716 9.094 -9.478 430 HG3 GLU 81 HG3 GLU 81 9.457 7.496 -9.321 431 H MET 82 H MET 82 4.416 6.407 -8.647 432 HA MET 82 HA MET 82 4.112 9.078 -7.478 433 HB2 MET 82 HB2 MET 82 2.515 6.528 -6.984 434 HB3 MET 82 HB3 MET 82 2.029 8.180 -6.573 435 HG2 MET 82 HG2 MET 82 2.484 7.089 -9.373 436 HG3 MET 82 HG3 MET 82 0.916 7.291 -8.606 437 HE1 MET 82 HE1 MET 82 0.448 8.459 -11.055 438 HE2 MET 82 HE2 MET 82 1.246 9.964 -11.572 439 HE3 MET 82 HE3 MET 82 2.181 8.450 -11.485 440 H LEU 83 H LEU 83 4.795 5.767 -6.373 441 HA LEU 83 HA LEU 83 5.611 6.811 -3.678 442 HB2 LEU 83 HB2 LEU 83 4.305 4.107 -4.225 443 HB3 LEU 83 HB3 LEU 83 4.784 4.771 -2.666 444 HG LEU 83 HG LEU 83 2.397 5.472 -4.349 445 HD11 LEU 83 HD11 LEU 83 2.727 5.015 -1.364 446 HD12 LEU 83 HD12 LEU 83 1.208 5.104 -2.272 447 HD13 LEU 83 HD13 LEU 83 2.314 3.736 -2.521 448 HD21 LEU 83 HD21 LEU 83 3.066 7.636 -3.967 449 HD22 LEU 83 HD22 LEU 83 2.011 7.342 -2.596 450 HD23 LEU 83 HD23 LEU 83 3.783 7.275 -2.374 451 H SER 84 H SER 84 6.989 5.215 -2.435 452 HA SER 84 HA SER 84 8.574 3.402 -4.181 453 HB2 SER 84 HB2 SER 84 10.041 5.107 -2.165 454 HB3 SER 84 HB3 SER 84 10.647 4.107 -3.511 455 HG SER 84 HG SER 84 9.455 5.683 -4.876 456 H THR 85 H THR 85 10.087 1.996 -2.783 457 HA THR 85 HA THR 85 8.861 1.254 -0.221 458 HB THR 85 HB THR 85 7.264 0.402 -1.802 459 HG1 THR 85 HG1 THR 85 7.892 -0.952 -0.071 460 HG21 THR 85 HG21 THR 85 9.315 -1.346 -3.160 461 HG22 THR 85 HG22 THR 85 7.643 -0.929 -3.660 462 HG23 THR 85 HG23 THR 85 8.930 0.281 -3.787 463 H GLU 86 H GLU 86 10.003 -0.311 0.952 464 HA GLU 86 HA GLU 86 12.507 -1.443 -0.151 465 HB2 GLU 86 HB2 GLU 86 12.551 0.434 2.244 466 HB3 GLU 86 HB3 GLU 86 13.904 -0.548 1.653 467 HG2 GLU 86 HG2 GLU 86 13.616 0.618 -0.606 468 HG3 GLU 86 HG3 GLU 86 12.545 1.766 0.212 469 H LYS 87 H LYS 87 13.692 -2.767 1.744 470 HA LYS 87 HA LYS 87 11.542 -4.605 2.639 471 HB2 LYS 87 HB2 LYS 87 13.568 -4.997 0.921 472 HB3 LYS 87 HB3 LYS 87 14.389 -5.546 2.368 473 HG2 LYS 87 HG2 LYS 87 11.667 -6.405 1.281 474 HG3 LYS 87 HG3 LYS 87 13.194 -7.094 0.694 475 HD2 LYS 87 HD2 LYS 87 13.746 -8.034 2.826 476 HD3 LYS 87 HD3 LYS 87 12.409 -7.113 3.586 477 HE2 LYS 87 HE2 LYS 87 10.762 -8.229 2.254 478 HE3 LYS 87 HE3 LYS 87 12.009 -8.874 1.177 479 HZ1 LYS 87 HZ1 LYS 87 11.778 -9.719 4.014 480 HZ2 LYS 87 HZ2 LYS 87 11.094 -10.591 2.772 481 HZ3 LYS 87 HZ3 LYS 87 12.729 -10.392 2.889 482 H GLU 88 H GLU 88 11.083 -4.913 4.629 483 HA GLU 88 HA GLU 88 13.086 -4.570 6.836 484 HB2 GLU 88 HB2 GLU 88 10.406 -3.408 6.396 485 HB3 GLU 88 HB3 GLU 88 10.560 -4.154 7.960 486 HG2 GLU 88 HG2 GLU 88 12.517 -2.096 6.860 487 HG3 GLU 88 HG3 GLU 88 11.148 -1.724 7.916 488 H GLY 89 H GLY 89 13.610 -6.516 7.533 489 HA2 GLY 89 HA2 GLY 89 13.569 -8.758 8.017 490 HA3 GLY 89 HA3 GLY 89 12.098 -8.353 8.881 491 H ARG 90 H ARG 90 10.457 -9.603 8.382 492 HA ARG 90 HA ARG 90 10.401 -11.413 6.134 493 HB2 ARG 90 HB2 ARG 90 8.061 -10.695 7.953 494 HB3 ARG 90 HB3 ARG 90 8.276 -12.139 6.980 495 HG2 ARG 90 HG2 ARG 90 8.915 -13.092 8.907 496 HG3 ARG 90 HG3 ARG 90 10.489 -12.377 8.547 497 HD2 ARG 90 HD2 ARG 90 9.794 -10.369 9.957 498 HD3 ARG 90 HD3 ARG 90 8.288 -11.230 10.330 499 HE ARG 90 HE ARG 90 10.756 -12.713 10.943 500 HH11 ARG 90 HH11 ARG 90 8.248 -10.679 12.393 501 HH12 ARG 90 HH12 ARG 90 8.769 -11.098 13.994 502 HH21 ARG 90 HH21 ARG 90 11.187 -13.286 12.928 503 HH22 ARG 90 HH22 ARG 90 10.311 -12.608 14.287 504 H LYS 91 H LYS 91 9.612 -8.116 6.093 505 HA LYS 91 HA LYS 91 7.663 -8.441 3.877 506 HB2 LYS 91 HB2 LYS 91 5.945 -7.287 4.893 507 HB3 LYS 91 HB3 LYS 91 6.490 -8.505 6.000 508 HG2 LYS 91 HG2 LYS 91 8.031 -6.350 6.823 509 HG3 LYS 91 HG3 LYS 91 6.577 -5.531 6.199 510 HD2 LYS 91 HD2 LYS 91 5.168 -6.882 7.608 511 HD3 LYS 91 HD3 LYS 91 6.528 -7.882 8.137 512 HE2 LYS 91 HE2 LYS 91 6.487 -4.878 8.618 513 HE3 LYS 91 HE3 LYS 91 5.650 -5.978 9.718 514 HZ1 LYS 91 HZ1 LYS 91 8.577 -6.122 9.167 515 HZ2 LYS 91 HZ2 LYS 91 7.836 -5.511 10.508 516 HZ3 LYS 91 HZ3 LYS 91 7.707 -7.067 10.219 517 H PHE 92 H PHE 92 6.757 -6.019 3.535 518 HA PHE 92 HA PHE 92 9.119 -4.393 2.645 519 HB2 PHE 92 HB2 PHE 92 6.440 -4.884 1.350 520 HB3 PHE 92 HB3 PHE 92 7.367 -3.422 1.027 521 HD1 PHE 92 HD2 PHE 92 7.420 -7.095 0.866 522 HD2 PHE 92 HD1 PHE 92 9.372 -3.431 -0.221 523 HE1 PHE 92 HE2 PHE 92 8.993 -8.375 -0.631 524 HE2 PHE 92 HE1 PHE 92 10.893 -4.643 -1.727 525 HZ PHE 92 HZ PHE 92 10.730 -7.144 -1.937 526 H VAL 93 H VAL 93 8.877 -2.174 2.680 527 HA VAL 93 HA VAL 93 6.731 -0.898 4.336 528 HB VAL 93 HB VAL 93 9.696 -0.221 4.102 529 HG11 VAL 93 HG11 VAL 93 7.416 1.418 5.255 530 HG12 VAL 93 HG12 VAL 93 9.115 1.746 5.596 531 HG13 VAL 93 HG13 VAL 93 8.510 1.916 3.944 532 HG21 VAL 93 HG21 VAL 93 8.977 -1.907 5.829 533 HG22 VAL 93 HG22 VAL 93 9.652 -0.426 6.531 534 HG23 VAL 93 HG23 VAL 93 7.898 -0.674 6.531 535 H TYR 94 H TYR 94 5.798 0.841 3.412 536 HA TYR 94 HA TYR 94 6.543 1.579 0.619 537 HB2 TYR 94 HB2 TYR 94 3.811 1.166 1.913 538 HB3 TYR 94 HB3 TYR 94 4.071 1.849 0.311 539 HD1 TYR 94 HD1 TYR 94 4.949 0.507 -1.529 540 HD2 TYR 94 HD2 TYR 94 4.249 -1.310 2.345 541 HE1 TYR 94 HE1 TYR 94 5.272 -1.760 -2.509 542 HE2 TYR 94 HE2 TYR 94 4.495 -3.514 1.329 543 HH TYR 94 HH TYR 94 5.313 -4.044 -2.070 544 H ARG 95 H ARG 95 7.202 3.558 0.511 545 HA ARG 95 HA ARG 95 6.244 5.699 2.373 546 HB2 ARG 95 HB2 ARG 95 8.517 6.171 3.097 547 HB3 ARG 95 HB3 ARG 95 8.147 4.498 3.460 548 HG2 ARG 95 HG2 ARG 95 9.477 3.708 1.568 549 HG3 ARG 95 HG3 ARG 95 9.726 5.351 0.976 550 HD2 ARG 95 HD2 ARG 95 10.755 4.267 3.613 551 HD3 ARG 95 HD3 ARG 95 11.713 4.479 2.136 552 HE ARG 95 HE ARG 95 10.778 6.984 2.421 553 HH11 ARG 95 HH11 ARG 95 12.457 4.959 4.760 554 HH12 ARG 95 HH12 ARG 95 12.689 6.284 5.879 555 HH21 ARG 95 HH21 ARG 95 11.220 8.625 3.827 556 HH22 ARG 95 HH22 ARG 95 12.069 8.322 5.313 557 HA PRO 96 HA PRO 96 7.512 8.319 -1.125 558 HB2 PRO 96 HB2 PRO 96 7.828 10.761 0.022 559 HB3 PRO 96 HB3 PRO 96 6.224 9.977 -0.073 560 HG2 PRO 96 HG2 PRO 96 8.155 9.975 2.276 561 HG3 PRO 96 HG3 PRO 96 6.413 10.399 2.283 562 HD2 PRO 96 HD2 PRO 96 7.292 7.912 2.959 563 HD3 PRO 96 HD3 PRO 96 5.764 8.150 2.058 564 H LEU 97 H LEU 97 9.300 9.523 -1.935 565 HA LEU 97 HA LEU 97 11.952 9.344 -0.622 566 HB2 LEU 97 HB2 LEU 97 12.894 9.387 -2.744 567 HB3 LEU 97 HB3 LEU 97 11.921 7.980 -2.317 568 HG LEU 97 HG LEU 97 10.069 8.722 -3.723 569 HD11 LEU 97 HD11 LEU 97 11.927 11.056 -4.341 570 HD12 LEU 97 HD12 LEU 97 10.505 10.628 -5.332 571 HD13 LEU 97 HD13 LEU 97 10.295 11.136 -3.645 572 HD21 LEU 97 HD21 LEU 97 11.907 7.309 -4.363 573 HD22 LEU 97 HD22 LEU 97 11.325 8.252 -5.769 574 HD23 LEU 97 HD23 LEU 97 12.840 8.722 -4.907 575 H MET 98 H MET 98 13.295 11.293 -2.094 576 HA MET 98 HA MET 98 11.814 13.819 -1.887 577 HB2 MET 98 HB2 MET 98 13.351 14.868 -0.317 578 HB3 MET 98 HB3 MET 98 12.585 13.468 0.425 579 HG2 MET 98 HG2 MET 98 14.634 12.118 -0.039 580 HG3 MET 98 HG3 MET 98 15.399 13.551 -0.736 581 HE1 MET 98 HE1 MET 98 17.458 13.114 0.796 582 HE2 MET 98 HE2 MET 98 17.403 13.039 2.571 583 HE3 MET 98 HE3 MET 98 16.685 11.732 1.606 584 H GLU 99 H GLU 99 13.346 15.726 -2.427 585 HA GLU 99 HA GLU 99 15.431 15.066 -4.425 586 HB2 GLU 99 HB2 GLU 99 13.063 16.912 -4.949 587 HB3 GLU 99 HB3 GLU 99 14.481 16.718 -5.989 588 HG2 GLU 99 HG2 GLU 99 13.872 14.258 -6.208 589 HG3 GLU 99 HG3 GLU 99 12.345 14.621 -5.403 Start of MODEL 12 1 H PHE 31 H1 PHE 31 -6.567 18.226 -10.843 2 HA PHE 31 HA PHE 31 -3.811 17.567 -11.572 3 HB2 PHE 31 HB2 PHE 31 -4.961 17.932 -8.779 4 HB3 PHE 31 HB3 PHE 31 -3.565 16.925 -9.109 5 HD1 PHE 31 HD1 PHE 31 -1.524 18.019 -10.337 6 HD2 PHE 31 HD2 PHE 31 -4.575 20.217 -8.208 7 HE1 PHE 31 HE1 PHE 31 0.053 19.905 -10.008 8 HE2 PHE 31 HE2 PHE 31 -2.994 22.102 -7.906 9 HZ PHE 31 HZ PHE 31 -0.673 21.940 -8.781 10 H ASN 32 H ASN 32 -3.942 15.464 -12.361 11 HA ASN 32 HA ASN 32 -5.799 13.527 -11.084 12 HB2 ASN 32 HB2 ASN 32 -5.886 14.338 -14.039 13 HB3 ASN 32 HB3 ASN 32 -6.769 13.000 -13.329 14 HD21 ASN 32 HD22 ASN 32 -8.777 13.407 -12.420 15 HD22 ASN 32 HD21 ASN 32 -9.423 15.034 -12.272 16 H VAL 33 H VAL 33 -4.457 11.791 -10.703 17 HA VAL 33 HA VAL 33 -2.680 10.819 -12.910 18 HB VAL 33 HB VAL 33 -0.916 10.327 -11.242 19 HG11 VAL 33 HG11 VAL 33 -1.609 13.285 -11.321 20 HG12 VAL 33 HG12 VAL 33 -0.012 12.552 -11.077 21 HG13 VAL 33 HG13 VAL 33 -0.832 12.379 -12.638 22 HG21 VAL 33 HG21 VAL 33 -2.327 10.343 -9.172 23 HG22 VAL 33 HG22 VAL 33 -0.897 11.374 -9.062 24 HG23 VAL 33 HG23 VAL 33 -2.487 12.110 -9.327 25 H SER 34 H SER 34 -5.156 9.892 -10.846 26 HA SER 34 HA SER 34 -4.211 7.160 -10.299 27 HB2 SER 34 HB2 SER 34 -6.548 7.169 -9.117 28 HB3 SER 34 HB3 SER 34 -5.223 8.114 -8.428 29 HG SER 34 HG SER 34 -7.322 9.220 -8.681 30 H ASN 35 H ASN 35 -5.794 5.393 -10.602 31 HA ASN 35 HA ASN 35 -7.656 5.685 -12.912 32 HB2 ASN 35 HB2 ASN 35 -5.640 3.398 -12.594 33 HB3 ASN 35 HB3 ASN 35 -6.920 3.484 -13.787 34 HD21 ASN 35 HD22 ASN 35 -6.688 5.049 -15.574 35 HD22 ASN 35 HD21 ASN 35 -5.055 5.554 -15.981 36 H ALA 36 H ALA 36 -6.511 3.222 -10.539 37 HA ALA 36 HA ALA 36 -9.004 1.920 -10.244 38 HB1 ALA 36 HB1 ALA 36 -6.562 1.994 -8.363 39 HB2 ALA 36 HB2 ALA 36 -7.904 0.835 -8.296 40 HB3 ALA 36 HB3 ALA 36 -6.849 0.873 -9.711 41 H GLU 37 H GLU 37 -7.464 3.977 -7.737 42 HA GLU 37 HA GLU 37 -9.603 5.730 -7.369 43 HB2 GLU 37 HB2 GLU 37 -10.515 3.546 -6.216 44 HB3 GLU 37 HB3 GLU 37 -9.403 3.939 -4.922 45 HG2 GLU 37 HG2 GLU 37 -10.607 5.880 -4.340 46 HG3 GLU 37 HG3 GLU 37 -11.223 6.119 -5.973 47 H LEU 38 H LEU 38 -8.938 6.437 -4.548 48 HA LEU 38 HA LEU 38 -5.987 6.931 -4.732 49 HB2 LEU 38 HB2 LEU 38 -8.246 8.899 -4.383 50 HB3 LEU 38 HB3 LEU 38 -6.704 9.246 -3.617 51 HG LEU 38 HG LEU 38 -6.967 8.655 -6.588 52 HD11 LEU 38 HD11 LEU 38 -6.764 11.345 -5.175 53 HD12 LEU 38 HD12 LEU 38 -6.738 11.077 -6.930 54 HD13 LEU 38 HD13 LEU 38 -8.202 10.710 -6.002 55 HD21 LEU 38 HD21 LEU 38 -4.677 8.294 -5.749 56 HD22 LEU 38 HD22 LEU 38 -4.734 9.789 -6.680 57 HD23 LEU 38 HD23 LEU 38 -4.710 9.858 -4.907 58 H ILE 39 H ILE 39 -8.361 5.670 -2.689 59 HA ILE 39 HA ILE 39 -7.740 6.490 -0.130 60 HB ILE 39 HB ILE 39 -8.406 3.667 -0.987 61 HG12 ILE 39 HG12 ILE 39 -10.091 6.117 -0.284 62 HG13 ILE 39 HG13 ILE 39 -10.036 5.265 -1.831 63 HG21 ILE 39 HG21 ILE 39 -8.706 5.032 1.734 64 HG22 ILE 39 HG22 ILE 39 -9.211 3.377 1.326 65 HG23 ILE 39 HG23 ILE 39 -7.512 3.772 1.355 66 HD11 ILE 39 HD11 ILE 39 -11.234 4.271 0.756 67 HD12 ILE 39 HD12 ILE 39 -12.061 4.664 -0.760 68 HD13 ILE 39 HD13 ILE 39 -10.991 3.244 -0.688 69 H VAL 40 H VAL 40 -6.068 3.827 -1.851 70 HA VAL 40 HA VAL 40 -4.145 3.246 0.154 71 HB VAL 40 HB VAL 40 -2.887 2.091 -1.666 72 HG11 VAL 40 HG11 VAL 40 -5.879 1.548 -1.759 73 HG12 VAL 40 HG12 VAL 40 -4.569 0.421 -2.165 74 HG13 VAL 40 HG13 VAL 40 -4.760 0.987 -0.498 75 HG21 VAL 40 HG21 VAL 40 -3.338 3.641 -3.552 76 HG22 VAL 40 HG22 VAL 40 -3.783 1.976 -3.939 77 HG23 VAL 40 HG23 VAL 40 -5.047 3.152 -3.550 78 H MET 41 H MET 41 -4.111 6.105 -1.751 79 HA MET 41 HA MET 41 -1.181 6.493 -1.184 80 HB2 MET 41 HB2 MET 41 -1.950 7.199 -3.434 81 HB3 MET 41 HB3 MET 41 -3.178 8.239 -2.698 82 HG2 MET 41 HG2 MET 41 -1.253 9.447 -1.504 83 HG3 MET 41 HG3 MET 41 -0.152 8.558 -2.547 84 HE1 MET 41 HE1 MET 41 -1.039 8.578 -5.383 85 HE2 MET 41 HE2 MET 41 -0.630 10.195 -5.998 86 HE3 MET 41 HE3 MET 41 0.494 9.353 -4.915 87 H ARG 42 H ARG 42 -4.428 7.924 -0.581 88 HA ARG 42 HA ARG 42 -3.447 10.012 1.113 89 HB2 ARG 42 HB2 ARG 42 -5.522 10.269 -0.073 90 HB3 ARG 42 HB3 ARG 42 -6.250 8.872 0.746 91 HG2 ARG 42 HG2 ARG 42 -6.361 9.998 2.815 92 HG3 ARG 42 HG3 ARG 42 -5.254 11.280 2.318 93 HD2 ARG 42 HD2 ARG 42 -6.928 12.279 0.908 94 HD3 ARG 42 HD3 ARG 42 -8.023 10.912 1.119 95 HE ARG 42 HE ARG 42 -7.279 12.943 3.203 96 HH11 ARG 42 HH11 ARG 42 -9.488 10.305 2.341 97 HH12 ARG 42 HH12 ARG 42 -10.247 10.433 3.934 98 HH21 ARG 42 HH21 ARG 42 -8.513 13.027 5.094 99 HH22 ARG 42 HH22 ARG 42 -9.808 11.854 5.279 100 H VAL 43 H VAL 43 -4.462 6.710 2.037 101 HA VAL 43 HA VAL 43 -4.452 7.425 4.857 102 HB VAL 43 HB VAL 43 -4.629 5.119 5.390 103 HG11 VAL 43 HG11 VAL 43 -6.388 5.822 3.018 104 HG12 VAL 43 HG12 VAL 43 -6.756 4.661 4.300 105 HG13 VAL 43 HG13 VAL 43 -6.605 6.377 4.694 106 HG21 VAL 43 HG21 VAL 43 -3.257 3.822 3.983 107 HG22 VAL 43 HG22 VAL 43 -4.860 3.376 3.479 108 HG23 VAL 43 HG23 VAL 43 -3.949 4.521 2.486 109 H ILE 44 H ILE 44 -1.998 5.590 2.947 110 HA ILE 44 HA ILE 44 -0.165 5.309 5.030 111 HB ILE 44 HB ILE 44 0.340 5.605 2.042 112 HG12 ILE 44 HG12 ILE 44 -0.018 3.126 3.794 113 HG13 ILE 44 HG13 ILE 44 -1.285 3.824 2.801 114 HG21 ILE 44 HG21 ILE 44 2.147 4.535 4.255 115 HG22 ILE 44 HG22 ILE 44 2.468 4.314 2.517 116 HG23 ILE 44 HG23 ILE 44 2.452 5.931 3.214 117 HD11 ILE 44 HD11 ILE 44 1.254 2.549 1.765 118 HD12 ILE 44 HD12 ILE 44 -0.439 2.080 1.487 119 HD13 ILE 44 HD13 ILE 44 0.190 3.576 0.777 120 H TRP 45 H TRP 45 -0.530 8.111 2.871 121 HA TRP 45 HA TRP 45 1.781 9.575 3.392 122 HB2 TRP 45 HB2 TRP 45 0.083 10.299 1.824 123 HB3 TRP 45 HB3 TRP 45 -1.113 10.464 3.112 124 HD1 TRP 45 HD1 TRP 45 -0.826 12.487 4.831 125 HE1 TRP 45 HE1 TRP 45 0.509 14.643 4.826 126 HE3 TRP 45 HE3 TRP 45 2.067 11.630 0.684 127 HZ2 TRP 45 HZ2 TRP 45 2.418 15.974 3.109 128 HZ3 TRP 45 HZ3 TRP 45 3.637 13.384 -0.124 129 HH2 TRP 45 HH2 TRP 45 3.821 15.552 1.071 130 H SER 46 H SER 46 -0.851 8.978 5.629 131 HA SER 46 HA SER 46 -0.331 11.290 7.401 132 HB2 SER 46 HB2 SER 46 -2.549 10.425 7.321 133 HB3 SER 46 HB3 SER 46 -1.979 8.744 7.598 134 HG SER 46 HG SER 46 -2.246 10.807 9.511 135 H LEU 47 H LEU 47 0.285 7.832 7.475 136 HA LEU 47 HA LEU 47 1.308 7.597 10.106 137 HB2 LEU 47 HB2 LEU 47 -0.094 6.202 8.478 138 HB3 LEU 47 HB3 LEU 47 1.378 5.809 7.624 139 HG LEU 47 HG LEU 47 1.058 5.217 10.605 140 HD11 LEU 47 HD11 LEU 47 0.141 3.657 8.149 141 HD12 LEU 47 HD12 LEU 47 0.102 3.041 9.830 142 HD13 LEU 47 HD13 LEU 47 -0.909 4.424 9.344 143 HD21 LEU 47 HD21 LEU 47 3.311 4.917 9.696 144 HD22 LEU 47 HD22 LEU 47 2.587 3.314 9.912 145 HD23 LEU 47 HD23 LEU 47 2.661 4.049 8.288 146 H GLY 48 H GLY 48 2.747 7.882 6.914 147 HA2 GLY 48 HA2 GLY 48 4.867 8.946 6.542 148 HA3 GLY 48 HA3 GLY 48 5.437 8.392 8.120 149 H GLU 49 H GLU 49 5.045 5.700 8.105 150 HA GLU 49 HA GLU 49 5.867 4.567 5.525 151 HB2 GLU 49 HB2 GLU 49 7.922 3.773 6.213 152 HB3 GLU 49 HB3 GLU 49 7.858 5.439 6.722 153 HG2 GLU 49 HG2 GLU 49 7.136 4.239 9.045 154 HG3 GLU 49 HG3 GLU 49 8.084 2.938 8.282 155 H ALA 50 H ALA 50 4.613 2.922 5.117 156 HA ALA 50 HA ALA 50 3.372 1.453 7.401 157 HB1 ALA 50 HB1 ALA 50 2.476 1.853 4.535 158 HB2 ALA 50 HB2 ALA 50 1.586 0.948 5.788 159 HB3 ALA 50 HB3 ALA 50 1.847 2.694 5.974 160 H ARG 51 H ARG 51 3.270 -0.777 7.457 161 HA ARG 51 HA ARG 51 5.276 -2.283 5.833 162 HB2 ARG 51 HB2 ARG 51 3.813 -3.091 8.396 163 HB3 ARG 51 HB3 ARG 51 4.928 -4.093 7.487 164 HG2 ARG 51 HG2 ARG 51 6.160 -3.328 9.292 165 HG3 ARG 51 HG3 ARG 51 6.747 -2.388 7.921 166 HD2 ARG 51 HD2 ARG 51 5.534 -0.412 8.715 167 HD3 ARG 51 HD3 ARG 51 4.722 -1.360 9.971 168 HE ARG 51 HE ARG 51 7.063 -1.764 10.911 169 HH11 ARG 51 HH11 ARG 51 6.149 1.376 9.520 170 HH12 ARG 51 HH12 ARG 51 7.540 2.131 10.207 171 HH21 ARG 51 HH21 ARG 51 8.757 -0.623 11.818 172 HH22 ARG 51 HH22 ARG 51 8.912 1.068 11.471 173 H VAL 52 H VAL 52 4.496 -4.499 4.975 174 HA VAL 52 HA VAL 52 2.279 -3.949 3.447 175 HB VAL 52 HB VAL 52 3.002 -5.418 2.137 176 HG11 VAL 52 HG11 VAL 52 4.968 -6.376 4.241 177 HG12 VAL 52 HG12 VAL 52 5.125 -6.490 2.472 178 HG13 VAL 52 HG13 VAL 52 5.134 -4.886 3.240 179 HG21 VAL 52 HG21 VAL 52 1.542 -7.037 2.783 180 HG22 VAL 52 HG22 VAL 52 3.106 -7.843 2.541 181 HG23 VAL 52 HG23 VAL 52 2.520 -7.530 4.211 182 H ASP 53 H ASP 53 2.130 -5.885 6.329 183 HA ASP 53 HA ASP 53 -0.802 -6.400 6.181 184 HB2 ASP 53 HB2 ASP 53 0.313 -8.033 7.371 185 HB3 ASP 53 HB3 ASP 53 1.516 -6.962 7.970 186 H GLU 54 H GLU 54 1.118 -3.681 6.813 187 HA GLU 54 HA GLU 54 -0.831 -2.412 8.627 188 HB2 GLU 54 HB2 GLU 54 1.891 -2.073 8.112 189 HB3 GLU 54 HB3 GLU 54 1.178 -0.735 7.237 190 HG2 GLU 54 HG2 GLU 54 0.913 -1.511 10.159 191 HG3 GLU 54 HG3 GLU 54 1.805 -0.108 9.534 192 H ILE 55 H ILE 55 0.380 -1.883 5.278 193 HA ILE 55 HA ILE 55 -1.505 0.074 4.510 194 HB ILE 55 HB ILE 55 -1.094 -0.676 2.157 195 HG12 ILE 55 HG12 ILE 55 0.359 -2.868 3.638 196 HG13 ILE 55 HG13 ILE 55 -0.878 -3.073 2.374 197 HG21 ILE 55 HG21 ILE 55 1.439 -0.560 3.830 198 HG22 ILE 55 HG22 ILE 55 1.197 0.011 2.150 199 HG23 ILE 55 HG23 ILE 55 0.398 0.839 3.517 200 HD11 ILE 55 HD11 ILE 55 1.994 -2.258 2.168 201 HD12 ILE 55 HD12 ILE 55 1.209 -3.702 1.482 202 HD13 ILE 55 HD13 ILE 55 0.843 -2.027 0.822 203 H TYR 56 H TYR 56 -1.895 -3.511 4.236 204 HA TYR 56 HA TYR 56 -4.468 -3.552 3.103 205 HB2 TYR 56 HB2 TYR 56 -2.761 -5.378 3.571 206 HB3 TYR 56 HB3 TYR 56 -3.344 -5.426 5.219 207 HD1 TYR 56 HD2 TYR 56 -4.272 -5.811 1.669 208 HD2 TYR 56 HD1 TYR 56 -5.386 -6.614 5.734 209 HE1 TYR 56 HE2 TYR 56 -5.770 -7.592 0.881 210 HE2 TYR 56 HE1 TYR 56 -6.991 -8.403 4.938 211 HH TYR 56 HH TYR 56 -7.842 -9.580 3.058 212 H ALA 57 H ALA 57 -3.439 -3.131 6.442 213 HA ALA 57 HA ALA 57 -5.926 -3.374 7.755 214 HB1 ALA 57 HB1 ALA 57 -3.911 -1.281 8.535 215 HB2 ALA 57 HB2 ALA 57 -4.839 -2.397 9.558 216 HB3 ALA 57 HB3 ALA 57 -3.462 -3.036 8.598 217 H GLN 58 H GLN 58 -4.899 -0.699 5.573 218 HA GLN 58 HA GLN 58 -7.162 0.901 6.626 219 HB2 GLN 58 HB2 GLN 58 -4.763 1.512 4.896 220 HB3 GLN 58 HB3 GLN 58 -6.156 2.586 4.980 221 HG2 GLN 58 HG2 GLN 58 -5.476 3.538 6.822 222 HG3 GLN 58 HG3 GLN 58 -5.489 1.997 7.678 223 HE21 GLN 58 HE22 GLN 58 -3.495 0.592 7.371 224 HE22 GLN 58 HE21 GLN 58 -2.040 1.455 7.577 225 H ILE 59 H ILE 59 -6.931 -1.564 4.435 226 HA ILE 59 HA ILE 59 -8.658 -0.447 2.311 227 HB ILE 59 HB ILE 59 -7.108 -3.015 2.591 228 HG12 ILE 59 HG12 ILE 59 -6.587 -0.431 1.042 229 HG13 ILE 59 HG13 ILE 59 -5.680 -1.003 2.449 230 HG21 ILE 59 HG21 ILE 59 -8.314 -1.932 0.053 231 HG22 ILE 59 HG22 ILE 59 -7.621 -3.538 0.363 232 HG23 ILE 59 HG23 ILE 59 -9.174 -3.116 1.075 233 HD11 ILE 59 HD11 ILE 59 -5.726 -2.232 -0.298 234 HD12 ILE 59 HD12 ILE 59 -4.359 -1.531 0.607 235 HD13 ILE 59 HD13 ILE 59 -5.100 -3.057 1.153 236 HA PRO 60 HA PRO 60 -11.744 -2.575 4.995 237 HB2 PRO 60 HB2 PRO 60 -13.984 -1.143 4.406 238 HB3 PRO 60 HB3 PRO 60 -12.624 -0.440 5.344 239 HG2 PRO 60 HG2 PRO 60 -13.136 -0.188 2.353 240 HG3 PRO 60 HG3 PRO 60 -12.849 1.128 3.533 241 HD2 PRO 60 HD2 PRO 60 -10.836 0.082 2.016 242 HD3 PRO 60 HD3 PRO 60 -10.565 0.590 3.710 243 H GLN 61 H GLN 61 -13.781 -3.812 4.757 244 HA GLN 61 HA GLN 61 -13.966 -5.452 2.460 245 HB2 GLN 61 HB2 GLN 61 -14.497 -6.013 4.836 246 HB3 GLN 61 HB3 GLN 61 -16.044 -5.171 4.646 247 HG2 GLN 61 HG2 GLN 61 -16.850 -6.765 3.101 248 HG3 GLN 61 HG3 GLN 61 -15.234 -7.240 2.592 249 HE21 GLN 61 HE22 GLN 61 -13.958 -8.096 4.898 250 HE22 GLN 61 HE21 GLN 61 -14.869 -9.485 5.450 251 H GLU 62 H GLU 62 -14.763 -2.301 2.351 252 HA GLU 62 HA GLU 62 -17.325 -2.365 0.917 253 HB2 GLU 62 HB2 GLU 62 -15.211 -0.187 1.178 254 HB3 GLU 62 HB3 GLU 62 -16.808 -0.001 0.445 255 HG2 GLU 62 HG2 GLU 62 -17.854 -0.610 2.629 256 HG3 GLU 62 HG3 GLU 62 -16.253 -0.698 3.366 257 H LEU 63 H LEU 63 -13.999 -2.818 0.129 258 HA LEU 63 HA LEU 63 -14.323 -2.251 -2.776 259 HB2 LEU 63 HB2 LEU 63 -11.892 -3.083 -1.131 260 HB3 LEU 63 HB3 LEU 63 -11.880 -2.480 -2.786 261 HG LEU 63 HG LEU 63 -12.697 -0.894 -0.302 262 HD11 LEU 63 HD11 LEU 63 -10.271 -0.771 -2.109 263 HD12 LEU 63 HD12 LEU 63 -10.648 0.366 -0.785 264 HD13 LEU 63 HD13 LEU 63 -10.352 -1.351 -0.426 265 HD21 LEU 63 HD21 LEU 63 -13.986 -0.171 -2.215 266 HD22 LEU 63 HD22 LEU 63 -12.717 1.031 -1.905 267 HD23 LEU 63 HD23 LEU 63 -12.529 -0.146 -3.233 268 H GLU 64 H GLU 64 -13.804 -4.872 -0.673 269 HA GLU 64 HA GLU 64 -14.213 -7.123 -0.778 270 HB2 GLU 64 HB2 GLU 64 -15.088 -6.757 -3.655 271 HB3 GLU 64 HB3 GLU 64 -15.424 -8.124 -2.601 272 HG2 GLU 64 HG2 GLU 64 -16.744 -6.735 -1.089 273 HG3 GLU 64 HG3 GLU 64 -16.405 -5.290 -2.042 274 H TRP 65 H TRP 65 -11.595 -5.959 -1.602 275 HA TRP 65 HA TRP 65 -10.397 -7.879 -3.458 276 HB2 TRP 65 HB2 TRP 65 -9.272 -5.610 -1.797 277 HB3 TRP 65 HB3 TRP 65 -8.427 -6.457 -3.075 278 HD1 TRP 65 HD1 TRP 65 -11.565 -6.162 -4.702 279 HE1 TRP 65 HE1 TRP 65 -11.911 -3.970 -5.951 280 HE3 TRP 65 HE3 TRP 65 -7.706 -3.495 -2.685 281 HZ2 TRP 65 HZ2 TRP 65 -10.636 -1.373 -6.117 282 HZ3 TRP 65 HZ3 TRP 65 -7.249 -1.197 -3.441 283 HH2 TRP 65 HH2 TRP 65 -8.737 -0.089 -5.125 284 H SER 66 H SER 66 -8.395 -9.012 -3.001 285 HA SER 66 HA SER 66 -8.166 -10.126 -0.226 286 HB2 SER 66 HB2 SER 66 -7.183 -11.129 -2.922 287 HB3 SER 66 HB3 SER 66 -6.846 -11.922 -1.384 288 HG SER 66 HG SER 66 -8.757 -12.473 -2.876 289 H LEU 67 H LEU 67 -5.852 -10.694 0.481 290 HA LEU 67 HA LEU 67 -4.035 -8.601 0.302 291 HB2 LEU 67 HB2 LEU 67 -4.297 -10.713 1.875 292 HB3 LEU 67 HB3 LEU 67 -3.145 -11.436 0.769 293 HG LEU 67 HG LEU 67 -1.914 -10.619 2.634 294 HD11 LEU 67 HD11 LEU 67 -1.719 -8.397 0.607 295 HD12 LEU 67 HD12 LEU 67 -0.422 -9.010 1.673 296 HD13 LEU 67 HD13 LEU 67 -1.024 -10.033 0.339 297 HD21 LEU 67 HD21 LEU 67 -3.653 -8.893 3.429 298 HD22 LEU 67 HD22 LEU 67 -1.973 -8.361 3.540 299 HD23 LEU 67 HD23 LEU 67 -2.981 -7.795 2.213 300 H ALA 68 H ALA 68 -4.293 -11.401 -1.891 301 HA ALA 68 HA ALA 68 -1.988 -10.951 -3.481 302 HB1 ALA 68 HB1 ALA 68 -4.788 -11.858 -4.353 303 HB2 ALA 68 HB2 ALA 68 -3.268 -12.096 -5.246 304 HB3 ALA 68 HB3 ALA 68 -3.507 -12.902 -3.689 305 H THR 69 H THR 69 -5.219 -9.314 -3.653 306 HA THR 69 HA THR 69 -4.744 -7.729 -5.918 307 HB THR 69 HB THR 69 -6.420 -6.938 -3.535 308 HG1 THR 69 HG1 THR 69 -7.940 -7.952 -5.351 309 HG21 THR 69 HG21 THR 69 -6.321 -6.088 -6.437 310 HG22 THR 69 HG22 THR 69 -7.797 -5.889 -5.467 311 HG23 THR 69 HG23 THR 69 -6.313 -5.082 -4.973 312 H VAL 70 H VAL 70 -4.305 -6.666 -2.359 313 HA VAL 70 HA VAL 70 -3.457 -4.191 -3.203 314 HB VAL 70 HB VAL 70 -4.092 -4.683 -0.874 315 HG11 VAL 70 HG11 VAL 70 -1.382 -6.079 -0.686 316 HG12 VAL 70 HG12 VAL 70 -2.348 -5.553 0.704 317 HG13 VAL 70 HG13 VAL 70 -2.993 -6.758 -0.405 318 HG21 VAL 70 HG21 VAL 70 -2.744 -2.701 -1.519 319 HG22 VAL 70 HG22 VAL 70 -2.473 -3.217 0.166 320 HG23 VAL 70 HG23 VAL 70 -1.270 -3.612 -1.099 321 H LYS 71 H LYS 71 -1.376 -7.055 -2.798 322 HA LYS 71 HA LYS 71 1.165 -5.854 -3.291 323 HB2 LYS 71 HB2 LYS 71 -0.128 -8.584 -3.449 324 HB3 LYS 71 HB3 LYS 71 1.368 -8.291 -4.627 325 HG2 LYS 71 HG2 LYS 71 2.016 -9.332 -2.758 326 HG3 LYS 71 HG3 LYS 71 2.609 -7.761 -2.457 327 HD2 LYS 71 HD2 LYS 71 -0.093 -8.218 -1.427 328 HD3 LYS 71 HD3 LYS 71 1.052 -9.379 -0.759 329 HE2 LYS 71 HE2 LYS 71 0.674 -7.389 0.515 330 HE3 LYS 71 HE3 LYS 71 2.429 -7.729 0.104 331 HZ1 LYS 71 HZ1 LYS 71 0.713 -5.689 -1.236 332 HZ2 LYS 71 HZ2 LYS 71 1.746 -5.314 0.005 333 HZ3 LYS 71 HZ3 LYS 71 2.320 -5.922 -1.399 334 H THR 72 H THR 72 -1.124 -7.145 -5.703 335 HA THR 72 HA THR 72 0.564 -6.261 -7.900 336 HB THR 72 HB THR 72 -0.936 -8.054 -8.282 337 HG1 THR 72 HG1 THR 72 -1.558 -5.770 -9.841 338 HG21 THR 72 HG21 THR 72 -3.177 -6.032 -7.918 339 HG22 THR 72 HG22 THR 72 -3.359 -7.637 -8.698 340 HG23 THR 72 HG23 THR 72 -2.858 -7.519 -7.004 341 H LEU 73 H LEU 73 -2.100 -4.589 -6.146 342 HA LEU 73 HA LEU 73 -2.319 -2.490 -8.043 343 HB2 LEU 73 HB2 LEU 73 -3.860 -3.512 -6.133 344 HB3 LEU 73 HB3 LEU 73 -3.027 -2.370 -5.089 345 HG LEU 73 HG LEU 73 -4.793 -1.840 -7.509 346 HD11 LEU 73 HD11 LEU 73 -4.933 -1.028 -4.578 347 HD12 LEU 73 HD12 LEU 73 -6.184 -0.756 -5.818 348 HD13 LEU 73 HD13 LEU 73 -5.787 -2.413 -5.288 349 HD21 LEU 73 HD21 LEU 73 -3.009 -0.254 -7.676 350 HD22 LEU 73 HD22 LEU 73 -4.425 0.596 -7.003 351 HD23 LEU 73 HD23 LEU 73 -3.056 0.063 -5.936 352 H LEU 74 H LEU 74 -0.558 -2.801 -4.906 353 HA LEU 74 HA LEU 74 0.681 -0.253 -4.736 354 HB2 LEU 74 HB2 LEU 74 1.783 -3.037 -4.192 355 HB3 LEU 74 HB3 LEU 74 2.648 -1.559 -3.768 356 HG LEU 74 HG LEU 74 -0.071 -2.365 -2.714 357 HD11 LEU 74 HD11 LEU 74 2.321 -2.006 -0.994 358 HD12 LEU 74 HD12 LEU 74 1.048 -3.258 -0.941 359 HD13 LEU 74 HD13 LEU 74 2.411 -3.397 -2.085 360 HD21 LEU 74 HD21 LEU 74 -0.062 -0.066 -2.768 361 HD22 LEU 74 HD22 LEU 74 0.451 -0.473 -1.087 362 HD23 LEU 74 HD23 LEU 74 1.649 0.053 -2.333 363 H GLY 75 H GLY 75 1.667 -3.071 -6.390 364 HA2 GLY 75 HA2 GLY 75 4.122 -2.287 -7.593 365 HA3 GLY 75 HA3 GLY 75 2.978 -3.434 -8.322 366 H ARG 76 H ARG 76 0.859 -1.356 -8.444 367 HA ARG 76 HA ARG 76 1.587 -0.244 -11.147 368 HB2 ARG 76 HB2 ARG 76 -1.021 -0.209 -9.615 369 HB3 ARG 76 HB3 ARG 76 -0.812 0.452 -11.219 370 HG2 ARG 76 HG2 ARG 76 -0.189 -2.487 -10.838 371 HG3 ARG 76 HG3 ARG 76 -1.859 -1.961 -10.782 372 HD2 ARG 76 HD2 ARG 76 -1.464 -0.798 -13.046 373 HD3 ARG 76 HD3 ARG 76 0.085 -1.659 -13.101 374 HE ARG 76 HE ARG 76 -2.162 -3.421 -12.574 375 HH11 ARG 76 HH11 ARG 76 -0.546 -1.884 -15.300 376 HH12 ARG 76 HH12 ARG 76 -1.054 -3.162 -16.402 377 HH21 ARG 76 HH21 ARG 76 -3.030 -4.742 -14.119 378 HH22 ARG 76 HH22 ARG 76 -2.418 -4.717 -15.719 379 H LEU 77 H LEU 77 0.713 0.755 -7.799 380 HA LEU 77 HA LEU 77 0.768 3.584 -8.303 381 HB2 LEU 77 HB2 LEU 77 1.789 2.217 -5.784 382 HB3 LEU 77 HB3 LEU 77 1.049 3.784 -5.913 383 HG LEU 77 HG LEU 77 -0.308 1.124 -6.119 384 HD11 LEU 77 HD11 LEU 77 -0.568 3.354 -4.131 385 HD12 LEU 77 HD12 LEU 77 -1.326 1.735 -4.075 386 HD13 LEU 77 HD13 LEU 77 0.447 1.905 -3.964 387 HD21 LEU 77 HD21 LEU 77 -1.346 2.487 -7.726 388 HD22 LEU 77 HD22 LEU 77 -2.407 2.447 -6.307 389 HD23 LEU 77 HD23 LEU 77 -1.389 3.892 -6.613 390 H VAL 78 H VAL 78 3.171 1.389 -7.118 391 HA VAL 78 HA VAL 78 5.279 3.360 -7.102 392 HB VAL 78 HB VAL 78 6.479 2.117 -5.859 393 HG11 VAL 78 HG11 VAL 78 4.668 -0.302 -6.015 394 HG12 VAL 78 HG12 VAL 78 5.721 0.202 -4.687 395 HG13 VAL 78 HG13 VAL 78 4.256 1.130 -5.049 396 HG21 VAL 78 HG21 VAL 78 7.581 1.012 -7.765 397 HG22 VAL 78 HG22 VAL 78 7.493 0.028 -6.306 398 HG23 VAL 78 HG23 VAL 78 6.363 -0.294 -7.670 399 H LYS 79 H LYS 79 4.540 0.939 -9.610 400 HA LYS 79 HA LYS 79 6.551 1.880 -11.439 401 HB2 LYS 79 HB2 LYS 79 3.928 0.349 -11.813 402 HB3 LYS 79 HB3 LYS 79 4.946 0.759 -13.159 403 HG2 LYS 79 HG2 LYS 79 5.658 -1.091 -10.868 404 HG3 LYS 79 HG3 LYS 79 5.491 -1.473 -12.574 405 HD2 LYS 79 HD2 LYS 79 7.631 0.202 -11.194 406 HD3 LYS 79 HD3 LYS 79 7.854 -1.441 -11.800 407 HE2 LYS 79 HE2 LYS 79 6.814 0.687 -13.652 408 HE3 LYS 79 HE3 LYS 79 8.539 0.681 -13.289 409 HZ1 LYS 79 HZ1 LYS 79 7.332 -1.861 -14.129 410 HZ2 LYS 79 HZ2 LYS 79 7.563 -0.735 -15.281 411 HZ3 LYS 79 HZ3 LYS 79 8.859 -1.245 -14.387 412 H LYS 80 H LYS 80 4.090 3.609 -10.328 413 HA LYS 80 HA LYS 80 4.203 5.457 -12.657 414 HB2 LYS 80 HB2 LYS 80 2.073 3.809 -12.397 415 HB3 LYS 80 HB3 LYS 80 1.513 5.165 -11.398 416 HG2 LYS 80 HG2 LYS 80 2.123 6.681 -13.397 417 HG3 LYS 80 HG3 LYS 80 2.539 5.217 -14.289 418 HD2 LYS 80 HD2 LYS 80 0.400 5.785 -15.023 419 HD3 LYS 80 HD3 LYS 80 0.123 4.432 -13.915 420 HE2 LYS 80 HE2 LYS 80 -0.638 5.931 -12.160 421 HE3 LYS 80 HE3 LYS 80 0.015 7.335 -13.003 422 HZ1 LYS 80 HZ1 LYS 80 -2.347 5.758 -13.902 423 HZ2 LYS 80 HZ2 LYS 80 -2.312 7.284 -13.307 424 HZ3 LYS 80 HZ3 LYS 80 -1.616 6.970 -14.769 425 H GLU 81 H GLU 81 5.476 5.640 -10.151 426 HA GLU 81 HA GLU 81 6.172 7.262 -8.695 427 HB2 GLU 81 HB2 GLU 81 5.061 8.992 -10.928 428 HB3 GLU 81 HB3 GLU 81 6.203 9.533 -9.687 429 HG2 GLU 81 HG2 GLU 81 7.883 7.934 -10.420 430 HG3 GLU 81 HG3 GLU 81 6.766 7.176 -11.544 431 H MET 82 H MET 82 3.322 6.363 -8.256 432 HA MET 82 HA MET 82 2.043 8.589 -6.839 433 HB2 MET 82 HB2 MET 82 1.642 5.617 -6.574 434 HB3 MET 82 HB3 MET 82 0.492 6.837 -6.047 435 HG2 MET 82 HG2 MET 82 1.333 6.384 -8.927 436 HG3 MET 82 HG3 MET 82 -0.008 5.547 -8.187 437 HE1 MET 82 HE1 MET 82 -1.910 7.065 -6.770 438 HE2 MET 82 HE2 MET 82 -2.871 8.010 -7.933 439 HE3 MET 82 HE3 MET 82 -2.437 6.322 -8.297 440 H LEU 83 H LEU 83 4.060 5.813 -5.922 441 HA LEU 83 HA LEU 83 5.148 7.198 -3.682 442 HB2 LEU 83 HB2 LEU 83 4.410 6.175 -1.801 443 HB3 LEU 83 HB3 LEU 83 2.935 6.237 -2.717 444 HG LEU 83 HG LEU 83 4.691 3.800 -2.190 445 HD11 LEU 83 HD11 LEU 83 1.814 4.463 -1.440 446 HD12 LEU 83 HD12 LEU 83 2.680 2.959 -1.066 447 HD13 LEU 83 HD13 LEU 83 3.214 4.486 -0.349 448 HD21 LEU 83 HD21 LEU 83 3.856 3.583 -4.451 449 HD22 LEU 83 HD22 LEU 83 2.953 2.500 -3.386 450 HD23 LEU 83 HD23 LEU 83 2.213 4.033 -3.917 451 H SER 84 H SER 84 6.597 5.433 -2.313 452 HA SER 84 HA SER 84 7.830 3.516 -4.229 453 HB2 SER 84 HB2 SER 84 9.388 5.614 -2.686 454 HB3 SER 84 HB3 SER 84 10.087 4.139 -3.309 455 HG SER 84 HG SER 84 10.348 5.847 -4.774 456 H THR 85 H THR 85 9.487 2.134 -3.046 457 HA THR 85 HA THR 85 8.728 1.596 -0.230 458 HB THR 85 HB THR 85 7.118 0.421 -1.528 459 HG1 THR 85 HG1 THR 85 8.204 -0.706 0.226 460 HG21 THR 85 HG21 THR 85 9.331 -0.993 -3.021 461 HG22 THR 85 HG22 THR 85 7.574 -1.237 -3.207 462 HG23 THR 85 HG23 THR 85 8.291 0.302 -3.696 463 H GLU 86 H GLU 86 10.111 0.462 0.950 464 HA GLU 86 HA GLU 86 12.644 -0.576 -0.211 465 HB2 GLU 86 HB2 GLU 86 12.577 0.914 2.437 466 HB3 GLU 86 HB3 GLU 86 13.964 0.154 1.668 467 HG2 GLU 86 HG2 GLU 86 13.511 1.780 -0.321 468 HG3 GLU 86 HG3 GLU 86 12.582 2.712 0.847 469 H LYS 87 H LYS 87 13.760 -1.952 1.750 470 HA LYS 87 HA LYS 87 11.703 -3.935 2.518 471 HB2 LYS 87 HB2 LYS 87 13.429 -4.220 0.630 472 HB3 LYS 87 HB3 LYS 87 14.661 -4.335 1.903 473 HG2 LYS 87 HG2 LYS 87 13.406 -6.246 2.903 474 HG3 LYS 87 HG3 LYS 87 12.144 -6.016 1.670 475 HD2 LYS 87 HD2 LYS 87 14.160 -6.293 -0.041 476 HD3 LYS 87 HD3 LYS 87 14.966 -7.078 1.340 477 HE2 LYS 87 HE2 LYS 87 12.134 -7.641 0.439 478 HE3 LYS 87 HE3 LYS 87 13.520 -8.552 -0.234 479 HZ1 LYS 87 HZ1 LYS 87 12.750 -8.439 2.622 480 HZ2 LYS 87 HZ2 LYS 87 12.506 -9.726 1.631 481 HZ3 LYS 87 HZ3 LYS 87 14.045 -9.274 2.023 482 H GLU 88 H GLU 88 11.549 -4.684 4.526 483 HA GLU 88 HA GLU 88 13.677 -4.569 6.550 484 HB2 GLU 88 HB2 GLU 88 11.756 -2.397 6.300 485 HB3 GLU 88 HB3 GLU 88 11.456 -3.231 7.811 486 HG2 GLU 88 HG2 GLU 88 14.283 -2.438 7.016 487 HG3 GLU 88 HG3 GLU 88 13.135 -1.293 7.657 488 H GLY 89 H GLY 89 12.859 -5.508 8.712 489 HA2 GLY 89 HA2 GLY 89 11.964 -7.377 9.787 490 HA3 GLY 89 HA3 GLY 89 10.465 -6.560 9.329 491 H ARG 90 H ARG 90 12.674 -8.271 7.155 492 HA ARG 90 HA ARG 90 12.291 -9.663 5.428 493 HB2 ARG 90 HB2 ARG 90 12.564 -11.159 7.445 494 HB3 ARG 90 HB3 ARG 90 10.827 -11.476 7.367 495 HG2 ARG 90 HG2 ARG 90 11.032 -12.612 5.292 496 HG3 ARG 90 HG3 ARG 90 12.547 -11.802 4.886 497 HD2 ARG 90 HD2 ARG 90 13.695 -13.089 6.677 498 HD3 ARG 90 HD3 ARG 90 12.186 -13.981 6.994 499 HE ARG 90 HE ARG 90 12.723 -14.161 4.226 500 HH11 ARG 90 HH11 ARG 90 14.468 -15.246 7.079 501 HH12 ARG 90 HH12 ARG 90 15.285 -16.517 6.200 502 HH21 ARG 90 HH21 ARG 90 13.845 -15.695 3.161 503 HH22 ARG 90 HH22 ARG 90 14.851 -16.798 4.055 504 H LYS 91 H LYS 91 10.546 -7.618 5.605 505 HA LYS 91 HA LYS 91 8.171 -8.288 3.952 506 HB2 LYS 91 HB2 LYS 91 8.418 -6.670 6.512 507 HB3 LYS 91 HB3 LYS 91 7.063 -6.430 5.419 508 HG2 LYS 91 HG2 LYS 91 6.192 -8.578 5.714 509 HG3 LYS 91 HG3 LYS 91 7.696 -9.183 6.447 510 HD2 LYS 91 HD2 LYS 91 7.324 -7.362 8.250 511 HD3 LYS 91 HD3 LYS 91 5.676 -7.254 7.606 512 HE2 LYS 91 HE2 LYS 91 5.851 -8.717 9.621 513 HE3 LYS 91 HE3 LYS 91 5.292 -9.634 8.214 514 HZ1 LYS 91 HZ1 LYS 91 8.173 -9.571 8.883 515 HZ2 LYS 91 HZ2 LYS 91 7.147 -10.607 9.670 516 HZ3 LYS 91 HZ3 LYS 91 7.313 -10.676 8.019 517 H PHE 92 H PHE 92 7.227 -5.942 3.548 518 HA PHE 92 HA PHE 92 9.365 -4.145 2.441 519 HB2 PHE 92 HB2 PHE 92 6.542 -4.678 1.497 520 HB3 PHE 92 HB3 PHE 92 7.449 -3.238 1.048 521 HD1 PHE 92 HD2 PHE 92 9.517 -3.366 -0.201 522 HD2 PHE 92 HD1 PHE 92 7.191 -6.856 0.699 523 HE1 PHE 92 HE2 PHE 92 10.774 -4.590 -1.918 524 HE2 PHE 92 HE1 PHE 92 8.476 -8.153 -1.046 525 HZ PHE 92 HZ PHE 92 10.266 -7.016 -2.360 526 H VAL 93 H VAL 93 9.091 -1.992 2.686 527 HA VAL 93 HA VAL 93 6.973 -0.902 4.469 528 HB VAL 93 HB VAL 93 9.888 -0.058 4.259 529 HG11 VAL 93 HG11 VAL 93 7.560 1.396 5.615 530 HG12 VAL 93 HG12 VAL 93 9.275 1.816 5.783 531 HG13 VAL 93 HG13 VAL 93 8.481 1.977 4.204 532 HG21 VAL 93 HG21 VAL 93 9.392 -1.859 5.905 533 HG22 VAL 93 HG22 VAL 93 9.852 -0.353 6.709 534 HG23 VAL 93 HG23 VAL 93 8.142 -0.835 6.646 535 H TYR 94 H TYR 94 5.851 0.676 3.565 536 HA TYR 94 HA TYR 94 6.473 1.605 0.802 537 HB2 TYR 94 HB2 TYR 94 3.876 0.995 2.276 538 HB3 TYR 94 HB3 TYR 94 3.968 1.665 0.660 539 HD1 TYR 94 HD1 TYR 94 4.924 0.357 -1.215 540 HD2 TYR 94 HD2 TYR 94 4.318 -1.488 2.659 541 HE1 TYR 94 HE1 TYR 94 5.185 -1.902 -2.226 542 HE2 TYR 94 HE2 TYR 94 4.371 -3.703 1.593 543 HH TYR 94 HH TYR 94 5.239 -4.176 -1.816 544 H ARG 95 H ARG 95 7.091 3.639 0.737 545 HA ARG 95 HA ARG 95 6.098 5.627 2.734 546 HB2 ARG 95 HB2 ARG 95 8.914 5.353 1.597 547 HB3 ARG 95 HB3 ARG 95 8.331 6.786 2.432 548 HG2 ARG 95 HG2 ARG 95 7.632 4.976 4.279 549 HG3 ARG 95 HG3 ARG 95 8.947 4.074 3.530 550 HD2 ARG 95 HD2 ARG 95 9.853 5.261 5.408 551 HD3 ARG 95 HD3 ARG 95 10.459 6.052 3.952 552 HE ARG 95 HE ARG 95 8.124 7.439 4.626 553 HH11 ARG 95 HH11 ARG 95 10.504 6.617 6.996 554 HH12 ARG 95 HH12 ARG 95 10.872 8.258 7.390 555 HH21 ARG 95 HH21 ARG 95 8.488 9.556 5.260 556 HH22 ARG 95 HH22 ARG 95 9.610 9.864 6.552 557 HA PRO 96 HA PRO 96 5.180 8.341 -0.716 558 HB2 PRO 96 HB2 PRO 96 4.877 10.709 0.574 559 HB3 PRO 96 HB3 PRO 96 3.706 9.367 0.782 560 HG2 PRO 96 HG2 PRO 96 6.032 10.114 2.586 561 HG3 PRO 96 HG3 PRO 96 4.332 9.782 3.052 562 HD2 PRO 96 HD2 PRO 96 6.323 7.898 3.159 563 HD3 PRO 96 HD3 PRO 96 4.624 7.465 2.808 564 H LEU 97 H LEU 97 6.069 10.116 -1.795 565 HA LEU 97 HA LEU 97 8.927 10.731 -1.394 566 HB2 LEU 97 HB2 LEU 97 9.359 10.290 -3.661 567 HB3 LEU 97 HB3 LEU 97 8.949 8.963 -2.584 568 HG LEU 97 HG LEU 97 6.605 8.978 -3.482 569 HD11 LEU 97 HD11 LEU 97 7.967 10.738 -5.559 570 HD12 LEU 97 HD12 LEU 97 6.338 10.020 -5.729 571 HD13 LEU 97 HD13 LEU 97 6.673 11.223 -4.458 572 HD21 LEU 97 HD21 LEU 97 8.292 7.384 -3.862 573 HD22 LEU 97 HD22 LEU 97 7.374 7.630 -5.376 574 HD23 LEU 97 HD23 LEU 97 9.005 8.354 -5.158 575 H MET 98 H MET 98 9.532 12.423 -3.308 576 HA MET 98 HA MET 98 7.660 14.728 -3.035 577 HB2 MET 98 HB2 MET 98 9.193 14.711 -1.119 578 HB3 MET 98 HB3 MET 98 10.582 14.581 -2.208 579 HG2 MET 98 HG2 MET 98 10.058 16.819 -3.142 580 HG3 MET 98 HG3 MET 98 8.640 16.923 -2.092 581 HE1 MET 98 HE1 MET 98 12.541 16.911 -2.370 582 HE2 MET 98 HE2 MET 98 13.073 17.148 -0.692 583 HE3 MET 98 HE3 MET 98 12.374 15.595 -1.184 584 H GLU 99 H GLU 99 7.566 16.031 -4.630 585 HA GLU 99 HA GLU 99 9.718 16.638 -6.529 586 HB2 GLU 99 HB2 GLU 99 6.932 15.687 -7.295 587 HB3 GLU 99 HB3 GLU 99 7.807 16.856 -8.279 588 HG2 GLU 99 HG2 GLU 99 9.712 15.240 -8.472 589 HG3 GLU 99 HG3 GLU 99 8.699 14.021 -7.685 Start of MODEL 13 1 H PHE 31 H1 PHE 31 -17.813 8.908 -20.716 2 HA PHE 31 HA PHE 31 -18.361 9.101 -17.838 3 HB2 PHE 31 HB2 PHE 31 -18.071 6.653 -19.623 4 HB3 PHE 31 HB3 PHE 31 -18.304 6.623 -17.875 5 HD1 PHE 31 HD2 PHE 31 -20.414 7.774 -16.891 6 HD2 PHE 31 HD1 PHE 31 -19.998 6.669 -21.051 7 HE1 PHE 31 HE2 PHE 31 -22.867 7.939 -17.187 8 HE2 PHE 31 HE1 PHE 31 -22.457 6.847 -21.332 9 HZ PHE 31 HZ PHE 31 -23.888 7.484 -19.406 10 H ASN 32 H ASN 32 -16.555 7.156 -16.952 11 HA ASN 32 HA ASN 32 -13.909 7.831 -18.010 12 HB2 ASN 32 HB2 ASN 32 -14.893 9.468 -16.011 13 HB3 ASN 32 HB3 ASN 32 -14.162 8.201 -15.043 14 HD21 ASN 32 HD22 ASN 32 -11.710 7.774 -15.573 15 HD22 ASN 32 HD21 ASN 32 -10.851 9.211 -16.095 16 H VAL 33 H VAL 33 -12.356 6.238 -17.292 17 HA VAL 33 HA VAL 33 -13.193 4.068 -15.459 18 HB VAL 33 HB VAL 33 -14.049 3.349 -17.648 19 HG11 VAL 33 HG11 VAL 33 -11.146 3.331 -18.587 20 HG12 VAL 33 HG12 VAL 33 -12.543 2.681 -19.461 21 HG13 VAL 33 HG13 VAL 33 -12.433 4.417 -19.167 22 HG21 VAL 33 HG21 VAL 33 -13.301 1.672 -15.984 23 HG22 VAL 33 HG22 VAL 33 -13.174 1.107 -17.654 24 HG23 VAL 33 HG23 VAL 33 -11.712 1.607 -16.776 25 H SER 34 H SER 34 -10.636 5.691 -17.277 26 HA SER 34 HA SER 34 -8.439 4.273 -16.114 27 HB2 SER 34 HB2 SER 34 -8.610 7.072 -17.280 28 HB3 SER 34 HB3 SER 34 -7.108 6.208 -16.888 29 HG SER 34 HG SER 34 -7.922 6.083 -19.112 30 H ASN 35 H ASN 35 -8.534 4.071 -14.035 31 HA ASN 35 HA ASN 35 -6.938 5.030 -12.331 32 HB2 ASN 35 HB2 ASN 35 -7.674 7.381 -12.374 33 HB3 ASN 35 HB3 ASN 35 -9.284 6.882 -11.797 34 HD21 ASN 35 HD22 ASN 35 -9.195 7.854 -9.689 35 HD22 ASN 35 HD21 ASN 35 -8.081 7.177 -8.497 36 H ALA 36 H ALA 36 -6.930 3.604 -10.646 37 HA ALA 36 HA ALA 36 -9.022 1.590 -10.690 38 HB1 ALA 36 HB1 ALA 36 -6.489 1.861 -8.995 39 HB2 ALA 36 HB2 ALA 36 -7.516 0.420 -9.082 40 HB3 ALA 36 HB3 ALA 36 -6.647 0.969 -10.533 41 H GLU 37 H GLU 37 -8.199 4.164 -8.433 42 HA GLU 37 HA GLU 37 -10.476 3.962 -6.740 43 HB2 GLU 37 HB2 GLU 37 -8.439 1.988 -6.199 44 HB3 GLU 37 HB3 GLU 37 -8.278 3.195 -4.961 45 HG2 GLU 37 HG2 GLU 37 -10.842 1.699 -5.695 46 HG3 GLU 37 HG3 GLU 37 -9.812 1.390 -4.289 47 H LEU 38 H LEU 38 -9.742 5.213 -4.511 48 HA LEU 38 HA LEU 38 -7.677 7.279 -5.128 49 HB2 LEU 38 HB2 LEU 38 -10.475 7.901 -4.099 50 HB3 LEU 38 HB3 LEU 38 -9.113 9.010 -4.146 51 HG LEU 38 HG LEU 38 -9.091 8.427 -6.751 52 HD11 LEU 38 HD11 LEU 38 -12.021 7.996 -5.969 53 HD12 LEU 38 HD12 LEU 38 -11.416 8.241 -7.620 54 HD13 LEU 38 HD13 LEU 38 -10.970 6.792 -6.725 55 HD21 LEU 38 HD21 LEU 38 -9.406 10.664 -5.804 56 HD22 LEU 38 HD22 LEU 38 -10.539 10.387 -7.130 57 HD23 LEU 38 HD23 LEU 38 -11.110 10.296 -5.448 58 H ILE 39 H ILE 39 -9.496 5.415 -2.647 59 HA ILE 39 HA ILE 39 -8.297 6.746 -0.394 60 HB ILE 39 HB ILE 39 -8.965 5.107 0.982 61 HG12 ILE 39 HG12 ILE 39 -10.444 3.356 -0.928 62 HG13 ILE 39 HG13 ILE 39 -8.691 3.133 -0.948 63 HG21 ILE 39 HG21 ILE 39 -11.148 5.697 -1.042 64 HG22 ILE 39 HG22 ILE 39 -11.388 5.204 0.637 65 HG23 ILE 39 HG23 ILE 39 -10.612 6.760 0.279 66 HD11 ILE 39 HD11 ILE 39 -10.410 3.190 1.543 67 HD12 ILE 39 HD12 ILE 39 -9.760 1.713 0.771 68 HD13 ILE 39 HD13 ILE 39 -8.653 2.936 1.478 69 H VAL 40 H VAL 40 -7.175 3.905 -2.236 70 HA VAL 40 HA VAL 40 -4.856 3.393 -0.647 71 HB VAL 40 HB VAL 40 -3.980 2.122 -2.468 72 HG11 VAL 40 HG11 VAL 40 -7.010 1.800 -2.553 73 HG12 VAL 40 HG12 VAL 40 -5.764 0.564 -2.806 74 HG13 VAL 40 HG13 VAL 40 -5.982 1.268 -1.198 75 HG21 VAL 40 HG21 VAL 40 -4.215 3.466 -4.446 76 HG22 VAL 40 HG22 VAL 40 -5.185 2.020 -4.695 77 HG23 VAL 40 HG23 VAL 40 -5.990 3.537 -4.270 78 H MET 41 H MET 41 -5.421 5.996 -2.836 79 HA MET 41 HA MET 41 -2.541 6.683 -2.984 80 HB2 MET 41 HB2 MET 41 -4.921 7.832 -4.497 81 HB3 MET 41 HB3 MET 41 -3.235 8.331 -4.668 82 HG2 MET 41 HG2 MET 41 -2.746 5.824 -5.152 83 HG3 MET 41 HG3 MET 41 -4.476 5.694 -5.458 84 HE1 MET 41 HE1 MET 41 -5.270 8.394 -6.910 85 HE2 MET 41 HE2 MET 41 -5.005 7.936 -8.604 86 HE3 MET 41 HE3 MET 41 -5.720 6.766 -7.477 87 H ARG 42 H ARG 42 -4.895 7.230 -0.713 88 HA ARG 42 HA ARG 42 -3.320 9.606 0.127 89 HB2 ARG 42 HB2 ARG 42 -5.799 10.030 -0.920 90 HB3 ARG 42 HB3 ARG 42 -6.224 9.818 0.784 91 HG2 ARG 42 HG2 ARG 42 -4.501 11.562 1.372 92 HG3 ARG 42 HG3 ARG 42 -4.123 11.727 -0.355 93 HD2 ARG 42 HD2 ARG 42 -6.567 12.348 -0.722 94 HD3 ARG 42 HD3 ARG 42 -6.739 12.445 1.029 95 HE ARG 42 HE ARG 42 -5.440 14.349 -0.758 96 HH11 ARG 42 HH11 ARG 42 -5.273 13.271 2.557 97 HH12 ARG 42 HH12 ARG 42 -4.680 14.825 3.124 98 HH21 ARG 42 HH21 ARG 42 -4.850 16.275 0.028 99 HH22 ARG 42 HH22 ARG 42 -3.984 16.333 1.553 100 H VAL 43 H VAL 43 -4.959 6.726 1.165 101 HA VAL 43 HA VAL 43 -4.862 7.049 3.978 102 HB VAL 43 HB VAL 43 -5.889 5.091 3.262 103 HG11 VAL 43 HG11 VAL 43 -3.799 3.406 2.099 104 HG12 VAL 43 HG12 VAL 43 -5.418 3.782 1.543 105 HG13 VAL 43 HG13 VAL 43 -4.060 4.842 1.113 106 HG21 VAL 43 HG21 VAL 43 -4.481 4.654 5.283 107 HG22 VAL 43 HG22 VAL 43 -4.721 3.196 4.298 108 HG23 VAL 43 HG23 VAL 43 -3.182 4.033 4.233 109 H ILE 44 H ILE 44 -2.327 5.493 2.008 110 HA ILE 44 HA ILE 44 -0.599 5.009 4.130 111 HB ILE 44 HB ILE 44 0.209 5.491 1.225 112 HG12 ILE 44 HG12 ILE 44 -0.947 2.973 2.511 113 HG13 ILE 44 HG13 ILE 44 -1.775 4.008 1.375 114 HG21 ILE 44 HG21 ILE 44 1.387 3.832 3.490 115 HG22 ILE 44 HG22 ILE 44 1.999 3.813 1.816 116 HG23 ILE 44 HG23 ILE 44 2.083 5.289 2.784 117 HD11 ILE 44 HD11 ILE 44 0.685 2.442 0.623 118 HD12 ILE 44 HD12 ILE 44 -1.004 2.107 0.185 119 HD13 ILE 44 HD13 ILE 44 -0.224 3.589 -0.397 120 H TRP 45 H TRP 45 -0.786 7.735 2.066 121 HA TRP 45 HA TRP 45 1.634 9.141 2.524 122 HB2 TRP 45 HB2 TRP 45 0.120 9.752 0.747 123 HB3 TRP 45 HB3 TRP 45 -1.207 10.019 1.875 124 HD1 TRP 45 HD1 TRP 45 -1.315 12.258 3.188 125 HE1 TRP 45 HE1 TRP 45 -0.062 14.472 3.109 126 HE3 TRP 45 HE3 TRP 45 2.426 10.899 -0.028 127 HZ2 TRP 45 HZ2 TRP 45 2.389 15.502 1.878 128 HZ3 TRP 45 HZ3 TRP 45 4.204 12.518 -0.640 129 HH2 TRP 45 HH2 TRP 45 4.205 14.807 0.324 130 H SER 46 H SER 46 -1.130 8.792 4.658 131 HA SER 46 HA SER 46 -0.626 11.388 6.010 132 HB2 SER 46 HB2 SER 46 -2.909 10.298 5.759 133 HB3 SER 46 HB3 SER 46 -2.408 9.158 7.048 134 HG SER 46 HG SER 46 -1.995 11.077 8.348 135 H LEU 47 H LEU 47 0.172 8.008 6.594 136 HA LEU 47 HA LEU 47 0.968 8.256 9.319 137 HB2 LEU 47 HB2 LEU 47 0.101 6.351 7.438 138 HB3 LEU 47 HB3 LEU 47 1.804 5.983 7.536 139 HG LEU 47 HG LEU 47 0.173 6.393 10.083 140 HD11 LEU 47 HD11 LEU 47 0.286 3.895 8.358 141 HD12 LEU 47 HD12 LEU 47 -0.418 4.003 9.999 142 HD13 LEU 47 HD13 LEU 47 -1.124 4.940 8.659 143 HD21 LEU 47 HD21 LEU 47 2.670 6.236 9.989 144 HD22 LEU 47 HD22 LEU 47 1.916 4.942 10.967 145 HD23 LEU 47 HD23 LEU 47 2.503 4.621 9.306 146 H GLY 48 H GLY 48 2.544 8.036 6.210 147 HA2 GLY 48 HA2 GLY 48 4.562 9.434 5.725 148 HA3 GLY 48 HA3 GLY 48 5.201 8.918 7.301 149 H GLU 49 H GLU 49 5.243 6.472 7.618 150 HA GLU 49 HA GLU 49 5.510 4.952 5.083 151 HB2 GLU 49 HB2 GLU 49 7.354 3.724 5.898 152 HB3 GLU 49 HB3 GLU 49 7.752 5.442 5.923 153 HG2 GLU 49 HG2 GLU 49 6.922 3.972 8.456 154 HG3 GLU 49 HG3 GLU 49 8.548 3.904 7.813 155 H ALA 50 H ALA 50 4.689 2.967 4.984 156 HA ALA 50 HA ALA 50 3.590 1.736 7.480 157 HB1 ALA 50 HB1 ALA 50 2.060 2.266 4.920 158 HB2 ALA 50 HB2 ALA 50 1.445 1.329 6.294 159 HB3 ALA 50 HB3 ALA 50 1.799 3.068 6.479 160 H ARG 51 H ARG 51 3.495 -0.489 7.462 161 HA ARG 51 HA ARG 51 5.236 -1.829 5.517 162 HB2 ARG 51 HB2 ARG 51 3.799 -3.038 7.897 163 HB3 ARG 51 HB3 ARG 51 5.110 -3.756 6.913 164 HG2 ARG 51 HG2 ARG 51 6.309 -1.386 7.626 165 HG3 ARG 51 HG3 ARG 51 5.240 -1.589 8.991 166 HD2 ARG 51 HD2 ARG 51 7.367 -3.490 7.954 167 HD3 ARG 51 HD3 ARG 51 7.382 -2.568 9.455 168 HE ARG 51 HE ARG 51 5.075 -4.407 9.184 169 HH11 ARG 51 HH11 ARG 51 8.213 -3.919 10.752 170 HH12 ARG 51 HH12 ARG 51 7.685 -4.847 12.136 171 HH21 ARG 51 HH21 ARG 51 4.467 -5.361 11.020 172 HH22 ARG 51 HH22 ARG 51 5.561 -5.535 12.329 173 H VAL 52 H VAL 52 4.577 -3.946 4.411 174 HA VAL 52 HA VAL 52 2.442 -3.403 2.756 175 HB VAL 52 HB VAL 52 3.301 -4.968 1.602 176 HG11 VAL 52 HG11 VAL 52 4.557 -6.055 4.138 177 HG12 VAL 52 HG12 VAL 52 4.988 -6.559 2.477 178 HG13 VAL 52 HG13 VAL 52 5.231 -4.862 2.995 179 HG21 VAL 52 HG21 VAL 52 1.420 -6.258 2.029 180 HG22 VAL 52 HG22 VAL 52 2.813 -7.333 1.924 181 HG23 VAL 52 HG23 VAL 52 2.109 -6.959 3.557 182 H ASP 53 H ASP 53 2.319 -5.340 5.608 183 HA ASP 53 HA ASP 53 -0.463 -6.186 5.141 184 HB2 ASP 53 HB2 ASP 53 0.794 -6.386 7.903 185 HB3 ASP 53 HB3 ASP 53 0.018 -7.723 6.716 186 H GLU 54 H GLU 54 1.035 -3.409 6.469 187 HA GLU 54 HA GLU 54 -1.044 -2.478 8.303 188 HB2 GLU 54 HB2 GLU 54 1.750 -2.065 7.732 189 HB3 GLU 54 HB3 GLU 54 0.969 -0.569 7.336 190 HG2 GLU 54 HG2 GLU 54 0.783 -2.141 9.968 191 HG3 GLU 54 HG3 GLU 54 1.916 -0.824 9.662 192 H ILE 55 H ILE 55 0.314 -1.624 5.095 193 HA ILE 55 HA ILE 55 -1.620 0.432 4.429 194 HB ILE 55 HB ILE 55 -1.025 -0.024 2.028 195 HG12 ILE 55 HG12 ILE 55 0.559 -2.221 3.363 196 HG13 ILE 55 HG13 ILE 55 -0.557 -2.372 1.997 197 HG21 ILE 55 HG21 ILE 55 1.401 0.138 3.850 198 HG22 ILE 55 HG22 ILE 55 1.174 0.829 2.207 199 HG23 ILE 55 HG23 ILE 55 0.262 1.468 3.603 200 HD11 ILE 55 HD11 ILE 55 2.283 -1.455 2.162 201 HD12 ILE 55 HD12 ILE 55 1.551 -2.705 1.117 202 HD13 ILE 55 HD13 ILE 55 1.311 -0.933 0.781 203 H TYR 56 H TYR 56 -1.672 -3.160 3.720 204 HA TYR 56 HA TYR 56 -4.292 -3.135 2.679 205 HB2 TYR 56 HB2 TYR 56 -2.593 -4.901 2.548 206 HB3 TYR 56 HB3 TYR 56 -2.733 -5.222 4.260 207 HD1 TYR 56 HD1 TYR 56 -5.008 -4.811 1.318 208 HD2 TYR 56 HD2 TYR 56 -4.018 -6.999 4.830 209 HE1 TYR 56 HE1 TYR 56 -6.976 -6.282 0.889 210 HE2 TYR 56 HE2 TYR 56 -5.965 -8.579 4.401 211 HH TYR 56 HH TYR 56 -8.188 -8.007 1.604 212 H ALA 57 H ALA 57 -3.158 -3.219 6.043 213 HA ALA 57 HA ALA 57 -5.594 -4.104 7.216 214 HB1 ALA 57 HB1 ALA 57 -3.586 -2.200 8.461 215 HB2 ALA 57 HB2 ALA 57 -4.726 -3.248 9.297 216 HB3 ALA 57 HB3 ALA 57 -3.375 -3.982 8.381 217 H GLN 58 H GLN 58 -4.874 -0.975 5.782 218 HA GLN 58 HA GLN 58 -7.040 0.323 7.322 219 HB2 GLN 58 HB2 GLN 58 -5.551 1.321 4.898 220 HB3 GLN 58 HB3 GLN 58 -6.515 2.297 6.018 221 HG2 GLN 58 HG2 GLN 58 -3.790 1.051 6.403 222 HG3 GLN 58 HG3 GLN 58 -4.211 2.740 6.519 223 HE21 GLN 58 HE22 GLN 58 -2.875 0.804 8.394 224 HE22 GLN 58 HE21 GLN 58 -3.809 0.912 9.857 225 H ILE 59 H ILE 59 -7.002 -1.780 4.622 226 HA ILE 59 HA ILE 59 -8.972 -0.361 3.034 227 HB ILE 59 HB ILE 59 -7.546 -2.997 2.696 228 HG12 ILE 59 HG12 ILE 59 -7.248 -0.180 1.513 229 HG13 ILE 59 HG13 ILE 59 -6.139 -0.957 2.653 230 HG21 ILE 59 HG21 ILE 59 -9.332 -1.541 0.716 231 HG22 ILE 59 HG22 ILE 59 -8.358 -3.002 0.395 232 HG23 ILE 59 HG23 ILE 59 -9.707 -3.089 1.518 233 HD11 ILE 59 HD11 ILE 59 -6.577 -1.723 -0.230 234 HD12 ILE 59 HD12 ILE 59 -5.133 -1.045 0.548 235 HD13 ILE 59 HD13 ILE 59 -5.664 -2.692 0.963 236 HA PRO 60 HA PRO 60 -12.277 -2.299 5.289 237 HB2 PRO 60 HB2 PRO 60 -14.450 -1.067 4.184 238 HB3 PRO 60 HB3 PRO 60 -13.250 -0.206 5.198 239 HG2 PRO 60 HG2 PRO 60 -13.369 -0.342 2.170 240 HG3 PRO 60 HG3 PRO 60 -13.190 1.112 3.206 241 HD2 PRO 60 HD2 PRO 60 -11.041 -0.134 2.068 242 HD3 PRO 60 HD3 PRO 60 -10.947 0.606 3.694 243 H GLN 61 H GLN 61 -13.718 -3.858 5.244 244 HA GLN 61 HA GLN 61 -13.427 -5.876 3.319 245 HB2 GLN 61 HB2 GLN 61 -15.364 -5.545 5.651 246 HB3 GLN 61 HB3 GLN 61 -15.210 -7.029 4.715 247 HG2 GLN 61 HG2 GLN 61 -13.908 -7.225 6.750 248 HG3 GLN 61 HG3 GLN 61 -12.859 -7.257 5.335 249 HE21 GLN 61 HE22 GLN 61 -10.900 -6.268 5.961 250 HE22 GLN 61 HE21 GLN 61 -10.873 -4.689 6.719 251 H GLU 62 H GLU 62 -16.044 -3.486 3.489 252 HA GLU 62 HA GLU 62 -18.025 -4.828 1.982 253 HB2 GLU 62 HB2 GLU 62 -17.353 -1.847 1.891 254 HB3 GLU 62 HB3 GLU 62 -18.857 -2.606 1.324 255 HG2 GLU 62 HG2 GLU 62 -19.169 -3.490 3.697 256 HG3 GLU 62 HG3 GLU 62 -17.856 -2.437 4.190 257 H LEU 63 H LEU 63 -15.013 -3.541 0.854 258 HA LEU 63 HA LEU 63 -15.558 -3.407 -1.999 259 HB2 LEU 63 HB2 LEU 63 -12.932 -3.685 -0.482 260 HB3 LEU 63 HB3 LEU 63 -13.131 -3.110 -2.132 261 HG LEU 63 HG LEU 63 -14.092 -1.683 0.392 262 HD11 LEU 63 HD11 LEU 63 -11.800 -1.185 -1.536 263 HD12 LEU 63 HD12 LEU 63 -12.251 -0.135 -0.167 264 HD13 LEU 63 HD13 LEU 63 -11.692 -1.798 0.132 265 HD21 LEU 63 HD21 LEU 63 -15.579 -1.255 -1.442 266 HD22 LEU 63 HD22 LEU 63 -14.566 0.176 -1.174 267 HD23 LEU 63 HD23 LEU 63 -14.213 -0.919 -2.539 268 H GLU 64 H GLU 64 -14.651 -5.829 0.172 269 HA GLU 64 HA GLU 64 -14.084 -8.070 0.073 270 HB2 GLU 64 HB2 GLU 64 -15.126 -8.028 -2.779 271 HB3 GLU 64 HB3 GLU 64 -14.850 -9.446 -1.767 272 HG2 GLU 64 HG2 GLU 64 -16.551 -8.633 -0.147 273 HG3 GLU 64 HG3 GLU 64 -16.862 -7.247 -1.181 274 H TRP 65 H TRP 65 -12.094 -5.957 -0.940 275 HA TRP 65 HA TRP 65 -10.421 -7.283 -2.844 276 HB2 TRP 65 HB2 TRP 65 -9.997 -4.942 -0.985 277 HB3 TRP 65 HB3 TRP 65 -8.726 -5.559 -2.037 278 HD1 TRP 65 HD1 TRP 65 -12.075 -5.694 -3.734 279 HE1 TRP 65 HE1 TRP 65 -12.225 -3.895 -5.517 280 HE3 TRP 65 HE3 TRP 65 -7.977 -2.907 -2.415 281 HZ2 TRP 65 HZ2 TRP 65 -10.687 -1.611 -6.392 282 HZ3 TRP 65 HZ3 TRP 65 -7.350 -0.916 -3.764 283 HH2 TRP 65 HH2 TRP 65 -8.665 -0.303 -5.788 284 H SER 66 H SER 66 -9.987 -9.378 -2.224 285 HA SER 66 HA SER 66 -8.536 -10.262 0.003 286 HB2 SER 66 HB2 SER 66 -8.220 -11.171 -2.878 287 HB3 SER 66 HB3 SER 66 -7.819 -12.120 -1.432 288 HG SER 66 HG SER 66 -9.938 -12.513 -2.469 289 H LEU 67 H LEU 67 -6.371 -10.497 0.607 290 HA LEU 67 HA LEU 67 -4.863 -8.416 0.469 291 HB2 LEU 67 HB2 LEU 67 -4.649 -10.889 1.593 292 HB3 LEU 67 HB3 LEU 67 -3.227 -10.875 0.570 293 HG LEU 67 HG LEU 67 -3.985 -9.248 2.974 294 HD11 LEU 67 HD11 LEU 67 -1.419 -10.483 2.043 295 HD12 LEU 67 HD12 LEU 67 -1.756 -9.763 3.658 296 HD13 LEU 67 HD13 LEU 67 -2.646 -11.213 3.136 297 HD21 LEU 67 HD21 LEU 67 -3.400 -7.449 1.411 298 HD22 LEU 67 HD22 LEU 67 -2.122 -7.640 2.610 299 HD23 LEU 67 HD23 LEU 67 -1.951 -8.288 0.953 300 H ALA 68 H ALA 68 -4.613 -10.808 -2.157 301 HA ALA 68 HA ALA 68 -2.151 -9.845 -3.244 302 HB1 ALA 68 HB1 ALA 68 -4.556 -11.112 -4.642 303 HB2 ALA 68 HB2 ALA 68 -2.921 -10.952 -5.315 304 HB3 ALA 68 HB3 ALA 68 -3.191 -11.988 -3.903 305 H THR 69 H THR 69 -5.536 -8.591 -3.594 306 HA THR 69 HA THR 69 -5.079 -7.166 -5.996 307 HB THR 69 HB THR 69 -7.128 -6.458 -3.874 308 HG1 THR 69 HG1 THR 69 -8.356 -7.655 -5.620 309 HG21 THR 69 HG21 THR 69 -6.796 -5.804 -6.844 310 HG22 THR 69 HG22 THR 69 -8.320 -5.555 -5.935 311 HG23 THR 69 HG23 THR 69 -6.858 -4.651 -5.508 312 H VAL 70 H VAL 70 -4.985 -5.741 -2.633 313 HA VAL 70 HA VAL 70 -4.171 -3.229 -3.471 314 HB VAL 70 HB VAL 70 -4.839 -3.827 -1.121 315 HG11 VAL 70 HG11 VAL 70 -2.017 -4.956 -0.869 316 HG12 VAL 70 HG12 VAL 70 -3.104 -4.620 0.433 317 HG13 VAL 70 HG13 VAL 70 -3.552 -5.866 -0.743 318 HG21 VAL 70 HG21 VAL 70 -3.662 -1.723 -1.691 319 HG22 VAL 70 HG22 VAL 70 -3.207 -2.300 -0.054 320 HG23 VAL 70 HG23 VAL 70 -2.113 -2.539 -1.427 321 H LYS 71 H LYS 71 -2.099 -6.063 -2.948 322 HA LYS 71 HA LYS 71 0.404 -4.681 -3.190 323 HB2 LYS 71 HB2 LYS 71 -0.219 -7.614 -3.735 324 HB3 LYS 71 HB3 LYS 71 1.379 -6.898 -3.455 325 HG2 LYS 71 HG2 LYS 71 0.588 -6.115 -1.218 326 HG3 LYS 71 HG3 LYS 71 -0.928 -6.998 -1.462 327 HD2 LYS 71 HD2 LYS 71 0.396 -9.071 -1.899 328 HD3 LYS 71 HD3 LYS 71 1.861 -8.162 -1.475 329 HE2 LYS 71 HE2 LYS 71 0.409 -7.655 0.791 330 HE3 LYS 71 HE3 LYS 71 -0.390 -9.087 0.306 331 HZ1 LYS 71 HZ1 LYS 71 2.533 -9.063 0.611 332 HZ2 LYS 71 HZ2 LYS 71 1.467 -9.695 1.704 333 HZ3 LYS 71 HZ3 LYS 71 1.636 -10.348 0.205 334 H THR 72 H THR 72 -1.537 -6.349 -5.606 335 HA THR 72 HA THR 72 0.274 -5.714 -7.805 336 HB THR 72 HB THR 72 -1.257 -7.547 -8.007 337 HG1 THR 72 HG1 THR 72 -2.014 -7.079 -10.059 338 HG21 THR 72 HG21 THR 72 -3.455 -5.453 -8.077 339 HG22 THR 72 HG22 THR 72 -3.644 -7.145 -8.610 340 HG23 THR 72 HG23 THR 72 -3.217 -6.788 -6.938 341 H LEU 73 H LEU 73 -2.400 -3.794 -6.325 342 HA LEU 73 HA LEU 73 -2.417 -1.802 -8.404 343 HB2 LEU 73 HB2 LEU 73 -4.209 -2.741 -6.803 344 HB3 LEU 73 HB3 LEU 73 -3.461 -1.769 -5.543 345 HG LEU 73 HG LEU 73 -4.852 -0.837 -8.095 346 HD11 LEU 73 HD11 LEU 73 -5.462 -0.558 -5.121 347 HD12 LEU 73 HD12 LEU 73 -6.462 0.067 -6.456 348 HD13 LEU 73 HD13 LEU 73 -6.257 -1.690 -6.218 349 HD21 LEU 73 HD21 LEU 73 -3.088 0.714 -7.733 350 HD22 LEU 73 HD22 LEU 73 -4.528 1.460 -7.018 351 HD23 LEU 73 HD23 LEU 73 -3.297 0.666 -5.973 352 H LEU 74 H LEU 74 -1.098 -1.994 -5.060 353 HA LEU 74 HA LEU 74 0.370 0.385 -4.804 354 HB2 LEU 74 HB2 LEU 74 0.779 -2.526 -4.026 355 HB3 LEU 74 HB3 LEU 74 2.078 -1.399 -3.716 356 HG LEU 74 HG LEU 74 -0.755 -0.919 -2.734 357 HD11 LEU 74 HD11 LEU 74 0.294 -3.038 -1.837 358 HD12 LEU 74 HD12 LEU 74 1.662 -2.042 -1.269 359 HD13 LEU 74 HD13 LEU 74 0.003 -1.782 -0.622 360 HD21 LEU 74 HD21 LEU 74 0.580 1.064 -2.823 361 HD22 LEU 74 HD22 LEU 74 0.642 0.530 -1.111 362 HD23 LEU 74 HD23 LEU 74 2.006 0.233 -2.218 363 H GLY 75 H GLY 75 1.226 -2.609 -6.234 364 HA2 GLY 75 HA2 GLY 75 3.842 -2.205 -7.208 365 HA3 GLY 75 HA3 GLY 75 2.641 -3.265 -7.974 366 H ARG 76 H ARG 76 0.949 -0.739 -8.321 367 HA ARG 76 HA ARG 76 2.090 0.243 -10.908 368 HB2 ARG 76 HB2 ARG 76 -0.656 0.770 -9.732 369 HB3 ARG 76 HB3 ARG 76 -0.103 1.250 -11.314 370 HG2 ARG 76 HG2 ARG 76 -0.105 -1.714 -10.627 371 HG3 ARG 76 HG3 ARG 76 -1.612 -0.911 -10.964 372 HD2 ARG 76 HD2 ARG 76 -0.680 -0.117 -13.152 373 HD3 ARG 76 HD3 ARG 76 0.834 -0.975 -12.800 374 HE ARG 76 HE ARG 76 -0.878 -3.014 -12.549 375 HH11 ARG 76 HH11 ARG 76 -0.765 -0.703 -15.229 376 HH12 ARG 76 HH12 ARG 76 -1.752 -1.790 -16.202 377 HH21 ARG 76 HH21 ARG 76 -1.895 -4.283 -13.958 378 HH22 ARG 76 HH22 ARG 76 -2.288 -3.681 -15.584 379 H LEU 77 H LEU 77 0.691 1.457 -7.768 380 HA LEU 77 HA LEU 77 1.243 4.205 -8.192 381 HB2 LEU 77 HB2 LEU 77 1.689 2.852 -5.519 382 HB3 LEU 77 HB3 LEU 77 1.105 4.478 -5.845 383 HG LEU 77 HG LEU 77 -0.378 1.858 -6.191 384 HD11 LEU 77 HD11 LEU 77 -0.882 4.208 -4.379 385 HD12 LEU 77 HD12 LEU 77 -1.668 2.603 -4.353 386 HD13 LEU 77 HD13 LEU 77 0.066 2.768 -3.964 387 HD21 LEU 77 HD21 LEU 77 -1.116 3.192 -7.960 388 HD22 LEU 77 HD22 LEU 77 -2.350 3.364 -6.669 389 HD23 LEU 77 HD23 LEU 77 -1.143 4.663 -6.954 390 H VAL 78 H VAL 78 3.211 1.840 -6.601 391 HA VAL 78 HA VAL 78 5.441 3.548 -6.069 392 HB VAL 78 HB VAL 78 6.508 1.961 -4.982 393 HG11 VAL 78 HG11 VAL 78 4.324 -0.064 -5.277 394 HG12 VAL 78 HG12 VAL 78 5.302 0.362 -3.881 395 HG13 VAL 78 HG13 VAL 78 4.007 1.462 -4.409 396 HG21 VAL 78 HG21 VAL 78 7.491 0.779 -6.770 397 HG22 VAL 78 HG22 VAL 78 6.926 -0.355 -5.572 398 HG23 VAL 78 HG23 VAL 78 5.985 -0.144 -7.089 399 H LYS 79 H LYS 79 4.872 1.629 -8.943 400 HA LYS 79 HA LYS 79 7.506 2.094 -10.159 401 HB2 LYS 79 HB2 LYS 79 5.254 0.449 -10.537 402 HB3 LYS 79 HB3 LYS 79 5.433 1.418 -12.039 403 HG2 LYS 79 HG2 LYS 79 6.534 -0.466 -12.486 404 HG3 LYS 79 HG3 LYS 79 7.779 0.696 -12.035 405 HD2 LYS 79 HD2 LYS 79 6.440 -1.335 -10.214 406 HD3 LYS 79 HD3 LYS 79 8.027 -1.658 -11.023 407 HE2 LYS 79 HE2 LYS 79 8.777 0.442 -9.728 408 HE3 LYS 79 HE3 LYS 79 7.185 0.280 -8.935 409 HZ1 LYS 79 HZ1 LYS 79 9.417 -1.726 -8.905 410 HZ2 LYS 79 HZ2 LYS 79 9.032 -0.770 -7.652 411 HZ3 LYS 79 HZ3 LYS 79 7.979 -1.967 -8.140 412 H LYS 80 H LYS 80 4.278 3.301 -10.484 413 HA LYS 80 HA LYS 80 4.652 5.424 -12.365 414 HB2 LYS 80 HB2 LYS 80 2.657 5.082 -10.123 415 HB3 LYS 80 HB3 LYS 80 2.675 6.540 -11.089 416 HG2 LYS 80 HG2 LYS 80 2.415 3.801 -12.382 417 HG3 LYS 80 HG3 LYS 80 1.037 4.708 -11.748 418 HD2 LYS 80 HD2 LYS 80 1.721 6.654 -13.230 419 HD3 LYS 80 HD3 LYS 80 2.908 5.572 -13.992 420 HE2 LYS 80 HE2 LYS 80 1.079 4.011 -14.613 421 HE3 LYS 80 HE3 LYS 80 -0.098 5.054 -13.794 422 HZ1 LYS 80 HZ1 LYS 80 1.502 5.737 -16.196 423 HZ2 LYS 80 HZ2 LYS 80 -0.122 5.535 -16.149 424 HZ3 LYS 80 HZ3 LYS 80 0.586 6.829 -15.423 425 H GLU 81 H GLU 81 4.055 6.526 -9.068 426 HA GLU 81 HA GLU 81 6.527 7.867 -8.758 427 HB2 GLU 81 HB2 GLU 81 5.162 9.082 -10.879 428 HB3 GLU 81 HB3 GLU 81 4.641 10.059 -9.529 429 HG2 GLU 81 HG2 GLU 81 7.163 10.120 -8.843 430 HG3 GLU 81 HG3 GLU 81 7.489 9.430 -10.433 431 H MET 82 H MET 82 4.157 6.688 -7.071 432 HA MET 82 HA MET 82 3.529 9.057 -5.386 433 HB2 MET 82 HB2 MET 82 2.805 6.097 -5.150 434 HB3 MET 82 HB3 MET 82 2.450 7.323 -3.935 435 HG2 MET 82 HG2 MET 82 1.349 8.606 -5.957 436 HG3 MET 82 HG3 MET 82 1.351 6.995 -6.698 437 HE1 MET 82 HE1 MET 82 -0.341 9.412 -4.046 438 HE2 MET 82 HE2 MET 82 -0.872 8.246 -2.817 439 HE3 MET 82 HE3 MET 82 0.847 8.499 -3.095 440 H LEU 83 H LEU 83 4.662 5.834 -4.510 441 HA LEU 83 HA LEU 83 6.625 7.048 -2.600 442 HB2 LEU 83 HB2 LEU 83 4.857 4.617 -2.064 443 HB3 LEU 83 HB3 LEU 83 5.945 5.414 -0.955 444 HG LEU 83 HG LEU 83 3.181 6.217 -1.817 445 HD11 LEU 83 HD11 LEU 83 4.616 6.170 0.872 446 HD12 LEU 83 HD12 LEU 83 2.897 6.499 0.607 447 HD13 LEU 83 HD13 LEU 83 3.553 4.892 0.241 448 HD21 LEU 83 HD21 LEU 83 4.043 8.294 -2.197 449 HD22 LEU 83 HD22 LEU 83 3.750 8.423 -0.463 450 HD23 LEU 83 HD23 LEU 83 5.405 8.080 -1.062 451 H SER 84 H SER 84 8.227 5.574 -1.840 452 HA SER 84 HA SER 84 8.859 3.377 -3.821 453 HB2 SER 84 HB2 SER 84 10.805 4.626 -1.880 454 HB3 SER 84 HB3 SER 84 11.101 3.360 -3.105 455 HG SER 84 HG SER 84 11.606 5.726 -3.588 456 H THR 85 H THR 85 9.983 1.485 -2.769 457 HA THR 85 HA THR 85 9.163 1.084 0.048 458 HB THR 85 HB THR 85 7.251 0.390 -1.164 459 HG1 THR 85 HG1 THR 85 8.056 -1.013 0.468 460 HG21 THR 85 HG21 THR 85 8.949 -1.475 -2.832 461 HG22 THR 85 HG22 THR 85 7.194 -1.143 -2.993 462 HG23 THR 85 HG23 THR 85 8.367 0.114 -3.412 463 H GLU 86 H GLU 86 10.240 -0.488 1.157 464 HA GLU 86 HA GLU 86 12.593 -1.827 0.019 465 HB2 GLU 86 HB2 GLU 86 14.109 -0.821 1.670 466 HB3 GLU 86 HB3 GLU 86 13.537 0.309 0.441 467 HG2 GLU 86 HG2 GLU 86 11.873 1.193 2.163 468 HG3 GLU 86 HG3 GLU 86 12.695 0.190 3.362 469 H LYS 87 H LYS 87 13.741 -3.139 1.656 470 HA LYS 87 HA LYS 87 11.689 -4.763 2.985 471 HB2 LYS 87 HB2 LYS 87 13.480 -5.363 1.091 472 HB3 LYS 87 HB3 LYS 87 14.539 -5.639 2.477 473 HG2 LYS 87 HG2 LYS 87 12.920 -7.327 3.343 474 HG3 LYS 87 HG3 LYS 87 11.801 -6.910 2.031 475 HD2 LYS 87 HD2 LYS 87 13.785 -7.520 0.426 476 HD3 LYS 87 HD3 LYS 87 14.478 -8.330 1.848 477 HE2 LYS 87 HE2 LYS 87 12.455 -9.713 2.049 478 HE3 LYS 87 HE3 LYS 87 11.678 -8.777 0.772 479 HZ1 LYS 87 HZ1 LYS 87 14.097 -10.487 0.375 480 HZ2 LYS 87 HZ2 LYS 87 12.582 -10.883 -0.163 481 HZ3 LYS 87 HZ3 LYS 87 13.400 -9.613 -0.782 482 H GLU 88 H GLU 88 11.668 -5.255 5.010 483 HA GLU 88 HA GLU 88 13.767 -4.309 6.952 484 HB2 GLU 88 HB2 GLU 88 10.746 -4.351 7.064 485 HB3 GLU 88 HB3 GLU 88 11.691 -4.350 8.540 486 HG2 GLU 88 HG2 GLU 88 12.195 -2.230 6.437 487 HG3 GLU 88 HG3 GLU 88 10.829 -2.121 7.550 488 H GLY 89 H GLY 89 14.860 -6.322 6.669 489 HA2 GLY 89 HA2 GLY 89 15.618 -8.307 7.512 490 HA3 GLY 89 HA3 GLY 89 14.362 -8.173 8.737 491 H ARG 90 H ARG 90 12.194 -8.360 6.873 492 HA ARG 90 HA ARG 90 12.298 -10.726 5.183 493 HB2 ARG 90 HB2 ARG 90 12.033 -11.841 7.408 494 HB3 ARG 90 HB3 ARG 90 10.604 -10.857 7.735 495 HG2 ARG 90 HG2 ARG 90 9.507 -11.872 5.697 496 HG3 ARG 90 HG3 ARG 90 10.940 -12.880 5.484 497 HD2 ARG 90 HD2 ARG 90 10.466 -13.990 7.647 498 HD3 ARG 90 HD3 ARG 90 9.096 -12.897 7.911 499 HE ARG 90 HE ARG 90 9.253 -14.669 5.501 500 HH11 ARG 90 HH11 ARG 90 7.648 -14.177 8.504 501 HH12 ARG 90 HH12 ARG 90 6.226 -15.075 8.049 502 HH21 ARG 90 HH21 ARG 90 7.427 -15.814 4.913 503 HH22 ARG 90 HH22 ARG 90 6.060 -15.873 5.996 504 H LYS 91 H LYS 91 10.277 -8.408 7.018 505 HA LYS 91 HA LYS 91 8.025 -8.455 5.231 506 HB2 LYS 91 HB2 LYS 91 8.420 -8.060 7.873 507 HB3 LYS 91 HB3 LYS 91 8.732 -6.411 7.373 508 HG2 LYS 91 HG2 LYS 91 6.526 -6.583 8.119 509 HG3 LYS 91 HG3 LYS 91 6.446 -6.352 6.363 510 HD2 LYS 91 HD2 LYS 91 5.167 -8.163 6.158 511 HD3 LYS 91 HD3 LYS 91 6.397 -9.214 6.864 512 HE2 LYS 91 HE2 LYS 91 4.438 -7.539 8.496 513 HE3 LYS 91 HE3 LYS 91 4.030 -9.132 7.918 514 HZ1 LYS 91 HZ1 LYS 91 6.405 -8.686 9.650 515 HZ2 LYS 91 HZ2 LYS 91 4.912 -9.005 10.240 516 HZ3 LYS 91 HZ3 LYS 91 5.653 -10.116 9.315 517 H PHE 92 H PHE 92 7.210 -6.133 4.611 518 HA PHE 92 HA PHE 92 9.382 -4.537 3.276 519 HB2 PHE 92 HB2 PHE 92 7.048 -5.913 2.094 520 HB3 PHE 92 HB3 PHE 92 7.179 -4.210 1.669 521 HD1 PHE 92 HD2 PHE 92 9.206 -3.341 0.590 522 HD2 PHE 92 HD1 PHE 92 8.473 -7.521 1.199 523 HE1 PHE 92 HE2 PHE 92 11.027 -3.877 -1.016 524 HE2 PHE 92 HE1 PHE 92 10.204 -8.087 -0.520 525 HZ PHE 92 HZ PHE 92 11.505 -6.256 -1.613 526 H VAL 93 H VAL 93 9.020 -2.358 3.121 527 HA VAL 93 HA VAL 93 6.572 -1.173 4.277 528 HB VAL 93 HB VAL 93 7.916 -1.070 6.158 529 HG11 VAL 93 HG11 VAL 93 10.262 -0.282 4.434 530 HG12 VAL 93 HG12 VAL 93 10.233 -0.225 6.216 531 HG13 VAL 93 HG13 VAL 93 10.013 -1.773 5.396 532 HG21 VAL 93 HG21 VAL 93 6.875 1.095 5.691 533 HG22 VAL 93 HG22 VAL 93 8.391 1.304 6.560 534 HG23 VAL 93 HG23 VAL 93 8.328 1.639 4.813 535 H TYR 94 H TYR 94 5.999 0.718 3.577 536 HA TYR 94 HA TYR 94 6.982 1.576 0.909 537 HB2 TYR 94 HB2 TYR 94 4.186 1.214 2.080 538 HB3 TYR 94 HB3 TYR 94 4.527 1.951 0.530 539 HD1 TYR 94 HD2 TYR 94 4.934 -1.378 2.412 540 HD2 TYR 94 HD1 TYR 94 4.650 0.662 -1.411 541 HE1 TYR 94 HE2 TYR 94 4.940 -3.532 1.238 542 HE2 TYR 94 HE1 TYR 94 4.651 -1.546 -2.556 543 HH TYR 94 HH TYR 94 4.938 -3.813 -2.294 544 H ARG 95 H ARG 95 7.836 3.502 1.074 545 HA ARG 95 HA ARG 95 6.649 5.700 2.730 546 HB2 ARG 95 HB2 ARG 95 8.734 6.163 3.822 547 HB3 ARG 95 HB3 ARG 95 8.327 4.460 4.025 548 HG2 ARG 95 HG2 ARG 95 9.970 3.846 2.284 549 HG3 ARG 95 HG3 ARG 95 10.473 5.537 2.165 550 HD2 ARG 95 HD2 ARG 95 10.416 4.095 4.846 551 HD3 ARG 95 HD3 ARG 95 11.755 3.851 3.752 552 HE ARG 95 HE ARG 95 11.032 6.422 5.115 553 HH11 ARG 95 HH11 ARG 95 13.453 4.635 3.188 554 HH12 ARG 95 HH12 ARG 95 14.628 5.883 3.495 555 HH21 ARG 95 HH21 ARG 95 12.704 7.804 5.581 556 HH22 ARG 95 HH22 ARG 95 14.264 7.568 4.878 557 HA PRO 96 HA PRO 96 7.754 8.352 -0.702 558 HB2 PRO 96 HB2 PRO 96 8.113 10.812 0.453 559 HB3 PRO 96 HB3 PRO 96 6.520 10.007 0.362 560 HG2 PRO 96 HG2 PRO 96 8.480 9.981 2.682 561 HG3 PRO 96 HG3 PRO 96 6.735 10.401 2.718 562 HD2 PRO 96 HD2 PRO 96 7.578 7.923 3.363 563 HD3 PRO 96 HD3 PRO 96 6.094 8.148 2.387 564 H LEU 97 H LEU 97 9.468 9.929 -1.475 565 HA LEU 97 HA LEU 97 12.158 9.412 -0.422 566 HB2 LEU 97 HB2 LEU 97 10.865 8.257 -2.741 567 HB3 LEU 97 HB3 LEU 97 12.040 9.380 -3.349 568 HG LEU 97 HG LEU 97 12.959 7.160 -3.199 569 HD11 LEU 97 HD11 LEU 97 14.151 9.036 -1.123 570 HD12 LEU 97 HD12 LEU 97 15.007 7.678 -1.910 571 HD13 LEU 97 HD13 LEU 97 14.450 9.082 -2.857 572 HD21 LEU 97 HD21 LEU 97 11.494 6.549 -1.178 573 HD22 LEU 97 HD22 LEU 97 13.166 5.910 -1.189 574 HD23 LEU 97 HD23 LEU 97 12.729 7.297 -0.181 575 H MET 98 H MET 98 10.383 11.797 -0.364 576 HA MET 98 HA MET 98 12.205 13.817 -1.597 577 HB2 MET 98 HB2 MET 98 10.059 13.458 -2.903 578 HB3 MET 98 HB3 MET 98 9.173 14.022 -1.485 579 HG2 MET 98 HG2 MET 98 10.461 16.195 -1.654 580 HG3 MET 98 HG3 MET 98 11.166 15.606 -3.153 581 HE1 MET 98 HE1 MET 98 8.637 14.215 -4.668 582 HE2 MET 98 HE2 MET 98 8.099 15.633 -5.590 583 HE3 MET 98 HE3 MET 98 9.835 15.311 -5.399 584 H GLU 99 H GLU 99 10.689 12.637 1.240 585 HA GLU 99 HA GLU 99 11.522 14.820 2.941 586 HB2 GLU 99 HB2 GLU 99 9.046 15.244 2.051 587 HB3 GLU 99 HB3 GLU 99 8.620 13.900 3.107 588 HG2 GLU 99 HG2 GLU 99 10.254 15.754 4.618 589 HG3 GLU 99 HG3 GLU 99 9.102 16.706 3.714 Start of MODEL 14 1 H PHE 31 H1 PHE 31 -25.942 5.722 -15.677 2 HA PHE 31 HA PHE 31 -24.731 3.362 -16.961 3 HB2 PHE 31 HB2 PHE 31 -25.544 4.818 -18.668 4 HB3 PHE 31 HB3 PHE 31 -25.036 6.259 -17.801 5 HD1 PHE 31 HD2 PHE 31 -23.820 3.400 -19.879 6 HD2 PHE 31 HD1 PHE 31 -22.813 7.139 -17.967 7 HE1 PHE 31 HE2 PHE 31 -21.694 3.513 -21.178 8 HE2 PHE 31 HE1 PHE 31 -20.694 7.228 -19.255 9 HZ PHE 31 HZ PHE 31 -20.137 5.418 -20.860 10 H ASN 32 H ASN 32 -23.250 2.727 -15.428 11 HA ASN 32 HA ASN 32 -21.435 4.787 -14.244 12 HB2 ASN 32 HB2 ASN 32 -23.203 2.799 -12.739 13 HB3 ASN 32 HB3 ASN 32 -21.991 3.828 -11.994 14 HD21 ASN 32 HD22 ASN 32 -22.507 5.977 -11.537 15 HD22 ASN 32 HD21 ASN 32 -24.083 6.659 -11.849 16 H VAL 33 H VAL 33 -19.653 3.794 -12.959 17 HA VAL 33 HA VAL 33 -18.856 1.049 -13.652 18 HB VAL 33 HB VAL 33 -18.150 2.605 -15.530 19 HG11 VAL 33 HG11 VAL 33 -16.089 3.638 -13.536 20 HG12 VAL 33 HG12 VAL 33 -16.213 4.035 -15.264 21 HG13 VAL 33 HG13 VAL 33 -17.477 4.566 -14.145 22 HG21 VAL 33 HG21 VAL 33 -17.087 0.403 -15.125 23 HG22 VAL 33 HG22 VAL 33 -16.008 1.599 -15.865 24 HG23 VAL 33 HG23 VAL 33 -15.837 1.218 -14.151 25 H SER 34 H SER 34 -16.801 0.439 -12.413 26 HA SER 34 HA SER 34 -16.725 1.849 -9.775 27 HB2 SER 34 HB2 SER 34 -17.373 -0.590 -9.864 28 HB3 SER 34 HB3 SER 34 -15.704 -0.939 -10.365 29 HG SER 34 HG SER 34 -16.328 -0.930 -7.999 30 H ASN 35 H ASN 35 -14.527 1.722 -8.673 31 HA ASN 35 HA ASN 35 -12.325 2.440 -10.549 32 HB2 ASN 35 HB2 ASN 35 -13.712 4.219 -8.497 33 HB3 ASN 35 HB3 ASN 35 -12.056 4.516 -8.986 34 HD21 ASN 35 HD22 ASN 35 -15.332 5.223 -9.843 35 HD22 ASN 35 HD21 ASN 35 -14.898 5.906 -11.397 36 H ALA 36 H ALA 36 -10.255 2.576 -9.595 37 HA ALA 36 HA ALA 36 -9.625 0.847 -7.353 38 HB1 ALA 36 HB1 ALA 36 -7.978 2.811 -9.011 39 HB2 ALA 36 HB2 ALA 36 -7.315 1.648 -7.864 40 HB3 ALA 36 HB3 ALA 36 -8.153 1.066 -9.311 41 H GLU 37 H GLU 37 -10.804 4.012 -7.412 42 HA GLU 37 HA GLU 37 -10.619 5.904 -6.201 43 HB2 GLU 37 HB2 GLU 37 -11.597 4.057 -4.618 44 HB3 GLU 37 HB3 GLU 37 -10.048 4.157 -3.786 45 HG2 GLU 37 HG2 GLU 37 -11.714 5.457 -2.634 46 HG3 GLU 37 HG3 GLU 37 -10.507 6.554 -3.270 47 H LEU 38 H LEU 38 -9.029 6.698 -3.993 48 HA LEU 38 HA LEU 38 -6.208 6.112 -4.792 49 HB2 LEU 38 HB2 LEU 38 -7.424 8.838 -4.200 50 HB3 LEU 38 HB3 LEU 38 -5.689 8.541 -4.148 51 HG LEU 38 HG LEU 38 -7.408 8.137 -6.626 52 HD11 LEU 38 HD11 LEU 38 -5.418 10.333 -5.900 53 HD12 LEU 38 HD12 LEU 38 -6.287 10.164 -7.441 54 HD13 LEU 38 HD13 LEU 38 -7.182 10.508 -5.961 55 HD21 LEU 38 HD21 LEU 38 -5.410 6.687 -6.689 56 HD22 LEU 38 HD22 LEU 38 -5.203 8.039 -7.790 57 HD23 LEU 38 HD23 LEU 38 -4.377 8.058 -6.218 58 H ILE 39 H ILE 39 -8.173 5.228 -2.608 59 HA ILE 39 HA ILE 39 -7.404 5.943 -0.022 60 HB ILE 39 HB ILE 39 -8.203 3.279 -1.193 61 HG12 ILE 39 HG12 ILE 39 -9.631 5.405 0.489 62 HG13 ILE 39 HG13 ILE 39 -9.803 5.205 -1.253 63 HG21 ILE 39 HG21 ILE 39 -8.072 3.932 1.783 64 HG22 ILE 39 HG22 ILE 39 -8.593 2.418 1.050 65 HG23 ILE 39 HG23 ILE 39 -6.908 2.874 0.958 66 HD11 ILE 39 HD11 ILE 39 -10.698 3.262 0.885 67 HD12 ILE 39 HD12 ILE 39 -11.703 4.229 -0.208 68 HD13 ILE 39 HD13 ILE 39 -10.708 2.906 -0.868 69 H VAL 40 H VAL 40 -5.915 3.388 -1.989 70 HA VAL 40 HA VAL 40 -3.759 2.748 -0.283 71 HB VAL 40 HB VAL 40 -2.860 1.571 -2.335 72 HG11 VAL 40 HG11 VAL 40 -5.877 1.265 -1.965 73 HG12 VAL 40 HG12 VAL 40 -4.801 0.116 -2.769 74 HG13 VAL 40 HG13 VAL 40 -4.595 0.457 -1.035 75 HG21 VAL 40 HG21 VAL 40 -3.542 3.372 -4.037 76 HG22 VAL 40 HG22 VAL 40 -3.918 1.727 -4.482 77 HG23 VAL 40 HG23 VAL 40 -5.207 2.772 -3.882 78 H MET 41 H MET 41 -3.930 5.596 -2.011 79 HA MET 41 HA MET 41 -0.954 5.945 -1.859 80 HB2 MET 41 HB2 MET 41 -1.858 6.353 -4.078 81 HB3 MET 41 HB3 MET 41 -3.093 7.431 -3.449 82 HG2 MET 41 HG2 MET 41 -0.134 8.022 -3.126 83 HG3 MET 41 HG3 MET 41 -1.036 8.439 -4.582 84 HE1 MET 41 HE1 MET 41 -0.646 11.007 -4.609 85 HE2 MET 41 HE2 MET 41 -0.626 11.980 -3.125 86 HE3 MET 41 HE3 MET 41 0.529 10.644 -3.319 87 H ARG 42 H ARG 42 -4.127 7.464 -1.124 88 HA ARG 42 HA ARG 42 -2.768 9.487 0.456 89 HB2 ARG 42 HB2 ARG 42 -4.779 9.591 -1.279 90 HB3 ARG 42 HB3 ARG 42 -5.752 9.408 0.182 91 HG2 ARG 42 HG2 ARG 42 -4.825 11.480 1.088 92 HG3 ARG 42 HG3 ARG 42 -3.559 11.526 -0.147 93 HD2 ARG 42 HD2 ARG 42 -5.368 13.146 -0.653 94 HD3 ARG 42 HD3 ARG 42 -5.175 11.935 -1.914 95 HE ARG 42 HE ARG 42 -7.212 10.934 -1.347 96 HH11 ARG 42 HH11 ARG 42 -6.848 13.828 0.526 97 HH12 ARG 42 HH12 ARG 42 -8.186 13.450 1.606 98 HH21 ARG 42 HH21 ARG 42 -8.920 10.478 -0.013 99 HH22 ARG 42 HH22 ARG 42 -9.343 11.561 1.277 100 H VAL 43 H VAL 43 -4.288 6.517 1.447 101 HA VAL 43 HA VAL 43 -4.689 7.418 4.207 102 HB VAL 43 HB VAL 43 -4.833 5.125 4.890 103 HG11 VAL 43 HG11 VAL 43 -6.458 5.630 2.390 104 HG12 VAL 43 HG12 VAL 43 -6.866 4.533 3.730 105 HG13 VAL 43 HG13 VAL 43 -6.784 6.274 4.007 106 HG21 VAL 43 HG21 VAL 43 -3.385 3.744 3.700 107 HG22 VAL 43 HG22 VAL 43 -4.955 3.196 3.160 108 HG23 VAL 43 HG23 VAL 43 -3.935 4.234 2.125 109 H ILE 44 H ILE 44 -2.128 5.395 2.669 110 HA ILE 44 HA ILE 44 -0.474 5.645 4.999 111 HB ILE 44 HB ILE 44 1.176 4.389 3.615 112 HG12 ILE 44 HG12 ILE 44 -1.104 4.518 1.545 113 HG13 ILE 44 HG13 ILE 44 0.540 5.176 1.369 114 HG21 ILE 44 HG21 ILE 44 -1.408 2.908 3.541 115 HG22 ILE 44 HG22 ILE 44 0.085 2.601 4.459 116 HG23 ILE 44 HG23 ILE 44 -1.081 3.761 5.057 117 HD11 ILE 44 HD11 ILE 44 -0.380 2.318 1.541 118 HD12 ILE 44 HD12 ILE 44 0.462 3.109 0.199 119 HD13 ILE 44 HD13 ILE 44 1.346 2.775 1.709 120 H TRP 45 H TRP 45 -0.554 7.688 2.217 121 HA TRP 45 HA TRP 45 1.951 8.980 2.513 122 HB2 TRP 45 HB2 TRP 45 0.618 9.913 0.813 123 HB3 TRP 45 HB3 TRP 45 -0.843 9.839 1.788 124 HD1 TRP 45 HD1 TRP 45 2.482 11.816 2.080 125 HE1 TRP 45 HE1 TRP 45 1.994 14.102 3.078 126 HE3 TRP 45 HE3 TRP 45 -2.609 11.455 2.518 127 HZ2 TRP 45 HZ2 TRP 45 -0.303 15.635 3.938 128 HZ3 TRP 45 HZ3 TRP 45 -3.919 13.332 3.491 129 HH2 TRP 45 HH2 TRP 45 -2.775 15.420 4.215 130 H SER 46 H SER 46 -0.837 8.920 4.751 131 HA SER 46 HA SER 46 0.224 11.415 6.034 132 HB2 SER 46 HB2 SER 46 -2.188 11.097 5.559 133 HB3 SER 46 HB3 SER 46 -2.229 9.871 6.865 134 HG SER 46 HG SER 46 -1.589 11.477 8.304 135 H LEU 47 H LEU 47 0.219 8.022 6.475 136 HA LEU 47 HA LEU 47 0.786 7.756 9.267 137 HB2 LEU 47 HB2 LEU 47 -0.179 6.211 7.315 138 HB3 LEU 47 HB3 LEU 47 1.521 5.856 7.049 139 HG LEU 47 HG LEU 47 1.508 5.495 9.722 140 HD11 LEU 47 HD11 LEU 47 -1.404 5.015 8.921 141 HD12 LEU 47 HD12 LEU 47 -0.684 4.724 10.516 142 HD13 LEU 47 HD13 LEU 47 -0.863 6.387 9.894 143 HD21 LEU 47 HD21 LEU 47 2.017 3.915 7.994 144 HD22 LEU 47 HD22 LEU 47 0.944 3.142 9.197 145 HD23 LEU 47 HD23 LEU 47 0.291 3.685 7.628 146 H GLY 48 H GLY 48 2.690 7.638 6.347 147 HA2 GLY 48 HA2 GLY 48 4.826 8.783 6.083 148 HA3 GLY 48 HA3 GLY 48 5.240 8.359 7.758 149 H GLU 49 H GLU 49 4.860 5.826 8.081 150 HA GLU 49 HA GLU 49 6.159 4.279 5.861 151 HB2 GLU 49 HB2 GLU 49 6.988 4.507 8.762 152 HB3 GLU 49 HB3 GLU 49 7.497 3.161 7.767 153 HG2 GLU 49 HG2 GLU 49 8.952 4.368 6.504 154 HG3 GLU 49 HG3 GLU 49 7.990 5.822 6.552 155 H ALA 50 H ALA 50 4.779 2.734 5.342 156 HA ALA 50 HA ALA 50 3.205 1.343 7.473 157 HB1 ALA 50 HB1 ALA 50 2.631 1.779 4.513 158 HB2 ALA 50 HB2 ALA 50 1.565 0.952 5.681 159 HB3 ALA 50 HB3 ALA 50 1.914 2.681 5.865 160 H ARG 51 H ARG 51 3.060 -0.915 7.381 161 HA ARG 51 HA ARG 51 5.231 -2.356 5.902 162 HB2 ARG 51 HB2 ARG 51 3.417 -3.191 8.226 163 HB3 ARG 51 HB3 ARG 51 4.475 -4.302 7.352 164 HG2 ARG 51 HG2 ARG 51 5.563 -3.695 9.358 165 HG3 ARG 51 HG3 ARG 51 6.465 -2.984 8.027 166 HD2 ARG 51 HD2 ARG 51 5.792 -0.782 8.578 167 HD3 ARG 51 HD3 ARG 51 4.440 -1.331 9.556 168 HE ARG 51 HE ARG 51 7.236 -1.062 10.385 169 HH11 ARG 51 HH11 ARG 51 4.087 -2.289 11.287 170 HH12 ARG 51 HH12 ARG 51 4.508 -2.366 12.945 171 HH21 ARG 51 HH21 ARG 51 7.704 -1.287 12.596 172 HH22 ARG 51 HH22 ARG 51 6.601 -2.200 13.582 173 H VAL 52 H VAL 52 4.456 -4.496 4.825 174 HA VAL 52 HA VAL 52 2.419 -3.866 3.040 175 HB VAL 52 HB VAL 52 3.419 -5.308 1.851 176 HG11 VAL 52 HG11 VAL 52 5.318 -5.129 3.412 177 HG12 VAL 52 HG12 VAL 52 4.688 -6.532 4.326 178 HG13 VAL 52 HG13 VAL 52 5.256 -6.734 2.642 179 HG21 VAL 52 HG21 VAL 52 1.636 -6.821 2.111 180 HG22 VAL 52 HG22 VAL 52 3.142 -7.741 2.049 181 HG23 VAL 52 HG23 VAL 52 2.313 -7.497 3.618 182 H ASP 53 H ASP 53 2.099 -5.867 5.882 183 HA ASP 53 HA ASP 53 -0.709 -6.494 5.309 184 HB2 ASP 53 HB2 ASP 53 -0.565 -7.895 6.979 185 HB3 ASP 53 HB3 ASP 53 1.157 -7.661 6.889 186 H GLU 54 H GLU 54 0.840 -3.696 6.298 187 HA GLU 54 HA GLU 54 -1.372 -2.539 7.882 188 HB2 GLU 54 HB2 GLU 54 1.300 -2.144 7.925 189 HB3 GLU 54 HB3 GLU 54 0.890 -0.912 6.763 190 HG2 GLU 54 HG2 GLU 54 -0.246 -1.232 9.570 191 HG3 GLU 54 HG3 GLU 54 1.092 -0.170 9.146 192 H ILE 55 H ILE 55 0.217 -1.966 4.708 193 HA ILE 55 HA ILE 55 -1.628 0.005 3.771 194 HB ILE 55 HB ILE 55 -0.803 -0.526 1.515 195 HG12 ILE 55 HG12 ILE 55 0.460 -2.798 2.994 196 HG13 ILE 55 HG13 ILE 55 -0.526 -2.916 1.518 197 HG21 ILE 55 HG21 ILE 55 1.450 -0.497 3.547 198 HG22 ILE 55 HG22 ILE 55 1.457 0.208 1.891 199 HG23 ILE 55 HG23 ILE 55 0.439 0.897 3.185 200 HD11 ILE 55 HD11 ILE 55 2.331 -2.053 1.933 201 HD12 ILE 55 HD12 ILE 55 1.739 -3.466 1.028 202 HD13 ILE 55 HD13 ILE 55 1.521 -1.813 0.372 203 H TYR 56 H TYR 56 -1.807 -3.544 3.326 204 HA TYR 56 HA TYR 56 -4.369 -3.549 2.100 205 HB2 TYR 56 HB2 TYR 56 -2.755 -5.396 2.215 206 HB3 TYR 56 HB3 TYR 56 -2.858 -5.448 3.958 207 HD1 TYR 56 HD2 TYR 56 -5.482 -5.282 1.271 208 HD2 TYR 56 HD1 TYR 56 -3.792 -7.398 4.558 209 HE1 TYR 56 HE2 TYR 56 -7.448 -6.851 1.220 210 HE2 TYR 56 HE1 TYR 56 -5.800 -8.970 4.580 211 HH TYR 56 HH TYR 56 -7.950 -9.347 3.660 212 H ALA 57 H ALA 57 -3.429 -3.432 5.533 213 HA ALA 57 HA ALA 57 -5.956 -3.998 6.681 214 HB1 ALA 57 HB1 ALA 57 -4.051 -1.940 7.831 215 HB2 ALA 57 HB2 ALA 57 -5.165 -2.997 8.676 216 HB3 ALA 57 HB3 ALA 57 -3.726 -3.702 7.895 217 H GLN 58 H GLN 58 -5.054 -1.063 4.879 218 HA GLN 58 HA GLN 58 -7.225 0.483 6.073 219 HB2 GLN 58 HB2 GLN 58 -5.575 1.054 3.606 220 HB3 GLN 58 HB3 GLN 58 -6.459 2.219 4.603 221 HG2 GLN 58 HG2 GLN 58 -3.923 0.657 5.248 222 HG3 GLN 58 HG3 GLN 58 -4.059 2.382 5.095 223 HE21 GLN 58 HE22 GLN 58 -2.965 0.954 7.313 224 HE22 GLN 58 HE21 GLN 58 -3.967 1.331 8.659 225 H ILE 59 H ILE 59 -7.229 -1.936 3.864 226 HA ILE 59 HA ILE 59 -9.513 -1.081 2.256 227 HB ILE 59 HB ILE 59 -7.785 -3.546 2.137 228 HG12 ILE 59 HG12 ILE 59 -7.620 -0.780 0.844 229 HG13 ILE 59 HG13 ILE 59 -6.422 -1.533 1.917 230 HG21 ILE 59 HG21 ILE 59 -9.459 -2.399 -0.091 231 HG22 ILE 59 HG22 ILE 59 -8.613 -3.953 -0.011 232 HG23 ILE 59 HG23 ILE 59 -10.041 -3.702 0.985 233 HD11 ILE 59 HD11 ILE 59 -7.059 -2.423 -0.900 234 HD12 ILE 59 HD12 ILE 59 -5.632 -1.561 -0.295 235 HD13 ILE 59 HD13 ILE 59 -5.967 -3.218 0.287 236 HA PRO 60 HA PRO 60 -12.106 -3.602 5.085 237 HB2 PRO 60 HB2 PRO 60 -14.323 -2.045 5.178 238 HB3 PRO 60 HB3 PRO 60 -12.799 -1.548 5.969 239 HG2 PRO 60 HG2 PRO 60 -13.803 -0.734 3.211 240 HG3 PRO 60 HG3 PRO 60 -13.262 0.338 4.548 241 HD2 PRO 60 HD2 PRO 60 -11.583 -0.438 2.541 242 HD3 PRO 60 HD3 PRO 60 -11.008 -0.229 4.225 243 H GLN 61 H GLN 61 -14.136 -4.715 4.942 244 HA GLN 61 HA GLN 61 -14.913 -5.925 2.530 245 HB2 GLN 61 HB2 GLN 61 -16.511 -5.613 5.091 246 HB3 GLN 61 HB3 GLN 61 -16.854 -6.748 3.805 247 HG2 GLN 61 HG2 GLN 61 -14.100 -7.132 4.544 248 HG3 GLN 61 HG3 GLN 61 -15.032 -7.031 6.042 249 HE21 GLN 61 HE22 GLN 61 -13.650 -9.290 4.391 250 HE22 GLN 61 HE21 GLN 61 -14.874 -10.553 4.443 251 H GLU 62 H GLU 62 -15.626 -2.649 3.095 252 HA GLU 62 HA GLU 62 -18.211 -2.695 1.666 253 HB2 GLU 62 HB2 GLU 62 -17.704 -0.940 3.303 254 HB3 GLU 62 HB3 GLU 62 -16.372 -0.354 2.292 255 HG2 GLU 62 HG2 GLU 62 -17.810 0.531 0.689 256 HG3 GLU 62 HG3 GLU 62 -19.093 -0.632 1.027 257 H LEU 63 H LEU 63 -14.868 -2.907 0.870 258 HA LEU 63 HA LEU 63 -15.231 -2.164 -1.986 259 HB2 LEU 63 HB2 LEU 63 -12.760 -2.996 -0.411 260 HB3 LEU 63 HB3 LEU 63 -12.784 -2.344 -2.048 261 HG LEU 63 HG LEU 63 -13.615 -0.847 0.495 262 HD11 LEU 63 HD11 LEU 63 -11.197 -0.608 -1.324 263 HD12 LEU 63 HD12 LEU 63 -11.607 0.492 0.029 264 HD13 LEU 63 HD13 LEU 63 -11.248 -1.218 0.357 265 HD21 LEU 63 HD21 LEU 63 -14.943 -0.097 -1.358 266 HD22 LEU 63 HD22 LEU 63 -13.673 1.114 -1.083 267 HD23 LEU 63 HD23 LEU 63 -13.525 -0.052 -2.434 268 H GLU 64 H GLU 64 -14.597 -4.874 0.012 269 HA GLU 64 HA GLU 64 -14.639 -7.157 -0.250 270 HB2 GLU 64 HB2 GLU 64 -16.315 -6.646 -2.734 271 HB3 GLU 64 HB3 GLU 64 -16.172 -8.152 -1.818 272 HG2 GLU 64 HG2 GLU 64 -16.960 -6.808 0.225 273 HG3 GLU 64 HG3 GLU 64 -17.454 -5.540 -0.917 274 H TRP 65 H TRP 65 -12.425 -5.653 -1.601 275 HA TRP 65 HA TRP 65 -11.413 -7.377 -3.720 276 HB2 TRP 65 HB2 TRP 65 -9.975 -5.431 -1.880 277 HB3 TRP 65 HB3 TRP 65 -9.298 -6.150 -3.328 278 HD1 TRP 65 HD1 TRP 65 -12.659 -5.130 -4.327 279 HE1 TRP 65 HE1 TRP 65 -12.708 -2.799 -5.340 280 HE3 TRP 65 HE3 TRP 65 -7.980 -3.580 -2.963 281 HZ2 TRP 65 HZ2 TRP 65 -10.902 -0.539 -5.629 282 HZ3 TRP 65 HZ3 TRP 65 -7.186 -1.309 -3.576 283 HH2 TRP 65 HH2 TRP 65 -8.629 0.207 -4.907 284 H SER 66 H SER 66 -9.410 -8.622 -3.575 285 HA SER 66 HA SER 66 -8.953 -10.063 -0.996 286 HB2 SER 66 HB2 SER 66 -9.258 -11.515 -2.897 287 HB3 SER 66 HB3 SER 66 -8.118 -10.572 -3.881 288 HG SER 66 HG SER 66 -7.275 -12.551 -2.990 289 H LEU 67 H LEU 67 -6.814 -10.198 -0.081 290 HA LEU 67 HA LEU 67 -5.124 -8.144 0.147 291 HB2 LEU 67 HB2 LEU 67 -5.377 -10.548 1.212 292 HB3 LEU 67 HB3 LEU 67 -4.115 -10.975 0.070 293 HG LEU 67 HG LEU 67 -4.080 -9.406 2.576 294 HD11 LEU 67 HD11 LEU 67 -1.984 -10.954 1.118 295 HD12 LEU 67 HD12 LEU 67 -1.921 -10.343 2.809 296 HD13 LEU 67 HD13 LEU 67 -3.133 -11.564 2.347 297 HD21 LEU 67 HD21 LEU 67 -3.432 -7.577 1.061 298 HD22 LEU 67 HD22 LEU 67 -2.096 -8.075 2.090 299 HD23 LEU 67 HD23 LEU 67 -2.187 -8.606 0.378 300 H ALA 68 H ALA 68 -4.858 -10.699 -2.354 301 HA ALA 68 HA ALA 68 -2.357 -9.969 -3.452 302 HB1 ALA 68 HB1 ALA 68 -4.795 -11.128 -4.867 303 HB2 ALA 68 HB2 ALA 68 -3.119 -11.187 -5.445 304 HB3 ALA 68 HB3 ALA 68 -3.573 -12.062 -3.976 305 H THR 69 H THR 69 -5.582 -8.565 -4.046 306 HA THR 69 HA THR 69 -4.899 -7.106 -6.375 307 HB THR 69 HB THR 69 -7.112 -6.473 -4.403 308 HG1 THR 69 HG1 THR 69 -8.270 -7.684 -6.054 309 HG21 THR 69 HG21 THR 69 -6.525 -5.758 -7.302 310 HG22 THR 69 HG22 THR 69 -8.135 -5.544 -6.536 311 HG23 THR 69 HG23 THR 69 -6.725 -4.640 -5.948 312 H VAL 70 H VAL 70 -4.967 -5.899 -2.884 313 HA VAL 70 HA VAL 70 -4.110 -3.324 -3.660 314 HB VAL 70 HB VAL 70 -4.921 -3.979 -1.384 315 HG11 VAL 70 HG11 VAL 70 -2.006 -4.601 -0.747 316 HG12 VAL 70 HG12 VAL 70 -3.361 -4.470 0.358 317 HG13 VAL 70 HG13 VAL 70 -3.335 -5.812 -0.777 318 HG21 VAL 70 HG21 VAL 70 -3.908 -1.814 -1.999 319 HG22 VAL 70 HG22 VAL 70 -3.450 -2.238 -0.315 320 HG23 VAL 70 HG23 VAL 70 -2.297 -2.459 -1.641 321 H LYS 71 H LYS 71 -2.221 -6.161 -2.774 322 HA LYS 71 HA LYS 71 0.333 -4.952 -2.789 323 HB2 LYS 71 HB2 LYS 71 -0.444 -7.820 -3.501 324 HB3 LYS 71 HB3 LYS 71 1.209 -7.249 -3.229 325 HG2 LYS 71 HG2 LYS 71 0.492 -6.464 -0.964 326 HG3 LYS 71 HG3 LYS 71 -1.062 -7.284 -1.198 327 HD2 LYS 71 HD2 LYS 71 0.175 -9.391 -1.733 328 HD3 LYS 71 HD3 LYS 71 1.686 -8.532 -1.416 329 HE2 LYS 71 HE2 LYS 71 0.579 -8.114 1.003 330 HE3 LYS 71 HE3 LYS 71 -0.396 -9.441 0.574 331 HZ1 LYS 71 HZ1 LYS 71 2.527 -9.731 0.266 332 HZ2 LYS 71 HZ2 LYS 71 1.794 -10.153 1.685 333 HZ3 LYS 71 HZ3 LYS 71 1.439 -10.901 0.280 334 H THR 72 H THR 72 -1.410 -6.404 -5.486 335 HA THR 72 HA THR 72 0.630 -5.555 -7.415 336 HB THR 72 HB THR 72 -0.777 -7.409 -8.019 337 HG1 THR 72 HG1 THR 72 -1.251 -6.693 -10.106 338 HG21 THR 72 HG21 THR 72 -3.069 -5.433 -8.346 339 HG22 THR 72 HG22 THR 72 -3.070 -7.174 -8.748 340 HG23 THR 72 HG23 THR 72 -2.916 -6.653 -7.065 341 H LEU 73 H LEU 73 -2.498 -3.930 -6.475 342 HA LEU 73 HA LEU 73 -2.296 -1.976 -8.540 343 HB2 LEU 73 HB2 LEU 73 -4.269 -2.915 -7.304 344 HB3 LEU 73 HB3 LEU 73 -3.724 -2.092 -5.850 345 HG LEU 73 HG LEU 73 -4.944 -0.923 -8.376 346 HD11 LEU 73 HD11 LEU 73 -5.647 -0.841 -5.401 347 HD12 LEU 73 HD12 LEU 73 -6.630 -0.184 -6.722 348 HD13 LEU 73 HD13 LEU 73 -6.386 -1.934 -6.581 349 HD21 LEU 73 HD21 LEU 73 -3.253 0.662 -7.852 350 HD22 LEU 73 HD22 LEU 73 -4.716 1.291 -7.074 351 HD23 LEU 73 HD23 LEU 73 -3.477 0.426 -6.109 352 H LEU 74 H LEU 74 -1.470 -1.891 -5.036 353 HA LEU 74 HA LEU 74 -0.522 0.755 -4.840 354 HB2 LEU 74 HB2 LEU 74 -1.443 -0.607 -3.113 355 HB3 LEU 74 HB3 LEU 74 -0.092 -1.750 -3.253 356 HG LEU 74 HG LEU 74 0.336 1.191 -2.583 357 HD11 LEU 74 HD11 LEU 74 -0.114 -1.316 -0.960 358 HD12 LEU 74 HD12 LEU 74 0.500 0.249 -0.291 359 HD13 LEU 74 HD13 LEU 74 -1.152 0.146 -0.956 360 HD21 LEU 74 HD21 LEU 74 2.414 0.166 -3.146 361 HD22 LEU 74 HD22 LEU 74 2.335 -0.029 -1.372 362 HD23 LEU 74 HD23 LEU 74 1.925 -1.394 -2.460 363 H GLY 75 H GLY 75 0.984 -2.445 -5.226 364 HA2 GLY 75 HA2 GLY 75 3.688 -1.876 -5.699 365 HA3 GLY 75 HA3 GLY 75 2.770 -3.159 -6.476 366 H ARG 76 H ARG 76 0.972 -1.203 -7.881 367 HA ARG 76 HA ARG 76 2.755 -0.683 -10.222 368 HB2 ARG 76 HB2 ARG 76 -0.239 -0.305 -9.975 369 HB3 ARG 76 HB3 ARG 76 0.720 -0.057 -11.437 370 HG2 ARG 76 HG2 ARG 76 1.333 -2.708 -10.623 371 HG3 ARG 76 HG3 ARG 76 -0.401 -2.545 -10.379 372 HD2 ARG 76 HD2 ARG 76 1.068 -1.980 -12.988 373 HD3 ARG 76 HD3 ARG 76 0.206 -3.475 -12.587 374 HE ARG 76 HE ARG 76 -1.663 -1.425 -12.222 375 HH11 ARG 76 HH11 ARG 76 -0.139 -3.009 -15.001 376 HH12 ARG 76 HH12 ARG 76 -1.185 -2.177 -16.103 377 HH21 ARG 76 HH21 ARG 76 -3.087 -0.703 -13.672 378 HH22 ARG 76 HH22 ARG 76 -2.825 -0.920 -15.374 379 H LEU 77 H LEU 77 0.898 1.118 -7.724 380 HA LEU 77 HA LEU 77 1.562 3.748 -8.720 381 HB2 LEU 77 HB2 LEU 77 1.853 3.151 -5.791 382 HB3 LEU 77 HB3 LEU 77 1.193 4.578 -6.570 383 HG LEU 77 HG LEU 77 -0.141 1.901 -6.366 384 HD11 LEU 77 HD11 LEU 77 -0.588 4.435 -4.779 385 HD12 LEU 77 HD12 LEU 77 -1.474 2.896 -4.605 386 HD13 LEU 77 HD13 LEU 77 0.239 2.958 -4.216 387 HD21 LEU 77 HD21 LEU 77 -1.001 2.847 -8.196 388 HD22 LEU 77 HD22 LEU 77 -2.200 3.134 -6.885 389 HD23 LEU 77 HD23 LEU 77 -1.126 4.478 -7.447 390 H VAL 78 H VAL 78 3.232 1.487 -6.654 391 HA VAL 78 HA VAL 78 5.534 3.216 -6.213 392 HB VAL 78 HB VAL 78 6.481 1.840 -4.813 393 HG11 VAL 78 HG11 VAL 78 5.180 0.322 -3.523 394 HG12 VAL 78 HG12 VAL 78 4.064 1.615 -4.031 395 HG13 VAL 78 HG13 VAL 78 4.046 0.059 -4.846 396 HG21 VAL 78 HG21 VAL 78 7.420 0.248 -6.343 397 HG22 VAL 78 HG22 VAL 78 6.766 -0.595 -4.952 398 HG23 VAL 78 HG23 VAL 78 5.849 -0.595 -6.466 399 H LYS 79 H LYS 79 5.084 0.610 -8.613 400 HA LYS 79 HA LYS 79 7.620 1.150 -9.900 401 HB2 LYS 79 HB2 LYS 79 5.100 -0.387 -10.722 402 HB3 LYS 79 HB3 LYS 79 6.481 -0.240 -11.795 403 HG2 LYS 79 HG2 LYS 79 6.424 -1.606 -9.091 404 HG3 LYS 79 HG3 LYS 79 6.672 -2.327 -10.674 405 HD2 LYS 79 HD2 LYS 79 8.540 -0.483 -9.139 406 HD3 LYS 79 HD3 LYS 79 8.789 -2.216 -9.502 407 HE2 LYS 79 HE2 LYS 79 8.511 -1.455 -12.001 408 HE3 LYS 79 HE3 LYS 79 8.845 0.164 -11.400 409 HZ1 LYS 79 HZ1 LYS 79 10.611 -2.210 -11.280 410 HZ2 LYS 79 HZ2 LYS 79 10.814 -0.863 -12.210 411 HZ3 LYS 79 HZ3 LYS 79 11.039 -0.763 -10.589 412 H LYS 80 H LYS 80 4.916 2.928 -9.956 413 HA LYS 80 HA LYS 80 5.720 4.383 -12.459 414 HB2 LYS 80 HB2 LYS 80 3.159 4.575 -10.843 415 HB3 LYS 80 HB3 LYS 80 3.667 5.796 -12.012 416 HG2 LYS 80 HG2 LYS 80 3.813 3.902 -13.748 417 HG3 LYS 80 HG3 LYS 80 2.865 2.945 -12.592 418 HD2 LYS 80 HD2 LYS 80 1.180 4.873 -12.559 419 HD3 LYS 80 HD3 LYS 80 2.123 5.627 -13.856 420 HE2 LYS 80 HE2 LYS 80 1.738 3.548 -15.253 421 HE3 LYS 80 HE3 LYS 80 0.688 2.940 -13.962 422 HZ1 LYS 80 HZ1 LYS 80 0.108 4.915 -15.974 423 HZ2 LYS 80 HZ2 LYS 80 -0.948 4.086 -15.013 424 HZ3 LYS 80 HZ3 LYS 80 -0.242 5.477 -14.496 425 H GLU 81 H GLU 81 4.282 6.338 -10.150 426 HA GLU 81 HA GLU 81 6.878 7.510 -9.299 427 HB2 GLU 81 HB2 GLU 81 6.263 9.645 -10.412 428 HB3 GLU 81 HB3 GLU 81 6.536 8.338 -11.511 429 HG2 GLU 81 HG2 GLU 81 3.697 8.390 -10.922 430 HG3 GLU 81 HG3 GLU 81 4.215 10.032 -11.223 431 H MET 82 H MET 82 4.186 6.532 -7.781 432 HA MET 82 HA MET 82 3.583 9.170 -6.472 433 HB2 MET 82 HB2 MET 82 2.021 6.585 -6.237 434 HB3 MET 82 HB3 MET 82 1.517 8.212 -5.762 435 HG2 MET 82 HG2 MET 82 1.579 8.878 -8.163 436 HG3 MET 82 HG3 MET 82 1.992 7.207 -8.589 437 HE1 MET 82 HE1 MET 82 -0.113 7.509 -10.314 438 HE2 MET 82 HE2 MET 82 -1.782 7.801 -9.759 439 HE3 MET 82 HE3 MET 82 -0.559 9.084 -9.605 440 H LEU 83 H LEU 83 4.552 5.880 -5.767 441 HA LEU 83 HA LEU 83 5.139 6.498 -2.962 442 HB2 LEU 83 HB2 LEU 83 4.253 3.843 -4.218 443 HB3 LEU 83 HB3 LEU 83 4.624 4.160 -2.370 444 HG LEU 83 HG LEU 83 2.141 4.896 -4.017 445 HD11 LEU 83 HD11 LEU 83 2.617 3.644 -1.301 446 HD12 LEU 83 HD12 LEU 83 1.051 3.793 -2.119 447 HD13 LEU 83 HD13 LEU 83 2.316 2.730 -2.792 448 HD21 LEU 83 HD21 LEU 83 2.652 6.942 -3.018 449 HD22 LEU 83 HD22 LEU 83 1.387 6.172 -1.991 450 HD23 LEU 83 HD23 LEU 83 3.054 6.127 -1.503 451 H SER 84 H SER 84 6.717 4.935 -1.967 452 HA SER 84 HA SER 84 8.195 3.223 -3.796 453 HB2 SER 84 HB2 SER 84 9.808 5.356 -2.415 454 HB3 SER 84 HB3 SER 84 10.447 3.870 -3.124 455 HG SER 84 HG SER 84 8.797 5.227 -4.838 456 H THR 85 H THR 85 9.788 1.822 -2.632 457 HA THR 85 HA THR 85 9.028 1.468 0.199 458 HB THR 85 HB THR 85 7.206 0.541 -0.987 459 HG1 THR 85 HG1 THR 85 7.187 -1.451 -0.175 460 HG21 THR 85 HG21 THR 85 8.953 -1.430 -2.431 461 HG22 THR 85 HG22 THR 85 7.225 -0.977 -2.731 462 HG23 THR 85 HG23 THR 85 8.525 0.128 -3.174 463 H GLU 86 H GLU 86 10.358 0.338 1.372 464 HA GLU 86 HA GLU 86 12.992 -0.545 0.205 465 HB2 GLU 86 HB2 GLU 86 12.503 0.990 2.793 466 HB3 GLU 86 HB3 GLU 86 14.071 0.460 2.167 467 HG2 GLU 86 HG2 GLU 86 13.667 1.894 0.133 468 HG3 GLU 86 HG3 GLU 86 12.226 2.535 0.912 469 H LYS 87 H LYS 87 14.190 -2.222 1.397 470 HA LYS 87 HA LYS 87 12.553 -4.149 2.837 471 HB2 LYS 87 HB2 LYS 87 14.442 -4.611 1.181 472 HB3 LYS 87 HB3 LYS 87 15.569 -4.041 2.421 473 HG2 LYS 87 HG2 LYS 87 14.530 -5.852 3.963 474 HG3 LYS 87 HG3 LYS 87 13.678 -6.422 2.511 475 HD2 LYS 87 HD2 LYS 87 16.052 -6.442 1.411 476 HD3 LYS 87 HD3 LYS 87 16.663 -6.304 3.072 477 HE2 LYS 87 HE2 LYS 87 14.596 -8.281 3.028 478 HE3 LYS 87 HE3 LYS 87 15.611 -8.570 1.605 479 HZ1 LYS 87 HZ1 LYS 87 16.351 -8.764 4.449 480 HZ2 LYS 87 HZ2 LYS 87 16.688 -9.823 3.272 481 HZ3 LYS 87 HZ3 LYS 87 17.534 -8.400 3.389 482 H GLU 88 H GLU 88 12.259 -4.242 4.974 483 HA GLU 88 HA GLU 88 14.379 -3.241 6.838 484 HB2 GLU 88 HB2 GLU 88 11.510 -2.681 6.714 485 HB3 GLU 88 HB3 GLU 88 11.959 -3.324 8.271 486 HG2 GLU 88 HG2 GLU 88 13.310 -0.958 6.893 487 HG3 GLU 88 HG3 GLU 88 12.089 -0.844 8.166 488 H GLY 89 H GLY 89 15.483 -5.104 6.873 489 HA2 GLY 89 HA2 GLY 89 16.160 -7.163 7.656 490 HA3 GLY 89 HA3 GLY 89 14.699 -7.241 8.626 491 H ARG 90 H ARG 90 12.695 -7.740 7.351 492 HA ARG 90 HA ARG 90 13.044 -9.554 4.994 493 HB2 ARG 90 HB2 ARG 90 13.260 -11.006 6.963 494 HB3 ARG 90 HB3 ARG 90 11.724 -10.407 7.607 495 HG2 ARG 90 HG2 ARG 90 10.488 -11.434 5.760 496 HG3 ARG 90 HG3 ARG 90 12.000 -11.922 4.969 497 HD2 ARG 90 HD2 ARG 90 12.527 -13.467 6.789 498 HD3 ARG 90 HD3 ARG 90 11.191 -12.843 7.759 499 HE ARG 90 HE ARG 90 9.646 -14.080 6.566 500 HH11 ARG 90 HH11 ARG 90 12.739 -14.526 4.895 501 HH12 ARG 90 HH12 ARG 90 12.059 -15.780 3.903 502 HH21 ARG 90 HH21 ARG 90 8.938 -15.766 5.210 503 HH22 ARG 90 HH22 ARG 90 10.046 -16.410 4.066 504 H LYS 91 H LYS 91 10.868 -7.669 7.075 505 HA LYS 91 HA LYS 91 8.585 -7.714 5.361 506 HB2 LYS 91 HB2 LYS 91 9.073 -7.204 7.965 507 HB3 LYS 91 HB3 LYS 91 9.431 -5.589 7.385 508 HG2 LYS 91 HG2 LYS 91 7.257 -5.161 7.589 509 HG3 LYS 91 HG3 LYS 91 7.003 -6.162 6.159 510 HD2 LYS 91 HD2 LYS 91 5.474 -6.941 7.836 511 HD3 LYS 91 HD3 LYS 91 6.763 -8.162 7.683 512 HE2 LYS 91 HE2 LYS 91 7.840 -7.413 9.720 513 HE3 LYS 91 HE3 LYS 91 6.813 -5.975 9.809 514 HZ1 LYS 91 HZ1 LYS 91 5.755 -8.743 10.063 515 HZ2 LYS 91 HZ2 LYS 91 6.102 -7.797 11.327 516 HZ3 LYS 91 HZ3 LYS 91 4.916 -7.386 10.276 517 H PHE 92 H PHE 92 7.839 -5.933 4.114 518 HA PHE 92 HA PHE 92 9.871 -4.032 3.002 519 HB2 PHE 92 HB2 PHE 92 7.122 -4.941 2.129 520 HB3 PHE 92 HB3 PHE 92 7.782 -3.398 1.592 521 HD1 PHE 92 HD2 PHE 92 9.896 -3.252 0.369 522 HD2 PHE 92 HD1 PHE 92 7.977 -6.991 1.268 523 HE1 PHE 92 HE2 PHE 92 11.306 -4.345 -1.330 524 HE2 PHE 92 HE1 PHE 92 9.414 -8.140 -0.461 525 HZ PHE 92 HZ PHE 92 11.076 -6.806 -1.758 526 H VAL 93 H VAL 93 9.539 -1.824 3.153 527 HA VAL 93 HA VAL 93 7.239 -0.833 4.783 528 HB VAL 93 HB VAL 93 10.146 0.049 4.835 529 HG11 VAL 93 HG11 VAL 93 7.686 1.522 5.879 530 HG12 VAL 93 HG12 VAL 93 9.373 1.928 6.276 531 HG13 VAL 93 HG13 VAL 93 8.800 2.095 4.607 532 HG21 VAL 93 HG21 VAL 93 9.562 -1.779 6.324 533 HG22 VAL 93 HG22 VAL 93 9.729 -0.305 7.299 534 HG23 VAL 93 HG23 VAL 93 8.101 -0.922 6.890 535 H TYR 94 H TYR 94 6.068 0.627 3.881 536 HA TYR 94 HA TYR 94 6.728 1.591 1.146 537 HB2 TYR 94 HB2 TYR 94 4.133 0.836 2.556 538 HB3 TYR 94 HB3 TYR 94 4.216 1.555 0.960 539 HD1 TYR 94 HD1 TYR 94 4.977 -1.629 2.910 540 HD2 TYR 94 HD2 TYR 94 4.793 0.296 -0.974 541 HE1 TYR 94 HE1 TYR 94 5.111 -3.799 1.801 542 HE2 TYR 94 HE2 TYR 94 4.992 -1.944 -2.061 543 HH TYR 94 HH TYR 94 5.381 -4.934 -0.151 544 H ARG 95 H ARG 95 7.238 3.652 1.124 545 HA ARG 95 HA ARG 95 5.779 5.631 2.875 546 HB2 ARG 95 HB2 ARG 95 8.437 5.921 1.408 547 HB3 ARG 95 HB3 ARG 95 7.645 7.185 2.322 548 HG2 ARG 95 HG2 ARG 95 7.780 5.313 4.280 549 HG3 ARG 95 HG3 ARG 95 9.139 4.799 3.287 550 HD2 ARG 95 HD2 ARG 95 9.724 7.431 3.315 551 HD3 ARG 95 HD3 ARG 95 8.693 7.428 4.739 552 HE ARG 95 HE ARG 95 10.393 6.417 5.948 553 HH11 ARG 95 HH11 ARG 95 11.248 6.202 2.531 554 HH12 ARG 95 HH12 ARG 95 12.586 5.086 2.877 555 HH21 ARG 95 HH21 ARG 95 12.240 5.032 6.188 556 HH22 ARG 95 HH22 ARG 95 13.086 4.509 4.712 557 HA PRO 96 HA PRO 96 4.176 7.786 -0.806 558 HB2 PRO 96 HB2 PRO 96 4.132 10.379 0.027 559 HB3 PRO 96 HB3 PRO 96 2.974 9.150 0.616 560 HG2 PRO 96 HG2 PRO 96 5.572 10.059 1.928 561 HG3 PRO 96 HG3 PRO 96 3.961 9.959 2.685 562 HD2 PRO 96 HD2 PRO 96 5.746 7.974 2.979 563 HD3 PRO 96 HD3 PRO 96 4.030 7.582 2.723 564 H LEU 97 H LEU 97 4.936 9.085 -2.525 565 HA LEU 97 HA LEU 97 7.560 10.356 -2.397 566 HB2 LEU 97 HB2 LEU 97 6.797 7.918 -3.745 567 HB3 LEU 97 HB3 LEU 97 6.972 9.128 -4.986 568 HG LEU 97 HG LEU 97 9.003 7.910 -4.749 569 HD11 LEU 97 HD11 LEU 97 9.334 10.673 -3.533 570 HD12 LEU 97 HD12 LEU 97 10.591 9.742 -4.375 571 HD13 LEU 97 HD13 LEU 97 9.150 10.322 -5.250 572 HD21 LEU 97 HD21 LEU 97 8.535 7.316 -2.323 573 HD22 LEU 97 HD22 LEU 97 10.240 7.666 -2.741 574 HD23 LEU 97 HD23 LEU 97 9.235 8.869 -1.888 575 H MET 98 H MET 98 4.237 10.829 -3.238 576 HA MET 98 HA MET 98 4.932 13.325 -4.617 577 HB2 MET 98 HB2 MET 98 4.829 11.483 -6.347 578 HB3 MET 98 HB3 MET 98 3.128 11.258 -5.935 579 HG2 MET 98 HG2 MET 98 3.548 12.596 -7.994 580 HG3 MET 98 HG3 MET 98 2.558 13.421 -6.797 581 HE1 MET 98 HE1 MET 98 2.807 15.801 -7.817 582 HE2 MET 98 HE2 MET 98 4.348 16.463 -8.418 583 HE3 MET 98 HE3 MET 98 3.641 15.019 -9.183 584 H GLU 99 H GLU 99 3.001 14.604 -5.166 585 HA GLU 99 HA GLU 99 0.946 14.622 -2.994 586 HB2 GLU 99 HB2 GLU 99 2.571 16.908 -4.193 587 HB3 GLU 99 HB3 GLU 99 1.264 17.114 -3.017 588 HG2 GLU 99 HG2 GLU 99 2.537 16.021 -1.283 589 HG3 GLU 99 HG3 GLU 99 3.790 15.522 -2.406 Start of MODEL 15 1 H PHE 31 H1 PHE 31 -23.906 11.232 -11.898 2 HA PHE 31 HA PHE 31 -22.997 10.329 -13.811 3 HB2 PHE 31 HB2 PHE 31 -20.662 11.133 -14.551 4 HB3 PHE 31 HB3 PHE 31 -22.099 12.018 -15.024 5 HD1 PHE 31 HD2 PHE 31 -19.851 12.172 -11.925 6 HD2 PHE 31 HD1 PHE 31 -21.646 14.257 -15.265 7 HE1 PHE 31 HE2 PHE 31 -18.877 14.291 -11.131 8 HE2 PHE 31 HE1 PHE 31 -20.618 16.368 -14.492 9 HZ PHE 31 HZ PHE 31 -19.240 16.395 -12.402 10 H ASN 32 H ASN 32 -21.057 8.782 -13.894 11 HA ASN 32 HA ASN 32 -20.596 7.939 -11.065 12 HB2 ASN 32 HB2 ASN 32 -20.947 6.191 -13.529 13 HB3 ASN 32 HB3 ASN 32 -20.966 5.679 -11.841 14 HD21 ASN 32 HD22 ASN 32 -23.052 5.788 -14.236 15 HD22 ASN 32 HD21 ASN 32 -24.423 6.627 -13.493 16 H VAL 33 H VAL 33 -18.528 9.524 -12.312 17 HA VAL 33 HA VAL 33 -16.346 7.930 -13.279 18 HB VAL 33 HB VAL 33 -16.424 10.325 -13.600 19 HG11 VAL 33 HG11 VAL 33 -15.982 10.662 -10.606 20 HG12 VAL 33 HG12 VAL 33 -15.948 11.948 -11.824 21 HG13 VAL 33 HG13 VAL 33 -17.461 11.092 -11.491 22 HG21 VAL 33 HG21 VAL 33 -14.217 9.176 -13.580 23 HG22 VAL 33 HG22 VAL 33 -14.121 10.880 -13.112 24 HG23 VAL 33 HG23 VAL 33 -14.023 9.627 -11.867 25 H SER 34 H SER 34 -14.703 6.797 -12.239 26 HA SER 34 HA SER 34 -14.443 6.775 -9.315 27 HB2 SER 34 HB2 SER 34 -16.431 5.353 -9.641 28 HB3 SER 34 HB3 SER 34 -15.539 4.354 -10.802 29 HG SER 34 HG SER 34 -15.538 3.444 -8.705 30 H ASN 35 H ASN 35 -12.379 6.249 -8.797 31 HA ASN 35 HA ASN 35 -10.589 4.820 -10.697 32 HB2 ASN 35 HB2 ASN 35 -10.257 7.676 -9.660 33 HB3 ASN 35 HB3 ASN 35 -8.904 6.719 -10.226 34 HD21 ASN 35 HD22 ASN 35 -10.960 9.117 -11.247 35 HD22 ASN 35 HD21 ASN 35 -10.858 8.757 -12.968 36 H ALA 36 H ALA 36 -9.297 3.433 -9.548 37 HA ALA 36 HA ALA 36 -9.382 3.085 -6.741 38 HB1 ALA 36 HB1 ALA 36 -7.272 2.226 -8.783 39 HB2 ALA 36 HB2 ALA 36 -7.408 1.591 -7.138 40 HB3 ALA 36 HB3 ALA 36 -8.723 1.308 -8.304 41 H GLU 37 H GLU 37 -7.316 5.141 -8.625 42 HA GLU 37 HA GLU 37 -5.159 5.656 -6.865 43 HB2 GLU 37 HB2 GLU 37 -6.271 7.451 -9.063 44 HB3 GLU 37 HB3 GLU 37 -4.646 7.479 -8.361 45 HG2 GLU 37 HG2 GLU 37 -4.619 4.929 -9.168 46 HG3 GLU 37 HG3 GLU 37 -5.875 5.493 -10.271 47 H LEU 38 H LEU 38 -7.474 5.895 -5.215 48 HA LEU 38 HA LEU 38 -6.986 8.633 -4.173 49 HB2 LEU 38 HB2 LEU 38 -9.205 8.317 -5.529 50 HB3 LEU 38 HB3 LEU 38 -9.772 7.423 -4.133 51 HG LEU 38 HG LEU 38 -10.562 9.714 -4.136 52 HD11 LEU 38 HD11 LEU 38 -8.502 9.588 -1.906 53 HD12 LEU 38 HD12 LEU 38 -10.045 10.460 -1.941 54 HD13 LEU 38 HD13 LEU 38 -10.045 8.687 -1.902 55 HD21 LEU 38 HD21 LEU 38 -8.688 10.723 -5.414 56 HD22 LEU 38 HD22 LEU 38 -9.119 11.648 -3.964 57 HD23 LEU 38 HD23 LEU 38 -7.667 10.642 -3.962 58 H ILE 39 H ILE 39 -8.405 5.401 -3.366 59 HA ILE 39 HA ILE 39 -8.247 5.718 -0.528 60 HB ILE 39 HB ILE 39 -8.204 3.219 -2.242 61 HG12 ILE 39 HG12 ILE 39 -10.370 4.742 -0.713 62 HG13 ILE 39 HG13 ILE 39 -10.230 4.574 -2.462 63 HG21 ILE 39 HG21 ILE 39 -8.610 3.443 0.778 64 HG22 ILE 39 HG22 ILE 39 -8.722 1.959 -0.193 65 HG23 ILE 39 HG23 ILE 39 -7.173 2.748 -0.002 66 HD11 ILE 39 HD11 ILE 39 -10.938 2.418 -0.467 67 HD12 ILE 39 HD12 ILE 39 -11.951 3.109 -1.741 68 HD13 ILE 39 HD13 ILE 39 -10.561 2.089 -2.182 69 H VAL 40 H VAL 40 -6.065 3.960 -2.711 70 HA VAL 40 HA VAL 40 -3.908 3.578 -0.830 71 HB VAL 40 HB VAL 40 -2.700 2.771 -2.846 72 HG11 VAL 40 HG11 VAL 40 -5.576 1.724 -2.714 73 HG12 VAL 40 HG12 VAL 40 -4.174 0.865 -3.357 74 HG13 VAL 40 HG13 VAL 40 -4.253 1.251 -1.636 75 HG21 VAL 40 HG21 VAL 40 -3.564 4.329 -4.566 76 HG22 VAL 40 HG22 VAL 40 -3.892 2.659 -5.039 77 HG23 VAL 40 HG23 VAL 40 -5.194 3.648 -4.396 78 H MET 41 H MET 41 -4.709 6.300 -2.811 79 HA MET 41 HA MET 41 -2.087 7.581 -2.614 80 HB2 MET 41 HB2 MET 41 -3.786 7.926 -4.466 81 HB3 MET 41 HB3 MET 41 -4.797 8.791 -3.303 82 HG2 MET 41 HG2 MET 41 -3.096 10.506 -3.033 83 HG3 MET 41 HG3 MET 41 -1.937 9.561 -3.970 84 HE1 MET 41 HE1 MET 41 -1.276 11.480 -5.572 85 HE2 MET 41 HE2 MET 41 -2.453 12.585 -6.315 86 HE3 MET 41 HE3 MET 41 -2.280 12.535 -4.548 87 H ARG 42 H ARG 42 -4.655 7.036 -0.388 88 HA ARG 42 HA ARG 42 -3.927 9.458 1.223 89 HB2 ARG 42 HB2 ARG 42 -6.086 9.365 -0.031 90 HB3 ARG 42 HB3 ARG 42 -6.588 8.012 0.993 91 HG2 ARG 42 HG2 ARG 42 -6.543 9.495 2.974 92 HG3 ARG 42 HG3 ARG 42 -5.904 10.826 1.978 93 HD2 ARG 42 HD2 ARG 42 -7.890 10.639 0.485 94 HD3 ARG 42 HD3 ARG 42 -8.537 9.361 1.527 95 HE ARG 42 HE ARG 42 -8.202 11.532 3.233 96 HH11 ARG 42 HH11 ARG 42 -10.088 10.759 0.410 97 HH12 ARG 42 HH12 ARG 42 -11.388 11.833 0.835 98 HH21 ARG 42 HH21 ARG 42 -9.972 12.906 3.783 99 HH22 ARG 42 HH22 ARG 42 -11.372 12.816 2.794 100 H VAL 43 H VAL 43 -4.673 5.967 1.611 101 HA VAL 43 HA VAL 43 -4.583 5.893 4.448 102 HB VAL 43 HB VAL 43 -5.102 3.835 3.674 103 HG11 VAL 43 HG11 VAL 43 -3.725 2.513 1.950 104 HG12 VAL 43 HG12 VAL 43 -4.766 3.801 1.397 105 HG13 VAL 43 HG13 VAL 43 -3.013 4.084 1.502 106 HG21 VAL 43 HG21 VAL 43 -3.161 3.590 5.310 107 HG22 VAL 43 HG22 VAL 43 -3.473 2.188 4.259 108 HG23 VAL 43 HG23 VAL 43 -2.122 3.293 3.932 109 H ILE 44 H ILE 44 -1.739 5.471 2.317 110 HA ILE 44 HA ILE 44 -0.017 5.248 4.581 111 HB ILE 44 HB ILE 44 0.650 5.718 1.652 112 HG12 ILE 44 HG12 ILE 44 0.395 3.139 3.274 113 HG13 ILE 44 HG13 ILE 44 -0.857 3.741 2.226 114 HG21 ILE 44 HG21 ILE 44 2.332 4.747 4.010 115 HG22 ILE 44 HG22 ILE 44 2.842 4.618 2.307 116 HG23 ILE 44 HG23 ILE 44 2.589 6.202 3.044 117 HD11 ILE 44 HD11 ILE 44 1.861 2.818 1.284 118 HD12 ILE 44 HD12 ILE 44 0.262 2.125 0.932 119 HD13 ILE 44 HD13 ILE 44 0.682 3.708 0.275 120 H TRP 45 H TRP 45 -0.895 7.980 2.709 121 HA TRP 45 HA TRP 45 1.297 9.772 3.119 122 HB2 TRP 45 HB2 TRP 45 -0.257 10.341 1.467 123 HB3 TRP 45 HB3 TRP 45 -1.632 10.009 2.492 124 HD1 TRP 45 HD1 TRP 45 0.863 12.583 3.826 125 HE1 TRP 45 HE1 TRP 45 -0.428 14.743 4.131 126 HE3 TRP 45 HE3 TRP 45 -3.217 11.516 0.929 127 HZ2 TRP 45 HZ2 TRP 45 -2.793 16.002 3.047 128 HZ3 TRP 45 HZ3 TRP 45 -4.952 13.247 0.540 129 HH2 TRP 45 HH2 TRP 45 -4.759 15.485 1.599 130 H SER 46 H SER 46 -1.238 8.806 5.293 131 HA SER 46 HA SER 46 -0.704 11.065 7.195 132 HB2 SER 46 HB2 SER 46 -3.001 10.485 6.866 133 HB3 SER 46 HB3 SER 46 -2.683 8.772 7.318 134 HG SER 46 HG SER 46 -3.369 10.645 8.943 135 H LEU 47 H LEU 47 -0.190 7.619 6.919 136 HA LEU 47 HA LEU 47 0.662 6.969 9.562 137 HB2 LEU 47 HB2 LEU 47 -0.329 5.670 7.456 138 HB3 LEU 47 HB3 LEU 47 1.355 5.557 6.995 139 HG LEU 47 HG LEU 47 1.625 4.748 9.571 140 HD11 LEU 47 HD11 LEU 47 -1.250 4.007 8.833 141 HD12 LEU 47 HD12 LEU 47 -0.377 3.525 10.303 142 HD13 LEU 47 HD13 LEU 47 -0.799 5.238 10.033 143 HD21 LEU 47 HD21 LEU 47 2.203 3.566 7.594 144 HD22 LEU 47 HD22 LEU 47 1.288 2.460 8.673 145 HD23 LEU 47 HD23 LEU 47 0.492 3.198 7.243 146 H GLY 48 H GLY 48 2.279 7.563 6.540 147 HA2 GLY 48 HA2 GLY 48 4.314 8.900 6.320 148 HA3 GLY 48 HA3 GLY 48 4.881 8.265 7.869 149 H GLU 49 H GLU 49 4.866 5.683 7.828 150 HA GLU 49 HA GLU 49 5.795 4.652 5.217 151 HB2 GLU 49 HB2 GLU 49 7.889 4.022 5.949 152 HB3 GLU 49 HB3 GLU 49 7.717 5.690 6.412 153 HG2 GLU 49 HG2 GLU 49 7.188 4.815 8.783 154 HG3 GLU 49 HG3 GLU 49 7.726 3.234 8.170 155 H ALA 50 H ALA 50 4.677 2.953 4.789 156 HA ALA 50 HA ALA 50 3.284 1.553 6.998 157 HB1 ALA 50 HB1 ALA 50 2.734 1.664 4.006 158 HB2 ALA 50 HB2 ALA 50 1.677 0.961 5.256 159 HB3 ALA 50 HB3 ALA 50 1.991 2.704 5.239 160 H ARG 51 H ARG 51 3.278 -0.563 7.322 161 HA ARG 51 HA ARG 51 5.352 -2.311 6.121 162 HB2 ARG 51 HB2 ARG 51 3.428 -2.543 8.488 163 HB3 ARG 51 HB3 ARG 51 4.110 -3.979 7.766 164 HG2 ARG 51 HG2 ARG 51 5.483 -3.457 9.601 165 HG3 ARG 51 HG3 ARG 51 6.402 -3.109 8.136 166 HD2 ARG 51 HD2 ARG 51 5.862 -0.679 8.436 167 HD3 ARG 51 HD3 ARG 51 5.043 -1.076 9.966 168 HE ARG 51 HE ARG 51 7.430 -2.167 10.470 169 HH11 ARG 51 HH11 ARG 51 6.804 1.053 9.246 170 HH12 ARG 51 HH12 ARG 51 8.480 1.511 9.417 171 HH21 ARG 51 HH21 ARG 51 9.471 -1.535 10.666 172 HH22 ARG 51 HH22 ARG 51 9.939 0.108 10.359 173 H VAL 52 H VAL 52 4.629 -4.331 5.041 174 HA VAL 52 HA VAL 52 2.550 -3.855 3.344 175 HB VAL 52 HB VAL 52 3.218 -5.469 2.122 176 HG11 VAL 52 HG11 VAL 52 5.205 -6.139 4.321 177 HG12 VAL 52 HG12 VAL 52 5.425 -6.343 2.558 178 HG13 VAL 52 HG13 VAL 52 5.318 -4.709 3.270 179 HG21 VAL 52 HG21 VAL 52 1.896 -7.145 2.890 180 HG22 VAL 52 HG22 VAL 52 3.538 -7.849 2.881 181 HG23 VAL 52 HG23 VAL 52 2.803 -7.327 4.441 182 H ASP 53 H ASP 53 2.248 -5.583 6.276 183 HA ASP 53 HA ASP 53 -0.463 -6.545 5.955 184 HB2 ASP 53 HB2 ASP 53 0.685 -7.598 7.606 185 HB3 ASP 53 HB3 ASP 53 1.613 -6.194 8.046 186 H GLU 54 H GLU 54 0.908 -3.407 6.633 187 HA GLU 54 HA GLU 54 -1.455 -2.225 7.941 188 HB2 GLU 54 HB2 GLU 54 1.342 -1.592 7.433 189 HB3 GLU 54 HB3 GLU 54 0.382 -0.273 6.908 190 HG2 GLU 54 HG2 GLU 54 0.530 -1.661 9.663 191 HG3 GLU 54 HG3 GLU 54 1.321 -0.151 9.240 192 H ILE 55 H ILE 55 0.153 -1.903 4.774 193 HA ILE 55 HA ILE 55 -1.626 0.027 3.593 194 HB ILE 55 HB ILE 55 -0.806 -0.913 1.391 195 HG12 ILE 55 HG12 ILE 55 0.535 -2.832 3.328 196 HG13 ILE 55 HG13 ILE 55 -0.541 -3.274 1.975 197 HG21 ILE 55 HG21 ILE 55 1.409 -0.547 3.438 198 HG22 ILE 55 HG22 ILE 55 1.461 -0.132 1.682 199 HG23 ILE 55 HG23 ILE 55 0.420 0.786 2.822 200 HD11 ILE 55 HD11 ILE 55 2.292 -2.305 2.011 201 HD12 ILE 55 HD12 ILE 55 1.670 -3.876 1.409 202 HD13 ILE 55 HD13 ILE 55 1.410 -2.359 0.473 203 H TYR 56 H TYR 56 -1.935 -3.500 3.626 204 HA TYR 56 HA TYR 56 -4.531 -3.550 2.402 205 HB2 TYR 56 HB2 TYR 56 -2.896 -5.352 2.530 206 HB3 TYR 56 HB3 TYR 56 -2.921 -5.347 4.262 207 HD1 TYR 56 HD1 TYR 56 -5.809 -5.327 1.849 208 HD2 TYR 56 HD2 TYR 56 -3.596 -7.397 4.874 209 HE1 TYR 56 HE1 TYR 56 -7.566 -7.117 1.866 210 HE2 TYR 56 HE2 TYR 56 -5.424 -9.152 5.003 211 HH TYR 56 HH TYR 56 -8.351 -9.018 2.967 212 H ALA 57 H ALA 57 -3.430 -3.395 5.806 213 HA ALA 57 HA ALA 57 -5.831 -4.223 7.040 214 HB1 ALA 57 HB1 ALA 57 -3.860 -2.156 8.094 215 HB2 ALA 57 HB2 ALA 57 -5.005 -3.101 9.057 216 HB3 ALA 57 HB3 ALA 57 -3.677 -3.930 8.233 217 H GLN 58 H GLN 58 -5.185 -1.196 5.566 218 HA GLN 58 HA GLN 58 -7.304 0.332 6.872 219 HB2 GLN 58 HB2 GLN 58 -5.090 0.749 4.947 220 HB3 GLN 58 HB3 GLN 58 -6.525 1.634 4.493 221 HG2 GLN 58 HG2 GLN 58 -5.138 2.992 5.884 222 HG3 GLN 58 HG3 GLN 58 -6.693 2.684 6.658 223 HE21 GLN 58 HE22 GLN 58 -3.579 0.733 6.569 224 HE22 GLN 58 HE21 GLN 58 -3.354 0.827 8.265 225 H ILE 59 H ILE 59 -7.232 -1.876 4.304 226 HA ILE 59 HA ILE 59 -9.480 -0.813 2.804 227 HB ILE 59 HB ILE 59 -7.762 -3.254 2.363 228 HG12 ILE 59 HG12 ILE 59 -7.490 -0.323 1.527 229 HG13 ILE 59 HG13 ILE 59 -6.361 -1.251 2.508 230 HG21 ILE 59 HG21 ILE 59 -9.394 -1.668 0.372 231 HG22 ILE 59 HG22 ILE 59 -8.510 -3.186 0.096 232 HG23 ILE 59 HG23 ILE 59 -9.939 -3.200 1.109 233 HD11 ILE 59 HD11 ILE 59 -6.885 -1.617 -0.433 234 HD12 ILE 59 HD12 ILE 59 -5.431 -0.996 0.366 235 HD13 ILE 59 HD13 ILE 59 -5.896 -2.705 0.588 236 HA PRO 60 HA PRO 60 -12.147 -3.589 5.285 237 HB2 PRO 60 HB2 PRO 60 -14.460 -2.180 5.278 238 HB3 PRO 60 HB3 PRO 60 -12.995 -1.558 6.098 239 HG2 PRO 60 HG2 PRO 60 -13.942 -0.912 3.274 240 HG3 PRO 60 HG3 PRO 60 -13.565 0.240 4.598 241 HD2 PRO 60 HD2 PRO 60 -11.702 -0.433 2.725 242 HD3 PRO 60 HD3 PRO 60 -11.260 -0.180 4.439 243 H GLN 61 H GLN 61 -14.245 -4.701 5.134 244 HA GLN 61 HA GLN 61 -14.389 -6.233 2.785 245 HB2 GLN 61 HB2 GLN 61 -16.398 -7.305 3.640 246 HB3 GLN 61 HB3 GLN 61 -15.012 -7.375 4.682 247 HG2 GLN 61 HG2 GLN 61 -16.752 -5.012 5.124 248 HG3 GLN 61 HG3 GLN 61 -17.598 -6.546 5.342 249 HE21 GLN 61 HE22 GLN 61 -14.190 -6.496 6.125 250 HE22 GLN 61 HE21 GLN 61 -14.414 -6.472 7.853 251 H GLU 62 H GLU 62 -16.131 -3.257 3.354 252 HA GLU 62 HA GLU 62 -18.406 -3.658 1.695 253 HB2 GLU 62 HB2 GLU 62 -16.865 -1.079 2.234 254 HB3 GLU 62 HB3 GLU 62 -18.507 -1.211 1.574 255 HG2 GLU 62 HG2 GLU 62 -19.178 -2.390 3.706 256 HG3 GLU 62 HG3 GLU 62 -17.597 -1.976 4.378 257 H LEU 63 H LEU 63 -15.109 -3.210 0.739 258 HA LEU 63 HA LEU 63 -15.699 -2.161 -1.959 259 HB2 LEU 63 HB2 LEU 63 -13.098 -3.177 -0.751 260 HB3 LEU 63 HB3 LEU 63 -13.275 -2.137 -2.157 261 HG LEU 63 HG LEU 63 -13.927 -1.379 0.734 262 HD11 LEU 63 HD11 LEU 63 -11.659 -0.686 -1.153 263 HD12 LEU 63 HD12 LEU 63 -11.926 0.033 0.461 264 HD13 LEU 63 HD13 LEU 63 -11.617 -1.719 0.297 265 HD21 LEU 63 HD21 LEU 63 -15.385 -0.232 -0.824 266 HD22 LEU 63 HD22 LEU 63 -14.165 0.897 -0.192 267 HD23 LEU 63 HD23 LEU 63 -13.995 0.227 -1.841 268 H GLU 64 H GLU 64 -15.145 -5.114 -0.489 269 HA GLU 64 HA GLU 64 -14.976 -7.312 -1.069 270 HB2 GLU 64 HB2 GLU 64 -16.127 -6.466 -3.741 271 HB3 GLU 64 HB3 GLU 64 -16.022 -8.111 -3.108 272 HG2 GLU 64 HG2 GLU 64 -17.469 -7.473 -1.188 273 HG3 GLU 64 HG3 GLU 64 -17.609 -5.833 -1.835 274 H TRP 65 H TRP 65 -12.533 -6.272 -1.024 275 HA TRP 65 HA TRP 65 -11.061 -7.488 -3.344 276 HB2 TRP 65 HB2 TRP 65 -10.095 -5.581 -1.180 277 HB3 TRP 65 HB3 TRP 65 -9.119 -6.224 -2.482 278 HD1 TRP 65 HD1 TRP 65 -12.426 -4.978 -3.777 279 HE1 TRP 65 HE1 TRP 65 -12.188 -2.658 -4.769 280 HE3 TRP 65 HE3 TRP 65 -7.599 -3.915 -2.302 281 HZ2 TRP 65 HZ2 TRP 65 -10.204 -0.582 -4.922 282 HZ3 TRP 65 HZ3 TRP 65 -6.554 -1.806 -2.987 283 HH2 TRP 65 HH2 TRP 65 -7.855 -0.087 -4.234 284 H SER 66 H SER 66 -9.243 -8.857 -2.908 285 HA SER 66 HA SER 66 -8.988 -9.976 -0.130 286 HB2 SER 66 HB2 SER 66 -8.325 -11.367 -2.747 287 HB3 SER 66 HB3 SER 66 -8.123 -12.025 -1.115 288 HG SER 66 HG SER 66 -10.030 -12.828 -1.632 289 H LEU 67 H LEU 67 -6.627 -10.638 0.457 290 HA LEU 67 HA LEU 67 -5.099 -8.478 0.472 291 HB2 LEU 67 HB2 LEU 67 -5.118 -10.782 1.725 292 HB3 LEU 67 HB3 LEU 67 -3.876 -11.220 0.570 293 HG LEU 67 HG LEU 67 -3.836 -9.537 2.977 294 HD11 LEU 67 HD11 LEU 67 -1.668 -10.838 1.387 295 HD12 LEU 67 HD12 LEU 67 -1.575 -10.198 3.074 296 HD13 LEU 67 HD13 LEU 67 -2.652 -11.572 2.688 297 HD21 LEU 67 HD21 LEU 67 -3.522 -7.663 1.396 298 HD22 LEU 67 HD22 LEU 67 -2.097 -7.969 2.373 299 HD23 LEU 67 HD23 LEU 67 -2.153 -8.532 0.680 300 H ALA 68 H ALA 68 -4.737 -11.112 -1.918 301 HA ALA 68 HA ALA 68 -2.359 -10.243 -3.166 302 HB1 ALA 68 HB1 ALA 68 -4.803 -11.573 -4.416 303 HB2 ALA 68 HB2 ALA 68 -3.173 -11.511 -5.118 304 HB3 ALA 68 HB3 ALA 68 -3.451 -12.409 -3.614 305 H THR 69 H THR 69 -5.685 -8.920 -3.536 306 HA THR 69 HA THR 69 -5.205 -7.544 -5.967 307 HB THR 69 HB THR 69 -7.281 -6.852 -3.868 308 HG1 THR 69 HG1 THR 69 -8.257 -8.240 -5.920 309 HG21 THR 69 HG21 THR 69 -6.843 -6.204 -6.798 310 HG22 THR 69 HG22 THR 69 -8.460 -6.073 -6.024 311 HG23 THR 69 HG23 THR 69 -7.095 -5.087 -5.452 312 H VAL 70 H VAL 70 -5.184 -6.152 -2.547 313 HA VAL 70 HA VAL 70 -4.428 -3.596 -3.462 314 HB VAL 70 HB VAL 70 -5.156 -4.117 -1.103 315 HG11 VAL 70 HG11 VAL 70 -2.239 -4.752 -0.530 316 HG12 VAL 70 HG12 VAL 70 -3.618 -4.710 0.571 317 HG13 VAL 70 HG13 VAL 70 -3.528 -6.005 -0.621 318 HG21 VAL 70 HG21 VAL 70 -4.163 -1.978 -1.740 319 HG22 VAL 70 HG22 VAL 70 -3.548 -2.445 -0.109 320 HG23 VAL 70 HG23 VAL 70 -2.530 -2.644 -1.554 321 H LYS 71 H LYS 71 -2.377 -6.352 -2.510 322 HA LYS 71 HA LYS 71 0.106 -5.033 -2.758 323 HB2 LYS 71 HB2 LYS 71 -0.608 -7.980 -3.176 324 HB3 LYS 71 HB3 LYS 71 1.048 -7.346 -3.101 325 HG2 LYS 71 HG2 LYS 71 0.486 -6.346 -0.876 326 HG3 LYS 71 HG3 LYS 71 -1.044 -7.236 -0.898 327 HD2 LYS 71 HD2 LYS 71 0.223 -9.342 -1.293 328 HD3 LYS 71 HD3 LYS 71 1.739 -8.435 -1.157 329 HE2 LYS 71 HE2 LYS 71 0.572 -7.706 1.231 330 HE3 LYS 71 HE3 LYS 71 -0.209 -9.217 1.010 331 HZ1 LYS 71 HZ1 LYS 71 2.731 -8.911 1.123 332 HZ2 LYS 71 HZ2 LYS 71 1.766 -9.640 2.234 333 HZ3 LYS 71 HZ3 LYS 71 2.023 -10.307 0.763 334 H THR 72 H THR 72 -1.639 -6.795 -5.284 335 HA THR 72 HA THR 72 0.356 -6.173 -7.332 336 HB THR 72 HB THR 72 -1.171 -7.966 -7.800 337 HG1 THR 72 HG1 THR 72 -2.085 -6.096 -9.617 338 HG21 THR 72 HG21 THR 72 -3.395 -5.892 -8.039 339 HG22 THR 72 HG22 THR 72 -3.501 -7.634 -8.400 340 HG23 THR 72 HG23 THR 72 -3.213 -7.086 -6.751 341 H LEU 73 H LEU 73 -2.533 -4.300 -6.260 342 HA LEU 73 HA LEU 73 -2.431 -2.494 -8.503 343 HB2 LEU 73 HB2 LEU 73 -4.365 -3.277 -7.132 344 HB3 LEU 73 HB3 LEU 73 -3.700 -2.478 -5.718 345 HG LEU 73 HG LEU 73 -4.892 -1.174 -8.199 346 HD11 LEU 73 HD11 LEU 73 -5.697 -1.322 -5.250 347 HD12 LEU 73 HD12 LEU 73 -6.615 -0.504 -6.540 348 HD13 LEU 73 HD13 LEU 73 -6.435 -2.264 -6.550 349 HD21 LEU 73 HD21 LEU 73 -3.154 0.312 -7.445 350 HD22 LEU 73 HD22 LEU 73 -4.686 0.935 -6.800 351 HD23 LEU 73 HD23 LEU 73 -3.556 0.022 -5.740 352 H LEU 74 H LEU 74 -1.474 -2.308 -5.051 353 HA LEU 74 HA LEU 74 -0.366 0.276 -4.981 354 HB2 LEU 74 HB2 LEU 74 -1.251 -0.969 -3.202 355 HB3 LEU 74 HB3 LEU 74 -0.064 -2.256 -3.406 356 HG LEU 74 HG LEU 74 0.807 0.600 -2.740 357 HD11 LEU 74 HD11 LEU 74 -0.011 -1.790 -1.089 358 HD12 LEU 74 HD12 LEU 74 0.794 -0.280 -0.460 359 HD13 LEU 74 HD13 LEU 74 -0.849 -0.208 -1.136 360 HD21 LEU 74 HD21 LEU 74 2.691 -0.766 -3.289 361 HD22 LEU 74 HD22 LEU 74 2.532 -0.964 -1.483 362 HD23 LEU 74 HD23 LEU 74 1.942 -2.226 -2.596 363 H GLY 75 H GLY 75 1.077 -2.926 -5.431 364 HA2 GLY 75 HA2 GLY 75 3.788 -2.317 -5.901 365 HA3 GLY 75 HA3 GLY 75 2.904 -3.661 -6.637 366 H ARG 76 H ARG 76 1.094 -1.655 -8.074 367 HA ARG 76 HA ARG 76 2.835 -1.112 -10.422 368 HB2 ARG 76 HB2 ARG 76 -0.142 -0.904 -10.017 369 HB3 ARG 76 HB3 ARG 76 0.671 -0.556 -11.536 370 HG2 ARG 76 HG2 ARG 76 1.180 -3.277 -10.321 371 HG3 ARG 76 HG3 ARG 76 -0.419 -2.964 -10.962 372 HD2 ARG 76 HD2 ARG 76 0.509 -2.521 -13.185 373 HD3 ARG 76 HD3 ARG 76 2.156 -2.476 -12.520 374 HE ARG 76 HE ARG 76 0.619 -5.016 -12.252 375 HH11 ARG 76 HH11 ARG 76 3.113 -3.434 -14.166 376 HH12 ARG 76 HH12 ARG 76 3.971 -4.933 -14.415 377 HH21 ARG 76 HH21 ARG 76 1.630 -6.801 -12.721 378 HH22 ARG 76 HH22 ARG 76 3.181 -6.847 -13.554 379 H LEU 77 H LEU 77 0.968 0.539 -7.839 380 HA LEU 77 HA LEU 77 1.346 3.223 -8.871 381 HB2 LEU 77 HB2 LEU 77 1.671 2.515 -5.945 382 HB3 LEU 77 HB3 LEU 77 1.076 4.012 -6.641 383 HG LEU 77 HG LEU 77 -0.343 1.359 -6.645 384 HD11 LEU 77 HD11 LEU 77 -0.972 3.881 -5.118 385 HD12 LEU 77 HD12 LEU 77 -1.693 2.252 -4.949 386 HD13 LEU 77 HD13 LEU 77 -0.004 2.512 -4.486 387 HD21 LEU 77 HD21 LEU 77 -0.946 2.342 -8.587 388 HD22 LEU 77 HD22 LEU 77 -2.279 2.705 -7.469 389 HD23 LEU 77 HD23 LEU 77 -1.081 3.980 -7.875 390 H VAL 78 H VAL 78 3.237 1.226 -6.785 391 HA VAL 78 HA VAL 78 5.451 3.042 -6.531 392 HB VAL 78 HB VAL 78 6.471 1.774 -5.102 393 HG11 VAL 78 HG11 VAL 78 4.220 -0.257 -5.184 394 HG12 VAL 78 HG12 VAL 78 5.315 0.104 -3.852 395 HG13 VAL 78 HG13 VAL 78 4.074 1.284 -4.328 396 HG21 VAL 78 HG21 VAL 78 7.561 0.315 -6.672 397 HG22 VAL 78 HG22 VAL 78 7.021 -0.599 -5.283 398 HG23 VAL 78 HG23 VAL 78 6.079 -0.690 -6.799 399 H LYS 79 H LYS 79 4.747 0.884 -9.115 400 HA LYS 79 HA LYS 79 7.342 1.296 -10.463 401 HB2 LYS 79 HB2 LYS 79 5.015 -0.492 -10.788 402 HB3 LYS 79 HB3 LYS 79 5.407 0.344 -12.309 403 HG2 LYS 79 HG2 LYS 79 6.540 -1.638 -12.287 404 HG3 LYS 79 HG3 LYS 79 7.661 -0.302 -12.168 405 HD2 LYS 79 HD2 LYS 79 8.633 -1.707 -10.553 406 HD3 LYS 79 HD3 LYS 79 7.480 -0.836 -9.531 407 HE2 LYS 79 HE2 LYS 79 6.917 -3.012 -8.998 408 HE3 LYS 79 HE3 LYS 79 5.788 -2.634 -10.320 409 HZ1 LYS 79 HZ1 LYS 79 8.322 -4.191 -10.521 410 HZ2 LYS 79 HZ2 LYS 79 6.828 -4.801 -10.782 411 HZ3 LYS 79 HZ3 LYS 79 7.465 -3.727 -11.834 412 H LYS 80 H LYS 80 4.325 2.849 -10.350 413 HA LYS 80 HA LYS 80 4.906 4.750 -12.575 414 HB2 LYS 80 HB2 LYS 80 2.624 4.410 -10.602 415 HB3 LYS 80 HB3 LYS 80 2.837 5.973 -11.353 416 HG2 LYS 80 HG2 LYS 80 2.418 3.429 -12.929 417 HG3 LYS 80 HG3 LYS 80 1.168 4.593 -12.474 418 HD2 LYS 80 HD2 LYS 80 2.578 6.393 -13.694 419 HD3 LYS 80 HD3 LYS 80 3.522 5.046 -14.334 420 HE2 LYS 80 HE2 LYS 80 2.037 5.202 -16.038 421 HE3 LYS 80 HE3 LYS 80 1.099 4.109 -15.007 422 HZ1 LYS 80 HZ1 LYS 80 0.776 7.045 -15.293 423 HZ2 LYS 80 HZ2 LYS 80 -0.292 5.866 -15.749 424 HZ3 LYS 80 HZ3 LYS 80 -0.081 6.150 -14.178 425 H GLU 81 H GLU 81 3.944 6.890 -10.376 426 HA GLU 81 HA GLU 81 6.631 7.304 -9.149 427 HB2 GLU 81 HB2 GLU 81 6.167 8.393 -11.521 428 HB3 GLU 81 HB3 GLU 81 5.193 9.530 -10.597 429 HG2 GLU 81 HG2 GLU 81 7.381 9.791 -9.134 430 HG3 GLU 81 HG3 GLU 81 8.188 8.963 -10.463 431 H MET 82 H MET 82 3.926 6.525 -8.148 432 HA MET 82 HA MET 82 2.670 8.687 -6.736 433 HB2 MET 82 HB2 MET 82 2.239 5.945 -7.393 434 HB3 MET 82 HB3 MET 82 2.302 5.939 -5.643 435 HG2 MET 82 HG2 MET 82 0.583 7.602 -7.420 436 HG3 MET 82 HG3 MET 82 0.113 6.180 -6.472 437 HE1 MET 82 HE1 MET 82 1.579 6.812 -3.608 438 HE2 MET 82 HE2 MET 82 0.234 7.593 -2.765 439 HE3 MET 82 HE3 MET 82 -0.072 6.158 -3.768 440 H LEU 83 H LEU 83 4.350 5.894 -5.546 441 HA LEU 83 HA LEU 83 6.046 7.360 -3.668 442 HB2 LEU 83 HB2 LEU 83 5.235 6.624 -1.671 443 HB3 LEU 83 HB3 LEU 83 3.753 6.908 -2.540 444 HG LEU 83 HG LEU 83 5.049 4.242 -1.846 445 HD11 LEU 83 HD11 LEU 83 2.337 5.438 -1.152 446 HD12 LEU 83 HD12 LEU 83 3.002 3.877 -0.597 447 HD13 LEU 83 HD13 LEU 83 3.761 5.395 -0.087 448 HD21 LEU 83 HD21 LEU 83 4.145 3.926 -4.068 449 HD22 LEU 83 HD22 LEU 83 3.104 3.130 -2.882 450 HD23 LEU 83 HD23 LEU 83 2.598 4.680 -3.586 451 H SER 84 H SER 84 7.226 5.525 -2.235 452 HA SER 84 HA SER 84 8.287 3.455 -4.119 453 HB2 SER 84 HB2 SER 84 9.961 5.423 -2.501 454 HB3 SER 84 HB3 SER 84 10.554 4.010 -3.412 455 HG SER 84 HG SER 84 10.741 5.892 -4.609 456 H THR 85 H THR 85 9.885 2.035 -2.906 457 HA THR 85 HA THR 85 9.080 1.604 -0.108 458 HB THR 85 HB THR 85 7.414 0.461 -1.262 459 HG1 THR 85 HG1 THR 85 9.327 -1.501 -0.583 460 HG21 THR 85 HG21 THR 85 9.233 -1.377 -2.790 461 HG22 THR 85 HG22 THR 85 7.509 -0.911 -3.067 462 HG23 THR 85 HG23 THR 85 8.800 0.209 -3.487 463 H GLU 86 H GLU 86 10.328 0.319 1.098 464 HA GLU 86 HA GLU 86 13.064 -0.389 0.135 465 HB2 GLU 86 HB2 GLU 86 12.393 1.247 2.611 466 HB3 GLU 86 HB3 GLU 86 14.006 0.718 2.132 467 HG2 GLU 86 HG2 GLU 86 12.267 2.706 0.600 468 HG3 GLU 86 HG3 GLU 86 13.566 3.108 1.705 469 H LYS 87 H LYS 87 14.241 -1.482 2.165 470 HA LYS 87 HA LYS 87 12.476 -3.714 2.945 471 HB2 LYS 87 HB2 LYS 87 14.162 -3.838 1.091 472 HB3 LYS 87 HB3 LYS 87 15.411 -3.462 2.284 473 HG2 LYS 87 HG2 LYS 87 14.690 -5.603 3.531 474 HG3 LYS 87 HG3 LYS 87 13.671 -5.926 2.087 475 HD2 LYS 87 HD2 LYS 87 15.774 -5.520 0.641 476 HD3 LYS 87 HD3 LYS 87 16.645 -5.471 2.213 477 HE2 LYS 87 HE2 LYS 87 15.621 -7.697 2.741 478 HE3 LYS 87 HE3 LYS 87 14.974 -7.705 1.079 479 HZ1 LYS 87 HZ1 LYS 87 17.842 -7.630 1.841 480 HZ2 LYS 87 HZ2 LYS 87 17.090 -8.925 1.143 481 HZ3 LYS 87 HZ3 LYS 87 17.322 -7.554 0.286 482 H GLU 88 H GLU 88 12.329 -4.355 4.933 483 HA GLU 88 HA GLU 88 14.394 -3.650 6.988 484 HB2 GLU 88 HB2 GLU 88 11.536 -2.974 6.924 485 HB3 GLU 88 HB3 GLU 88 11.973 -3.821 8.393 486 HG2 GLU 88 HG2 GLU 88 13.569 -1.436 7.405 487 HG3 GLU 88 HG3 GLU 88 12.132 -1.280 8.418 488 H GLY 89 H GLY 89 15.425 -5.553 6.823 489 HA2 GLY 89 HA2 GLY 89 16.097 -7.589 7.549 490 HA3 GLY 89 HA3 GLY 89 14.704 -7.554 8.655 491 H ARG 90 H ARG 90 12.598 -7.846 7.046 492 HA ARG 90 HA ARG 90 12.877 -10.036 5.125 493 HB2 ARG 90 HB2 ARG 90 12.588 -11.074 7.539 494 HB3 ARG 90 HB3 ARG 90 10.903 -10.556 7.371 495 HG2 ARG 90 HG2 ARG 90 11.011 -11.833 5.068 496 HG3 ARG 90 HG3 ARG 90 12.470 -12.570 5.704 497 HD2 ARG 90 HD2 ARG 90 9.680 -12.745 6.935 498 HD3 ARG 90 HD3 ARG 90 10.435 -13.961 5.901 499 HE ARG 90 HE ARG 90 11.932 -13.314 8.346 500 HH11 ARG 90 HH11 ARG 90 9.601 -15.645 6.921 501 HH12 ARG 90 HH12 ARG 90 9.768 -16.666 8.342 502 HH21 ARG 90 HH21 ARG 90 12.050 -14.874 10.013 503 HH22 ARG 90 HH22 ARG 90 11.056 -16.310 9.860 504 H LYS 91 H LYS 91 10.750 -7.636 6.742 505 HA LYS 91 HA LYS 91 8.791 -7.875 4.513 506 HB2 LYS 91 HB2 LYS 91 8.722 -6.841 7.342 507 HB3 LYS 91 HB3 LYS 91 7.643 -6.077 6.173 508 HG2 LYS 91 HG2 LYS 91 6.594 -8.190 5.594 509 HG3 LYS 91 HG3 LYS 91 7.734 -9.090 6.618 510 HD2 LYS 91 HD2 LYS 91 6.902 -7.963 8.601 511 HD3 LYS 91 HD3 LYS 91 5.783 -6.979 7.622 512 HE2 LYS 91 HE2 LYS 91 4.374 -8.807 7.119 513 HE3 LYS 91 HE3 LYS 91 5.650 -9.992 7.409 514 HZ1 LYS 91 HZ1 LYS 91 4.378 -8.456 9.627 515 HZ2 LYS 91 HZ2 LYS 91 3.954 -9.997 9.197 516 HZ3 LYS 91 HZ3 LYS 91 5.436 -9.705 9.731 517 H PHE 92 H PHE 92 7.744 -5.807 3.892 518 HA PHE 92 HA PHE 92 9.838 -3.932 2.826 519 HB2 PHE 92 HB2 PHE 92 7.034 -4.642 1.923 520 HB3 PHE 92 HB3 PHE 92 7.847 -3.199 1.386 521 HD1 PHE 92 HD2 PHE 92 10.051 -3.319 0.277 522 HD2 PHE 92 HD1 PHE 92 7.680 -6.793 1.099 523 HE1 PHE 92 HE2 PHE 92 11.255 -4.506 -1.497 524 HE2 PHE 92 HE1 PHE 92 8.992 -8.080 -0.623 525 HZ PHE 92 HZ PHE 92 10.760 -6.933 -1.953 526 H VAL 93 H VAL 93 9.391 -1.738 2.819 527 HA VAL 93 HA VAL 93 7.238 -0.650 4.539 528 HB VAL 93 HB VAL 93 10.164 0.239 4.414 529 HG11 VAL 93 HG11 VAL 93 7.718 1.642 5.644 530 HG12 VAL 93 HG12 VAL 93 9.418 2.088 5.923 531 HG13 VAL 93 HG13 VAL 93 8.749 2.228 4.302 532 HG21 VAL 93 HG21 VAL 93 9.787 -1.550 5.987 533 HG22 VAL 93 HG22 VAL 93 9.921 -0.079 6.932 534 HG23 VAL 93 HG23 VAL 93 8.299 -0.846 6.621 535 H TYR 94 H TYR 94 5.938 0.494 3.356 536 HA TYR 94 HA TYR 94 6.743 1.598 0.701 537 HB2 TYR 94 HB2 TYR 94 4.043 0.946 1.976 538 HB3 TYR 94 HB3 TYR 94 4.251 1.587 0.365 539 HD1 TYR 94 HD1 TYR 94 5.225 0.234 -1.447 540 HD2 TYR 94 HD2 TYR 94 4.512 -1.437 2.456 541 HE1 TYR 94 HE1 TYR 94 5.480 -2.060 -2.381 542 HE2 TYR 94 HE2 TYR 94 4.610 -3.741 1.472 543 HH TYR 94 HH TYR 94 5.577 -4.284 -1.897 544 H ARG 95 H ARG 95 7.319 3.697 0.767 545 HA ARG 95 HA ARG 95 5.852 5.696 2.425 546 HB2 ARG 95 HB2 ARG 95 7.938 6.541 3.370 547 HB3 ARG 95 HB3 ARG 95 7.674 4.869 3.812 548 HG2 ARG 95 HG2 ARG 95 9.567 4.138 2.784 549 HG3 ARG 95 HG3 ARG 95 9.317 5.148 1.363 550 HD2 ARG 95 HD2 ARG 95 11.314 5.885 2.385 551 HD3 ARG 95 HD3 ARG 95 10.097 7.144 2.625 552 HE ARG 95 HE ARG 95 10.110 5.480 4.960 553 HH11 ARG 95 HH11 ARG 95 12.278 7.781 3.376 554 HH12 ARG 95 HH12 ARG 95 13.333 7.789 4.778 555 HH21 ARG 95 HH21 ARG 95 11.313 5.814 6.727 556 HH22 ARG 95 HH22 ARG 95 12.784 6.786 6.614 557 HA PRO 96 HA PRO 96 6.827 8.480 -1.002 558 HB2 PRO 96 HB2 PRO 96 6.472 10.934 0.091 559 HB3 PRO 96 HB3 PRO 96 5.110 9.775 -0.078 560 HG2 PRO 96 HG2 PRO 96 6.842 10.282 2.378 561 HG3 PRO 96 HG3 PRO 96 5.047 10.263 2.273 562 HD2 PRO 96 HD2 PRO 96 6.515 8.100 3.047 563 HD3 PRO 96 HD3 PRO 96 4.996 7.919 2.150 564 H LEU 97 H LEU 97 8.276 10.290 -1.625 565 HA LEU 97 HA LEU 97 10.909 10.382 -0.255 566 HB2 LEU 97 HB2 LEU 97 11.880 10.114 -2.432 567 HB3 LEU 97 HB3 LEU 97 11.108 8.764 -1.621 568 HG LEU 97 HG LEU 97 9.122 8.916 -3.027 569 HD11 LEU 97 HD11 LEU 97 10.645 11.199 -4.328 570 HD12 LEU 97 HD12 LEU 97 9.201 10.416 -5.036 571 HD13 LEU 97 HD13 LEU 97 9.088 11.311 -3.499 572 HD21 LEU 97 HD21 LEU 97 11.018 7.597 -3.439 573 HD22 LEU 97 HD22 LEU 97 10.300 8.123 -4.994 574 HD23 LEU 97 HD23 LEU 97 11.808 8.893 -4.367 575 H MET 98 H MET 98 8.883 12.447 -0.147 576 HA MET 98 HA MET 98 10.014 14.761 -1.704 577 HB2 MET 98 HB2 MET 98 8.098 15.997 -0.784 578 HB3 MET 98 HB3 MET 98 7.555 14.520 -1.561 579 HG2 MET 98 HG2 MET 98 7.455 13.469 0.767 580 HG3 MET 98 HG3 MET 98 7.738 15.078 1.416 581 HE1 MET 98 HE1 MET 98 5.624 14.910 2.898 582 HE2 MET 98 HE2 MET 98 3.988 14.511 2.295 583 HE3 MET 98 HE3 MET 98 5.276 13.268 2.283 584 H GLU 99 H GLU 99 10.764 16.637 -0.549 585 HA GLU 99 HA GLU 99 11.753 16.274 2.186 586 HB2 GLU 99 HB2 GLU 99 13.384 16.830 -0.329 587 HB3 GLU 99 HB3 GLU 99 13.957 17.342 1.354 588 HG2 GLU 99 HG2 GLU 99 13.601 14.845 2.026 589 HG3 GLU 99 HG3 GLU 99 13.482 14.503 0.316 Start of MODEL 16 1 H PHE 31 H1 PHE 31 -22.772 11.988 -11.989 2 HA PHE 31 HA PHE 31 -20.510 11.848 -12.798 3 HB2 PHE 31 HB2 PHE 31 -19.802 12.131 -9.875 4 HB3 PHE 31 HB3 PHE 31 -18.718 11.447 -11.085 5 HD1 PHE 31 HD1 PHE 31 -18.058 12.815 -13.132 6 HD2 PHE 31 HD2 PHE 31 -20.044 14.559 -9.711 7 HE1 PHE 31 HE1 PHE 31 -17.412 15.077 -13.905 8 HE2 PHE 31 HE2 PHE 31 -19.390 16.810 -10.492 9 HZ PHE 31 HZ PHE 31 -18.079 17.086 -12.586 10 H ASN 32 H ASN 32 -21.041 9.955 -9.683 11 HA ASN 32 HA ASN 32 -20.919 7.697 -9.401 12 HB2 ASN 32 HB2 ASN 32 -22.810 7.911 -11.766 13 HB3 ASN 32 HB3 ASN 32 -22.344 6.348 -11.114 14 HD21 ASN 32 HD22 ASN 32 -24.891 6.623 -10.986 15 HD22 ASN 32 HD21 ASN 32 -25.395 6.972 -9.327 16 H VAL 33 H VAL 33 -18.593 7.672 -9.694 17 HA VAL 33 HA VAL 33 -17.783 5.868 -11.895 18 HB VAL 33 HB VAL 33 -15.762 7.138 -12.370 19 HG11 VAL 33 HG11 VAL 33 -18.165 8.974 -12.708 20 HG12 VAL 33 HG12 VAL 33 -16.683 8.930 -13.685 21 HG13 VAL 33 HG13 VAL 33 -17.811 7.563 -13.725 22 HG21 VAL 33 HG21 VAL 33 -15.429 8.346 -10.242 23 HG22 VAL 33 HG22 VAL 33 -15.438 9.455 -11.616 24 HG23 VAL 33 HG23 VAL 33 -16.863 9.341 -10.564 25 H SER 34 H SER 34 -15.574 4.965 -11.540 26 HA SER 34 HA SER 34 -14.771 4.693 -8.658 27 HB2 SER 34 HB2 SER 34 -14.742 2.579 -10.863 28 HB3 SER 34 HB3 SER 34 -14.068 2.385 -9.241 29 HG SER 34 HG SER 34 -16.095 1.450 -9.450 30 H ASN 35 H ASN 35 -12.576 5.076 -8.326 31 HA ASN 35 HA ASN 35 -10.572 4.602 -10.456 32 HB2 ASN 35 HB2 ASN 35 -11.114 7.272 -9.098 33 HB3 ASN 35 HB3 ASN 35 -9.474 6.815 -9.513 34 HD21 ASN 35 HD22 ASN 35 -12.128 5.996 -11.841 35 HD22 ASN 35 HD21 ASN 35 -11.593 7.264 -12.937 36 H ALA 36 H ALA 36 -8.619 3.807 -9.516 37 HA ALA 36 HA ALA 36 -9.009 2.564 -6.924 38 HB1 ALA 36 HB1 ALA 36 -6.683 2.563 -8.901 39 HB2 ALA 36 HB2 ALA 36 -6.754 1.553 -7.459 40 HB3 ALA 36 HB3 ALA 36 -7.959 1.334 -8.752 41 H GLU 37 H GLU 37 -6.699 4.940 -8.150 42 HA GLU 37 HA GLU 37 -4.870 4.963 -6.077 43 HB2 GLU 37 HB2 GLU 37 -5.624 7.160 -8.053 44 HB3 GLU 37 HB3 GLU 37 -4.200 7.170 -7.028 45 HG2 GLU 37 HG2 GLU 37 -3.256 6.351 -8.904 46 HG3 GLU 37 HG3 GLU 37 -3.650 4.840 -8.103 47 H LEU 38 H LEU 38 -7.978 6.442 -5.894 48 HA LEU 38 HA LEU 38 -7.504 8.677 -4.224 49 HB2 LEU 38 HB2 LEU 38 -9.602 7.975 -5.513 50 HB3 LEU 38 HB3 LEU 38 -9.985 6.903 -4.182 51 HG LEU 38 HG LEU 38 -9.791 9.947 -4.129 52 HD11 LEU 38 HD11 LEU 38 -12.160 8.077 -3.677 53 HD12 LEU 38 HD12 LEU 38 -12.198 9.852 -3.710 54 HD13 LEU 38 HD13 LEU 38 -11.820 8.949 -5.186 55 HD21 LEU 38 HD21 LEU 38 -9.106 9.279 -1.908 56 HD22 LEU 38 HD22 LEU 38 -10.785 9.794 -1.823 57 HD23 LEU 38 HD23 LEU 38 -10.410 8.061 -1.818 58 H ILE 39 H ILE 39 -8.681 5.436 -3.128 59 HA ILE 39 HA ILE 39 -8.445 6.138 -0.356 60 HB ILE 39 HB ILE 39 -8.877 3.936 0.204 61 HG12 ILE 39 HG12 ILE 39 -9.645 2.967 -2.516 62 HG13 ILE 39 HG13 ILE 39 -7.901 3.039 -2.270 63 HG21 ILE 39 HG21 ILE 39 -10.793 5.032 -1.881 64 HG22 ILE 39 HG22 ILE 39 -11.164 3.834 -0.621 65 HG23 ILE 39 HG23 ILE 39 -10.703 5.482 -0.161 66 HD11 ILE 39 HD11 ILE 39 -9.868 1.802 -0.335 67 HD12 ILE 39 HD12 ILE 39 -8.818 0.884 -1.464 68 HD13 ILE 39 HD13 ILE 39 -8.102 1.868 -0.147 69 H VAL 40 H VAL 40 -6.310 4.079 -2.339 70 HA VAL 40 HA VAL 40 -4.544 3.387 -0.219 71 HB VAL 40 HB VAL 40 -2.929 2.726 -1.974 72 HG11 VAL 40 HG11 VAL 40 -5.775 1.815 -2.564 73 HG12 VAL 40 HG12 VAL 40 -4.275 0.946 -2.944 74 HG13 VAL 40 HG13 VAL 40 -4.739 1.202 -1.253 75 HG21 VAL 40 HG21 VAL 40 -3.324 4.430 -3.710 76 HG22 VAL 40 HG22 VAL 40 -3.581 2.813 -4.365 77 HG23 VAL 40 HG23 VAL 40 -4.976 3.819 -3.959 78 H MET 41 H MET 41 -4.430 6.267 -2.368 79 HA MET 41 HA MET 41 -1.895 7.138 -1.320 80 HB2 MET 41 HB2 MET 41 -2.940 7.980 -3.421 81 HB3 MET 41 HB3 MET 41 -4.192 8.785 -2.466 82 HG2 MET 41 HG2 MET 41 -2.472 10.371 -3.115 83 HG3 MET 41 HG3 MET 41 -2.443 10.167 -1.365 84 HE1 MET 41 HE1 MET 41 -0.098 11.360 -1.229 85 HE2 MET 41 HE2 MET 41 1.300 10.913 -2.237 86 HE3 MET 41 HE3 MET 41 -0.156 11.602 -2.994 87 H ARG 42 H ARG 42 -5.298 7.963 -0.366 88 HA ARG 42 HA ARG 42 -4.450 9.822 1.614 89 HB2 ARG 42 HB2 ARG 42 -6.671 9.949 0.686 90 HB3 ARG 42 HB3 ARG 42 -7.120 8.389 1.396 91 HG2 ARG 42 HG2 ARG 42 -7.037 9.246 3.622 92 HG3 ARG 42 HG3 ARG 42 -6.159 10.699 3.146 93 HD2 ARG 42 HD2 ARG 42 -8.965 10.168 2.136 94 HD3 ARG 42 HD3 ARG 42 -8.680 10.851 3.742 95 HE ARG 42 HE ARG 42 -7.197 12.563 2.314 96 HH11 ARG 42 HH11 ARG 42 -10.518 11.547 1.817 97 HH12 ARG 42 HH12 ARG 42 -10.936 13.020 0.996 98 HH21 ARG 42 HH21 ARG 42 -7.842 14.463 1.268 99 HH22 ARG 42 HH22 ARG 42 -9.456 14.572 0.672 100 H VAL 43 H VAL 43 -5.012 6.310 2.107 101 HA VAL 43 HA VAL 43 -4.628 6.472 4.971 102 HB VAL 43 HB VAL 43 -5.363 4.395 4.654 103 HG11 VAL 43 HG11 VAL 43 -4.816 2.852 2.749 104 HG12 VAL 43 HG12 VAL 43 -5.696 4.302 2.344 105 HG13 VAL 43 HG13 VAL 43 -3.944 4.196 1.988 106 HG21 VAL 43 HG21 VAL 43 -3.153 3.962 5.703 107 HG22 VAL 43 HG22 VAL 43 -3.689 2.600 4.694 108 HG23 VAL 43 HG23 VAL 43 -2.442 3.691 4.112 109 H ILE 44 H ILE 44 -2.210 5.737 2.375 110 HA ILE 44 HA ILE 44 -0.220 5.379 4.383 111 HB ILE 44 HB ILE 44 0.048 5.752 1.366 112 HG12 ILE 44 HG12 ILE 44 -0.180 3.259 3.120 113 HG13 ILE 44 HG13 ILE 44 -1.502 3.911 2.181 114 HG21 ILE 44 HG21 ILE 44 1.947 4.729 3.538 115 HG22 ILE 44 HG22 ILE 44 2.240 4.502 1.795 116 HG23 ILE 44 HG23 ILE 44 2.179 6.128 2.481 117 HD11 ILE 44 HD11 ILE 44 1.013 2.812 0.923 118 HD12 ILE 44 HD12 ILE 44 -0.595 2.066 0.979 119 HD13 ILE 44 HD13 ILE 44 -0.374 3.576 0.093 120 H TRP 45 H TRP 45 -1.048 8.120 2.415 121 HA TRP 45 HA TRP 45 1.263 9.759 2.716 122 HB2 TRP 45 HB2 TRP 45 -0.338 10.491 1.171 123 HB3 TRP 45 HB3 TRP 45 -1.671 10.212 2.280 124 HD1 TRP 45 HD1 TRP 45 1.254 12.551 3.157 125 HE1 TRP 45 HE1 TRP 45 0.201 14.764 3.917 126 HE3 TRP 45 HE3 TRP 45 -3.554 11.782 1.580 127 HZ2 TRP 45 HZ2 TRP 45 -2.305 16.108 3.705 128 HZ3 TRP 45 HZ3 TRP 45 -5.245 13.594 1.816 129 HH2 TRP 45 HH2 TRP 45 -4.637 15.742 2.909 130 H SER 46 H SER 46 -1.256 9.054 5.036 131 HA SER 46 HA SER 46 -0.583 11.416 6.752 132 HB2 SER 46 HB2 SER 46 -2.916 10.742 6.479 133 HB3 SER 46 HB3 SER 46 -2.561 9.151 7.239 134 HG SER 46 HG SER 46 -3.386 10.974 8.660 135 H LEU 47 H LEU 47 -0.089 7.995 6.649 136 HA LEU 47 HA LEU 47 0.887 7.466 9.264 137 HB2 LEU 47 HB2 LEU 47 -0.026 6.193 6.789 138 HB3 LEU 47 HB3 LEU 47 1.543 5.525 7.155 139 HG LEU 47 HG LEU 47 -0.591 5.818 9.309 140 HD11 LEU 47 HD11 LEU 47 -0.267 3.507 7.357 141 HD12 LEU 47 HD12 LEU 47 -1.225 3.467 8.842 142 HD13 LEU 47 HD13 LEU 47 -1.670 4.597 7.540 143 HD21 LEU 47 HD21 LEU 47 1.843 5.454 9.784 144 HD22 LEU 47 HD22 LEU 47 0.788 4.105 10.337 145 HD23 LEU 47 HD23 LEU 47 1.763 3.961 8.845 146 H GLY 48 H GLY 48 2.411 7.692 6.127 147 HA2 GLY 48 HA2 GLY 48 4.456 8.845 5.605 148 HA3 GLY 48 HA3 GLY 48 4.928 8.775 7.307 149 H GLU 49 H GLU 49 4.535 5.918 7.686 150 HA GLU 49 HA GLU 49 5.907 4.483 5.526 151 HB2 GLU 49 HB2 GLU 49 7.682 5.224 7.092 152 HB3 GLU 49 HB3 GLU 49 6.800 4.468 8.453 153 HG2 GLU 49 HG2 GLU 49 6.938 2.324 7.102 154 HG3 GLU 49 HG3 GLU 49 8.102 3.251 6.114 155 H ALA 50 H ALA 50 4.742 2.674 5.190 156 HA ALA 50 HA ALA 50 3.417 1.323 7.506 157 HB1 ALA 50 HB1 ALA 50 2.091 2.189 4.921 158 HB2 ALA 50 HB2 ALA 50 1.377 1.055 6.106 159 HB3 ALA 50 HB3 ALA 50 1.717 2.732 6.568 160 H ARG 51 H ARG 51 3.940 -0.694 7.562 161 HA ARG 51 HA ARG 51 5.436 -2.072 5.477 162 HB2 ARG 51 HB2 ARG 51 4.218 -3.111 8.086 163 HB3 ARG 51 HB3 ARG 51 5.176 -4.060 6.975 164 HG2 ARG 51 HG2 ARG 51 6.728 -3.440 8.550 165 HG3 ARG 51 HG3 ARG 51 7.013 -2.285 7.246 166 HD2 ARG 51 HD2 ARG 51 5.471 -0.687 8.636 167 HD3 ARG 51 HD3 ARG 51 5.609 -1.860 9.913 168 HE ARG 51 HE ARG 51 7.599 0.087 8.949 169 HH11 ARG 51 HH11 ARG 51 7.328 -2.753 10.992 170 HH12 ARG 51 HH12 ARG 51 8.709 -2.275 11.936 171 HH21 ARG 51 HH21 ARG 51 9.226 0.595 10.018 172 HH22 ARG 51 HH22 ARG 51 9.865 -0.378 11.344 173 H VAL 52 H VAL 52 4.662 -4.215 4.492 174 HA VAL 52 HA VAL 52 2.507 -3.603 2.904 175 HB VAL 52 HB VAL 52 3.541 -5.031 1.718 176 HG11 VAL 52 HG11 VAL 52 4.575 -6.415 4.233 177 HG12 VAL 52 HG12 VAL 52 5.099 -6.783 2.567 178 HG13 VAL 52 HG13 VAL 52 5.380 -5.166 3.228 179 HG21 VAL 52 HG21 VAL 52 1.549 -6.272 1.923 180 HG22 VAL 52 HG22 VAL 52 2.925 -7.384 1.755 181 HG23 VAL 52 HG23 VAL 52 2.164 -7.165 3.370 182 H ASP 53 H ASP 53 2.367 -5.694 5.737 183 HA ASP 53 HA ASP 53 -0.424 -6.312 5.273 184 HB2 ASP 53 HB2 ASP 53 -0.190 -7.699 7.161 185 HB3 ASP 53 HB3 ASP 53 1.092 -7.967 6.040 186 H GLU 54 H GLU 54 1.236 -3.671 6.562 187 HA GLU 54 HA GLU 54 -0.833 -2.696 8.406 188 HB2 GLU 54 HB2 GLU 54 1.891 -2.385 8.237 189 HB3 GLU 54 HB3 GLU 54 1.379 -0.925 7.370 190 HG2 GLU 54 HG2 GLU 54 0.198 -1.604 10.089 191 HG3 GLU 54 HG3 GLU 54 1.843 -0.979 9.964 192 H ILE 55 H ILE 55 0.538 -1.755 5.219 193 HA ILE 55 HA ILE 55 -1.447 0.231 4.575 194 HB ILE 55 HB ILE 55 -0.952 -0.172 2.101 195 HG12 ILE 55 HG12 ILE 55 0.738 -2.488 3.400 196 HG13 ILE 55 HG13 ILE 55 -0.331 -2.503 2.054 197 HG21 ILE 55 HG21 ILE 55 1.590 -0.015 3.892 198 HG22 ILE 55 HG22 ILE 55 1.243 0.715 2.274 199 HG23 ILE 55 HG23 ILE 55 0.396 1.252 3.738 200 HD11 ILE 55 HD11 ILE 55 2.442 -1.584 2.322 201 HD12 ILE 55 HD12 ILE 55 1.820 -2.770 1.231 202 HD13 ILE 55 HD13 ILE 55 1.532 -1.008 0.887 203 H TYR 56 H TYR 56 -1.436 -3.341 3.918 204 HA TYR 56 HA TYR 56 -4.060 -3.460 2.829 205 HB2 TYR 56 HB2 TYR 56 -2.456 -5.193 2.676 206 HB3 TYR 56 HB3 TYR 56 -2.217 -5.271 4.399 207 HD1 TYR 56 HD1 TYR 56 -5.330 -5.403 2.285 208 HD2 TYR 56 HD2 TYR 56 -2.769 -7.319 5.121 209 HE1 TYR 56 HE1 TYR 56 -7.031 -7.211 2.541 210 HE2 TYR 56 HE2 TYR 56 -4.586 -9.051 5.588 211 HH TYR 56 HH TYR 56 -7.599 -9.127 3.663 212 H ALA 57 H ALA 57 -2.943 -3.428 6.235 213 HA ALA 57 HA ALA 57 -5.353 -4.388 7.406 214 HB1 ALA 57 HB1 ALA 57 -3.400 -2.383 8.597 215 HB2 ALA 57 HB2 ALA 57 -4.550 -3.400 9.484 216 HB3 ALA 57 HB3 ALA 57 -3.199 -4.169 8.635 217 H GLN 58 H GLN 58 -4.697 -1.316 6.006 218 HA GLN 58 HA GLN 58 -6.848 0.110 7.399 219 HB2 GLN 58 HB2 GLN 58 -4.541 0.697 5.618 220 HB3 GLN 58 HB3 GLN 58 -5.972 1.549 5.139 221 HG2 GLN 58 HG2 GLN 58 -5.022 3.009 6.583 222 HG3 GLN 58 HG3 GLN 58 -6.306 2.257 7.532 223 HE21 GLN 58 HE22 GLN 58 -3.338 0.274 7.271 224 HE22 GLN 58 HE21 GLN 58 -2.595 0.890 8.672 225 H ILE 59 H ILE 59 -6.729 -2.005 4.716 226 HA ILE 59 HA ILE 59 -8.844 -0.703 3.167 227 HB ILE 59 HB ILE 59 -7.187 -3.161 2.639 228 HG12 ILE 59 HG12 ILE 59 -6.953 -0.239 1.754 229 HG13 ILE 59 HG13 ILE 59 -5.856 -1.081 2.857 230 HG21 ILE 59 HG21 ILE 59 -8.983 -1.535 0.803 231 HG22 ILE 59 HG22 ILE 59 -7.983 -2.936 0.336 232 HG23 ILE 59 HG23 ILE 59 -9.347 -3.164 1.414 233 HD11 ILE 59 HD11 ILE 59 -6.198 -1.610 -0.088 234 HD12 ILE 59 HD12 ILE 59 -4.782 -0.983 0.783 235 HD13 ILE 59 HD13 ILE 59 -5.303 -2.668 1.044 236 HA PRO 60 HA PRO 60 -11.737 -3.594 5.231 237 HB2 PRO 60 HB2 PRO 60 -14.077 -2.273 4.874 238 HB3 PRO 60 HB3 PRO 60 -12.817 -1.675 5.995 239 HG2 PRO 60 HG2 PRO 60 -13.304 -0.809 3.120 240 HG3 PRO 60 HG3 PRO 60 -13.130 0.223 4.576 241 HD2 PRO 60 HD2 PRO 60 -11.035 -0.324 2.893 242 HD3 PRO 60 HD3 PRO 60 -10.811 -0.106 4.655 243 H GLN 61 H GLN 61 -13.485 -4.928 4.665 244 HA GLN 61 HA GLN 61 -13.335 -6.150 2.125 245 HB2 GLN 61 HB2 GLN 61 -15.173 -7.595 2.955 246 HB3 GLN 61 HB3 GLN 61 -13.689 -7.593 3.877 247 HG2 GLN 61 HG2 GLN 61 -15.856 -5.672 4.612 248 HG3 GLN 61 HG3 GLN 61 -16.112 -7.376 4.998 249 HE21 GLN 61 HE22 GLN 61 -12.738 -6.796 5.407 250 HE22 GLN 61 HE21 GLN 61 -12.854 -6.328 7.102 251 H GLU 62 H GLU 62 -15.198 -3.413 2.787 252 HA GLU 62 HA GLU 62 -17.686 -3.722 1.594 253 HB2 GLU 62 HB2 GLU 62 -16.885 -1.778 2.864 254 HB3 GLU 62 HB3 GLU 62 -15.724 -1.390 1.599 255 HG2 GLU 62 HG2 GLU 62 -17.621 -0.922 0.026 256 HG3 GLU 62 HG3 GLU 62 -18.748 -1.269 1.343 257 H LEU 63 H LEU 63 -14.642 -3.351 -0.019 258 HA LEU 63 HA LEU 63 -15.656 -2.412 -2.606 259 HB2 LEU 63 HB2 LEU 63 -12.866 -3.315 -1.844 260 HB3 LEU 63 HB3 LEU 63 -13.317 -2.226 -3.149 261 HG LEU 63 HG LEU 63 -13.488 -1.624 -0.147 262 HD11 LEU 63 HD11 LEU 63 -11.592 -0.733 -2.332 263 HD12 LEU 63 HD12 LEU 63 -11.568 -0.208 -0.619 264 HD13 LEU 63 HD13 LEU 63 -11.262 -1.910 -1.037 265 HD21 LEU 63 HD21 LEU 63 -15.203 -0.434 -1.400 266 HD22 LEU 63 HD22 LEU 63 -13.926 0.696 -0.908 267 HD23 LEU 63 HD23 LEU 63 -14.003 0.110 -2.597 268 H GLU 64 H GLU 64 -14.983 -5.301 -1.145 269 HA GLU 64 HA GLU 64 -14.706 -7.522 -1.678 270 HB2 GLU 64 HB2 GLU 64 -15.575 -6.862 -4.509 271 HB3 GLU 64 HB3 GLU 64 -15.370 -8.464 -3.799 272 HG2 GLU 64 HG2 GLU 64 -17.123 -7.753 -2.057 273 HG3 GLU 64 HG3 GLU 64 -17.481 -6.407 -3.112 274 H TRP 65 H TRP 65 -12.593 -5.662 -1.655 275 HA TRP 65 HA TRP 65 -10.582 -6.786 -3.557 276 HB2 TRP 65 HB2 TRP 65 -10.402 -4.518 -1.540 277 HB3 TRP 65 HB3 TRP 65 -9.058 -5.152 -2.484 278 HD1 TRP 65 HD1 TRP 65 -12.136 -4.852 -4.612 279 HE1 TRP 65 HE1 TRP 65 -11.810 -2.943 -6.274 280 HE3 TRP 65 HE3 TRP 65 -8.064 -2.622 -2.467 281 HZ2 TRP 65 HZ2 TRP 65 -10.225 -0.514 -6.435 282 HZ3 TRP 65 HZ3 TRP 65 -7.151 -0.531 -3.413 283 HH2 TRP 65 HH2 TRP 65 -8.269 0.590 -5.324 284 H SER 66 H SER 66 -8.545 -7.371 -2.625 285 HA SER 66 HA SER 66 -8.708 -8.887 -0.052 286 HB2 SER 66 HB2 SER 66 -7.758 -10.814 -1.239 287 HB3 SER 66 HB3 SER 66 -9.282 -10.336 -1.993 288 HG SER 66 HG SER 66 -8.078 -9.271 -3.615 289 H LEU 67 H LEU 67 -6.418 -9.800 0.535 290 HA LEU 67 HA LEU 67 -4.440 -7.892 0.504 291 HB2 LEU 67 HB2 LEU 67 -4.952 -10.172 1.842 292 HB3 LEU 67 HB3 LEU 67 -3.837 -10.826 0.669 293 HG LEU 67 HG LEU 67 -3.415 -9.258 3.076 294 HD11 LEU 67 HD11 LEU 67 -1.595 -10.832 1.322 295 HD12 LEU 67 HD12 LEU 67 -1.239 -10.233 2.994 296 HD13 LEU 67 HD13 LEU 67 -2.556 -11.396 2.701 297 HD21 LEU 67 HD21 LEU 67 -2.956 -7.314 1.688 298 HD22 LEU 67 HD22 LEU 67 -1.476 -7.897 2.415 299 HD23 LEU 67 HD23 LEU 67 -1.854 -8.255 0.702 300 H ALA 68 H ALA 68 -5.134 -10.535 -1.763 301 HA ALA 68 HA ALA 68 -2.773 -10.334 -3.383 302 HB1 ALA 68 HB1 ALA 68 -5.603 -11.202 -4.135 303 HB2 ALA 68 HB2 ALA 68 -4.130 -11.479 -5.080 304 HB3 ALA 68 HB3 ALA 68 -4.316 -12.256 -3.493 305 H THR 69 H THR 69 -6.002 -8.639 -3.583 306 HA THR 69 HA THR 69 -5.452 -7.114 -5.863 307 HB THR 69 HB THR 69 -6.949 -6.007 -3.462 308 HG1 THR 69 HG1 THR 69 -8.176 -7.507 -5.499 309 HG21 THR 69 HG21 THR 69 -6.970 -5.552 -6.454 310 HG22 THR 69 HG22 THR 69 -8.260 -4.945 -5.365 311 HG23 THR 69 HG23 THR 69 -6.582 -4.395 -5.175 312 H VAL 70 H VAL 70 -4.890 -6.074 -2.390 313 HA VAL 70 HA VAL 70 -3.900 -3.593 -3.284 314 HB VAL 70 HB VAL 70 -4.764 -3.939 -1.015 315 HG11 VAL 70 HG11 VAL 70 -2.202 -5.403 -0.317 316 HG12 VAL 70 HG12 VAL 70 -3.539 -4.937 0.753 317 HG13 VAL 70 HG13 VAL 70 -3.811 -6.139 -0.507 318 HG21 VAL 70 HG21 VAL 70 -3.223 -2.082 -1.570 319 HG22 VAL 70 HG22 VAL 70 -3.071 -2.585 0.141 320 HG23 VAL 70 HG23 VAL 70 -1.854 -3.080 -1.042 321 H LYS 71 H LYS 71 -2.086 -6.564 -2.492 322 HA LYS 71 HA LYS 71 0.535 -5.419 -2.793 323 HB2 LYS 71 HB2 LYS 71 -0.523 -8.251 -3.224 324 HB3 LYS 71 HB3 LYS 71 1.202 -7.810 -3.291 325 HG2 LYS 71 HG2 LYS 71 1.053 -6.863 -1.044 326 HG3 LYS 71 HG3 LYS 71 -0.623 -7.391 -0.895 327 HD2 LYS 71 HD2 LYS 71 0.149 -9.730 -1.468 328 HD3 LYS 71 HD3 LYS 71 1.820 -9.143 -1.342 329 HE2 LYS 71 HE2 LYS 71 0.983 -8.292 1.092 330 HE3 LYS 71 HE3 LYS 71 -0.264 -9.442 0.838 331 HZ1 LYS 71 HZ1 LYS 71 2.618 -10.172 0.822 332 HZ2 LYS 71 HZ2 LYS 71 1.519 -10.568 1.972 333 HZ3 LYS 71 HZ3 LYS 71 1.367 -11.214 0.513 334 H THR 72 H THR 72 -1.613 -6.837 -5.203 335 HA THR 72 HA THR 72 0.366 -6.387 -7.346 336 HB THR 72 HB THR 72 -1.334 -8.080 -7.628 337 HG1 THR 72 HG1 THR 72 -1.488 -7.687 -9.765 338 HG21 THR 72 HG21 THR 72 -3.240 -5.747 -8.024 339 HG22 THR 72 HG22 THR 72 -3.556 -7.418 -8.556 340 HG23 THR 72 HG23 THR 72 -3.365 -7.049 -6.846 341 H LEU 73 H LEU 73 -2.223 -4.308 -6.022 342 HA LEU 73 HA LEU 73 -2.193 -2.451 -8.235 343 HB2 LEU 73 HB2 LEU 73 -4.089 -3.185 -6.779 344 HB3 LEU 73 HB3 LEU 73 -3.321 -2.406 -5.402 345 HG LEU 73 HG LEU 73 -4.523 -1.060 -7.857 346 HD11 LEU 73 HD11 LEU 73 -5.287 -1.208 -4.905 347 HD12 LEU 73 HD12 LEU 73 -6.143 -0.271 -6.145 348 HD13 LEU 73 HD13 LEU 73 -6.112 -2.039 -6.241 349 HD21 LEU 73 HD21 LEU 73 -2.746 0.372 -7.176 350 HD22 LEU 73 HD22 LEU 73 -4.205 1.036 -6.427 351 HD23 LEU 73 HD23 LEU 73 -3.037 0.050 -5.456 352 H LEU 74 H LEU 74 -0.900 -2.523 -4.913 353 HA LEU 74 HA LEU 74 0.531 -0.058 -4.757 354 HB2 LEU 74 HB2 LEU 74 1.028 -2.927 -3.821 355 HB3 LEU 74 HB3 LEU 74 2.250 -1.693 -3.550 356 HG LEU 74 HG LEU 74 -0.617 -1.443 -2.589 357 HD11 LEU 74 HD11 LEU 74 1.983 -2.081 -1.148 358 HD12 LEU 74 HD12 LEU 74 0.311 -2.078 -0.465 359 HD13 LEU 74 HD13 LEU 74 0.806 -3.337 -1.622 360 HD21 LEU 74 HD21 LEU 74 0.320 0.724 -2.756 361 HD22 LEU 74 HD22 LEU 74 0.697 0.256 -1.039 362 HD23 LEU 74 HD23 LEU 74 1.924 0.174 -2.324 363 H GLY 75 H GLY 75 1.500 -3.180 -5.868 364 HA2 GLY 75 HA2 GLY 75 4.053 -2.757 -6.926 365 HA3 GLY 75 HA3 GLY 75 2.896 -3.938 -7.568 366 H ARG 76 H ARG 76 1.075 -1.506 -8.209 367 HA ARG 76 HA ARG 76 2.291 -0.812 -10.850 368 HB2 ARG 76 HB2 ARG 76 -0.528 -0.360 -9.878 369 HB3 ARG 76 HB3 ARG 76 0.104 0.086 -11.462 370 HG2 ARG 76 HG2 ARG 76 0.790 -2.650 -11.203 371 HG3 ARG 76 HG3 ARG 76 -0.827 -2.563 -10.532 372 HD2 ARG 76 HD2 ARG 76 -0.162 -1.322 -13.233 373 HD3 ARG 76 HD3 ARG 76 -0.425 -3.061 -13.064 374 HE ARG 76 HE ARG 76 -2.604 -1.529 -11.895 375 HH11 ARG 76 HH11 ARG 76 -1.447 -2.412 -15.100 376 HH12 ARG 76 HH12 ARG 76 -3.081 -2.705 -15.669 377 HH21 ARG 76 HH21 ARG 76 -4.610 -2.131 -12.690 378 HH22 ARG 76 HH22 ARG 76 -4.782 -2.395 -14.404 379 H LEU 77 H LEU 77 0.956 0.733 -7.839 380 HA LEU 77 HA LEU 77 1.356 3.432 -8.705 381 HB2 LEU 77 HB2 LEU 77 2.009 2.511 -5.883 382 HB3 LEU 77 HB3 LEU 77 1.351 4.049 -6.415 383 HG LEU 77 HG LEU 77 -0.069 1.372 -6.308 384 HD11 LEU 77 HD11 LEU 77 -0.411 3.894 -4.693 385 HD12 LEU 77 HD12 LEU 77 -1.260 2.336 -4.478 386 HD13 LEU 77 HD13 LEU 77 0.494 2.440 -4.213 387 HD21 LEU 77 HD21 LEU 77 -0.949 2.485 -8.171 388 HD22 LEU 77 HD22 LEU 77 -2.093 2.799 -6.838 389 HD23 LEU 77 HD23 LEU 77 -0.934 4.066 -7.341 390 H VAL 78 H VAL 78 3.390 1.265 -6.981 391 HA VAL 78 HA VAL 78 5.712 2.957 -6.863 392 HB VAL 78 HB VAL 78 6.756 1.556 -5.579 393 HG11 VAL 78 HG11 VAL 78 4.482 -0.390 -5.366 394 HG12 VAL 78 HG12 VAL 78 5.488 0.303 -4.113 395 HG13 VAL 78 HG13 VAL 78 4.224 1.290 -4.848 396 HG21 VAL 78 HG21 VAL 78 7.589 0.024 -7.206 397 HG22 VAL 78 HG22 VAL 78 7.014 -0.877 -5.817 398 HG23 VAL 78 HG23 VAL 78 6.019 -0.824 -7.306 399 H LYS 79 H LYS 79 4.717 0.872 -9.450 400 HA LYS 79 HA LYS 79 7.192 0.981 -10.950 401 HB2 LYS 79 HB2 LYS 79 4.556 -0.208 -11.290 402 HB3 LYS 79 HB3 LYS 79 4.939 0.793 -12.708 403 HG2 LYS 79 HG2 LYS 79 5.780 -1.162 -13.285 404 HG3 LYS 79 HG3 LYS 79 7.145 -0.183 -12.783 405 HD2 LYS 79 HD2 LYS 79 7.688 -2.184 -11.651 406 HD3 LYS 79 HD3 LYS 79 6.651 -1.414 -10.412 407 HE2 LYS 79 HE2 LYS 79 4.674 -2.496 -11.572 408 HE3 LYS 79 HE3 LYS 79 5.813 -3.367 -12.612 409 HZ1 LYS 79 HZ1 LYS 79 5.423 -3.681 -9.709 410 HZ2 LYS 79 HZ2 LYS 79 5.219 -4.816 -10.903 411 HZ3 LYS 79 HZ3 LYS 79 6.719 -4.372 -10.502 412 H LYS 80 H LYS 80 4.813 3.197 -10.340 413 HA LYS 80 HA LYS 80 5.542 5.089 -12.558 414 HB2 LYS 80 HB2 LYS 80 2.932 4.480 -11.167 415 HB3 LYS 80 HB3 LYS 80 3.207 6.143 -11.634 416 HG2 LYS 80 HG2 LYS 80 1.944 5.091 -13.319 417 HG3 LYS 80 HG3 LYS 80 3.511 5.585 -13.954 418 HD2 LYS 80 HD2 LYS 80 4.293 3.295 -14.031 419 HD3 LYS 80 HD3 LYS 80 2.920 2.741 -13.062 420 HE2 LYS 80 HE2 LYS 80 2.558 2.127 -15.376 421 HE3 LYS 80 HE3 LYS 80 1.350 3.317 -14.880 422 HZ1 LYS 80 HZ1 LYS 80 3.800 3.995 -16.408 423 HZ2 LYS 80 HZ2 LYS 80 2.404 3.634 -17.104 424 HZ3 LYS 80 HZ3 LYS 80 2.496 4.985 -16.147 425 H GLU 81 H GLU 81 4.070 7.052 -10.482 426 HA GLU 81 HA GLU 81 6.535 7.757 -8.972 427 HB2 GLU 81 HB2 GLU 81 6.409 8.741 -11.380 428 HB3 GLU 81 HB3 GLU 81 5.114 9.764 -10.772 429 HG2 GLU 81 HG2 GLU 81 6.764 10.631 -9.024 430 HG3 GLU 81 HG3 GLU 81 8.007 9.660 -9.800 431 H MET 82 H MET 82 4.044 6.690 -7.734 432 HA MET 82 HA MET 82 2.855 9.133 -6.560 433 HB2 MET 82 HB2 MET 82 1.121 7.913 -7.499 434 HB3 MET 82 HB3 MET 82 1.917 6.344 -7.277 435 HG2 MET 82 HG2 MET 82 1.490 6.220 -5.089 436 HG3 MET 82 HG3 MET 82 1.085 7.930 -4.871 437 HE1 MET 82 HE1 MET 82 -1.167 8.502 -7.160 438 HE2 MET 82 HE2 MET 82 -2.538 8.260 -6.056 439 HE3 MET 82 HE3 MET 82 -1.063 9.046 -5.468 440 H LEU 83 H LEU 83 3.870 5.774 -5.721 441 HA LEU 83 HA LEU 83 5.087 6.763 -3.184 442 HB2 LEU 83 HB2 LEU 83 3.694 4.075 -3.618 443 HB3 LEU 83 HB3 LEU 83 4.483 4.626 -2.155 444 HG LEU 83 HG LEU 83 1.775 5.329 -3.220 445 HD11 LEU 83 HD11 LEU 83 2.866 4.752 -0.450 446 HD12 LEU 83 HD12 LEU 83 1.160 4.981 -0.887 447 HD13 LEU 83 HD13 LEU 83 2.051 3.578 -1.513 448 HD21 LEU 83 HD21 LEU 83 2.616 7.511 -2.963 449 HD22 LEU 83 HD22 LEU 83 1.692 7.194 -1.502 450 HD23 LEU 83 HD23 LEU 83 3.481 7.102 -1.457 451 H SER 84 H SER 84 6.657 5.183 -2.327 452 HA SER 84 HA SER 84 7.943 3.354 -4.305 453 HB2 SER 84 HB2 SER 84 9.385 5.340 -2.492 454 HB3 SER 84 HB3 SER 84 10.114 3.838 -3.088 455 HG SER 84 HG SER 84 10.721 5.222 -4.538 456 H THR 85 H THR 85 9.400 1.852 -3.123 457 HA THR 85 HA THR 85 8.624 1.289 -0.334 458 HB THR 85 HB THR 85 7.003 0.053 -1.558 459 HG1 THR 85 HG1 THR 85 8.233 -1.067 0.100 460 HG21 THR 85 HG21 THR 85 9.207 -1.221 -3.204 461 HG22 THR 85 HG22 THR 85 7.451 -1.520 -3.320 462 HG23 THR 85 HG23 THR 85 8.118 0.068 -3.786 463 H GLU 86 H GLU 86 10.035 0.034 0.777 464 HA GLU 86 HA GLU 86 12.493 -0.980 -0.513 465 HB2 GLU 86 HB2 GLU 86 13.900 -0.062 1.279 466 HB3 GLU 86 HB3 GLU 86 13.178 1.186 0.283 467 HG2 GLU 86 HG2 GLU 86 11.474 0.599 2.616 468 HG3 GLU 86 HG3 GLU 86 13.117 0.963 3.099 469 H LYS 87 H LYS 87 13.785 -2.216 1.400 470 HA LYS 87 HA LYS 87 11.816 -4.228 2.385 471 HB2 LYS 87 HB2 LYS 87 13.103 -4.724 0.346 472 HB3 LYS 87 HB3 LYS 87 14.603 -4.319 1.202 473 HG2 LYS 87 HG2 LYS 87 13.956 -6.265 2.821 474 HG3 LYS 87 HG3 LYS 87 12.735 -6.682 1.581 475 HD2 LYS 87 HD2 LYS 87 14.635 -6.515 -0.137 476 HD3 LYS 87 HD3 LYS 87 15.743 -6.352 1.270 477 HE2 LYS 87 HE2 LYS 87 15.042 -8.453 2.142 478 HE3 LYS 87 HE3 LYS 87 13.720 -8.546 0.968 479 HZ1 LYS 87 HZ1 LYS 87 16.635 -8.708 0.226 480 HZ2 LYS 87 HZ2 LYS 87 15.611 -9.965 0.246 481 HZ3 LYS 87 HZ3 LYS 87 15.393 -8.755 -0.823 482 H GLU 88 H GLU 88 11.856 -4.619 4.450 483 HA GLU 88 HA GLU 88 14.180 -4.251 6.200 484 HB2 GLU 88 HB2 GLU 88 11.923 -2.270 6.056 485 HB3 GLU 88 HB3 GLU 88 12.467 -2.708 7.662 486 HG2 GLU 88 HG2 GLU 88 14.283 -1.634 5.476 487 HG3 GLU 88 HG3 GLU 88 13.532 -0.707 6.746 488 H GLY 89 H GLY 89 13.899 -4.949 8.339 489 HA2 GLY 89 HA2 GLY 89 13.329 -6.717 9.758 490 HA3 GLY 89 HA3 GLY 89 11.701 -6.049 9.617 491 H ARG 90 H ARG 90 13.541 -7.590 7.076 492 HA ARG 90 HA ARG 90 13.175 -9.149 5.525 493 HB2 ARG 90 HB2 ARG 90 13.203 -10.534 7.859 494 HB3 ARG 90 HB3 ARG 90 11.629 -11.040 7.241 495 HG2 ARG 90 HG2 ARG 90 12.749 -11.782 5.120 496 HG3 ARG 90 HG3 ARG 90 14.302 -11.210 5.749 497 HD2 ARG 90 HD2 ARG 90 13.980 -12.804 7.709 498 HD3 ARG 90 HD3 ARG 90 12.589 -13.468 6.859 499 HE ARG 90 HE ARG 90 14.032 -14.353 5.146 500 HH11 ARG 90 HH11 ARG 90 16.013 -12.984 7.756 501 HH12 ARG 90 HH12 ARG 90 17.311 -14.098 7.371 502 HH21 ARG 90 HH21 ARG 90 15.914 -15.420 4.624 503 HH22 ARG 90 HH22 ARG 90 17.257 -15.349 5.790 504 H LYS 91 H LYS 91 10.651 -7.448 6.573 505 HA LYS 91 HA LYS 91 8.601 -8.355 4.619 506 HB2 LYS 91 HB2 LYS 91 8.731 -6.702 7.130 507 HB3 LYS 91 HB3 LYS 91 7.635 -6.087 5.919 508 HG2 LYS 91 HG2 LYS 91 6.380 -8.153 5.822 509 HG3 LYS 91 HG3 LYS 91 7.542 -8.935 6.937 510 HD2 LYS 91 HD2 LYS 91 6.983 -7.072 8.610 511 HD3 LYS 91 HD3 LYS 91 5.702 -6.568 7.514 512 HE2 LYS 91 HE2 LYS 91 4.785 -7.914 9.296 513 HE3 LYS 91 HE3 LYS 91 4.582 -8.762 7.767 514 HZ1 LYS 91 HZ1 LYS 91 6.845 -9.245 9.639 515 HZ2 LYS 91 HZ2 LYS 91 5.477 -10.134 9.704 516 HZ3 LYS 91 HZ3 LYS 91 6.450 -10.180 8.358 517 H PHE 92 H PHE 92 7.468 -6.256 3.752 518 HA PHE 92 HA PHE 92 9.506 -4.436 2.497 519 HB2 PHE 92 HB2 PHE 92 6.749 -5.243 1.592 520 HB3 PHE 92 HB3 PHE 92 7.472 -3.708 1.131 521 HD1 PHE 92 HD2 PHE 92 9.502 -3.582 -0.157 522 HD2 PHE 92 HD1 PHE 92 7.603 -7.316 0.745 523 HE1 PHE 92 HE2 PHE 92 10.848 -4.638 -1.920 524 HE2 PHE 92 HE1 PHE 92 8.966 -8.438 -1.056 525 HZ PHE 92 HZ PHE 92 10.583 -7.096 -2.398 526 H VAL 93 H VAL 93 9.196 -2.280 2.685 527 HA VAL 93 HA VAL 93 7.133 -1.132 4.518 528 HB VAL 93 HB VAL 93 10.044 -0.412 4.034 529 HG11 VAL 93 HG11 VAL 93 7.826 1.390 5.070 530 HG12 VAL 93 HG12 VAL 93 9.559 1.702 5.343 531 HG13 VAL 93 HG13 VAL 93 8.911 1.713 3.696 532 HG21 VAL 93 HG21 VAL 93 9.495 -1.908 5.934 533 HG22 VAL 93 HG22 VAL 93 10.124 -0.346 6.477 534 HG23 VAL 93 HG23 VAL 93 8.386 -0.647 6.575 535 H TYR 94 H TYR 94 5.807 0.292 3.534 536 HA TYR 94 HA TYR 94 6.496 1.279 0.799 537 HB2 TYR 94 HB2 TYR 94 3.823 0.588 2.057 538 HB3 TYR 94 HB3 TYR 94 3.997 1.543 0.594 539 HD1 TYR 94 HD1 TYR 94 4.843 -1.864 2.068 540 HD2 TYR 94 HD2 TYR 94 4.428 0.550 -1.521 541 HE1 TYR 94 HE1 TYR 94 5.144 -3.837 0.696 542 HE2 TYR 94 HE2 TYR 94 4.706 -1.512 -2.893 543 HH TYR 94 HH TYR 94 5.424 -4.693 -1.560 544 H ARG 95 H ARG 95 6.789 3.326 0.584 545 HA ARG 95 HA ARG 95 6.028 5.269 2.728 546 HB2 ARG 95 HB2 ARG 95 8.154 4.262 3.308 547 HB3 ARG 95 HB3 ARG 95 8.788 4.506 1.681 548 HG2 ARG 95 HG2 ARG 95 8.888 6.880 1.996 549 HG3 ARG 95 HG3 ARG 95 8.088 6.798 3.569 550 HD2 ARG 95 HD2 ARG 95 10.691 5.317 3.010 551 HD3 ARG 95 HD3 ARG 95 10.669 7.039 3.401 552 HE ARG 95 HE ARG 95 9.400 5.068 5.268 553 HH11 ARG 95 HH11 ARG 95 11.956 7.429 4.770 554 HH12 ARG 95 HH12 ARG 95 12.367 7.444 6.479 555 HH21 ARG 95 HH21 ARG 95 10.160 5.091 7.471 556 HH22 ARG 95 HH22 ARG 95 11.471 6.155 7.830 557 HA PRO 96 HA PRO 96 5.624 7.860 -1.018 558 HB2 PRO 96 HB2 PRO 96 5.054 10.262 0.126 559 HB3 PRO 96 HB3 PRO 96 3.863 8.926 0.103 560 HG2 PRO 96 HG2 PRO 96 5.699 9.753 2.366 561 HG3 PRO 96 HG3 PRO 96 3.955 9.347 2.441 562 HD2 PRO 96 HD2 PRO 96 6.008 7.584 3.012 563 HD3 PRO 96 HD3 PRO 96 4.406 7.051 2.416 564 H LEU 97 H LEU 97 7.020 9.372 -2.072 565 HA LEU 97 HA LEU 97 9.705 9.216 -1.349 566 HB2 LEU 97 HB2 LEU 97 8.132 10.022 -3.583 567 HB3 LEU 97 HB3 LEU 97 9.128 11.400 -3.212 568 HG LEU 97 HG LEU 97 10.121 10.012 -4.907 569 HD11 LEU 97 HD11 LEU 97 11.739 9.770 -2.346 570 HD12 LEU 97 HD12 LEU 97 12.359 9.805 -4.007 571 HD13 LEU 97 HD13 LEU 97 11.589 11.249 -3.308 572 HD21 LEU 97 HD21 LEU 97 9.170 7.848 -4.155 573 HD22 LEU 97 HD22 LEU 97 10.908 7.757 -4.488 574 HD23 LEU 97 HD23 LEU 97 10.333 7.795 -2.820 575 H MET 98 H MET 98 7.523 11.542 -0.127 576 HA MET 98 HA MET 98 7.749 13.371 1.218 577 HB2 MET 98 HB2 MET 98 9.689 11.604 2.096 578 HB3 MET 98 HB3 MET 98 10.641 13.049 1.832 579 HG2 MET 98 HG2 MET 98 8.113 12.807 3.515 580 HG3 MET 98 HG3 MET 98 9.751 12.756 4.145 581 HE1 MET 98 HE1 MET 98 11.387 15.071 2.915 582 HE2 MET 98 HE2 MET 98 10.974 16.439 3.966 583 HE3 MET 98 HE3 MET 98 11.256 14.832 4.672 584 H GLU 99 H GLU 99 9.817 15.209 1.584 585 HA GLU 99 HA GLU 99 10.540 16.264 -1.094 586 HB2 GLU 99 HB2 GLU 99 8.346 17.207 0.005 587 HB3 GLU 99 HB3 GLU 99 9.414 18.004 1.124 588 HG2 GLU 99 HG2 GLU 99 9.325 19.709 -0.346 589 HG3 GLU 99 HG3 GLU 99 10.565 18.828 -1.220 Start of MODEL 17 1 H PHE 31 H1 PHE 31 -15.565 -4.679 -16.873 2 HA PHE 31 HA PHE 31 -16.961 -2.278 -15.897 3 HB2 PHE 31 HB2 PHE 31 -17.558 -4.382 -14.618 4 HB3 PHE 31 HB3 PHE 31 -15.856 -4.564 -14.212 5 HD1 PHE 31 HD1 PHE 31 -18.883 -2.428 -13.792 6 HD2 PHE 31 HD2 PHE 31 -14.843 -3.174 -12.449 7 HE1 PHE 31 HE1 PHE 31 -19.216 -0.857 -11.902 8 HE2 PHE 31 HE2 PHE 31 -15.174 -1.567 -10.592 9 HZ PHE 31 HZ PHE 31 -17.367 -0.416 -10.307 10 H ASN 32 H ASN 32 -15.421 -0.900 -14.497 11 HA ASN 32 HA ASN 32 -12.591 -1.566 -14.835 12 HB2 ASN 32 HB2 ASN 32 -13.386 -0.254 -16.929 13 HB3 ASN 32 HB3 ASN 32 -13.525 1.145 -15.856 14 HD21 ASN 32 HD22 ASN 32 -11.482 2.013 -14.928 15 HD22 ASN 32 HD21 ASN 32 -9.958 1.476 -15.654 16 H VAL 33 H VAL 33 -11.185 -0.236 -13.578 17 HA VAL 33 HA VAL 33 -12.214 0.465 -10.975 18 HB VAL 33 HB VAL 33 -9.864 1.151 -10.517 19 HG11 VAL 33 HG11 VAL 33 -10.119 -1.580 -11.851 20 HG12 VAL 33 HG12 VAL 33 -8.927 -1.096 -10.628 21 HG13 VAL 33 HG13 VAL 33 -10.647 -1.182 -10.210 22 HG21 VAL 33 HG21 VAL 33 -9.198 1.924 -12.798 23 HG22 VAL 33 HG22 VAL 33 -8.086 0.723 -12.133 24 HG23 VAL 33 HG23 VAL 33 -9.249 0.242 -13.371 25 H SER 34 H SER 34 -11.988 2.444 -9.914 26 HA SER 34 HA SER 34 -11.878 4.974 -11.484 27 HB2 SER 34 HB2 SER 34 -14.232 4.180 -11.492 28 HB3 SER 34 HB3 SER 34 -14.210 4.131 -9.722 29 HG SER 34 HG SER 34 -15.035 6.056 -10.109 30 H ASN 35 H ASN 35 -12.073 3.448 -8.243 31 HA ASN 35 HA ASN 35 -11.039 5.939 -6.989 32 HB2 ASN 35 HB2 ASN 35 -12.513 3.553 -5.781 33 HB3 ASN 35 HB3 ASN 35 -12.036 5.012 -4.920 34 HD21 ASN 35 HD22 ASN 35 -14.556 4.430 -4.576 35 HD22 ASN 35 HD21 ASN 35 -15.576 5.436 -5.590 36 H ALA 36 H ALA 36 -9.186 3.734 -8.209 37 HA ALA 36 HA ALA 36 -7.946 2.406 -5.918 38 HB1 ALA 36 HB1 ALA 36 -6.947 2.863 -8.761 39 HB2 ALA 36 HB2 ALA 36 -6.177 1.838 -7.538 40 HB3 ALA 36 HB3 ALA 36 -7.793 1.415 -8.161 41 H GLU 37 H GLU 37 -7.138 5.274 -7.932 42 HA GLU 37 HA GLU 37 -5.061 6.220 -6.090 43 HB2 GLU 37 HB2 GLU 37 -6.404 7.514 -8.494 44 HB3 GLU 37 HB3 GLU 37 -5.067 8.212 -7.576 45 HG2 GLU 37 HG2 GLU 37 -3.579 7.135 -8.799 46 HG3 GLU 37 HG3 GLU 37 -4.183 5.591 -8.225 47 H LEU 38 H LEU 38 -7.351 5.675 -4.692 48 HA LEU 38 HA LEU 38 -7.947 8.286 -3.444 49 HB2 LEU 38 HB2 LEU 38 -9.665 7.612 -5.311 50 HB3 LEU 38 HB3 LEU 38 -10.257 6.451 -4.127 51 HG LEU 38 HG LEU 38 -10.139 9.470 -3.757 52 HD11 LEU 38 HD11 LEU 38 -12.470 7.565 -4.267 53 HD12 LEU 38 HD12 LEU 38 -12.584 9.321 -4.019 54 HD13 LEU 38 HD13 LEU 38 -11.774 8.693 -5.456 55 HD21 LEU 38 HD21 LEU 38 -10.042 8.469 -1.556 56 HD22 LEU 38 HD22 LEU 38 -11.699 8.981 -1.827 57 HD23 LEU 38 HD23 LEU 38 -11.288 7.261 -1.981 58 H ILE 39 H ILE 39 -8.690 4.731 -3.314 59 HA ILE 39 HA ILE 39 -9.057 4.596 -0.497 60 HB ILE 39 HB ILE 39 -8.018 2.523 -2.472 61 HG12 ILE 39 HG12 ILE 39 -10.281 3.228 -3.002 62 HG13 ILE 39 HG13 ILE 39 -10.251 1.572 -2.446 63 HG21 ILE 39 HG21 ILE 39 -8.891 2.096 0.407 64 HG22 ILE 39 HG22 ILE 39 -8.736 0.799 -0.798 65 HG23 ILE 39 HG23 ILE 39 -7.315 1.726 -0.312 66 HD11 ILE 39 HD11 ILE 39 -11.171 3.986 -0.818 67 HD12 ILE 39 HD12 ILE 39 -12.196 2.754 -1.571 68 HD13 ILE 39 HD13 ILE 39 -11.134 2.304 -0.230 69 H VAL 40 H VAL 40 -6.058 3.958 -2.325 70 HA VAL 40 HA VAL 40 -4.432 3.664 0.069 71 HB VAL 40 HB VAL 40 -2.558 3.420 -1.429 72 HG11 VAL 40 HG11 VAL 40 -4.964 2.016 -2.690 73 HG12 VAL 40 HG12 VAL 40 -3.270 1.488 -2.682 74 HG13 VAL 40 HG13 VAL 40 -4.189 1.523 -1.172 75 HG21 VAL 40 HG21 VAL 40 -2.814 5.103 -3.103 76 HG22 VAL 40 HG22 VAL 40 -2.910 3.562 -3.953 77 HG23 VAL 40 HG23 VAL 40 -4.388 4.470 -3.623 78 H MET 41 H MET 41 -5.128 6.386 -2.042 79 HA MET 41 HA MET 41 -2.993 8.057 -0.887 80 HB2 MET 41 HB2 MET 41 -5.055 8.781 -3.014 81 HB3 MET 41 HB3 MET 41 -3.664 9.743 -2.486 82 HG2 MET 41 HG2 MET 41 -2.331 7.524 -3.129 83 HG3 MET 41 HG3 MET 41 -3.729 7.269 -4.171 84 HE1 MET 41 HE1 MET 41 -4.062 10.777 -4.647 85 HE2 MET 41 HE2 MET 41 -3.388 10.769 -6.287 86 HE3 MET 41 HE3 MET 41 -4.545 9.518 -5.804 87 H ARG 42 H ARG 42 -4.512 7.320 1.111 88 HA ARG 42 HA ARG 42 -5.513 9.893 2.070 89 HB2 ARG 42 HB2 ARG 42 -7.496 8.400 0.971 90 HB3 ARG 42 HB3 ARG 42 -7.454 7.629 2.557 91 HG2 ARG 42 HG2 ARG 42 -9.056 9.388 2.720 92 HG3 ARG 42 HG3 ARG 42 -7.620 10.003 3.548 93 HD2 ARG 42 HD2 ARG 42 -7.001 11.126 1.273 94 HD3 ARG 42 HD3 ARG 42 -8.630 10.674 0.752 95 HE ARG 42 HE ARG 42 -8.621 12.098 3.287 96 HH11 ARG 42 HH11 ARG 42 -8.539 12.744 -0.211 97 HH12 ARG 42 HH12 ARG 42 -9.254 14.324 0.054 98 HH21 ARG 42 HH21 ARG 42 -9.490 14.046 3.465 99 HH22 ARG 42 HH22 ARG 42 -9.872 14.972 2.026 100 H VAL 43 H VAL 43 -5.249 6.427 3.011 101 HA VAL 43 HA VAL 43 -4.707 7.215 5.764 102 HB VAL 43 HB VAL 43 -4.587 4.990 6.360 103 HG11 VAL 43 HG11 VAL 43 -6.609 5.037 4.080 104 HG12 VAL 43 HG12 VAL 43 -6.698 4.123 5.589 105 HG13 VAL 43 HG13 VAL 43 -6.823 5.880 5.636 106 HG21 VAL 43 HG21 VAL 43 -3.092 3.949 4.783 107 HG22 VAL 43 HG22 VAL 43 -4.587 3.034 4.785 108 HG23 VAL 43 HG23 VAL 43 -4.254 4.169 3.448 109 H ILE 44 H ILE 44 -2.605 5.886 3.161 110 HA ILE 44 HA ILE 44 -0.385 5.478 4.828 111 HB ILE 44 HB ILE 44 -0.503 5.952 1.825 112 HG12 ILE 44 HG12 ILE 44 -0.510 3.361 3.446 113 HG13 ILE 44 HG13 ILE 44 -1.953 4.105 2.780 114 HG21 ILE 44 HG21 ILE 44 1.676 4.724 3.574 115 HG22 ILE 44 HG22 ILE 44 1.672 4.690 1.791 116 HG23 ILE 44 HG23 ILE 44 1.796 6.227 2.643 117 HD11 ILE 44 HD11 ILE 44 0.320 3.007 1.115 118 HD12 ILE 44 HD12 ILE 44 -1.327 2.372 1.290 119 HD13 ILE 44 HD13 ILE 44 -1.073 3.940 0.503 120 H TRP 45 H TRP 45 -1.126 8.319 2.873 121 HA TRP 45 HA TRP 45 1.356 9.718 3.163 122 HB2 TRP 45 HB2 TRP 45 0.143 10.744 1.576 123 HB3 TRP 45 HB3 TRP 45 -1.396 10.259 2.251 124 HD1 TRP 45 HD1 TRP 45 1.247 12.822 3.476 125 HE1 TRP 45 HE1 TRP 45 0.031 14.959 4.161 126 HE3 TRP 45 HE3 TRP 45 -3.527 11.516 2.156 127 HZ2 TRP 45 HZ2 TRP 45 -2.626 16.071 3.959 128 HZ3 TRP 45 HZ3 TRP 45 -5.378 13.161 2.362 129 HH2 TRP 45 HH2 TRP 45 -4.940 15.438 3.260 130 H SER 46 H SER 46 -1.266 9.270 5.346 131 HA SER 46 HA SER 46 -0.582 11.515 7.174 132 HB2 SER 46 HB2 SER 46 -2.911 10.861 6.819 133 HB3 SER 46 HB3 SER 46 -2.569 9.215 7.417 134 HG SER 46 HG SER 46 -3.399 10.397 9.115 135 H LEU 47 H LEU 47 -0.171 8.022 6.949 136 HA LEU 47 HA LEU 47 0.708 7.387 9.510 137 HB2 LEU 47 HB2 LEU 47 0.025 6.275 6.941 138 HB3 LEU 47 HB3 LEU 47 1.624 5.684 7.278 139 HG LEU 47 HG LEU 47 -0.537 5.590 9.423 140 HD11 LEU 47 HD11 LEU 47 -0.177 3.622 7.140 141 HD12 LEU 47 HD12 LEU 47 -1.197 3.379 8.571 142 HD13 LEU 47 HD13 LEU 47 -1.586 4.685 7.428 143 HD21 LEU 47 HD21 LEU 47 1.860 5.170 9.861 144 HD22 LEU 47 HD22 LEU 47 0.866 3.699 10.131 145 HD23 LEU 47 HD23 LEU 47 1.857 3.879 8.651 146 H GLY 48 H GLY 48 2.586 7.789 6.530 147 HA2 GLY 48 HA2 GLY 48 4.550 9.358 6.611 148 HA3 GLY 48 HA3 GLY 48 5.042 8.542 8.104 149 H GLU 49 H GLU 49 4.948 5.989 7.713 150 HA GLU 49 HA GLU 49 5.741 5.108 5.054 151 HB2 GLU 49 HB2 GLU 49 7.642 3.930 5.738 152 HB3 GLU 49 HB3 GLU 49 7.920 5.599 6.156 153 HG2 GLU 49 HG2 GLU 49 6.985 3.644 8.289 154 HG3 GLU 49 HG3 GLU 49 8.628 3.582 7.719 155 H ALA 50 H ALA 50 5.070 2.859 4.703 156 HA ALA 50 HA ALA 50 3.737 1.590 7.072 157 HB1 ALA 50 HB1 ALA 50 2.425 2.151 4.382 158 HB2 ALA 50 HB2 ALA 50 1.720 1.190 5.714 159 HB3 ALA 50 HB3 ALA 50 2.027 2.924 5.936 160 H ARG 51 H ARG 51 3.390 -0.613 6.922 161 HA ARG 51 HA ARG 51 5.241 -1.976 5.037 162 HB2 ARG 51 HB2 ARG 51 4.314 -2.752 7.814 163 HB3 ARG 51 HB3 ARG 51 5.040 -3.937 6.709 164 HG2 ARG 51 HG2 ARG 51 7.031 -2.587 6.434 165 HG3 ARG 51 HG3 ARG 51 6.313 -1.270 7.395 166 HD2 ARG 51 HD2 ARG 51 6.395 -2.560 9.370 167 HD3 ARG 51 HD3 ARG 51 6.992 -3.999 8.522 168 HE ARG 51 HE ARG 51 9.127 -3.048 8.337 169 HH11 ARG 51 HH11 ARG 51 7.023 -0.712 9.962 170 HH12 ARG 51 HH12 ARG 51 8.347 0.283 10.491 171 HH21 ARG 51 HH21 ARG 51 10.859 -1.716 9.214 172 HH22 ARG 51 HH22 ARG 51 10.371 -0.275 10.049 173 H VAL 52 H VAL 52 4.456 -4.179 4.126 174 HA VAL 52 HA VAL 52 2.200 -3.572 2.667 175 HB VAL 52 HB VAL 52 3.001 -5.023 1.370 176 HG11 VAL 52 HG11 VAL 52 4.463 -6.351 3.716 177 HG12 VAL 52 HG12 VAL 52 4.834 -6.635 1.993 178 HG13 VAL 52 HG13 VAL 52 5.103 -5.034 2.683 179 HG21 VAL 52 HG21 VAL 52 1.231 -6.491 1.852 180 HG22 VAL 52 HG22 VAL 52 2.683 -7.467 1.589 181 HG23 VAL 52 HG23 VAL 52 2.114 -7.196 3.269 182 H ASP 53 H ASP 53 2.226 -5.485 5.526 183 HA ASP 53 HA ASP 53 -0.563 -6.413 5.336 184 HB2 ASP 53 HB2 ASP 53 0.788 -7.853 6.521 185 HB3 ASP 53 HB3 ASP 53 1.808 -6.574 7.160 186 H GLU 54 H GLU 54 1.075 -3.510 6.242 187 HA GLU 54 HA GLU 54 -0.856 -2.600 8.251 188 HB2 GLU 54 HB2 GLU 54 1.811 -2.271 8.004 189 HB3 GLU 54 HB3 GLU 54 1.345 -0.914 7.001 190 HG2 GLU 54 HG2 GLU 54 0.612 -1.406 9.885 191 HG3 GLU 54 HG3 GLU 54 1.776 -0.206 9.272 192 H ILE 55 H ILE 55 0.294 -1.714 4.987 193 HA ILE 55 HA ILE 55 -1.615 0.375 4.445 194 HB ILE 55 HB ILE 55 -1.283 -0.103 1.953 195 HG12 ILE 55 HG12 ILE 55 0.332 -2.555 3.191 196 HG13 ILE 55 HG13 ILE 55 -0.964 -2.537 2.093 197 HG21 ILE 55 HG21 ILE 55 1.377 -0.170 3.692 198 HG22 ILE 55 HG22 ILE 55 1.079 0.539 2.064 199 HG23 ILE 55 HG23 ILE 55 0.310 1.234 3.465 200 HD11 ILE 55 HD11 ILE 55 1.816 -1.673 1.660 201 HD12 ILE 55 HD12 ILE 55 0.976 -3.087 0.969 202 HD13 ILE 55 HD13 ILE 55 0.504 -1.379 0.470 203 H TYR 56 H TYR 56 -1.842 -3.158 3.921 204 HA TYR 56 HA TYR 56 -4.491 -3.250 2.869 205 HB2 TYR 56 HB2 TYR 56 -2.750 -4.917 2.723 206 HB3 TYR 56 HB3 TYR 56 -2.690 -5.134 4.429 207 HD1 TYR 56 HD2 TYR 56 -5.354 -5.200 1.794 208 HD2 TYR 56 HD1 TYR 56 -3.525 -7.087 5.152 209 HE1 TYR 56 HE2 TYR 56 -7.109 -7.013 1.700 210 HE2 TYR 56 HE1 TYR 56 -5.348 -8.843 5.186 211 HH TYR 56 HH TYR 56 -7.255 -9.622 4.109 212 H ALA 57 H ALA 57 -3.245 -3.252 6.221 213 HA ALA 57 HA ALA 57 -5.578 -4.325 7.459 214 HB1 ALA 57 HB1 ALA 57 -3.565 -2.343 8.591 215 HB2 ALA 57 HB2 ALA 57 -4.650 -3.381 9.524 216 HB3 ALA 57 HB3 ALA 57 -3.356 -4.118 8.553 217 H GLN 58 H GLN 58 -4.951 -1.097 6.237 218 HA GLN 58 HA GLN 58 -7.152 0.115 7.721 219 HB2 GLN 58 HB2 GLN 58 -4.917 0.928 5.911 220 HB3 GLN 58 HB3 GLN 58 -6.379 1.875 5.745 221 HG2 GLN 58 HG2 GLN 58 -5.031 2.945 7.340 222 HG3 GLN 58 HG3 GLN 58 -6.467 2.271 8.156 223 HE21 GLN 58 HE22 GLN 58 -2.973 1.428 7.423 224 HE22 GLN 58 HE21 GLN 58 -2.717 0.731 8.965 225 H ILE 59 H ILE 59 -7.015 -1.769 4.897 226 HA ILE 59 HA ILE 59 -9.122 -0.393 3.410 227 HB ILE 59 HB ILE 59 -7.500 -2.879 2.844 228 HG12 ILE 59 HG12 ILE 59 -7.330 0.031 1.880 229 HG13 ILE 59 HG13 ILE 59 -6.199 -0.764 2.980 230 HG21 ILE 59 HG21 ILE 59 -9.329 -1.315 0.990 231 HG22 ILE 59 HG22 ILE 59 -8.319 -2.731 0.574 232 HG23 ILE 59 HG23 ILE 59 -9.674 -2.926 1.670 233 HD11 ILE 59 HD11 ILE 59 -6.585 -1.365 0.058 234 HD12 ILE 59 HD12 ILE 59 -5.159 -0.721 0.890 235 HD13 ILE 59 HD13 ILE 59 -5.665 -2.403 1.185 236 HA PRO 60 HA PRO 60 -11.891 -2.825 6.030 237 HB2 PRO 60 HB2 PRO 60 -14.343 -1.784 5.309 238 HB3 PRO 60 HB3 PRO 60 -13.122 -0.910 6.277 239 HG2 PRO 60 HG2 PRO 60 -13.568 -0.760 3.277 240 HG3 PRO 60 HG3 PRO 60 -13.466 0.598 4.448 241 HD2 PRO 60 HD2 PRO 60 -11.306 -0.165 3.006 242 HD3 PRO 60 HD3 PRO 60 -11.130 0.303 4.725 243 H GLN 61 H GLN 61 -11.264 -3.857 3.165 244 HA GLN 61 HA GLN 61 -11.813 -5.515 1.771 245 HB2 GLN 61 HB2 GLN 61 -11.583 -6.274 4.395 246 HB3 GLN 61 HB3 GLN 61 -13.061 -7.106 3.950 247 HG2 GLN 61 HG2 GLN 61 -10.528 -7.207 2.265 248 HG3 GLN 61 HG3 GLN 61 -10.742 -8.254 3.658 249 HE21 GLN 61 HE22 GLN 61 -10.610 -8.793 0.606 250 HE22 GLN 61 HE21 GLN 61 -11.943 -9.975 0.484 251 H GLU 62 H GLU 62 -14.704 -4.239 3.070 252 HA GLU 62 HA GLU 62 -16.824 -5.613 2.094 253 HB2 GLU 62 HB2 GLU 62 -16.331 -2.612 1.893 254 HB3 GLU 62 HB3 GLU 62 -17.927 -3.357 1.698 255 HG2 GLU 62 HG2 GLU 62 -17.917 -4.197 3.935 256 HG3 GLU 62 HG3 GLU 62 -16.270 -3.661 4.232 257 H LEU 63 H LEU 63 -14.528 -4.322 0.047 258 HA LEU 63 HA LEU 63 -16.024 -4.076 -2.487 259 HB2 LEU 63 HB2 LEU 63 -13.045 -4.148 -1.958 260 HB3 LEU 63 HB3 LEU 63 -13.848 -3.481 -3.376 261 HG LEU 63 HG LEU 63 -13.989 -2.343 -0.530 262 HD11 LEU 63 HD11 LEU 63 -12.486 -1.498 -3.005 263 HD12 LEU 63 HD12 LEU 63 -12.543 -0.619 -1.449 264 HD13 LEU 63 HD13 LEU 63 -11.818 -2.247 -1.532 265 HD21 LEU 63 HD21 LEU 63 -16.019 -1.898 -1.798 266 HD22 LEU 63 HD22 LEU 63 -15.053 -0.415 -1.663 267 HD23 LEU 63 HD23 LEU 63 -15.063 -1.339 -3.191 268 H GLU 64 H GLU 64 -14.557 -6.435 -0.740 269 HA GLU 64 HA GLU 64 -14.001 -8.633 -0.907 270 HB2 GLU 64 HB2 GLU 64 -15.006 -8.678 -3.761 271 HB3 GLU 64 HB3 GLU 64 -14.597 -10.045 -2.714 272 HG2 GLU 64 HG2 GLU 64 -16.406 -9.247 -1.115 273 HG3 GLU 64 HG3 GLU 64 -16.891 -8.078 -2.340 274 H TRP 65 H TRP 65 -12.366 -6.313 -1.622 275 HA TRP 65 HA TRP 65 -10.207 -7.172 -3.373 276 HB2 TRP 65 HB2 TRP 65 -10.495 -5.011 -1.257 277 HB3 TRP 65 HB3 TRP 65 -8.958 -5.371 -2.018 278 HD1 TRP 65 HD1 TRP 65 -11.884 -5.478 -4.403 279 HE1 TRP 65 HE1 TRP 65 -11.787 -3.470 -5.971 280 HE3 TRP 65 HE3 TRP 65 -8.223 -2.739 -2.015 281 HZ2 TRP 65 HZ2 TRP 65 -10.376 -0.945 -6.129 282 HZ3 TRP 65 HZ3 TRP 65 -7.533 -0.560 -2.919 283 HH2 TRP 65 HH2 TRP 65 -8.607 0.369 -4.947 284 H SER 66 H SER 66 -9.398 -9.117 -2.848 285 HA SER 66 HA SER 66 -8.572 -9.983 -0.190 286 HB2 SER 66 HB2 SER 66 -9.054 -11.520 -2.071 287 HB3 SER 66 HB3 SER 66 -7.682 -10.837 -2.972 288 HG SER 66 HG SER 66 -7.298 -12.831 -1.785 289 H LEU 67 H LEU 67 -6.219 -10.298 0.413 290 HA LEU 67 HA LEU 67 -4.667 -8.086 0.385 291 HB2 LEU 67 HB2 LEU 67 -4.558 -10.646 1.420 292 HB3 LEU 67 HB3 LEU 67 -3.172 -10.637 0.354 293 HG LEU 67 HG LEU 67 -3.767 -9.151 2.882 294 HD11 LEU 67 HD11 LEU 67 -1.348 -10.465 1.685 295 HD12 LEU 67 HD12 LEU 67 -1.440 -9.752 3.338 296 HD13 LEU 67 HD13 LEU 67 -2.461 -11.134 2.889 297 HD21 LEU 67 HD21 LEU 67 -3.293 -7.231 1.538 298 HD22 LEU 67 HD22 LEU 67 -1.860 -7.565 2.489 299 HD23 LEU 67 HD23 LEU 67 -1.954 -8.007 0.751 300 H ALA 68 H ALA 68 -4.784 -10.500 -2.197 301 HA ALA 68 HA ALA 68 -2.406 -9.775 -3.555 302 HB1 ALA 68 HB1 ALA 68 -5.063 -10.788 -4.671 303 HB2 ALA 68 HB2 ALA 68 -3.513 -10.797 -5.535 304 HB3 ALA 68 HB3 ALA 68 -3.722 -11.799 -4.082 305 H THR 69 H THR 69 -5.686 -8.261 -3.637 306 HA THR 69 HA THR 69 -5.291 -6.681 -5.922 307 HB THR 69 HB THR 69 -7.045 -5.937 -3.556 308 HG1 THR 69 HG1 THR 69 -8.518 -6.953 -5.308 309 HG21 THR 69 HG21 THR 69 -6.902 -5.138 -6.493 310 HG22 THR 69 HG22 THR 69 -8.356 -4.855 -5.490 311 HG23 THR 69 HG23 THR 69 -6.815 -4.072 -5.088 312 H VAL 70 H VAL 70 -4.827 -5.649 -2.442 313 HA VAL 70 HA VAL 70 -4.018 -3.062 -3.274 314 HB VAL 70 HB VAL 70 -4.816 -3.598 -0.977 315 HG11 VAL 70 HG11 VAL 70 -2.050 -4.748 -0.431 316 HG12 VAL 70 HG12 VAL 70 -3.393 -4.518 0.691 317 HG13 VAL 70 HG13 VAL 70 -3.544 -5.718 -0.593 318 HG21 VAL 70 HG21 VAL 70 -3.532 -1.558 -1.507 319 HG22 VAL 70 HG22 VAL 70 -3.227 -2.117 0.161 320 HG23 VAL 70 HG23 VAL 70 -2.021 -2.412 -1.110 321 H LYS 71 H LYS 71 -2.070 -5.943 -2.581 322 HA LYS 71 HA LYS 71 0.507 -4.770 -2.915 323 HB2 LYS 71 HB2 LYS 71 -0.464 -7.598 -3.535 324 HB3 LYS 71 HB3 LYS 71 1.237 -7.101 -3.453 325 HG2 LYS 71 HG2 LYS 71 0.881 -6.342 -1.134 326 HG3 LYS 71 HG3 LYS 71 -0.769 -6.951 -1.164 327 HD2 LYS 71 HD2 LYS 71 0.230 -9.207 -1.898 328 HD3 LYS 71 HD3 LYS 71 1.804 -8.535 -1.423 329 HE2 LYS 71 HE2 LYS 71 0.347 -7.981 0.861 330 HE3 LYS 71 HE3 LYS 71 -0.581 -9.283 0.245 331 HZ1 LYS 71 HZ1 LYS 71 2.323 -9.624 0.664 332 HZ2 LYS 71 HZ2 LYS 71 1.158 -10.141 1.723 333 HZ3 LYS 71 HZ3 LYS 71 1.259 -10.784 0.237 334 H THR 72 H THR 72 -1.638 -6.214 -5.362 335 HA THR 72 HA THR 72 0.232 -5.527 -7.518 336 HB THR 72 HB THR 72 -1.377 -7.352 -7.799 337 HG1 THR 72 HG1 THR 72 -1.081 -5.202 -9.561 338 HG21 THR 72 HG21 THR 72 -3.413 -5.114 -8.204 339 HG22 THR 72 HG22 THR 72 -3.648 -6.844 -8.580 340 HG23 THR 72 HG23 THR 72 -3.402 -6.312 -6.907 341 H LEU 73 H LEU 73 -2.436 -3.624 -6.013 342 HA LEU 73 HA LEU 73 -2.550 -1.602 -8.031 343 HB2 LEU 73 HB2 LEU 73 -4.206 -2.293 -6.267 344 HB3 LEU 73 HB3 LEU 73 -3.158 -1.606 -5.039 345 HG LEU 73 HG LEU 73 -4.711 -0.139 -7.197 346 HD11 LEU 73 HD11 LEU 73 -4.898 -0.184 -4.142 347 HD12 LEU 73 HD12 LEU 73 -5.971 0.698 -5.256 348 HD13 LEU 73 HD13 LEU 73 -5.964 -1.085 -5.241 349 HD21 LEU 73 HD21 LEU 73 -2.693 1.089 -6.879 350 HD22 LEU 73 HD22 LEU 73 -3.924 1.910 -5.904 351 HD23 LEU 73 HD23 LEU 73 -2.710 0.817 -5.131 352 H LEU 74 H LEU 74 -0.763 -1.920 -4.941 353 HA LEU 74 HA LEU 74 0.856 0.416 -4.964 354 HB2 LEU 74 HB2 LEU 74 1.588 -2.441 -4.248 355 HB3 LEU 74 HB3 LEU 74 2.621 -1.065 -3.918 356 HG LEU 74 HG LEU 74 -0.152 -1.460 -2.784 357 HD11 LEU 74 HD11 LEU 74 2.167 -1.584 -0.999 358 HD12 LEU 74 HD12 LEU 74 0.846 -2.791 -1.270 359 HD13 LEU 74 HD13 LEU 74 2.303 -2.808 -2.245 360 HD21 LEU 74 HD21 LEU 74 0.376 0.835 -2.975 361 HD22 LEU 74 HD22 LEU 74 0.655 0.379 -1.264 362 HD23 LEU 74 HD23 LEU 74 2.036 0.588 -2.402 363 H GLY 75 H GLY 75 1.505 -2.701 -6.266 364 HA2 GLY 75 HA2 GLY 75 3.992 -2.367 -7.497 365 HA3 GLY 75 HA3 GLY 75 2.739 -3.470 -8.109 366 H ARG 76 H ARG 76 0.953 -1.013 -8.531 367 HA ARG 76 HA ARG 76 1.981 -0.211 -11.221 368 HB2 ARG 76 HB2 ARG 76 -0.681 0.475 -9.972 369 HB3 ARG 76 HB3 ARG 76 -0.152 0.819 -11.618 370 HG2 ARG 76 HG2 ARG 76 0.144 -1.964 -11.478 371 HG3 ARG 76 HG3 ARG 76 -1.268 -1.662 -10.474 372 HD2 ARG 76 HD2 ARG 76 -2.186 -2.005 -12.562 373 HD3 ARG 76 HD3 ARG 76 -2.159 -0.239 -12.468 374 HE ARG 76 HE ARG 76 0.251 -0.869 -13.695 375 HH11 ARG 76 HH11 ARG 76 -3.054 -1.735 -14.470 376 HH12 ARG 76 HH12 ARG 76 -2.652 -2.309 -16.054 377 HH21 ARG 76 HH21 ARG 76 0.652 -1.334 -15.924 378 HH22 ARG 76 HH22 ARG 76 -0.663 -1.972 -16.847 379 H LEU 77 H LEU 77 0.962 1.245 -8.023 380 HA LEU 77 HA LEU 77 1.452 3.960 -8.742 381 HB2 LEU 77 HB2 LEU 77 2.309 2.708 -6.100 382 HB3 LEU 77 HB3 LEU 77 1.760 4.358 -6.407 383 HG LEU 77 HG LEU 77 0.118 1.816 -6.364 384 HD11 LEU 77 HD11 LEU 77 0.068 4.260 -4.614 385 HD12 LEU 77 HD12 LEU 77 -0.837 2.734 -4.404 386 HD13 LEU 77 HD13 LEU 77 0.934 2.742 -4.264 387 HD21 LEU 77 HD21 LEU 77 -0.857 3.054 -8.059 388 HD22 LEU 77 HD22 LEU 77 -1.832 3.440 -6.608 389 HD23 LEU 77 HD23 LEU 77 -0.602 4.597 -7.211 390 H VAL 78 H VAL 78 3.537 1.586 -7.307 391 HA VAL 78 HA VAL 78 5.919 3.191 -7.459 392 HB VAL 78 HB VAL 78 6.909 1.842 -6.118 393 HG11 VAL 78 HG11 VAL 78 4.783 -0.289 -6.137 394 HG12 VAL 78 HG12 VAL 78 5.923 0.125 -4.855 395 HG13 VAL 78 HG13 VAL 78 4.592 1.240 -5.246 396 HG21 VAL 78 HG21 VAL 78 7.849 0.528 -7.941 397 HG22 VAL 78 HG22 VAL 78 7.624 -0.365 -6.442 398 HG23 VAL 78 HG23 VAL 78 6.466 -0.600 -7.803 399 H LYS 79 H LYS 79 4.688 0.800 -9.869 400 HA LYS 79 HA LYS 79 6.942 1.121 -11.579 401 HB2 LYS 79 HB2 LYS 79 4.230 0.030 -11.908 402 HB3 LYS 79 HB3 LYS 79 4.715 1.038 -13.298 403 HG2 LYS 79 HG2 LYS 79 5.431 -1.054 -13.847 404 HG3 LYS 79 HG3 LYS 79 6.819 -0.067 -13.408 405 HD2 LYS 79 HD2 LYS 79 7.351 -2.056 -12.282 406 HD3 LYS 79 HD3 LYS 79 6.446 -1.194 -11.005 407 HE2 LYS 79 HE2 LYS 79 4.358 -2.297 -11.830 408 HE3 LYS 79 HE3 LYS 79 5.312 -3.190 -13.028 409 HZ1 LYS 79 HZ1 LYS 79 5.440 -3.487 -10.087 410 HZ2 LYS 79 HZ2 LYS 79 5.051 -4.654 -11.190 411 HZ3 LYS 79 HZ3 LYS 79 6.587 -4.118 -11.078 412 H LYS 80 H LYS 80 4.266 3.274 -11.051 413 HA LYS 80 HA LYS 80 5.368 5.249 -13.017 414 HB2 LYS 80 HB2 LYS 80 2.771 5.406 -11.441 415 HB3 LYS 80 HB3 LYS 80 3.340 6.532 -12.677 416 HG2 LYS 80 HG2 LYS 80 3.470 4.268 -14.142 417 HG3 LYS 80 HG3 LYS 80 2.198 3.791 -13.015 418 HD2 LYS 80 HD2 LYS 80 2.238 6.156 -14.933 419 HD3 LYS 80 HD3 LYS 80 1.199 4.731 -15.003 420 HE2 LYS 80 HE2 LYS 80 0.222 5.510 -12.756 421 HE3 LYS 80 HE3 LYS 80 1.106 7.028 -13.002 422 HZ1 LYS 80 HZ1 LYS 80 -1.001 5.873 -14.732 423 HZ2 LYS 80 HZ2 LYS 80 -1.128 7.245 -13.857 424 HZ3 LYS 80 HZ3 LYS 80 -0.152 7.229 -15.163 425 H GLU 81 H GLU 81 6.670 4.650 -10.346 426 HA GLU 81 HA GLU 81 7.949 5.759 -8.868 427 HB2 GLU 81 HB2 GLU 81 7.981 7.319 -11.279 428 HB3 GLU 81 HB3 GLU 81 7.865 8.459 -9.974 429 HG2 GLU 81 HG2 GLU 81 10.151 8.243 -10.245 430 HG3 GLU 81 HG3 GLU 81 9.841 7.190 -8.866 431 H MET 82 H MET 82 4.717 6.221 -8.562 432 HA MET 82 HA MET 82 4.662 8.789 -7.193 433 HB2 MET 82 HB2 MET 82 2.691 8.473 -8.258 434 HB3 MET 82 HB3 MET 82 2.839 6.720 -8.301 435 HG2 MET 82 HG2 MET 82 2.153 6.508 -6.050 436 HG3 MET 82 HG3 MET 82 1.943 8.263 -5.870 437 HE1 MET 82 HE1 MET 82 0.482 9.207 -8.556 438 HE2 MET 82 HE2 MET 82 -1.203 9.024 -8.021 439 HE3 MET 82 HE3 MET 82 0.023 9.631 -6.888 440 H LEU 83 H LEU 83 5.293 5.535 -6.437 441 HA LEU 83 HA LEU 83 5.696 6.016 -3.547 442 HB2 LEU 83 HB2 LEU 83 3.881 4.039 -4.907 443 HB3 LEU 83 HB3 LEU 83 4.999 3.282 -3.814 444 HG LEU 83 HG LEU 83 2.706 3.837 -2.921 445 HD11 LEU 83 HD11 LEU 83 5.039 5.003 -1.373 446 HD12 LEU 83 HD12 LEU 83 3.511 4.415 -0.694 447 HD13 LEU 83 HD13 LEU 83 4.648 3.277 -1.456 448 HD21 LEU 83 HD21 LEU 83 2.756 6.160 -3.945 449 HD22 LEU 83 HD22 LEU 83 2.216 6.090 -2.238 450 HD23 LEU 83 HD23 LEU 83 3.870 6.621 -2.651 451 H SER 84 H SER 84 7.255 4.682 -2.676 452 HA SER 84 HA SER 84 8.624 2.735 -4.471 453 HB2 SER 84 HB2 SER 84 10.151 4.797 -2.848 454 HB3 SER 84 HB3 SER 84 10.824 3.263 -3.441 455 HG SER 84 HG SER 84 11.222 4.884 -4.958 456 H THR 85 H THR 85 10.022 1.229 -3.180 457 HA THR 85 HA THR 85 9.159 0.915 -0.395 458 HB THR 85 HB THR 85 7.337 0.089 -1.725 459 HG1 THR 85 HG1 THR 85 7.083 -1.770 -0.770 460 HG21 THR 85 HG21 THR 85 9.026 -2.074 -2.937 461 HG22 THR 85 HG22 THR 85 7.428 -1.420 -3.478 462 HG23 THR 85 HG23 THR 85 8.904 -0.499 -3.747 463 H GLU 86 H GLU 86 10.472 -0.309 0.844 464 HA GLU 86 HA GLU 86 12.579 -2.002 -0.429 465 HB2 GLU 86 HB2 GLU 86 14.389 -1.195 0.903 466 HB3 GLU 86 HB3 GLU 86 13.755 0.071 -0.129 467 HG2 GLU 86 HG2 GLU 86 12.825 1.273 1.715 468 HG3 GLU 86 HG3 GLU 86 12.961 -0.120 2.793 469 H LYS 87 H LYS 87 13.661 -3.608 1.028 470 HA LYS 87 HA LYS 87 11.717 -4.914 2.688 471 HB2 LYS 87 HB2 LYS 87 13.548 -5.946 1.220 472 HB3 LYS 87 HB3 LYS 87 14.697 -5.497 2.491 473 HG2 LYS 87 HG2 LYS 87 13.149 -6.813 4.105 474 HG3 LYS 87 HG3 LYS 87 12.275 -7.337 2.653 475 HD2 LYS 87 HD2 LYS 87 14.618 -8.108 1.782 476 HD3 LYS 87 HD3 LYS 87 15.137 -7.883 3.477 477 HE2 LYS 87 HE2 LYS 87 13.256 -9.355 4.188 478 HE3 LYS 87 HE3 LYS 87 12.815 -9.563 2.493 479 HZ1 LYS 87 HZ1 LYS 87 15.377 -10.488 3.746 480 HZ2 LYS 87 HZ2 LYS 87 14.167 -11.444 3.237 481 HZ3 LYS 87 HZ3 LYS 87 15.055 -10.608 2.144 482 H GLU 88 H GLU 88 11.269 -4.532 4.756 483 HA GLU 88 HA GLU 88 13.288 -3.793 6.747 484 HB2 GLU 88 HB2 GLU 88 11.584 -1.861 5.361 485 HB3 GLU 88 HB3 GLU 88 11.143 -1.925 7.057 486 HG2 GLU 88 HG2 GLU 88 13.996 -1.557 6.065 487 HG3 GLU 88 HG3 GLU 88 12.865 -0.267 6.461 488 H GLY 89 H GLY 89 12.837 -5.083 8.491 489 HA2 GLY 89 HA2 GLY 89 11.671 -6.311 10.054 490 HA3 GLY 89 HA3 GLY 89 10.195 -5.468 9.579 491 H ARG 90 H ARG 90 12.380 -7.687 7.841 492 HA ARG 90 HA ARG 90 12.132 -9.453 6.436 493 HB2 ARG 90 HB2 ARG 90 9.757 -10.085 8.230 494 HB3 ARG 90 HB3 ARG 90 10.115 -11.019 6.797 495 HG2 ARG 90 HG2 ARG 90 11.030 -12.177 8.652 496 HG3 ARG 90 HG3 ARG 90 12.337 -11.590 7.626 497 HD2 ARG 90 HD2 ARG 90 12.953 -11.341 9.940 498 HD3 ARG 90 HD3 ARG 90 12.759 -9.745 9.209 499 HE ARG 90 HE ARG 90 10.298 -10.538 10.502 500 HH11 ARG 90 HH11 ARG 90 13.538 -9.437 11.338 501 HH12 ARG 90 HH12 ARG 90 12.988 -8.728 12.839 502 HH21 ARG 90 HH21 ARG 90 9.692 -9.667 12.338 503 HH22 ARG 90 HH22 ARG 90 10.780 -8.740 13.342 504 H LYS 91 H LYS 91 9.058 -7.874 6.873 505 HA LYS 91 HA LYS 91 8.063 -8.253 4.146 506 HB2 LYS 91 HB2 LYS 91 7.144 -6.904 6.703 507 HB3 LYS 91 HB3 LYS 91 6.284 -6.591 5.202 508 HG2 LYS 91 HG2 LYS 91 5.619 -8.826 4.904 509 HG3 LYS 91 HG3 LYS 91 6.769 -9.454 6.122 510 HD2 LYS 91 HD2 LYS 91 5.545 -8.203 7.888 511 HD3 LYS 91 HD3 LYS 91 4.452 -7.594 6.648 512 HE2 LYS 91 HE2 LYS 91 3.336 -9.309 7.907 513 HE3 LYS 91 HE3 LYS 91 3.566 -9.897 6.270 514 HZ1 LYS 91 HZ1 LYS 91 4.018 -11.394 8.290 515 HZ2 LYS 91 HZ2 LYS 91 5.060 -11.530 7.045 516 HZ3 LYS 91 HZ3 LYS 91 5.472 -10.694 8.415 517 H PHE 92 H PHE 92 7.015 -5.994 3.369 518 HA PHE 92 HA PHE 92 9.425 -4.338 2.629 519 HB2 PHE 92 HB2 PHE 92 6.826 -4.975 1.237 520 HB3 PHE 92 HB3 PHE 92 7.707 -3.498 0.872 521 HD1 PHE 92 HD1 PHE 92 7.890 -7.174 0.866 522 HD2 PHE 92 HD2 PHE 92 9.816 -3.500 -0.251 523 HE1 PHE 92 HE1 PHE 92 9.604 -8.464 -0.454 524 HE2 PHE 92 HE2 PHE 92 11.502 -4.748 -1.558 525 HZ PHE 92 HZ PHE 92 11.420 -7.245 -1.648 526 H VAL 93 H VAL 93 9.473 -2.185 3.041 527 HA VAL 93 HA VAL 93 7.127 -0.834 4.294 528 HB VAL 93 HB VAL 93 10.086 -0.151 4.296 529 HG11 VAL 93 HG11 VAL 93 7.711 1.661 4.936 530 HG12 VAL 93 HG12 VAL 93 9.377 1.970 5.490 531 HG13 VAL 93 HG13 VAL 93 9.020 1.960 3.761 532 HG21 VAL 93 HG21 VAL 93 9.098 -1.626 6.077 533 HG22 VAL 93 HG22 VAL 93 9.712 -0.083 6.713 534 HG23 VAL 93 HG23 VAL 93 7.970 -0.323 6.488 535 H TYR 94 H TYR 94 5.889 -0.016 2.860 536 HA TYR 94 HA TYR 94 6.833 1.107 0.285 537 HB2 TYR 94 HB2 TYR 94 4.080 0.561 1.481 538 HB3 TYR 94 HB3 TYR 94 4.332 1.420 -0.025 539 HD1 TYR 94 HD2 TYR 94 4.729 -1.892 1.647 540 HD2 TYR 94 HD1 TYR 94 4.899 0.286 -2.065 541 HE1 TYR 94 HE2 TYR 94 4.833 -4.043 0.373 542 HE2 TYR 94 HE1 TYR 94 4.997 -1.858 -3.322 543 HH TYR 94 HH TYR 94 5.029 -4.159 -3.182 544 H ARG 95 H ARG 95 7.345 3.153 0.224 545 HA ARG 95 HA ARG 95 6.083 5.167 2.026 546 HB2 ARG 95 HB2 ARG 95 8.322 6.045 2.636 547 HB3 ARG 95 HB3 ARG 95 8.021 4.439 3.272 548 HG2 ARG 95 HG2 ARG 95 9.569 3.404 1.867 549 HG3 ARG 95 HG3 ARG 95 9.489 4.648 0.628 550 HD2 ARG 95 HD2 ARG 95 10.698 5.109 3.377 551 HD3 ARG 95 HD3 ARG 95 11.618 4.629 1.936 552 HE ARG 95 HE ARG 95 10.074 6.911 1.219 553 HH11 ARG 95 HH11 ARG 95 12.735 6.292 3.409 554 HH12 ARG 95 HH12 ARG 95 13.418 7.873 3.151 555 HH21 ARG 95 HH21 ARG 95 10.896 8.790 0.945 556 HH22 ARG 95 HH22 ARG 95 12.445 9.258 1.635 557 HA PRO 96 HA PRO 96 6.587 7.853 -1.539 558 HB2 PRO 96 HB2 PRO 96 6.250 10.316 -0.454 559 HB3 PRO 96 HB3 PRO 96 4.929 9.104 -0.463 560 HG2 PRO 96 HG2 PRO 96 6.872 9.713 1.796 561 HG3 PRO 96 HG3 PRO 96 5.085 9.633 1.877 562 HD2 PRO 96 HD2 PRO 96 6.670 7.518 2.548 563 HD3 PRO 96 HD3 PRO 96 5.088 7.287 1.748 564 H LEU 97 H LEU 97 7.963 9.494 -2.465 565 HA LEU 97 HA LEU 97 10.544 10.146 -1.173 566 HB2 LEU 97 HB2 LEU 97 11.582 9.666 -3.271 567 HB3 LEU 97 HB3 LEU 97 10.998 8.356 -2.254 568 HG LEU 97 HG LEU 97 9.033 8.010 -3.674 569 HD11 LEU 97 HD11 LEU 97 10.250 10.295 -5.272 570 HD12 LEU 97 HD12 LEU 97 9.018 9.180 -5.913 571 HD13 LEU 97 HD13 LEU 97 8.635 10.232 -4.537 572 HD21 LEU 97 HD21 LEU 97 11.072 6.885 -3.858 573 HD22 LEU 97 HD22 LEU 97 10.365 7.108 -5.488 574 HD23 LEU 97 HD23 LEU 97 11.752 8.130 -4.943 575 H MET 98 H MET 98 11.793 11.709 -2.697 576 HA MET 98 HA MET 98 12.101 13.897 -3.196 577 HB2 MET 98 HB2 MET 98 9.934 12.969 -5.065 578 HB3 MET 98 HB3 MET 98 10.450 14.650 -5.125 579 HG2 MET 98 HG2 MET 98 11.649 13.385 -6.743 580 HG3 MET 98 HG3 MET 98 12.734 14.085 -5.556 581 HE1 MET 98 HE1 MET 98 13.931 12.559 -3.587 582 HE2 MET 98 HE2 MET 98 14.823 11.241 -4.364 583 HE3 MET 98 HE3 MET 98 14.811 12.856 -5.098 584 H GLU 99 H GLU 99 10.818 13.713 -0.812 585 HA GLU 99 HA GLU 99 10.707 15.385 0.755 586 HB2 GLU 99 HB2 GLU 99 11.078 17.127 -1.035 587 HB3 GLU 99 HB3 GLU 99 9.319 17.290 -1.141 588 HG2 GLU 99 HG2 GLU 99 9.205 17.925 1.229 589 HG3 GLU 99 HG3 GLU 99 10.941 17.615 1.423 Start of MODEL 18 1 H PHE 31 H1 PHE 31 -8.786 17.814 -11.823 2 HA PHE 31 HA PHE 31 -11.498 16.799 -11.416 3 HB2 PHE 31 HB2 PHE 31 -11.480 15.796 -13.587 4 HB3 PHE 31 HB3 PHE 31 -11.299 17.528 -13.756 5 HD1 PHE 31 HD2 PHE 31 -9.590 14.247 -14.094 6 HD2 PHE 31 HD1 PHE 31 -9.275 18.505 -14.764 7 HE1 PHE 31 HE2 PHE 31 -7.650 13.871 -15.587 8 HE2 PHE 31 HE1 PHE 31 -7.335 18.117 -16.248 9 HZ PHE 31 HZ PHE 31 -6.515 15.802 -16.668 10 H ASN 32 H ASN 32 -11.481 14.361 -11.332 11 HA ASN 32 HA ASN 32 -8.830 13.094 -10.965 12 HB2 ASN 32 HB2 ASN 32 -10.562 13.937 -8.747 13 HB3 ASN 32 HB3 ASN 32 -10.511 12.190 -8.806 14 HD21 ASN 32 HD22 ASN 32 -9.605 12.978 -6.577 15 HD22 ASN 32 HD21 ASN 32 -7.843 13.080 -6.542 16 H VAL 33 H VAL 33 -8.846 11.102 -11.831 17 HA VAL 33 HA VAL 33 -11.406 9.671 -12.401 18 HB VAL 33 HB VAL 33 -10.727 9.367 -14.752 19 HG11 VAL 33 HG11 VAL 33 -10.916 12.314 -14.041 20 HG12 VAL 33 HG12 VAL 33 -11.324 11.543 -15.583 21 HG13 VAL 33 HG13 VAL 33 -12.281 11.185 -14.138 22 HG21 VAL 33 HG21 VAL 33 -8.263 9.725 -14.514 23 HG22 VAL 33 HG22 VAL 33 -8.987 10.711 -15.787 24 HG23 VAL 33 HG23 VAL 33 -8.559 11.454 -14.235 25 H SER 34 H SER 34 -8.731 9.230 -10.806 26 HA SER 34 HA SER 34 -7.252 7.180 -11.955 27 HB2 SER 34 HB2 SER 34 -7.371 7.440 -8.974 28 HB3 SER 34 HB3 SER 34 -5.977 7.385 -10.062 29 HG SER 34 HG SER 34 -6.172 9.421 -9.203 30 H ASN 35 H ASN 35 -10.265 6.494 -11.269 31 HA ASN 35 HA ASN 35 -11.450 5.159 -9.738 32 HB2 ASN 35 HB2 ASN 35 -10.568 3.760 -12.257 33 HB3 ASN 35 HB3 ASN 35 -11.679 2.978 -11.130 34 HD21 ASN 35 HD22 ASN 35 -13.822 3.344 -11.535 35 HD22 ASN 35 HD21 ASN 35 -14.409 4.755 -12.418 36 H ALA 36 H ALA 36 -8.589 3.027 -10.437 37 HA ALA 36 HA ALA 36 -9.117 1.280 -8.197 38 HB1 ALA 36 HB1 ALA 36 -6.540 1.927 -9.710 39 HB2 ALA 36 HB2 ALA 36 -6.725 0.609 -8.551 40 HB3 ALA 36 HB3 ALA 36 -7.673 0.595 -10.061 41 H GLU 37 H GLU 37 -7.054 4.238 -8.505 42 HA GLU 37 HA GLU 37 -6.281 3.840 -5.674 43 HB2 GLU 37 HB2 GLU 37 -4.467 5.385 -6.025 44 HB3 GLU 37 HB3 GLU 37 -4.421 3.919 -6.993 45 HG2 GLU 37 HG2 GLU 37 -5.247 5.212 -8.969 46 HG3 GLU 37 HG3 GLU 37 -5.146 6.693 -8.000 47 H LEU 38 H LEU 38 -8.279 4.380 -4.843 48 HA LEU 38 HA LEU 38 -8.493 7.338 -4.357 49 HB2 LEU 38 HB2 LEU 38 -10.535 5.120 -4.360 50 HB3 LEU 38 HB3 LEU 38 -10.778 6.476 -3.262 51 HG LEU 38 HG LEU 38 -10.262 6.918 -6.221 52 HD11 LEU 38 HD11 LEU 38 -12.935 6.609 -4.783 53 HD12 LEU 38 HD12 LEU 38 -12.716 7.177 -6.453 54 HD13 LEU 38 HD13 LEU 38 -12.260 5.524 -6.024 55 HD21 LEU 38 HD21 LEU 38 -9.978 8.896 -4.706 56 HD22 LEU 38 HD22 LEU 38 -11.361 9.073 -5.789 57 HD23 LEU 38 HD23 LEU 38 -11.624 8.636 -4.087 58 H ILE 39 H ILE 39 -9.415 4.560 -2.263 59 HA ILE 39 HA ILE 39 -8.663 5.879 0.109 60 HB ILE 39 HB ILE 39 -8.859 3.889 1.276 61 HG12 ILE 39 HG12 ILE 39 -9.490 2.453 -1.351 62 HG13 ILE 39 HG13 ILE 39 -7.920 2.329 -0.530 63 HG21 ILE 39 HG21 ILE 39 -11.087 4.336 -0.773 64 HG22 ILE 39 HG22 ILE 39 -11.268 3.685 0.865 65 HG23 ILE 39 HG23 ILE 39 -10.775 5.352 0.650 66 HD11 ILE 39 HD11 ILE 39 -10.603 1.607 0.656 67 HD12 ILE 39 HD12 ILE 39 -9.279 0.498 0.226 68 HD13 ILE 39 HD13 ILE 39 -9.072 1.688 1.551 69 H VAL 40 H VAL 40 -6.565 3.805 -1.894 70 HA VAL 40 HA VAL 40 -4.424 3.627 -0.016 71 HB VAL 40 HB VAL 40 -2.997 2.959 -1.806 72 HG11 VAL 40 HG11 VAL 40 -5.768 1.857 -2.442 73 HG12 VAL 40 HG12 VAL 40 -4.198 1.063 -2.655 74 HG13 VAL 40 HG13 VAL 40 -4.802 1.388 -1.020 75 HG21 VAL 40 HG21 VAL 40 -3.487 4.582 -3.575 76 HG22 VAL 40 HG22 VAL 40 -3.665 2.956 -4.196 77 HG23 VAL 40 HG23 VAL 40 -5.118 3.906 -3.776 78 H MET 41 H MET 41 -5.376 6.251 -2.142 79 HA MET 41 HA MET 41 -2.879 7.699 -1.949 80 HB2 MET 41 HB2 MET 41 -4.664 7.700 -3.856 81 HB3 MET 41 HB3 MET 41 -5.520 8.874 -2.843 82 HG2 MET 41 HG2 MET 41 -3.477 10.326 -2.868 83 HG3 MET 41 HG3 MET 41 -2.660 9.132 -3.878 84 HE1 MET 41 HE1 MET 41 -5.216 8.472 -6.072 85 HE2 MET 41 HE2 MET 41 -4.418 9.447 -7.312 86 HE3 MET 41 HE3 MET 41 -3.461 8.434 -6.210 87 H ARG 42 H ARG 42 -5.209 7.185 0.428 88 HA ARG 42 HA ARG 42 -4.361 9.730 1.780 89 HB2 ARG 42 HB2 ARG 42 -7.139 8.502 1.834 90 HB3 ARG 42 HB3 ARG 42 -6.551 9.774 2.972 91 HG2 ARG 42 HG2 ARG 42 -6.072 11.207 0.954 92 HG3 ARG 42 HG3 ARG 42 -6.865 10.034 -0.051 93 HD2 ARG 42 HD2 ARG 42 -8.923 10.239 1.321 94 HD3 ARG 42 HD3 ARG 42 -8.095 11.459 2.336 95 HE ARG 42 HE ARG 42 -7.862 12.498 -0.209 96 HH11 ARG 42 HH11 ARG 42 -10.556 11.803 1.943 97 HH12 ARG 42 HH12 ARG 42 -11.545 13.017 1.178 98 HH21 ARG 42 HH21 ARG 42 -9.205 13.892 -1.156 99 HH22 ARG 42 HH22 ARG 42 -10.781 14.218 -0.438 100 H VAL 43 H VAL 43 -5.699 6.466 2.466 101 HA VAL 43 HA VAL 43 -5.229 6.654 5.315 102 HB VAL 43 HB VAL 43 -5.542 4.336 5.451 103 HG11 VAL 43 HG11 VAL 43 -7.238 5.237 3.120 104 HG12 VAL 43 HG12 VAL 43 -7.621 3.950 4.273 105 HG13 VAL 43 HG13 VAL 43 -7.515 5.629 4.826 106 HG21 VAL 43 HG21 VAL 43 -4.089 3.223 4.004 107 HG22 VAL 43 HG22 VAL 43 -5.683 2.835 3.358 108 HG23 VAL 43 HG23 VAL 43 -4.718 4.079 2.571 109 H ILE 44 H ILE 44 -2.852 5.673 2.775 110 HA ILE 44 HA ILE 44 -0.832 4.927 4.761 111 HB ILE 44 HB ILE 44 -0.682 5.551 1.755 112 HG12 ILE 44 HG12 ILE 44 -1.011 2.872 3.167 113 HG13 ILE 44 HG13 ILE 44 -2.300 3.724 2.375 114 HG21 ILE 44 HG21 ILE 44 1.243 4.174 3.682 115 HG22 ILE 44 HG22 ILE 44 1.442 4.189 1.910 116 HG23 ILE 44 HG23 ILE 44 1.500 5.692 2.820 117 HD11 ILE 44 HD11 ILE 44 0.120 2.649 0.932 118 HD12 ILE 44 HD12 ILE 44 -1.566 2.068 0.858 119 HD13 ILE 44 HD13 ILE 44 -1.166 3.687 0.243 120 H TRP 45 H TRP 45 -1.660 7.880 2.920 121 HA TRP 45 HA TRP 45 0.894 9.185 3.147 122 HB2 TRP 45 HB2 TRP 45 -0.628 9.855 1.399 123 HB3 TRP 45 HB3 TRP 45 -1.939 10.126 2.565 124 HD1 TRP 45 HD1 TRP 45 -2.090 12.380 3.766 125 HE1 TRP 45 HE1 TRP 45 -0.696 14.531 3.869 126 HE3 TRP 45 HE3 TRP 45 1.923 10.892 0.959 127 HZ2 TRP 45 HZ2 TRP 45 1.758 15.547 2.745 128 HZ3 TRP 45 HZ3 TRP 45 3.804 12.463 0.530 129 HH2 TRP 45 HH2 TRP 45 3.727 14.781 1.414 130 H SER 46 H SER 46 -1.759 8.749 5.273 131 HA SER 46 HA SER 46 -1.217 11.126 6.952 132 HB2 SER 46 HB2 SER 46 -3.005 10.304 8.369 133 HB3 SER 46 HB3 SER 46 -3.485 10.269 6.647 134 HG SER 46 HG SER 46 -4.036 8.314 7.703 135 H LEU 47 H LEU 47 -0.270 7.730 6.947 136 HA LEU 47 HA LEU 47 1.220 7.802 9.499 137 HB2 LEU 47 HB2 LEU 47 1.142 5.952 7.125 138 HB3 LEU 47 HB3 LEU 47 2.392 5.868 8.360 139 HG LEU 47 HG LEU 47 0.740 5.451 10.117 140 HD11 LEU 47 HD11 LEU 47 -1.272 5.449 7.827 141 HD12 LEU 47 HD12 LEU 47 -1.579 4.758 9.435 142 HD13 LEU 47 HD13 LEU 47 -1.307 6.504 9.257 143 HD21 LEU 47 HD21 LEU 47 1.881 3.740 8.798 144 HD22 LEU 47 HD22 LEU 47 0.246 3.188 9.259 145 HD23 LEU 47 HD23 LEU 47 0.571 3.775 7.596 146 H GLY 48 H GLY 48 2.126 7.492 6.124 147 HA2 GLY 48 HA2 GLY 48 3.599 9.072 4.910 148 HA3 GLY 48 HA3 GLY 48 4.533 9.279 6.395 149 H GLU 49 H GLU 49 4.535 6.478 7.168 150 HA GLU 49 HA GLU 49 5.843 5.011 4.976 151 HB2 GLU 49 HB2 GLU 49 7.624 6.065 6.408 152 HB3 GLU 49 HB3 GLU 49 6.895 5.266 7.830 153 HG2 GLU 49 HG2 GLU 49 7.210 3.098 6.860 154 HG3 GLU 49 HG3 GLU 49 8.024 3.822 5.461 155 H ALA 50 H ALA 50 5.017 2.961 4.899 156 HA ALA 50 HA ALA 50 3.551 1.861 7.280 157 HB1 ALA 50 HB1 ALA 50 2.563 2.070 4.407 158 HB2 ALA 50 HB2 ALA 50 1.701 1.276 5.742 159 HB3 ALA 50 HB3 ALA 50 1.975 3.019 5.786 160 H ARG 51 H ARG 51 3.362 -0.468 7.325 161 HA ARG 51 HA ARG 51 5.381 -1.931 5.693 162 HB2 ARG 51 HB2 ARG 51 3.828 -2.587 8.232 163 HB3 ARG 51 HB3 ARG 51 4.494 -3.859 7.212 164 HG2 ARG 51 HG2 ARG 51 6.020 -3.435 8.957 165 HG3 ARG 51 HG3 ARG 51 6.733 -2.956 7.421 166 HD2 ARG 51 HD2 ARG 51 6.336 -0.587 7.987 167 HD3 ARG 51 HD3 ARG 51 5.592 -1.072 9.522 168 HE ARG 51 HE ARG 51 7.905 -2.295 9.857 169 HH11 ARG 51 HH11 ARG 51 7.484 0.990 8.681 170 HH12 ARG 51 HH12 ARG 51 9.138 1.413 8.927 171 HH21 ARG 51 HH21 ARG 51 10.061 -1.699 10.171 172 HH22 ARG 51 HH22 ARG 51 10.495 -0.038 9.831 173 H VAL 52 H VAL 52 4.715 -3.910 4.543 174 HA VAL 52 HA VAL 52 2.558 -3.481 2.937 175 HB VAL 52 HB VAL 52 3.286 -5.069 1.764 176 HG11 VAL 52 HG11 VAL 52 4.945 -5.950 4.157 177 HG12 VAL 52 HG12 VAL 52 5.284 -6.371 2.450 178 HG13 VAL 52 HG13 VAL 52 5.370 -4.672 2.996 179 HG21 VAL 52 HG21 VAL 52 1.773 -6.638 2.390 180 HG22 VAL 52 HG22 VAL 52 3.304 -7.498 2.316 181 HG23 VAL 52 HG23 VAL 52 2.588 -7.079 3.911 182 H ASP 53 H ASP 53 2.272 -5.217 5.902 183 HA ASP 53 HA ASP 53 -0.501 -6.112 5.435 184 HB2 ASP 53 HB2 ASP 53 -0.220 -7.070 7.595 185 HB3 ASP 53 HB3 ASP 53 1.084 -7.513 6.577 186 H GLU 54 H GLU 54 1.152 -3.363 6.545 187 HA GLU 54 HA GLU 54 -0.920 -2.213 8.251 188 HB2 GLU 54 HB2 GLU 54 1.799 -1.843 7.762 189 HB3 GLU 54 HB3 GLU 54 1.110 -0.488 6.897 190 HG2 GLU 54 HG2 GLU 54 0.831 -1.219 9.830 191 HG3 GLU 54 HG3 GLU 54 1.810 0.087 9.151 192 H ILE 55 H ILE 55 0.324 -1.595 4.930 193 HA ILE 55 HA ILE 55 -1.727 0.275 4.147 194 HB ILE 55 HB ILE 55 -1.023 -0.303 1.811 195 HG12 ILE 55 HG12 ILE 55 0.372 -2.516 3.285 196 HG13 ILE 55 HG13 ILE 55 -0.750 -2.676 1.912 197 HG21 ILE 55 HG21 ILE 55 1.380 -0.181 3.648 198 HG22 ILE 55 HG22 ILE 55 1.241 0.441 1.969 199 HG23 ILE 55 HG23 ILE 55 0.352 1.211 3.320 200 HD11 ILE 55 HD11 ILE 55 2.115 -1.755 1.995 201 HD12 ILE 55 HD12 ILE 55 1.438 -3.207 1.194 202 HD13 ILE 55 HD13 ILE 55 1.061 -1.506 0.600 203 H TYR 56 H TYR 56 -1.788 -3.300 3.913 204 HA TYR 56 HA TYR 56 -4.435 -3.402 2.787 205 HB2 TYR 56 HB2 TYR 56 -2.856 -5.198 2.693 206 HB3 TYR 56 HB3 TYR 56 -2.679 -5.256 4.433 207 HD1 TYR 56 HD2 TYR 56 -5.584 -5.325 2.033 208 HD2 TYR 56 HD1 TYR 56 -3.640 -7.037 5.449 209 HE1 TYR 56 HE2 TYR 56 -7.420 -7.029 2.205 210 HE2 TYR 56 HE1 TYR 56 -5.475 -8.756 5.642 211 HH TYR 56 HH TYR 56 -7.492 -9.501 4.763 212 H ALA 57 H ALA 57 -3.252 -3.113 6.137 213 HA ALA 57 HA ALA 57 -5.605 -4.046 7.446 214 HB1 ALA 57 HB1 ALA 57 -3.755 -1.843 8.449 215 HB2 ALA 57 HB2 ALA 57 -4.730 -2.965 9.405 216 HB3 ALA 57 HB3 ALA 57 -3.336 -3.591 8.484 217 H GLN 58 H GLN 58 -5.028 -1.085 5.725 218 HA GLN 58 HA GLN 58 -7.225 0.368 7.005 219 HB2 GLN 58 HB2 GLN 58 -5.633 1.079 4.554 220 HB3 GLN 58 HB3 GLN 58 -6.551 2.188 5.599 221 HG2 GLN 58 HG2 GLN 58 -3.885 0.828 6.038 222 HG3 GLN 58 HG3 GLN 58 -4.198 2.538 6.000 223 HE21 GLN 58 HE22 GLN 58 -2.687 1.394 7.968 224 HE22 GLN 58 HE21 GLN 58 -3.619 1.398 9.436 225 H ILE 59 H ILE 59 -7.176 -2.053 4.704 226 HA ILE 59 HA ILE 59 -9.501 -1.091 3.163 227 HB ILE 59 HB ILE 59 -7.606 -3.393 2.704 228 HG12 ILE 59 HG12 ILE 59 -7.628 -0.525 1.633 229 HG13 ILE 59 HG13 ILE 59 -6.407 -1.221 2.698 230 HG21 ILE 59 HG21 ILE 59 -9.610 -2.028 0.871 231 HG22 ILE 59 HG22 ILE 59 -8.542 -3.398 0.450 232 HG23 ILE 59 HG23 ILE 59 -9.831 -3.622 1.627 233 HD11 ILE 59 HD11 ILE 59 -6.896 -1.989 -0.152 234 HD12 ILE 59 HD12 ILE 59 -5.490 -1.170 0.566 235 HD13 ILE 59 HD13 ILE 59 -5.839 -2.866 1.002 236 HA PRO 60 HA PRO 60 -11.257 -3.954 6.394 237 HB2 PRO 60 HB2 PRO 60 -13.656 -2.709 6.879 238 HB3 PRO 60 HB3 PRO 60 -12.089 -2.113 7.496 239 HG2 PRO 60 HG2 PRO 60 -13.557 -1.223 4.992 240 HG3 PRO 60 HG3 PRO 60 -12.889 -0.200 6.304 241 HD2 PRO 60 HD2 PRO 60 -11.505 -0.647 4.014 242 HD3 PRO 60 HD3 PRO 60 -10.670 -0.583 5.592 243 H GLN 61 H GLN 61 -11.831 -3.914 3.314 244 HA GLN 61 HA GLN 61 -12.598 -5.325 1.819 245 HB2 GLN 61 HB2 GLN 61 -13.684 -7.044 4.057 246 HB3 GLN 61 HB3 GLN 61 -13.443 -7.494 2.373 247 HG2 GLN 61 HG2 GLN 61 -10.951 -6.617 2.811 248 HG3 GLN 61 HG3 GLN 61 -11.365 -6.987 4.488 249 HE21 GLN 61 HE22 GLN 61 -11.013 -8.354 1.192 250 HE22 GLN 61 HE21 GLN 61 -10.794 -9.993 1.802 251 H GLU 62 H GLU 62 -14.761 -3.321 3.134 252 HA GLU 62 HA GLU 62 -17.313 -4.017 2.373 253 HB2 GLU 62 HB2 GLU 62 -15.977 -1.340 1.813 254 HB3 GLU 62 HB3 GLU 62 -17.715 -1.632 1.965 255 HG2 GLU 62 HG2 GLU 62 -17.350 -2.361 4.321 256 HG3 GLU 62 HG3 GLU 62 -15.652 -1.903 4.177 257 H LEU 63 H LEU 63 -14.781 -3.684 0.126 258 HA LEU 63 HA LEU 63 -16.399 -3.097 -2.288 259 HB2 LEU 63 HB2 LEU 63 -13.461 -3.764 -2.066 260 HB3 LEU 63 HB3 LEU 63 -14.272 -2.876 -3.351 261 HG LEU 63 HG LEU 63 -13.810 -1.879 -0.490 262 HD11 LEU 63 HD11 LEU 63 -12.465 -1.296 -3.126 263 HD12 LEU 63 HD12 LEU 63 -12.135 -0.472 -1.572 264 HD13 LEU 63 HD13 LEU 63 -11.811 -2.220 -1.749 265 HD21 LEU 63 HD21 LEU 63 -15.832 -0.946 -1.500 266 HD22 LEU 63 HD22 LEU 63 -14.557 0.285 -1.406 267 HD23 LEU 63 HD23 LEU 63 -14.927 -0.511 -2.966 268 H GLU 64 H GLU 64 -15.300 -5.688 -0.574 269 HA GLU 64 HA GLU 64 -14.923 -7.914 -0.769 270 HB2 GLU 64 HB2 GLU 64 -16.577 -7.805 -3.306 271 HB3 GLU 64 HB3 GLU 64 -15.980 -9.270 -2.506 272 HG2 GLU 64 HG2 GLU 64 -17.121 -8.507 -0.378 273 HG3 GLU 64 HG3 GLU 64 -17.848 -7.183 -1.294 274 H TRP 65 H TRP 65 -13.204 -5.858 -1.949 275 HA TRP 65 HA TRP 65 -11.293 -7.198 -3.716 276 HB2 TRP 65 HB2 TRP 65 -11.134 -4.878 -1.727 277 HB3 TRP 65 HB3 TRP 65 -9.746 -5.465 -2.603 278 HD1 TRP 65 HD1 TRP 65 -12.920 -5.092 -4.683 279 HE1 TRP 65 HE1 TRP 65 -12.622 -3.096 -6.253 280 HE3 TRP 65 HE3 TRP 65 -8.625 -3.146 -2.687 281 HZ2 TRP 65 HZ2 TRP 65 -10.691 -0.954 -6.659 282 HZ3 TRP 65 HZ3 TRP 65 -7.596 -1.108 -3.668 283 HH2 TRP 65 HH2 TRP 65 -8.612 -0.020 -5.642 284 H SER 66 H SER 66 -9.156 -7.953 -2.901 285 HA SER 66 HA SER 66 -9.045 -8.664 -0.006 286 HB2 SER 66 HB2 SER 66 -9.908 -10.604 -1.388 287 HB3 SER 66 HB3 SER 66 -8.320 -10.657 -2.166 288 HG SER 66 HG SER 66 -9.092 -11.336 0.444 289 H LEU 67 H LEU 67 -6.758 -9.727 0.392 290 HA LEU 67 HA LEU 67 -4.883 -7.760 0.258 291 HB2 LEU 67 HB2 LEU 67 -5.126 -10.367 1.311 292 HB3 LEU 67 HB3 LEU 67 -3.718 -10.464 0.279 293 HG LEU 67 HG LEU 67 -4.193 -8.972 2.827 294 HD11 LEU 67 HD11 LEU 67 -1.733 -10.230 1.613 295 HD12 LEU 67 HD12 LEU 67 -2.011 -9.797 3.330 296 HD13 LEU 67 HD13 LEU 67 -2.956 -11.102 2.582 297 HD21 LEU 67 HD21 LEU 67 -3.509 -7.076 1.525 298 HD22 LEU 67 HD22 LEU 67 -2.102 -7.617 2.436 299 HD23 LEU 67 HD23 LEU 67 -2.315 -8.047 0.685 300 H ALA 68 H ALA 68 -5.361 -10.361 -2.110 301 HA ALA 68 HA ALA 68 -3.026 -9.983 -3.648 302 HB1 ALA 68 HB1 ALA 68 -5.836 -10.754 -4.564 303 HB2 ALA 68 HB2 ALA 68 -4.341 -11.006 -5.480 304 HB3 ALA 68 HB3 ALA 68 -4.593 -11.872 -3.956 305 H THR 69 H THR 69 -6.141 -8.160 -3.716 306 HA THR 69 HA THR 69 -5.600 -6.686 -6.075 307 HB THR 69 HB THR 69 -7.314 -5.683 -3.776 308 HG1 THR 69 HG1 THR 69 -8.837 -6.672 -5.503 309 HG21 THR 69 HG21 THR 69 -7.150 -5.211 -6.784 310 HG22 THR 69 HG22 THR 69 -8.503 -4.638 -5.770 311 HG23 THR 69 HG23 THR 69 -6.857 -4.030 -5.507 312 H VAL 70 H VAL 70 -5.176 -5.585 -2.596 313 HA VAL 70 HA VAL 70 -4.191 -3.090 -3.349 314 HB VAL 70 HB VAL 70 -4.941 -3.646 -1.066 315 HG11 VAL 70 HG11 VAL 70 -2.176 -4.831 -0.601 316 HG12 VAL 70 HG12 VAL 70 -3.497 -4.630 0.572 317 HG13 VAL 70 HG13 VAL 70 -3.687 -5.796 -0.734 318 HG21 VAL 70 HG21 VAL 70 -3.602 -1.647 -1.529 319 HG22 VAL 70 HG22 VAL 70 -3.206 -2.292 0.102 320 HG23 VAL 70 HG23 VAL 70 -2.111 -2.573 -1.279 321 H LYS 71 H LYS 71 -2.291 -6.084 -2.833 322 HA LYS 71 HA LYS 71 0.302 -4.924 -3.199 323 HB2 LYS 71 HB2 LYS 71 -0.887 -7.707 -3.448 324 HB3 LYS 71 HB3 LYS 71 0.687 -7.395 -4.205 325 HG2 LYS 71 HG2 LYS 71 1.276 -8.124 -2.232 326 HG3 LYS 71 HG3 LYS 71 1.283 -6.386 -1.826 327 HD2 LYS 71 HD2 LYS 71 -1.227 -6.840 -1.181 328 HD3 LYS 71 HD3 LYS 71 -0.746 -8.539 -1.203 329 HE2 LYS 71 HE2 LYS 71 -0.368 -8.171 0.855 330 HE3 LYS 71 HE3 LYS 71 1.214 -7.641 0.374 331 HZ1 LYS 71 HZ1 LYS 71 -1.158 -5.904 0.945 332 HZ2 LYS 71 HZ2 LYS 71 0.162 -5.978 1.892 333 HZ3 LYS 71 HZ3 LYS 71 0.275 -5.309 0.395 334 H THR 72 H THR 72 -1.862 -6.371 -5.650 335 HA THR 72 HA THR 72 -0.047 -5.769 -7.814 336 HB THR 72 HB THR 72 -1.826 -7.416 -8.028 337 HG1 THR 72 HG1 THR 72 -2.364 -6.959 -10.058 338 HG21 THR 72 HG21 THR 72 -3.668 -5.009 -8.073 339 HG22 THR 72 HG22 THR 72 -4.111 -6.603 -8.750 340 HG23 THR 72 HG23 THR 72 -3.712 -6.450 -7.041 341 H LEU 73 H LEU 73 -2.423 -3.623 -6.196 342 HA LEU 73 HA LEU 73 -2.342 -1.581 -8.172 343 HB2 LEU 73 HB2 LEU 73 -3.893 -2.354 -6.058 344 HB3 LEU 73 HB3 LEU 73 -2.940 -1.138 -5.240 345 HG LEU 73 HG LEU 73 -4.727 -0.813 -7.684 346 HD11 LEU 73 HD11 LEU 73 -4.901 0.227 -4.813 347 HD12 LEU 73 HD12 LEU 73 -6.088 0.497 -6.112 348 HD13 LEU 73 HD13 LEU 73 -5.828 -1.146 -5.473 349 HD21 LEU 73 HD21 LEU 73 -2.808 0.620 -7.926 350 HD22 LEU 73 HD22 LEU 73 -4.189 1.618 -7.406 351 HD23 LEU 73 HD23 LEU 73 -2.892 1.115 -6.239 352 H LEU 74 H LEU 74 -0.679 -2.046 -5.058 353 HA LEU 74 HA LEU 74 0.885 0.289 -4.842 354 HB2 LEU 74 HB2 LEU 74 1.749 -2.595 -4.341 355 HB3 LEU 74 HB3 LEU 74 2.662 -1.182 -3.819 356 HG LEU 74 HG LEU 74 -0.120 -1.914 -2.914 357 HD11 LEU 74 HD11 LEU 74 2.160 -3.166 -2.247 358 HD12 LEU 74 HD12 LEU 74 2.290 -1.765 -1.169 359 HD13 LEU 74 HD13 LEU 74 0.842 -2.853 -1.091 360 HD21 LEU 74 HD21 LEU 74 0.029 0.424 -2.950 361 HD22 LEU 74 HD22 LEU 74 0.367 -0.038 -1.246 362 HD23 LEU 74 HD23 LEU 74 1.694 0.418 -2.365 363 H GLY 75 H GLY 75 1.542 -2.564 -6.576 364 HA2 GLY 75 HA2 GLY 75 4.221 -2.070 -7.497 365 HA3 GLY 75 HA3 GLY 75 3.055 -3.134 -8.318 366 H ARG 76 H ARG 76 1.153 -0.847 -8.535 367 HA ARG 76 HA ARG 76 2.096 0.191 -11.161 368 HB2 ARG 76 HB2 ARG 76 -0.516 0.805 -9.748 369 HB3 ARG 76 HB3 ARG 76 -0.131 1.096 -11.433 370 HG2 ARG 76 HG2 ARG 76 -0.451 -1.646 -10.155 371 HG3 ARG 76 HG3 ARG 76 -1.649 -0.838 -11.108 372 HD2 ARG 76 HD2 ARG 76 0.227 -0.771 -12.963 373 HD3 ARG 76 HD3 ARG 76 1.015 -2.017 -11.996 374 HE ARG 76 HE ARG 76 -1.117 -2.344 -13.843 375 HH11 ARG 76 HH11 ARG 76 -0.294 -3.680 -10.687 376 HH12 ARG 76 HH12 ARG 76 -1.113 -5.160 -11.000 377 HH21 ARG 76 HH21 ARG 76 -2.124 -4.298 -14.182 378 HH22 ARG 76 HH22 ARG 76 -2.008 -5.539 -12.969 379 H LEU 77 H LEU 77 1.101 1.421 -7.870 380 HA LEU 77 HA LEU 77 1.706 4.159 -8.410 381 HB2 LEU 77 HB2 LEU 77 2.498 2.863 -5.801 382 HB3 LEU 77 HB3 LEU 77 1.851 4.475 -6.089 383 HG LEU 77 HG LEU 77 0.354 1.841 -6.177 384 HD11 LEU 77 HD11 LEU 77 0.220 4.136 -4.240 385 HD12 LEU 77 HD12 LEU 77 -0.714 2.618 -4.174 386 HD13 LEU 77 HD13 LEU 77 1.066 2.572 -4.013 387 HD21 LEU 77 HD21 LEU 77 -0.655 3.167 -7.796 388 HD22 LEU 77 HD22 LEU 77 -1.687 3.300 -6.347 389 HD23 LEU 77 HD23 LEU 77 -0.579 4.628 -6.791 390 H VAL 78 H VAL 78 3.751 1.665 -7.114 391 HA VAL 78 HA VAL 78 6.118 3.329 -7.052 392 HB VAL 78 HB VAL 78 7.051 1.965 -5.693 393 HG11 VAL 78 HG11 VAL 78 4.908 -0.158 -5.938 394 HG12 VAL 78 HG12 VAL 78 5.928 0.200 -4.551 395 HG13 VAL 78 HG13 VAL 78 4.658 1.347 -5.013 396 HG21 VAL 78 HG21 VAL 78 8.109 0.631 -7.465 397 HG22 VAL 78 HG22 VAL 78 7.704 -0.319 -6.046 398 HG23 VAL 78 HG23 VAL 78 6.662 -0.429 -7.503 399 H LYS 79 H LYS 79 5.182 1.026 -9.582 400 HA LYS 79 HA LYS 79 7.527 1.534 -11.195 401 HB2 LYS 79 HB2 LYS 79 4.768 0.356 -11.794 402 HB3 LYS 79 HB3 LYS 79 5.966 0.561 -13.045 403 HG2 LYS 79 HG2 LYS 79 6.216 -1.234 -10.608 404 HG3 LYS 79 HG3 LYS 79 6.116 -1.688 -12.309 405 HD2 LYS 79 HD2 LYS 79 8.374 -0.284 -10.849 406 HD3 LYS 79 HD3 LYS 79 8.389 -1.932 -11.532 407 HE2 LYS 79 HE2 LYS 79 7.756 -0.682 -13.785 408 HE3 LYS 79 HE3 LYS 79 8.428 0.739 -12.982 409 HZ1 LYS 79 HZ1 LYS 79 9.859 -1.787 -13.647 410 HZ2 LYS 79 HZ2 LYS 79 10.131 -0.283 -14.266 411 HZ3 LYS 79 HZ3 LYS 79 10.546 -0.598 -12.753 412 H LYS 80 H LYS 80 5.193 3.571 -10.444 413 HA LYS 80 HA LYS 80 5.486 5.215 -12.941 414 HB2 LYS 80 HB2 LYS 80 3.288 3.810 -12.392 415 HB3 LYS 80 HB3 LYS 80 2.919 5.223 -11.380 416 HG2 LYS 80 HG2 LYS 80 3.138 6.645 -13.442 417 HG3 LYS 80 HG3 LYS 80 3.590 5.227 -14.388 418 HD2 LYS 80 HD2 LYS 80 0.928 5.651 -12.990 419 HD3 LYS 80 HD3 LYS 80 1.206 5.930 -14.701 420 HE2 LYS 80 HE2 LYS 80 1.508 3.216 -13.328 421 HE3 LYS 80 HE3 LYS 80 0.023 3.777 -14.092 422 HZ1 LYS 80 HZ1 LYS 80 2.585 3.396 -15.548 423 HZ2 LYS 80 HZ2 LYS 80 1.304 2.365 -15.591 424 HZ3 LYS 80 HZ3 LYS 80 1.194 3.881 -16.219 425 H GLU 81 H GLU 81 6.806 5.421 -10.249 426 HA GLU 81 HA GLU 81 7.612 7.057 -8.905 427 HB2 GLU 81 HB2 GLU 81 6.791 8.840 -11.222 428 HB3 GLU 81 HB3 GLU 81 7.883 9.295 -9.923 429 HG2 GLU 81 HG2 GLU 81 9.492 7.590 -10.581 430 HG3 GLU 81 HG3 GLU 81 8.413 7.017 -11.856 431 H MET 82 H MET 82 4.662 6.435 -8.137 432 HA MET 82 HA MET 82 4.087 9.071 -6.920 433 HB2 MET 82 HB2 MET 82 2.143 8.277 -7.832 434 HB3 MET 82 HB3 MET 82 2.544 6.569 -7.585 435 HG2 MET 82 HG2 MET 82 2.269 6.687 -5.307 436 HG3 MET 82 HG3 MET 82 2.083 8.450 -5.275 437 HE1 MET 82 HE1 MET 82 -0.065 8.695 -7.836 438 HE2 MET 82 HE2 MET 82 -1.517 8.843 -6.851 439 HE3 MET 82 HE3 MET 82 -0.036 9.689 -6.351 440 H LEU 83 H LEU 83 4.717 5.614 -6.064 441 HA LEU 83 HA LEU 83 5.653 6.527 -3.367 442 HB2 LEU 83 HB2 LEU 83 4.356 3.841 -4.041 443 HB3 LEU 83 HB3 LEU 83 4.976 4.353 -2.477 444 HG LEU 83 HG LEU 83 2.415 5.111 -3.823 445 HD11 LEU 83 HD11 LEU 83 3.119 4.454 -0.937 446 HD12 LEU 83 HD12 LEU 83 1.497 4.618 -1.632 447 HD13 LEU 83 HD13 LEU 83 2.542 3.274 -2.134 448 HD21 LEU 83 HD21 LEU 83 3.268 7.268 -3.361 449 HD22 LEU 83 HD22 LEU 83 2.117 6.911 -2.083 450 HD23 LEU 83 HD23 LEU 83 3.875 6.789 -1.760 451 H SER 84 H SER 84 7.173 4.926 -2.310 452 HA SER 84 HA SER 84 8.552 3.074 -4.156 453 HB2 SER 84 HB2 SER 84 10.059 5.153 -2.541 454 HB3 SER 84 HB3 SER 84 10.772 3.769 -3.385 455 HG SER 84 HG SER 84 9.076 5.367 -4.911 456 H THR 85 H THR 85 10.086 1.653 -2.908 457 HA THR 85 HA THR 85 9.251 1.239 -0.102 458 HB THR 85 HB THR 85 7.449 0.385 -1.475 459 HG1 THR 85 HG1 THR 85 8.301 -0.838 0.359 460 HG21 THR 85 HG21 THR 85 9.220 -1.699 -2.682 461 HG22 THR 85 HG22 THR 85 7.583 -1.147 -3.187 462 HG23 THR 85 HG23 THR 85 8.997 -0.128 -3.512 463 H GLU 86 H GLU 86 10.520 -0.020 1.095 464 HA GLU 86 HA GLU 86 12.768 -1.544 -0.121 465 HB2 GLU 86 HB2 GLU 86 14.419 -0.689 1.401 466 HB3 GLU 86 HB3 GLU 86 13.770 0.594 0.368 467 HG2 GLU 86 HG2 GLU 86 12.276 1.234 2.362 468 HG3 GLU 86 HG3 GLU 86 13.260 0.133 3.332 469 H LYS 87 H LYS 87 13.870 -3.022 1.532 470 HA LYS 87 HA LYS 87 11.707 -4.188 3.237 471 HB2 LYS 87 HB2 LYS 87 12.204 -5.275 0.946 472 HB3 LYS 87 HB3 LYS 87 13.691 -5.870 1.677 473 HG2 LYS 87 HG2 LYS 87 12.389 -7.127 3.358 474 HG3 LYS 87 HG3 LYS 87 10.903 -6.338 2.814 475 HD2 LYS 87 HD2 LYS 87 10.522 -7.992 1.383 476 HD3 LYS 87 HD3 LYS 87 11.923 -7.448 0.480 477 HE2 LYS 87 HE2 LYS 87 12.609 -9.563 0.752 478 HE3 LYS 87 HE3 LYS 87 13.218 -8.918 2.285 479 HZ1 LYS 87 HZ1 LYS 87 10.618 -10.412 1.928 480 HZ2 LYS 87 HZ2 LYS 87 11.958 -10.971 2.641 481 HZ3 LYS 87 HZ3 LYS 87 11.130 -9.741 3.327 482 H GLU 88 H GLU 88 12.122 -4.901 5.109 483 HA GLU 88 HA GLU 88 14.913 -4.735 6.226 484 HB2 GLU 88 HB2 GLU 88 12.620 -2.902 6.763 485 HB3 GLU 88 HB3 GLU 88 13.471 -3.465 8.193 486 HG2 GLU 88 HG2 GLU 88 14.972 -2.273 5.830 487 HG3 GLU 88 HG3 GLU 88 14.276 -1.288 7.118 488 H GLY 89 H GLY 89 15.412 -6.082 7.792 489 HA2 GLY 89 HA2 GLY 89 15.423 -7.978 9.046 490 HA3 GLY 89 HA3 GLY 89 13.822 -7.514 9.617 491 H ARG 90 H ARG 90 12.040 -8.002 8.026 492 HA ARG 90 HA ARG 90 12.412 -10.199 6.142 493 HB2 ARG 90 HB2 ARG 90 10.723 -10.637 8.644 494 HB3 ARG 90 HB3 ARG 90 10.348 -11.422 7.116 495 HG2 ARG 90 HG2 ARG 90 11.632 -13.076 7.935 496 HG3 ARG 90 HG3 ARG 90 12.902 -12.141 7.163 497 HD2 ARG 90 HD2 ARG 90 13.188 -11.027 9.522 498 HD3 ARG 90 HD3 ARG 90 12.195 -12.356 10.110 499 HE ARG 90 HE ARG 90 14.800 -12.680 8.620 500 HH11 ARG 90 HH11 ARG 90 12.796 -13.807 11.303 501 HH12 ARG 90 HH12 ARG 90 14.020 -14.921 11.824 502 HH21 ARG 90 HH21 ARG 90 16.228 -14.211 9.256 503 HH22 ARG 90 HH22 ARG 90 15.897 -15.117 10.714 504 H LYS 91 H LYS 91 9.929 -8.021 7.700 505 HA LYS 91 HA LYS 91 8.215 -8.135 5.452 506 HB2 LYS 91 HB2 LYS 91 7.898 -7.648 8.021 507 HB3 LYS 91 HB3 LYS 91 8.256 -5.972 7.611 508 HG2 LYS 91 HG2 LYS 91 6.242 -5.697 6.492 509 HG3 LYS 91 HG3 LYS 91 6.266 -7.357 5.872 510 HD2 LYS 91 HD2 LYS 91 4.440 -7.288 7.361 511 HD3 LYS 91 HD3 LYS 91 5.752 -8.211 8.120 512 HE2 LYS 91 HE2 LYS 91 6.342 -6.256 9.518 513 HE3 LYS 91 HE3 LYS 91 5.089 -5.291 8.705 514 HZ1 LYS 91 HZ1 LYS 91 4.468 -7.742 10.223 515 HZ2 LYS 91 HZ2 LYS 91 4.396 -6.199 10.872 516 HZ3 LYS 91 HZ3 LYS 91 3.406 -6.636 9.644 517 H PHE 92 H PHE 92 7.380 -6.247 4.290 518 HA PHE 92 HA PHE 92 9.546 -4.529 3.158 519 HB2 PHE 92 HB2 PHE 92 7.411 -6.077 2.023 520 HB3 PHE 92 HB3 PHE 92 7.077 -4.372 1.721 521 HD1 PHE 92 HD2 PHE 92 9.260 -2.996 1.034 522 HD2 PHE 92 HD1 PHE 92 8.450 -7.132 0.260 523 HE1 PHE 92 HE2 PHE 92 10.814 -2.923 -0.895 524 HE2 PHE 92 HE1 PHE 92 9.987 -7.072 -1.717 525 HZ PHE 92 HZ PHE 92 11.187 -4.963 -2.279 526 H VAL 93 H VAL 93 9.305 -2.333 2.984 527 HA VAL 93 HA VAL 93 7.121 -1.004 4.523 528 HB VAL 93 HB VAL 93 10.073 -0.265 4.273 529 HG11 VAL 93 HG11 VAL 93 7.783 1.264 5.599 530 HG12 VAL 93 HG12 VAL 93 9.506 1.606 5.841 531 HG13 VAL 93 HG13 VAL 93 8.799 1.811 4.239 532 HG21 VAL 93 HG21 VAL 93 9.699 -2.050 5.893 533 HG22 VAL 93 HG22 VAL 93 10.055 -0.540 6.740 534 HG23 VAL 93 HG23 VAL 93 8.372 -1.125 6.637 535 H TYR 94 H TYR 94 6.161 0.706 3.538 536 HA TYR 94 HA TYR 94 6.991 1.544 0.798 537 HB2 TYR 94 HB2 TYR 94 4.253 1.177 2.086 538 HB3 TYR 94 HB3 TYR 94 4.509 1.936 0.529 539 HD1 TYR 94 HD1 TYR 94 4.765 -1.299 2.381 540 HD2 TYR 94 HD2 TYR 94 5.008 0.665 -1.453 541 HE1 TYR 94 HE1 TYR 94 4.866 -3.511 1.242 542 HE2 TYR 94 HE2 TYR 94 5.111 -1.563 -2.577 543 HH TYR 94 HH TYR 94 5.307 -4.587 -0.731 544 H ARG 95 H ARG 95 7.690 3.539 0.742 545 HA ARG 95 HA ARG 95 6.451 5.731 2.379 546 HB2 ARG 95 HB2 ARG 95 8.649 6.582 3.042 547 HB3 ARG 95 HB3 ARG 95 8.408 4.969 3.663 548 HG2 ARG 95 HG2 ARG 95 9.980 4.018 2.181 549 HG3 ARG 95 HG3 ARG 95 9.923 5.382 1.066 550 HD2 ARG 95 HD2 ARG 95 11.003 6.856 2.713 551 HD3 ARG 95 HD3 ARG 95 11.011 5.540 3.900 552 HE ARG 95 HE ARG 95 12.804 4.502 2.798 553 HH11 ARG 95 HH11 ARG 95 11.666 7.047 0.561 554 HH12 ARG 95 HH12 ARG 95 13.076 6.751 -0.437 555 HH21 ARG 95 HH21 ARG 95 14.302 4.232 1.519 556 HH22 ARG 95 HH22 ARG 95 14.473 5.084 -0.022 557 HA PRO 96 HA PRO 96 7.243 8.117 -1.388 558 HB2 PRO 96 HB2 PRO 96 7.668 10.663 -0.505 559 HB3 PRO 96 HB3 PRO 96 6.073 9.868 -0.411 560 HG2 PRO 96 HG2 PRO 96 8.175 10.070 1.776 561 HG3 PRO 96 HG3 PRO 96 6.437 10.509 1.872 562 HD2 PRO 96 HD2 PRO 96 7.311 8.110 2.719 563 HD3 PRO 96 HD3 PRO 96 5.768 8.240 1.841 564 H LEU 97 H LEU 97 8.963 9.786 -2.257 565 HA LEU 97 HA LEU 97 11.665 8.805 -1.866 566 HB2 LEU 97 HB2 LEU 97 10.180 10.550 -3.732 567 HB3 LEU 97 HB3 LEU 97 11.664 11.302 -3.250 568 HG LEU 97 HG LEU 97 11.921 10.074 -5.303 569 HD11 LEU 97 HD11 LEU 97 13.484 8.727 -3.071 570 HD12 LEU 97 HD12 LEU 97 13.950 8.871 -4.772 571 HD13 LEU 97 HD13 LEU 97 13.851 10.331 -3.766 572 HD21 LEU 97 HD21 LEU 97 10.250 8.312 -4.839 573 HD22 LEU 97 HD22 LEU 97 11.791 7.646 -5.407 574 HD23 LEU 97 HD23 LEU 97 11.361 7.537 -3.694 575 H MET 98 H MET 98 13.444 10.323 -1.390 576 HA MET 98 HA MET 98 14.623 11.356 0.246 577 HB2 MET 98 HB2 MET 98 13.320 13.388 -0.585 578 HB3 MET 98 HB3 MET 98 12.262 13.175 0.808 579 HG2 MET 98 HG2 MET 98 14.550 13.146 2.159 580 HG3 MET 98 HG3 MET 98 15.193 13.906 0.710 581 HE1 MET 98 HE1 MET 98 12.485 15.720 -0.125 582 HE2 MET 98 HE2 MET 98 13.000 17.249 0.617 583 HE3 MET 98 HE3 MET 98 14.182 16.251 -0.263 584 H GLU 99 H GLU 99 12.419 12.325 2.575 585 HA GLU 99 HA GLU 99 11.992 9.690 3.838 586 HB2 GLU 99 HB2 GLU 99 12.995 12.182 5.303 587 HB3 GLU 99 HB3 GLU 99 12.370 10.714 6.053 588 HG2 GLU 99 HG2 GLU 99 14.290 9.434 5.084 589 HG3 GLU 99 HG3 GLU 99 14.958 10.962 4.493 Start of MODEL 19 1 H PHE 31 H1 PHE 31 -22.246 2.513 -13.318 2 HA PHE 31 HA PHE 31 -23.000 4.418 -11.217 3 HB2 PHE 31 HB2 PHE 31 -24.234 2.366 -10.937 4 HB3 PHE 31 HB3 PHE 31 -22.796 1.387 -11.232 5 HD1 PHE 31 HD2 PHE 31 -24.080 4.066 -8.897 6 HD2 PHE 31 HD1 PHE 31 -21.461 0.669 -9.410 7 HE1 PHE 31 HE2 PHE 31 -23.360 4.243 -6.523 8 HE2 PHE 31 HE1 PHE 31 -20.794 0.829 -7.030 9 HZ PHE 31 HZ PHE 31 -21.734 2.622 -5.586 10 H ASN 32 H ASN 32 -21.388 5.373 -10.179 11 HA ASN 32 HA ASN 32 -18.623 4.284 -10.350 12 HB2 ASN 32 HB2 ASN 32 -19.452 7.007 -11.490 13 HB3 ASN 32 HB3 ASN 32 -17.878 6.245 -11.593 14 HD21 ASN 32 HD22 ASN 32 -17.441 5.200 -13.478 15 HD22 ASN 32 HD21 ASN 32 -18.632 5.052 -14.747 16 H VAL 33 H VAL 33 -17.704 4.671 -8.327 17 HA VAL 33 HA VAL 33 -17.801 7.347 -7.183 18 HB VAL 33 HB VAL 33 -19.920 6.457 -6.308 19 HG11 VAL 33 HG11 VAL 33 -18.289 4.388 -4.784 20 HG12 VAL 33 HG12 VAL 33 -20.026 4.705 -4.645 21 HG13 VAL 33 HG13 VAL 33 -19.374 4.044 -6.154 22 HG21 VAL 33 HG21 VAL 33 -18.636 8.111 -5.003 23 HG22 VAL 33 HG22 VAL 33 -19.621 7.042 -3.995 24 HG23 VAL 33 HG23 VAL 33 -17.869 6.787 -4.087 25 H SER 34 H SER 34 -16.061 7.793 -5.871 26 HA SER 34 HA SER 34 -13.891 7.658 -5.248 27 HB2 SER 34 HB2 SER 34 -14.769 4.989 -4.110 28 HB3 SER 34 HB3 SER 34 -13.215 5.758 -3.771 29 HG SER 34 HG SER 34 -14.399 6.465 -2.172 30 H ASN 35 H ASN 35 -11.817 5.896 -5.166 31 HA ASN 35 HA ASN 35 -11.833 4.137 -7.502 32 HB2 ASN 35 HB2 ASN 35 -11.114 6.496 -8.301 33 HB3 ASN 35 HB3 ASN 35 -9.680 6.297 -7.317 34 HD21 ASN 35 HD22 ASN 35 -11.100 5.661 -10.391 35 HD22 ASN 35 HD21 ASN 35 -9.790 4.623 -10.956 36 H ALA 36 H ALA 36 -9.882 2.729 -7.508 37 HA ALA 36 HA ALA 36 -8.922 1.788 -4.970 38 HB1 ALA 36 HB1 ALA 36 -7.874 1.626 -7.842 39 HB2 ALA 36 HB2 ALA 36 -7.056 0.833 -6.496 40 HB3 ALA 36 HB3 ALA 36 -8.723 0.360 -6.933 41 H GLU 37 H GLU 37 -7.582 4.044 -7.379 42 HA GLU 37 HA GLU 37 -5.409 4.954 -5.626 43 HB2 GLU 37 HB2 GLU 37 -5.199 4.701 -8.135 44 HB3 GLU 37 HB3 GLU 37 -6.317 6.064 -8.284 45 HG2 GLU 37 HG2 GLU 37 -4.640 7.368 -6.765 46 HG3 GLU 37 HG3 GLU 37 -3.550 6.003 -6.991 47 H LEU 38 H LEU 38 -7.341 5.231 -4.080 48 HA LEU 38 HA LEU 38 -7.385 8.144 -3.736 49 HB2 LEU 38 HB2 LEU 38 -9.598 7.709 -4.784 50 HB3 LEU 38 HB3 LEU 38 -9.971 6.540 -3.518 51 HG LEU 38 HG LEU 38 -9.851 8.349 -1.803 52 HD11 LEU 38 HD11 LEU 38 -9.491 10.170 -4.228 53 HD12 LEU 38 HD12 LEU 38 -9.904 10.725 -2.596 54 HD13 LEU 38 HD13 LEU 38 -8.345 9.961 -2.883 55 HD21 LEU 38 HD21 LEU 38 -12.003 7.752 -2.832 56 HD22 LEU 38 HD22 LEU 38 -11.940 9.476 -2.460 57 HD23 LEU 38 HD23 LEU 38 -11.724 8.933 -4.138 58 H ILE 39 H ILE 39 -8.935 5.314 -2.116 59 HA ILE 39 HA ILE 39 -8.140 5.857 0.480 60 HB ILE 39 HB ILE 39 -9.777 4.235 -0.012 61 HG12 ILE 39 HG12 ILE 39 -7.410 2.912 1.394 62 HG13 ILE 39 HG13 ILE 39 -8.500 4.103 2.114 63 HG21 ILE 39 HG21 ILE 39 -7.649 2.338 -1.073 64 HG22 ILE 39 HG22 ILE 39 -9.405 2.093 -1.014 65 HG23 ILE 39 HG23 ILE 39 -8.743 3.286 -2.110 66 HD11 ILE 39 HD11 ILE 39 -9.256 1.318 1.136 67 HD12 ILE 39 HD12 ILE 39 -9.158 1.897 2.812 68 HD13 ILE 39 HD13 ILE 39 -10.414 2.537 1.728 69 H VAL 40 H VAL 40 -6.191 3.940 -1.887 70 HA VAL 40 HA VAL 40 -4.042 3.524 -0.005 71 HB VAL 40 HB VAL 40 -2.748 2.654 -1.794 72 HG11 VAL 40 HG11 VAL 40 -5.627 1.871 -2.417 73 HG12 VAL 40 HG12 VAL 40 -4.161 0.917 -2.663 74 HG13 VAL 40 HG13 VAL 40 -4.704 1.273 -1.023 75 HG21 VAL 40 HG21 VAL 40 -2.977 4.314 -3.528 76 HG22 VAL 40 HG22 VAL 40 -3.527 2.771 -4.179 77 HG23 VAL 40 HG23 VAL 40 -4.713 3.991 -3.681 78 H MET 41 H MET 41 -4.840 6.302 -1.938 79 HA MET 41 HA MET 41 -2.073 7.350 -1.909 80 HB2 MET 41 HB2 MET 41 -3.572 7.517 -3.921 81 HB3 MET 41 HB3 MET 41 -4.594 8.643 -3.020 82 HG2 MET 41 HG2 MET 41 -2.774 10.231 -2.841 83 HG3 MET 41 HG3 MET 41 -1.608 9.073 -3.479 84 HE1 MET 41 HE1 MET 41 -2.292 7.893 -6.022 85 HE2 MET 41 HE2 MET 41 -2.123 9.146 -7.270 86 HE3 MET 41 HE3 MET 41 -0.912 9.014 -5.979 87 H ARG 42 H ARG 42 -4.627 7.290 0.284 88 HA ARG 42 HA ARG 42 -3.729 9.862 1.546 89 HB2 ARG 42 HB2 ARG 42 -6.178 9.533 0.831 90 HB3 ARG 42 HB3 ARG 42 -6.286 8.350 2.123 91 HG2 ARG 42 HG2 ARG 42 -6.906 10.090 3.407 92 HG3 ARG 42 HG3 ARG 42 -5.199 10.484 3.510 93 HD2 ARG 42 HD2 ARG 42 -7.202 11.628 1.508 94 HD3 ARG 42 HD3 ARG 42 -6.648 12.414 2.988 95 HE ARG 42 HE ARG 42 -4.677 11.721 0.821 96 HH11 ARG 42 HH11 ARG 42 -6.226 14.329 2.660 97 HH12 ARG 42 HH12 ARG 42 -5.104 15.484 1.948 98 HH21 ARG 42 HH21 ARG 42 -3.470 13.389 -0.073 99 HH22 ARG 42 HH22 ARG 42 -3.688 14.984 0.556 100 H VAL 43 H VAL 43 -4.585 6.455 2.535 101 HA VAL 43 HA VAL 43 -3.938 7.031 5.239 102 HB VAL 43 HB VAL 43 -4.050 4.779 5.797 103 HG11 VAL 43 HG11 VAL 43 -6.232 4.156 4.888 104 HG12 VAL 43 HG12 VAL 43 -6.157 5.894 5.186 105 HG13 VAL 43 HG13 VAL 43 -6.029 5.261 3.529 106 HG21 VAL 43 HG21 VAL 43 -2.669 3.616 4.173 107 HG22 VAL 43 HG22 VAL 43 -4.257 2.863 4.217 108 HG23 VAL 43 HG23 VAL 43 -3.831 3.974 2.872 109 H ILE 44 H ILE 44 -1.796 5.624 2.756 110 HA ILE 44 HA ILE 44 0.546 5.398 4.382 111 HB ILE 44 HB ILE 44 0.056 5.738 1.396 112 HG12 ILE 44 HG12 ILE 44 0.863 3.282 3.002 113 HG13 ILE 44 HG13 ILE 44 -0.813 3.689 2.654 114 HG21 ILE 44 HG21 ILE 44 2.664 5.225 2.869 115 HG22 ILE 44 HG22 ILE 44 2.442 4.898 1.132 116 HG23 ILE 44 HG23 ILE 44 2.262 6.545 1.747 117 HD11 ILE 44 HD11 ILE 44 1.318 2.965 0.612 118 HD12 ILE 44 HD12 ILE 44 -0.193 2.116 0.986 119 HD13 ILE 44 HD13 ILE 44 -0.254 3.686 0.187 120 H TRP 45 H TRP 45 -0.678 8.039 2.372 121 HA TRP 45 HA TRP 45 1.602 9.815 2.554 122 HB2 TRP 45 HB2 TRP 45 0.045 10.081 0.748 123 HB3 TRP 45 HB3 TRP 45 -1.329 10.112 1.834 124 HD1 TRP 45 HD1 TRP 45 -1.969 12.340 3.023 125 HE1 TRP 45 HE1 TRP 45 -1.337 14.813 2.686 126 HE3 TRP 45 HE3 TRP 45 2.018 11.716 -0.133 127 HZ2 TRP 45 HZ2 TRP 45 0.715 16.303 1.329 128 HZ3 TRP 45 HZ3 TRP 45 3.276 13.700 -0.963 129 HH2 TRP 45 HH2 TRP 45 2.658 15.976 -0.224 130 H SER 46 H SER 46 -1.113 9.137 4.583 131 HA SER 46 HA SER 46 -0.805 11.628 6.173 132 HB2 SER 46 HB2 SER 46 -3.054 10.415 5.652 133 HB3 SER 46 HB3 SER 46 -2.600 9.339 7.005 134 HG SER 46 HG SER 46 -2.365 11.254 8.273 135 H LEU 47 H LEU 47 0.053 8.239 6.418 136 HA LEU 47 HA LEU 47 1.117 8.353 9.110 137 HB2 LEU 47 HB2 LEU 47 0.937 6.439 6.760 138 HB3 LEU 47 HB3 LEU 47 2.172 6.101 7.956 139 HG LEU 47 HG LEU 47 -0.666 6.683 8.870 140 HD11 LEU 47 HD11 LEU 47 0.369 3.922 8.093 141 HD12 LEU 47 HD12 LEU 47 -1.165 4.302 8.900 142 HD13 LEU 47 HD13 LEU 47 -0.904 4.857 7.243 143 HD21 LEU 47 HD21 LEU 47 1.274 6.685 10.411 144 HD22 LEU 47 HD22 LEU 47 0.169 5.333 10.774 145 HD23 LEU 47 HD23 LEU 47 1.694 5.053 9.883 146 H GLY 48 H GLY 48 2.853 7.445 6.295 147 HA2 GLY 48 HA2 GLY 48 4.644 9.083 5.378 148 HA3 GLY 48 HA3 GLY 48 5.275 9.044 7.022 149 H GLU 49 H GLU 49 4.593 6.128 7.320 150 HA GLU 49 HA GLU 49 6.098 4.547 5.421 151 HB2 GLU 49 HB2 GLU 49 7.947 5.361 6.774 152 HB3 GLU 49 HB3 GLU 49 6.959 5.287 8.220 153 HG2 GLU 49 HG2 GLU 49 7.026 2.652 7.349 154 HG3 GLU 49 HG3 GLU 49 8.658 3.272 7.049 155 H ALA 50 H ALA 50 4.700 2.872 5.212 156 HA ALA 50 HA ALA 50 3.410 1.783 7.655 157 HB1 ALA 50 HB1 ALA 50 2.051 2.177 4.957 158 HB2 ALA 50 HB2 ALA 50 1.354 1.324 6.356 159 HB3 ALA 50 HB3 ALA 50 1.688 3.077 6.448 160 H ARG 51 H ARG 51 2.840 -0.490 7.450 161 HA ARG 51 HA ARG 51 4.839 -1.925 5.720 162 HB2 ARG 51 HB2 ARG 51 3.373 -2.910 8.206 163 HB3 ARG 51 HB3 ARG 51 4.602 -3.774 7.303 164 HG2 ARG 51 HG2 ARG 51 5.699 -2.901 9.201 165 HG3 ARG 51 HG3 ARG 51 6.226 -1.878 7.868 166 HD2 ARG 51 HD2 ARG 51 4.624 -0.144 8.574 167 HD3 ARG 51 HD3 ARG 51 3.993 -1.222 9.842 168 HE ARG 51 HE ARG 51 6.817 -0.345 9.953 169 HH11 ARG 51 HH11 ARG 51 3.467 0.664 10.799 170 HH12 ARG 51 HH12 ARG 51 4.124 1.862 11.886 171 HH21 ARG 51 HH21 ARG 51 7.325 1.560 10.936 172 HH22 ARG 51 HH22 ARG 51 6.156 2.275 12.007 173 H VAL 52 H VAL 52 4.140 -4.035 4.589 174 HA VAL 52 HA VAL 52 1.906 -3.563 3.062 175 HB VAL 52 HB VAL 52 2.903 -5.003 1.842 176 HG11 VAL 52 HG11 VAL 52 4.233 -6.139 4.341 177 HG12 VAL 52 HG12 VAL 52 4.612 -6.621 2.660 178 HG13 VAL 52 HG13 VAL 52 4.841 -4.938 3.158 179 HG21 VAL 52 HG21 VAL 52 1.030 -6.377 2.237 180 HG22 VAL 52 HG22 VAL 52 2.479 -7.381 2.036 181 HG23 VAL 52 HG23 VAL 52 1.812 -7.132 3.684 182 H ASP 53 H ASP 53 1.997 -5.608 5.939 183 HA ASP 53 HA ASP 53 -0.819 -6.319 5.701 184 HB2 ASP 53 HB2 ASP 53 -0.381 -7.573 7.675 185 HB3 ASP 53 HB3 ASP 53 0.784 -7.902 6.443 186 H GLU 54 H GLU 54 0.750 -3.445 6.656 187 HA GLU 54 HA GLU 54 -1.331 -2.699 8.621 188 HB2 GLU 54 HB2 GLU 54 1.087 -2.262 9.032 189 HB3 GLU 54 HB3 GLU 54 1.105 -1.268 7.557 190 HG2 GLU 54 HG2 GLU 54 -0.403 0.308 8.466 191 HG3 GLU 54 HG3 GLU 54 -0.682 -0.684 9.934 192 H ILE 55 H ILE 55 -0.036 -1.786 5.386 193 HA ILE 55 HA ILE 55 -2.016 0.227 4.789 194 HB ILE 55 HB ILE 55 -1.599 -0.184 2.336 195 HG12 ILE 55 HG12 ILE 55 0.129 -2.485 3.564 196 HG13 ILE 55 HG13 ILE 55 -1.125 -2.579 2.383 197 HG21 ILE 55 HG21 ILE 55 1.019 -0.069 4.058 198 HG22 ILE 55 HG22 ILE 55 0.722 0.554 2.398 199 HG23 ILE 55 HG23 ILE 55 -0.108 1.274 3.769 200 HD11 ILE 55 HD11 ILE 55 1.621 -1.603 2.097 201 HD12 ILE 55 HD12 ILE 55 0.851 -2.978 1.293 202 HD13 ILE 55 HD13 ILE 55 0.388 -1.249 0.835 203 H TYR 56 H TYR 56 -1.955 -3.307 4.226 204 HA TYR 56 HA TYR 56 -4.502 -3.667 3.091 205 HB2 TYR 56 HB2 TYR 56 -2.607 -5.213 3.232 206 HB3 TYR 56 HB3 TYR 56 -2.781 -5.333 4.968 207 HD1 TYR 56 HD2 TYR 56 -4.606 -5.860 1.805 208 HD2 TYR 56 HD1 TYR 56 -3.914 -7.172 5.799 209 HE1 TYR 56 HE2 TYR 56 -6.464 -7.565 1.543 210 HE2 TYR 56 HE1 TYR 56 -5.611 -8.997 5.516 211 HH TYR 56 HH TYR 56 -7.118 -9.973 4.114 212 H ALA 57 H ALA 57 -3.521 -3.296 6.469 213 HA ALA 57 HA ALA 57 -6.060 -4.158 7.572 214 HB1 ALA 57 HB1 ALA 57 -4.019 -2.304 8.826 215 HB2 ALA 57 HB2 ALA 57 -5.230 -3.300 9.652 216 HB3 ALA 57 HB3 ALA 57 -3.870 -4.093 8.799 217 H GLN 58 H GLN 58 -5.101 -1.107 6.029 218 HA GLN 58 HA GLN 58 -7.229 0.390 7.376 219 HB2 GLN 58 HB2 GLN 58 -4.984 0.822 5.436 220 HB3 GLN 58 HB3 GLN 58 -6.385 1.815 5.154 221 HG2 GLN 58 HG2 GLN 58 -4.508 2.731 6.562 222 HG3 GLN 58 HG3 GLN 58 -6.190 2.989 7.073 223 HE21 GLN 58 HE22 GLN 58 -3.725 0.299 7.651 224 HE22 GLN 58 HE21 GLN 58 -4.057 0.376 9.363 225 H ILE 59 H ILE 59 -7.035 -1.799 4.753 226 HA ILE 59 HA ILE 59 -8.888 -0.504 2.975 227 HB ILE 59 HB ILE 59 -7.451 -3.138 2.877 228 HG12 ILE 59 HG12 ILE 59 -7.130 -0.432 1.480 229 HG13 ILE 59 HG13 ILE 59 -6.117 -1.036 2.779 230 HG21 ILE 59 HG21 ILE 59 -9.051 -1.858 0.651 231 HG22 ILE 59 HG22 ILE 59 -8.058 -3.342 0.554 232 HG23 ILE 59 HG23 ILE 59 -9.519 -3.333 1.539 233 HD11 ILE 59 HD11 ILE 59 -6.253 -2.078 -0.047 234 HD12 ILE 59 HD12 ILE 59 -4.904 -1.302 0.798 235 HD13 ILE 59 HD13 ILE 59 -5.433 -2.929 1.288 236 HA PRO 60 HA PRO 60 -12.551 -2.417 4.778 237 HB2 PRO 60 HB2 PRO 60 -14.484 -1.120 3.377 238 HB3 PRO 60 HB3 PRO 60 -13.434 -0.260 4.542 239 HG2 PRO 60 HG2 PRO 60 -13.085 -0.462 1.530 240 HG3 PRO 60 HG3 PRO 60 -13.082 1.018 2.544 241 HD2 PRO 60 HD2 PRO 60 -10.782 -0.266 1.810 242 HD3 PRO 60 HD3 PRO 60 -10.952 0.542 3.406 243 H GLN 61 H GLN 61 -14.402 -3.673 4.125 244 HA GLN 61 HA GLN 61 -13.658 -5.633 2.145 245 HB2 GLN 61 HB2 GLN 61 -14.486 -5.947 4.525 246 HB3 GLN 61 HB3 GLN 61 -16.110 -5.586 3.956 247 HG2 GLN 61 HG2 GLN 61 -14.353 -7.784 2.768 248 HG3 GLN 61 HG3 GLN 61 -15.341 -8.052 4.193 249 HE21 GLN 61 HE22 GLN 61 -15.483 -9.171 1.331 250 HE22 GLN 61 HE21 GLN 61 -17.190 -8.958 0.952 251 H GLU 62 H GLU 62 -15.910 -2.967 2.013 252 HA GLU 62 HA GLU 62 -17.861 -3.741 0.179 253 HB2 GLU 62 HB2 GLU 62 -16.307 -1.115 0.368 254 HB3 GLU 62 HB3 GLU 62 -17.760 -1.330 -0.610 255 HG2 GLU 62 HG2 GLU 62 -19.054 -1.899 1.398 256 HG3 GLU 62 HG3 GLU 62 -17.636 -1.626 2.409 257 H LEU 63 H LEU 63 -14.541 -3.435 -0.481 258 HA LEU 63 HA LEU 63 -14.619 -2.980 -3.373 259 HB2 LEU 63 HB2 LEU 63 -12.373 -3.799 -1.478 260 HB3 LEU 63 HB3 LEU 63 -12.178 -3.147 -3.099 261 HG LEU 63 HG LEU 63 -13.351 -1.635 -0.712 262 HD11 LEU 63 HD11 LEU 63 -10.687 -1.426 -2.130 263 HD12 LEU 63 HD12 LEU 63 -11.251 -0.422 -0.758 264 HD13 LEU 63 HD13 LEU 63 -11.004 -2.173 -0.545 265 HD21 LEU 63 HD21 LEU 63 -14.347 -0.886 -2.765 266 HD22 LEU 63 HD22 LEU 63 -13.132 0.313 -2.277 267 HD23 LEU 63 HD23 LEU 63 -12.769 -0.849 -3.591 268 H GLU 64 H GLU 64 -14.577 -5.609 -1.295 269 HA GLU 64 HA GLU 64 -14.591 -7.902 -1.488 270 HB2 GLU 64 HB2 GLU 64 -15.200 -7.463 -4.432 271 HB3 GLU 64 HB3 GLU 64 -15.402 -8.956 -3.514 272 HG2 GLU 64 HG2 GLU 64 -17.048 -7.816 -2.024 273 HG3 GLU 64 HG3 GLU 64 -16.904 -6.352 -3.001 274 H TRP 65 H TRP 65 -12.124 -6.752 -1.370 275 HA TRP 65 HA TRP 65 -10.338 -8.163 -3.282 276 HB2 TRP 65 HB2 TRP 65 -9.883 -5.886 -1.327 277 HB3 TRP 65 HB3 TRP 65 -8.615 -6.591 -2.303 278 HD1 TRP 65 HD1 TRP 65 -11.446 -6.438 -4.576 279 HE1 TRP 65 HE1 TRP 65 -11.524 -4.282 -5.909 280 HE3 TRP 65 HE3 TRP 65 -7.917 -3.742 -1.984 281 HZ2 TRP 65 HZ2 TRP 65 -10.200 -1.718 -5.923 282 HZ3 TRP 65 HZ3 TRP 65 -7.367 -1.447 -2.683 283 HH2 TRP 65 HH2 TRP 65 -8.516 -0.408 -4.617 284 H SER 66 H SER 66 -8.094 -8.588 -2.318 285 HA SER 66 HA SER 66 -8.082 -9.995 0.288 286 HB2 SER 66 HB2 SER 66 -8.635 -11.679 -1.406 287 HB3 SER 66 HB3 SER 66 -7.276 -11.156 -2.411 288 HG SER 66 HG SER 66 -6.890 -13.023 -1.183 289 H LEU 67 H LEU 67 -5.752 -10.433 0.966 290 HA LEU 67 HA LEU 67 -4.128 -8.306 0.869 291 HB2 LEU 67 HB2 LEU 67 -4.122 -10.811 2.056 292 HB3 LEU 67 HB3 LEU 67 -2.650 -10.836 1.107 293 HG LEU 67 HG LEU 67 -3.478 -9.117 3.431 294 HD11 LEU 67 HD11 LEU 67 -0.937 -10.525 2.688 295 HD12 LEU 67 HD12 LEU 67 -1.335 -9.751 4.272 296 HD13 LEU 67 HD13 LEU 67 -2.236 -11.181 3.727 297 HD21 LEU 67 HD21 LEU 67 -2.668 -7.423 1.875 298 HD22 LEU 67 HD22 LEU 67 -1.485 -7.678 3.146 299 HD23 LEU 67 HD23 LEU 67 -1.263 -8.411 1.523 300 H ALA 68 H ALA 68 -4.085 -10.850 -1.616 301 HA ALA 68 HA ALA 68 -1.577 -10.034 -2.706 302 HB1 ALA 68 HB1 ALA 68 -3.999 -11.315 -4.084 303 HB2 ALA 68 HB2 ALA 68 -2.353 -11.237 -4.752 304 HB3 ALA 68 HB3 ALA 68 -2.664 -12.181 -3.284 305 H THR 69 H THR 69 -4.928 -8.816 -3.175 306 HA THR 69 HA THR 69 -4.562 -7.373 -5.561 307 HB THR 69 HB THR 69 -6.480 -6.656 -3.323 308 HG1 THR 69 HG1 THR 69 -7.824 -7.875 -4.954 309 HG21 THR 69 HG21 THR 69 -6.351 -5.987 -6.292 310 HG22 THR 69 HG22 THR 69 -7.845 -5.842 -5.329 311 HG23 THR 69 HG23 THR 69 -6.436 -4.858 -4.923 312 H VAL 70 H VAL 70 -4.210 -6.184 -2.140 313 HA VAL 70 HA VAL 70 -3.760 -3.526 -2.988 314 HB VAL 70 HB VAL 70 -4.382 -4.047 -0.693 315 HG11 VAL 70 HG11 VAL 70 -1.589 -5.229 -0.346 316 HG12 VAL 70 HG12 VAL 70 -2.727 -4.854 0.950 317 HG13 VAL 70 HG13 VAL 70 -3.140 -6.098 -0.242 318 HG21 VAL 70 HG21 VAL 70 -3.145 -1.985 -1.312 319 HG22 VAL 70 HG22 VAL 70 -2.864 -2.481 0.380 320 HG23 VAL 70 HG23 VAL 70 -1.632 -2.799 -0.865 321 H LYS 71 H LYS 71 -1.480 -6.192 -2.606 322 HA LYS 71 HA LYS 71 0.946 -4.709 -2.998 323 HB2 LYS 71 HB2 LYS 71 0.423 -7.642 -3.647 324 HB3 LYS 71 HB3 LYS 71 1.988 -6.880 -3.329 325 HG2 LYS 71 HG2 LYS 71 1.252 -6.338 -1.043 326 HG3 LYS 71 HG3 LYS 71 -0.293 -7.120 -1.328 327 HD2 LYS 71 HD2 LYS 71 0.981 -9.242 -1.921 328 HD3 LYS 71 HD3 LYS 71 2.425 -8.440 -1.271 329 HE2 LYS 71 HE2 LYS 71 0.643 -8.018 0.814 330 HE3 LYS 71 HE3 LYS 71 -0.057 -9.423 0.139 331 HZ1 LYS 71 HZ1 LYS 71 2.844 -9.533 0.687 332 HZ2 LYS 71 HZ2 LYS 71 1.737 -9.937 1.849 333 HZ3 LYS 71 HZ3 LYS 71 1.809 -10.773 0.463 334 H THR 72 H THR 72 -1.086 -6.406 -5.349 335 HA THR 72 HA THR 72 0.517 -5.555 -7.645 336 HB THR 72 HB THR 72 -0.810 -7.492 -7.933 337 HG1 THR 72 HG1 THR 72 -0.517 -6.030 -9.727 338 HG21 THR 72 HG21 THR 72 -3.248 -5.719 -7.546 339 HG22 THR 72 HG22 THR 72 -3.274 -7.398 -8.146 340 HG23 THR 72 HG23 THR 72 -2.689 -7.051 -6.511 341 H LEU 73 H LEU 73 -2.046 -3.855 -5.876 342 HA LEU 73 HA LEU 73 -2.556 -1.872 -7.937 343 HB2 LEU 73 HB2 LEU 73 -4.101 -2.836 -6.194 344 HB3 LEU 73 HB3 LEU 73 -3.123 -2.086 -4.950 345 HG LEU 73 HG LEU 73 -4.968 -0.756 -6.950 346 HD11 LEU 73 HD11 LEU 73 -4.822 -0.993 -3.900 347 HD12 LEU 73 HD12 LEU 73 -6.035 -0.051 -4.761 348 HD13 LEU 73 HD13 LEU 73 -5.967 -1.819 -4.974 349 HD21 LEU 73 HD21 LEU 73 -3.081 0.728 -6.768 350 HD22 LEU 73 HD22 LEU 73 -4.408 1.351 -5.762 351 HD23 LEU 73 HD23 LEU 73 -2.995 0.486 -5.011 352 H LEU 74 H LEU 74 -0.832 -2.038 -4.826 353 HA LEU 74 HA LEU 74 0.579 0.423 -4.726 354 HB2 LEU 74 HB2 LEU 74 1.339 -2.440 -4.005 355 HB3 LEU 74 HB3 LEU 74 2.431 -1.091 -3.703 356 HG LEU 74 HG LEU 74 -0.351 -1.331 -2.553 357 HD11 LEU 74 HD11 LEU 74 2.045 -2.781 -1.933 358 HD12 LEU 74 HD12 LEU 74 1.908 -1.521 -0.702 359 HD13 LEU 74 HD13 LEU 74 0.575 -2.677 -0.975 360 HD21 LEU 74 HD21 LEU 74 0.245 0.914 -2.696 361 HD22 LEU 74 HD22 LEU 74 0.615 0.423 -0.983 362 HD23 LEU 74 HD23 LEU 74 1.911 0.607 -2.228 363 H GLY 75 H GLY 75 1.495 -2.620 -6.071 364 HA2 GLY 75 HA2 GLY 75 3.932 -2.097 -7.339 365 HA3 GLY 75 HA3 GLY 75 2.746 -3.257 -7.957 366 H ARG 76 H ARG 76 0.860 -0.875 -8.303 367 HA ARG 76 HA ARG 76 1.752 -0.048 -11.064 368 HB2 ARG 76 HB2 ARG 76 -0.861 0.534 -9.610 369 HB3 ARG 76 HB3 ARG 76 -0.428 1.137 -11.192 370 HG2 ARG 76 HG2 ARG 76 -0.594 -0.964 -12.238 371 HG3 ARG 76 HG3 ARG 76 -0.580 -1.851 -10.696 372 HD2 ARG 76 HD2 ARG 76 -2.752 -1.097 -10.086 373 HD3 ARG 76 HD3 ARG 76 -2.715 0.219 -11.261 374 HE ARG 76 HE ARG 76 -3.731 -1.107 -12.752 375 HH11 ARG 76 HH11 ARG 76 -1.816 -3.400 -10.883 376 HH12 ARG 76 HH12 ARG 76 -2.597 -4.753 -11.668 377 HH21 ARG 76 HH21 ARG 76 -4.815 -2.824 -13.455 378 HH22 ARG 76 HH22 ARG 76 -4.365 -4.430 -13.027 379 H LEU 77 H LEU 77 0.768 1.299 -7.825 380 HA LEU 77 HA LEU 77 1.314 4.033 -8.522 381 HB2 LEU 77 HB2 LEU 77 2.016 2.926 -5.803 382 HB3 LEU 77 HB3 LEU 77 1.342 4.483 -6.224 383 HG LEU 77 HG LEU 77 -0.105 1.829 -6.244 384 HD11 LEU 77 HD11 LEU 77 -0.375 4.199 -4.406 385 HD12 LEU 77 HD12 LEU 77 -1.189 2.609 -4.282 386 HD13 LEU 77 HD13 LEU 77 0.574 2.722 -4.087 387 HD21 LEU 77 HD21 LEU 77 -0.976 3.203 -7.983 388 HD22 LEU 77 HD22 LEU 77 -2.128 3.227 -6.632 389 HD23 LEU 77 HD23 LEU 77 -1.040 4.623 -6.920 390 H VAL 78 H VAL 78 3.348 1.644 -7.030 391 HA VAL 78 HA VAL 78 5.616 3.361 -6.895 392 HB VAL 78 HB VAL 78 6.698 2.003 -5.589 393 HG11 VAL 78 HG11 VAL 78 4.389 0.082 -5.490 394 HG12 VAL 78 HG12 VAL 78 5.430 0.658 -4.186 395 HG13 VAL 78 HG13 VAL 78 4.207 1.744 -4.874 396 HG21 VAL 78 HG21 VAL 78 7.561 0.441 -7.199 397 HG22 VAL 78 HG22 VAL 78 7.042 -0.402 -5.761 398 HG23 VAL 78 HG23 VAL 78 6.014 -0.458 -7.229 399 H LYS 79 H LYS 79 4.898 1.081 -9.521 400 HA LYS 79 HA LYS 79 7.483 1.575 -10.823 401 HB2 LYS 79 HB2 LYS 79 4.936 0.196 -11.588 402 HB3 LYS 79 HB3 LYS 79 5.779 1.042 -12.901 403 HG2 LYS 79 HG2 LYS 79 6.547 -1.150 -12.952 404 HG3 LYS 79 HG3 LYS 79 7.806 -0.040 -12.464 405 HD2 LYS 79 HD2 LYS 79 8.162 -1.850 -10.987 406 HD3 LYS 79 HD3 LYS 79 7.160 -0.771 -10.004 407 HE2 LYS 79 HE2 LYS 79 5.777 -2.565 -9.769 408 HE3 LYS 79 HE3 LYS 79 5.228 -2.104 -11.381 409 HZ1 LYS 79 HZ1 LYS 79 7.233 -4.192 -10.703 410 HZ2 LYS 79 HZ2 LYS 79 5.745 -4.422 -11.398 411 HZ3 LYS 79 HZ3 LYS 79 6.933 -3.730 -12.257 412 H LYS 80 H LYS 80 4.362 3.166 -10.872 413 HA LYS 80 HA LYS 80 5.146 5.096 -12.954 414 HB2 LYS 80 HB2 LYS 80 2.839 3.766 -12.489 415 HB3 LYS 80 HB3 LYS 80 2.515 5.174 -11.497 416 HG2 LYS 80 HG2 LYS 80 1.536 5.653 -13.594 417 HG3 LYS 80 HG3 LYS 80 3.044 6.575 -13.639 418 HD2 LYS 80 HD2 LYS 80 4.103 4.724 -14.940 419 HD3 LYS 80 HD3 LYS 80 2.600 3.815 -14.899 420 HE2 LYS 80 HE2 LYS 80 2.980 6.539 -16.238 421 HE3 LYS 80 HE3 LYS 80 3.077 4.979 -17.051 422 HZ1 LYS 80 HZ1 LYS 80 0.658 6.295 -15.985 423 HZ2 LYS 80 HZ2 LYS 80 0.909 5.668 -17.444 424 HZ3 LYS 80 HZ3 LYS 80 0.688 4.653 -16.186 425 H GLU 81 H GLU 81 6.503 5.326 -10.428 426 HA GLU 81 HA GLU 81 7.114 6.716 -8.744 427 HB2 GLU 81 HB2 GLU 81 6.981 8.637 -11.085 428 HB3 GLU 81 HB3 GLU 81 7.811 8.956 -9.558 429 HG2 GLU 81 HG2 GLU 81 9.101 6.762 -9.964 430 HG3 GLU 81 HG3 GLU 81 8.527 6.883 -11.630 431 H MET 82 H MET 82 4.264 6.384 -8.350 432 HA MET 82 HA MET 82 3.504 9.048 -7.234 433 HB2 MET 82 HB2 MET 82 2.228 6.297 -7.024 434 HB3 MET 82 HB3 MET 82 1.552 7.782 -6.348 435 HG2 MET 82 HG2 MET 82 2.059 7.260 -9.292 436 HG3 MET 82 HG3 MET 82 0.524 7.012 -8.469 437 HE1 MET 82 HE1 MET 82 2.341 9.276 -10.734 438 HE2 MET 82 HE2 MET 82 2.149 10.933 -10.120 439 HE3 MET 82 HE3 MET 82 3.253 9.810 -9.307 440 H LEU 83 H LEU 83 4.366 5.777 -6.226 441 HA LEU 83 HA LEU 83 5.130 6.726 -3.486 442 HB2 LEU 83 HB2 LEU 83 3.894 4.017 -4.150 443 HB3 LEU 83 HB3 LEU 83 4.359 4.614 -2.569 444 HG LEU 83 HG LEU 83 1.908 5.246 -4.182 445 HD11 LEU 83 HD11 LEU 83 2.387 4.755 -1.215 446 HD12 LEU 83 HD12 LEU 83 0.814 4.833 -2.036 447 HD13 LEU 83 HD13 LEU 83 1.935 3.498 -2.380 448 HD21 LEU 83 HD21 LEU 83 2.523 7.441 -3.769 449 HD22 LEU 83 HD22 LEU 83 1.440 7.069 -2.439 450 HD23 LEU 83 HD23 LEU 83 3.210 7.067 -2.165 451 H SER 84 H SER 84 6.546 5.192 -2.338 452 HA SER 84 HA SER 84 8.209 3.435 -4.104 453 HB2 SER 84 HB2 SER 84 9.422 4.999 -1.797 454 HB3 SER 84 HB3 SER 84 10.180 3.936 -3.025 455 HG SER 84 HG SER 84 10.658 5.917 -3.611 456 H THR 85 H THR 85 9.458 1.796 -2.782 457 HA THR 85 HA THR 85 8.300 1.206 -0.123 458 HB THR 85 HB THR 85 6.827 0.022 -1.509 459 HG1 THR 85 HG1 THR 85 7.804 -1.279 0.097 460 HG21 THR 85 HG21 THR 85 9.184 -0.891 -3.169 461 HG22 THR 85 HG22 THR 85 7.525 -1.546 -3.305 462 HG23 THR 85 HG23 THR 85 7.843 0.170 -3.660 463 H GLU 86 H GLU 86 9.551 -0.409 1.092 464 HA GLU 86 HA GLU 86 12.278 -1.027 0.083 465 HB2 GLU 86 HB2 GLU 86 11.722 0.484 2.675 466 HB3 GLU 86 HB3 GLU 86 13.266 -0.268 2.252 467 HG2 GLU 86 HG2 GLU 86 13.400 1.196 0.226 468 HG3 GLU 86 HG3 GLU 86 11.917 2.013 0.747 469 H LYS 87 H LYS 87 13.260 -2.835 1.082 470 HA LYS 87 HA LYS 87 11.468 -4.737 2.479 471 HB2 LYS 87 HB2 LYS 87 12.807 -5.509 0.565 472 HB3 LYS 87 HB3 LYS 87 14.268 -4.876 1.333 473 HG2 LYS 87 HG2 LYS 87 13.651 -6.570 3.263 474 HG3 LYS 87 HG3 LYS 87 12.502 -7.241 2.081 475 HD2 LYS 87 HD2 LYS 87 14.386 -7.466 0.461 476 HD3 LYS 87 HD3 LYS 87 15.477 -6.758 1.715 477 HE2 LYS 87 HE2 LYS 87 14.784 -8.460 3.283 478 HE3 LYS 87 HE3 LYS 87 13.761 -9.215 2.049 479 HZ1 LYS 87 HZ1 LYS 87 16.715 -8.936 1.729 480 HZ2 LYS 87 HZ2 LYS 87 16.021 -10.263 2.426 481 HZ3 LYS 87 HZ3 LYS 87 15.706 -9.919 0.874 482 H GLU 88 H GLU 88 11.501 -4.809 4.699 483 HA GLU 88 HA GLU 88 14.049 -4.216 6.145 484 HB2 GLU 88 HB2 GLU 88 11.627 -3.080 6.622 485 HB3 GLU 88 HB3 GLU 88 11.512 -4.443 7.712 486 HG2 GLU 88 HG2 GLU 88 13.708 -2.349 7.587 487 HG3 GLU 88 HG3 GLU 88 12.424 -2.456 8.781 488 H GLY 89 H GLY 89 15.013 -6.125 5.759 489 HA2 GLY 89 HA2 GLY 89 15.656 -8.302 5.788 490 HA3 GLY 89 HA3 GLY 89 14.824 -8.366 7.336 491 H ARG 90 H ARG 90 12.300 -8.456 6.866 492 HA ARG 90 HA ARG 90 11.639 -10.780 5.091 493 HB2 ARG 90 HB2 ARG 90 10.627 -11.912 7.053 494 HB3 ARG 90 HB3 ARG 90 12.366 -11.670 7.223 495 HG2 ARG 90 HG2 ARG 90 11.839 -9.578 8.623 496 HG3 ARG 90 HG3 ARG 90 10.143 -10.083 8.601 497 HD2 ARG 90 HD2 ARG 90 10.701 -12.136 9.774 498 HD3 ARG 90 HD3 ARG 90 12.433 -11.832 9.552 499 HE ARG 90 HE ARG 90 11.154 -9.654 11.018 500 HH11 ARG 90 HH11 ARG 90 12.702 -12.791 11.392 501 HH12 ARG 90 HH12 ARG 90 13.142 -12.415 13.052 502 HH21 ARG 90 HH21 ARG 90 11.684 -9.339 13.134 503 HH22 ARG 90 HH22 ARG 90 12.471 -10.652 14.020 504 H LYS 91 H LYS 91 10.428 -7.870 6.829 505 HA LYS 91 HA LYS 91 7.815 -8.174 5.550 506 HB2 LYS 91 HB2 LYS 91 8.494 -7.588 8.142 507 HB3 LYS 91 HB3 LYS 91 8.645 -5.977 7.451 508 HG2 LYS 91 HG2 LYS 91 6.449 -6.071 8.167 509 HG3 LYS 91 HG3 LYS 91 6.326 -6.412 6.434 510 HD2 LYS 91 HD2 LYS 91 4.884 -8.001 7.333 511 HD3 LYS 91 HD3 LYS 91 6.394 -8.926 7.139 512 HE2 LYS 91 HE2 LYS 91 6.894 -8.683 9.516 513 HE3 LYS 91 HE3 LYS 91 5.527 -7.573 9.742 514 HZ1 LYS 91 HZ1 LYS 91 5.165 -10.404 8.877 515 HZ2 LYS 91 HZ2 LYS 91 5.134 -9.946 10.429 516 HZ3 LYS 91 HZ3 LYS 91 4.007 -9.358 9.414 517 H PHE 92 H PHE 92 6.987 -5.934 4.860 518 HA PHE 92 HA PHE 92 9.026 -4.505 3.191 519 HB2 PHE 92 HB2 PHE 92 6.889 -6.258 2.326 520 HB3 PHE 92 HB3 PHE 92 6.530 -4.604 1.833 521 HD1 PHE 92 HD1 PHE 92 9.419 -6.990 1.915 522 HD2 PHE 92 HD2 PHE 92 7.342 -3.841 -0.147 523 HE1 PHE 92 HE1 PHE 92 11.014 -7.194 0.017 524 HE2 PHE 92 HE2 PHE 92 8.958 -4.007 -2.038 525 HZ PHE 92 HZ PHE 92 10.790 -5.697 -1.968 526 H VAL 93 H VAL 93 8.814 -2.368 3.112 527 HA VAL 93 HA VAL 93 6.582 -1.019 4.574 528 HB VAL 93 HB VAL 93 9.443 -0.133 4.057 529 HG11 VAL 93 HG11 VAL 93 7.226 1.368 5.529 530 HG12 VAL 93 HG12 VAL 93 8.939 1.811 5.503 531 HG13 VAL 93 HG13 VAL 93 8.015 1.881 4.016 532 HG21 VAL 93 HG21 VAL 93 9.304 -1.811 5.832 533 HG22 VAL 93 HG22 VAL 93 9.613 -0.223 6.543 534 HG23 VAL 93 HG23 VAL 93 7.971 -0.899 6.612 535 H TYR 94 H TYR 94 5.569 0.643 3.603 536 HA TYR 94 HA TYR 94 6.246 1.477 0.812 537 HB2 TYR 94 HB2 TYR 94 3.557 0.935 2.135 538 HB3 TYR 94 HB3 TYR 94 3.751 1.758 0.592 539 HD1 TYR 94 HD1 TYR 94 4.231 -1.555 2.346 540 HD2 TYR 94 HD2 TYR 94 4.439 0.609 -1.404 541 HE1 TYR 94 HE1 TYR 94 4.508 -3.646 1.156 542 HE2 TYR 94 HE2 TYR 94 4.687 -1.557 -2.607 543 HH TYR 94 HH TYR 94 4.756 -4.675 -0.909 544 H ARG 95 H ARG 95 6.649 3.550 0.606 545 HA ARG 95 HA ARG 95 5.211 5.549 2.286 546 HB2 ARG 95 HB2 ARG 95 7.358 6.810 2.718 547 HB3 ARG 95 HB3 ARG 95 6.999 5.361 3.646 548 HG2 ARG 95 HG2 ARG 95 8.743 4.119 2.516 549 HG3 ARG 95 HG3 ARG 95 9.099 5.516 1.464 550 HD2 ARG 95 HD2 ARG 95 9.670 6.895 3.390 551 HD3 ARG 95 HD3 ARG 95 9.074 5.678 4.518 552 HE ARG 95 HE ARG 95 11.244 4.511 3.067 553 HH11 ARG 95 HH11 ARG 95 10.827 7.109 5.450 554 HH12 ARG 95 HH12 ARG 95 12.455 6.851 6.047 555 HH21 ARG 95 HH21 ARG 95 13.181 4.264 3.947 556 HH22 ARG 95 HH22 ARG 95 13.692 5.191 5.350 557 HA PRO 96 HA PRO 96 5.064 7.982 -1.409 558 HB2 PRO 96 HB2 PRO 96 4.550 10.489 -0.533 559 HB3 PRO 96 HB3 PRO 96 3.409 9.150 -0.216 560 HG2 PRO 96 HG2 PRO 96 5.559 10.235 1.638 561 HG3 PRO 96 HG3 PRO 96 3.828 9.968 2.007 562 HD2 PRO 96 HD2 PRO 96 5.760 8.156 2.626 563 HD3 PRO 96 HD3 PRO 96 4.124 7.642 2.145 564 H LEU 97 H LEU 97 6.061 9.890 -2.627 565 HA LEU 97 HA LEU 97 8.880 10.378 -1.824 566 HB2 LEU 97 HB2 LEU 97 9.788 9.701 -3.704 567 HB3 LEU 97 HB3 LEU 97 8.745 8.477 -2.991 568 HG LEU 97 HG LEU 97 6.966 9.197 -4.655 569 HD11 LEU 97 HD11 LEU 97 9.512 10.196 -6.031 570 HD12 LEU 97 HD12 LEU 97 7.897 10.088 -6.791 571 HD13 LEU 97 HD13 LEU 97 8.204 11.238 -5.468 572 HD21 LEU 97 HD21 LEU 97 8.060 7.123 -4.535 573 HD22 LEU 97 HD22 LEU 97 8.096 7.577 -6.259 574 HD23 LEU 97 HD23 LEU 97 9.555 7.743 -5.212 575 H MET 98 H MET 98 9.945 12.128 -2.609 576 HA MET 98 HA MET 98 8.710 14.232 -4.197 577 HB2 MET 98 HB2 MET 98 7.577 14.498 -1.966 578 HB3 MET 98 HB3 MET 98 9.156 14.725 -1.213 579 HG2 MET 98 HG2 MET 98 9.505 16.755 -2.611 580 HG3 MET 98 HG3 MET 98 7.929 16.492 -3.366 581 HE1 MET 98 HE1 MET 98 7.160 18.943 -2.838 582 HE2 MET 98 HE2 MET 98 7.311 19.710 -1.242 583 HE3 MET 98 HE3 MET 98 8.769 19.256 -2.148 584 H GLU 99 H GLU 99 11.348 13.241 -2.019 585 HA GLU 99 HA GLU 99 13.222 15.305 -2.592 586 HB2 GLU 99 HB2 GLU 99 12.971 13.511 -0.648 587 HB3 GLU 99 HB3 GLU 99 13.966 12.510 -1.693 588 HG2 GLU 99 HG2 GLU 99 15.659 14.438 -1.686 589 HG3 GLU 99 HG3 GLU 99 14.666 15.199 -0.441 Start of MODEL 20 1 H PHE 31 H1 PHE 31 -19.320 -2.328 -18.662 2 HA PHE 31 HA PHE 31 -21.539 -1.567 -18.467 3 HB2 PHE 31 HB2 PHE 31 -21.529 -3.077 -15.837 4 HB3 PHE 31 HB3 PHE 31 -22.707 -1.835 -16.239 5 HD1 PHE 31 HD1 PHE 31 -23.650 -2.236 -18.882 6 HD2 PHE 31 HD2 PHE 31 -22.562 -5.201 -15.928 7 HE1 PHE 31 HE1 PHE 31 -25.240 -3.838 -19.890 8 HE2 PHE 31 HE2 PHE 31 -24.187 -6.779 -16.921 9 HZ PHE 31 HZ PHE 31 -25.561 -6.086 -18.889 10 H ASN 32 H ASN 32 -21.014 -1.085 -15.072 11 HA ASN 32 HA ASN 32 -20.137 1.613 -15.300 12 HB2 ASN 32 HB2 ASN 32 -20.278 -0.477 -13.075 13 HB3 ASN 32 HB3 ASN 32 -19.601 1.108 -12.755 14 HD21 ASN 32 HD22 ASN 32 -22.071 -0.079 -11.616 15 HD22 ASN 32 HD21 ASN 32 -23.253 1.155 -11.997 16 H VAL 33 H VAL 33 -18.142 2.261 -13.841 17 HA VAL 33 HA VAL 33 -15.744 1.187 -15.234 18 HB VAL 33 HB VAL 33 -14.665 3.310 -14.676 19 HG11 VAL 33 HG11 VAL 33 -17.354 3.751 -16.016 20 HG12 VAL 33 HG12 VAL 33 -15.876 4.715 -16.201 21 HG13 VAL 33 HG13 VAL 33 -15.919 3.046 -16.790 22 HG21 VAL 33 HG21 VAL 33 -15.873 3.916 -12.585 23 HG22 VAL 33 HG22 VAL 33 -15.912 5.215 -13.787 24 HG23 VAL 33 HG23 VAL 33 -17.345 4.212 -13.529 25 H SER 34 H SER 34 -13.684 1.292 -14.132 26 HA SER 34 HA SER 34 -13.803 0.395 -11.282 27 HB2 SER 34 HB2 SER 34 -12.236 -0.832 -13.578 28 HB3 SER 34 HB3 SER 34 -12.218 -1.365 -11.883 29 HG SER 34 HG SER 34 -13.659 -2.648 -12.889 30 H ASN 35 H ASN 35 -13.195 2.830 -11.189 31 HA ASN 35 HA ASN 35 -10.425 3.626 -11.651 32 HB2 ASN 35 HB2 ASN 35 -12.693 4.629 -9.868 33 HB3 ASN 35 HB3 ASN 35 -11.065 5.252 -9.698 34 HD21 ASN 35 HD22 ASN 35 -13.344 4.700 -12.448 35 HD22 ASN 35 HD21 ASN 35 -12.958 6.206 -13.243 36 H ALA 36 H ALA 36 -8.611 3.287 -10.286 37 HA ALA 36 HA ALA 36 -8.773 1.289 -8.169 38 HB1 ALA 36 HB1 ALA 36 -6.500 3.180 -8.895 39 HB2 ALA 36 HB2 ALA 36 -6.370 1.736 -7.874 40 HB3 ALA 36 HB3 ALA 36 -6.764 1.567 -9.599 41 H GLU 37 H GLU 37 -9.700 4.461 -8.194 42 HA GLU 37 HA GLU 37 -9.953 6.180 -6.781 43 HB2 GLU 37 HB2 GLU 37 -11.333 4.236 -5.763 44 HB3 GLU 37 HB3 GLU 37 -10.131 4.235 -4.487 45 HG2 GLU 37 HG2 GLU 37 -10.929 6.987 -4.926 46 HG3 GLU 37 HG3 GLU 37 -12.402 6.022 -4.989 47 H LEU 38 H LEU 38 -8.982 6.175 -3.847 48 HA LEU 38 HA LEU 38 -6.103 6.623 -4.322 49 HB2 LEU 38 HB2 LEU 38 -6.199 8.977 -3.659 50 HB3 LEU 38 HB3 LEU 38 -6.965 8.628 -5.191 51 HG LEU 38 HG LEU 38 -9.191 8.924 -4.248 52 HD11 LEU 38 HD11 LEU 38 -7.773 9.447 -1.595 53 HD12 LEU 38 HD12 LEU 38 -9.462 9.882 -1.943 54 HD13 LEU 38 HD13 LEU 38 -8.996 8.190 -1.942 55 HD21 LEU 38 HD21 LEU 38 -7.883 10.879 -5.069 56 HD22 LEU 38 HD22 LEU 38 -9.036 11.324 -3.802 57 HD23 LEU 38 HD23 LEU 38 -7.311 11.178 -3.415 58 H ILE 39 H ILE 39 -8.456 5.640 -2.106 59 HA ILE 39 HA ILE 39 -7.630 6.133 0.398 60 HB ILE 39 HB ILE 39 -8.481 3.633 -0.984 61 HG12 ILE 39 HG12 ILE 39 -9.713 4.898 1.484 62 HG13 ILE 39 HG13 ILE 39 -9.878 5.721 -0.062 63 HG21 ILE 39 HG21 ILE 39 -7.644 3.636 1.948 64 HG22 ILE 39 HG22 ILE 39 -8.646 2.395 1.190 65 HG23 ILE 39 HG23 ILE 39 -6.988 2.610 0.654 66 HD11 ILE 39 HD11 ILE 39 -10.737 2.848 0.432 67 HD12 ILE 39 HD12 ILE 39 -11.806 4.270 0.375 68 HD13 ILE 39 HD13 ILE 39 -10.919 3.759 -1.075 69 H VAL 40 H VAL 40 -5.762 3.959 -1.731 70 HA VAL 40 HA VAL 40 -3.705 3.246 0.094 71 HB VAL 40 HB VAL 40 -2.323 2.742 -1.901 72 HG11 VAL 40 HG11 VAL 40 -5.186 1.753 -2.210 73 HG12 VAL 40 HG12 VAL 40 -3.706 0.964 -2.787 74 HG13 VAL 40 HG13 VAL 40 -4.002 1.120 -1.044 75 HG21 VAL 40 HG21 VAL 40 -3.016 4.558 -3.426 76 HG22 VAL 40 HG22 VAL 40 -3.261 2.973 -4.170 77 HG23 VAL 40 HG23 VAL 40 -4.649 3.863 -3.535 78 H MET 41 H MET 41 -4.173 6.290 -1.486 79 HA MET 41 HA MET 41 -1.529 7.280 -0.535 80 HB2 MET 41 HB2 MET 41 -2.050 7.289 -3.026 81 HB3 MET 41 HB3 MET 41 -3.301 8.502 -2.681 82 HG2 MET 41 HG2 MET 41 -1.582 10.050 -1.839 83 HG3 MET 41 HG3 MET 41 -0.340 8.794 -1.985 84 HE1 MET 41 HE1 MET 41 1.276 10.366 -3.347 85 HE2 MET 41 HE2 MET 41 0.730 11.386 -4.696 86 HE3 MET 41 HE3 MET 41 0.084 11.658 -3.062 87 H ARG 42 H ARG 42 -4.689 7.165 0.476 88 HA ARG 42 HA ARG 42 -4.556 9.824 1.829 89 HB2 ARG 42 HB2 ARG 42 -6.731 8.888 0.666 90 HB3 ARG 42 HB3 ARG 42 -6.863 7.883 2.119 91 HG2 ARG 42 HG2 ARG 42 -6.636 10.100 3.466 92 HG3 ARG 42 HG3 ARG 42 -6.792 10.912 1.928 93 HD2 ARG 42 HD2 ARG 42 -8.973 10.997 2.589 94 HD3 ARG 42 HD3 ARG 42 -9.008 9.458 1.709 95 HE ARG 42 HE ARG 42 -8.357 9.125 4.550 96 HH11 ARG 42 HH11 ARG 42 -11.238 9.781 2.561 97 HH12 ARG 42 HH12 ARG 42 -12.237 8.842 3.572 98 HH21 ARG 42 HH21 ARG 42 -9.865 8.388 6.035 99 HH22 ARG 42 HH22 ARG 42 -11.475 8.042 5.471 100 H VAL 43 H VAL 43 -4.724 6.315 2.615 101 HA VAL 43 HA VAL 43 -4.695 6.902 5.479 102 HB VAL 43 HB VAL 43 -4.779 4.571 5.877 103 HG11 VAL 43 HG11 VAL 43 -6.517 5.223 3.470 104 HG12 VAL 43 HG12 VAL 43 -6.860 4.057 4.752 105 HG13 VAL 43 HG13 VAL 43 -6.796 5.778 5.134 106 HG21 VAL 43 HG21 VAL 43 -3.386 3.317 4.492 107 HG22 VAL 43 HG22 VAL 43 -4.948 2.902 3.867 108 HG23 VAL 43 HG23 VAL 43 -3.984 4.091 2.986 109 H ILE 44 H ILE 44 -2.251 5.109 3.543 110 HA ILE 44 HA ILE 44 -0.252 4.962 5.484 111 HB ILE 44 HB ILE 44 0.095 5.341 2.457 112 HG12 ILE 44 HG12 ILE 44 -0.333 2.755 3.995 113 HG13 ILE 44 HG13 ILE 44 -1.554 3.561 3.059 114 HG21 ILE 44 HG21 ILE 44 1.904 4.155 4.606 115 HG22 ILE 44 HG22 ILE 44 2.206 3.977 2.857 116 HG23 ILE 44 HG23 ILE 44 2.216 5.570 3.600 117 HD11 ILE 44 HD11 ILE 44 0.977 2.365 1.923 118 HD12 ILE 44 HD12 ILE 44 -0.723 1.923 1.596 119 HD13 ILE 44 HD13 ILE 44 -0.078 3.470 1.032 120 H TRP 45 H TRP 45 -0.873 7.506 3.131 121 HA TRP 45 HA TRP 45 1.441 9.072 3.283 122 HB2 TRP 45 HB2 TRP 45 -0.283 9.275 1.592 123 HB3 TRP 45 HB3 TRP 45 -1.499 9.692 2.800 124 HD1 TRP 45 HD1 TRP 45 -1.375 12.077 3.915 125 HE1 TRP 45 HE1 TRP 45 -0.298 14.279 3.226 126 HE3 TRP 45 HE3 TRP 45 1.626 10.342 0.147 127 HZ2 TRP 45 HZ2 TRP 45 1.630 15.205 1.239 128 HZ3 TRP 45 HZ3 TRP 45 3.109 11.905 -1.102 129 HH2 TRP 45 HH2 TRP 45 3.113 14.328 -0.549 130 H SER 46 H SER 46 -1.127 8.803 5.599 131 HA SER 46 HA SER 46 -0.544 11.407 6.948 132 HB2 SER 46 HB2 SER 46 -2.832 10.511 6.690 133 HB3 SER 46 HB3 SER 46 -2.405 9.125 7.736 134 HG SER 46 HG SER 46 -2.819 10.369 9.361 135 H LEU 47 H LEU 47 -0.235 7.919 7.572 136 HA LEU 47 HA LEU 47 0.926 8.036 10.122 137 HB2 LEU 47 HB2 LEU 47 -0.361 6.284 8.296 138 HB3 LEU 47 HB3 LEU 47 1.255 5.639 8.346 139 HG LEU 47 HG LEU 47 -0.279 6.329 10.893 140 HD11 LEU 47 HD11 LEU 47 -0.417 3.748 9.281 141 HD12 LEU 47 HD12 LEU 47 -1.054 3.974 10.923 142 HD13 LEU 47 HD13 LEU 47 -1.728 4.904 9.558 143 HD21 LEU 47 HD21 LEU 47 2.151 5.962 10.938 144 HD22 LEU 47 HD22 LEU 47 1.296 4.650 11.803 145 HD23 LEU 47 HD23 LEU 47 1.939 4.388 10.156 146 H GLY 48 H GLY 48 2.259 7.422 6.915 147 HA2 GLY 48 HA2 GLY 48 4.226 8.746 6.235 148 HA3 GLY 48 HA3 GLY 48 5.005 8.296 7.761 149 H GLU 49 H GLU 49 4.391 5.589 7.854 150 HA GLU 49 HA GLU 49 5.559 4.281 5.442 151 HB2 GLU 49 HB2 GLU 49 6.748 4.399 8.223 152 HB3 GLU 49 HB3 GLU 49 6.939 2.948 7.253 153 HG2 GLU 49 HG2 GLU 49 7.974 4.223 5.458 154 HG3 GLU 49 HG3 GLU 49 7.958 5.688 6.468 155 H ALA 50 H ALA 50 4.307 2.615 5.004 156 HA ALA 50 HA ALA 50 3.138 1.005 7.268 157 HB1 ALA 50 HB1 ALA 50 2.034 1.736 4.536 158 HB2 ALA 50 HB2 ALA 50 1.270 0.580 5.641 159 HB3 ALA 50 HB3 ALA 50 1.430 2.267 6.125 160 H ARG 51 H ARG 51 3.502 -1.223 7.184 161 HA ARG 51 HA ARG 51 5.273 -2.256 5.028 162 HB2 ARG 51 HB2 ARG 51 5.092 -4.483 6.259 163 HB3 ARG 51 HB3 ARG 51 6.149 -3.290 6.852 164 HG2 ARG 51 HG2 ARG 51 3.443 -3.853 8.022 165 HG3 ARG 51 HG3 ARG 51 4.951 -4.596 8.557 166 HD2 ARG 51 HD2 ARG 51 5.750 -2.088 8.872 167 HD3 ARG 51 HD3 ARG 51 4.027 -1.749 8.937 168 HE ARG 51 HE ARG 51 5.508 -2.679 11.085 169 HH11 ARG 51 HH11 ARG 51 2.564 -4.280 9.846 170 HH12 ARG 51 HH12 ARG 51 1.703 -3.754 11.266 171 HH21 ARG 51 HH21 ARG 51 4.493 -2.982 12.975 172 HH22 ARG 51 HH22 ARG 51 2.760 -3.336 12.994 173 H VAL 52 H VAL 52 4.598 -4.369 4.078 174 HA VAL 52 HA VAL 52 2.171 -4.196 2.781 175 HB VAL 52 HB VAL 52 3.238 -5.547 1.568 176 HG11 VAL 52 HG11 VAL 52 4.815 -6.455 3.999 177 HG12 VAL 52 HG12 VAL 52 5.171 -6.971 2.314 178 HG13 VAL 52 HG13 VAL 52 5.307 -5.266 2.774 179 HG21 VAL 52 HG21 VAL 52 1.520 -7.041 2.125 180 HG22 VAL 52 HG22 VAL 52 3.031 -7.945 1.923 181 HG23 VAL 52 HG23 VAL 52 2.407 -7.642 3.573 182 H ASP 53 H ASP 53 2.768 -5.843 5.812 183 HA ASP 53 HA ASP 53 -0.091 -6.732 5.942 184 HB2 ASP 53 HB2 ASP 53 0.512 -8.088 7.551 185 HB3 ASP 53 HB3 ASP 53 2.153 -7.774 7.075 186 H GLU 54 H GLU 54 1.435 -3.839 6.464 187 HA GLU 54 HA GLU 54 -0.559 -2.839 8.427 188 HB2 GLU 54 HB2 GLU 54 2.091 -2.244 7.967 189 HB3 GLU 54 HB3 GLU 54 1.297 -0.992 7.062 190 HG2 GLU 54 HG2 GLU 54 0.928 -1.729 10.028 191 HG3 GLU 54 HG3 GLU 54 1.876 -0.361 9.426 192 H ILE 55 H ILE 55 0.479 -2.145 5.053 193 HA ILE 55 HA ILE 55 -1.594 -0.289 4.433 194 HB ILE 55 HB ILE 55 -1.206 -0.895 2.048 195 HG12 ILE 55 HG12 ILE 55 0.447 -3.052 3.361 196 HG13 ILE 55 HG13 ILE 55 -0.834 -3.276 2.146 197 HG21 ILE 55 HG21 ILE 55 1.427 -0.686 3.549 198 HG22 ILE 55 HG22 ILE 55 1.000 -0.019 1.945 199 HG23 ILE 55 HG23 ILE 55 0.267 0.637 3.431 200 HD11 ILE 55 HD11 ILE 55 1.969 -2.279 1.832 201 HD12 ILE 55 HD12 ILE 55 1.180 -3.683 1.060 202 HD13 ILE 55 HD13 ILE 55 0.711 -2.012 0.571 203 H TYR 56 H TYR 56 -1.634 -3.909 4.074 204 HA TYR 56 HA TYR 56 -4.205 -4.178 3.113 205 HB2 TYR 56 HB2 TYR 56 -2.443 -5.886 3.564 206 HB3 TYR 56 HB3 TYR 56 -2.911 -5.892 5.260 207 HD1 TYR 56 HD2 TYR 56 -4.046 -6.397 1.804 208 HD2 TYR 56 HD1 TYR 56 -4.894 -7.116 5.955 209 HE1 TYR 56 HE2 TYR 56 -5.868 -7.918 1.158 210 HE2 TYR 56 HE1 TYR 56 -6.664 -8.764 5.316 211 HH TYR 56 HH TYR 56 -7.757 -9.775 3.577 212 H ALA 57 H ALA 57 -3.125 -3.558 6.323 213 HA ALA 57 HA ALA 57 -5.492 -4.030 7.832 214 HB1 ALA 57 HB1 ALA 57 -3.492 -1.944 8.620 215 HB2 ALA 57 HB2 ALA 57 -4.283 -3.176 9.611 216 HB3 ALA 57 HB3 ALA 57 -2.952 -3.674 8.502 217 H GLN 58 H GLN 58 -4.771 -1.334 5.666 218 HA GLN 58 HA GLN 58 -7.001 0.134 6.955 219 HB2 GLN 58 HB2 GLN 58 -4.613 1.012 5.321 220 HB3 GLN 58 HB3 GLN 58 -6.046 2.024 5.478 221 HG2 GLN 58 HG2 GLN 58 -5.476 2.811 7.420 222 HG3 GLN 58 HG3 GLN 58 -5.358 1.194 8.118 223 HE21 GLN 58 HE22 GLN 58 -3.245 0.025 7.785 224 HE22 GLN 58 HE21 GLN 58 -1.848 1.019 7.971 225 H ILE 59 H ILE 59 -6.866 -2.193 4.723 226 HA ILE 59 HA ILE 59 -8.215 -1.002 2.449 227 HB ILE 59 HB ILE 59 -7.762 -3.884 3.262 228 HG12 ILE 59 HG12 ILE 59 -5.700 -2.462 2.875 229 HG13 ILE 59 HG13 ILE 59 -5.829 -3.924 1.955 230 HG21 ILE 59 HG21 ILE 59 -8.653 -2.732 0.611 231 HG22 ILE 59 HG22 ILE 59 -7.968 -4.366 0.824 232 HG23 ILE 59 HG23 ILE 59 -9.494 -3.922 1.641 233 HD11 ILE 59 HD11 ILE 59 -6.481 -1.148 0.885 234 HD12 ILE 59 HD12 ILE 59 -4.903 -1.946 0.727 235 HD13 ILE 59 HD13 ILE 59 -6.315 -2.655 -0.072 236 HA PRO 60 HA PRO 60 -12.167 -1.402 4.652 237 HB2 PRO 60 HB2 PRO 60 -13.670 0.411 3.319 238 HB3 PRO 60 HB3 PRO 60 -12.282 0.902 4.337 239 HG2 PRO 60 HG2 PRO 60 -12.329 0.494 1.326 240 HG3 PRO 60 HG3 PRO 60 -11.704 1.900 2.258 241 HD2 PRO 60 HD2 PRO 60 -10.079 -0.147 1.383 242 HD3 PRO 60 HD3 PRO 60 -9.785 0.754 2.892 243 H GLN 61 H GLN 61 -14.264 -2.202 4.394 244 HA GLN 61 HA GLN 61 -14.388 -4.408 2.657 245 HB2 GLN 61 HB2 GLN 61 -16.459 -3.187 4.490 246 HB3 GLN 61 HB3 GLN 61 -16.774 -4.621 3.518 247 HG2 GLN 61 HG2 GLN 61 -14.331 -5.278 4.672 248 HG3 GLN 61 HG3 GLN 61 -15.118 -4.365 5.954 249 HE21 GLN 61 HE22 GLN 61 -14.679 -7.476 4.835 250 HE22 GLN 61 HE21 GLN 61 -16.157 -8.145 5.532 251 H GLU 62 H GLU 62 -15.791 -1.225 1.773 252 HA GLU 62 HA GLU 62 -17.790 -2.245 -0.020 253 HB2 GLU 62 HB2 GLU 62 -16.128 0.304 -0.149 254 HB3 GLU 62 HB3 GLU 62 -17.305 -0.145 -1.414 255 HG2 GLU 62 HG2 GLU 62 -19.042 -0.356 0.464 256 HG3 GLU 62 HG3 GLU 62 -17.869 0.506 1.477 257 H LEU 63 H LEU 63 -14.378 -2.159 -0.355 258 HA LEU 63 HA LEU 63 -14.196 -2.339 -3.309 259 HB2 LEU 63 HB2 LEU 63 -12.107 -3.086 -1.219 260 HB3 LEU 63 HB3 LEU 63 -11.856 -2.619 -2.843 261 HG LEU 63 HG LEU 63 -12.781 -0.855 -0.591 262 HD11 LEU 63 HD11 LEU 63 -10.267 -0.922 -2.230 263 HD12 LEU 63 HD12 LEU 63 -10.614 0.204 -0.891 264 HD13 LEU 63 HD13 LEU 63 -10.450 -1.568 -0.585 265 HD21 LEU 63 HD21 LEU 63 -13.890 -0.182 -2.626 266 HD22 LEU 63 HD22 LEU 63 -12.596 0.997 -2.203 267 HD23 LEU 63 HD23 LEU 63 -12.329 -0.227 -3.492 268 H GLU 64 H GLU 64 -14.291 -4.628 -0.756 269 HA GLU 64 HA GLU 64 -14.137 -6.979 -0.551 270 HB2 GLU 64 HB2 GLU 64 -14.856 -7.161 -3.513 271 HB3 GLU 64 HB3 GLU 64 -15.018 -8.386 -2.261 272 HG2 GLU 64 HG2 GLU 64 -16.742 -7.012 -1.138 273 HG3 GLU 64 HG3 GLU 64 -16.607 -5.818 -2.427 274 H TRP 65 H TRP 65 -11.652 -5.710 -1.043 275 HA TRP 65 HA TRP 65 -10.231 -7.213 -3.081 276 HB2 TRP 65 HB2 TRP 65 -9.496 -4.881 -1.328 277 HB3 TRP 65 HB3 TRP 65 -8.311 -5.714 -2.363 278 HD1 TRP 65 HD1 TRP 65 -11.413 -5.709 -4.327 279 HE1 TRP 65 HE1 TRP 65 -11.585 -3.726 -5.891 280 HE3 TRP 65 HE3 TRP 65 -7.567 -2.934 -2.451 281 HZ2 TRP 65 HZ2 TRP 65 -10.158 -1.211 -6.351 282 HZ3 TRP 65 HZ3 TRP 65 -6.975 -0.771 -3.467 283 HH2 TRP 65 HH2 TRP 65 -8.281 0.134 -5.385 284 H SER 66 H SER 66 -9.426 -9.130 -2.744 285 HA SER 66 HA SER 66 -8.484 -10.213 -0.257 286 HB2 SER 66 HB2 SER 66 -8.048 -10.882 -3.192 287 HB3 SER 66 HB3 SER 66 -7.179 -11.763 -1.915 288 HG SER 66 HG SER 66 -9.793 -11.991 -2.683 289 H LEU 67 H LEU 67 -6.234 -10.761 0.336 290 HA LEU 67 HA LEU 67 -4.326 -8.735 0.341 291 HB2 LEU 67 HB2 LEU 67 -4.688 -10.870 1.753 292 HB3 LEU 67 HB3 LEU 67 -3.713 -11.681 0.540 293 HG LEU 67 HG LEU 67 -2.354 -11.144 2.457 294 HD11 LEU 67 HD11 LEU 67 -1.806 -9.043 0.395 295 HD12 LEU 67 HD12 LEU 67 -0.641 -9.877 1.476 296 HD13 LEU 67 HD13 LEU 67 -1.445 -10.783 0.139 297 HD21 LEU 67 HD21 LEU 67 -3.593 -9.099 3.319 298 HD22 LEU 67 HD22 LEU 67 -1.847 -8.896 3.285 299 HD23 LEU 67 HD23 LEU 67 -2.805 -8.155 2.014 300 H ALA 68 H ALA 68 -4.419 -11.373 -2.093 301 HA ALA 68 HA ALA 68 -2.101 -10.517 -3.489 302 HB1 ALA 68 HB1 ALA 68 -4.628 -11.869 -4.554 303 HB2 ALA 68 HB2 ALA 68 -3.053 -11.821 -5.362 304 HB3 ALA 68 HB3 ALA 68 -3.227 -12.695 -3.832 305 H THR 69 H THR 69 -5.341 -9.012 -3.508 306 HA THR 69 HA THR 69 -4.969 -7.437 -5.873 307 HB THR 69 HB THR 69 -6.785 -6.867 -3.520 308 HG1 THR 69 HG1 THR 69 -8.322 -7.749 -4.954 309 HG21 THR 69 HG21 THR 69 -6.434 -5.664 -6.272 310 HG22 THR 69 HG22 THR 69 -8.001 -5.587 -5.430 311 HG23 THR 69 HG23 THR 69 -6.568 -4.824 -4.720 312 H VAL 70 H VAL 70 -4.504 -6.526 -2.273 313 HA VAL 70 HA VAL 70 -3.611 -3.975 -3.072 314 HB VAL 70 HB VAL 70 -4.227 -4.685 -0.667 315 HG11 VAL 70 HG11 VAL 70 -1.313 -5.568 -0.538 316 HG12 VAL 70 HG12 VAL 70 -2.390 -5.292 0.823 317 HG13 VAL 70 HG13 VAL 70 -2.746 -6.603 -0.313 318 HG21 VAL 70 HG21 VAL 70 -3.234 -2.528 -1.401 319 HG22 VAL 70 HG22 VAL 70 -2.655 -2.994 0.222 320 HG23 VAL 70 HG23 VAL 70 -1.610 -3.229 -1.215 321 H LYS 71 H LYS 71 -1.782 -6.891 -2.519 322 HA LYS 71 HA LYS 71 0.866 -6.171 -2.979 323 HB2 LYS 71 HB2 LYS 71 -0.639 -8.637 -3.985 324 HB3 LYS 71 HB3 LYS 71 1.104 -8.524 -3.870 325 HG2 LYS 71 HG2 LYS 71 -0.360 -7.928 -1.327 326 HG3 LYS 71 HG3 LYS 71 -0.549 -9.581 -1.964 327 HD2 LYS 71 HD2 LYS 71 1.766 -9.897 -2.141 328 HD3 LYS 71 HD3 LYS 71 2.105 -8.190 -1.691 329 HE2 LYS 71 HE2 LYS 71 0.906 -8.589 0.506 330 HE3 LYS 71 HE3 LYS 71 0.673 -10.242 0.052 331 HZ1 LYS 71 HZ1 LYS 71 3.343 -9.225 0.631 332 HZ2 LYS 71 HZ2 LYS 71 2.530 -10.466 1.357 333 HZ3 LYS 71 HZ3 LYS 71 3.087 -10.608 -0.170 334 H THR 72 H THR 72 -1.357 -7.143 -5.546 335 HA THR 72 HA THR 72 0.549 -6.436 -7.665 336 HB THR 72 HB THR 72 -1.189 -8.070 -8.089 337 HG1 THR 72 HG1 THR 72 -1.621 -7.382 -10.099 338 HG21 THR 72 HG21 THR 72 -3.156 -5.743 -8.061 339 HG22 THR 72 HG22 THR 72 -3.500 -7.416 -8.564 340 HG23 THR 72 HG23 THR 72 -3.078 -7.064 -6.891 341 H LEU 73 H LEU 73 -2.009 -4.490 -6.052 342 HA LEU 73 HA LEU 73 -2.129 -2.508 -8.073 343 HB2 LEU 73 HB2 LEU 73 -3.762 -3.347 -6.283 344 HB3 LEU 73 HB3 LEU 73 -2.844 -2.398 -5.113 345 HG LEU 73 HG LEU 73 -4.539 -1.496 -7.477 346 HD11 LEU 73 HD11 LEU 73 -4.625 -0.987 -4.466 347 HD12 LEU 73 HD12 LEU 73 -5.812 -0.432 -5.667 348 HD13 LEU 73 HD13 LEU 73 -5.620 -2.171 -5.330 349 HD21 LEU 73 HD21 LEU 73 -2.673 -0.016 -7.486 350 HD22 LEU 73 HD22 LEU 73 -4.016 0.829 -6.685 351 HD23 LEU 73 HD23 LEU 73 -2.671 0.103 -5.716 352 H LEU 74 H LEU 74 -0.328 -2.759 -4.952 353 HA LEU 74 HA LEU 74 0.926 -0.210 -4.914 354 HB2 LEU 74 HB2 LEU 74 2.153 -2.940 -4.314 355 HB3 LEU 74 HB3 LEU 74 2.854 -1.384 -3.849 356 HG LEU 74 HG LEU 74 0.255 -2.570 -2.859 357 HD11 LEU 74 HD11 LEU 74 2.489 -1.849 -1.073 358 HD12 LEU 74 HD12 LEU 74 1.445 -3.319 -1.129 359 HD13 LEU 74 HD13 LEU 74 2.827 -3.176 -2.201 360 HD21 LEU 74 HD21 LEU 74 -0.108 -0.259 -3.049 361 HD22 LEU 74 HD22 LEU 74 0.297 -0.544 -1.321 362 HD23 LEU 74 HD23 LEU 74 1.511 0.132 -2.455 363 H GLY 75 H GLY 75 1.893 -3.096 -6.491 364 HA2 GLY 75 HA2 GLY 75 4.344 -2.306 -7.754 365 HA3 GLY 75 HA3 GLY 75 3.254 -3.569 -8.354 366 H ARG 76 H ARG 76 1.106 -1.400 -8.505 367 HA ARG 76 HA ARG 76 1.692 -0.463 -11.280 368 HB2 ARG 76 HB2 ARG 76 -0.844 -0.034 -9.671 369 HB3 ARG 76 HB3 ARG 76 -0.633 0.173 -11.394 370 HG2 ARG 76 HG2 ARG 76 -0.445 -2.542 -10.006 371 HG3 ARG 76 HG3 ARG 76 -1.926 -1.900 -10.637 372 HD2 ARG 76 HD2 ARG 76 -0.932 -1.815 -12.901 373 HD3 ARG 76 HD3 ARG 76 0.587 -2.466 -12.267 374 HE ARG 76 HE ARG 76 -0.898 -4.498 -11.556 375 HH11 ARG 76 HH11 ARG 76 -1.450 -2.689 -14.499 376 HH12 ARG 76 HH12 ARG 76 -2.104 -4.027 -15.368 377 HH21 ARG 76 HH21 ARG 76 -1.833 -6.237 -12.749 378 HH22 ARG 76 HH22 ARG 76 -2.276 -5.949 -14.387 379 H LEU 77 H LEU 77 0.834 0.789 -7.975 380 HA LEU 77 HA LEU 77 0.976 3.564 -8.613 381 HB2 LEU 77 HB2 LEU 77 2.027 2.393 -5.999 382 HB3 LEU 77 HB3 LEU 77 1.260 3.941 -6.276 383 HG LEU 77 HG LEU 77 -0.056 1.226 -6.273 384 HD11 LEU 77 HD11 LEU 77 -0.291 3.553 -4.382 385 HD12 LEU 77 HD12 LEU 77 -1.073 1.948 -4.250 386 HD13 LEU 77 HD13 LEU 77 0.700 2.078 -4.164 387 HD21 LEU 77 HD21 LEU 77 -1.150 2.452 -7.912 388 HD22 LEU 77 HD22 LEU 77 -2.169 2.599 -6.465 389 HD23 LEU 77 HD23 LEU 77 -1.118 3.962 -6.953 390 H VAL 78 H VAL 78 3.401 1.449 -7.300 391 HA VAL 78 HA VAL 78 5.406 3.478 -7.219 392 HB VAL 78 HB VAL 78 6.697 2.243 -6.028 393 HG11 VAL 78 HG11 VAL 78 4.846 -0.137 -6.118 394 HG12 VAL 78 HG12 VAL 78 5.841 0.438 -4.785 395 HG13 VAL 78 HG13 VAL 78 4.399 1.351 -5.250 396 HG21 VAL 78 HG21 VAL 78 7.785 1.069 -7.870 397 HG22 VAL 78 HG22 VAL 78 7.623 0.088 -6.420 398 HG23 VAL 78 HG23 VAL 78 6.521 -0.201 -7.802 399 H LYS 79 H LYS 79 4.907 1.102 -9.808 400 HA LYS 79 HA LYS 79 6.990 2.149 -11.510 401 HB2 LYS 79 HB2 LYS 79 4.503 0.447 -12.037 402 HB3 LYS 79 HB3 LYS 79 5.608 0.908 -13.317 403 HG2 LYS 79 HG2 LYS 79 6.223 -0.838 -10.918 404 HG3 LYS 79 HG3 LYS 79 6.222 -1.278 -12.626 405 HD2 LYS 79 HD2 LYS 79 8.173 0.549 -11.168 406 HD3 LYS 79 HD3 LYS 79 8.509 -1.079 -11.781 407 HE2 LYS 79 HE2 LYS 79 8.081 -0.314 -14.099 408 HE3 LYS 79 HE3 LYS 79 7.713 1.311 -13.490 409 HZ1 LYS 79 HZ1 LYS 79 10.360 -0.012 -13.224 410 HZ2 LYS 79 HZ2 LYS 79 10.028 1.152 -14.318 411 HZ3 LYS 79 HZ3 LYS 79 9.976 1.519 -12.726 412 H LYS 80 H LYS 80 4.262 3.630 -10.606 413 HA LYS 80 HA LYS 80 4.349 5.486 -12.969 414 HB2 LYS 80 HB2 LYS 80 2.063 4.499 -11.307 415 HB3 LYS 80 HB3 LYS 80 2.055 6.213 -11.631 416 HG2 LYS 80 HG2 LYS 80 0.806 5.370 -13.368 417 HG3 LYS 80 HG3 LYS 80 2.373 5.693 -14.106 418 HD2 LYS 80 HD2 LYS 80 2.908 3.219 -13.803 419 HD3 LYS 80 HD3 LYS 80 1.245 2.980 -13.262 420 HE2 LYS 80 HE2 LYS 80 2.180 3.988 -15.993 421 HE3 LYS 80 HE3 LYS 80 1.532 2.387 -15.650 422 HZ1 LYS 80 HZ1 LYS 80 0.006 4.929 -15.450 423 HZ2 LYS 80 HZ2 LYS 80 -0.128 3.806 -16.643 424 HZ3 LYS 80 HZ3 LYS 80 -0.644 3.434 -15.164 425 H GLU 81 H GLU 81 5.827 5.379 -10.075 426 HA GLU 81 HA GLU 81 6.807 6.896 -8.734 427 HB2 GLU 81 HB2 GLU 81 6.083 9.069 -10.723 428 HB3 GLU 81 HB3 GLU 81 7.310 9.128 -9.464 429 HG2 GLU 81 HG2 GLU 81 8.564 7.295 -10.603 430 HG3 GLU 81 HG3 GLU 81 7.397 7.352 -11.931 431 H MET 82 H MET 82 3.781 6.406 -8.417 432 HA MET 82 HA MET 82 2.817 8.873 -7.153 433 HB2 MET 82 HB2 MET 82 1.846 5.988 -6.955 434 HB3 MET 82 HB3 MET 82 0.988 7.402 -6.368 435 HG2 MET 82 HG2 MET 82 1.648 6.714 -9.250 436 HG3 MET 82 HG3 MET 82 0.073 6.569 -8.483 437 HE1 MET 82 HE1 MET 82 0.029 9.444 -6.796 438 HE2 MET 82 HE2 MET 82 -0.932 10.369 -7.959 439 HE3 MET 82 HE3 MET 82 -1.360 8.680 -7.610 440 H LEU 83 H LEU 83 4.054 5.696 -6.205 441 HA LEU 83 HA LEU 83 4.807 6.679 -3.492 442 HB2 LEU 83 HB2 LEU 83 3.755 3.879 -4.097 443 HB3 LEU 83 HB3 LEU 83 4.170 4.554 -2.534 444 HG LEU 83 HG LEU 83 1.689 4.976 -4.181 445 HD11 LEU 83 HD11 LEU 83 2.134 4.477 -1.208 446 HD12 LEU 83 HD12 LEU 83 0.591 4.422 -2.077 447 HD13 LEU 83 HD13 LEU 83 1.843 3.203 -2.406 448 HD21 LEU 83 HD21 LEU 83 1.979 7.171 -3.755 449 HD22 LEU 83 HD22 LEU 83 1.132 6.717 -2.280 450 HD23 LEU 83 HD23 LEU 83 2.921 6.915 -2.257 451 H SER 84 H SER 84 6.359 5.201 -2.433 452 HA SER 84 HA SER 84 7.956 3.488 -4.282 453 HB2 SER 84 HB2 SER 84 9.204 5.541 -2.428 454 HB3 SER 84 HB3 SER 84 10.058 4.187 -3.225 455 HG SER 84 HG SER 84 9.975 6.358 -4.318 456 H THR 85 H THR 85 9.542 2.121 -3.094 457 HA THR 85 HA THR 85 8.792 1.472 -0.318 458 HB THR 85 HB THR 85 7.170 0.296 -1.599 459 HG1 THR 85 HG1 THR 85 8.279 -0.849 0.087 460 HG21 THR 85 HG21 THR 85 9.387 -0.971 -3.233 461 HG22 THR 85 HG22 THR 85 7.641 -1.276 -3.376 462 HG23 THR 85 HG23 THR 85 8.288 0.315 -3.805 463 H GLU 86 H GLU 86 10.208 0.209 0.748 464 HA GLU 86 HA GLU 86 12.712 -0.751 -0.533 465 HB2 GLU 86 HB2 GLU 86 12.645 1.151 1.831 466 HB3 GLU 86 HB3 GLU 86 14.052 0.188 1.412 467 HG2 GLU 86 HG2 GLU 86 12.846 2.134 -0.591 468 HG3 GLU 86 HG3 GLU 86 13.941 2.647 0.664 469 H LYS 87 H LYS 87 13.980 -1.886 1.580 470 HA LYS 87 HA LYS 87 11.969 -3.949 2.419 471 HB2 LYS 87 HB2 LYS 87 13.790 -4.311 0.607 472 HB3 LYS 87 HB3 LYS 87 14.905 -4.454 1.937 473 HG2 LYS 87 HG2 LYS 87 12.389 -6.087 2.195 474 HG3 LYS 87 HG3 LYS 87 13.355 -6.443 0.777 475 HD2 LYS 87 HD2 LYS 87 14.037 -7.918 2.494 476 HD3 LYS 87 HD3 LYS 87 15.350 -6.780 2.175 477 HE2 LYS 87 HE2 LYS 87 15.315 -7.033 4.503 478 HE3 LYS 87 HE3 LYS 87 14.600 -5.459 4.173 479 HZ1 LYS 87 HZ1 LYS 87 13.161 -7.986 4.760 480 HZ2 LYS 87 HZ2 LYS 87 13.332 -6.790 5.811 481 HZ3 LYS 87 HZ3 LYS 87 12.379 -6.520 4.488 482 H GLU 88 H GLU 88 11.553 -3.970 4.527 483 HA GLU 88 HA GLU 88 13.744 -3.453 6.511 484 HB2 GLU 88 HB2 GLU 88 11.349 -1.812 5.998 485 HB3 GLU 88 HB3 GLU 88 11.409 -2.368 7.662 486 HG2 GLU 88 HG2 GLU 88 13.696 -0.963 6.220 487 HG3 GLU 88 HG3 GLU 88 12.520 -0.181 7.279 488 H GLY 89 H GLY 89 13.292 -4.198 8.707 489 HA2 GLY 89 HA2 GLY 89 13.295 -6.263 9.823 490 HA3 GLY 89 HA3 GLY 89 11.555 -6.005 9.714 491 H ARG 90 H ARG 90 10.542 -7.806 9.063 492 HA ARG 90 HA ARG 90 11.832 -9.669 7.122 493 HB2 ARG 90 HB2 ARG 90 10.946 -10.251 9.523 494 HB3 ARG 90 HB3 ARG 90 9.363 -10.303 8.738 495 HG2 ARG 90 HG2 ARG 90 10.167 -12.109 7.244 496 HG3 ARG 90 HG3 ARG 90 11.816 -11.910 7.852 497 HD2 ARG 90 HD2 ARG 90 10.777 -13.865 8.875 498 HD3 ARG 90 HD3 ARG 90 11.125 -12.639 10.098 499 HE ARG 90 HE ARG 90 8.746 -11.984 10.062 500 HH11 ARG 90 HH11 ARG 90 9.393 -15.349 9.222 501 HH12 ARG 90 HH12 ARG 90 7.690 -15.693 9.088 502 HH21 ARG 90 HH21 ARG 90 6.659 -12.471 9.615 503 HH22 ARG 90 HH22 ARG 90 6.182 -14.139 9.389 504 H LYS 91 H LYS 91 10.413 -7.125 6.304 505 HA LYS 91 HA LYS 91 8.691 -8.111 4.157 506 HB2 LYS 91 HB2 LYS 91 7.866 -6.278 6.473 507 HB3 LYS 91 HB3 LYS 91 6.972 -6.278 4.981 508 HG2 LYS 91 HG2 LYS 91 7.175 -8.591 6.917 509 HG3 LYS 91 HG3 LYS 91 5.771 -7.568 6.532 510 HD2 LYS 91 HD2 LYS 91 5.602 -8.394 4.338 511 HD3 LYS 91 HD3 LYS 91 7.130 -9.298 4.462 512 HE2 LYS 91 HE2 LYS 91 4.843 -9.972 6.313 513 HE3 LYS 91 HE3 LYS 91 4.777 -10.492 4.618 514 HZ1 LYS 91 HZ1 LYS 91 5.814 -12.213 5.814 515 HZ2 LYS 91 HZ2 LYS 91 7.001 -11.496 4.948 516 HZ3 LYS 91 HZ3 LYS 91 6.859 -11.177 6.580 517 H PHE 92 H PHE 92 7.632 -6.113 3.132 518 HA PHE 92 HA PHE 92 9.712 -4.162 2.224 519 HB2 PHE 92 HB2 PHE 92 6.959 -4.965 1.237 520 HB3 PHE 92 HB3 PHE 92 7.693 -3.422 0.804 521 HD1 PHE 92 HD2 PHE 92 9.845 -3.299 -0.361 522 HD2 PHE 92 HD1 PHE 92 7.737 -6.991 0.248 523 HE1 PHE 92 HE2 PHE 92 11.227 -4.333 -2.109 524 HE2 PHE 92 HE1 PHE 92 9.158 -8.082 -1.520 525 HZ PHE 92 HZ PHE 92 10.894 -6.753 -2.706 526 H VAL 93 H VAL 93 9.312 -1.980 2.623 527 HA VAL 93 HA VAL 93 6.904 -1.212 4.205 528 HB VAL 93 HB VAL 93 9.050 -1.032 5.539 529 HG11 VAL 93 HG11 VAL 93 9.597 1.302 3.633 530 HG12 VAL 93 HG12 VAL 93 10.471 0.936 5.138 531 HG13 VAL 93 HG13 VAL 93 10.557 -0.212 3.790 532 HG21 VAL 93 HG21 VAL 93 7.010 0.119 6.170 533 HG22 VAL 93 HG22 VAL 93 8.409 1.155 6.461 534 HG23 VAL 93 HG23 VAL 93 7.386 1.470 5.041 535 H TYR 94 H TYR 94 5.796 0.432 3.434 536 HA TYR 94 HA TYR 94 6.462 1.442 0.712 537 HB2 TYR 94 HB2 TYR 94 3.819 0.628 2.008 538 HB3 TYR 94 HB3 TYR 94 3.976 1.375 0.437 539 HD1 TYR 94 HD1 TYR 94 4.996 0.209 -1.450 540 HD2 TYR 94 HD2 TYR 94 4.430 -1.838 2.325 541 HE1 TYR 94 HE1 TYR 94 5.487 -1.976 -2.541 542 HE2 TYR 94 HE2 TYR 94 4.769 -3.975 1.190 543 HH TYR 94 HH TYR 94 5.745 -4.241 -2.207 544 H ARG 95 H ARG 95 6.884 3.418 0.717 545 HA ARG 95 HA ARG 95 5.434 5.483 2.363 546 HB2 ARG 95 HB2 ARG 95 7.722 6.508 2.811 547 HB3 ARG 95 HB3 ARG 95 7.354 5.019 3.650 548 HG2 ARG 95 HG2 ARG 95 8.988 3.817 2.510 549 HG3 ARG 95 HG3 ARG 95 8.803 4.759 1.035 550 HD2 ARG 95 HD2 ARG 95 10.951 5.244 1.872 551 HD3 ARG 95 HD3 ARG 95 9.939 6.678 2.073 552 HE ARG 95 HE ARG 95 10.170 4.975 4.504 553 HH11 ARG 95 HH11 ARG 95 11.601 7.704 2.788 554 HH12 ARG 95 HH12 ARG 95 12.680 8.013 4.161 555 HH21 ARG 95 HH21 ARG 95 11.426 5.557 6.126 556 HH22 ARG 95 HH22 ARG 95 12.564 6.921 5.949 557 HA PRO 96 HA PRO 96 6.098 8.203 -1.229 558 HB2 PRO 96 HB2 PRO 96 6.399 10.678 -0.099 559 HB3 PRO 96 HB3 PRO 96 4.792 9.808 -0.173 560 HG2 PRO 96 HG2 PRO 96 6.799 9.908 2.141 561 HG3 PRO 96 HG3 PRO 96 5.037 10.216 2.177 562 HD2 PRO 96 HD2 PRO 96 6.045 7.812 2.841 563 HD3 PRO 96 HD3 PRO 96 4.535 7.924 1.959 564 H LEU 97 H LEU 97 7.834 10.058 -1.847 565 HA LEU 97 HA LEU 97 10.472 8.981 -1.477 566 HB2 LEU 97 HB2 LEU 97 9.056 10.518 -3.428 567 HB3 LEU 97 HB3 LEU 97 10.315 11.591 -2.814 568 HG LEU 97 HG LEU 97 11.043 10.453 -4.813 569 HD11 LEU 97 HD11 LEU 97 12.502 9.316 -2.399 570 HD12 LEU 97 HD12 LEU 97 13.143 9.456 -4.046 571 HD13 LEU 97 HD13 LEU 97 12.757 10.917 -3.129 572 HD21 LEU 97 HD21 LEU 97 9.614 8.456 -4.580 573 HD22 LEU 97 HD22 LEU 97 11.298 8.046 -4.972 574 HD23 LEU 97 HD23 LEU 97 10.693 7.823 -3.315 575 H MET 98 H MET 98 11.974 11.382 -1.512 576 HA MET 98 HA MET 98 11.444 12.894 0.907 577 HB2 MET 98 HB2 MET 98 13.537 12.392 2.055 578 HB3 MET 98 HB3 MET 98 12.499 10.964 1.927 579 HG2 MET 98 HG2 MET 98 13.919 10.196 -0.014 580 HG3 MET 98 HG3 MET 98 15.021 11.551 0.315 581 HE1 MET 98 HE1 MET 98 17.002 9.638 0.519 582 HE2 MET 98 HE2 MET 98 16.870 8.236 1.608 583 HE3 MET 98 HE3 MET 98 15.764 8.380 0.221 584 H GLU 99 H GLU 99 13.753 14.295 1.193 585 HA GLU 99 HA GLU 99 13.922 15.733 -1.410 586 HB2 GLU 99 HB2 GLU 99 13.510 17.769 -0.160 587 HB3 GLU 99 HB3 GLU 99 12.235 16.610 0.147 588 HG2 GLU 99 HG2 GLU 99 13.690 15.987 2.286 589 HG3 GLU 99 HG3 GLU 99 14.419 17.571 2.012
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