NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
527729 | 2lm4 | 18098 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 2.910 14.066 14.219 2 H2 MET 1 H2 MET 1 4.090 15.260 14.014 3 H3 MET 1 H3 MET 1 4.081 14.310 15.413 4 HA MET 1 HA MET 1 4.538 13.328 12.665 5 HB2 MET 1 HB2 MET 1 6.509 13.855 14.924 6 HB3 MET 1 HB3 MET 1 6.905 12.889 13.508 7 HG2 MET 1 HG2 MET 1 7.766 15.138 13.256 8 HG3 MET 1 HG3 MET 1 6.499 14.847 12.062 9 HE1 MET 1 HE1 MET 1 6.134 18.688 12.927 10 HE2 MET 1 HE2 MET 1 6.365 17.521 11.626 11 HE3 MET 1 HE3 MET 1 7.629 17.757 12.834 12 H GLY 2 H GLY 2 3.418 11.447 12.649 13 HA2 GLY 2 HA2 GLY 2 3.109 9.198 12.955 14 HA3 GLY 2 HA3 GLY 2 4.396 9.194 14.138 15 H HIS 3 H HIS 3 2.151 7.618 14.383 16 HA HIS 3 HA HIS 3 1.290 8.473 17.061 17 HB2 HIS 3 HB2 HIS 3 -0.614 7.407 14.922 18 HB3 HIS 3 HB3 HIS 3 -0.998 7.382 16.640 19 HD1 HIS 3 HD1 HIS 3 -0.860 9.923 17.783 20 HD2 HIS 3 HD2 HIS 3 -1.489 9.679 13.692 21 HE1 HIS 3 HE1 HIS 3 -1.786 12.153 17.120 22 HE2 HIS 3 HE2 HIS 3 -2.348 11.906 14.686 23 H HIS 4 H HIS 4 2.832 7.101 17.917 24 HA HIS 4 HA HIS 4 3.027 4.301 17.158 25 HB2 HIS 4 HB2 HIS 4 5.035 5.707 17.741 26 HB3 HIS 4 HB3 HIS 4 4.464 5.806 19.399 27 HD1 HIS 4 HD1 HIS 4 4.648 3.646 20.840 28 HD2 HIS 4 HD2 HIS 4 6.309 3.313 17.048 29 HE1 HIS 4 HE1 HIS 4 6.033 1.558 20.902 30 HE2 HIS 4 HE2 HIS 4 6.883 1.286 18.551 31 H HIS 5 H HIS 5 0.679 4.014 17.741 32 HA HIS 5 HA HIS 5 0.335 3.204 20.581 33 HB2 HIS 5 HB2 HIS 5 -1.188 5.088 19.760 34 HB3 HIS 5 HB3 HIS 5 -1.893 3.953 18.619 35 HD1 HIS 5 HD1 HIS 5 -2.133 5.138 22.065 36 HD2 HIS 5 HD2 HIS 5 -3.389 1.798 19.933 37 HE1 HIS 5 HE1 HIS 5 -3.871 4.043 23.503 38 HE2 HIS 5 HE2 HIS 5 -4.652 2.053 22.180 39 H HIS 6 H HIS 6 0.544 1.034 20.732 40 HA HIS 6 HA HIS 6 0.340 -0.722 18.466 41 HB2 HIS 6 HB2 HIS 6 0.842 -2.544 20.075 42 HB3 HIS 6 HB3 HIS 6 1.978 -1.212 20.189 43 HD1 HIS 6 HD1 HIS 6 2.264 -0.132 22.451 44 HD2 HIS 6 HD2 HIS 6 -0.962 -2.743 22.346 45 HE1 HIS 6 HE1 HIS 6 1.545 -0.399 24.836 46 HE2 HIS 6 HE2 HIS 6 -0.490 -1.865 24.733 47 H HIS 7 H HIS 7 -1.250 -2.168 17.896 48 HA HIS 7 HA HIS 7 -3.876 -1.924 19.282 49 HB2 HIS 7 HB2 HIS 7 -3.422 -2.545 16.327 50 HB3 HIS 7 HB3 HIS 7 -4.960 -2.209 17.119 51 HD1 HIS 7 HD1 HIS 7 -2.666 -0.629 14.997 52 HD2 HIS 7 HD2 HIS 7 -4.746 0.607 18.369 53 HE1 HIS 7 HE1 HIS 7 -2.664 1.873 14.896 54 HE2 HIS 7 HE2 HIS 7 -4.097 2.583 16.832 55 H HIS 8 H HIS 8 -5.234 -3.786 19.362 56 HA HIS 8 HA HIS 8 -3.843 -6.367 19.454 57 HB2 HIS 8 HB2 HIS 8 -6.709 -5.670 20.247 58 HB3 HIS 8 HB3 HIS 8 -5.874 -7.184 20.592 59 HD1 HIS 8 HD1 HIS 8 -6.600 -3.972 22.039 60 HD2 HIS 8 HD2 HIS 8 -3.498 -6.716 22.358 61 HE1 HIS 8 HE1 HIS 8 -5.373 -3.354 24.132 62 HE2 HIS 8 HE2 HIS 8 -3.643 -5.150 24.407 63 H SER 9 H SER 9 -3.756 -7.569 17.647 64 HA SER 9 HA SER 9 -6.094 -7.794 15.855 65 HB2 SER 9 HB2 SER 9 -4.692 -6.062 14.823 66 HB3 SER 9 HB3 SER 9 -3.272 -7.104 14.914 67 HG SER 9 HG SER 9 -3.867 -7.903 13.073 68 H HIS 10 H HIS 10 -6.224 -9.712 14.697 69 HA HIS 10 HA HIS 10 -4.382 -11.898 15.496 70 HB2 HIS 10 HB2 HIS 10 -7.306 -12.020 14.634 71 HB3 HIS 10 HB3 HIS 10 -6.299 -13.428 14.966 72 HD1 HIS 10 HD1 HIS 10 -8.016 -10.554 16.700 73 HD2 HIS 10 HD2 HIS 10 -5.935 -14.017 17.669 74 HE1 HIS 10 HE1 HIS 10 -8.317 -10.853 19.172 75 HE2 HIS 10 HE2 HIS 10 -7.234 -13.064 19.683 76 H MET 11 H MET 11 -2.910 -12.185 13.933 77 HA MET 11 HA MET 11 -3.340 -11.492 11.172 78 HB2 MET 11 HB2 MET 11 -0.981 -12.309 10.852 79 HB3 MET 11 HB3 MET 11 -1.158 -11.069 12.082 80 HG2 MET 11 HG2 MET 11 -1.014 -12.801 13.837 81 HG3 MET 11 HG3 MET 11 -0.804 -14.034 12.595 82 HE1 MET 11 HE1 MET 11 2.705 -12.994 11.075 83 HE2 MET 11 HE2 MET 11 1.122 -12.489 10.480 84 HE3 MET 11 HE3 MET 11 1.384 -14.158 10.986 85 H ILE 12 H ILE 12 -5.170 -12.884 10.761 86 HA ILE 12 HA ILE 12 -4.753 -15.772 10.512 87 HB ILE 12 HB ILE 12 -7.192 -14.046 9.858 88 HG12 ILE 12 HG12 ILE 12 -6.636 -15.857 12.256 89 HG13 ILE 12 HG13 ILE 12 -6.618 -14.098 12.288 90 HG21 ILE 12 HG21 ILE 12 -7.220 -16.105 8.499 91 HG22 ILE 12 HG22 ILE 12 -8.477 -16.168 9.732 92 HG23 ILE 12 HG23 ILE 12 -6.987 -17.086 9.948 93 HD11 ILE 12 HD11 ILE 12 -9.020 -15.864 11.806 94 HD12 ILE 12 HD12 ILE 12 -9.032 -14.098 11.767 95 HD13 ILE 12 HD13 ILE 12 -8.645 -14.945 13.263 96 H LYS 13 H LYS 13 -3.271 -16.074 8.878 97 HA LYS 13 HA LYS 13 -3.525 -14.765 6.282 98 HB2 LYS 13 HB2 LYS 13 -1.295 -15.134 7.352 99 HB3 LYS 13 HB3 LYS 13 -1.531 -16.864 7.229 100 HG2 LYS 13 HG2 LYS 13 -0.081 -16.369 5.456 101 HG3 LYS 13 HG3 LYS 13 -1.649 -16.503 4.665 102 HD2 LYS 13 HD2 LYS 13 -0.402 -13.837 5.478 103 HD3 LYS 13 HD3 LYS 13 -0.145 -14.572 3.897 104 HE2 LYS 13 HE2 LYS 13 -2.625 -14.478 3.514 105 HE3 LYS 13 HE3 LYS 13 -2.793 -13.625 5.048 106 HZ1 LYS 13 HZ1 LYS 13 -2.763 -12.077 3.266 107 HZ2 LYS 13 HZ2 LYS 13 -1.318 -12.702 2.660 108 HZ3 LYS 13 HZ3 LYS 13 -1.330 -11.893 4.149 109 H ARG 14 H ARG 14 -5.604 -15.626 5.736 110 HA ARG 14 HA ARG 14 -5.504 -18.295 4.474 111 HB2 ARG 14 HB2 ARG 14 -7.793 -17.259 6.213 112 HB3 ARG 14 HB3 ARG 14 -7.907 -18.672 5.167 113 HG2 ARG 14 HG2 ARG 14 -6.085 -19.760 6.508 114 HG3 ARG 14 HG3 ARG 14 -6.105 -18.368 7.598 115 HD2 ARG 14 HD2 ARG 14 -8.431 -18.846 8.212 116 HD3 ARG 14 HD3 ARG 14 -8.491 -20.176 7.046 117 HE ARG 14 HE ARG 14 -6.393 -20.545 8.948 118 HH11 ARG 14 HH11 ARG 14 -9.818 -20.877 8.599 119 HH12 ARG 14 HH12 ARG 14 -9.926 -22.094 9.817 120 HH21 ARG 14 HH21 ARG 14 -6.568 -22.120 10.487 121 HH22 ARG 14 HH22 ARG 14 -8.118 -22.783 10.867 122 H THR 15 H THR 15 -6.390 -18.366 2.455 123 HA THR 15 HA THR 15 -8.196 -16.214 1.530 124 HB THR 15 HB THR 15 -5.795 -17.224 -0.068 125 HG1 THR 15 HG1 THR 15 -6.156 -15.086 1.600 126 HG21 THR 15 HG21 THR 15 -7.922 -15.183 -0.846 127 HG22 THR 15 HG22 THR 15 -7.724 -16.786 -1.562 128 HG23 THR 15 HG23 THR 15 -6.471 -15.565 -1.783 129 H ASN 16 H ASN 16 -10.009 -17.418 1.443 130 HA ASN 16 HA ASN 16 -10.133 -19.518 -0.651 131 HB2 ASN 16 HB2 ASN 16 -10.322 -20.619 1.579 132 HB3 ASN 16 HB3 ASN 16 -11.658 -19.560 2.003 133 HD21 ASN 16 HD21 ASN 16 -13.686 -19.926 1.059 134 HD22 ASN 16 HD22 ASN 16 -14.076 -21.396 0.243 135 H GLU 17 H GLU 17 -10.593 -17.672 -1.972 136 HA GLU 17 HA GLU 17 -13.363 -16.918 -2.222 137 HB2 GLU 17 HB2 GLU 17 -13.000 -14.499 -1.920 138 HB3 GLU 17 HB3 GLU 17 -12.585 -15.355 -0.443 139 HG2 GLU 17 HG2 GLU 17 -10.165 -15.216 -1.125 140 HG3 GLU 17 HG3 GLU 17 -10.650 -14.202 -2.483 141 HA PRO 18 HA PRO 18 -12.052 -16.040 -6.589 142 HB2 PRO 18 HB2 PRO 18 -13.771 -13.573 -6.232 143 HB3 PRO 18 HB3 PRO 18 -13.749 -14.750 -7.558 144 HG2 PRO 18 HG2 PRO 18 -15.697 -14.808 -5.740 145 HG3 PRO 18 HG3 PRO 18 -15.004 -16.323 -6.357 146 HD2 PRO 18 HD2 PRO 18 -14.540 -14.954 -3.718 147 HD3 PRO 18 HD3 PRO 18 -14.663 -16.690 -4.083 148 H LEU 19 H LEU 19 -10.307 -14.878 -7.403 149 HA LEU 19 HA LEU 19 -8.705 -13.356 -5.627 150 HB2 LEU 19 HB2 LEU 19 -8.320 -14.668 -8.106 151 HB3 LEU 19 HB3 LEU 19 -7.936 -12.998 -8.455 152 HG LEU 19 HG LEU 19 -5.938 -14.327 -7.847 153 HD11 LEU 19 HD11 LEU 19 -5.883 -11.928 -7.420 154 HD12 LEU 19 HD12 LEU 19 -4.949 -12.801 -6.208 155 HD13 LEU 19 HD13 LEU 19 -6.552 -12.176 -5.804 156 HD21 LEU 19 HD21 LEU 19 -7.218 -14.629 -5.106 157 HD22 LEU 19 HD22 LEU 19 -5.596 -15.161 -5.565 158 HD23 LEU 19 HD23 LEU 19 -7.007 -15.915 -6.299 159 H ASP 20 H ASP 20 -10.915 -12.361 -8.185 160 HA ASP 20 HA ASP 20 -10.487 -9.574 -8.146 161 HB2 ASP 20 HB2 ASP 20 -12.874 -9.414 -8.962 162 HB3 ASP 20 HB3 ASP 20 -11.862 -10.524 -9.877 163 H LYS 21 H LYS 21 -12.581 -11.597 -6.022 164 HA LYS 21 HA LYS 21 -13.557 -9.461 -4.391 165 HB2 LYS 21 HB2 LYS 21 -13.330 -12.441 -3.866 166 HB3 LYS 21 HB3 LYS 21 -13.959 -11.330 -2.651 167 HG2 LYS 21 HG2 LYS 21 -15.700 -10.616 -4.352 168 HG3 LYS 21 HG3 LYS 21 -15.152 -11.962 -5.367 169 HD2 LYS 21 HD2 LYS 21 -15.715 -13.560 -3.578 170 HD3 LYS 21 HD3 LYS 21 -16.182 -12.236 -2.507 171 HE2 LYS 21 HE2 LYS 21 -18.014 -11.648 -4.081 172 HE3 LYS 21 HE3 LYS 21 -17.556 -13.018 -5.101 173 HZ1 LYS 21 HZ1 LYS 21 -18.062 -14.504 -3.288 174 HZ2 LYS 21 HZ2 LYS 21 -19.406 -13.536 -3.623 175 HZ3 LYS 21 HZ3 LYS 21 -18.443 -13.209 -2.272 176 H LYS 22 H LYS 22 -10.591 -11.403 -4.231 177 HA LYS 22 HA LYS 22 -9.743 -10.503 -1.662 178 HB2 LYS 22 HB2 LYS 22 -8.797 -12.531 -2.798 179 HB3 LYS 22 HB3 LYS 22 -7.971 -11.475 -3.944 180 HG2 LYS 22 HG2 LYS 22 -6.688 -10.452 -2.092 181 HG3 LYS 22 HG3 LYS 22 -7.538 -11.486 -0.933 182 HD2 LYS 22 HD2 LYS 22 -6.580 -13.480 -2.178 183 HD3 LYS 22 HD3 LYS 22 -5.604 -12.338 -3.107 184 HE2 LYS 22 HE2 LYS 22 -4.382 -11.662 -1.172 185 HE3 LYS 22 HE3 LYS 22 -5.527 -12.448 -0.083 186 HZ1 LYS 22 HZ1 LYS 22 -3.762 -13.876 -1.985 187 HZ2 LYS 22 HZ2 LYS 22 -4.798 -14.581 -0.854 188 HZ3 LYS 22 HZ3 LYS 22 -3.461 -13.685 -0.336 189 H ARG 23 H ARG 23 -9.121 -9.311 -4.970 190 HA ARG 23 HA ARG 23 -7.463 -7.111 -4.351 191 HB2 ARG 23 HB2 ARG 23 -9.516 -7.378 -6.589 192 HB3 ARG 23 HB3 ARG 23 -8.280 -6.120 -6.510 193 HG2 ARG 23 HG2 ARG 23 -6.514 -7.756 -6.725 194 HG3 ARG 23 HG3 ARG 23 -7.668 -9.088 -6.618 195 HD2 ARG 23 HD2 ARG 23 -8.715 -7.860 -8.772 196 HD3 ARG 23 HD3 ARG 23 -7.061 -7.259 -8.929 197 HE ARG 23 HE ARG 23 -8.016 -9.948 -9.363 198 HH11 ARG 23 HH11 ARG 23 -5.135 -8.132 -8.724 199 HH12 ARG 23 HH12 ARG 23 -4.115 -9.333 -9.429 200 HH21 ARG 23 HH21 ARG 23 -6.686 -11.447 -10.219 201 HH22 ARG 23 HH22 ARG 23 -4.983 -11.167 -10.263 202 H ALA 24 H ALA 24 -11.013 -7.380 -4.562 203 HA ALA 24 HA ALA 24 -11.698 -4.725 -3.912 204 HB1 ALA 24 HB1 ALA 24 -13.281 -7.259 -3.362 205 HB2 ALA 24 HB2 ALA 24 -13.295 -6.343 -4.868 206 HB3 ALA 24 HB3 ALA 24 -13.933 -5.616 -3.393 207 H ARG 25 H ARG 25 -11.114 -7.550 -1.817 208 HA ARG 25 HA ARG 25 -11.785 -6.436 0.685 209 HB2 ARG 25 HB2 ARG 25 -11.518 -8.870 0.297 210 HB3 ARG 25 HB3 ARG 25 -9.793 -8.644 0.020 211 HG2 ARG 25 HG2 ARG 25 -9.601 -7.807 2.407 212 HG3 ARG 25 HG3 ARG 25 -11.294 -8.256 2.638 213 HD2 ARG 25 HD2 ARG 25 -9.001 -10.131 1.946 214 HD3 ARG 25 HD3 ARG 25 -9.828 -10.011 3.504 215 HE ARG 25 HE ARG 25 -10.837 -11.245 1.044 216 HH11 ARG 25 HH11 ARG 25 -11.537 -10.375 4.333 217 HH12 ARG 25 HH12 ARG 25 -12.884 -11.453 4.425 218 HH21 ARG 25 HH21 ARG 25 -12.535 -12.598 1.204 219 HH22 ARG 25 HH22 ARG 25 -13.433 -12.707 2.678 220 H LEU 26 H LEU 26 -8.597 -6.734 -0.919 221 HA LEU 26 HA LEU 26 -7.100 -5.541 1.194 222 HB2 LEU 26 HB2 LEU 26 -6.343 -5.941 -1.715 223 HB3 LEU 26 HB3 LEU 26 -5.227 -5.464 -0.447 224 HG LEU 26 HG LEU 26 -6.663 -8.172 -0.620 225 HD11 LEU 26 HD11 LEU 26 -4.432 -9.085 -1.071 226 HD12 LEU 26 HD12 LEU 26 -3.753 -7.454 -1.096 227 HD13 LEU 26 HD13 LEU 26 -4.932 -7.943 -2.317 228 HD21 LEU 26 HD21 LEU 26 -6.322 -7.497 1.722 229 HD22 LEU 26 HD22 LEU 26 -4.618 -7.162 1.400 230 HD23 LEU 26 HD23 LEU 26 -5.232 -8.818 1.293 231 H ILE 27 H ILE 27 -8.388 -4.232 -1.876 232 HA ILE 27 HA ILE 27 -7.498 -1.550 -1.590 233 HB ILE 27 HB ILE 27 -9.910 -2.655 -3.117 234 HG12 ILE 27 HG12 ILE 27 -7.166 -1.801 -4.147 235 HG13 ILE 27 HG13 ILE 27 -7.644 -3.463 -3.864 236 HG21 ILE 27 HG21 ILE 27 -10.281 -0.257 -2.682 237 HG22 ILE 27 HG22 ILE 27 -9.951 -0.531 -4.392 238 HG23 ILE 27 HG23 ILE 27 -8.690 0.126 -3.346 239 HD11 ILE 27 HD11 ILE 27 -8.773 -1.595 -5.949 240 HD12 ILE 27 HD12 ILE 27 -9.360 -3.231 -5.632 241 HD13 ILE 27 HD13 ILE 27 -7.712 -2.983 -6.209 242 H TYR 28 H TYR 28 -10.408 -3.220 -0.390 243 HA TYR 28 HA TYR 28 -11.776 -1.007 0.727 244 HB2 TYR 28 HB2 TYR 28 -12.916 -3.118 0.393 245 HB3 TYR 28 HB3 TYR 28 -11.799 -3.959 1.457 246 HD1 TYR 28 HD2 TYR 28 -14.204 -1.046 1.609 247 HD2 TYR 28 HD1 TYR 28 -12.590 -4.463 3.611 248 HE1 TYR 28 HE2 TYR 28 -15.737 -0.672 3.495 249 HE2 TYR 28 HE1 TYR 28 -14.116 -4.083 5.489 250 HH TYR 28 HH TYR 28 -16.753 -1.933 5.331 251 H GLN 29 H GLN 29 -9.468 -3.287 2.259 252 HA GLN 29 HA GLN 29 -9.423 -2.013 4.832 253 HB2 GLN 29 HB2 GLN 29 -7.406 -3.910 3.563 254 HB3 GLN 29 HB3 GLN 29 -7.459 -3.473 5.272 255 HG2 GLN 29 HG2 GLN 29 -9.649 -4.554 5.506 256 HG3 GLN 29 HG3 GLN 29 -9.668 -4.943 3.786 257 HE21 GLN 29 HE21 GLN 29 -8.156 -6.527 3.009 258 HE22 GLN 29 HE22 GLN 29 -7.474 -7.695 4.084 259 H SER 30 H SER 30 -7.674 -1.551 1.854 260 HA SER 30 HA SER 30 -5.609 0.208 2.738 261 HB2 SER 30 HB2 SER 30 -5.454 -0.836 0.553 262 HB3 SER 30 HB3 SER 30 -6.982 -0.119 0.039 263 HG SER 30 HG SER 30 -4.989 0.933 -0.689 264 H ARG 31 H ARG 31 -8.973 0.670 1.826 265 HA ARG 31 HA ARG 31 -8.864 3.589 2.165 266 HB2 ARG 31 HB2 ARG 31 -11.058 1.703 1.226 267 HB3 ARG 31 HB3 ARG 31 -11.261 3.452 1.365 268 HG2 ARG 31 HG2 ARG 31 -9.512 3.829 -0.303 269 HG3 ARG 31 HG3 ARG 31 -9.173 2.099 -0.386 270 HD2 ARG 31 HD2 ARG 31 -11.348 1.671 -1.380 271 HD3 ARG 31 HD3 ARG 31 -11.822 3.364 -1.171 272 HE ARG 31 HE ARG 31 -9.560 3.529 -2.660 273 HH11 ARG 31 HH11 ARG 31 -12.454 1.710 -3.145 274 HH12 ARG 31 HH12 ARG 31 -12.366 1.855 -4.863 275 HH21 ARG 31 HH21 ARG 31 -9.483 3.707 -4.834 276 HH22 ARG 31 HH22 ARG 31 -10.716 2.977 -5.802 277 H LYS 32 H LYS 32 -9.237 0.972 4.237 278 HA LYS 32 HA LYS 32 -10.626 2.668 6.228 279 HB2 LYS 32 HB2 LYS 32 -9.507 -0.162 6.525 280 HB3 LYS 32 HB3 LYS 32 -10.390 0.733 7.764 281 HG2 LYS 32 HG2 LYS 32 -12.335 0.830 6.085 282 HG3 LYS 32 HG3 LYS 32 -11.443 -0.368 5.146 283 HD2 LYS 32 HD2 LYS 32 -12.327 -0.741 8.032 284 HD3 LYS 32 HD3 LYS 32 -13.226 -1.325 6.635 285 HE2 LYS 32 HE2 LYS 32 -12.039 -3.213 7.459 286 HE3 LYS 32 HE3 LYS 32 -11.135 -2.694 6.040 287 HZ1 LYS 32 HZ1 LYS 32 -9.519 -1.654 7.465 288 HZ2 LYS 32 HZ2 LYS 32 -9.720 -3.260 7.938 289 HZ3 LYS 32 HZ3 LYS 32 -10.421 -2.021 8.843 290 H ARG 33 H ARG 33 -9.341 4.134 7.245 291 HA ARG 33 HA ARG 33 -6.491 3.672 7.779 292 HB2 ARG 33 HB2 ARG 33 -7.518 5.828 5.877 293 HB3 ARG 33 HB3 ARG 33 -5.920 5.890 6.607 294 HG2 ARG 33 HG2 ARG 33 -6.825 3.596 4.844 295 HG3 ARG 33 HG3 ARG 33 -6.071 5.050 4.204 296 HD2 ARG 33 HD2 ARG 33 -4.327 3.447 4.380 297 HD3 ARG 33 HD3 ARG 33 -4.089 4.555 5.731 298 HE ARG 33 HE ARG 33 -5.611 2.186 6.374 299 HH11 ARG 33 HH11 ARG 33 -2.444 3.556 6.320 300 HH12 ARG 33 HH12 ARG 33 -1.791 2.348 7.359 301 HH21 ARG 33 HH21 ARG 33 -4.746 0.663 7.707 302 HH22 ARG 33 HH22 ARG 33 -3.075 0.731 8.125 303 H GLY 34 H GLY 34 -5.585 5.131 9.257 304 HA2 GLY 34 HA2 GLY 34 -7.337 6.459 11.122 305 HA3 GLY 34 HA3 GLY 34 -5.584 6.403 11.177 306 H ILE 35 H ILE 35 -5.109 7.592 8.552 307 HA ILE 35 HA ILE 35 -6.147 10.357 8.929 308 HB ILE 35 HB ILE 35 -4.007 11.308 8.192 309 HG12 ILE 35 HG12 ILE 35 -2.889 8.464 8.230 310 HG13 ILE 35 HG13 ILE 35 -3.250 9.374 6.770 311 HG21 ILE 35 HG21 ILE 35 -2.641 10.832 10.193 312 HG22 ILE 35 HG22 ILE 35 -3.628 9.409 10.535 313 HG23 ILE 35 HG23 ILE 35 -4.348 11.019 10.605 314 HD11 ILE 35 HD11 ILE 35 -1.542 11.021 7.389 315 HD12 ILE 35 HD12 ILE 35 -0.888 9.391 7.234 316 HD13 ILE 35 HD13 ILE 35 -1.171 10.074 8.832 317 H LEU 36 H LEU 36 -6.394 11.654 7.076 318 HA LEU 36 HA LEU 36 -7.295 10.301 4.720 319 HB2 LEU 36 HB2 LEU 36 -7.059 13.266 5.339 320 HB3 LEU 36 HB3 LEU 36 -7.723 12.652 3.839 321 HG LEU 36 HG LEU 36 -9.581 13.242 5.190 322 HD11 LEU 36 HD11 LEU 36 -10.815 11.163 5.484 323 HD12 LEU 36 HD12 LEU 36 -9.318 10.233 5.392 324 HD13 LEU 36 HD13 LEU 36 -9.881 11.144 3.989 325 HD21 LEU 36 HD21 LEU 36 -8.423 11.649 7.496 326 HD22 LEU 36 HD22 LEU 36 -9.984 12.478 7.480 327 HD23 LEU 36 HD23 LEU 36 -8.495 13.409 7.363 328 H GLU 37 H GLU 37 -4.287 11.863 5.556 329 HA GLU 37 HA GLU 37 -3.256 12.368 2.969 330 HB2 GLU 37 HB2 GLU 37 -1.813 11.732 5.572 331 HB3 GLU 37 HB3 GLU 37 -0.997 12.272 4.108 332 HG2 GLU 37 HG2 GLU 37 -3.107 13.864 5.605 333 HG3 GLU 37 HG3 GLU 37 -1.365 14.089 5.760 334 H THR 38 H THR 38 -2.724 9.535 5.100 335 HA THR 38 HA THR 38 -1.448 7.917 3.098 336 HB THR 38 HB THR 38 -2.721 7.007 5.723 337 HG1 THR 38 HG1 THR 38 -0.040 7.140 5.779 338 HG21 THR 38 HG21 THR 38 -0.567 5.682 4.022 339 HG22 THR 38 HG22 THR 38 -2.233 5.117 4.180 340 HG23 THR 38 HG23 THR 38 -1.158 5.098 5.581 341 H ASP 39 H ASP 39 -4.790 8.375 4.151 342 HA ASP 39 HA ASP 39 -6.037 6.188 2.917 343 HB2 ASP 39 HB2 ASP 39 -7.217 7.654 4.498 344 HB3 ASP 39 HB3 ASP 39 -7.122 8.996 3.368 345 H LEU 40 H LEU 40 -5.598 9.493 1.551 346 HA LEU 40 HA LEU 40 -6.593 8.953 -1.041 347 HB2 LEU 40 HB2 LEU 40 -4.606 11.068 -0.135 348 HB3 LEU 40 HB3 LEU 40 -5.395 11.060 -1.706 349 HG LEU 40 HG LEU 40 -6.813 11.373 0.977 350 HD11 LEU 40 HD11 LEU 40 -6.269 13.454 -1.164 351 HD12 LEU 40 HD12 LEU 40 -5.483 13.348 0.414 352 HD13 LEU 40 HD13 LEU 40 -7.206 13.694 0.315 353 HD21 LEU 40 HD21 LEU 40 -8.829 11.883 -0.347 354 HD22 LEU 40 HD22 LEU 40 -8.257 10.245 -0.640 355 HD23 LEU 40 HD23 LEU 40 -7.953 11.507 -1.837 356 H LEU 41 H LEU 41 -3.325 8.773 0.310 357 HA LEU 41 HA LEU 41 -1.814 8.233 -2.000 358 HB2 LEU 41 HB2 LEU 41 -0.831 8.827 0.175 359 HB3 LEU 41 HB3 LEU 41 -1.418 7.328 0.877 360 HG LEU 41 HG LEU 41 0.143 6.043 -0.606 361 HD11 LEU 41 HD11 LEU 41 0.350 7.597 -2.474 362 HD12 LEU 41 HD12 LEU 41 1.937 7.204 -1.819 363 HD13 LEU 41 HD13 LEU 41 1.193 8.762 -1.449 364 HD21 LEU 41 HD21 LEU 41 2.195 6.592 0.621 365 HD22 LEU 41 HD22 LEU 41 0.797 6.622 1.694 366 HD23 LEU 41 HD23 LEU 41 1.503 8.138 1.123 367 H LEU 42 H LEU 42 -3.076 5.854 0.373 368 HA LEU 42 HA LEU 42 -2.332 3.592 -1.228 369 HB2 LEU 42 HB2 LEU 42 -3.899 3.827 1.359 370 HB3 LEU 42 HB3 LEU 42 -3.568 2.284 0.585 371 HG LEU 42 HG LEU 42 -1.490 4.208 1.708 372 HD11 LEU 42 HD11 LEU 42 -2.342 1.447 2.652 373 HD12 LEU 42 HD12 LEU 42 -2.704 2.985 3.441 374 HD13 LEU 42 HD13 LEU 42 -1.039 2.428 3.334 375 HD21 LEU 42 HD21 LEU 42 0.189 2.487 1.136 376 HD22 LEU 42 HD22 LEU 42 -0.597 3.130 -0.302 377 HD23 LEU 42 HD23 LEU 42 -1.056 1.538 0.312 378 H SER 43 H SER 43 -5.337 5.409 -0.867 379 HA SER 43 HA SER 43 -7.151 3.519 -1.954 380 HB2 SER 43 HB2 SER 43 -7.997 5.520 -0.837 381 HB3 SER 43 HB3 SER 43 -7.260 6.565 -2.054 382 HG SER 43 HG SER 43 -9.629 5.929 -2.188 383 H GLY 44 H GLY 44 -5.340 6.161 -3.528 384 HA2 GLY 44 HA2 GLY 44 -6.102 5.565 -6.212 385 HA3 GLY 44 HA3 GLY 44 -4.743 6.561 -5.714 386 H PHE 45 H PHE 45 -3.263 4.688 -4.250 387 HA PHE 45 HA PHE 45 -1.753 3.323 -6.192 388 HB2 PHE 45 HB2 PHE 45 -0.907 4.085 -3.964 389 HB3 PHE 45 HB3 PHE 45 -1.849 2.824 -3.180 390 HD1 PHE 45 HD1 PHE 45 1.043 3.471 -5.423 391 HD2 PHE 45 HD2 PHE 45 -1.028 0.542 -3.104 392 HE1 PHE 45 HE1 PHE 45 2.919 1.916 -5.694 393 HE2 PHE 45 HE2 PHE 45 0.863 -1.002 -3.379 394 HZ PHE 45 HZ PHE 45 2.838 -0.316 -4.676 395 H ALA 46 H ALA 46 -4.134 2.073 -3.864 396 HA ALA 46 HA ALA 46 -3.838 -0.674 -4.468 397 HB1 ALA 46 HB1 ALA 46 -4.797 0.138 -2.346 398 HB2 ALA 46 HB2 ALA 46 -5.859 -1.021 -3.147 399 HB3 ALA 46 HB3 ALA 46 -6.226 0.706 -3.210 400 H ALA 47 H ALA 47 -6.279 1.716 -5.472 401 HA ALA 47 HA ALA 47 -7.913 0.019 -7.030 402 HB1 ALA 47 HB1 ALA 47 -8.844 2.087 -7.986 403 HB2 ALA 47 HB2 ALA 47 -7.493 3.012 -7.319 404 HB3 ALA 47 HB3 ALA 47 -8.645 2.225 -6.239 405 H LYS 48 H LYS 48 -4.859 1.522 -7.766 406 HA LYS 48 HA LYS 48 -5.055 1.191 -10.671 407 HB2 LYS 48 HB2 LYS 48 -4.043 3.212 -9.663 408 HB3 LYS 48 HB3 LYS 48 -2.812 2.223 -8.887 409 HG2 LYS 48 HG2 LYS 48 -1.944 1.578 -11.128 410 HG3 LYS 48 HG3 LYS 48 -3.162 2.611 -11.886 411 HD2 LYS 48 HD2 LYS 48 -0.903 3.507 -10.050 412 HD3 LYS 48 HD3 LYS 48 -1.000 3.775 -11.786 413 HE2 LYS 48 HE2 LYS 48 -2.844 4.953 -9.680 414 HE3 LYS 48 HE3 LYS 48 -1.576 5.810 -10.553 415 HZ1 LYS 48 HZ1 LYS 48 -4.018 4.624 -11.748 416 HZ2 LYS 48 HZ2 LYS 48 -2.793 5.412 -12.607 417 HZ3 LYS 48 HZ3 LYS 48 -3.724 6.268 -11.487 418 H TYR 49 H TYR 49 -2.938 0.004 -8.048 419 HA TYR 49 HA TYR 49 -1.305 -1.566 -9.829 420 HB2 TYR 49 HB2 TYR 49 -1.196 -0.980 -6.855 421 HB3 TYR 49 HB3 TYR 49 -0.125 -2.171 -7.583 422 HD1 TYR 49 HD1 TYR 49 -1.166 1.431 -8.017 423 HD2 TYR 49 HD2 TYR 49 1.968 -1.453 -8.387 424 HE1 TYR 49 HE1 TYR 49 0.408 3.218 -8.600 425 HE2 TYR 49 HE2 TYR 49 3.540 0.343 -8.981 426 HH TYR 49 HH TYR 49 3.478 2.616 -9.909 427 H LEU 50 H LEU 50 -3.793 -2.337 -7.359 428 HA LEU 50 HA LEU 50 -3.214 -5.123 -7.264 429 HB2 LEU 50 HB2 LEU 50 -5.571 -3.493 -6.375 430 HB3 LEU 50 HB3 LEU 50 -5.780 -5.231 -6.509 431 HG LEU 50 HG LEU 50 -3.703 -5.450 -5.004 432 HD11 LEU 50 HD11 LEU 50 -3.204 -3.635 -3.482 433 HD12 LEU 50 HD12 LEU 50 -4.296 -2.571 -4.369 434 HD13 LEU 50 HD13 LEU 50 -2.839 -3.192 -5.151 435 HD21 LEU 50 HD21 LEU 50 -6.210 -4.294 -3.798 436 HD22 LEU 50 HD22 LEU 50 -4.993 -5.264 -2.972 437 HD23 LEU 50 HD23 LEU 50 -5.957 -5.977 -4.259 438 H LYS 51 H LYS 51 -4.975 -3.281 -9.622 439 HA LYS 51 HA LYS 51 -6.341 -5.408 -10.925 440 HB2 LYS 51 HB2 LYS 51 -5.249 -2.784 -12.021 441 HB3 LYS 51 HB3 LYS 51 -6.324 -3.858 -12.918 442 HG2 LYS 51 HG2 LYS 51 -8.076 -3.523 -11.186 443 HG3 LYS 51 HG3 LYS 51 -7.001 -2.411 -10.329 444 HD2 LYS 51 HD2 LYS 51 -8.117 -2.025 -13.143 445 HD3 LYS 51 HD3 LYS 51 -8.647 -1.177 -11.689 446 HE2 LYS 51 HE2 LYS 51 -6.319 -0.233 -11.478 447 HE3 LYS 51 HE3 LYS 51 -5.933 -0.958 -13.041 448 HZ1 LYS 51 HZ1 LYS 51 -7.756 0.373 -13.998 449 HZ2 LYS 51 HZ2 LYS 51 -6.512 1.317 -13.345 450 HZ3 LYS 51 HZ3 LYS 51 -7.966 1.133 -12.500 451 H LYS 52 H LYS 52 -3.036 -4.075 -11.354 452 HA LYS 52 HA LYS 52 -2.428 -5.903 -13.556 453 HB2 LYS 52 HB2 LYS 52 -0.360 -4.666 -13.806 454 HB3 LYS 52 HB3 LYS 52 -1.721 -3.557 -13.702 455 HG2 LYS 52 HG2 LYS 52 -1.148 -2.978 -11.408 456 HG3 LYS 52 HG3 LYS 52 0.124 -4.201 -11.378 457 HD2 LYS 52 HD2 LYS 52 1.171 -2.061 -11.711 458 HD3 LYS 52 HD3 LYS 52 1.283 -2.970 -13.219 459 HE2 LYS 52 HE2 LYS 52 -0.632 -1.672 -14.129 460 HE3 LYS 52 HE3 LYS 52 -0.720 -0.754 -12.623 461 HZ1 LYS 52 HZ1 LYS 52 0.488 0.430 -14.341 462 HZ2 LYS 52 HZ2 LYS 52 1.609 -0.824 -14.457 463 HZ3 LYS 52 HZ3 LYS 52 1.496 0.076 -13.032 464 H MET 53 H MET 53 -1.880 -5.820 -10.116 465 HA MET 53 HA MET 53 0.548 -7.423 -10.175 466 HB2 MET 53 HB2 MET 53 -1.086 -6.270 -7.895 467 HB3 MET 53 HB3 MET 53 0.221 -7.406 -7.600 468 HG2 MET 53 HG2 MET 53 1.753 -5.834 -8.823 469 HG3 MET 53 HG3 MET 53 0.442 -4.654 -8.826 470 HE1 MET 53 HE1 MET 53 -0.605 -3.664 -6.435 471 HE2 MET 53 HE2 MET 53 0.007 -4.183 -4.863 472 HE3 MET 53 HE3 MET 53 -0.853 -5.325 -5.894 473 H ASN 54 H ASN 54 0.834 -9.491 -9.596 474 HA ASN 54 HA ASN 54 -1.345 -11.407 -9.615 475 HB2 ASN 54 HB2 ASN 54 0.873 -11.878 -10.659 476 HB3 ASN 54 HB3 ASN 54 1.644 -11.789 -9.085 477 HD21 ASN 54 HD21 ASN 54 -0.391 -13.688 -11.188 478 HD22 ASN 54 HD22 ASN 54 -0.286 -15.153 -10.282 479 H GLU 55 H GLU 55 -1.470 -13.110 -7.796 480 HA GLU 55 HA GLU 55 -2.276 -11.883 -5.421 481 HB2 GLU 55 HB2 GLU 55 -3.194 -14.048 -6.113 482 HB3 GLU 55 HB3 GLU 55 -1.621 -14.816 -5.902 483 HG2 GLU 55 HG2 GLU 55 -1.701 -14.385 -3.499 484 HG3 GLU 55 HG3 GLU 55 -3.231 -13.533 -3.686 485 H GLU 56 H GLU 56 0.827 -13.408 -6.198 486 HA GLU 56 HA GLU 56 2.084 -13.490 -3.686 487 HB2 GLU 56 HB2 GLU 56 3.368 -12.854 -6.380 488 HB3 GLU 56 HB3 GLU 56 4.211 -13.462 -4.954 489 HG2 GLU 56 HG2 GLU 56 3.025 -15.575 -5.101 490 HG3 GLU 56 HG3 GLU 56 2.033 -14.972 -6.428 491 H GLU 57 H GLU 57 2.110 -10.851 -6.099 492 HA GLU 57 HA GLU 57 3.457 -8.879 -4.561 493 HB2 GLU 57 HB2 GLU 57 1.490 -8.595 -6.865 494 HB3 GLU 57 HB3 GLU 57 2.464 -7.273 -6.227 495 HG2 GLU 57 HG2 GLU 57 3.578 -9.800 -7.490 496 HG3 GLU 57 HG3 GLU 57 3.363 -8.261 -8.325 497 H LEU 58 H LEU 58 0.001 -9.608 -4.977 498 HA LEU 58 HA LEU 58 -1.123 -7.606 -3.350 499 HB2 LEU 58 HB2 LEU 58 -2.225 -10.422 -3.698 500 HB3 LEU 58 HB3 LEU 58 -3.121 -9.003 -3.185 501 HG LEU 58 HG LEU 58 -2.084 -9.653 -5.956 502 HD11 LEU 58 HD11 LEU 58 -4.419 -9.407 -6.630 503 HD12 LEU 58 HD12 LEU 58 -4.878 -9.030 -4.966 504 HD13 LEU 58 HD13 LEU 58 -4.239 -10.626 -5.369 505 HD21 LEU 58 HD21 LEU 58 -1.524 -7.324 -5.631 506 HD22 LEU 58 HD22 LEU 58 -3.152 -6.972 -5.052 507 HD23 LEU 58 HD23 LEU 58 -2.895 -7.456 -6.730 508 H GLU 59 H GLU 59 0.406 -10.652 -2.418 509 HA GLU 59 HA GLU 59 -0.394 -10.560 0.357 510 HB2 GLU 59 HB2 GLU 59 1.731 -12.191 -1.087 511 HB3 GLU 59 HB3 GLU 59 1.339 -12.389 0.618 512 HG2 GLU 59 HG2 GLU 59 -0.654 -12.780 -1.642 513 HG3 GLU 59 HG3 GLU 59 0.291 -14.078 -0.912 514 H GLU 60 H GLU 60 2.446 -9.482 -1.483 515 HA GLU 60 HA GLU 60 3.905 -8.423 0.724 516 HB2 GLU 60 HB2 GLU 60 4.875 -8.739 -1.557 517 HB3 GLU 60 HB3 GLU 60 3.833 -7.463 -2.169 518 HG2 GLU 60 HG2 GLU 60 6.033 -6.565 -1.872 519 HG3 GLU 60 HG3 GLU 60 4.980 -5.841 -0.664 520 H TYR 61 H TYR 61 1.270 -7.176 -1.300 521 HA TYR 61 HA TYR 61 1.128 -4.567 -0.162 522 HB2 TYR 61 HB2 TYR 61 0.143 -5.178 -2.399 523 HB3 TYR 61 HB3 TYR 61 -1.118 -6.085 -1.564 524 HD1 TYR 61 HD2 TYR 61 0.360 -2.692 -1.947 525 HD2 TYR 61 HD1 TYR 61 -3.059 -4.933 -0.689 526 HE1 TYR 61 HE2 TYR 61 -0.873 -0.616 -1.604 527 HE2 TYR 61 HE1 TYR 61 -4.301 -2.845 -0.335 528 HH TYR 61 HH TYR 61 -3.580 -0.345 0.159 529 H ASP 62 H ASP 62 -0.408 -7.648 0.668 530 HA ASP 62 HA ASP 62 -2.141 -6.798 2.716 531 HB2 ASP 62 HB2 ASP 62 -2.177 -9.081 1.758 532 HB3 ASP 62 HB3 ASP 62 -0.584 -9.411 2.430 533 H SER 63 H SER 63 1.289 -7.775 2.796 534 HA SER 63 HA SER 63 1.887 -7.320 5.497 535 HB2 SER 63 HB2 SER 63 3.710 -6.930 3.087 536 HB3 SER 63 HB3 SER 63 4.252 -7.102 4.754 537 HG SER 63 HG SER 63 3.939 -9.021 3.081 538 H LEU 64 H LEU 64 1.556 -4.972 2.856 539 HA LEU 64 HA LEU 64 2.568 -2.697 4.290 540 HB2 LEU 64 HB2 LEU 64 2.510 -2.873 1.792 541 HB3 LEU 64 HB3 LEU 64 0.760 -2.788 1.845 542 HG LEU 64 HG LEU 64 0.914 -0.475 2.778 543 HD11 LEU 64 HD11 LEU 64 3.905 -0.754 2.345 544 HD12 LEU 64 HD12 LEU 64 3.081 -0.606 3.901 545 HD13 LEU 64 HD13 LEU 64 3.057 0.739 2.764 546 HD21 LEU 64 HD21 LEU 64 2.401 -0.840 0.149 547 HD22 LEU 64 HD22 LEU 64 1.623 0.649 0.698 548 HD23 LEU 64 HD23 LEU 64 0.648 -0.777 0.353 549 H LEU 65 H LEU 65 -0.642 -4.140 3.865 550 HA LEU 65 HA LEU 65 -2.175 -2.052 5.070 551 HB2 LEU 65 HB2 LEU 65 -2.804 -5.012 4.776 552 HB3 LEU 65 HB3 LEU 65 -3.969 -3.788 5.273 553 HG LEU 65 HG LEU 65 -2.612 -3.974 2.552 554 HD11 LEU 65 HD11 LEU 65 -4.340 -5.668 2.874 555 HD12 LEU 65 HD12 LEU 65 -4.852 -4.461 1.698 556 HD13 LEU 65 HD13 LEU 65 -5.505 -4.424 3.339 557 HD21 LEU 65 HD21 LEU 65 -4.617 -1.918 3.545 558 HD22 LEU 65 HD22 LEU 65 -4.064 -2.094 1.878 559 HD23 LEU 65 HD23 LEU 65 -2.924 -1.625 3.135 560 H ASN 66 H ASN 66 -0.301 -4.680 6.427 561 HA ASN 66 HA ASN 66 -1.353 -4.554 9.103 562 HB2 ASN 66 HB2 ASN 66 1.174 -5.781 7.928 563 HB3 ASN 66 HB3 ASN 66 0.845 -5.821 9.657 564 HD21 ASN 66 HD21 ASN 66 -0.032 -7.132 6.563 565 HD22 ASN 66 HD22 ASN 66 -1.098 -8.350 7.150 566 H GLU 67 H GLU 67 0.695 -2.428 7.375 567 HA GLU 67 HA GLU 67 2.296 -1.534 9.661 568 HB2 GLU 67 HB2 GLU 67 2.209 -0.299 6.875 569 HB3 GLU 67 HB3 GLU 67 3.474 -0.120 8.087 570 HG2 GLU 67 HG2 GLU 67 2.801 -2.661 6.565 571 HG3 GLU 67 HG3 GLU 67 4.148 -1.583 6.221 572 H LEU 68 H LEU 68 2.393 0.804 10.204 573 HA LEU 68 HA LEU 68 -0.279 1.856 10.691 574 HB2 LEU 68 HB2 LEU 68 2.455 2.810 11.606 575 HB3 LEU 68 HB3 LEU 68 0.949 3.600 12.060 576 HG LEU 68 HG LEU 68 1.763 0.754 12.805 577 HD11 LEU 68 HD11 LEU 68 3.012 2.448 14.058 578 HD12 LEU 68 HD12 LEU 68 1.876 1.608 15.109 579 HD13 LEU 68 HD13 LEU 68 1.508 3.239 14.537 580 HD21 LEU 68 HD21 LEU 68 -0.297 0.735 14.190 581 HD22 LEU 68 HD22 LEU 68 -0.648 0.862 12.468 582 HD23 LEU 68 HD23 LEU 68 -0.764 2.292 13.497 583 H ASP 69 H ASP 69 -1.114 3.794 10.035 584 HA ASP 69 HA ASP 69 -0.935 4.767 7.536 585 HB2 ASP 69 HB2 ASP 69 -1.631 6.218 10.107 586 HB3 ASP 69 HB3 ASP 69 -1.788 7.024 8.547 587 H TRP 70 H TRP 70 0.649 6.584 10.209 588 HA TRP 70 HA TRP 70 1.873 8.466 8.484 589 HB2 TRP 70 HB2 TRP 70 2.341 7.776 11.398 590 HB3 TRP 70 HB3 TRP 70 3.284 9.016 10.578 591 HD1 TRP 70 HD1 TRP 70 -0.065 8.502 12.244 592 HE1 TRP 70 HE1 TRP 70 -1.405 10.698 12.127 593 HE3 TRP 70 HE3 TRP 70 2.842 11.075 8.898 594 HZ2 TRP 70 HZ2 TRP 70 -1.264 13.171 10.797 595 HZ3 TRP 70 HZ3 TRP 70 2.158 13.348 8.239 596 HH2 TRP 70 HH2 TRP 70 0.142 14.373 9.172 597 H ASP 71 H ASP 71 3.073 5.383 9.813 598 HA ASP 71 HA ASP 71 5.808 5.726 9.103 599 HB2 ASP 71 HB2 ASP 71 4.124 3.216 9.520 600 HB3 ASP 71 HB3 ASP 71 5.871 3.181 9.263 601 H ILE 72 H ILE 72 3.129 4.072 7.386 602 HA ILE 72 HA ILE 72 4.354 3.413 4.959 603 HB ILE 72 HB ILE 72 1.482 4.330 5.463 604 HG12 ILE 72 HG12 ILE 72 2.586 1.492 5.269 605 HG13 ILE 72 HG13 ILE 72 2.192 2.312 6.775 606 HG21 ILE 72 HG21 ILE 72 2.560 2.847 3.035 607 HG22 ILE 72 HG22 ILE 72 1.964 4.506 3.062 608 HG23 ILE 72 HG23 ILE 72 0.854 3.170 3.363 609 HD11 ILE 72 HD11 ILE 72 0.239 1.567 4.596 610 HD12 ILE 72 HD12 ILE 72 -0.169 2.410 6.094 611 HD13 ILE 72 HD13 ILE 72 0.450 0.759 6.148 612 H TYR 73 H TYR 73 2.795 6.448 5.950 613 HA TYR 73 HA TYR 73 2.934 7.821 3.481 614 HB2 TYR 73 HB2 TYR 73 1.371 8.400 5.327 615 HB3 TYR 73 HB3 TYR 73 2.724 8.941 6.311 616 HD1 TYR 73 HD2 TYR 73 1.104 9.610 2.973 617 HD2 TYR 73 HD1 TYR 73 3.266 11.251 6.282 618 HE1 TYR 73 HE2 TYR 73 0.855 11.864 2.022 619 HE2 TYR 73 HE1 TYR 73 3.016 13.503 5.331 620 HH TYR 73 HH TYR 73 0.858 14.221 2.822 621 H TYR 74 H TYR 74 5.157 7.721 6.279 622 HA TYR 74 HA TYR 74 6.915 9.785 5.339 623 HB2 TYR 74 HB2 TYR 74 7.294 7.664 7.485 624 HB3 TYR 74 HB3 TYR 74 8.499 8.895 7.127 625 HD1 TYR 74 HD1 TYR 74 6.678 11.287 6.693 626 HD2 TYR 74 HD2 TYR 74 6.654 8.257 9.709 627 HE1 TYR 74 HE1 TYR 74 5.593 12.839 8.252 628 HE2 TYR 74 HE2 TYR 74 5.565 9.807 11.260 629 HH TYR 74 HH TYR 74 4.222 12.791 10.239 630 H TRP 75 H TRP 75 7.013 6.205 5.144 631 HA TRP 75 HA TRP 75 9.557 6.034 3.873 632 HB2 TRP 75 HB2 TRP 75 7.239 4.078 3.631 633 HB3 TRP 75 HB3 TRP 75 8.917 3.745 3.227 634 HD1 TRP 75 HD1 TRP 75 10.179 5.036 5.969 635 HE1 TRP 75 HE1 TRP 75 9.933 3.701 8.144 636 HE3 TRP 75 HE3 TRP 75 6.279 2.009 4.630 637 HZ2 TRP 75 HZ2 TRP 75 8.312 1.636 9.168 638 HZ3 TRP 75 HZ3 TRP 75 5.444 0.370 6.265 639 HH2 TRP 75 HH2 TRP 75 6.439 0.187 8.491 640 H ALA 76 H ALA 76 6.284 6.455 2.600 641 HA ALA 76 HA ALA 76 6.885 6.276 -0.184 642 HB1 ALA 76 HB1 ALA 76 4.621 5.983 0.729 643 HB2 ALA 76 HB2 ALA 76 4.653 7.242 -0.507 644 HB3 ALA 76 HB3 ALA 76 4.585 7.682 1.203 645 H THR 77 H THR 77 6.703 9.039 2.067 646 HA THR 77 HA THR 77 7.348 11.027 0.025 647 HB THR 77 HB THR 77 7.287 12.689 1.880 648 HG1 THR 77 HG1 THR 77 6.345 10.798 3.714 649 HG21 THR 77 HG21 THR 77 4.883 10.822 1.903 650 HG22 THR 77 HG22 THR 77 5.158 12.138 0.756 651 HG23 THR 77 HG23 THR 77 4.896 12.495 2.464 652 H LYS 78 H LYS 78 9.194 8.831 1.657 653 HA LYS 78 HA LYS 78 11.379 8.442 1.925 654 HB2 LYS 78 HB2 LYS 78 11.516 9.603 -0.339 655 HB3 LYS 78 HB3 LYS 78 11.950 11.080 0.512 656 HG2 LYS 78 HG2 LYS 78 13.976 9.958 1.396 657 HG3 LYS 78 HG3 LYS 78 13.532 8.491 0.519 658 HD2 LYS 78 HD2 LYS 78 13.740 9.697 -1.622 659 HD3 LYS 78 HD3 LYS 78 14.142 11.187 -0.758 660 HE2 LYS 78 HE2 LYS 78 16.201 10.126 0.108 661 HE3 LYS 78 HE3 LYS 78 15.790 8.629 -0.734 662 HZ1 LYS 78 HZ1 LYS 78 17.400 10.001 -1.940 663 HZ2 LYS 78 HZ2 LYS 78 16.254 11.236 -2.065 664 HZ3 LYS 78 HZ3 LYS 78 15.982 9.752 -2.825 665 H ASN 79 H ASN 79 9.774 10.302 3.794 666 HA ASN 79 HA ASN 79 11.832 11.654 5.335 667 HB2 ASN 79 HB2 ASN 79 9.393 12.413 5.144 668 HB3 ASN 79 HB3 ASN 79 8.959 11.056 6.173 669 HD21 ASN 79 HD21 ASN 79 8.581 13.877 6.654 670 HD22 ASN 79 HD22 ASN 79 9.427 14.263 8.106 671 H PHE 80 H PHE 80 13.053 9.507 5.278 672 HA PHE 80 HA PHE 80 12.324 7.394 7.101 673 HB2 PHE 80 HB2 PHE 80 14.971 7.992 5.715 674 HB3 PHE 80 HB3 PHE 80 14.606 6.508 6.590 675 HD1 PHE 80 HD1 PHE 80 12.221 5.416 5.762 676 HD2 PHE 80 HD2 PHE 80 14.854 7.791 3.371 677 HE1 PHE 80 HE1 PHE 80 11.320 4.386 3.731 678 HE2 PHE 80 HE2 PHE 80 13.934 6.751 1.340 679 HZ PHE 80 HZ PHE 80 12.164 5.047 1.515 680 H LYS 81 H LYS 81 13.670 10.472 7.543 681 HA LYS 81 HA LYS 81 15.289 10.200 9.819 682 HB2 LYS 81 HB2 LYS 81 15.150 12.308 8.593 683 HB3 LYS 81 HB3 LYS 81 13.425 12.432 8.922 684 HG2 LYS 81 HG2 LYS 81 13.932 12.691 11.356 685 HG3 LYS 81 HG3 LYS 81 15.658 12.659 10.972 686 HD2 LYS 81 HD2 LYS 81 14.894 14.972 11.274 687 HD3 LYS 81 HD3 LYS 81 15.384 14.714 9.598 688 HE2 LYS 81 HE2 LYS 81 13.034 14.522 8.911 689 HE3 LYS 81 HE3 LYS 81 12.504 14.653 10.590 690 HZ1 LYS 81 HZ1 LYS 81 12.279 16.733 9.406 691 HZ2 LYS 81 HZ2 LYS 81 13.935 16.761 9.071 692 HZ3 LYS 81 HZ3 LYS 81 13.391 16.883 10.666 693 H THR 82 H THR 82 11.747 10.774 9.562 694 HA THR 82 HA THR 82 11.323 10.669 12.422 695 HB THR 82 HB THR 82 9.157 10.507 10.274 696 HG1 THR 82 HG1 THR 82 9.848 12.440 9.783 697 HG21 THR 82 HG21 THR 82 9.086 11.536 13.139 698 HG22 THR 82 HG22 THR 82 8.383 10.014 12.581 699 HG23 THR 82 HG23 THR 82 7.733 11.551 12.006 700 H SER 83 H SER 83 10.258 8.544 9.715 701 HA SER 83 HA SER 83 10.137 6.231 11.581 702 HB2 SER 83 HB2 SER 83 8.599 6.756 9.001 703 HB3 SER 83 HB3 SER 83 8.628 5.180 9.804 704 HG SER 83 HG SER 83 7.041 5.960 10.913 705 HA PRO 84 HA PRO 84 13.915 5.051 9.137 706 HB2 PRO 84 HB2 PRO 84 13.860 2.828 11.173 707 HB3 PRO 84 HB3 PRO 84 15.203 3.869 10.675 708 HG2 PRO 84 HG2 PRO 84 13.992 4.248 13.029 709 HG3 PRO 84 HG3 PRO 84 14.519 5.634 12.053 710 HD2 PRO 84 HD2 PRO 84 11.741 4.498 12.388 711 HD3 PRO 84 HD3 PRO 84 12.267 6.197 12.333 712 H LEU 85 H LEU 85 14.249 3.401 7.608 713 HA LEU 85 HA LEU 85 11.879 1.979 6.774 714 HB2 LEU 85 HB2 LEU 85 13.458 3.194 5.219 715 HB3 LEU 85 HB3 LEU 85 14.648 1.937 5.525 716 HG LEU 85 HG LEU 85 13.093 0.240 4.578 717 HD11 LEU 85 HD11 LEU 85 10.952 1.307 5.123 718 HD12 LEU 85 HD12 LEU 85 11.046 0.952 3.402 719 HD13 LEU 85 HD13 LEU 85 11.280 2.604 3.966 720 HD21 LEU 85 HD21 LEU 85 14.774 1.295 3.119 721 HD22 LEU 85 HD22 LEU 85 13.623 2.567 2.696 722 HD23 LEU 85 HD23 LEU 85 13.308 0.894 2.227 723 HA PRO 86 HA PRO 86 13.226 -1.899 8.862 724 HB2 PRO 86 HB2 PRO 86 10.688 -3.031 7.779 725 HB3 PRO 86 HB3 PRO 86 11.200 -2.836 9.461 726 HG2 PRO 86 HG2 PRO 86 9.243 -1.311 8.405 727 HG3 PRO 86 HG3 PRO 86 10.386 -0.656 9.600 728 HD2 PRO 86 HD2 PRO 86 10.441 -0.377 6.580 729 HD3 PRO 86 HD3 PRO 86 10.629 0.882 7.827 730 H ASP 87 H ASP 87 13.590 -4.148 8.201 731 HA ASP 87 HA ASP 87 15.006 -4.435 5.808 732 HB2 ASP 87 HB2 ASP 87 13.829 -6.657 7.541 733 HB3 ASP 87 HB3 ASP 87 15.113 -6.862 6.348 734 H LYS 88 H LYS 88 11.747 -5.636 6.615 735 HA LYS 88 HA LYS 88 11.108 -7.049 4.311 736 HB2 LYS 88 HB2 LYS 88 8.725 -6.699 4.929 737 HB3 LYS 88 HB3 LYS 88 9.717 -7.158 6.307 738 HG2 LYS 88 HG2 LYS 88 9.755 -4.826 7.097 739 HG3 LYS 88 HG3 LYS 88 8.827 -4.312 5.687 740 HD2 LYS 88 HD2 LYS 88 7.820 -6.254 7.817 741 HD3 LYS 88 HD3 LYS 88 7.440 -4.531 7.763 742 HE2 LYS 88 HE2 LYS 88 6.343 -4.864 5.558 743 HE3 LYS 88 HE3 LYS 88 6.684 -6.590 5.658 744 HZ1 LYS 88 HZ1 LYS 88 5.067 -5.094 7.635 745 HZ2 LYS 88 HZ2 LYS 88 5.267 -6.769 7.546 746 HZ3 LYS 88 HZ3 LYS 88 4.416 -5.956 6.336 747 H TRP 89 H TRP 89 11.250 -3.559 4.662 748 HA TRP 89 HA TRP 89 10.027 -3.163 1.998 749 HB2 TRP 89 HB2 TRP 89 10.545 -1.129 4.196 750 HB3 TRP 89 HB3 TRP 89 9.802 -0.777 2.636 751 HD1 TRP 89 HD1 TRP 89 8.722 -1.216 6.021 752 HE1 TRP 89 HE1 TRP 89 6.324 -2.109 6.192 753 HE3 TRP 89 HE3 TRP 89 8.096 -2.868 1.212 754 HZ2 TRP 89 HZ2 TRP 89 4.428 -3.375 4.533 755 HZ3 TRP 89 HZ3 TRP 89 5.968 -3.921 0.587 756 HH2 TRP 89 HH2 TRP 89 4.169 -4.166 2.217 757 H ALA 90 H ALA 90 13.026 -2.979 3.699 758 HA ALA 90 HA ALA 90 14.494 -1.122 2.205 759 HB1 ALA 90 HB1 ALA 90 16.488 -2.233 3.119 760 HB2 ALA 90 HB2 ALA 90 15.506 -3.624 3.590 761 HB3 ALA 90 HB3 ALA 90 15.238 -2.057 4.355 762 H ASN 91 H ASN 91 13.878 -4.561 1.564 763 HA ASN 91 HA ASN 91 15.260 -4.351 -1.063 764 HB2 ASN 91 HB2 ASN 91 15.521 -6.778 -1.007 765 HB3 ASN 91 HB3 ASN 91 16.183 -6.083 0.465 766 HD21 ASN 91 HD21 ASN 91 15.050 -6.407 2.442 767 HD22 ASN 91 HD22 ASN 91 13.895 -7.678 2.613 768 H SER 92 H SER 92 12.295 -3.764 -0.108 769 HA SER 92 HA SER 92 10.742 -5.638 -1.743 770 HB2 SER 92 HB2 SER 92 9.794 -4.956 0.415 771 HB3 SER 92 HB3 SER 92 9.813 -3.267 -0.068 772 HG SER 92 HG SER 92 7.899 -5.046 -0.456 773 H LYS 93 H LYS 93 10.041 -5.255 -3.763 774 HA LYS 93 HA LYS 93 10.563 -2.840 -5.199 775 HB2 LYS 93 HB2 LYS 93 10.457 -4.979 -6.378 776 HB3 LYS 93 HB3 LYS 93 8.775 -5.205 -5.903 777 HG2 LYS 93 HG2 LYS 93 8.081 -3.324 -7.276 778 HG3 LYS 93 HG3 LYS 93 9.759 -2.925 -7.647 779 HD2 LYS 93 HD2 LYS 93 9.991 -5.051 -8.889 780 HD3 LYS 93 HD3 LYS 93 8.313 -5.461 -8.500 781 HE2 LYS 93 HE2 LYS 93 8.568 -4.510 -10.795 782 HE3 LYS 93 HE3 LYS 93 7.499 -3.548 -9.775 783 HZ1 LYS 93 HZ1 LYS 93 9.044 -2.188 -11.068 784 HZ2 LYS 93 HZ2 LYS 93 10.359 -2.921 -10.304 785 HZ3 LYS 93 HZ3 LYS 93 9.281 -1.975 -9.409 786 H LEU 94 H LEU 94 7.675 -4.126 -3.546 787 HA LEU 94 HA LEU 94 5.675 -2.438 -4.508 788 HB2 LEU 94 HB2 LEU 94 5.256 -4.411 -3.059 789 HB3 LEU 94 HB3 LEU 94 5.954 -3.552 -1.695 790 HG LEU 94 HG LEU 94 4.079 -1.783 -2.071 791 HD11 LEU 94 HD11 LEU 94 2.801 -4.041 -3.630 792 HD12 LEU 94 HD12 LEU 94 3.349 -2.494 -4.288 793 HD13 LEU 94 HD13 LEU 94 2.028 -2.533 -3.124 794 HD21 LEU 94 HD21 LEU 94 3.327 -4.526 -1.051 795 HD22 LEU 94 HD22 LEU 94 2.457 -3.024 -0.727 796 HD23 LEU 94 HD23 LEU 94 4.102 -3.232 -0.133 797 H LEU 95 H LEU 95 7.843 -1.913 -1.722 798 HA LEU 95 HA LEU 95 6.923 0.555 -0.795 799 HB2 LEU 95 HB2 LEU 95 8.651 -0.740 0.385 800 HB3 LEU 95 HB3 LEU 95 9.774 -0.487 -0.944 801 HG LEU 95 HG LEU 95 9.432 2.082 -0.435 802 HD11 LEU 95 HD11 LEU 95 8.556 0.947 2.226 803 HD12 LEU 95 HD12 LEU 95 7.557 1.865 1.094 804 HD13 LEU 95 HD13 LEU 95 8.934 2.637 1.876 805 HD21 LEU 95 HD21 LEU 95 11.057 0.369 1.447 806 HD22 LEU 95 HD22 LEU 95 11.277 2.095 1.143 807 HD23 LEU 95 HD23 LEU 95 11.553 0.931 -0.153 808 H LYS 96 H LYS 96 9.365 -0.131 -3.277 809 HA LYS 96 HA LYS 96 10.005 2.563 -3.922 810 HB2 LYS 96 HB2 LYS 96 10.408 0.054 -5.603 811 HB3 LYS 96 HB3 LYS 96 11.205 1.610 -5.863 812 HG2 LYS 96 HG2 LYS 96 12.272 1.393 -3.615 813 HG3 LYS 96 HG3 LYS 96 11.530 -0.203 -3.449 814 HD2 LYS 96 HD2 LYS 96 12.789 -0.977 -5.456 815 HD3 LYS 96 HD3 LYS 96 13.542 0.619 -5.587 816 HE2 LYS 96 HE2 LYS 96 14.504 0.274 -3.278 817 HE3 LYS 96 HE3 LYS 96 13.866 -1.372 -3.311 818 HZ1 LYS 96 HZ1 LYS 96 15.233 -1.791 -5.275 819 HZ2 LYS 96 HZ2 LYS 96 16.165 -1.338 -3.938 820 HZ3 LYS 96 HZ3 LYS 96 15.865 -0.225 -5.176 821 H GLN 97 H GLN 97 7.602 0.298 -5.193 822 HA GLN 97 HA GLN 97 6.637 1.800 -7.397 823 HB2 GLN 97 HB2 GLN 97 5.189 -0.177 -5.581 824 HB3 GLN 97 HB3 GLN 97 4.493 0.484 -7.052 825 HG2 GLN 97 HG2 GLN 97 7.008 -1.204 -6.979 826 HG3 GLN 97 HG3 GLN 97 5.388 -1.844 -7.241 827 HE21 GLN 97 HE21 GLN 97 5.768 -2.608 -9.289 828 HE22 GLN 97 HE22 GLN 97 6.068 -1.587 -10.652 829 H LEU 98 H LEU 98 5.842 1.799 -3.950 830 HA LEU 98 HA LEU 98 3.638 3.598 -4.019 831 HB2 LEU 98 HB2 LEU 98 4.154 1.943 -2.189 832 HB3 LEU 98 HB3 LEU 98 5.506 2.949 -1.701 833 HG LEU 98 HG LEU 98 3.888 4.795 -1.147 834 HD11 LEU 98 HD11 LEU 98 2.051 4.209 -2.646 835 HD12 LEU 98 HD12 LEU 98 1.484 4.296 -0.980 836 HD13 LEU 98 HD13 LEU 98 1.751 2.721 -1.739 837 HD21 LEU 98 HD21 LEU 98 3.050 3.793 0.932 838 HD22 LEU 98 HD22 LEU 98 4.705 3.279 0.614 839 HD23 LEU 98 HD23 LEU 98 3.364 2.174 0.301 840 H GLN 99 H GLN 99 7.128 4.068 -3.504 841 HA GLN 99 HA GLN 99 7.067 6.888 -3.031 842 HB2 GLN 99 HB2 GLN 99 9.296 5.065 -4.024 843 HB3 GLN 99 HB3 GLN 99 9.534 6.768 -3.633 844 HG2 GLN 99 HG2 GLN 99 8.863 6.334 -1.299 845 HG3 GLN 99 HG3 GLN 99 8.603 4.632 -1.687 846 HE21 GLN 99 HE21 GLN 99 10.125 4.077 -0.065 847 HE22 GLN 99 HE22 GLN 99 11.822 4.236 -0.325 848 H GLU 100 H GLU 100 7.676 4.973 -5.985 849 HA GLU 100 HA GLU 100 7.910 7.131 -7.819 850 HB2 GLU 100 HB2 GLU 100 7.164 4.219 -8.276 851 HB3 GLU 100 HB3 GLU 100 7.482 5.367 -9.578 852 HG2 GLU 100 HG2 GLU 100 9.776 5.649 -8.800 853 HG3 GLU 100 HG3 GLU 100 9.483 4.570 -7.441 854 H PHE 101 H PHE 101 5.141 5.490 -6.486 855 HA PHE 101 HA PHE 101 3.180 6.681 -8.210 856 HB2 PHE 101 HB2 PHE 101 2.620 4.655 -6.953 857 HB3 PHE 101 HB3 PHE 101 2.911 5.474 -5.421 858 HD1 PHE 101 HD2 PHE 101 0.789 5.841 -8.514 859 HD2 PHE 101 HD1 PHE 101 1.029 6.313 -4.267 860 HE1 PHE 101 HE2 PHE 101 -1.555 6.576 -8.455 861 HE2 PHE 101 HE1 PHE 101 -1.317 7.047 -4.227 862 HZ PHE 101 HZ PHE 101 -2.609 7.181 -6.317 863 H SER 102 H SER 102 4.478 7.487 -4.981 864 HA SER 102 HA SER 102 2.821 9.624 -4.297 865 HB2 SER 102 HB2 SER 102 5.714 9.139 -3.500 866 HB3 SER 102 HB3 SER 102 4.666 10.336 -2.737 867 HG SER 102 HG SER 102 4.770 7.640 -2.392 868 H GLU 103 H GLU 103 5.821 9.710 -6.212 869 HA GLU 103 HA GLU 103 6.027 12.552 -6.398 870 HB2 GLU 103 HB2 GLU 103 7.657 12.132 -8.224 871 HB3 GLU 103 HB3 GLU 103 7.976 11.137 -6.808 872 HG2 GLU 103 HG2 GLU 103 6.920 9.206 -7.932 873 HG3 GLU 103 HG3 GLU 103 6.619 10.202 -9.353 874 H ASN 104 H ASN 104 4.257 10.156 -8.310 875 HA ASN 104 HA ASN 104 3.431 12.117 -10.318 876 HB2 ASN 104 HB2 ASN 104 2.963 9.130 -10.043 877 HB3 ASN 104 HB3 ASN 104 2.176 10.099 -11.289 878 HD21 ASN 104 HD21 ASN 104 5.250 8.867 -10.157 879 HD22 ASN 104 HD22 ASN 104 6.104 9.102 -11.633 880 H LYS 105 H LYS 105 1.492 9.711 -8.586 881 HA LYS 105 HA LYS 105 -0.707 9.586 -8.100 882 HB2 LYS 105 HB2 LYS 105 0.099 12.090 -6.606 883 HB3 LYS 105 HB3 LYS 105 -1.464 11.317 -6.378 884 HG2 LYS 105 HG2 LYS 105 -0.205 9.213 -5.733 885 HG3 LYS 105 HG3 LYS 105 1.269 10.174 -5.742 886 HD2 LYS 105 HD2 LYS 105 -1.123 10.931 -4.020 887 HD3 LYS 105 HD3 LYS 105 0.078 9.765 -3.473 888 HE2 LYS 105 HE2 LYS 105 0.643 11.893 -2.520 889 HE3 LYS 105 HE3 LYS 105 1.840 11.548 -3.760 890 HZ1 LYS 105 HZ1 LYS 105 -0.464 13.406 -3.999 891 HZ2 LYS 105 HZ2 LYS 105 0.604 13.034 -5.251 892 HZ3 LYS 105 HZ3 LYS 105 1.169 13.827 -3.875 893 H GLU 106 H GLU 106 -0.693 13.166 -8.351 894 HA GLU 106 HA GLU 106 -3.139 13.067 -9.989 895 HB2 GLU 106 HB2 GLU 106 -1.838 15.556 -8.826 896 HB3 GLU 106 HB3 GLU 106 -3.503 15.343 -9.342 897 HG2 GLU 106 HG2 GLU 106 -3.956 15.088 -7.143 898 HG3 GLU 106 HG3 GLU 106 -3.334 13.456 -7.328 899 H LYS 107 H LYS 107 0.084 13.151 -10.599 900 HA LYS 107 HA LYS 107 -0.147 14.639 -13.145 901 HB2 LYS 107 HB2 LYS 107 2.340 14.311 -11.405 902 HB3 LYS 107 HB3 LYS 107 2.290 15.119 -12.969 903 HG2 LYS 107 HG2 LYS 107 0.797 16.849 -12.027 904 HG3 LYS 107 HG3 LYS 107 0.845 16.034 -10.461 905 HD2 LYS 107 HD2 LYS 107 3.203 17.313 -11.912 906 HD3 LYS 107 HD3 LYS 107 2.386 17.954 -10.485 907 HE2 LYS 107 HE2 LYS 107 3.997 15.375 -10.618 908 HE3 LYS 107 HE3 LYS 107 4.512 16.886 -9.870 909 HZ1 LYS 107 HZ1 LYS 107 2.801 16.666 -8.231 910 HZ2 LYS 107 HZ2 LYS 107 3.687 15.227 -8.271 911 HZ3 LYS 107 HZ3 LYS 107 2.157 15.302 -8.991 912 H GLU 108 H GLU 108 -0.669 12.781 -14.374 913 HA GLU 108 HA GLU 108 1.142 10.504 -14.498 914 HB2 GLU 108 HB2 GLU 108 -0.319 9.757 -16.381 915 HB3 GLU 108 HB3 GLU 108 -1.229 10.117 -14.916 916 HG2 GLU 108 HG2 GLU 108 -1.877 12.305 -15.846 917 HG3 GLU 108 HG3 GLU 108 -0.964 11.953 -17.317 918 H ILE 109 H ILE 109 1.676 9.905 -17.018 919 HA ILE 109 HA ILE 109 3.005 10.218 -18.827 920 HB ILE 109 HB ILE 109 2.021 13.109 -18.708 921 HG12 ILE 109 HG12 ILE 109 0.942 10.756 -20.337 922 HG13 ILE 109 HG13 ILE 109 0.181 11.422 -18.896 923 HG21 ILE 109 HG21 ILE 109 4.047 12.956 -20.089 924 HG22 ILE 109 HG22 ILE 109 2.641 13.265 -21.105 925 HG23 ILE 109 HG23 ILE 109 3.335 11.644 -21.034 926 HD11 ILE 109 HD11 ILE 109 -0.176 13.544 -20.086 927 HD12 ILE 109 HD12 ILE 109 -0.942 12.173 -20.887 928 HD13 ILE 109 HD13 ILE 109 0.554 12.840 -21.533 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -24.869 23.273 -1.535 2 H2 MET 1 H2 MET 1 -25.474 22.512 -2.915 3 H3 MET 1 H3 MET 1 -24.883 24.091 -3.015 4 HA MET 1 HA MET 1 -23.351 22.466 -3.938 5 HB2 MET 1 HB2 MET 1 -21.329 23.282 -2.764 6 HB3 MET 1 HB3 MET 1 -22.473 24.585 -3.051 7 HG2 MET 1 HG2 MET 1 -23.157 24.587 -0.739 8 HG3 MET 1 HG3 MET 1 -22.220 23.131 -0.408 9 HE1 MET 1 HE1 MET 1 -18.525 24.431 -0.606 10 HE2 MET 1 HE2 MET 1 -19.452 23.605 -1.859 11 HE3 MET 1 HE3 MET 1 -19.565 23.070 -0.180 12 H GLY 2 H GLY 2 -21.454 21.024 -3.229 13 HA2 GLY 2 HA2 GLY 2 -20.514 19.331 -1.898 14 HA3 GLY 2 HA3 GLY 2 -21.933 19.348 -0.864 15 H HIS 3 H HIS 3 -21.008 16.960 -1.407 16 HA HIS 3 HA HIS 3 -23.100 15.643 -2.891 17 HB2 HIS 3 HB2 HIS 3 -21.636 14.413 -4.472 18 HB3 HIS 3 HB3 HIS 3 -21.563 16.146 -4.759 19 HD1 HIS 3 HD1 HIS 3 -19.472 13.232 -3.857 20 HD2 HIS 3 HD2 HIS 3 -19.064 17.369 -4.014 21 HE1 HIS 3 HE1 HIS 3 -17.007 13.670 -3.699 22 HE2 HIS 3 HE2 HIS 3 -16.782 16.174 -3.754 23 H HIS 4 H HIS 4 -23.620 13.829 -1.764 24 HA HIS 4 HA HIS 4 -21.619 12.177 -0.453 25 HB2 HIS 4 HB2 HIS 4 -22.053 14.056 1.193 26 HB3 HIS 4 HB3 HIS 4 -23.731 13.545 1.283 27 HD1 HIS 4 HD1 HIS 4 -24.242 11.395 2.642 28 HD2 HIS 4 HD2 HIS 4 -20.217 12.432 2.607 29 HE1 HIS 4 HE1 HIS 4 -23.169 9.990 4.426 30 HE2 HIS 4 HE2 HIS 4 -20.765 10.728 4.473 31 H HIS 5 H HIS 5 -22.543 10.742 -2.058 32 HA HIS 5 HA HIS 5 -24.814 9.183 -1.008 33 HB2 HIS 5 HB2 HIS 5 -24.587 10.157 -3.889 34 HB3 HIS 5 HB3 HIS 5 -25.622 8.816 -3.422 35 HD1 HIS 5 HD1 HIS 5 -25.968 12.185 -4.229 36 HD2 HIS 5 HD2 HIS 5 -27.405 9.878 -1.086 37 HE1 HIS 5 HE1 HIS 5 -27.995 13.402 -3.382 38 HE2 HIS 5 HE2 HIS 5 -28.902 11.942 -1.544 39 H HIS 6 H HIS 6 -24.231 7.098 -0.814 40 HA HIS 6 HA HIS 6 -22.886 5.699 -2.967 41 HB2 HIS 6 HB2 HIS 6 -21.105 4.698 -1.525 42 HB3 HIS 6 HB3 HIS 6 -20.906 6.429 -1.750 43 HD1 HIS 6 HD1 HIS 6 -21.286 7.945 0.333 44 HD2 HIS 6 HD2 HIS 6 -21.521 3.877 1.135 45 HE1 HIS 6 HE1 HIS 6 -21.087 7.745 2.824 46 HE2 HIS 6 HE2 HIS 6 -21.354 5.294 3.297 47 H HIS 7 H HIS 7 -23.770 3.736 -3.216 48 HA HIS 7 HA HIS 7 -24.971 2.294 -0.921 49 HB2 HIS 7 HB2 HIS 7 -26.318 2.636 -3.644 50 HB3 HIS 7 HB3 HIS 7 -26.925 1.649 -2.319 51 HD1 HIS 7 HD1 HIS 7 -27.496 4.805 -3.808 52 HD2 HIS 7 HD2 HIS 7 -27.286 3.484 0.125 53 HE1 HIS 7 HE1 HIS 7 -28.719 6.526 -2.458 54 HE2 HIS 7 HE2 HIS 7 -28.383 5.813 -0.072 55 H HIS 8 H HIS 8 -24.111 0.303 -0.800 56 HA HIS 8 HA HIS 8 -23.695 -1.337 -3.182 57 HB2 HIS 8 HB2 HIS 8 -21.512 -0.112 -2.859 58 HB3 HIS 8 HB3 HIS 8 -21.372 -0.832 -1.258 59 HD1 HIS 8 HD1 HIS 8 -21.032 -1.604 -4.898 60 HD2 HIS 8 HD2 HIS 8 -20.611 -3.580 -1.264 61 HE1 HIS 8 HE1 HIS 8 -19.886 -3.769 -5.441 62 HE2 HIS 8 HE2 HIS 8 -19.588 -4.924 -3.224 63 H SER 9 H SER 9 -24.932 -3.028 -2.621 64 HA SER 9 HA SER 9 -25.193 -4.040 0.082 65 HB2 SER 9 HB2 SER 9 -26.724 -5.717 -0.971 66 HB3 SER 9 HB3 SER 9 -27.146 -4.064 -1.416 67 HG SER 9 HG SER 9 -25.949 -6.085 -2.980 68 H HIS 10 H HIS 10 -24.515 -6.084 0.837 69 HA HIS 10 HA HIS 10 -22.893 -7.847 -0.811 70 HB2 HIS 10 HB2 HIS 10 -20.896 -7.790 0.644 71 HB3 HIS 10 HB3 HIS 10 -21.202 -6.200 -0.043 72 HD1 HIS 10 HD1 HIS 10 -20.993 -8.026 3.172 73 HD2 HIS 10 HD2 HIS 10 -22.064 -4.231 1.860 74 HE1 HIS 10 HE1 HIS 10 -21.069 -6.606 5.234 75 HE2 HIS 10 HE2 HIS 10 -21.930 -4.382 4.441 76 H MET 11 H MET 11 -23.164 -9.935 -0.200 77 HA MET 11 HA MET 11 -24.752 -10.556 2.181 78 HB2 MET 11 HB2 MET 11 -24.944 -12.818 1.223 79 HB3 MET 11 HB3 MET 11 -25.387 -11.595 0.042 80 HG2 MET 11 HG2 MET 11 -23.057 -11.845 -0.929 81 HG3 MET 11 HG3 MET 11 -22.855 -13.239 0.132 82 HE1 MET 11 HE1 MET 11 -25.780 -12.976 -3.441 83 HE2 MET 11 HE2 MET 11 -24.544 -11.779 -3.058 84 HE3 MET 11 HE3 MET 11 -25.965 -11.938 -2.027 85 H ILE 12 H ILE 12 -23.939 -11.433 4.025 86 HA ILE 12 HA ILE 12 -21.059 -11.697 4.335 87 HB ILE 12 HB ILE 12 -23.232 -12.122 6.442 88 HG12 ILE 12 HG12 ILE 12 -21.618 -9.591 5.835 89 HG13 ILE 12 HG13 ILE 12 -23.323 -9.822 5.462 90 HG21 ILE 12 HG21 ILE 12 -20.242 -11.618 6.781 91 HG22 ILE 12 HG22 ILE 12 -21.075 -13.145 7.075 92 HG23 ILE 12 HG23 ILE 12 -21.416 -11.749 8.096 93 HD11 ILE 12 HD11 ILE 12 -23.022 -8.446 7.442 94 HD12 ILE 12 HD12 ILE 12 -22.120 -9.738 8.233 95 HD13 ILE 12 HD13 ILE 12 -23.830 -9.960 7.855 96 H LYS 13 H LYS 13 -20.904 -13.482 2.836 97 HA LYS 13 HA LYS 13 -21.049 -16.101 4.188 98 HB2 LYS 13 HB2 LYS 13 -21.884 -15.506 1.306 99 HB3 LYS 13 HB3 LYS 13 -21.535 -17.131 1.893 100 HG2 LYS 13 HG2 LYS 13 -23.378 -16.943 3.527 101 HG3 LYS 13 HG3 LYS 13 -23.727 -15.309 2.946 102 HD2 LYS 13 HD2 LYS 13 -24.303 -16.204 0.725 103 HD3 LYS 13 HD3 LYS 13 -23.890 -17.839 1.254 104 HE2 LYS 13 HE2 LYS 13 -25.729 -17.776 2.897 105 HE3 LYS 13 HE3 LYS 13 -26.126 -16.127 2.404 106 HZ1 LYS 13 HZ1 LYS 13 -27.575 -17.769 1.371 107 HZ2 LYS 13 HZ2 LYS 13 -26.245 -18.520 0.647 108 HZ3 LYS 13 HZ3 LYS 13 -26.670 -16.943 0.206 109 H ARG 14 H ARG 14 -18.885 -16.289 4.619 110 HA ARG 14 HA ARG 14 -16.813 -15.503 2.742 111 HB2 ARG 14 HB2 ARG 14 -16.578 -15.226 5.217 112 HB3 ARG 14 HB3 ARG 14 -16.618 -16.974 5.408 113 HG2 ARG 14 HG2 ARG 14 -14.505 -17.140 4.093 114 HG3 ARG 14 HG3 ARG 14 -14.459 -15.378 3.978 115 HD2 ARG 14 HD2 ARG 14 -12.983 -16.239 5.777 116 HD3 ARG 14 HD3 ARG 14 -14.255 -15.195 6.416 117 HE ARG 14 HE ARG 14 -15.065 -17.917 6.479 118 HH11 ARG 14 HH11 ARG 14 -13.043 -15.706 8.219 119 HH12 ARG 14 HH12 ARG 14 -13.120 -16.632 9.675 120 HH21 ARG 14 HH21 ARG 14 -15.156 -19.057 8.339 121 HH22 ARG 14 HH22 ARG 14 -14.311 -18.510 9.743 122 H THR 15 H THR 15 -17.647 -16.918 1.014 123 HA THR 15 HA THR 15 -17.234 -19.807 1.250 124 HB THR 15 HB THR 15 -18.125 -18.201 -1.198 125 HG1 THR 15 HG1 THR 15 -19.962 -18.032 -0.177 126 HG21 THR 15 HG21 THR 15 -19.050 -20.351 -1.999 127 HG22 THR 15 HG22 THR 15 -18.430 -21.166 -0.562 128 HG23 THR 15 HG23 THR 15 -17.306 -20.490 -1.743 129 H ASN 16 H ASN 16 -14.970 -19.834 1.585 130 HA ASN 16 HA ASN 16 -12.741 -19.814 1.169 131 HB2 ASN 16 HB2 ASN 16 -13.612 -19.947 -1.753 132 HB3 ASN 16 HB3 ASN 16 -11.982 -20.270 -1.174 133 HD21 ASN 16 HD21 ASN 16 -12.759 -21.773 1.182 134 HD22 ASN 16 HD22 ASN 16 -13.383 -23.275 0.614 135 H GLU 17 H GLU 17 -11.138 -18.581 -0.856 136 HA GLU 17 HA GLU 17 -11.791 -15.691 -0.600 137 HB2 GLU 17 HB2 GLU 17 -9.739 -16.313 0.670 138 HB3 GLU 17 HB3 GLU 17 -9.035 -16.999 -0.789 139 HG2 GLU 17 HG2 GLU 17 -9.005 -14.761 -1.837 140 HG3 GLU 17 HG3 GLU 17 -9.734 -14.072 -0.387 141 HA PRO 18 HA PRO 18 -11.960 -16.127 -5.260 142 HB2 PRO 18 HB2 PRO 18 -13.542 -13.609 -4.791 143 HB3 PRO 18 HB3 PRO 18 -13.900 -14.986 -5.844 144 HG2 PRO 18 HG2 PRO 18 -15.244 -14.639 -3.557 145 HG3 PRO 18 HG3 PRO 18 -14.784 -16.266 -4.105 146 HD2 PRO 18 HD2 PRO 18 -13.492 -14.542 -1.986 147 HD3 PRO 18 HD3 PRO 18 -13.840 -16.288 -1.963 148 H LEU 19 H LEU 19 -10.744 -14.827 -6.720 149 HA LEU 19 HA LEU 19 -8.542 -13.528 -5.445 150 HB2 LEU 19 HB2 LEU 19 -8.847 -14.930 -7.796 151 HB3 LEU 19 HB3 LEU 19 -8.724 -13.298 -8.418 152 HG LEU 19 HG LEU 19 -6.553 -14.558 -8.357 153 HD11 LEU 19 HD11 LEU 19 -6.499 -12.123 -8.404 154 HD12 LEU 19 HD12 LEU 19 -5.165 -12.757 -7.442 155 HD13 LEU 19 HD13 LEU 19 -6.579 -12.060 -6.640 156 HD21 LEU 19 HD21 LEU 19 -6.789 -14.333 -5.335 157 HD22 LEU 19 HD22 LEU 19 -5.413 -14.975 -6.238 158 HD23 LEU 19 HD23 LEU 19 -6.957 -15.821 -6.271 159 H ASP 20 H ASP 20 -11.204 -12.278 -7.485 160 HA ASP 20 HA ASP 20 -10.376 -9.536 -7.239 161 HB2 ASP 20 HB2 ASP 20 -12.984 -10.779 -8.147 162 HB3 ASP 20 HB3 ASP 20 -12.724 -9.037 -8.100 163 H LYS 21 H LYS 21 -12.484 -11.607 -5.214 164 HA LYS 21 HA LYS 21 -13.298 -9.511 -3.452 165 HB2 LYS 21 HB2 LYS 21 -13.369 -12.480 -3.339 166 HB3 LYS 21 HB3 LYS 21 -13.214 -11.720 -1.764 167 HG2 LYS 21 HG2 LYS 21 -15.231 -10.291 -2.422 168 HG3 LYS 21 HG3 LYS 21 -15.459 -11.405 -3.768 169 HD2 LYS 21 HD2 LYS 21 -15.829 -13.266 -2.274 170 HD3 LYS 21 HD3 LYS 21 -15.293 -12.336 -0.872 171 HE2 LYS 21 HE2 LYS 21 -17.741 -12.579 -0.899 172 HE3 LYS 21 HE3 LYS 21 -17.269 -10.888 -1.059 173 HZ1 LYS 21 HZ1 LYS 21 -19.048 -11.430 -2.566 174 HZ2 LYS 21 HZ2 LYS 21 -18.140 -12.673 -3.260 175 HZ3 LYS 21 HZ3 LYS 21 -17.652 -11.066 -3.446 176 H LYS 22 H LYS 22 -10.348 -11.462 -3.613 177 HA LYS 22 HA LYS 22 -9.125 -10.571 -1.201 178 HB2 LYS 22 HB2 LYS 22 -8.261 -12.487 -2.591 179 HB3 LYS 22 HB3 LYS 22 -7.769 -11.337 -3.832 180 HG2 LYS 22 HG2 LYS 22 -6.289 -10.255 -2.017 181 HG3 LYS 22 HG3 LYS 22 -6.630 -11.693 -1.048 182 HD2 LYS 22 HD2 LYS 22 -5.728 -13.062 -3.023 183 HD3 LYS 22 HD3 LYS 22 -5.171 -11.528 -3.704 184 HE2 LYS 22 HE2 LYS 22 -3.346 -12.651 -2.510 185 HE3 LYS 22 HE3 LYS 22 -3.777 -11.152 -1.688 186 HZ1 LYS 22 HZ1 LYS 22 -4.736 -13.849 -0.887 187 HZ2 LYS 22 HZ2 LYS 22 -4.982 -12.401 -0.051 188 HZ3 LYS 22 HZ3 LYS 22 -3.427 -13.051 -0.176 189 H ARG 23 H ARG 23 -8.790 -9.499 -4.576 190 HA ARG 23 HA ARG 23 -7.177 -7.267 -4.314 191 HB2 ARG 23 HB2 ARG 23 -7.635 -8.247 -6.469 192 HB3 ARG 23 HB3 ARG 23 -9.359 -7.939 -6.321 193 HG2 ARG 23 HG2 ARG 23 -9.039 -5.561 -6.636 194 HG3 ARG 23 HG3 ARG 23 -7.282 -5.735 -6.536 195 HD2 ARG 23 HD2 ARG 23 -9.006 -6.988 -8.713 196 HD3 ARG 23 HD3 ARG 23 -8.148 -5.452 -8.880 197 HE ARG 23 HE ARG 23 -6.075 -6.826 -8.379 198 HH11 ARG 23 HH11 ARG 23 -8.776 -8.256 -10.037 199 HH12 ARG 23 HH12 ARG 23 -7.760 -9.340 -10.918 200 HH21 ARG 23 HH21 ARG 23 -4.834 -8.234 -9.499 201 HH22 ARG 23 HH22 ARG 23 -5.561 -9.337 -10.612 202 H ALA 24 H ALA 24 -10.761 -7.264 -4.417 203 HA ALA 24 HA ALA 24 -11.188 -4.514 -4.036 204 HB1 ALA 24 HB1 ALA 24 -13.501 -5.114 -3.467 205 HB2 ALA 24 HB2 ALA 24 -13.022 -6.803 -3.258 206 HB3 ALA 24 HB3 ALA 24 -12.930 -6.051 -4.851 207 H ARG 25 H ARG 25 -10.844 -7.134 -1.676 208 HA ARG 25 HA ARG 25 -11.429 -5.587 0.661 209 HB2 ARG 25 HB2 ARG 25 -11.769 -7.987 0.638 210 HB3 ARG 25 HB3 ARG 25 -10.070 -8.276 0.299 211 HG2 ARG 25 HG2 ARG 25 -9.425 -7.590 2.515 212 HG3 ARG 25 HG3 ARG 25 -11.050 -6.997 2.870 213 HD2 ARG 25 HD2 ARG 25 -10.442 -9.256 3.887 214 HD3 ARG 25 HD3 ARG 25 -11.947 -9.207 2.972 215 HE ARG 25 HE ARG 25 -10.649 -10.205 1.090 216 HH11 ARG 25 HH11 ARG 25 -9.425 -10.679 4.290 217 HH12 ARG 25 HH12 ARG 25 -8.758 -12.225 3.907 218 HH21 ARG 25 HH21 ARG 25 -9.793 -12.165 0.637 219 HH22 ARG 25 HH22 ARG 25 -8.958 -13.059 1.857 220 H LEU 26 H LEU 26 -8.405 -6.314 -1.088 221 HA LEU 26 HA LEU 26 -6.598 -5.202 0.820 222 HB2 LEU 26 HB2 LEU 26 -6.302 -5.359 -2.204 223 HB3 LEU 26 HB3 LEU 26 -5.010 -4.970 -1.082 224 HG LEU 26 HG LEU 26 -6.411 -7.663 -1.344 225 HD11 LEU 26 HD11 LEU 26 -4.833 -7.195 -3.157 226 HD12 LEU 26 HD12 LEU 26 -4.267 -8.499 -2.118 227 HD13 LEU 26 HD13 LEU 26 -3.554 -6.887 -1.977 228 HD21 LEU 26 HD21 LEU 26 -5.888 -7.264 0.996 229 HD22 LEU 26 HD22 LEU 26 -4.228 -6.828 0.582 230 HD23 LEU 26 HD23 LEU 26 -4.801 -8.481 0.331 231 H ILE 27 H ILE 27 -8.164 -3.823 -2.071 232 HA ILE 27 HA ILE 27 -7.339 -1.143 -1.808 233 HB ILE 27 HB ILE 27 -9.956 -2.097 -3.056 234 HG12 ILE 27 HG12 ILE 27 -7.255 -1.829 -4.448 235 HG13 ILE 27 HG13 ILE 27 -7.960 -3.356 -3.949 236 HG21 ILE 27 HG21 ILE 27 -9.762 -0.097 -4.508 237 HG22 ILE 27 HG22 ILE 27 -8.287 0.377 -3.660 238 HG23 ILE 27 HG23 ILE 27 -9.830 0.356 -2.803 239 HD11 ILE 27 HD11 ILE 27 -9.075 -1.472 -6.021 240 HD12 ILE 27 HD12 ILE 27 -9.836 -2.978 -5.501 241 HD13 ILE 27 HD13 ILE 27 -8.269 -3.014 -6.310 242 H TYR 28 H TYR 28 -9.980 -2.900 -0.289 243 HA TYR 28 HA TYR 28 -11.395 -0.717 0.875 244 HB2 TYR 28 HB2 TYR 28 -12.483 -2.854 0.643 245 HB3 TYR 28 HB3 TYR 28 -11.223 -3.673 1.547 246 HD1 TYR 28 HD2 TYR 28 -14.012 -1.183 1.936 247 HD2 TYR 28 HD1 TYR 28 -11.464 -4.006 3.896 248 HE1 TYR 28 HE2 TYR 28 -15.348 -0.970 3.995 249 HE2 TYR 28 HE1 TYR 28 -12.795 -3.789 5.948 250 HH TYR 28 HH TYR 28 -15.828 -2.198 6.033 251 H GLN 29 H GLN 29 -8.909 -2.919 2.239 252 HA GLN 29 HA GLN 29 -8.818 -1.624 4.815 253 HB2 GLN 29 HB2 GLN 29 -6.891 -3.622 3.568 254 HB3 GLN 29 HB3 GLN 29 -6.926 -3.161 5.270 255 HG2 GLN 29 HG2 GLN 29 -9.115 -4.180 5.552 256 HG3 GLN 29 HG3 GLN 29 -9.227 -4.517 3.825 257 HE21 GLN 29 HE21 GLN 29 -7.838 -6.122 2.930 258 HE22 GLN 29 HE22 GLN 29 -7.160 -7.365 3.916 259 H SER 30 H SER 30 -7.322 -0.937 1.803 260 HA SER 30 HA SER 30 -5.131 0.651 2.917 261 HB2 SER 30 HB2 SER 30 -4.538 1.112 0.612 262 HB3 SER 30 HB3 SER 30 -4.901 -0.604 0.753 263 HG SER 30 HG SER 30 -6.054 1.239 -0.808 264 H ARG 31 H ARG 31 -8.279 1.193 1.306 265 HA ARG 31 HA ARG 31 -8.156 4.076 1.548 266 HB2 ARG 31 HB2 ARG 31 -10.239 4.143 0.471 267 HB3 ARG 31 HB3 ARG 31 -9.514 2.688 -0.198 268 HG2 ARG 31 HG2 ARG 31 -10.870 1.330 1.408 269 HG3 ARG 31 HG3 ARG 31 -11.629 2.816 1.978 270 HD2 ARG 31 HD2 ARG 31 -13.187 1.957 0.440 271 HD3 ARG 31 HD3 ARG 31 -12.326 3.179 -0.500 272 HE ARG 31 HE ARG 31 -11.018 0.770 -0.925 273 HH11 ARG 31 HH11 ARG 31 -14.079 2.176 -1.693 274 HH12 ARG 31 HH12 ARG 31 -14.403 1.036 -2.946 275 HH21 ARG 31 HH21 ARG 31 -11.480 -0.697 -2.516 276 HH22 ARG 31 HH22 ARG 31 -12.947 -0.565 -3.410 277 H LYS 32 H LYS 32 -8.909 1.502 3.690 278 HA LYS 32 HA LYS 32 -9.936 3.347 5.749 279 HB2 LYS 32 HB2 LYS 32 -9.743 0.365 5.434 280 HB3 LYS 32 HB3 LYS 32 -9.490 0.960 7.058 281 HG2 LYS 32 HG2 LYS 32 -11.765 0.294 6.855 282 HG3 LYS 32 HG3 LYS 32 -11.730 2.047 6.996 283 HD2 LYS 32 HD2 LYS 32 -11.876 0.793 4.247 284 HD3 LYS 32 HD3 LYS 32 -13.325 0.819 5.250 285 HE2 LYS 32 HE2 LYS 32 -11.736 3.218 4.283 286 HE3 LYS 32 HE3 LYS 32 -13.362 2.751 3.792 287 HZ1 LYS 32 HZ1 LYS 32 -12.524 3.694 6.483 288 HZ2 LYS 32 HZ2 LYS 32 -14.081 3.159 6.096 289 HZ3 LYS 32 HZ3 LYS 32 -13.455 4.544 5.360 290 H ARG 33 H ARG 33 -8.364 4.594 6.609 291 HA ARG 33 HA ARG 33 -5.960 3.402 7.809 292 HB2 ARG 33 HB2 ARG 33 -5.861 5.701 5.806 293 HB3 ARG 33 HB3 ARG 33 -4.593 5.462 6.997 294 HG2 ARG 33 HG2 ARG 33 -5.342 3.479 4.822 295 HG3 ARG 33 HG3 ARG 33 -4.000 4.617 4.742 296 HD2 ARG 33 HD2 ARG 33 -2.778 2.834 5.508 297 HD3 ARG 33 HD3 ARG 33 -3.402 3.314 7.084 298 HE ARG 33 HE ARG 33 -5.191 1.520 5.819 299 HH11 ARG 33 HH11 ARG 33 -2.099 1.427 7.377 300 HH12 ARG 33 HH12 ARG 33 -2.319 -0.197 7.913 301 HH21 ARG 33 HH21 ARG 33 -5.438 -0.522 6.537 302 HH22 ARG 33 HH22 ARG 33 -4.188 -1.279 7.468 303 H GLY 34 H GLY 34 -4.883 5.027 9.321 304 HA2 GLY 34 HA2 GLY 34 -6.726 6.299 11.058 305 HA3 GLY 34 HA3 GLY 34 -4.981 6.472 11.106 306 H ILE 35 H ILE 35 -4.172 7.830 9.063 307 HA ILE 35 HA ILE 35 -5.571 10.422 9.165 308 HB ILE 35 HB ILE 35 -3.495 11.377 8.198 309 HG12 ILE 35 HG12 ILE 35 -2.402 8.522 8.354 310 HG13 ILE 35 HG13 ILE 35 -2.756 9.399 6.872 311 HG21 ILE 35 HG21 ILE 35 -2.070 11.064 10.182 312 HG22 ILE 35 HG22 ILE 35 -3.022 9.661 10.665 313 HG23 ILE 35 HG23 ILE 35 -3.762 11.265 10.634 314 HD11 ILE 35 HD11 ILE 35 -0.395 9.356 7.295 315 HD12 ILE 35 HD12 ILE 35 -0.625 10.079 8.885 316 HD13 ILE 35 HD13 ILE 35 -0.989 11.011 7.431 317 H LEU 36 H LEU 36 -5.971 11.693 7.317 318 HA LEU 36 HA LEU 36 -6.947 10.338 4.994 319 HB2 LEU 36 HB2 LEU 36 -7.954 12.423 5.998 320 HB3 LEU 36 HB3 LEU 36 -6.572 13.324 5.404 321 HG LEU 36 HG LEU 36 -7.232 12.679 3.048 322 HD11 LEU 36 HD11 LEU 36 -9.745 11.595 4.352 323 HD12 LEU 36 HD12 LEU 36 -8.512 10.661 3.499 324 HD13 LEU 36 HD13 LEU 36 -9.494 11.825 2.618 325 HD21 LEU 36 HD21 LEU 36 -9.327 14.228 4.607 326 HD22 LEU 36 HD22 LEU 36 -9.088 14.280 2.857 327 HD23 LEU 36 HD23 LEU 36 -7.829 14.879 3.934 328 H GLU 37 H GLU 37 -3.908 11.794 5.801 329 HA GLU 37 HA GLU 37 -2.910 12.484 3.242 330 HB2 GLU 37 HB2 GLU 37 -1.421 11.682 5.783 331 HB3 GLU 37 HB3 GLU 37 -0.620 12.292 4.344 332 HG2 GLU 37 HG2 GLU 37 -0.783 14.103 5.887 333 HG3 GLU 37 HG3 GLU 37 -1.916 14.422 4.579 334 H THR 38 H THR 38 -2.344 9.542 5.182 335 HA THR 38 HA THR 38 -1.114 8.046 3.062 336 HB THR 38 HB THR 38 -2.322 6.946 5.636 337 HG1 THR 38 HG1 THR 38 0.366 7.244 5.653 338 HG21 THR 38 HG21 THR 38 -0.139 5.849 3.811 339 HG22 THR 38 HG22 THR 38 -1.755 5.167 4.018 340 HG23 THR 38 HG23 THR 38 -0.612 5.155 5.364 341 H ASP 39 H ASP 39 -4.448 8.390 4.246 342 HA ASP 39 HA ASP 39 -5.752 6.302 2.939 343 HB2 ASP 39 HB2 ASP 39 -6.949 7.733 4.490 344 HB3 ASP 39 HB3 ASP 39 -6.675 9.146 3.490 345 H LEU 40 H LEU 40 -5.343 9.640 1.619 346 HA LEU 40 HA LEU 40 -6.300 9.218 -0.976 347 HB2 LEU 40 HB2 LEU 40 -4.120 11.151 -0.093 348 HB3 LEU 40 HB3 LEU 40 -4.987 11.244 -1.620 349 HG LEU 40 HG LEU 40 -6.179 11.670 1.153 350 HD11 LEU 40 HD11 LEU 40 -6.485 13.999 0.453 351 HD12 LEU 40 HD12 LEU 40 -5.678 13.661 -1.080 352 HD13 LEU 40 HD13 LEU 40 -4.784 13.538 0.438 353 HD21 LEU 40 HD21 LEU 40 -7.562 11.817 -1.548 354 HD22 LEU 40 HD22 LEU 40 -8.265 12.306 -0.002 355 HD23 LEU 40 HD23 LEU 40 -7.845 10.620 -0.281 356 H LEU 41 H LEU 41 -3.095 8.660 0.354 357 HA LEU 41 HA LEU 41 -1.630 8.144 -2.024 358 HB2 LEU 41 HB2 LEU 41 -0.582 8.716 0.120 359 HB3 LEU 41 HB3 LEU 41 -1.213 7.254 0.850 360 HG LEU 41 HG LEU 41 0.268 5.903 -0.673 361 HD11 LEU 41 HD11 LEU 41 0.562 7.485 -2.504 362 HD12 LEU 41 HD12 LEU 41 2.123 6.993 -1.853 363 HD13 LEU 41 HD13 LEU 41 1.463 8.581 -1.450 364 HD21 LEU 41 HD21 LEU 41 1.712 7.883 1.124 365 HD22 LEU 41 HD22 LEU 41 2.336 6.321 0.583 366 HD23 LEU 41 HD23 LEU 41 0.930 6.385 1.641 367 H LEU 42 H LEU 42 -2.931 5.810 0.384 368 HA LEU 42 HA LEU 42 -2.221 3.503 -1.179 369 HB2 LEU 42 HB2 LEU 42 -3.693 3.824 1.446 370 HB3 LEU 42 HB3 LEU 42 -3.437 2.256 0.700 371 HG LEU 42 HG LEU 42 -1.263 4.139 1.690 372 HD11 LEU 42 HD11 LEU 42 -0.816 2.387 3.350 373 HD12 LEU 42 HD12 LEU 42 -2.177 1.438 2.743 374 HD13 LEU 42 HD13 LEU 42 -2.457 3.011 3.499 375 HD21 LEU 42 HD21 LEU 42 -0.486 2.965 -0.316 376 HD22 LEU 42 HD22 LEU 42 -0.974 1.412 0.367 377 HD23 LEU 42 HD23 LEU 42 0.331 2.338 1.115 378 H SER 43 H SER 43 -5.282 5.223 -0.644 379 HA SER 43 HA SER 43 -7.078 3.257 -1.590 380 HB2 SER 43 HB2 SER 43 -8.698 5.091 -1.929 381 HB3 SER 43 HB3 SER 43 -7.840 5.310 -0.405 382 HG SER 43 HG SER 43 -6.649 6.937 -1.307 383 H GLY 44 H GLY 44 -5.538 5.971 -3.315 384 HA2 GLY 44 HA2 GLY 44 -6.384 5.314 -5.945 385 HA3 GLY 44 HA3 GLY 44 -5.024 6.342 -5.522 386 H PHE 45 H PHE 45 -3.357 4.593 -4.190 387 HA PHE 45 HA PHE 45 -1.883 3.304 -6.193 388 HB2 PHE 45 HB2 PHE 45 -0.931 4.011 -4.021 389 HB3 PHE 45 HB3 PHE 45 -1.873 2.784 -3.186 390 HD1 PHE 45 HD1 PHE 45 0.789 3.192 -5.792 391 HD2 PHE 45 HD2 PHE 45 -0.919 0.637 -2.820 392 HE1 PHE 45 HE1 PHE 45 2.630 1.602 -6.082 393 HE2 PHE 45 HE2 PHE 45 0.943 -0.942 -3.120 394 HZ PHE 45 HZ PHE 45 2.716 -0.460 -4.752 395 H ALA 46 H ALA 46 -4.187 1.978 -3.887 396 HA ALA 46 HA ALA 46 -3.860 -0.758 -4.566 397 HB1 ALA 46 HB1 ALA 46 -4.742 0.011 -2.402 398 HB2 ALA 46 HB2 ALA 46 -5.821 -1.138 -3.189 399 HB3 ALA 46 HB3 ALA 46 -6.202 0.587 -3.206 400 H ALA 47 H ALA 47 -6.296 1.672 -5.471 401 HA ALA 47 HA ALA 47 -7.947 -0.005 -7.045 402 HB1 ALA 47 HB1 ALA 47 -8.923 2.088 -7.887 403 HB2 ALA 47 HB2 ALA 47 -7.566 3.002 -7.216 404 HB3 ALA 47 HB3 ALA 47 -8.681 2.157 -6.141 405 H LYS 48 H LYS 48 -4.992 1.711 -7.786 406 HA LYS 48 HA LYS 48 -5.283 1.539 -10.697 407 HB2 LYS 48 HB2 LYS 48 -4.431 3.557 -9.343 408 HB3 LYS 48 HB3 LYS 48 -2.946 2.647 -9.108 409 HG2 LYS 48 HG2 LYS 48 -2.620 2.612 -11.584 410 HG3 LYS 48 HG3 LYS 48 -4.089 3.587 -11.763 411 HD2 LYS 48 HD2 LYS 48 -2.972 5.290 -10.191 412 HD3 LYS 48 HD3 LYS 48 -1.485 4.362 -10.400 413 HE2 LYS 48 HE2 LYS 48 -1.619 4.811 -12.849 414 HE3 LYS 48 HE3 LYS 48 -3.051 5.800 -12.555 415 HZ1 LYS 48 HZ1 LYS 48 -1.713 7.235 -11.138 416 HZ2 LYS 48 HZ2 LYS 48 -1.078 7.162 -12.705 417 HZ3 LYS 48 HZ3 LYS 48 -0.340 6.298 -11.457 418 H TYR 49 H TYR 49 -2.837 0.475 -8.261 419 HA TYR 49 HA TYR 49 -1.230 -0.899 -10.234 420 HB2 TYR 49 HB2 TYR 49 -0.926 -0.376 -7.274 421 HB3 TYR 49 HB3 TYR 49 0.106 -1.572 -8.044 422 HD1 TYR 49 HD1 TYR 49 -1.051 1.915 -8.965 423 HD2 TYR 49 HD2 TYR 49 2.252 -0.747 -8.432 424 HE1 TYR 49 HE1 TYR 49 0.505 3.696 -9.647 425 HE2 TYR 49 HE2 TYR 49 3.802 1.031 -9.118 426 HH TYR 49 HH TYR 49 3.887 3.085 -10.253 427 H LEU 50 H LEU 50 -3.650 -1.973 -7.886 428 HA LEU 50 HA LEU 50 -2.901 -4.743 -7.900 429 HB2 LEU 50 HB2 LEU 50 -5.397 -3.303 -7.066 430 HB3 LEU 50 HB3 LEU 50 -5.494 -5.036 -7.323 431 HG LEU 50 HG LEU 50 -3.621 -5.328 -5.662 432 HD11 LEU 50 HD11 LEU 50 -3.045 -3.581 -4.122 433 HD12 LEU 50 HD12 LEU 50 -4.114 -2.449 -4.944 434 HD13 LEU 50 HD13 LEU 50 -2.672 -3.055 -5.763 435 HD21 LEU 50 HD21 LEU 50 -6.141 -4.026 -4.629 436 HD22 LEU 50 HD22 LEU 50 -5.032 -5.026 -3.691 437 HD23 LEU 50 HD23 LEU 50 -5.927 -5.730 -5.032 438 H LYS 51 H LYS 51 -4.576 -2.799 -10.218 439 HA LYS 51 HA LYS 51 -5.947 -4.779 -11.695 440 HB2 LYS 51 HB2 LYS 51 -4.754 -2.116 -12.538 441 HB3 LYS 51 HB3 LYS 51 -5.745 -3.117 -13.607 442 HG2 LYS 51 HG2 LYS 51 -7.623 -2.960 -11.999 443 HG3 LYS 51 HG3 LYS 51 -6.636 -1.927 -10.955 444 HD2 LYS 51 HD2 LYS 51 -6.536 -0.209 -12.705 445 HD3 LYS 51 HD3 LYS 51 -7.432 -1.252 -13.818 446 HE2 LYS 51 HE2 LYS 51 -8.519 -0.244 -11.172 447 HE3 LYS 51 HE3 LYS 51 -8.844 0.513 -12.731 448 HZ1 LYS 51 HZ1 LYS 51 -9.563 -2.270 -11.978 449 HZ2 LYS 51 HZ2 LYS 51 -9.904 -1.525 -13.458 450 HZ3 LYS 51 HZ3 LYS 51 -10.629 -0.959 -12.039 451 H LYS 52 H LYS 52 -2.576 -3.544 -11.952 452 HA LYS 52 HA LYS 52 -1.916 -5.492 -14.017 453 HB2 LYS 52 HB2 LYS 52 0.309 -4.433 -14.102 454 HB3 LYS 52 HB3 LYS 52 -0.985 -3.273 -14.298 455 HG2 LYS 52 HG2 LYS 52 0.588 -2.147 -12.974 456 HG3 LYS 52 HG3 LYS 52 -0.634 -2.678 -11.818 457 HD2 LYS 52 HD2 LYS 52 0.795 -4.495 -11.059 458 HD3 LYS 52 HD3 LYS 52 1.970 -4.173 -12.334 459 HE2 LYS 52 HE2 LYS 52 1.297 -2.167 -10.159 460 HE3 LYS 52 HE3 LYS 52 2.594 -3.355 -10.015 461 HZ1 LYS 52 HZ1 LYS 52 2.401 -1.290 -12.138 462 HZ2 LYS 52 HZ2 LYS 52 3.666 -2.399 -11.937 463 HZ3 LYS 52 HZ3 LYS 52 3.399 -1.205 -10.776 464 H MET 53 H MET 53 -1.746 -5.418 -10.530 465 HA MET 53 HA MET 53 0.504 -7.259 -10.366 466 HB2 MET 53 HB2 MET 53 -1.180 -5.878 -8.272 467 HB3 MET 53 HB3 MET 53 -0.248 -7.298 -7.818 468 HG2 MET 53 HG2 MET 53 1.793 -6.147 -8.745 469 HG3 MET 53 HG3 MET 53 0.818 -4.687 -8.892 470 HE1 MET 53 HE1 MET 53 -0.985 -4.659 -6.327 471 HE2 MET 53 HE2 MET 53 -0.021 -3.251 -6.790 472 HE3 MET 53 HE3 MET 53 0.042 -3.860 -5.135 473 H ASN 54 H ASN 54 0.501 -9.332 -9.869 474 HA ASN 54 HA ASN 54 -1.929 -10.913 -10.377 475 HB2 ASN 54 HB2 ASN 54 0.115 -11.157 -11.827 476 HB3 ASN 54 HB3 ASN 54 1.028 -11.703 -10.441 477 HD21 ASN 54 HD21 ASN 54 0.704 -13.812 -9.692 478 HD22 ASN 54 HD22 ASN 54 -0.180 -14.989 -10.598 479 H GLU 55 H GLU 55 -1.653 -13.229 -9.152 480 HA GLU 55 HA GLU 55 -2.743 -12.850 -6.670 481 HB2 GLU 55 HB2 GLU 55 -1.275 -15.335 -7.657 482 HB3 GLU 55 HB3 GLU 55 -2.317 -15.304 -6.243 483 HG2 GLU 55 HG2 GLU 55 -3.628 -16.255 -7.928 484 HG3 GLU 55 HG3 GLU 55 -4.206 -14.600 -7.792 485 H GLU 56 H GLU 56 0.655 -13.683 -7.304 486 HA GLU 56 HA GLU 56 1.387 -14.147 -4.559 487 HB2 GLU 56 HB2 GLU 56 3.206 -13.647 -6.950 488 HB3 GLU 56 HB3 GLU 56 3.650 -14.466 -5.454 489 HG2 GLU 56 HG2 GLU 56 2.392 -16.396 -6.007 490 HG3 GLU 56 HG3 GLU 56 1.471 -15.560 -7.252 491 H GLU 57 H GLU 57 1.778 -11.431 -6.822 492 HA GLU 57 HA GLU 57 3.303 -9.663 -5.201 493 HB2 GLU 57 HB2 GLU 57 1.289 -9.037 -7.405 494 HB3 GLU 57 HB3 GLU 57 2.460 -7.892 -6.753 495 HG2 GLU 57 HG2 GLU 57 4.306 -9.213 -7.626 496 HG3 GLU 57 HG3 GLU 57 3.197 -10.473 -8.164 497 H LEU 58 H LEU 58 -0.210 -10.061 -5.591 498 HA LEU 58 HA LEU 58 -1.172 -7.989 -3.970 499 HB2 LEU 58 HB2 LEU 58 -2.436 -10.717 -4.442 500 HB3 LEU 58 HB3 LEU 58 -3.277 -9.304 -3.814 501 HG LEU 58 HG LEU 58 -2.148 -9.657 -6.618 502 HD11 LEU 58 HD11 LEU 58 -4.461 -9.418 -7.369 503 HD12 LEU 58 HD12 LEU 58 -5.010 -9.304 -5.692 504 HD13 LEU 58 HD13 LEU 58 -4.276 -10.797 -6.284 505 HD21 LEU 58 HD21 LEU 58 -3.417 -7.180 -5.426 506 HD22 LEU 58 HD22 LEU 58 -3.022 -7.414 -7.133 507 HD23 LEU 58 HD23 LEU 58 -1.736 -7.365 -5.932 508 H GLU 59 H GLU 59 0.123 -11.114 -2.984 509 HA GLU 59 HA GLU 59 -0.829 -11.130 -0.286 510 HB2 GLU 59 HB2 GLU 59 1.648 -12.491 -1.417 511 HB3 GLU 59 HB3 GLU 59 0.825 -12.902 0.088 512 HG2 GLU 59 HG2 GLU 59 -1.178 -13.561 -1.206 513 HG3 GLU 59 HG3 GLU 59 -0.327 -13.174 -2.702 514 H GLU 60 H GLU 60 2.171 -9.926 -1.793 515 HA GLU 60 HA GLU 60 3.483 -9.074 0.590 516 HB2 GLU 60 HB2 GLU 60 4.638 -9.397 -1.608 517 HB3 GLU 60 HB3 GLU 60 3.807 -7.982 -2.244 518 HG2 GLU 60 HG2 GLU 60 4.993 -6.522 -0.711 519 HG3 GLU 60 HG3 GLU 60 5.700 -7.901 0.128 520 H TYR 61 H TYR 61 1.134 -7.528 -1.578 521 HA TYR 61 HA TYR 61 1.158 -4.947 -0.392 522 HB2 TYR 61 HB2 TYR 61 0.179 -5.448 -2.646 523 HB3 TYR 61 HB3 TYR 61 -1.169 -6.260 -1.846 524 HD1 TYR 61 HD2 TYR 61 0.682 -3.012 -1.502 525 HD2 TYR 61 HD1 TYR 61 -3.135 -4.926 -1.667 526 HE1 TYR 61 HE2 TYR 61 -0.406 -0.846 -1.251 527 HE2 TYR 61 HE1 TYR 61 -4.230 -2.737 -1.395 528 HH TYR 61 HH TYR 61 -3.842 -0.543 -0.829 529 H ASP 62 H ASP 62 -0.777 -7.844 0.289 530 HA ASP 62 HA ASP 62 -2.541 -6.815 2.218 531 HB2 ASP 62 HB2 ASP 62 -2.731 -9.056 1.111 532 HB3 ASP 62 HB3 ASP 62 -1.361 -9.624 2.064 533 H SER 63 H SER 63 0.786 -7.967 2.511 534 HA SER 63 HA SER 63 1.126 -7.853 5.311 535 HB2 SER 63 HB2 SER 63 3.215 -7.349 3.150 536 HB3 SER 63 HB3 SER 63 3.549 -7.776 4.832 537 HG SER 63 HG SER 63 3.601 -9.551 3.295 538 H LEU 64 H LEU 64 1.384 -5.269 2.855 539 HA LEU 64 HA LEU 64 2.577 -3.269 4.500 540 HB2 LEU 64 HB2 LEU 64 2.597 -3.239 2.003 541 HB3 LEU 64 HB3 LEU 64 0.871 -2.924 2.006 542 HG LEU 64 HG LEU 64 1.306 -0.736 3.157 543 HD11 LEU 64 HD11 LEU 64 4.238 -1.358 2.699 544 HD12 LEU 64 HD12 LEU 64 3.422 -1.239 4.260 545 HD13 LEU 64 HD13 LEU 64 3.583 0.190 3.243 546 HD21 LEU 64 HD21 LEU 64 2.735 -1.069 0.495 547 HD22 LEU 64 HD22 LEU 64 2.173 0.460 1.180 548 HD23 LEU 64 HD23 LEU 64 1.007 -0.780 0.726 549 H LEU 65 H LEU 65 -0.740 -4.246 3.983 550 HA LEU 65 HA LEU 65 -2.073 -1.961 5.039 551 HB2 LEU 65 HB2 LEU 65 -3.102 -4.818 4.928 552 HB3 LEU 65 HB3 LEU 65 -4.077 -3.355 5.028 553 HG LEU 65 HG LEU 65 -2.359 -4.203 2.655 554 HD11 LEU 65 HD11 LEU 65 -5.373 -4.131 2.917 555 HD12 LEU 65 HD12 LEU 65 -4.361 -5.577 2.887 556 HD13 LEU 65 HD13 LEU 65 -4.457 -4.544 1.464 557 HD21 LEU 65 HD21 LEU 65 -4.153 -1.764 2.923 558 HD22 LEU 65 HD22 LEU 65 -3.334 -2.289 1.448 559 HD23 LEU 65 HD23 LEU 65 -2.389 -1.763 2.837 560 H ASN 66 H ASN 66 -0.481 -4.635 6.618 561 HA ASN 66 HA ASN 66 -1.791 -4.307 9.200 562 HB2 ASN 66 HB2 ASN 66 0.727 -5.887 8.516 563 HB3 ASN 66 HB3 ASN 66 -0.192 -5.999 10.017 564 HD21 ASN 66 HD21 ASN 66 -0.000 -6.952 6.725 565 HD22 ASN 66 HD22 ASN 66 -1.338 -8.038 6.725 566 H GLU 67 H GLU 67 0.563 -2.518 7.584 567 HA GLU 67 HA GLU 67 2.139 -1.753 9.933 568 HB2 GLU 67 HB2 GLU 67 2.235 -0.540 7.135 569 HB3 GLU 67 HB3 GLU 67 3.448 -0.386 8.403 570 HG2 GLU 67 HG2 GLU 67 2.748 -2.911 6.864 571 HG3 GLU 67 HG3 GLU 67 4.184 -1.914 6.640 572 H LEU 68 H LEU 68 2.373 0.651 10.398 573 HA LEU 68 HA LEU 68 -0.271 1.797 10.840 574 HB2 LEU 68 HB2 LEU 68 2.465 2.844 11.654 575 HB3 LEU 68 HB3 LEU 68 0.923 3.514 12.174 576 HG LEU 68 HG LEU 68 1.974 0.733 12.869 577 HD11 LEU 68 HD11 LEU 68 1.659 3.197 14.620 578 HD12 LEU 68 HD12 LEU 68 3.184 2.508 14.052 579 HD13 LEU 68 HD13 LEU 68 2.167 1.594 15.164 580 HD21 LEU 68 HD21 LEU 68 -0.600 2.107 13.727 581 HD22 LEU 68 HD22 LEU 68 0.007 0.576 14.368 582 HD23 LEU 68 HD23 LEU 68 -0.462 0.695 12.675 583 H ASP 69 H ASP 69 -1.128 3.581 9.895 584 HA ASP 69 HA ASP 69 -0.571 4.335 7.335 585 HB2 ASP 69 HB2 ASP 69 -1.974 6.438 7.845 586 HB3 ASP 69 HB3 ASP 69 -2.707 4.876 8.173 587 H TRP 70 H TRP 70 0.468 6.308 10.194 588 HA TRP 70 HA TRP 70 1.856 8.304 8.806 589 HB2 TRP 70 HB2 TRP 70 2.150 7.248 11.619 590 HB3 TRP 70 HB3 TRP 70 3.308 8.425 11.018 591 HD1 TRP 70 HD1 TRP 70 0.155 8.350 12.861 592 HE1 TRP 70 HE1 TRP 70 -0.971 10.662 12.840 593 HE3 TRP 70 HE3 TRP 70 2.830 10.548 9.080 594 HZ2 TRP 70 HZ2 TRP 70 -0.772 13.085 11.415 595 HZ3 TRP 70 HZ3 TRP 70 2.288 12.863 8.441 596 HH2 TRP 70 HH2 TRP 70 0.521 14.105 9.585 597 H ASP 71 H ASP 71 3.114 5.139 9.948 598 HA ASP 71 HA ASP 71 5.828 5.559 9.216 599 HB2 ASP 71 HB2 ASP 71 4.197 3.015 9.596 600 HB3 ASP 71 HB3 ASP 71 5.928 2.997 9.252 601 H ILE 72 H ILE 72 3.199 3.848 7.488 602 HA ILE 72 HA ILE 72 4.420 3.198 5.076 603 HB ILE 72 HB ILE 72 1.538 4.121 5.510 604 HG12 ILE 72 HG12 ILE 72 2.643 1.274 5.432 605 HG13 ILE 72 HG13 ILE 72 2.228 2.144 6.903 606 HG21 ILE 72 HG21 ILE 72 2.669 2.554 3.158 607 HG22 ILE 72 HG22 ILE 72 2.072 4.214 3.115 608 HG23 ILE 72 HG23 ILE 72 0.958 2.887 3.438 609 HD11 ILE 72 HD11 ILE 72 0.496 0.564 6.303 610 HD12 ILE 72 HD12 ILE 72 0.305 1.321 4.723 611 HD13 ILE 72 HD13 ILE 72 -0.125 2.210 6.187 612 H TYR 73 H TYR 73 3.060 6.306 6.102 613 HA TYR 73 HA TYR 73 3.200 7.636 3.585 614 HB2 TYR 73 HB2 TYR 73 1.744 8.297 5.567 615 HB3 TYR 73 HB3 TYR 73 3.186 8.955 6.332 616 HD1 TYR 73 HD2 TYR 73 1.262 9.171 3.110 617 HD2 TYR 73 HD1 TYR 73 3.660 11.276 5.965 618 HE1 TYR 73 HE2 TYR 73 0.896 11.261 1.876 619 HE2 TYR 73 HE1 TYR 73 3.291 13.372 4.722 620 HH TYR 73 HH TYR 73 0.945 13.643 2.224 621 H TYR 74 H TYR 74 5.424 7.596 6.417 622 HA TYR 74 HA TYR 74 7.257 9.521 5.250 623 HB2 TYR 74 HB2 TYR 74 7.545 7.735 7.698 624 HB3 TYR 74 HB3 TYR 74 8.737 8.937 7.213 625 HD1 TYR 74 HD1 TYR 74 7.473 11.356 6.636 626 HD2 TYR 74 HD2 TYR 74 6.205 8.454 9.503 627 HE1 TYR 74 HE1 TYR 74 6.288 13.107 7.879 628 HE2 TYR 74 HE2 TYR 74 5.014 10.208 10.745 629 HH TYR 74 HH TYR 74 5.028 12.603 11.039 630 H TRP 75 H TRP 75 6.948 6.052 5.114 631 HA TRP 75 HA TRP 75 9.578 5.536 4.059 632 HB2 TRP 75 HB2 TRP 75 7.042 3.867 3.873 633 HB3 TRP 75 HB3 TRP 75 8.654 3.313 3.442 634 HD1 TRP 75 HD1 TRP 75 9.929 4.683 6.283 635 HE1 TRP 75 HE1 TRP 75 9.620 3.278 8.415 636 HE3 TRP 75 HE3 TRP 75 6.107 1.655 4.722 637 HZ2 TRP 75 HZ2 TRP 75 7.982 1.163 9.319 638 HZ3 TRP 75 HZ3 TRP 75 5.226 -0.034 6.280 639 HH2 TRP 75 HH2 TRP 75 6.145 -0.275 8.534 640 H ALA 76 H ALA 76 6.327 5.984 2.657 641 HA ALA 76 HA ALA 76 7.065 5.717 -0.089 642 HB1 ALA 76 HB1 ALA 76 4.750 5.425 0.715 643 HB2 ALA 76 HB2 ALA 76 4.841 6.626 -0.574 644 HB3 ALA 76 HB3 ALA 76 4.665 7.144 1.107 645 H THR 77 H THR 77 5.833 8.721 1.459 646 HA THR 77 HA THR 77 7.387 10.462 -0.239 647 HB THR 77 HB THR 77 6.450 12.331 1.026 648 HG1 THR 77 HG1 THR 77 6.145 10.467 3.041 649 HG21 THR 77 HG21 THR 77 4.299 10.201 0.742 650 HG22 THR 77 HG22 THR 77 4.888 11.244 -0.555 651 HG23 THR 77 HG23 THR 77 4.036 11.946 0.822 652 H LYS 78 H LYS 78 9.533 10.747 0.065 653 HA LYS 78 HA LYS 78 10.922 9.521 2.195 654 HB2 LYS 78 HB2 LYS 78 11.925 11.257 -0.090 655 HB3 LYS 78 HB3 LYS 78 12.988 10.456 1.067 656 HG2 LYS 78 HG2 LYS 78 12.001 8.254 0.345 657 HG3 LYS 78 HG3 LYS 78 11.110 9.122 -0.914 658 HD2 LYS 78 HD2 LYS 78 13.217 9.863 -1.930 659 HD3 LYS 78 HD3 LYS 78 14.143 9.106 -0.629 660 HE2 LYS 78 HE2 LYS 78 13.234 6.880 -1.359 661 HE3 LYS 78 HE3 LYS 78 12.450 7.690 -2.718 662 HZ1 LYS 78 HZ1 LYS 78 14.594 8.357 -3.542 663 HZ2 LYS 78 HZ2 LYS 78 14.577 6.682 -3.305 664 HZ3 LYS 78 HZ3 LYS 78 15.372 7.683 -2.199 665 H ASN 79 H ASN 79 10.089 10.623 3.990 666 HA ASN 79 HA ASN 79 11.510 13.142 4.679 667 HB2 ASN 79 HB2 ASN 79 9.135 11.838 6.091 668 HB3 ASN 79 HB3 ASN 79 9.911 13.342 6.578 669 HD21 ASN 79 HD21 ASN 79 7.753 11.851 4.298 670 HD22 ASN 79 HD22 ASN 79 7.210 13.312 3.559 671 H PHE 80 H PHE 80 10.492 10.050 6.214 672 HA PHE 80 HA PHE 80 11.371 8.692 7.807 673 HB2 PHE 80 HB2 PHE 80 13.994 9.485 6.475 674 HB3 PHE 80 HB3 PHE 80 13.779 8.097 7.533 675 HD1 PHE 80 HD1 PHE 80 12.282 6.181 6.787 676 HD2 PHE 80 HD2 PHE 80 13.396 9.351 4.135 677 HE1 PHE 80 HE1 PHE 80 11.644 4.804 4.852 678 HE2 PHE 80 HE2 PHE 80 12.758 7.956 2.209 679 HZ PHE 80 HZ PHE 80 11.882 5.684 2.566 680 H LYS 81 H LYS 81 11.150 11.587 8.530 681 HA LYS 81 HA LYS 81 13.390 12.292 10.238 682 HB2 LYS 81 HB2 LYS 81 12.057 14.380 10.628 683 HB3 LYS 81 HB3 LYS 81 12.352 14.017 8.930 684 HG2 LYS 81 HG2 LYS 81 10.057 13.103 8.721 685 HG3 LYS 81 HG3 LYS 81 9.752 13.503 10.418 686 HD2 LYS 81 HD2 LYS 81 9.960 15.878 9.959 687 HD3 LYS 81 HD3 LYS 81 10.516 15.568 8.312 688 HE2 LYS 81 HE2 LYS 81 8.311 14.649 7.727 689 HE3 LYS 81 HE3 LYS 81 7.753 14.903 9.382 690 HZ1 LYS 81 HZ1 LYS 81 8.003 17.259 9.101 691 HZ2 LYS 81 HZ2 LYS 81 7.035 16.650 7.856 692 HZ3 LYS 81 HZ3 LYS 81 8.647 17.058 7.551 693 H THR 82 H THR 82 11.042 10.174 10.786 694 HA THR 82 HA THR 82 11.256 10.210 13.647 695 HB THR 82 HB THR 82 9.486 11.828 13.643 696 HG1 THR 82 HG1 THR 82 7.916 9.518 14.012 697 HG21 THR 82 HG21 THR 82 7.334 11.534 12.447 698 HG22 THR 82 HG22 THR 82 7.958 10.064 11.698 699 HG23 THR 82 HG23 THR 82 8.700 11.621 11.331 700 H SER 83 H SER 83 9.758 8.873 10.737 701 HA SER 83 HA SER 83 9.773 6.155 11.921 702 HB2 SER 83 HB2 SER 83 8.311 7.182 9.445 703 HB3 SER 83 HB3 SER 83 8.290 5.509 10.017 704 HG SER 83 HG SER 83 6.730 6.089 11.269 705 HA PRO 84 HA PRO 84 13.399 5.721 9.040 706 HB2 PRO 84 HB2 PRO 84 14.663 3.768 10.474 707 HB3 PRO 84 HB3 PRO 84 14.833 5.488 10.857 708 HG2 PRO 84 HG2 PRO 84 13.020 3.432 12.134 709 HG3 PRO 84 HG3 PRO 84 14.054 4.644 12.921 710 HD2 PRO 84 HD2 PRO 84 11.382 5.037 12.581 711 HD3 PRO 84 HD3 PRO 84 12.543 6.382 12.525 712 H LEU 85 H LEU 85 13.971 3.906 7.665 713 HA LEU 85 HA LEU 85 11.672 2.229 7.055 714 HB2 LEU 85 HB2 LEU 85 12.889 3.507 5.292 715 HB3 LEU 85 HB3 LEU 85 14.318 2.539 5.592 716 HG LEU 85 HG LEU 85 13.110 0.506 4.827 717 HD11 LEU 85 HD11 LEU 85 10.822 1.122 5.438 718 HD12 LEU 85 HD12 LEU 85 10.910 0.690 3.736 719 HD13 LEU 85 HD13 LEU 85 10.807 2.388 4.206 720 HD21 LEU 85 HD21 LEU 85 14.434 1.804 3.196 721 HD22 LEU 85 HD22 LEU 85 13.008 2.765 2.793 722 HD23 LEU 85 HD23 LEU 85 13.040 1.035 2.434 723 HA PRO 86 HA PRO 86 13.723 -1.410 8.962 724 HB2 PRO 86 HB2 PRO 86 11.281 -2.924 8.368 725 HB3 PRO 86 HB3 PRO 86 11.912 -2.428 9.935 726 HG2 PRO 86 HG2 PRO 86 9.622 -1.389 8.845 727 HG3 PRO 86 HG3 PRO 86 10.651 -0.497 9.984 728 HD2 PRO 86 HD2 PRO 86 10.543 -0.305 6.972 729 HD3 PRO 86 HD3 PRO 86 10.642 0.998 8.183 730 H ASP 87 H ASP 87 14.355 -3.529 8.209 731 HA ASP 87 HA ASP 87 15.275 -3.638 5.546 732 HB2 ASP 87 HB2 ASP 87 15.050 -5.892 7.595 733 HB3 ASP 87 HB3 ASP 87 16.039 -5.940 6.130 734 H LYS 88 H LYS 88 12.459 -5.054 7.085 735 HA LYS 88 HA LYS 88 11.547 -6.870 5.161 736 HB2 LYS 88 HB2 LYS 88 9.316 -6.596 6.250 737 HB3 LYS 88 HB3 LYS 88 10.622 -6.790 7.417 738 HG2 LYS 88 HG2 LYS 88 10.643 -4.341 7.789 739 HG3 LYS 88 HG3 LYS 88 9.313 -4.161 6.647 740 HD2 LYS 88 HD2 LYS 88 9.185 -5.721 9.262 741 HD3 LYS 88 HD3 LYS 88 8.583 -4.078 9.028 742 HE2 LYS 88 HE2 LYS 88 7.021 -4.986 7.263 743 HE3 LYS 88 HE3 LYS 88 7.550 -6.610 7.710 744 HZ1 LYS 88 HZ1 LYS 88 6.728 -6.196 9.954 745 HZ2 LYS 88 HZ2 LYS 88 5.501 -6.034 8.801 746 HZ3 LYS 88 HZ3 LYS 88 6.199 -4.653 9.489 747 H TRP 89 H TRP 89 11.377 -3.347 5.070 748 HA TRP 89 HA TRP 89 9.813 -3.478 2.547 749 HB2 TRP 89 HB2 TRP 89 10.042 -1.143 4.491 750 HB3 TRP 89 HB3 TRP 89 9.155 -1.114 2.965 751 HD1 TRP 89 HD1 TRP 89 8.523 -1.640 6.531 752 HE1 TRP 89 HE1 TRP 89 6.324 -2.912 6.916 753 HE3 TRP 89 HE3 TRP 89 7.674 -3.325 1.762 754 HZ2 TRP 89 HZ2 TRP 89 4.489 -4.457 5.421 755 HZ3 TRP 89 HZ3 TRP 89 5.684 -4.701 1.323 756 HH2 TRP 89 HH2 TRP 89 4.122 -5.253 3.119 757 H ALA 90 H ALA 90 12.873 -2.669 3.869 758 HA ALA 90 HA ALA 90 13.854 -0.842 1.938 759 HB1 ALA 90 HB1 ALA 90 15.386 -2.925 3.537 760 HB2 ALA 90 HB2 ALA 90 15.004 -1.285 4.072 761 HB3 ALA 90 HB3 ALA 90 16.094 -1.535 2.706 762 H ASN 91 H ASN 91 13.665 -4.378 1.989 763 HA ASN 91 HA ASN 91 14.894 -4.635 -0.686 764 HB2 ASN 91 HB2 ASN 91 14.112 -6.768 1.345 765 HB3 ASN 91 HB3 ASN 91 14.988 -7.056 -0.156 766 HD21 ASN 91 HD21 ASN 91 15.769 -7.545 2.666 767 HD22 ASN 91 HD22 ASN 91 17.267 -6.712 2.871 768 H SER 92 H SER 92 11.891 -3.888 0.218 769 HA SER 92 HA SER 92 10.433 -5.796 -1.510 770 HB2 SER 92 HB2 SER 92 9.398 -3.635 0.379 771 HB3 SER 92 HB3 SER 92 8.367 -4.651 -0.633 772 HG SER 92 HG SER 92 8.914 -5.271 1.692 773 H LYS 93 H LYS 93 9.937 -5.295 -3.556 774 HA LYS 93 HA LYS 93 10.467 -2.728 -4.732 775 HB2 LYS 93 HB2 LYS 93 10.693 -4.821 -6.048 776 HB3 LYS 93 HB3 LYS 93 8.962 -5.101 -5.918 777 HG2 LYS 93 HG2 LYS 93 9.566 -4.206 -8.129 778 HG3 LYS 93 HG3 LYS 93 8.501 -3.102 -7.255 779 HD2 LYS 93 HD2 LYS 93 10.543 -1.772 -6.587 780 HD3 LYS 93 HD3 LYS 93 11.513 -2.817 -7.630 781 HE2 LYS 93 HE2 LYS 93 9.201 -1.061 -8.548 782 HE3 LYS 93 HE3 LYS 93 10.913 -0.663 -8.714 783 HZ1 LYS 93 HZ1 LYS 93 11.184 -2.590 -10.151 784 HZ2 LYS 93 HZ2 LYS 93 10.000 -1.550 -10.765 785 HZ3 LYS 93 HZ3 LYS 93 9.547 -2.980 -9.982 786 H LEU 94 H LEU 94 7.606 -4.235 -3.339 787 HA LEU 94 HA LEU 94 5.494 -2.727 -4.307 788 HB2 LEU 94 HB2 LEU 94 5.239 -4.606 -2.740 789 HB3 LEU 94 HB3 LEU 94 5.995 -3.664 -1.465 790 HG LEU 94 HG LEU 94 4.044 -2.034 -1.633 791 HD11 LEU 94 HD11 LEU 94 2.777 -4.209 -3.318 792 HD12 LEU 94 HD12 LEU 94 3.248 -2.596 -3.869 793 HD13 LEU 94 HD13 LEU 94 1.969 -2.776 -2.673 794 HD21 LEU 94 HD21 LEU 94 4.196 -3.632 0.186 795 HD22 LEU 94 HD22 LEU 94 3.416 -4.874 -0.796 796 HD23 LEU 94 HD23 LEU 94 2.518 -3.432 -0.314 797 H LEU 95 H LEU 95 7.733 -1.868 -1.676 798 HA LEU 95 HA LEU 95 6.627 0.610 -0.924 799 HB2 LEU 95 HB2 LEU 95 8.325 -0.527 0.443 800 HB3 LEU 95 HB3 LEU 95 9.518 -0.317 -0.833 801 HG LEU 95 HG LEU 95 9.264 2.197 -0.560 802 HD11 LEU 95 HD11 LEU 95 7.064 2.252 0.484 803 HD12 LEU 95 HD12 LEU 95 8.259 3.084 1.472 804 HD13 LEU 95 HD13 LEU 95 7.707 1.471 1.934 805 HD21 LEU 95 HD21 LEU 95 10.273 0.690 1.862 806 HD22 LEU 95 HD22 LEU 95 10.668 2.357 1.430 807 HD23 LEU 95 HD23 LEU 95 11.176 1.035 0.384 808 H LYS 96 H LYS 96 9.135 -0.176 -3.312 809 HA LYS 96 HA LYS 96 9.723 2.504 -4.104 810 HB2 LYS 96 HB2 LYS 96 10.246 -0.116 -5.579 811 HB3 LYS 96 HB3 LYS 96 10.999 1.442 -5.949 812 HG2 LYS 96 HG2 LYS 96 12.035 1.472 -3.698 813 HG3 LYS 96 HG3 LYS 96 11.282 -0.085 -3.333 814 HD2 LYS 96 HD2 LYS 96 12.601 -1.149 -5.133 815 HD3 LYS 96 HD3 LYS 96 13.329 0.411 -5.534 816 HE2 LYS 96 HE2 LYS 96 14.318 0.491 -3.231 817 HE3 LYS 96 HE3 LYS 96 13.658 -1.117 -2.921 818 HZ1 LYS 96 HZ1 LYS 96 15.011 -1.975 -4.720 819 HZ2 LYS 96 HZ2 LYS 96 15.972 -1.206 -3.564 820 HZ3 LYS 96 HZ3 LYS 96 15.634 -0.433 -5.028 821 H GLN 97 H GLN 97 7.368 0.145 -5.202 822 HA GLN 97 HA GLN 97 6.297 1.538 -7.446 823 HB2 GLN 97 HB2 GLN 97 5.041 -0.471 -5.527 824 HB3 GLN 97 HB3 GLN 97 4.244 0.106 -6.987 825 HG2 GLN 97 HG2 GLN 97 6.922 -1.322 -7.024 826 HG3 GLN 97 HG3 GLN 97 5.376 -2.167 -7.120 827 HE21 GLN 97 HE21 GLN 97 7.523 0.063 -8.788 828 HE22 GLN 97 HE22 GLN 97 6.813 -0.131 -10.347 829 H LEU 98 H LEU 98 5.700 1.688 -3.974 830 HA LEU 98 HA LEU 98 3.435 3.466 -4.071 831 HB2 LEU 98 HB2 LEU 98 3.931 1.795 -2.245 832 HB3 LEU 98 HB3 LEU 98 5.277 2.801 -1.741 833 HG LEU 98 HG LEU 98 3.679 4.634 -1.174 834 HD11 LEU 98 HD11 LEU 98 1.889 4.142 -2.743 835 HD12 LEU 98 HD12 LEU 98 1.259 4.175 -1.099 836 HD13 LEU 98 HD13 LEU 98 1.528 2.627 -1.909 837 HD21 LEU 98 HD21 LEU 98 2.722 3.584 0.842 838 HD22 LEU 98 HD22 LEU 98 4.391 3.082 0.585 839 HD23 LEU 98 HD23 LEU 98 3.069 1.983 0.182 840 H GLN 99 H GLN 99 6.925 3.867 -3.696 841 HA GLN 99 HA GLN 99 6.986 6.646 -3.032 842 HB2 GLN 99 HB2 GLN 99 9.114 4.838 -4.260 843 HB3 GLN 99 HB3 GLN 99 9.422 6.491 -3.732 844 HG2 GLN 99 HG2 GLN 99 8.885 5.875 -1.421 845 HG3 GLN 99 HG3 GLN 99 8.496 4.233 -1.926 846 HE21 GLN 99 HE21 GLN 99 10.508 5.182 -0.004 847 HE22 GLN 99 HE22 GLN 99 12.016 4.547 -0.555 848 H GLU 100 H GLU 100 7.377 4.896 -6.145 849 HA GLU 100 HA GLU 100 7.651 7.226 -7.774 850 HB2 GLU 100 HB2 GLU 100 7.389 5.754 -9.696 851 HB3 GLU 100 HB3 GLU 100 8.399 4.950 -8.500 852 HG2 GLU 100 HG2 GLU 100 6.398 3.650 -7.754 853 HG3 GLU 100 HG3 GLU 100 5.472 4.395 -9.050 854 H PHE 101 H PHE 101 4.822 5.290 -6.752 855 HA PHE 101 HA PHE 101 2.887 6.597 -8.372 856 HB2 PHE 101 HB2 PHE 101 2.361 4.447 -7.281 857 HB3 PHE 101 HB3 PHE 101 2.463 5.208 -5.692 858 HD1 PHE 101 HD2 PHE 101 0.690 5.680 -8.965 859 HD2 PHE 101 HD1 PHE 101 0.407 5.920 -4.703 860 HE1 PHE 101 HE2 PHE 101 -1.645 6.368 -9.153 861 HE2 PHE 101 HE1 PHE 101 -1.948 6.625 -4.918 862 HZ PHE 101 HZ PHE 101 -2.969 6.834 -7.164 863 H SER 102 H SER 102 4.138 7.311 -5.126 864 HA SER 102 HA SER 102 2.427 9.375 -4.347 865 HB2 SER 102 HB2 SER 102 4.202 8.359 -2.896 866 HB3 SER 102 HB3 SER 102 5.421 9.269 -3.791 867 HG SER 102 HG SER 102 4.989 10.847 -2.493 868 H GLU 103 H GLU 103 5.053 9.445 -6.660 869 HA GLU 103 HA GLU 103 5.021 12.291 -7.167 870 HB2 GLU 103 HB2 GLU 103 6.074 10.111 -9.012 871 HB3 GLU 103 HB3 GLU 103 6.576 11.801 -8.943 872 HG2 GLU 103 HG2 GLU 103 7.102 9.690 -6.820 873 HG3 GLU 103 HG3 GLU 103 8.255 10.248 -8.024 874 H ASN 104 H ASN 104 3.539 9.401 -8.623 875 HA ASN 104 HA ASN 104 2.696 10.797 -11.054 876 HB2 ASN 104 HB2 ASN 104 2.564 7.868 -10.244 877 HB3 ASN 104 HB3 ASN 104 2.105 8.484 -11.831 878 HD21 ASN 104 HD21 ASN 104 4.293 6.622 -10.895 879 HD22 ASN 104 HD22 ASN 104 5.725 7.267 -11.602 880 H LYS 105 H LYS 105 1.193 10.129 -8.088 881 HA LYS 105 HA LYS 105 -1.422 9.367 -8.878 882 HB2 LYS 105 HB2 LYS 105 -2.154 10.138 -6.594 883 HB3 LYS 105 HB3 LYS 105 -0.886 8.923 -6.638 884 HG2 LYS 105 HG2 LYS 105 0.794 10.517 -6.046 885 HG3 LYS 105 HG3 LYS 105 -0.327 11.872 -6.243 886 HD2 LYS 105 HD2 LYS 105 -1.547 11.295 -4.286 887 HD3 LYS 105 HD3 LYS 105 -0.876 9.662 -4.238 888 HE2 LYS 105 HE2 LYS 105 0.044 11.191 -2.481 889 HE3 LYS 105 HE3 LYS 105 1.265 10.483 -3.530 890 HZ1 LYS 105 HZ1 LYS 105 1.679 12.827 -3.105 891 HZ2 LYS 105 HZ2 LYS 105 0.194 13.240 -3.799 892 HZ3 LYS 105 HZ3 LYS 105 1.406 12.544 -4.751 893 H GLU 106 H GLU 106 0.074 12.483 -8.792 894 HA GLU 106 HA GLU 106 -2.491 13.917 -9.190 895 HB2 GLU 106 HB2 GLU 106 0.299 14.980 -8.582 896 HB3 GLU 106 HB3 GLU 106 -1.180 15.934 -8.609 897 HG2 GLU 106 HG2 GLU 106 -1.790 15.293 -6.517 898 HG3 GLU 106 HG3 GLU 106 -1.318 13.618 -6.766 899 H LYS 107 H LYS 107 -0.212 12.461 -11.068 900 HA LYS 107 HA LYS 107 -0.226 14.469 -13.237 901 HB2 LYS 107 HB2 LYS 107 1.420 11.931 -12.906 902 HB3 LYS 107 HB3 LYS 107 1.525 13.020 -14.293 903 HG2 LYS 107 HG2 LYS 107 2.219 14.856 -12.727 904 HG3 LYS 107 HG3 LYS 107 2.226 13.674 -11.411 905 HD2 LYS 107 HD2 LYS 107 4.004 12.397 -12.533 906 HD3 LYS 107 HD3 LYS 107 3.947 13.495 -13.919 907 HE2 LYS 107 HE2 LYS 107 5.846 14.056 -12.489 908 HE3 LYS 107 HE3 LYS 107 4.665 15.365 -12.447 909 HZ1 LYS 107 HZ1 LYS 107 5.076 13.281 -10.372 910 HZ2 LYS 107 HZ2 LYS 107 3.852 14.444 -10.324 911 HZ3 LYS 107 HZ3 LYS 107 5.471 14.919 -10.251 912 H GLU 108 H GLU 108 -2.082 11.930 -12.285 913 HA GLU 108 HA GLU 108 -2.898 11.082 -14.986 914 HB2 GLU 108 HB2 GLU 108 -4.284 9.394 -13.820 915 HB3 GLU 108 HB3 GLU 108 -2.600 9.297 -13.312 916 HG2 GLU 108 HG2 GLU 108 -3.183 10.579 -11.254 917 HG3 GLU 108 HG3 GLU 108 -4.877 10.556 -11.748 918 H ILE 109 H ILE 109 -5.182 11.203 -15.567 919 HA ILE 109 HA ILE 109 -6.331 13.795 -14.823 920 HB ILE 109 HB ILE 109 -7.141 11.845 -17.024 921 HG12 ILE 109 HG12 ILE 109 -4.879 12.790 -17.396 922 HG13 ILE 109 HG13 ILE 109 -6.015 13.404 -18.588 923 HG21 ILE 109 HG21 ILE 109 -9.061 13.237 -16.403 924 HG22 ILE 109 HG22 ILE 109 -8.454 13.725 -17.985 925 HG23 ILE 109 HG23 ILE 109 -8.087 14.703 -16.562 926 HD11 ILE 109 HD11 ILE 109 -4.997 14.901 -16.170 927 HD12 ILE 109 HD12 ILE 109 -6.144 15.523 -17.361 928 HD13 ILE 109 HD13 ILE 109 -4.495 15.131 -17.844 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -24.100 2.384 11.221 2 H2 MET 1 H2 MET 1 -24.680 0.834 11.562 3 H3 MET 1 H3 MET 1 -24.118 1.201 10.011 4 HA MET 1 HA MET 1 -22.521 -0.115 11.209 5 HB2 MET 1 HB2 MET 1 -21.757 2.761 10.607 6 HB3 MET 1 HB3 MET 1 -20.553 1.569 11.076 7 HG2 MET 1 HG2 MET 1 -20.617 1.847 8.658 8 HG3 MET 1 HG3 MET 1 -21.099 0.212 9.119 9 HE1 MET 1 HE1 MET 1 -22.179 -0.275 6.726 10 HE2 MET 1 HE2 MET 1 -21.598 1.314 6.221 11 HE3 MET 1 HE3 MET 1 -23.274 0.849 5.924 12 H GLY 2 H GLY 2 -20.706 0.011 12.833 13 HA2 GLY 2 HA2 GLY 2 -20.421 1.593 15.029 14 HA3 GLY 2 HA3 GLY 2 -21.777 0.564 15.476 15 H HIS 3 H HIS 3 -18.551 0.215 13.957 16 HA HIS 3 HA HIS 3 -18.203 -2.481 14.751 17 HB2 HIS 3 HB2 HIS 3 -15.763 -2.139 14.075 18 HB3 HIS 3 HB3 HIS 3 -16.969 -1.818 12.842 19 HD1 HIS 3 HD1 HIS 3 -15.389 0.506 15.476 20 HD2 HIS 3 HD2 HIS 3 -16.004 0.245 11.378 21 HE1 HIS 3 HE1 HIS 3 -14.408 2.598 14.516 22 HE2 HIS 3 HE2 HIS 3 -14.922 2.481 12.068 23 H HIS 4 H HIS 4 -17.513 -3.384 16.567 24 HA HIS 4 HA HIS 4 -16.613 -1.799 18.849 25 HB2 HIS 4 HB2 HIS 4 -16.994 -4.820 18.584 26 HB3 HIS 4 HB3 HIS 4 -16.738 -3.935 20.088 27 HD1 HIS 4 HD1 HIS 4 -19.334 -5.582 18.599 28 HD2 HIS 4 HD2 HIS 4 -19.001 -1.684 19.993 29 HE1 HIS 4 HE1 HIS 4 -21.682 -4.824 19.028 30 HE2 HIS 4 HE2 HIS 4 -21.462 -2.430 19.755 31 H HIS 5 H HIS 5 -14.534 -1.816 19.679 32 HA HIS 5 HA HIS 5 -12.374 -2.661 17.912 33 HB2 HIS 5 HB2 HIS 5 -12.288 -1.137 20.555 34 HB3 HIS 5 HB3 HIS 5 -10.924 -1.368 19.460 35 HD1 HIS 5 HD1 HIS 5 -13.973 0.689 19.966 36 HD2 HIS 5 HD2 HIS 5 -11.094 0.122 17.028 37 HE1 HIS 5 HE1 HIS 5 -14.286 2.577 18.357 38 HE2 HIS 5 HE2 HIS 5 -12.394 2.333 16.724 39 H HIS 6 H HIS 6 -13.036 -4.965 18.299 40 HA HIS 6 HA HIS 6 -12.031 -6.145 20.798 41 HB2 HIS 6 HB2 HIS 6 -13.045 -8.292 19.926 42 HB3 HIS 6 HB3 HIS 6 -14.194 -6.994 20.205 43 HD1 HIS 6 HD1 HIS 6 -12.635 -9.015 17.459 44 HD2 HIS 6 HD2 HIS 6 -15.558 -6.102 17.918 45 HE1 HIS 6 HE1 HIS 6 -13.898 -8.987 15.298 46 HE2 HIS 6 HE2 HIS 6 -15.778 -7.373 15.676 47 H HIS 7 H HIS 7 -9.845 -5.549 20.302 48 HA HIS 7 HA HIS 7 -8.408 -6.920 18.174 49 HB2 HIS 7 HB2 HIS 7 -7.799 -4.607 19.011 50 HB3 HIS 7 HB3 HIS 7 -7.287 -5.327 20.532 51 HD1 HIS 7 HD1 HIS 7 -5.090 -6.770 20.468 52 HD2 HIS 7 HD2 HIS 7 -5.977 -4.820 16.909 53 HE1 HIS 7 HE1 HIS 7 -2.976 -6.841 19.122 54 HE2 HIS 7 HE2 HIS 7 -3.571 -5.760 16.933 55 H HIS 8 H HIS 8 -9.225 -9.042 18.890 56 HA HIS 8 HA HIS 8 -7.617 -10.310 21.037 57 HB2 HIS 8 HB2 HIS 8 -10.574 -10.799 20.441 58 HB3 HIS 8 HB3 HIS 8 -9.604 -11.735 21.577 59 HD1 HIS 8 HD1 HIS 8 -8.620 -10.285 23.656 60 HD2 HIS 8 HD2 HIS 8 -11.795 -8.614 21.566 61 HE1 HIS 8 HE1 HIS 8 -9.543 -8.503 25.155 62 HE2 HIS 8 HE2 HIS 8 -11.579 -7.655 23.958 63 H SER 9 H SER 9 -6.155 -11.226 19.658 64 HA SER 9 HA SER 9 -5.163 -12.622 18.193 65 HB2 SER 9 HB2 SER 9 -7.761 -14.206 18.365 66 HB3 SER 9 HB3 SER 9 -6.241 -14.811 17.698 67 HG SER 9 HG SER 9 -5.329 -14.360 19.834 68 H HIS 10 H HIS 10 -5.552 -13.849 15.923 69 HA HIS 10 HA HIS 10 -7.126 -12.057 14.140 70 HB2 HIS 10 HB2 HIS 10 -4.512 -13.504 13.521 71 HB3 HIS 10 HB3 HIS 10 -5.440 -12.551 12.366 72 HD1 HIS 10 HD1 HIS 10 -2.803 -12.274 14.867 73 HD2 HIS 10 HD2 HIS 10 -5.523 -9.693 13.077 74 HE1 HIS 10 HE1 HIS 10 -1.915 -9.973 15.287 75 HE2 HIS 10 HE2 HIS 10 -3.439 -8.458 13.994 76 H MET 11 H MET 11 -9.006 -13.313 14.110 77 HA MET 11 HA MET 11 -8.997 -16.105 13.291 78 HB2 MET 11 HB2 MET 11 -11.304 -14.121 13.547 79 HB3 MET 11 HB3 MET 11 -11.485 -15.845 13.237 80 HG2 MET 11 HG2 MET 11 -10.460 -16.341 15.425 81 HG3 MET 11 HG3 MET 11 -10.307 -14.607 15.740 82 HE1 MET 11 HE1 MET 11 -11.777 -16.617 17.769 83 HE2 MET 11 HE2 MET 11 -13.192 -15.651 18.197 84 HE3 MET 11 HE3 MET 11 -11.606 -14.889 18.049 85 H ILE 12 H ILE 12 -7.730 -15.835 11.352 86 HA ILE 12 HA ILE 12 -8.709 -14.185 9.157 87 HB ILE 12 HB ILE 12 -6.278 -16.027 9.318 88 HG12 ILE 12 HG12 ILE 12 -6.435 -12.984 9.554 89 HG13 ILE 12 HG13 ILE 12 -6.191 -14.087 10.904 90 HG21 ILE 12 HG21 ILE 12 -6.980 -13.970 7.179 91 HG22 ILE 12 HG22 ILE 12 -6.975 -15.722 6.968 92 HG23 ILE 12 HG23 ILE 12 -5.464 -14.868 7.275 93 HD11 ILE 12 HD11 ILE 12 -4.043 -14.783 9.924 94 HD12 ILE 12 HD12 ILE 12 -4.108 -13.051 10.246 95 HD13 ILE 12 HD13 ILE 12 -4.293 -13.646 8.596 96 H LYS 13 H LYS 13 -10.252 -14.942 7.814 97 HA LYS 13 HA LYS 13 -10.329 -17.808 7.077 98 HB2 LYS 13 HB2 LYS 13 -12.466 -15.652 6.999 99 HB3 LYS 13 HB3 LYS 13 -12.636 -17.143 6.075 100 HG2 LYS 13 HG2 LYS 13 -12.325 -16.944 9.089 101 HG3 LYS 13 HG3 LYS 13 -13.823 -17.293 8.215 102 HD2 LYS 13 HD2 LYS 13 -12.706 -19.376 7.286 103 HD3 LYS 13 HD3 LYS 13 -11.317 -19.041 8.328 104 HE2 LYS 13 HE2 LYS 13 -12.742 -20.719 9.370 105 HE3 LYS 13 HE3 LYS 13 -12.813 -19.231 10.316 106 HZ1 LYS 13 HZ1 LYS 13 -14.997 -20.199 10.024 107 HZ2 LYS 13 HZ2 LYS 13 -14.844 -20.125 8.339 108 HZ3 LYS 13 HZ3 LYS 13 -14.911 -18.702 9.245 109 H ARG 14 H ARG 14 -8.643 -17.768 5.656 110 HA ARG 14 HA ARG 14 -8.771 -16.331 3.125 111 HB2 ARG 14 HB2 ARG 14 -6.633 -16.950 4.386 112 HB3 ARG 14 HB3 ARG 14 -6.948 -18.630 3.971 113 HG2 ARG 14 HG2 ARG 14 -6.780 -18.017 1.549 114 HG3 ARG 14 HG3 ARG 14 -6.372 -16.362 2.021 115 HD2 ARG 14 HD2 ARG 14 -4.329 -17.567 1.502 116 HD3 ARG 14 HD3 ARG 14 -4.371 -17.254 3.240 117 HE ARG 14 HE ARG 14 -5.456 -19.823 2.559 118 HH11 ARG 14 HH11 ARG 14 -2.458 -18.210 3.178 119 HH12 ARG 14 HH12 ARG 14 -1.632 -19.684 3.532 120 HH21 ARG 14 HH21 ARG 14 -4.366 -21.672 3.015 121 HH22 ARG 14 HH22 ARG 14 -2.695 -21.606 3.452 122 H THR 15 H THR 15 -10.247 -19.017 4.474 123 HA THR 15 HA THR 15 -10.317 -20.975 2.458 124 HB THR 15 HB THR 15 -12.390 -20.465 4.646 125 HG1 THR 15 HG1 THR 15 -11.036 -22.129 5.733 126 HG21 THR 15 HG21 THR 15 -13.163 -22.111 2.967 127 HG22 THR 15 HG22 THR 15 -12.809 -22.903 4.503 128 HG23 THR 15 HG23 THR 15 -11.667 -23.030 3.164 129 H ASN 16 H ASN 16 -11.407 -21.057 0.575 130 HA ASN 16 HA ASN 16 -12.795 -20.676 -1.167 131 HB2 ASN 16 HB2 ASN 16 -14.771 -20.080 1.064 132 HB3 ASN 16 HB3 ASN 16 -15.244 -20.126 -0.629 133 HD21 ASN 16 HD21 ASN 16 -15.168 -22.133 -1.737 134 HD22 ASN 16 HD22 ASN 16 -15.156 -23.628 -0.872 135 H GLU 17 H GLU 17 -11.170 -18.358 -0.088 136 HA GLU 17 HA GLU 17 -12.666 -16.077 -1.184 137 HB2 GLU 17 HB2 GLU 17 -11.437 -15.577 0.852 138 HB3 GLU 17 HB3 GLU 17 -9.944 -16.227 0.181 139 HG2 GLU 17 HG2 GLU 17 -9.737 -14.398 -1.370 140 HG3 GLU 17 HG3 GLU 17 -11.365 -13.829 -1.021 141 HA PRO 18 HA PRO 18 -10.582 -16.808 -5.266 142 HB2 PRO 18 HB2 PRO 18 -12.394 -14.476 -5.894 143 HB3 PRO 18 HB3 PRO 18 -12.124 -15.971 -6.805 144 HG2 PRO 18 HG2 PRO 18 -14.374 -15.651 -5.412 145 HG3 PRO 18 HG3 PRO 18 -13.553 -17.228 -5.430 146 HD2 PRO 18 HD2 PRO 18 -13.513 -15.095 -3.282 147 HD3 PRO 18 HD3 PRO 18 -13.694 -16.858 -3.114 148 H LEU 19 H LEU 19 -8.915 -15.609 -6.182 149 HA LEU 19 HA LEU 19 -7.498 -13.763 -4.620 150 HB2 LEU 19 HB2 LEU 19 -6.665 -15.374 -6.427 151 HB3 LEU 19 HB3 LEU 19 -7.200 -14.213 -7.619 152 HG LEU 19 HG LEU 19 -4.734 -14.222 -7.186 153 HD11 LEU 19 HD11 LEU 19 -4.381 -11.840 -7.185 154 HD12 LEU 19 HD12 LEU 19 -5.995 -11.559 -6.535 155 HD13 LEU 19 HD13 LEU 19 -5.799 -12.239 -8.155 156 HD21 LEU 19 HD21 LEU 19 -4.756 -14.667 -4.769 157 HD22 LEU 19 HD22 LEU 19 -5.405 -13.053 -4.468 158 HD23 LEU 19 HD23 LEU 19 -3.790 -13.244 -5.164 159 H ASP 20 H ASP 20 -9.828 -13.259 -7.232 160 HA ASP 20 HA ASP 20 -9.477 -10.467 -7.634 161 HB2 ASP 20 HB2 ASP 20 -10.647 -12.073 -9.207 162 HB3 ASP 20 HB3 ASP 20 -12.012 -12.101 -8.094 163 H LYS 21 H LYS 21 -11.615 -12.327 -5.464 164 HA LYS 21 HA LYS 21 -12.923 -10.038 -4.298 165 HB2 LYS 21 HB2 LYS 21 -12.796 -12.954 -3.452 166 HB3 LYS 21 HB3 LYS 21 -13.630 -11.734 -2.489 167 HG2 LYS 21 HG2 LYS 21 -15.049 -11.218 -4.510 168 HG3 LYS 21 HG3 LYS 21 -14.307 -12.605 -5.318 169 HD2 LYS 21 HD2 LYS 21 -15.207 -14.120 -3.609 170 HD3 LYS 21 HD3 LYS 21 -15.848 -12.756 -2.688 171 HE2 LYS 21 HE2 LYS 21 -17.379 -12.230 -4.566 172 HE3 LYS 21 HE3 LYS 21 -16.744 -13.611 -5.466 173 HZ1 LYS 21 HZ1 LYS 21 -18.803 -14.163 -4.378 174 HZ2 LYS 21 HZ2 LYS 21 -18.177 -13.728 -2.871 175 HZ3 LYS 21 HZ3 LYS 21 -17.542 -15.057 -3.696 176 H LYS 22 H LYS 22 -10.015 -11.888 -3.492 177 HA LYS 22 HA LYS 22 -9.364 -10.655 -1.034 178 HB2 LYS 22 HB2 LYS 22 -8.012 -12.511 -1.592 179 HB3 LYS 22 HB3 LYS 22 -7.698 -11.925 -3.222 180 HG2 LYS 22 HG2 LYS 22 -6.150 -10.265 -2.435 181 HG3 LYS 22 HG3 LYS 22 -6.624 -10.525 -0.754 182 HD2 LYS 22 HD2 LYS 22 -5.596 -12.703 -0.740 183 HD3 LYS 22 HD3 LYS 22 -5.268 -12.621 -2.475 184 HE2 LYS 22 HE2 LYS 22 -3.584 -10.971 -2.180 185 HE3 LYS 22 HE3 LYS 22 -4.118 -10.597 -0.547 186 HZ1 LYS 22 HZ1 LYS 22 -3.394 -12.801 0.134 187 HZ2 LYS 22 HZ2 LYS 22 -2.132 -11.885 -0.493 188 HZ3 LYS 22 HZ3 LYS 22 -2.821 -13.107 -1.427 189 H ARG 23 H ARG 23 -8.579 -9.766 -4.378 190 HA ARG 23 HA ARG 23 -7.121 -7.415 -3.991 191 HB2 ARG 23 HB2 ARG 23 -7.359 -8.642 -6.141 192 HB3 ARG 23 HB3 ARG 23 -9.041 -8.137 -6.247 193 HG2 ARG 23 HG2 ARG 23 -8.313 -5.777 -6.444 194 HG3 ARG 23 HG3 ARG 23 -6.627 -6.298 -6.352 195 HD2 ARG 23 HD2 ARG 23 -7.243 -5.903 -8.676 196 HD3 ARG 23 HD3 ARG 23 -6.939 -7.619 -8.429 197 HE ARG 23 HE ARG 23 -9.303 -8.025 -8.544 198 HH11 ARG 23 HH11 ARG 23 -8.447 -4.789 -9.423 199 HH12 ARG 23 HH12 ARG 23 -9.886 -4.546 -10.340 200 HH21 ARG 23 HH21 ARG 23 -11.137 -7.677 -9.712 201 HH22 ARG 23 HH22 ARG 23 -11.389 -6.157 -10.495 202 H ALA 24 H ALA 24 -10.650 -7.901 -4.209 203 HA ALA 24 HA ALA 24 -11.496 -5.212 -3.904 204 HB1 ALA 24 HB1 ALA 24 -12.942 -7.750 -3.067 205 HB2 ALA 24 HB2 ALA 24 -12.991 -7.018 -4.672 206 HB3 ALA 24 HB3 ALA 24 -13.682 -6.160 -3.293 207 H ARG 25 H ARG 25 -10.929 -7.772 -1.474 208 HA ARG 25 HA ARG 25 -11.614 -6.340 0.859 209 HB2 ARG 25 HB2 ARG 25 -11.440 -8.777 0.844 210 HB3 ARG 25 HB3 ARG 25 -9.727 -8.697 0.448 211 HG2 ARG 25 HG2 ARG 25 -9.259 -7.692 2.660 212 HG3 ARG 25 HG3 ARG 25 -10.977 -7.761 3.058 213 HD2 ARG 25 HD2 ARG 25 -9.677 -9.615 4.090 214 HD3 ARG 25 HD3 ARG 25 -10.933 -10.202 2.997 215 HE ARG 25 HE ARG 25 -9.318 -11.063 1.615 216 HH11 ARG 25 HH11 ARG 25 -7.692 -8.997 3.869 217 HH12 ARG 25 HH12 ARG 25 -6.125 -9.566 3.413 218 HH21 ARG 25 HH21 ARG 25 -7.335 -11.781 1.072 219 HH22 ARG 25 HH22 ARG 25 -5.929 -11.131 1.851 220 H LEU 26 H LEU 26 -8.573 -6.448 -0.972 221 HA LEU 26 HA LEU 26 -6.967 -5.140 1.031 222 HB2 LEU 26 HB2 LEU 26 -6.435 -5.509 -1.940 223 HB3 LEU 26 HB3 LEU 26 -5.273 -4.916 -0.767 224 HG LEU 26 HG LEU 26 -6.456 -7.739 -0.771 225 HD11 LEU 26 HD11 LEU 26 -3.685 -6.788 -1.568 226 HD12 LEU 26 HD12 LEU 26 -4.943 -7.385 -2.654 227 HD13 LEU 26 HD13 LEU 26 -4.225 -8.467 -1.465 228 HD21 LEU 26 HD21 LEU 26 -5.959 -6.998 1.504 229 HD22 LEU 26 HD22 LEU 26 -4.340 -6.481 1.023 230 HD23 LEU 26 HD23 LEU 26 -4.771 -8.197 0.989 231 H ILE 27 H ILE 27 -8.368 -4.031 -2.116 232 HA ILE 27 HA ILE 27 -7.788 -1.292 -1.929 233 HB ILE 27 HB ILE 27 -10.223 -2.596 -3.241 234 HG12 ILE 27 HG12 ILE 27 -7.567 -1.739 -4.475 235 HG13 ILE 27 HG13 ILE 27 -8.024 -3.398 -4.119 236 HG21 ILE 27 HG21 ILE 27 -10.418 -0.538 -4.626 237 HG22 ILE 27 HG22 ILE 27 -9.110 0.203 -3.702 238 HG23 ILE 27 HG23 ILE 27 -10.639 -0.180 -2.910 239 HD11 ILE 27 HD11 ILE 27 -9.343 -1.585 -6.136 240 HD12 ILE 27 HD12 ILE 27 -9.823 -3.247 -5.777 241 HD13 ILE 27 HD13 ILE 27 -8.236 -2.918 -6.472 242 H TYR 28 H TYR 28 -10.406 -3.143 -0.453 243 HA TYR 28 HA TYR 28 -11.972 -1.053 0.620 244 HB2 TYR 28 HB2 TYR 28 -12.794 -3.351 0.491 245 HB3 TYR 28 HB3 TYR 28 -11.525 -3.911 1.570 246 HD1 TYR 28 HD2 TYR 28 -14.364 -1.425 1.544 247 HD2 TYR 28 HD1 TYR 28 -12.109 -4.261 3.824 248 HE1 TYR 28 HE2 TYR 28 -15.858 -1.077 3.463 249 HE2 TYR 28 HE1 TYR 28 -13.608 -3.911 5.738 250 HH TYR 28 HH TYR 28 -15.144 -2.240 6.601 251 H GLN 29 H GLN 29 -9.282 -2.912 2.095 252 HA GLN 29 HA GLN 29 -9.283 -1.355 4.555 253 HB2 GLN 29 HB2 GLN 29 -7.376 -3.514 3.578 254 HB3 GLN 29 HB3 GLN 29 -7.377 -2.820 5.200 255 HG2 GLN 29 HG2 GLN 29 -9.628 -3.728 5.600 256 HG3 GLN 29 HG3 GLN 29 -9.661 -4.394 3.965 257 HE21 GLN 29 HE21 GLN 29 -8.301 -6.178 3.480 258 HE22 GLN 29 HE22 GLN 29 -7.628 -7.159 4.731 259 H SER 30 H SER 30 -7.882 -0.881 1.492 260 HA SER 30 HA SER 30 -5.511 0.567 2.377 261 HB2 SER 30 HB2 SER 30 -5.090 0.979 0.036 262 HB3 SER 30 HB3 SER 30 -5.628 -0.690 0.179 263 HG SER 30 HG SER 30 -6.671 1.288 -1.270 264 H ARG 31 H ARG 31 -8.651 1.358 0.867 265 HA ARG 31 HA ARG 31 -8.328 4.213 1.225 266 HB2 ARG 31 HB2 ARG 31 -10.510 4.460 0.267 267 HB3 ARG 31 HB3 ARG 31 -9.658 3.236 -0.664 268 HG2 ARG 31 HG2 ARG 31 -11.006 1.471 0.205 269 HG3 ARG 31 HG3 ARG 31 -11.616 2.472 1.528 270 HD2 ARG 31 HD2 ARG 31 -12.230 2.851 -1.426 271 HD3 ARG 31 HD3 ARG 31 -13.330 2.188 -0.209 272 HE ARG 31 HE ARG 31 -12.541 4.675 0.728 273 HH11 ARG 31 HH11 ARG 31 -14.311 3.534 -2.008 274 HH12 ARG 31 HH12 ARG 31 -15.197 5.009 -2.168 275 HH21 ARG 31 HH21 ARG 31 -13.660 6.534 0.497 276 HH22 ARG 31 HH22 ARG 31 -14.835 6.686 -0.764 277 H LYS 32 H LYS 32 -9.011 1.790 3.444 278 HA LYS 32 HA LYS 32 -10.103 3.838 5.299 279 HB2 LYS 32 HB2 LYS 32 -10.140 0.797 5.544 280 HB3 LYS 32 HB3 LYS 32 -10.626 1.912 6.822 281 HG2 LYS 32 HG2 LYS 32 -12.349 2.837 5.156 282 HG3 LYS 32 HG3 LYS 32 -11.982 1.427 4.153 283 HD2 LYS 32 HD2 LYS 32 -12.730 -0.081 5.907 284 HD3 LYS 32 HD3 LYS 32 -12.904 1.261 7.044 285 HE2 LYS 32 HE2 LYS 32 -14.551 0.841 4.524 286 HE3 LYS 32 HE3 LYS 32 -15.095 0.557 6.178 287 HZ1 LYS 32 HZ1 LYS 32 -14.729 2.944 6.612 288 HZ2 LYS 32 HZ2 LYS 32 -15.893 2.663 5.421 289 HZ3 LYS 32 HZ3 LYS 32 -14.342 3.165 4.978 290 H ARG 33 H ARG 33 -8.462 4.819 6.278 291 HA ARG 33 HA ARG 33 -6.304 3.284 7.599 292 HB2 ARG 33 HB2 ARG 33 -5.938 5.834 5.951 293 HB3 ARG 33 HB3 ARG 33 -4.710 5.186 7.029 294 HG2 ARG 33 HG2 ARG 33 -5.783 3.666 4.626 295 HG3 ARG 33 HG3 ARG 33 -4.386 4.737 4.547 296 HD2 ARG 33 HD2 ARG 33 -3.330 2.698 4.845 297 HD3 ARG 33 HD3 ARG 33 -3.495 3.199 6.525 298 HE ARG 33 HE ARG 33 -5.665 1.564 5.522 299 HH11 ARG 33 HH11 ARG 33 -2.665 1.542 7.256 300 HH12 ARG 33 HH12 ARG 33 -2.856 -0.100 7.756 301 HH21 ARG 33 HH21 ARG 33 -5.891 -0.504 6.199 302 HH22 ARG 33 HH22 ARG 33 -4.665 -1.241 7.175 303 H GLY 34 H GLY 34 -5.254 4.604 9.347 304 HA2 GLY 34 HA2 GLY 34 -7.086 5.858 11.114 305 HA3 GLY 34 HA3 GLY 34 -5.340 5.833 11.285 306 H ILE 35 H ILE 35 -4.580 7.262 8.959 307 HA ILE 35 HA ILE 35 -5.723 9.968 9.434 308 HB ILE 35 HB ILE 35 -3.676 10.964 8.616 309 HG12 ILE 35 HG12 ILE 35 -2.518 8.169 8.163 310 HG13 ILE 35 HG13 ILE 35 -3.127 9.198 6.874 311 HG21 ILE 35 HG21 ILE 35 -2.077 10.232 10.345 312 HG22 ILE 35 HG22 ILE 35 -3.029 8.774 10.617 313 HG23 ILE 35 HG23 ILE 35 -3.713 10.359 10.988 314 HD11 ILE 35 HD11 ILE 35 -0.805 9.838 8.677 315 HD12 ILE 35 HD12 ILE 35 -1.414 10.851 7.366 316 HD13 ILE 35 HD13 ILE 35 -0.713 9.274 7.011 317 H LEU 36 H LEU 36 -6.193 11.318 7.660 318 HA LEU 36 HA LEU 36 -7.352 9.972 5.407 319 HB2 LEU 36 HB2 LEU 36 -7.203 12.924 6.092 320 HB3 LEU 36 HB3 LEU 36 -8.057 12.295 4.698 321 HG LEU 36 HG LEU 36 -9.726 12.711 6.338 322 HD11 LEU 36 HD11 LEU 36 -10.719 10.531 6.792 323 HD12 LEU 36 HD12 LEU 36 -9.183 9.736 6.434 324 HD13 LEU 36 HD13 LEU 36 -10.047 10.603 5.164 325 HD21 LEU 36 HD21 LEU 36 -8.086 11.192 8.391 326 HD22 LEU 36 HD22 LEU 36 -9.693 11.877 8.650 327 HD23 LEU 36 HD23 LEU 36 -8.326 12.941 8.326 328 H GLU 37 H GLU 37 -4.284 11.577 5.886 329 HA GLU 37 HA GLU 37 -3.686 12.205 3.172 330 HB2 GLU 37 HB2 GLU 37 -1.831 11.635 5.520 331 HB3 GLU 37 HB3 GLU 37 -1.264 12.165 3.935 332 HG2 GLU 37 HG2 GLU 37 -2.652 14.230 4.178 333 HG3 GLU 37 HG3 GLU 37 -3.080 13.711 5.810 334 H THR 38 H THR 38 -2.731 9.367 5.138 335 HA THR 38 HA THR 38 -1.660 7.863 2.939 336 HB THR 38 HB THR 38 -2.491 6.829 5.685 337 HG1 THR 38 HG1 THR 38 0.127 7.115 5.473 338 HG21 THR 38 HG21 THR 38 -0.821 5.039 5.266 339 HG22 THR 38 HG22 THR 38 -0.536 5.680 3.646 340 HG23 THR 38 HG23 THR 38 -2.109 4.991 4.058 341 H ASP 39 H ASP 39 -4.821 8.104 4.458 342 HA ASP 39 HA ASP 39 -6.195 5.890 3.482 343 HB2 ASP 39 HB2 ASP 39 -7.014 7.675 5.095 344 HB3 ASP 39 HB3 ASP 39 -7.294 8.729 3.719 345 H LEU 40 H LEU 40 -5.965 9.119 1.942 346 HA LEU 40 HA LEU 40 -7.138 8.367 -0.558 347 HB2 LEU 40 HB2 LEU 40 -5.470 10.786 0.224 348 HB3 LEU 40 HB3 LEU 40 -6.319 10.629 -1.310 349 HG LEU 40 HG LEU 40 -7.650 10.722 1.434 350 HD11 LEU 40 HD11 LEU 40 -7.531 12.870 -0.710 351 HD12 LEU 40 HD12 LEU 40 -6.694 12.893 0.845 352 HD13 LEU 40 HD13 LEU 40 -8.453 12.949 0.797 353 HD21 LEU 40 HD21 LEU 40 -8.918 10.666 -1.332 354 HD22 LEU 40 HD22 LEU 40 -9.779 10.880 0.196 355 HD23 LEU 40 HD23 LEU 40 -8.948 9.364 -0.140 356 H LEU 41 H LEU 41 -3.802 8.542 0.613 357 HA LEU 41 HA LEU 41 -2.393 8.338 -1.820 358 HB2 LEU 41 HB2 LEU 41 -1.314 8.888 0.338 359 HB3 LEU 41 HB3 LEU 41 -1.609 7.254 0.914 360 HG LEU 41 HG LEU 41 -0.058 6.355 -0.813 361 HD11 LEU 41 HD11 LEU 41 -0.349 8.041 -2.561 362 HD12 LEU 41 HD12 LEU 41 1.352 7.828 -2.164 363 HD13 LEU 41 HD13 LEU 41 0.483 9.245 -1.570 364 HD21 LEU 41 HD21 LEU 41 0.829 6.882 1.419 365 HD22 LEU 41 HD22 LEU 41 1.215 8.525 0.895 366 HD23 LEU 41 HD23 LEU 41 2.050 7.145 0.174 367 H LEU 42 H LEU 42 -3.238 5.703 0.449 368 HA LEU 42 HA LEU 42 -2.488 3.595 -1.344 369 HB2 LEU 42 HB2 LEU 42 -3.954 3.562 1.311 370 HB3 LEU 42 HB3 LEU 42 -3.568 2.102 0.409 371 HG LEU 42 HG LEU 42 -1.561 4.062 1.597 372 HD11 LEU 42 HD11 LEU 42 -0.930 2.203 3.063 373 HD12 LEU 42 HD12 LEU 42 -2.208 1.200 2.369 374 HD13 LEU 42 HD13 LEU 42 -2.618 2.658 3.279 375 HD21 LEU 42 HD21 LEU 42 0.199 2.497 0.837 376 HD22 LEU 42 HD22 LEU 42 -0.680 3.196 -0.518 377 HD23 LEU 42 HD23 LEU 42 -1.016 1.537 -0.016 378 H SER 43 H SER 43 -5.518 5.291 -0.719 379 HA SER 43 HA SER 43 -7.321 3.484 -1.954 380 HB2 SER 43 HB2 SER 43 -8.126 5.449 -0.698 381 HB3 SER 43 HB3 SER 43 -7.438 6.536 -1.904 382 HG SER 43 HG SER 43 -9.401 6.367 -2.683 383 H GLY 44 H GLY 44 -5.656 6.334 -3.383 384 HA2 GLY 44 HA2 GLY 44 -6.358 5.865 -6.092 385 HA3 GLY 44 HA3 GLY 44 -5.026 6.865 -5.526 386 H PHE 45 H PHE 45 -3.513 4.914 -4.187 387 HA PHE 45 HA PHE 45 -1.963 3.697 -6.194 388 HB2 PHE 45 HB2 PHE 45 -1.061 4.247 -3.961 389 HB3 PHE 45 HB3 PHE 45 -2.112 3.053 -3.214 390 HD1 PHE 45 HD1 PHE 45 0.738 3.425 -5.602 391 HD2 PHE 45 HD2 PHE 45 -1.377 0.778 -2.996 392 HE1 PHE 45 HE1 PHE 45 2.486 1.727 -5.893 393 HE2 PHE 45 HE2 PHE 45 0.388 -0.911 -3.300 394 HZ PHE 45 HZ PHE 45 2.316 -0.438 -4.746 395 H ALA 46 H ALA 46 -4.492 2.348 -4.082 396 HA ALA 46 HA ALA 46 -4.223 -0.352 -4.979 397 HB1 ALA 46 HB1 ALA 46 -5.162 0.199 -2.777 398 HB2 ALA 46 HB2 ALA 46 -6.277 -0.790 -3.723 399 HB3 ALA 46 HB3 ALA 46 -6.562 0.945 -3.551 400 H ALA 47 H ALA 47 -6.263 2.342 -5.929 401 HA ALA 47 HA ALA 47 -8.075 0.963 -7.615 402 HB1 ALA 47 HB1 ALA 47 -8.652 3.217 -8.445 403 HB2 ALA 47 HB2 ALA 47 -7.212 3.882 -7.667 404 HB3 ALA 47 HB3 ALA 47 -8.512 3.201 -6.686 405 H LYS 48 H LYS 48 -4.941 2.499 -8.240 406 HA LYS 48 HA LYS 48 -5.018 2.007 -11.114 407 HB2 LYS 48 HB2 LYS 48 -3.977 4.074 -10.326 408 HB3 LYS 48 HB3 LYS 48 -2.861 3.170 -9.307 409 HG2 LYS 48 HG2 LYS 48 -1.816 2.191 -11.344 410 HG3 LYS 48 HG3 LYS 48 -2.918 3.132 -12.351 411 HD2 LYS 48 HD2 LYS 48 -0.872 4.307 -10.427 412 HD3 LYS 48 HD3 LYS 48 -0.636 4.132 -12.168 413 HE2 LYS 48 HE2 LYS 48 -2.633 5.630 -12.520 414 HE3 LYS 48 HE3 LYS 48 -2.692 5.881 -10.773 415 HZ1 LYS 48 HZ1 LYS 48 -1.521 7.655 -11.879 416 HZ2 LYS 48 HZ2 LYS 48 -0.423 6.563 -12.555 417 HZ3 LYS 48 HZ3 LYS 48 -0.458 6.800 -10.882 418 H TYR 49 H TYR 49 -2.955 0.920 -8.386 419 HA TYR 49 HA TYR 49 -1.347 -0.752 -10.068 420 HB2 TYR 49 HB2 TYR 49 -1.296 -0.171 -7.102 421 HB3 TYR 49 HB3 TYR 49 -0.320 -1.476 -7.773 422 HD1 TYR 49 HD1 TYR 49 -1.009 2.196 -8.294 423 HD2 TYR 49 HD2 TYR 49 1.833 -0.986 -8.617 424 HE1 TYR 49 HE1 TYR 49 0.738 3.806 -8.945 425 HE2 TYR 49 HE2 TYR 49 3.567 0.626 -9.251 426 HH TYR 49 HH TYR 49 3.303 3.901 -8.836 427 H LEU 50 H LEU 50 -3.608 -1.605 -7.332 428 HA LEU 50 HA LEU 50 -3.249 -4.383 -7.481 429 HB2 LEU 50 HB2 LEU 50 -5.487 -2.688 -6.428 430 HB3 LEU 50 HB3 LEU 50 -5.818 -4.395 -6.650 431 HG LEU 50 HG LEU 50 -3.676 -4.796 -5.227 432 HD11 LEU 50 HD11 LEU 50 -4.254 -2.002 -4.293 433 HD12 LEU 50 HD12 LEU 50 -2.850 -2.485 -5.250 434 HD13 LEU 50 HD13 LEU 50 -3.075 -3.130 -3.623 435 HD21 LEU 50 HD21 LEU 50 -6.154 -3.695 -3.899 436 HD22 LEU 50 HD22 LEU 50 -4.939 -4.737 -3.159 437 HD23 LEU 50 HD23 LEU 50 -5.931 -5.350 -4.476 438 H LYS 51 H LYS 51 -5.180 -2.366 -9.530 439 HA LYS 51 HA LYS 51 -6.875 -4.274 -10.733 440 HB2 LYS 51 HB2 LYS 51 -7.174 -1.813 -10.806 441 HB3 LYS 51 HB3 LYS 51 -5.771 -1.670 -11.856 442 HG2 LYS 51 HG2 LYS 51 -6.923 -2.820 -13.654 443 HG3 LYS 51 HG3 LYS 51 -8.286 -3.202 -12.599 444 HD2 LYS 51 HD2 LYS 51 -7.438 -0.398 -13.447 445 HD3 LYS 51 HD3 LYS 51 -8.787 -1.306 -14.137 446 HE2 LYS 51 HE2 LYS 51 -9.934 -1.280 -11.951 447 HE3 LYS 51 HE3 LYS 51 -8.568 -0.427 -11.228 448 HZ1 LYS 51 HZ1 LYS 51 -9.000 1.419 -12.720 449 HZ2 LYS 51 HZ2 LYS 51 -10.348 1.075 -11.764 450 HZ3 LYS 51 HZ3 LYS 51 -10.317 0.599 -13.385 451 H LYS 52 H LYS 52 -3.500 -3.454 -11.359 452 HA LYS 52 HA LYS 52 -3.336 -5.465 -13.551 453 HB2 LYS 52 HB2 LYS 52 -1.612 -2.969 -13.203 454 HB3 LYS 52 HB3 LYS 52 -1.525 -4.124 -14.534 455 HG2 LYS 52 HG2 LYS 52 -3.813 -3.473 -15.244 456 HG3 LYS 52 HG3 LYS 52 -3.891 -2.317 -13.913 457 HD2 LYS 52 HD2 LYS 52 -1.944 -2.223 -16.255 458 HD3 LYS 52 HD3 LYS 52 -3.365 -1.196 -16.046 459 HE2 LYS 52 HE2 LYS 52 -0.931 -1.241 -14.221 460 HE3 LYS 52 HE3 LYS 52 -1.289 -0.009 -15.432 461 HZ1 LYS 52 HZ1 LYS 52 -1.905 0.654 -13.168 462 HZ2 LYS 52 HZ2 LYS 52 -3.009 -0.622 -13.088 463 HZ3 LYS 52 HZ3 LYS 52 -3.240 0.624 -14.205 464 H MET 53 H MET 53 -2.429 -4.977 -10.362 465 HA MET 53 HA MET 53 0.325 -5.683 -10.351 466 HB2 MET 53 HB2 MET 53 -0.906 -4.338 -8.562 467 HB3 MET 53 HB3 MET 53 -1.677 -5.832 -8.041 468 HG2 MET 53 HG2 MET 53 0.661 -6.748 -7.722 469 HG3 MET 53 HG3 MET 53 1.233 -5.101 -7.923 470 HE1 MET 53 HE1 MET 53 0.783 -3.153 -6.139 471 HE2 MET 53 HE2 MET 53 -0.252 -3.353 -4.725 472 HE3 MET 53 HE3 MET 53 -0.963 -3.340 -6.345 473 H ASN 54 H ASN 54 1.274 -7.655 -9.580 474 HA ASN 54 HA ASN 54 -0.061 -10.063 -10.454 475 HB2 ASN 54 HB2 ASN 54 2.662 -9.667 -9.134 476 HB3 ASN 54 HB3 ASN 54 2.107 -11.156 -9.898 477 HD21 ASN 54 HD21 ASN 54 4.349 -9.243 -10.482 478 HD22 ASN 54 HD22 ASN 54 4.183 -8.886 -12.160 479 H GLU 55 H GLU 55 -0.449 -11.905 -9.191 480 HA GLU 55 HA GLU 55 -1.811 -11.611 -6.781 481 HB2 GLU 55 HB2 GLU 55 -0.521 -14.161 -7.850 482 HB3 GLU 55 HB3 GLU 55 -1.900 -14.060 -6.753 483 HG2 GLU 55 HG2 GLU 55 -3.277 -13.068 -8.505 484 HG3 GLU 55 HG3 GLU 55 -1.902 -13.001 -9.603 485 H GLU 56 H GLU 56 1.513 -12.681 -7.365 486 HA GLU 56 HA GLU 56 2.366 -13.327 -4.774 487 HB2 GLU 56 HB2 GLU 56 4.668 -12.966 -5.689 488 HB3 GLU 56 HB3 GLU 56 3.650 -13.949 -6.739 489 HG2 GLU 56 HG2 GLU 56 3.225 -11.963 -8.170 490 HG3 GLU 56 HG3 GLU 56 4.280 -11.002 -7.136 491 H GLU 57 H GLU 57 2.256 -10.159 -6.383 492 HA GLU 57 HA GLU 57 3.589 -8.697 -4.279 493 HB2 GLU 57 HB2 GLU 57 1.899 -7.723 -6.608 494 HB3 GLU 57 HB3 GLU 57 2.845 -6.678 -5.551 495 HG2 GLU 57 HG2 GLU 57 4.918 -7.705 -6.342 496 HG3 GLU 57 HG3 GLU 57 4.001 -8.845 -7.333 497 H LEU 58 H LEU 58 0.201 -9.406 -5.078 498 HA LEU 58 HA LEU 58 -1.112 -7.495 -3.492 499 HB2 LEU 58 HB2 LEU 58 -2.022 -10.286 -4.276 500 HB3 LEU 58 HB3 LEU 58 -3.074 -9.080 -3.542 501 HG LEU 58 HG LEU 58 -1.726 -8.868 -6.268 502 HD11 LEU 58 HD11 LEU 58 -3.995 -8.930 -7.171 503 HD12 LEU 58 HD12 LEU 58 -4.654 -9.144 -5.543 504 HD13 LEU 58 HD13 LEU 58 -3.625 -10.391 -6.256 505 HD21 LEU 58 HD21 LEU 58 -3.539 -6.852 -4.901 506 HD22 LEU 58 HD22 LEU 58 -2.940 -6.755 -6.561 507 HD23 LEU 58 HD23 LEU 58 -1.812 -6.659 -5.215 508 H GLU 59 H GLU 59 0.126 -10.685 -2.506 509 HA GLU 59 HA GLU 59 -0.963 -10.596 0.157 510 HB2 GLU 59 HB2 GLU 59 0.586 -12.522 0.588 511 HB3 GLU 59 HB3 GLU 59 -0.469 -12.736 -0.804 512 HG2 GLU 59 HG2 GLU 59 1.501 -11.952 -2.238 513 HG3 GLU 59 HG3 GLU 59 2.498 -12.140 -0.793 514 H GLU 60 H GLU 60 2.021 -9.442 -1.306 515 HA GLU 60 HA GLU 60 3.316 -8.651 1.134 516 HB2 GLU 60 HB2 GLU 60 4.513 -9.034 -1.031 517 HB3 GLU 60 HB3 GLU 60 3.733 -7.611 -1.708 518 HG2 GLU 60 HG2 GLU 60 4.942 -6.147 -0.238 519 HG3 GLU 60 HG3 GLU 60 5.526 -7.503 0.729 520 H TYR 61 H TYR 61 1.051 -7.074 -1.138 521 HA TYR 61 HA TYR 61 0.961 -4.527 0.078 522 HB2 TYR 61 HB2 TYR 61 0.052 -5.040 -2.204 523 HB3 TYR 61 HB3 TYR 61 -1.303 -5.875 -1.445 524 HD1 TYR 61 HD2 TYR 61 0.474 -2.573 -1.259 525 HD2 TYR 61 HD1 TYR 61 -3.299 -4.576 -1.100 526 HE1 TYR 61 HE2 TYR 61 -0.650 -0.419 -1.060 527 HE2 TYR 61 HE1 TYR 61 -4.431 -2.393 -0.881 528 HH TYR 61 HH TYR 61 -2.856 0.533 -1.551 529 H ASP 62 H ASP 62 -0.887 -7.479 0.700 530 HA ASP 62 HA ASP 62 -2.710 -6.615 2.619 531 HB2 ASP 62 HB2 ASP 62 -2.656 -8.898 1.627 532 HB3 ASP 62 HB3 ASP 62 -1.188 -9.263 2.530 533 H SER 63 H SER 63 0.660 -7.682 3.047 534 HA SER 63 HA SER 63 0.965 -7.353 5.819 535 HB2 SER 63 HB2 SER 63 3.086 -7.000 3.660 536 HB3 SER 63 HB3 SER 63 3.402 -7.301 5.370 537 HG SER 63 HG SER 63 1.724 -9.185 4.425 538 H LEU 64 H LEU 64 1.275 -4.959 3.191 539 HA LEU 64 HA LEU 64 2.345 -2.810 4.711 540 HB2 LEU 64 HB2 LEU 64 2.382 -2.974 2.208 541 HB3 LEU 64 HB3 LEU 64 0.655 -2.658 2.190 542 HG LEU 64 HG LEU 64 1.119 -0.416 3.266 543 HD11 LEU 64 HD11 LEU 64 4.030 -1.078 2.717 544 HD12 LEU 64 HD12 LEU 64 3.276 -0.873 4.301 545 HD13 LEU 64 HD13 LEU 64 3.407 0.502 3.208 546 HD21 LEU 64 HD21 LEU 64 2.417 -0.874 0.560 547 HD22 LEU 64 HD22 LEU 64 1.898 0.688 1.202 548 HD23 LEU 64 HD23 LEU 64 0.705 -0.564 0.863 549 H LEU 65 H LEU 65 -0.969 -3.862 4.089 550 HA LEU 65 HA LEU 65 -2.292 -1.583 5.219 551 HB2 LEU 65 HB2 LEU 65 -3.361 -4.400 4.808 552 HB3 LEU 65 HB3 LEU 65 -4.333 -2.960 5.095 553 HG LEU 65 HG LEU 65 -2.625 -3.512 2.631 554 HD11 LEU 65 HD11 LEU 65 -4.661 -4.846 2.663 555 HD12 LEU 65 HD12 LEU 65 -4.730 -3.615 1.403 556 HD13 LEU 65 HD13 LEU 65 -5.637 -3.392 2.903 557 HD21 LEU 65 HD21 LEU 65 -4.338 -1.079 3.242 558 HD22 LEU 65 HD22 LEU 65 -3.557 -1.429 1.696 559 HD23 LEU 65 HD23 LEU 65 -2.574 -1.125 3.126 560 H ASN 66 H ASN 66 -0.798 -4.388 6.635 561 HA ASN 66 HA ASN 66 -1.997 -4.052 9.273 562 HB2 ASN 66 HB2 ASN 66 0.331 -5.780 8.325 563 HB3 ASN 66 HB3 ASN 66 -0.276 -5.772 9.978 564 HD21 ASN 66 HD21 ASN 66 -0.878 -6.833 6.734 565 HD22 ASN 66 HD22 ASN 66 -2.226 -7.839 7.093 566 H GLU 67 H GLU 67 0.426 -2.373 7.579 567 HA GLU 67 HA GLU 67 2.108 -1.701 9.868 568 HB2 GLU 67 HB2 GLU 67 2.090 -0.421 7.090 569 HB3 GLU 67 HB3 GLU 67 3.350 -0.254 8.313 570 HG2 GLU 67 HG2 GLU 67 2.616 -2.778 6.796 571 HG3 GLU 67 HG3 GLU 67 4.039 -1.778 6.534 572 H LEU 68 H LEU 68 2.546 0.640 10.339 573 HA LEU 68 HA LEU 68 0.109 2.014 11.056 574 HB2 LEU 68 HB2 LEU 68 3.020 2.829 11.402 575 HB3 LEU 68 HB3 LEU 68 1.649 3.693 12.091 576 HG LEU 68 HG LEU 68 2.459 0.838 12.795 577 HD11 LEU 68 HD11 LEU 68 4.068 2.480 13.641 578 HD12 LEU 68 HD12 LEU 68 3.154 1.752 14.958 579 HD13 LEU 68 HD13 LEU 68 2.763 3.386 14.416 580 HD21 LEU 68 HD21 LEU 68 0.753 0.994 14.582 581 HD22 LEU 68 HD22 LEU 68 0.026 1.142 12.986 582 HD23 LEU 68 HD23 LEU 68 0.262 2.581 13.981 583 H ASP 69 H ASP 69 -0.755 3.751 10.164 584 HA ASP 69 HA ASP 69 -0.668 4.265 7.470 585 HB2 ASP 69 HB2 ASP 69 -1.498 6.430 9.433 586 HB3 ASP 69 HB3 ASP 69 -2.194 6.058 7.857 587 H TRP 70 H TRP 70 0.695 6.476 9.966 588 HA TRP 70 HA TRP 70 1.895 8.369 8.327 589 HB2 TRP 70 HB2 TRP 70 2.627 7.405 11.110 590 HB3 TRP 70 HB3 TRP 70 3.531 8.694 10.322 591 HD1 TRP 70 HD1 TRP 70 0.596 8.239 12.529 592 HE1 TRP 70 HE1 TRP 70 -0.769 10.411 12.647 593 HE3 TRP 70 HE3 TRP 70 2.662 10.750 8.559 594 HZ2 TRP 70 HZ2 TRP 70 -0.967 12.851 11.260 595 HZ3 TRP 70 HZ3 TRP 70 1.814 12.996 8.019 596 HH2 TRP 70 HH2 TRP 70 0.033 14.023 9.338 597 H ASP 71 H ASP 71 3.327 5.319 9.556 598 HA ASP 71 HA ASP 71 5.955 5.712 8.584 599 HB2 ASP 71 HB2 ASP 71 4.418 3.156 9.228 600 HB3 ASP 71 HB3 ASP 71 6.150 3.205 8.885 601 H ILE 72 H ILE 72 3.185 3.955 7.145 602 HA ILE 72 HA ILE 72 4.240 3.068 4.717 603 HB ILE 72 HB ILE 72 1.441 4.210 5.184 604 HG12 ILE 72 HG12 ILE 72 2.295 1.283 5.378 605 HG13 ILE 72 HG13 ILE 72 2.084 2.338 6.770 606 HG21 ILE 72 HG21 ILE 72 2.387 2.314 3.000 607 HG22 ILE 72 HG22 ILE 72 1.907 3.998 2.783 608 HG23 ILE 72 HG23 ILE 72 0.713 2.800 3.278 609 HD11 ILE 72 HD11 ILE 72 0.156 0.903 6.453 610 HD12 ILE 72 HD12 ILE 72 -0.078 1.529 4.822 611 HD13 ILE 72 HD13 ILE 72 -0.293 2.593 6.216 612 H TYR 73 H TYR 73 2.787 6.200 5.501 613 HA TYR 73 HA TYR 73 2.923 7.471 2.995 614 HB2 TYR 73 HB2 TYR 73 1.485 8.224 4.849 615 HB3 TYR 73 HB3 TYR 73 2.892 8.621 5.818 616 HD1 TYR 73 HD2 TYR 73 0.813 9.681 2.928 617 HD2 TYR 73 HD1 TYR 73 4.114 10.717 5.453 618 HE1 TYR 73 HE2 TYR 73 0.751 11.987 2.076 619 HE2 TYR 73 HE1 TYR 73 4.046 13.016 4.597 620 HH TYR 73 HH TYR 73 1.448 14.264 2.901 621 H TYR 74 H TYR 74 5.226 7.449 5.738 622 HA TYR 74 HA TYR 74 6.996 9.428 4.673 623 HB2 TYR 74 HB2 TYR 74 7.396 7.394 6.898 624 HB3 TYR 74 HB3 TYR 74 8.563 8.651 6.505 625 HD1 TYR 74 HD1 TYR 74 6.797 11.024 6.049 626 HD2 TYR 74 HD2 TYR 74 6.603 7.990 9.047 627 HE1 TYR 74 HE1 TYR 74 5.687 12.597 7.579 628 HE2 TYR 74 HE2 TYR 74 5.492 9.556 10.565 629 HH TYR 74 HH TYR 74 5.285 11.936 10.912 630 H TRP 75 H TRP 75 7.107 5.848 4.667 631 HA TRP 75 HA TRP 75 9.683 5.568 3.504 632 HB2 TRP 75 HB2 TRP 75 7.340 3.647 3.229 633 HB3 TRP 75 HB3 TRP 75 9.028 3.265 2.929 634 HD1 TRP 75 HD1 TRP 75 10.178 4.612 5.690 635 HE1 TRP 75 HE1 TRP 75 9.789 3.330 7.879 636 HE3 TRP 75 HE3 TRP 75 6.259 1.665 4.229 637 HZ2 TRP 75 HZ2 TRP 75 8.065 1.336 8.865 638 HZ3 TRP 75 HZ3 TRP 75 5.296 0.089 5.859 639 HH2 TRP 75 HH2 TRP 75 6.182 -0.072 8.134 640 H ALA 76 H ALA 76 6.475 5.917 2.125 641 HA ALA 76 HA ALA 76 7.091 5.555 -0.623 642 HB1 ALA 76 HB1 ALA 76 4.822 7.123 0.651 643 HB2 ALA 76 HB2 ALA 76 4.815 5.388 0.338 644 HB3 ALA 76 HB3 ALA 76 4.872 6.523 -1.011 645 H THR 77 H THR 77 6.570 8.540 1.284 646 HA THR 77 HA THR 77 7.294 10.299 -0.920 647 HB THR 77 HB THR 77 6.715 12.156 0.635 648 HG1 THR 77 HG1 THR 77 5.671 10.584 2.628 649 HG21 THR 77 HG21 THR 77 4.634 9.931 0.617 650 HG22 THR 77 HG22 THR 77 4.888 11.119 -0.667 651 HG23 THR 77 HG23 THR 77 4.310 11.638 0.918 652 H LYS 78 H LYS 78 9.181 8.583 1.092 653 HA LYS 78 HA LYS 78 11.390 8.538 1.514 654 HB2 LYS 78 HB2 LYS 78 11.535 11.033 -0.223 655 HB3 LYS 78 HB3 LYS 78 12.928 10.084 0.298 656 HG2 LYS 78 HG2 LYS 78 10.656 8.975 -1.383 657 HG3 LYS 78 HG3 LYS 78 12.148 9.638 -2.056 658 HD2 LYS 78 HD2 LYS 78 13.458 7.895 -0.916 659 HD3 LYS 78 HD3 LYS 78 11.990 7.257 -0.162 660 HE2 LYS 78 HE2 LYS 78 12.734 5.941 -2.144 661 HE3 LYS 78 HE3 LYS 78 11.108 6.596 -2.322 662 HZ1 LYS 78 HZ1 LYS 78 11.906 8.267 -3.764 663 HZ2 LYS 78 HZ2 LYS 78 12.552 6.801 -4.305 664 HZ3 LYS 78 HZ3 LYS 78 13.523 7.882 -3.446 665 H ASN 79 H ASN 79 9.479 10.209 3.172 666 HA ASN 79 HA ASN 79 11.243 12.117 4.527 667 HB2 ASN 79 HB2 ASN 79 8.337 11.363 5.060 668 HB3 ASN 79 HB3 ASN 79 9.218 12.644 5.891 669 HD21 ASN 79 HD21 ASN 79 6.798 12.829 4.295 670 HD22 ASN 79 HD22 ASN 79 7.142 13.936 3.020 671 H PHE 80 H PHE 80 12.580 9.979 4.887 672 HA PHE 80 HA PHE 80 11.823 8.247 7.065 673 HB2 PHE 80 HB2 PHE 80 14.583 8.653 5.845 674 HB3 PHE 80 HB3 PHE 80 14.083 7.301 6.856 675 HD1 PHE 80 HD1 PHE 80 12.270 5.705 5.960 676 HD2 PHE 80 HD2 PHE 80 14.238 8.590 3.486 677 HE1 PHE 80 HE1 PHE 80 11.575 4.472 3.945 678 HE2 PHE 80 HE2 PHE 80 13.536 7.349 1.490 679 HZ PHE 80 HZ PHE 80 12.201 5.298 1.707 680 H LYS 81 H LYS 81 12.660 11.392 7.154 681 HA LYS 81 HA LYS 81 14.584 11.874 9.058 682 HB2 LYS 81 HB2 LYS 81 13.449 14.054 9.368 683 HB3 LYS 81 HB3 LYS 81 13.518 13.598 7.668 684 HG2 LYS 81 HG2 LYS 81 11.119 12.742 7.933 685 HG3 LYS 81 HG3 LYS 81 11.105 13.531 9.510 686 HD2 LYS 81 HD2 LYS 81 11.467 14.887 6.803 687 HD3 LYS 81 HD3 LYS 81 10.026 14.941 7.813 688 HE2 LYS 81 HE2 LYS 81 10.992 17.002 8.307 689 HE3 LYS 81 HE3 LYS 81 11.678 16.018 9.594 690 HZ1 LYS 81 HZ1 LYS 81 13.313 17.440 8.518 691 HZ2 LYS 81 HZ2 LYS 81 13.036 16.678 7.036 692 HZ3 LYS 81 HZ3 LYS 81 13.703 15.809 8.322 693 H THR 82 H THR 82 11.353 10.617 9.638 694 HA THR 82 HA THR 82 11.796 10.677 12.568 695 HB THR 82 HB THR 82 10.147 12.391 12.146 696 HG1 THR 82 HG1 THR 82 9.752 10.980 13.945 697 HG21 THR 82 HG21 THR 82 7.982 11.939 11.028 698 HG22 THR 82 HG22 THR 82 8.530 10.313 10.623 699 HG23 THR 82 HG23 THR 82 9.340 11.716 9.921 700 H SER 83 H SER 83 10.234 8.963 9.839 701 HA SER 83 HA SER 83 10.249 6.475 11.465 702 HB2 SER 83 HB2 SER 83 8.443 7.169 9.109 703 HB3 SER 83 HB3 SER 83 8.534 5.571 9.855 704 HG SER 83 HG SER 83 6.979 6.404 11.025 705 HA PRO 84 HA PRO 84 13.578 5.620 8.383 706 HB2 PRO 84 HB2 PRO 84 14.858 3.707 9.852 707 HB3 PRO 84 HB3 PRO 84 15.051 5.436 10.182 708 HG2 PRO 84 HG2 PRO 84 13.227 3.445 11.551 709 HG3 PRO 84 HG3 PRO 84 14.321 4.635 12.291 710 HD2 PRO 84 HD2 PRO 84 11.664 5.123 12.023 711 HD3 PRO 84 HD3 PRO 84 12.870 6.424 11.872 712 H LEU 85 H LEU 85 14.120 3.708 7.107 713 HA LEU 85 HA LEU 85 11.807 2.052 6.562 714 HB2 LEU 85 HB2 LEU 85 13.212 3.107 4.756 715 HB3 LEU 85 HB3 LEU 85 14.528 2.032 5.202 716 HG LEU 85 HG LEU 85 13.058 0.065 4.637 717 HD11 LEU 85 HD11 LEU 85 10.856 1.104 4.943 718 HD12 LEU 85 HD12 LEU 85 10.999 0.409 3.333 719 HD13 LEU 85 HD13 LEU 85 11.138 2.155 3.550 720 HD21 LEU 85 HD21 LEU 85 13.523 2.010 2.351 721 HD22 LEU 85 HD22 LEU 85 13.257 0.269 2.192 722 HD23 LEU 85 HD23 LEU 85 14.701 0.868 3.007 723 HA PRO 86 HA PRO 86 13.562 -1.443 8.952 724 HB2 PRO 86 HB2 PRO 86 11.107 -2.947 8.359 725 HB3 PRO 86 HB3 PRO 86 11.638 -2.266 9.899 726 HG2 PRO 86 HG2 PRO 86 9.483 -1.302 8.503 727 HG3 PRO 86 HG3 PRO 86 10.471 -0.295 9.585 728 HD2 PRO 86 HD2 PRO 86 10.613 -0.539 6.571 729 HD3 PRO 86 HD3 PRO 86 10.641 0.925 7.585 730 H ASP 87 H ASP 87 13.998 -3.739 8.565 731 HA ASP 87 HA ASP 87 15.200 -4.241 6.046 732 HB2 ASP 87 HB2 ASP 87 14.608 -6.239 8.278 733 HB3 ASP 87 HB3 ASP 87 15.787 -6.449 6.985 734 H LYS 88 H LYS 88 12.123 -5.218 7.419 735 HA LYS 88 HA LYS 88 11.342 -7.240 5.619 736 HB2 LYS 88 HB2 LYS 88 9.022 -6.779 6.426 737 HB3 LYS 88 HB3 LYS 88 10.188 -6.943 7.733 738 HG2 LYS 88 HG2 LYS 88 10.273 -4.476 7.965 739 HG3 LYS 88 HG3 LYS 88 9.092 -4.317 6.665 740 HD2 LYS 88 HD2 LYS 88 8.599 -5.715 9.330 741 HD3 LYS 88 HD3 LYS 88 8.064 -4.082 8.924 742 HE2 LYS 88 HE2 LYS 88 6.653 -5.014 7.102 743 HE3 LYS 88 HE3 LYS 88 7.178 -6.641 7.539 744 HZ1 LYS 88 HZ1 LYS 88 5.621 -4.769 9.225 745 HZ2 LYS 88 HZ2 LYS 88 6.196 -6.275 9.741 746 HZ3 LYS 88 HZ3 LYS 88 5.059 -6.185 8.494 747 H TRP 89 H TRP 89 11.205 -3.707 5.240 748 HA TRP 89 HA TRP 89 9.772 -3.995 2.663 749 HB2 TRP 89 HB2 TRP 89 10.286 -1.493 4.321 750 HB3 TRP 89 HB3 TRP 89 9.439 -1.519 2.771 751 HD1 TRP 89 HD1 TRP 89 8.714 -1.714 6.389 752 HE1 TRP 89 HE1 TRP 89 6.345 -2.621 6.807 753 HE3 TRP 89 HE3 TRP 89 7.630 -3.430 1.692 754 HZ2 TRP 89 HZ2 TRP 89 4.302 -3.913 5.360 755 HZ3 TRP 89 HZ3 TRP 89 5.447 -4.493 1.290 756 HH2 TRP 89 HH2 TRP 89 3.814 -4.726 3.091 757 H ALA 90 H ALA 90 12.910 -3.409 3.918 758 HA ALA 90 HA ALA 90 14.193 -1.975 1.887 759 HB1 ALA 90 HB1 ALA 90 16.265 -3.041 2.673 760 HB2 ALA 90 HB2 ALA 90 15.323 -4.266 3.532 761 HB3 ALA 90 HB3 ALA 90 15.243 -2.576 4.038 762 H ASN 91 H ASN 91 13.162 -5.337 1.929 763 HA ASN 91 HA ASN 91 14.554 -6.000 -0.593 764 HB2 ASN 91 HB2 ASN 91 13.052 -7.772 1.387 765 HB3 ASN 91 HB3 ASN 91 13.941 -8.346 -0.024 766 HD21 ASN 91 HD21 ASN 91 14.316 -8.832 2.897 767 HD22 ASN 91 HD22 ASN 91 15.966 -8.431 3.204 768 H SER 92 H SER 92 11.572 -4.737 0.239 769 HA SER 92 HA SER 92 9.821 -6.496 -1.275 770 HB2 SER 92 HB2 SER 92 9.269 -3.889 0.199 771 HB3 SER 92 HB3 SER 92 8.027 -4.905 -0.553 772 HG SER 92 HG SER 92 8.869 -6.628 0.818 773 H LYS 93 H LYS 93 9.088 -6.250 -3.279 774 HA LYS 93 HA LYS 93 9.924 -4.211 -5.102 775 HB2 LYS 93 HB2 LYS 93 9.365 -6.550 -5.754 776 HB3 LYS 93 HB3 LYS 93 7.678 -6.256 -5.352 777 HG2 LYS 93 HG2 LYS 93 7.546 -4.567 -7.151 778 HG3 LYS 93 HG3 LYS 93 9.244 -4.847 -7.543 779 HD2 LYS 93 HD2 LYS 93 7.043 -6.947 -7.739 780 HD3 LYS 93 HD3 LYS 93 7.650 -5.995 -9.091 781 HE2 LYS 93 HE2 LYS 93 8.726 -8.114 -9.239 782 HE3 LYS 93 HE3 LYS 93 9.944 -7.004 -8.630 783 HZ1 LYS 93 HZ1 LYS 93 9.877 -9.203 -7.523 784 HZ2 LYS 93 HZ2 LYS 93 8.358 -8.814 -6.900 785 HZ3 LYS 93 HZ3 LYS 93 9.709 -7.904 -6.455 786 H LEU 94 H LEU 94 6.923 -4.886 -3.364 787 HA LEU 94 HA LEU 94 5.112 -3.063 -4.352 788 HB2 LEU 94 HB2 LEU 94 4.540 -4.777 -2.700 789 HB3 LEU 94 HB3 LEU 94 5.537 -3.980 -1.493 790 HG LEU 94 HG LEU 94 3.943 -1.949 -1.755 791 HD11 LEU 94 HD11 LEU 94 1.690 -2.383 -2.543 792 HD12 LEU 94 HD12 LEU 94 2.140 -4.020 -3.027 793 HD13 LEU 94 HD13 LEU 94 2.860 -2.625 -3.840 794 HD21 LEU 94 HD21 LEU 94 2.929 -4.497 -0.487 795 HD22 LEU 94 HD22 LEU 94 2.342 -2.868 -0.144 796 HD23 LEU 94 HD23 LEU 94 4.004 -3.302 0.244 797 H LEU 95 H LEU 95 7.507 -2.522 -1.760 798 HA LEU 95 HA LEU 95 6.868 0.060 -0.954 799 HB2 LEU 95 HB2 LEU 95 8.578 -1.332 0.170 800 HB3 LEU 95 HB3 LEU 95 9.634 -1.174 -1.228 801 HG LEU 95 HG LEU 95 9.630 1.356 -0.814 802 HD11 LEU 95 HD11 LEU 95 7.631 1.516 0.567 803 HD12 LEU 95 HD12 LEU 95 9.033 2.179 1.400 804 HD13 LEU 95 HD13 LEU 95 8.415 0.587 1.851 805 HD21 LEU 95 HD21 LEU 95 10.856 -0.367 1.349 806 HD22 LEU 95 HD22 LEU 95 11.336 1.278 0.919 807 HD23 LEU 95 HD23 LEU 95 11.551 -0.032 -0.240 808 H LYS 96 H LYS 96 9.018 -0.976 -3.570 809 HA LYS 96 HA LYS 96 9.879 1.578 -4.466 810 HB2 LYS 96 HB2 LYS 96 9.745 -1.054 -5.999 811 HB3 LYS 96 HB3 LYS 96 10.711 0.353 -6.451 812 HG2 LYS 96 HG2 LYS 96 12.105 0.097 -4.469 813 HG3 LYS 96 HG3 LYS 96 11.075 -1.209 -3.869 814 HD2 LYS 96 HD2 LYS 96 11.705 -2.591 -5.843 815 HD3 LYS 96 HD3 LYS 96 12.763 -1.293 -6.407 816 HE2 LYS 96 HE2 LYS 96 14.035 -3.068 -5.261 817 HE3 LYS 96 HE3 LYS 96 14.153 -1.541 -4.387 818 HZ1 LYS 96 HZ1 LYS 96 12.504 -2.326 -2.829 819 HZ2 LYS 96 HZ2 LYS 96 13.778 -3.433 -2.914 820 HZ3 LYS 96 HZ3 LYS 96 12.315 -3.768 -3.692 821 H GLN 97 H GLN 97 7.175 -0.518 -5.443 822 HA GLN 97 HA GLN 97 6.124 0.930 -7.624 823 HB2 GLN 97 HB2 GLN 97 4.601 -0.689 -5.523 824 HB3 GLN 97 HB3 GLN 97 3.961 -0.212 -7.090 825 HG2 GLN 97 HG2 GLN 97 6.401 -1.987 -6.817 826 HG3 GLN 97 HG3 GLN 97 4.763 -2.632 -6.806 827 HE21 GLN 97 HE21 GLN 97 5.198 -3.848 -8.676 828 HE22 GLN 97 HE22 GLN 97 5.300 -3.119 -10.239 829 H LEU 98 H LEU 98 5.537 1.218 -4.133 830 HA LEU 98 HA LEU 98 3.499 3.232 -4.285 831 HB2 LEU 98 HB2 LEU 98 3.647 1.586 -2.437 832 HB3 LEU 98 HB3 LEU 98 5.168 2.294 -1.923 833 HG LEU 98 HG LEU 98 3.984 4.417 -1.360 834 HD11 LEU 98 HD11 LEU 98 2.121 4.332 -2.916 835 HD12 LEU 98 HD12 LEU 98 1.527 4.509 -1.267 836 HD13 LEU 98 HD13 LEU 98 1.436 2.937 -2.072 837 HD21 LEU 98 HD21 LEU 98 4.363 2.739 0.388 838 HD22 LEU 98 HD22 LEU 98 2.805 1.990 0.023 839 HD23 LEU 98 HD23 LEU 98 2.869 3.633 0.668 840 H GLN 99 H GLN 99 6.991 3.292 -3.787 841 HA GLN 99 HA GLN 99 7.286 6.051 -3.150 842 HB2 GLN 99 HB2 GLN 99 9.231 4.032 -4.336 843 HB3 GLN 99 HB3 GLN 99 9.707 5.664 -3.861 844 HG2 GLN 99 HG2 GLN 99 9.166 5.223 -1.545 845 HG3 GLN 99 HG3 GLN 99 8.448 3.667 -1.950 846 HE21 GLN 99 HE21 GLN 99 10.641 4.324 -0.093 847 HE22 GLN 99 HE22 GLN 99 11.983 3.359 -0.603 848 H GLU 100 H GLU 100 7.332 4.300 -6.262 849 HA GLU 100 HA GLU 100 7.839 6.552 -7.935 850 HB2 GLU 100 HB2 GLU 100 6.448 3.927 -8.610 851 HB3 GLU 100 HB3 GLU 100 6.958 5.126 -9.799 852 HG2 GLU 100 HG2 GLU 100 8.771 3.548 -7.953 853 HG3 GLU 100 HG3 GLU 100 8.538 3.267 -9.673 854 H PHE 101 H PHE 101 4.843 5.130 -6.683 855 HA PHE 101 HA PHE 101 3.058 6.743 -8.242 856 HB2 PHE 101 HB2 PHE 101 2.301 4.619 -7.259 857 HB3 PHE 101 HB3 PHE 101 2.565 5.241 -5.632 858 HD1 PHE 101 HD2 PHE 101 0.509 5.775 -8.725 859 HD2 PHE 101 HD1 PHE 101 0.808 6.441 -4.502 860 HE1 PHE 101 HE2 PHE 101 -1.780 6.673 -8.696 861 HE2 PHE 101 HE1 PHE 101 -1.482 7.343 -4.490 862 HZ PHE 101 HZ PHE 101 -2.774 7.463 -6.583 863 H SER 102 H SER 102 4.113 6.990 -4.818 864 HA SER 102 HA SER 102 2.372 9.041 -4.018 865 HB2 SER 102 HB2 SER 102 3.865 9.257 -2.029 866 HB3 SER 102 HB3 SER 102 3.504 7.573 -2.413 867 HG SER 102 HG SER 102 5.546 7.239 -2.759 868 H GLU 103 H GLU 103 5.751 9.237 -5.068 869 HA GLU 103 HA GLU 103 6.028 12.060 -4.655 870 HB2 GLU 103 HB2 GLU 103 7.772 10.123 -6.238 871 HB3 GLU 103 HB3 GLU 103 8.235 11.754 -5.747 872 HG2 GLU 103 HG2 GLU 103 8.024 11.069 -3.361 873 HG3 GLU 103 HG3 GLU 103 7.623 9.433 -3.877 874 H ASN 104 H ASN 104 4.839 10.131 -7.314 875 HA ASN 104 HA ASN 104 4.960 12.445 -9.188 876 HB2 ASN 104 HB2 ASN 104 5.077 9.473 -9.865 877 HB3 ASN 104 HB3 ASN 104 5.098 10.790 -11.039 878 HD21 ASN 104 HD21 ASN 104 6.927 9.136 -8.565 879 HD22 ASN 104 HD22 ASN 104 8.461 9.788 -9.000 880 H LYS 105 H LYS 105 2.662 11.155 -7.307 881 HA LYS 105 HA LYS 105 0.598 10.619 -9.263 882 HB2 LYS 105 HB2 LYS 105 -0.958 10.388 -7.302 883 HB3 LYS 105 HB3 LYS 105 0.424 9.310 -7.306 884 HG2 LYS 105 HG2 LYS 105 0.337 9.940 -5.087 885 HG3 LYS 105 HG3 LYS 105 1.532 11.065 -5.728 886 HD2 LYS 105 HD2 LYS 105 -0.276 12.794 -5.914 887 HD3 LYS 105 HD3 LYS 105 -1.398 11.652 -5.166 888 HE2 LYS 105 HE2 LYS 105 -0.032 11.643 -3.114 889 HE3 LYS 105 HE3 LYS 105 1.130 12.739 -3.871 890 HZ1 LYS 105 HZ1 LYS 105 -0.631 14.390 -4.064 891 HZ2 LYS 105 HZ2 LYS 105 -0.375 13.941 -2.455 892 HZ3 LYS 105 HZ3 LYS 105 -1.717 13.345 -3.292 893 H GLU 106 H GLU 106 1.871 13.443 -8.241 894 HA GLU 106 HA GLU 106 -0.515 15.082 -8.758 895 HB2 GLU 106 HB2 GLU 106 2.352 15.885 -8.067 896 HB3 GLU 106 HB3 GLU 106 0.956 16.967 -8.126 897 HG2 GLU 106 HG2 GLU 106 1.143 14.578 -6.261 898 HG3 GLU 106 HG3 GLU 106 1.677 16.204 -5.806 899 H LYS 107 H LYS 107 2.021 13.630 -10.468 900 HA LYS 107 HA LYS 107 3.221 13.926 -12.333 901 HB2 LYS 107 HB2 LYS 107 0.933 13.082 -12.994 902 HB3 LYS 107 HB3 LYS 107 0.535 14.728 -13.477 903 HG2 LYS 107 HG2 LYS 107 2.399 14.680 -15.116 904 HG3 LYS 107 HG3 LYS 107 2.762 13.022 -14.632 905 HD2 LYS 107 HD2 LYS 107 1.485 12.943 -16.675 906 HD3 LYS 107 HD3 LYS 107 0.458 12.359 -15.360 907 HE2 LYS 107 HE2 LYS 107 -0.749 14.471 -15.295 908 HE3 LYS 107 HE3 LYS 107 0.376 15.203 -16.442 909 HZ1 LYS 107 HZ1 LYS 107 -1.697 14.539 -17.477 910 HZ2 LYS 107 HZ2 LYS 107 -1.434 12.932 -17.039 911 HZ3 LYS 107 HZ3 LYS 107 -0.394 13.694 -18.133 912 H GLU 108 H GLU 108 4.584 15.664 -11.802 913 HA GLU 108 HA GLU 108 4.249 18.062 -13.439 914 HB2 GLU 108 HB2 GLU 108 4.764 19.587 -11.544 915 HB3 GLU 108 HB3 GLU 108 3.250 18.726 -11.288 916 HG2 GLU 108 HG2 GLU 108 4.383 17.176 -9.740 917 HG3 GLU 108 HG3 GLU 108 5.913 18.012 -10.013 918 H ILE 109 H ILE 109 6.393 19.523 -12.867 919 HA ILE 109 HA ILE 109 8.636 17.940 -13.758 920 HB ILE 109 HB ILE 109 8.481 20.891 -13.005 921 HG12 ILE 109 HG12 ILE 109 8.339 19.539 -15.747 922 HG13 ILE 109 HG13 ILE 109 6.998 20.309 -14.906 923 HG21 ILE 109 HG21 ILE 109 10.606 21.179 -14.247 924 HG22 ILE 109 HG22 ILE 109 10.700 19.435 -14.498 925 HG23 ILE 109 HG23 ILE 109 10.808 20.098 -12.866 926 HD11 ILE 109 HD11 ILE 109 8.127 22.478 -15.113 927 HD12 ILE 109 HD12 ILE 109 7.843 21.719 -16.678 928 HD13 ILE 109 HD13 ILE 109 9.458 21.697 -15.973 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -26.486 -14.352 -27.830 2 H2 MET 1 H2 MET 1 -25.393 -15.049 -28.915 3 H3 MET 1 H3 MET 1 -26.339 -13.731 -29.396 4 HA MET 1 HA MET 1 -25.252 -12.301 -27.835 5 HB2 MET 1 HB2 MET 1 -24.763 -13.973 -26.100 6 HB3 MET 1 HB3 MET 1 -23.602 -14.771 -27.154 7 HG2 MET 1 HG2 MET 1 -22.530 -13.383 -25.406 8 HG3 MET 1 HG3 MET 1 -22.110 -12.859 -27.040 9 HE1 MET 1 HE1 MET 1 -21.203 -10.575 -25.960 10 HE2 MET 1 HE2 MET 1 -21.719 -11.051 -24.340 11 HE3 MET 1 HE3 MET 1 -22.200 -9.485 -24.996 12 H GLY 2 H GLY 2 -23.123 -14.803 -29.283 13 HA2 GLY 2 HA2 GLY 2 -22.412 -13.901 -31.690 14 HA3 GLY 2 HA3 GLY 2 -21.537 -12.762 -30.668 15 H HIS 3 H HIS 3 -20.810 -15.177 -32.508 16 HA HIS 3 HA HIS 3 -19.648 -17.169 -30.793 17 HB2 HIS 3 HB2 HIS 3 -20.497 -17.679 -33.068 18 HB3 HIS 3 HB3 HIS 3 -19.216 -16.698 -33.770 19 HD1 HIS 3 HD1 HIS 3 -17.682 -18.342 -34.860 20 HD2 HIS 3 HD2 HIS 3 -18.902 -19.647 -31.109 21 HE1 HIS 3 HE1 HIS 3 -16.390 -20.444 -34.433 22 HE2 HIS 3 HE2 HIS 3 -17.011 -21.117 -32.097 23 H HIS 4 H HIS 4 -18.392 -14.276 -32.358 24 HA HIS 4 HA HIS 4 -15.615 -14.854 -31.487 25 HB2 HIS 4 HB2 HIS 4 -16.633 -12.641 -33.324 26 HB3 HIS 4 HB3 HIS 4 -14.945 -13.028 -32.994 27 HD1 HIS 4 HD1 HIS 4 -17.578 -13.681 -35.368 28 HD2 HIS 4 HD2 HIS 4 -14.267 -15.776 -33.974 29 HE1 HIS 4 HE1 HIS 4 -17.142 -15.457 -37.086 30 HE2 HIS 4 HE2 HIS 4 -15.021 -16.565 -36.315 31 H HIS 5 H HIS 5 -14.528 -13.534 -30.074 32 HA HIS 5 HA HIS 5 -14.107 -12.126 -28.356 33 HB2 HIS 5 HB2 HIS 5 -15.813 -10.172 -29.947 34 HB3 HIS 5 HB3 HIS 5 -14.667 -9.733 -28.687 35 HD1 HIS 5 HD1 HIS 5 -14.916 -9.914 -32.242 36 HD2 HIS 5 HD2 HIS 5 -11.889 -10.652 -29.495 37 HE1 HIS 5 HE1 HIS 5 -12.788 -9.809 -33.555 38 HE2 HIS 5 HE2 HIS 5 -10.999 -10.440 -31.910 39 H HIS 6 H HIS 6 -15.264 -13.402 -26.807 40 HA HIS 6 HA HIS 6 -18.042 -12.794 -26.156 41 HB2 HIS 6 HB2 HIS 6 -16.055 -14.786 -24.977 42 HB3 HIS 6 HB3 HIS 6 -17.720 -14.624 -24.426 43 HD1 HIS 6 HD1 HIS 6 -19.400 -16.037 -25.616 44 HD2 HIS 6 HD2 HIS 6 -15.923 -15.598 -27.834 45 HE1 HIS 6 HE1 HIS 6 -19.690 -17.522 -27.603 46 HE2 HIS 6 HE2 HIS 6 -17.499 -17.392 -28.819 47 H HIS 7 H HIS 7 -18.049 -10.714 -25.348 48 HA HIS 7 HA HIS 7 -16.477 -10.059 -22.931 49 HB2 HIS 7 HB2 HIS 7 -17.418 -7.677 -23.391 50 HB3 HIS 7 HB3 HIS 7 -16.201 -8.308 -24.492 51 HD1 HIS 7 HD1 HIS 7 -19.973 -7.810 -24.330 52 HD2 HIS 7 HD2 HIS 7 -16.948 -8.324 -27.134 53 HE1 HIS 7 HE1 HIS 7 -21.051 -7.428 -26.565 54 HE2 HIS 7 HE2 HIS 7 -19.174 -7.600 -28.225 55 H HIS 8 H HIS 8 -17.404 -9.708 -20.968 56 HA HIS 8 HA HIS 8 -20.178 -10.567 -20.561 57 HB2 HIS 8 HB2 HIS 8 -17.965 -9.972 -18.545 58 HB3 HIS 8 HB3 HIS 8 -19.543 -10.646 -18.148 59 HD1 HIS 8 HD1 HIS 8 -20.039 -13.050 -19.385 60 HD2 HIS 8 HD2 HIS 8 -16.060 -11.887 -19.039 61 HE1 HIS 8 HE1 HIS 8 -18.696 -15.147 -19.710 62 HE2 HIS 8 HE2 HIS 8 -16.299 -14.398 -19.631 63 H SER 9 H SER 9 -21.617 -9.405 -19.106 64 HA SER 9 HA SER 9 -21.193 -6.481 -18.836 65 HB2 SER 9 HB2 SER 9 -22.518 -6.681 -20.868 66 HB3 SER 9 HB3 SER 9 -23.628 -7.819 -20.105 67 HG SER 9 HG SER 9 -23.327 -5.044 -19.600 68 H HIS 10 H HIS 10 -23.872 -8.806 -18.191 69 HA HIS 10 HA HIS 10 -24.204 -7.750 -15.475 70 HB2 HIS 10 HB2 HIS 10 -25.810 -9.746 -17.128 71 HB3 HIS 10 HB3 HIS 10 -26.203 -9.343 -15.458 72 HD1 HIS 10 HD1 HIS 10 -25.263 -6.924 -18.259 73 HD2 HIS 10 HD2 HIS 10 -28.484 -7.849 -15.799 74 HE1 HIS 10 HE1 HIS 10 -26.967 -5.141 -18.694 75 HE2 HIS 10 HE2 HIS 10 -28.845 -5.644 -17.100 76 H MET 11 H MET 11 -22.041 -8.540 -14.857 77 HA MET 11 HA MET 11 -21.923 -11.431 -14.190 78 HB2 MET 11 HB2 MET 11 -20.127 -10.721 -15.710 79 HB3 MET 11 HB3 MET 11 -19.659 -9.428 -14.612 80 HG2 MET 11 HG2 MET 11 -18.100 -11.304 -14.468 81 HG3 MET 11 HG3 MET 11 -18.955 -11.094 -12.941 82 HE1 MET 11 HE1 MET 11 -20.094 -12.870 -16.344 83 HE2 MET 11 HE2 MET 11 -19.726 -14.545 -15.933 84 HE3 MET 11 HE3 MET 11 -18.420 -13.370 -16.099 85 H ILE 12 H ILE 12 -23.125 -11.229 -12.272 86 HA ILE 12 HA ILE 12 -21.779 -9.914 -9.964 87 HB ILE 12 HB ILE 12 -24.657 -10.938 -10.202 88 HG12 ILE 12 HG12 ILE 12 -23.652 -8.054 -10.078 89 HG13 ILE 12 HG13 ILE 12 -24.249 -8.853 -11.527 90 HG21 ILE 12 HG21 ILE 12 -23.842 -11.165 -7.888 91 HG22 ILE 12 HG22 ILE 12 -25.061 -9.895 -7.989 92 HG23 ILE 12 HG23 ILE 12 -23.352 -9.467 -7.876 93 HD11 ILE 12 HD11 ILE 12 -25.862 -8.240 -9.046 94 HD12 ILE 12 HD12 ILE 12 -26.469 -9.046 -10.497 95 HD13 ILE 12 HD13 ILE 12 -25.919 -7.374 -10.582 96 H LYS 13 H LYS 13 -20.772 -11.251 -8.514 97 HA LYS 13 HA LYS 13 -19.928 -13.056 -7.466 98 HB2 LYS 13 HB2 LYS 13 -22.257 -13.383 -6.686 99 HB3 LYS 13 HB3 LYS 13 -22.613 -14.340 -8.120 100 HG2 LYS 13 HG2 LYS 13 -20.922 -16.027 -7.353 101 HG3 LYS 13 HG3 LYS 13 -20.709 -15.090 -5.872 102 HD2 LYS 13 HD2 LYS 13 -23.302 -16.385 -6.815 103 HD3 LYS 13 HD3 LYS 13 -22.259 -16.991 -5.525 104 HE2 LYS 13 HE2 LYS 13 -22.729 -14.994 -4.176 105 HE3 LYS 13 HE3 LYS 13 -23.703 -14.312 -5.480 106 HZ1 LYS 13 HZ1 LYS 13 -25.010 -15.359 -3.716 107 HZ2 LYS 13 HZ2 LYS 13 -24.320 -16.855 -4.092 108 HZ3 LYS 13 HZ3 LYS 13 -25.281 -16.055 -5.229 109 H ARG 14 H ARG 14 -18.210 -13.581 -8.767 110 HA ARG 14 HA ARG 14 -18.403 -14.802 -11.327 111 HB2 ARG 14 HB2 ARG 14 -16.487 -13.371 -10.563 112 HB3 ARG 14 HB3 ARG 14 -15.954 -14.680 -9.511 113 HG2 ARG 14 HG2 ARG 14 -15.497 -16.106 -11.437 114 HG3 ARG 14 HG3 ARG 14 -16.192 -14.912 -12.536 115 HD2 ARG 14 HD2 ARG 14 -14.382 -13.315 -11.898 116 HD3 ARG 14 HD3 ARG 14 -13.671 -14.568 -10.872 117 HE ARG 14 HE ARG 14 -13.819 -15.783 -13.280 118 HH11 ARG 14 HH11 ARG 14 -12.411 -12.751 -12.345 119 HH12 ARG 14 HH12 ARG 14 -11.233 -12.814 -13.607 120 HH21 ARG 14 HH21 ARG 14 -12.351 -15.802 -14.866 121 HH22 ARG 14 HH22 ARG 14 -11.208 -14.520 -15.019 122 H THR 15 H THR 15 -17.349 -16.176 -8.161 123 HA THR 15 HA THR 15 -18.559 -18.749 -8.816 124 HB THR 15 HB THR 15 -15.576 -18.655 -8.147 125 HG1 THR 15 HG1 THR 15 -17.000 -19.037 -10.555 126 HG21 THR 15 HG21 THR 15 -15.615 -21.102 -8.533 127 HG22 THR 15 HG22 THR 15 -17.369 -21.040 -8.725 128 HG23 THR 15 HG23 THR 15 -16.637 -20.646 -7.168 129 H ASN 16 H ASN 16 -16.060 -17.929 -6.373 130 HA ASN 16 HA ASN 16 -18.048 -17.993 -4.186 131 HB2 ASN 16 HB2 ASN 16 -17.186 -20.297 -4.341 132 HB3 ASN 16 HB3 ASN 16 -15.525 -19.722 -4.320 133 HD21 ASN 16 HD21 ASN 16 -14.612 -19.081 -2.333 134 HD22 ASN 16 HD22 ASN 16 -15.365 -19.428 -0.819 135 H GLU 17 H GLU 17 -14.469 -17.903 -4.492 136 HA GLU 17 HA GLU 17 -14.426 -15.057 -3.736 137 HB2 GLU 17 HB2 GLU 17 -14.012 -16.366 -1.645 138 HB3 GLU 17 HB3 GLU 17 -12.665 -17.185 -2.429 139 HG2 GLU 17 HG2 GLU 17 -11.512 -14.985 -2.665 140 HG3 GLU 17 HG3 GLU 17 -12.846 -14.219 -1.799 141 HA PRO 18 HA PRO 18 -11.685 -15.788 -7.472 142 HB2 PRO 18 HB2 PRO 18 -12.394 -13.428 -8.714 143 HB3 PRO 18 HB3 PRO 18 -13.303 -14.932 -8.910 144 HG2 PRO 18 HG2 PRO 18 -13.850 -12.633 -7.024 145 HG3 PRO 18 HG3 PRO 18 -14.978 -13.467 -8.120 146 HD2 PRO 18 HD2 PRO 18 -14.903 -14.108 -5.512 147 HD3 PRO 18 HD3 PRO 18 -15.109 -15.377 -6.738 148 H LEU 19 H LEU 19 -9.996 -14.307 -8.318 149 HA LEU 19 HA LEU 19 -8.379 -13.081 -6.343 150 HB2 LEU 19 HB2 LEU 19 -8.000 -13.993 -8.937 151 HB3 LEU 19 HB3 LEU 19 -7.926 -12.267 -9.194 152 HG LEU 19 HG LEU 19 -5.699 -13.366 -8.904 153 HD11 LEU 19 HD11 LEU 19 -4.720 -11.736 -7.355 154 HD12 LEU 19 HD12 LEU 19 -6.337 -11.301 -6.790 155 HD13 LEU 19 HD13 LEU 19 -5.871 -10.989 -8.464 156 HD21 LEU 19 HD21 LEU 19 -6.539 -13.802 -6.022 157 HD22 LEU 19 HD22 LEU 19 -4.966 -14.170 -6.735 158 HD23 LEU 19 HD23 LEU 19 -6.392 -15.066 -7.247 159 H ASP 20 H ASP 20 -10.809 -11.876 -8.514 160 HA ASP 20 HA ASP 20 -10.533 -9.095 -8.296 161 HB2 ASP 20 HB2 ASP 20 -13.107 -10.698 -8.593 162 HB3 ASP 20 HB3 ASP 20 -12.873 -9.013 -9.060 163 H LYS 21 H LYS 21 -12.250 -11.405 -6.129 164 HA LYS 21 HA LYS 21 -13.315 -9.405 -4.368 165 HB2 LYS 21 HB2 LYS 21 -12.962 -12.398 -4.055 166 HB3 LYS 21 HB3 LYS 21 -13.458 -11.411 -2.683 167 HG2 LYS 21 HG2 LYS 21 -15.374 -10.574 -4.164 168 HG3 LYS 21 HG3 LYS 21 -14.946 -11.883 -5.274 169 HD2 LYS 21 HD2 LYS 21 -15.313 -13.534 -3.456 170 HD3 LYS 21 HD3 LYS 21 -15.728 -12.223 -2.346 171 HE2 LYS 21 HE2 LYS 21 -17.654 -11.641 -3.829 172 HE3 LYS 21 HE3 LYS 21 -17.262 -13.036 -4.839 173 HZ1 LYS 21 HZ1 LYS 21 -17.597 -14.441 -2.881 174 HZ2 LYS 21 HZ2 LYS 21 -18.990 -13.588 -3.298 175 HZ3 LYS 21 HZ3 LYS 21 -18.054 -13.088 -1.983 176 H LYS 22 H LYS 22 -10.304 -11.306 -4.352 177 HA LYS 22 HA LYS 22 -9.302 -10.510 -1.830 178 HB2 LYS 22 HB2 LYS 22 -8.275 -12.313 -3.250 179 HB3 LYS 22 HB3 LYS 22 -7.684 -11.073 -4.355 180 HG2 LYS 22 HG2 LYS 22 -6.457 -10.085 -2.284 181 HG3 LYS 22 HG3 LYS 22 -6.825 -11.627 -1.502 182 HD2 LYS 22 HD2 LYS 22 -5.638 -12.764 -3.442 183 HD3 LYS 22 HD3 LYS 22 -5.151 -11.152 -3.979 184 HE2 LYS 22 HE2 LYS 22 -3.336 -12.164 -2.713 185 HE3 LYS 22 HE3 LYS 22 -3.997 -10.806 -1.800 186 HZ1 LYS 22 HZ1 LYS 22 -4.485 -13.690 -1.338 187 HZ2 LYS 22 HZ2 LYS 22 -5.334 -12.461 -0.548 188 HZ3 LYS 22 HZ3 LYS 22 -3.663 -12.611 -0.337 189 H ARG 23 H ARG 23 -8.825 -9.110 -5.077 190 HA ARG 23 HA ARG 23 -7.275 -6.870 -4.454 191 HB2 ARG 23 HB2 ARG 23 -9.270 -7.397 -6.681 192 HB3 ARG 23 HB3 ARG 23 -8.400 -5.865 -6.585 193 HG2 ARG 23 HG2 ARG 23 -6.286 -6.928 -6.869 194 HG3 ARG 23 HG3 ARG 23 -6.974 -8.538 -6.641 195 HD2 ARG 23 HD2 ARG 23 -8.195 -8.333 -8.755 196 HD3 ARG 23 HD3 ARG 23 -7.569 -6.695 -8.985 197 HE ARG 23 HE ARG 23 -5.294 -8.025 -8.790 198 HH11 ARG 23 HH11 ARG 23 -8.090 -8.996 -10.594 199 HH12 ARG 23 HH12 ARG 23 -7.141 -9.754 -11.823 200 HH21 ARG 23 HH21 ARG 23 -4.133 -8.981 -10.368 201 HH22 ARG 23 HH22 ARG 23 -4.936 -9.745 -11.693 202 H ALA 24 H ALA 24 -10.848 -7.033 -4.790 203 HA ALA 24 HA ALA 24 -11.471 -4.382 -4.127 204 HB1 ALA 24 HB1 ALA 24 -13.752 -5.211 -3.680 205 HB2 ALA 24 HB2 ALA 24 -13.144 -6.870 -3.624 206 HB3 ALA 24 HB3 ALA 24 -13.081 -5.957 -5.132 207 H ARG 25 H ARG 25 -11.012 -7.190 -2.029 208 HA ARG 25 HA ARG 25 -11.754 -6.070 0.464 209 HB2 ARG 25 HB2 ARG 25 -11.562 -8.504 -0.048 210 HB3 ARG 25 HB3 ARG 25 -9.812 -8.337 -0.130 211 HG2 ARG 25 HG2 ARG 25 -9.785 -7.705 2.285 212 HG3 ARG 25 HG3 ARG 25 -11.539 -7.933 2.341 213 HD2 ARG 25 HD2 ARG 25 -9.427 -10.047 1.788 214 HD3 ARG 25 HD3 ARG 25 -10.487 -9.940 3.194 215 HE ARG 25 HE ARG 25 -12.363 -10.278 1.526 216 HH11 ARG 25 HH11 ARG 25 -9.231 -11.659 0.941 217 HH12 ARG 25 HH12 ARG 25 -9.880 -12.957 0.008 218 HH21 ARG 25 HH21 ARG 25 -13.132 -11.884 0.278 219 HH22 ARG 25 HH22 ARG 25 -12.062 -13.088 -0.342 220 H LEU 26 H LEU 26 -8.584 -6.253 -1.186 221 HA LEU 26 HA LEU 26 -7.080 -5.129 1.006 222 HB2 LEU 26 HB2 LEU 26 -6.333 -5.392 -1.923 223 HB3 LEU 26 HB3 LEU 26 -5.228 -4.945 -0.635 224 HG LEU 26 HG LEU 26 -6.587 -7.663 -0.952 225 HD11 LEU 26 HD11 LEU 26 -3.689 -6.858 -1.308 226 HD12 LEU 26 HD12 LEU 26 -4.828 -7.287 -2.592 227 HD13 LEU 26 HD13 LEU 26 -4.343 -8.498 -1.407 228 HD21 LEU 26 HD21 LEU 26 -6.323 -7.097 1.423 229 HD22 LEU 26 HD22 LEU 26 -4.621 -6.704 1.165 230 HD23 LEU 26 HD23 LEU 26 -5.189 -8.366 0.960 231 H ILE 27 H ILE 27 -8.329 -3.802 -2.070 232 HA ILE 27 HA ILE 27 -7.698 -1.088 -1.752 233 HB ILE 27 HB ILE 27 -10.232 -2.227 -3.028 234 HG12 ILE 27 HG12 ILE 27 -7.600 -1.609 -4.433 235 HG13 ILE 27 HG13 ILE 27 -8.107 -3.219 -3.965 236 HG21 ILE 27 HG21 ILE 27 -10.278 -0.168 -4.403 237 HG22 ILE 27 HG22 ILE 27 -8.861 0.437 -3.541 238 HG23 ILE 27 HG23 ILE 27 -10.388 0.213 -2.679 239 HD11 ILE 27 HD11 ILE 27 -9.454 -1.444 -5.996 240 HD12 ILE 27 HD12 ILE 27 -10.034 -3.036 -5.497 241 HD13 ILE 27 HD13 ILE 27 -8.478 -2.882 -6.313 242 H TYR 28 H TYR 28 -10.341 -3.016 -0.376 243 HA TYR 28 HA TYR 28 -11.733 -0.928 0.983 244 HB2 TYR 28 HB2 TYR 28 -12.884 -2.992 0.568 245 HB3 TYR 28 HB3 TYR 28 -11.623 -3.940 1.341 246 HD1 TYR 28 HD2 TYR 28 -14.103 -1.223 2.212 247 HD2 TYR 28 HD1 TYR 28 -12.046 -4.746 3.505 248 HE1 TYR 28 HE2 TYR 28 -15.372 -1.198 4.317 249 HE2 TYR 28 HE1 TYR 28 -13.312 -4.712 5.606 250 HH TYR 28 HH TYR 28 -16.057 -2.833 6.075 251 H GLN 29 H GLN 29 -9.041 -3.067 1.951 252 HA GLN 29 HA GLN 29 -8.925 -2.084 4.681 253 HB2 GLN 29 HB2 GLN 29 -7.034 -3.854 3.093 254 HB3 GLN 29 HB3 GLN 29 -6.809 -3.462 4.798 255 HG2 GLN 29 HG2 GLN 29 -8.871 -4.619 5.382 256 HG3 GLN 29 HG3 GLN 29 -9.233 -4.909 3.681 257 HE21 GLN 29 HE21 GLN 29 -7.998 -6.463 2.544 258 HE22 GLN 29 HE22 GLN 29 -7.046 -7.649 3.362 259 H SER 30 H SER 30 -7.684 -0.905 1.686 260 HA SER 30 HA SER 30 -5.731 0.872 2.951 261 HB2 SER 30 HB2 SER 30 -5.427 1.831 0.696 262 HB3 SER 30 HB3 SER 30 -5.297 0.075 0.649 263 HG SER 30 HG SER 30 -7.485 1.681 -0.168 264 H ARG 31 H ARG 31 -9.031 0.967 1.703 265 HA ARG 31 HA ARG 31 -9.565 3.720 2.370 266 HB2 ARG 31 HB2 ARG 31 -11.340 1.358 1.659 267 HB3 ARG 31 HB3 ARG 31 -12.021 2.921 2.106 268 HG2 ARG 31 HG2 ARG 31 -10.958 3.996 0.198 269 HG3 ARG 31 HG3 ARG 31 -10.101 2.509 -0.216 270 HD2 ARG 31 HD2 ARG 31 -13.133 2.761 -0.205 271 HD3 ARG 31 HD3 ARG 31 -12.127 3.001 -1.637 272 HE ARG 31 HE ARG 31 -11.337 0.587 -0.918 273 HH11 ARG 31 HH11 ARG 31 -14.581 1.746 -1.063 274 HH12 ARG 31 HH12 ARG 31 -15.219 0.201 -1.501 275 HH21 ARG 31 HH21 ARG 31 -12.164 -1.357 -1.477 276 HH22 ARG 31 HH22 ARG 31 -13.860 -1.536 -1.722 277 H LYS 32 H LYS 32 -9.370 0.811 4.241 278 HA LYS 32 HA LYS 32 -10.316 2.260 6.641 279 HB2 LYS 32 HB2 LYS 32 -9.160 -0.552 6.365 280 HB3 LYS 32 HB3 LYS 32 -9.719 0.180 7.871 281 HG2 LYS 32 HG2 LYS 32 -12.015 0.385 6.794 282 HG3 LYS 32 HG3 LYS 32 -11.397 -0.601 5.462 283 HD2 LYS 32 HD2 LYS 32 -11.540 -1.415 8.388 284 HD3 LYS 32 HD3 LYS 32 -12.625 -1.969 7.110 285 HE2 LYS 32 HE2 LYS 32 -10.721 -3.089 5.983 286 HE3 LYS 32 HE3 LYS 32 -9.633 -2.517 7.249 287 HZ1 LYS 32 HZ1 LYS 32 -10.869 -3.820 8.852 288 HZ2 LYS 32 HZ2 LYS 32 -10.300 -4.799 7.598 289 HZ3 LYS 32 HZ3 LYS 32 -11.927 -4.355 7.645 290 H ARG 33 H ARG 33 -8.818 3.630 7.544 291 HA ARG 33 HA ARG 33 -6.014 2.849 7.835 292 HB2 ARG 33 HB2 ARG 33 -6.511 4.174 5.543 293 HB3 ARG 33 HB3 ARG 33 -6.496 5.575 6.595 294 HG2 ARG 33 HG2 ARG 33 -4.280 5.605 6.024 295 HG3 ARG 33 HG3 ARG 33 -4.151 4.470 7.365 296 HD2 ARG 33 HD2 ARG 33 -4.196 3.841 4.394 297 HD3 ARG 33 HD3 ARG 33 -2.883 3.560 5.538 298 HE ARG 33 HE ARG 33 -5.431 2.050 5.444 299 HH11 ARG 33 HH11 ARG 33 -2.057 2.097 6.291 300 HH12 ARG 33 HH12 ARG 33 -2.048 0.422 6.699 301 HH21 ARG 33 HH21 ARG 33 -5.358 -0.067 5.956 302 HH22 ARG 33 HH22 ARG 33 -3.883 -0.776 6.508 303 H GLY 34 H GLY 34 -4.793 4.594 9.180 304 HA2 GLY 34 HA2 GLY 34 -6.403 5.663 11.339 305 HA3 GLY 34 HA3 GLY 34 -4.676 5.883 11.101 306 H ILE 35 H ILE 35 -4.136 7.331 9.114 307 HA ILE 35 HA ILE 35 -5.779 9.787 9.218 308 HB ILE 35 HB ILE 35 -3.856 10.955 8.216 309 HG12 ILE 35 HG12 ILE 35 -2.411 8.253 8.267 310 HG13 ILE 35 HG13 ILE 35 -2.986 9.058 6.813 311 HG21 ILE 35 HG21 ILE 35 -3.976 10.746 10.662 312 HG22 ILE 35 HG22 ILE 35 -2.302 10.766 10.115 313 HG23 ILE 35 HG23 ILE 35 -3.050 9.242 10.597 314 HD11 ILE 35 HD11 ILE 35 -1.420 10.890 7.221 315 HD12 ILE 35 HD12 ILE 35 -0.613 9.328 7.081 316 HD13 ILE 35 HD13 ILE 35 -0.840 10.060 8.667 317 H LEU 36 H LEU 36 -6.349 10.946 7.332 318 HA LEU 36 HA LEU 36 -7.224 9.353 5.108 319 HB2 LEU 36 HB2 LEU 36 -7.432 12.319 5.691 320 HB3 LEU 36 HB3 LEU 36 -8.032 11.622 4.200 321 HG LEU 36 HG LEU 36 -9.908 11.914 5.650 322 HD11 LEU 36 HD11 LEU 36 -10.810 9.661 5.862 323 HD12 LEU 36 HD12 LEU 36 -9.196 8.973 5.665 324 HD13 LEU 36 HD13 LEU 36 -9.944 9.867 4.339 325 HD21 LEU 36 HD21 LEU 36 -8.450 10.374 7.820 326 HD22 LEU 36 HD22 LEU 36 -10.105 10.988 7.907 327 HD23 LEU 36 HD23 LEU 36 -8.756 12.113 7.797 328 H GLU 37 H GLU 37 -4.423 11.379 5.652 329 HA GLU 37 HA GLU 37 -3.635 11.930 3.012 330 HB2 GLU 37 HB2 GLU 37 -2.012 11.546 5.553 331 HB3 GLU 37 HB3 GLU 37 -1.246 11.955 4.024 332 HG2 GLU 37 HG2 GLU 37 -3.355 13.633 5.420 333 HG3 GLU 37 HG3 GLU 37 -1.618 13.923 5.477 334 H THR 38 H THR 38 -2.602 9.173 5.056 335 HA THR 38 HA THR 38 -1.309 7.758 2.917 336 HB THR 38 HB THR 38 -2.206 6.585 5.581 337 HG1 THR 38 HG1 THR 38 0.308 7.166 5.741 338 HG21 THR 38 HG21 THR 38 0.053 5.796 3.692 339 HG22 THR 38 HG22 THR 38 -1.454 4.902 3.908 340 HG23 THR 38 HG23 THR 38 -0.306 5.034 5.244 341 H ASP 39 H ASP 39 -4.557 7.745 4.284 342 HA ASP 39 HA ASP 39 -5.632 5.364 3.314 343 HB2 ASP 39 HB2 ASP 39 -6.747 7.052 4.847 344 HB3 ASP 39 HB3 ASP 39 -7.088 8.043 3.437 345 H LEU 40 H LEU 40 -5.699 8.573 1.709 346 HA LEU 40 HA LEU 40 -6.780 7.636 -0.769 347 HB2 LEU 40 HB2 LEU 40 -5.373 10.249 -0.117 348 HB3 LEU 40 HB3 LEU 40 -6.292 9.939 -1.585 349 HG LEU 40 HG LEU 40 -7.420 10.069 1.247 350 HD11 LEU 40 HD11 LEU 40 -6.835 12.269 0.366 351 HD12 LEU 40 HD12 LEU 40 -8.581 12.083 0.491 352 HD13 LEU 40 HD13 LEU 40 -7.797 11.971 -1.087 353 HD21 LEU 40 HD21 LEU 40 -9.651 9.822 0.207 354 HD22 LEU 40 HD22 LEU 40 -8.650 8.394 -0.035 355 HD23 LEU 40 HD23 LEU 40 -8.889 9.535 -1.362 356 H LEU 41 H LEU 41 -3.484 8.173 0.397 357 HA LEU 41 HA LEU 41 -2.033 7.943 -2.015 358 HB2 LEU 41 HB2 LEU 41 -1.053 8.644 0.176 359 HB3 LEU 41 HB3 LEU 41 -1.225 6.996 0.766 360 HG LEU 41 HG LEU 41 0.422 6.220 -0.958 361 HD11 LEU 41 HD11 LEU 41 1.782 7.836 -2.214 362 HD12 LEU 41 HD12 LEU 41 0.765 9.158 -1.638 363 HD13 LEU 41 HD13 LEU 41 0.085 7.911 -2.686 364 HD21 LEU 41 HD21 LEU 41 1.482 8.439 0.824 365 HD22 LEU 41 HD22 LEU 41 2.427 7.122 0.120 366 HD23 LEU 41 HD23 LEU 41 1.183 6.767 1.317 367 H LEU 42 H LEU 42 -2.940 5.403 0.335 368 HA LEU 42 HA LEU 42 -1.930 3.230 -1.249 369 HB2 LEU 42 HB2 LEU 42 -3.633 3.300 1.263 370 HB3 LEU 42 HB3 LEU 42 -3.129 1.798 0.496 371 HG LEU 42 HG LEU 42 -1.277 3.890 1.711 372 HD11 LEU 42 HD11 LEU 42 -0.730 2.173 3.363 373 HD12 LEU 42 HD12 LEU 42 -1.896 1.065 2.632 374 HD13 LEU 42 HD13 LEU 42 -2.450 2.558 3.393 375 HD21 LEU 42 HD21 LEU 42 0.564 2.316 1.214 376 HD22 LEU 42 HD22 LEU 42 -0.207 2.909 -0.252 377 HD23 LEU 42 HD23 LEU 42 -0.559 1.278 0.327 378 H SER 43 H SER 43 -5.147 4.685 -0.809 379 HA SER 43 HA SER 43 -6.620 2.535 -2.040 380 HB2 SER 43 HB2 SER 43 -7.437 5.394 -1.397 381 HB3 SER 43 HB3 SER 43 -8.546 4.187 -2.058 382 HG SER 43 HG SER 43 -7.784 4.550 0.483 383 H GLY 44 H GLY 44 -5.359 5.642 -3.260 384 HA2 GLY 44 HA2 GLY 44 -6.295 5.395 -5.954 385 HA3 GLY 44 HA3 GLY 44 -4.931 6.370 -5.416 386 H PHE 45 H PHE 45 -3.272 4.465 -4.341 387 HA PHE 45 HA PHE 45 -1.903 3.196 -6.459 388 HB2 PHE 45 HB2 PHE 45 -0.865 3.819 -4.296 389 HB3 PHE 45 HB3 PHE 45 -1.851 2.636 -3.456 390 HD1 PHE 45 HD1 PHE 45 1.084 3.118 -5.640 391 HD2 PHE 45 HD2 PHE 45 -1.279 0.240 -3.540 392 HE1 PHE 45 HE1 PHE 45 2.863 1.446 -5.905 393 HE2 PHE 45 HE2 PHE 45 0.511 -1.420 -3.814 394 HZ PHE 45 HZ PHE 45 2.584 -0.817 -4.994 395 H ALA 46 H ALA 46 -4.442 2.110 -4.309 396 HA ALA 46 HA ALA 46 -4.247 -0.674 -4.881 397 HB1 ALA 46 HB1 ALA 46 -5.103 0.192 -2.740 398 HB2 ALA 46 HB2 ALA 46 -6.246 -0.903 -3.519 399 HB3 ALA 46 HB3 ALA 46 -6.519 0.841 -3.574 400 H ALA 47 H ALA 47 -6.342 1.930 -6.039 401 HA ALA 47 HA ALA 47 -8.046 0.391 -7.694 402 HB1 ALA 47 HB1 ALA 47 -8.607 2.558 -8.747 403 HB2 ALA 47 HB2 ALA 47 -7.214 3.305 -7.958 404 HB3 ALA 47 HB3 ALA 47 -8.554 2.692 -6.988 405 H LYS 48 H LYS 48 -4.855 1.785 -8.256 406 HA LYS 48 HA LYS 48 -4.908 1.377 -11.148 407 HB2 LYS 48 HB2 LYS 48 -3.951 3.437 -10.147 408 HB3 LYS 48 HB3 LYS 48 -2.733 2.471 -9.321 409 HG2 LYS 48 HG2 LYS 48 -1.865 1.754 -11.574 410 HG3 LYS 48 HG3 LYS 48 -3.014 2.867 -12.323 411 HD2 LYS 48 HD2 LYS 48 -0.817 3.660 -10.368 412 HD3 LYS 48 HD3 LYS 48 -0.701 3.810 -12.120 413 HE2 LYS 48 HE2 LYS 48 -2.771 5.226 -10.405 414 HE3 LYS 48 HE3 LYS 48 -1.263 5.951 -10.963 415 HZ1 LYS 48 HZ1 LYS 48 -1.992 5.614 -13.243 416 HZ2 LYS 48 HZ2 LYS 48 -3.079 6.570 -12.375 417 HZ3 LYS 48 HZ3 LYS 48 -3.456 4.955 -12.698 418 H TYR 49 H TYR 49 -2.850 0.222 -8.436 419 HA TYR 49 HA TYR 49 -1.200 -1.369 -10.197 420 HB2 TYR 49 HB2 TYR 49 -1.107 -0.780 -7.220 421 HB3 TYR 49 HB3 TYR 49 -0.062 -2.004 -7.930 422 HD1 TYR 49 HD1 TYR 49 -0.993 1.619 -8.380 423 HD2 TYR 49 HD2 TYR 49 2.049 -1.367 -8.732 424 HE1 TYR 49 HE1 TYR 49 0.652 3.356 -8.959 425 HE2 TYR 49 HE2 TYR 49 3.690 0.371 -9.311 426 HH TYR 49 HH TYR 49 3.774 2.623 -10.195 427 H LEU 50 H LEU 50 -3.404 -2.162 -7.448 428 HA LEU 50 HA LEU 50 -2.960 -4.894 -7.235 429 HB2 LEU 50 HB2 LEU 50 -5.345 -3.179 -6.659 430 HB3 LEU 50 HB3 LEU 50 -5.619 -4.911 -6.685 431 HG LEU 50 HG LEU 50 -3.733 -5.118 -4.977 432 HD11 LEU 50 HD11 LEU 50 -3.110 -3.241 -3.658 433 HD12 LEU 50 HD12 LEU 50 -4.183 -2.180 -4.562 434 HD13 LEU 50 HD13 LEU 50 -2.751 -2.863 -5.345 435 HD21 LEU 50 HD21 LEU 50 -5.200 -4.553 -3.106 436 HD22 LEU 50 HD22 LEU 50 -6.063 -5.397 -4.386 437 HD23 LEU 50 HD23 LEU 50 -6.255 -3.652 -4.194 438 H LYS 51 H LYS 51 -5.042 -3.264 -9.525 439 HA LYS 51 HA LYS 51 -6.565 -5.458 -10.414 440 HB2 LYS 51 HB2 LYS 51 -6.884 -2.838 -10.637 441 HB3 LYS 51 HB3 LYS 51 -6.009 -3.037 -12.149 442 HG2 LYS 51 HG2 LYS 51 -8.416 -3.043 -12.540 443 HG3 LYS 51 HG3 LYS 51 -7.741 -4.629 -12.931 444 HD2 LYS 51 HD2 LYS 51 -8.531 -5.526 -10.773 445 HD3 LYS 51 HD3 LYS 51 -9.138 -3.932 -10.306 446 HE2 LYS 51 HE2 LYS 51 -10.150 -5.608 -12.627 447 HE3 LYS 51 HE3 LYS 51 -10.953 -5.399 -11.070 448 HZ1 LYS 51 HZ1 LYS 51 -11.158 -3.041 -11.535 449 HZ2 LYS 51 HZ2 LYS 51 -11.905 -3.960 -12.741 450 HZ3 LYS 51 HZ3 LYS 51 -10.404 -3.243 -13.033 451 H LYS 52 H LYS 52 -3.362 -4.443 -11.248 452 HA LYS 52 HA LYS 52 -3.182 -6.395 -13.471 453 HB2 LYS 52 HB2 LYS 52 -1.398 -4.008 -12.840 454 HB3 LYS 52 HB3 LYS 52 -1.189 -5.109 -14.200 455 HG2 LYS 52 HG2 LYS 52 -3.293 -4.361 -15.193 456 HG3 LYS 52 HG3 LYS 52 -3.635 -3.345 -13.787 457 HD2 LYS 52 HD2 LYS 52 -1.284 -2.985 -15.694 458 HD3 LYS 52 HD3 LYS 52 -2.772 -2.036 -15.726 459 HE2 LYS 52 HE2 LYS 52 -2.268 -1.136 -13.487 460 HE3 LYS 52 HE3 LYS 52 -0.821 -2.144 -13.395 461 HZ1 LYS 52 HZ1 LYS 52 -0.305 0.116 -14.007 462 HZ2 LYS 52 HZ2 LYS 52 -1.289 0.008 -15.378 463 HZ3 LYS 52 HZ3 LYS 52 0.104 -0.945 -15.256 464 H MET 53 H MET 53 -2.091 -5.741 -10.213 465 HA MET 53 HA MET 53 0.299 -7.379 -10.312 466 HB2 MET 53 HB2 MET 53 -1.213 -6.098 -8.015 467 HB3 MET 53 HB3 MET 53 0.068 -7.261 -7.704 468 HG2 MET 53 HG2 MET 53 1.600 -5.775 -9.059 469 HG3 MET 53 HG3 MET 53 0.327 -4.557 -9.028 470 HE1 MET 53 HE1 MET 53 0.124 -3.872 -5.096 471 HE2 MET 53 HE2 MET 53 -0.844 -5.029 -6.014 472 HE3 MET 53 HE3 MET 53 -0.536 -3.421 -6.669 473 H ASN 54 H ASN 54 0.643 -9.355 -9.299 474 HA ASN 54 HA ASN 54 -1.565 -11.265 -9.507 475 HB2 ASN 54 HB2 ASN 54 1.402 -11.760 -8.968 476 HB3 ASN 54 HB3 ASN 54 0.199 -12.988 -9.361 477 HD21 ASN 54 HD21 ASN 54 2.150 -10.403 -10.596 478 HD22 ASN 54 HD22 ASN 54 1.897 -10.742 -12.266 479 H GLU 55 H GLU 55 -1.685 -13.036 -7.843 480 HA GLU 55 HA GLU 55 -2.653 -12.093 -5.419 481 HB2 GLU 55 HB2 GLU 55 -3.093 -14.298 -6.616 482 HB3 GLU 55 HB3 GLU 55 -1.584 -14.899 -5.952 483 HG2 GLU 55 HG2 GLU 55 -3.874 -13.942 -4.217 484 HG3 GLU 55 HG3 GLU 55 -3.767 -15.589 -4.810 485 H GLU 56 H GLU 56 0.537 -13.466 -6.124 486 HA GLU 56 HA GLU 56 1.653 -13.595 -3.548 487 HB2 GLU 56 HB2 GLU 56 3.850 -13.666 -4.764 488 HB3 GLU 56 HB3 GLU 56 2.645 -14.784 -5.394 489 HG2 GLU 56 HG2 GLU 56 2.145 -13.121 -7.235 490 HG3 GLU 56 HG3 GLU 56 3.484 -12.139 -6.647 491 H GLU 57 H GLU 57 1.754 -10.911 -5.913 492 HA GLU 57 HA GLU 57 3.359 -9.114 -4.361 493 HB2 GLU 57 HB2 GLU 57 1.368 -8.473 -6.585 494 HB3 GLU 57 HB3 GLU 57 2.657 -7.413 -6.008 495 HG2 GLU 57 HG2 GLU 57 4.338 -9.052 -6.806 496 HG3 GLU 57 HG3 GLU 57 3.035 -10.080 -7.407 497 H LEU 58 H LEU 58 -0.111 -9.379 -4.947 498 HA LEU 58 HA LEU 58 -1.167 -7.453 -3.261 499 HB2 LEU 58 HB2 LEU 58 -2.328 -10.207 -3.792 500 HB3 LEU 58 HB3 LEU 58 -3.219 -8.810 -3.223 501 HG LEU 58 HG LEU 58 -2.057 -9.277 -5.977 502 HD11 LEU 58 HD11 LEU 58 -4.331 -8.933 -6.753 503 HD12 LEU 58 HD12 LEU 58 -4.879 -8.649 -5.098 504 HD13 LEU 58 HD13 LEU 58 -4.257 -10.234 -5.566 505 HD21 LEU 58 HD21 LEU 58 -3.120 -6.646 -4.930 506 HD22 LEU 58 HD22 LEU 58 -2.764 -7.013 -6.620 507 HD23 LEU 58 HD23 LEU 58 -1.464 -6.995 -5.434 508 H GLU 59 H GLU 59 0.057 -10.663 -2.322 509 HA GLU 59 HA GLU 59 -0.807 -10.668 0.384 510 HB2 GLU 59 HB2 GLU 59 1.467 -12.053 -1.066 511 HB3 GLU 59 HB3 GLU 59 1.250 -12.259 0.667 512 HG2 GLU 59 HG2 GLU 59 -0.902 -12.901 -1.376 513 HG3 GLU 59 HG3 GLU 59 0.273 -14.073 -0.785 514 H GLU 60 H GLU 60 2.194 -9.449 -1.102 515 HA GLU 60 HA GLU 60 3.376 -8.508 1.320 516 HB2 GLU 60 HB2 GLU 60 4.687 -8.958 -0.738 517 HB3 GLU 60 HB3 GLU 60 3.876 -7.627 -1.556 518 HG2 GLU 60 HG2 GLU 60 4.934 -6.001 -0.150 519 HG3 GLU 60 HG3 GLU 60 5.529 -7.238 0.951 520 H TYR 61 H TYR 61 1.182 -7.057 -1.070 521 HA TYR 61 HA TYR 61 1.089 -4.429 -0.033 522 HB2 TYR 61 HB2 TYR 61 0.196 -5.000 -2.272 523 HB3 TYR 61 HB3 TYR 61 -1.102 -5.928 -1.526 524 HD1 TYR 61 HD2 TYR 61 0.366 -2.459 -1.486 525 HD2 TYR 61 HD1 TYR 61 -3.185 -4.818 -1.141 526 HE1 TYR 61 HE2 TYR 61 -0.981 -0.416 -1.330 527 HE2 TYR 61 HE1 TYR 61 -4.527 -2.765 -0.970 528 HH TYR 61 HH TYR 61 -3.341 0.287 -1.742 529 H ASP 62 H ASP 62 -0.725 -7.353 0.826 530 HA ASP 62 HA ASP 62 -2.567 -6.270 2.663 531 HB2 ASP 62 HB2 ASP 62 -2.613 -8.599 1.727 532 HB3 ASP 62 HB3 ASP 62 -1.228 -9.013 2.727 533 H SER 63 H SER 63 0.775 -7.432 3.127 534 HA SER 63 HA SER 63 1.038 -6.923 5.916 535 HB2 SER 63 HB2 SER 63 3.190 -6.951 3.753 536 HB3 SER 63 HB3 SER 63 3.495 -7.009 5.489 537 HG SER 63 HG SER 63 3.342 -9.068 4.154 538 H LEU 64 H LEU 64 1.463 -4.776 3.085 539 HA LEU 64 HA LEU 64 2.548 -2.548 4.504 540 HB2 LEU 64 HB2 LEU 64 2.712 -2.877 2.026 541 HB3 LEU 64 HB3 LEU 64 0.992 -2.558 1.892 542 HG LEU 64 HG LEU 64 1.391 -0.237 2.767 543 HD11 LEU 64 HD11 LEU 64 3.439 -0.594 4.047 544 HD12 LEU 64 HD12 LEU 64 3.678 0.676 2.851 545 HD13 LEU 64 HD13 LEU 64 4.338 -0.937 2.564 546 HD21 LEU 64 HD21 LEU 64 2.972 -0.916 0.263 547 HD22 LEU 64 HD22 LEU 64 2.344 0.678 0.695 548 HD23 LEU 64 HD23 LEU 64 1.229 -0.641 0.344 549 H LEU 65 H LEU 65 -0.762 -3.525 3.685 550 HA LEU 65 HA LEU 65 -2.190 -1.334 4.798 551 HB2 LEU 65 HB2 LEU 65 -3.030 -4.253 4.583 552 HB3 LEU 65 HB3 LEU 65 -4.121 -2.893 4.836 553 HG LEU 65 HG LEU 65 -2.409 -3.277 2.351 554 HD11 LEU 65 HD11 LEU 65 -4.431 -3.926 1.175 555 HD12 LEU 65 HD12 LEU 65 -5.363 -3.834 2.666 556 HD13 LEU 65 HD13 LEU 65 -4.093 -5.045 2.494 557 HD21 LEU 65 HD21 LEU 65 -4.631 -1.294 2.922 558 HD22 LEU 65 HD22 LEU 65 -3.812 -1.509 1.374 559 HD23 LEU 65 HD23 LEU 65 -2.908 -0.930 2.768 560 H ASN 66 H ASN 66 -0.903 -4.299 6.152 561 HA ASN 66 HA ASN 66 -1.936 -4.151 8.794 562 HB2 ASN 66 HB2 ASN 66 -1.207 -6.272 7.996 563 HB3 ASN 66 HB3 ASN 66 0.333 -5.647 7.438 564 HD21 ASN 66 HD21 ASN 66 2.030 -5.494 8.861 565 HD22 ASN 66 HD22 ASN 66 1.994 -6.218 10.423 566 H GLU 67 H GLU 67 0.671 -2.423 7.229 567 HA GLU 67 HA GLU 67 2.143 -1.732 9.632 568 HB2 GLU 67 HB2 GLU 67 2.268 -0.384 6.896 569 HB3 GLU 67 HB3 GLU 67 3.432 -0.202 8.206 570 HG2 GLU 67 HG2 GLU 67 2.909 -2.676 6.550 571 HG3 GLU 67 HG3 GLU 67 4.336 -1.652 6.498 572 H LEU 68 H LEU 68 2.365 0.446 10.454 573 HA LEU 68 HA LEU 68 -0.137 1.771 10.874 574 HB2 LEU 68 HB2 LEU 68 2.077 1.435 12.414 575 HB3 LEU 68 HB3 LEU 68 2.420 3.039 11.800 576 HG LEU 68 HG LEU 68 -0.089 2.255 13.322 577 HD11 LEU 68 HD11 LEU 68 0.854 3.524 15.226 578 HD12 LEU 68 HD12 LEU 68 2.354 3.750 14.323 579 HD13 LEU 68 HD13 LEU 68 1.843 2.128 14.796 580 HD21 LEU 68 HD21 LEU 68 -0.518 4.697 13.516 581 HD22 LEU 68 HD22 LEU 68 -0.544 4.149 11.842 582 HD23 LEU 68 HD23 LEU 68 0.864 5.014 12.462 583 H ASP 69 H ASP 69 -0.926 3.434 9.801 584 HA ASP 69 HA ASP 69 -0.308 4.191 7.295 585 HB2 ASP 69 HB2 ASP 69 -1.770 6.277 7.772 586 HB3 ASP 69 HB3 ASP 69 -2.462 4.688 8.047 587 H TRP 70 H TRP 70 0.608 6.286 10.110 588 HA TRP 70 HA TRP 70 1.826 8.331 8.652 589 HB2 TRP 70 HB2 TRP 70 2.193 7.389 11.487 590 HB3 TRP 70 HB3 TRP 70 3.288 8.611 10.857 591 HD1 TRP 70 HD1 TRP 70 0.136 8.418 12.689 592 HE1 TRP 70 HE1 TRP 70 -1.126 10.650 12.577 593 HE3 TRP 70 HE3 TRP 70 2.699 10.636 8.830 594 HZ2 TRP 70 HZ2 TRP 70 -1.075 13.026 11.057 595 HZ3 TRP 70 HZ3 TRP 70 2.011 12.886 8.098 596 HH2 TRP 70 HH2 TRP 70 0.158 14.053 9.189 597 H ASP 71 H ASP 71 3.344 5.321 9.873 598 HA ASP 71 HA ASP 71 6.015 5.926 9.139 599 HB2 ASP 71 HB2 ASP 71 4.668 3.203 9.418 600 HB3 ASP 71 HB3 ASP 71 6.409 3.463 9.322 601 H ILE 72 H ILE 72 3.490 4.065 7.432 602 HA ILE 72 HA ILE 72 4.730 3.381 5.035 603 HB ILE 72 HB ILE 72 1.855 4.376 5.325 604 HG12 ILE 72 HG12 ILE 72 2.815 1.494 5.577 605 HG13 ILE 72 HG13 ILE 72 2.446 2.531 6.951 606 HG21 ILE 72 HG21 ILE 72 3.029 2.521 3.218 607 HG22 ILE 72 HG22 ILE 72 2.519 4.191 2.962 608 HG23 ILE 72 HG23 ILE 72 1.325 2.959 3.368 609 HD11 ILE 72 HD11 ILE 72 0.611 1.027 6.470 610 HD12 ILE 72 HD12 ILE 72 0.491 1.650 4.825 611 HD13 ILE 72 HD13 ILE 72 0.116 2.697 6.197 612 H TYR 73 H TYR 73 3.114 6.408 5.897 613 HA TYR 73 HA TYR 73 3.238 7.685 3.370 614 HB2 TYR 73 HB2 TYR 73 1.684 8.193 5.366 615 HB3 TYR 73 HB3 TYR 73 3.023 9.102 6.056 616 HD1 TYR 73 HD2 TYR 73 0.746 8.892 3.107 617 HD2 TYR 73 HD1 TYR 73 3.441 11.380 5.313 618 HE1 TYR 73 HE2 TYR 73 0.040 10.833 1.783 619 HE2 TYR 73 HE1 TYR 73 2.729 13.322 3.982 620 HH TYR 73 HH TYR 73 -0.028 13.354 2.131 621 H TYR 74 H TYR 74 5.323 7.823 6.257 622 HA TYR 74 HA TYR 74 7.073 9.885 5.309 623 HB2 TYR 74 HB2 TYR 74 7.435 7.814 7.503 624 HB3 TYR 74 HB3 TYR 74 8.600 9.093 7.178 625 HD1 TYR 74 HD1 TYR 74 6.876 11.471 6.745 626 HD2 TYR 74 HD2 TYR 74 6.502 8.329 9.610 627 HE1 TYR 74 HE1 TYR 74 5.696 12.996 8.269 628 HE2 TYR 74 HE2 TYR 74 5.322 9.847 11.127 629 HH TYR 74 HH TYR 74 4.997 12.143 11.564 630 H TRP 75 H TRP 75 7.172 6.329 5.099 631 HA TRP 75 HA TRP 75 9.771 6.141 3.912 632 HB2 TRP 75 HB2 TRP 75 7.436 4.203 3.634 633 HB3 TRP 75 HB3 TRP 75 9.115 3.848 3.249 634 HD1 TRP 75 HD1 TRP 75 10.263 5.209 6.067 635 HE1 TRP 75 HE1 TRP 75 9.997 3.840 8.220 636 HE3 TRP 75 HE3 TRP 75 6.555 2.001 4.563 637 HZ2 TRP 75 HZ2 TRP 75 8.446 1.700 9.173 638 HZ3 TRP 75 HZ3 TRP 75 5.738 0.314 6.168 639 HH2 TRP 75 HH2 TRP 75 6.667 0.168 8.429 640 H ALA 76 H ALA 76 6.513 6.560 2.599 641 HA ALA 76 HA ALA 76 7.236 6.445 -0.182 642 HB1 ALA 76 HB1 ALA 76 4.977 5.865 0.601 643 HB2 ALA 76 HB2 ALA 76 4.924 7.159 -0.601 644 HB3 ALA 76 HB3 ALA 76 4.722 7.533 1.115 645 H THR 77 H THR 77 7.488 8.950 2.192 646 HA THR 77 HA THR 77 7.839 11.051 0.106 647 HB THR 77 HB THR 77 7.435 12.739 1.921 648 HG1 THR 77 HG1 THR 77 6.263 10.905 3.622 649 HG21 THR 77 HG21 THR 77 5.154 10.746 1.588 650 HG22 THR 77 HG22 THR 77 5.539 12.064 0.476 651 HG23 THR 77 HG23 THR 77 4.996 12.424 2.116 652 H LYS 78 H LYS 78 9.706 9.026 1.831 653 HA LYS 78 HA LYS 78 11.914 8.864 2.269 654 HB2 LYS 78 HB2 LYS 78 12.116 11.511 0.797 655 HB3 LYS 78 HB3 LYS 78 13.523 10.600 1.340 656 HG2 LYS 78 HG2 LYS 78 12.902 8.726 -0.112 657 HG3 LYS 78 HG3 LYS 78 11.445 9.581 -0.635 658 HD2 LYS 78 HD2 LYS 78 14.315 10.513 -1.102 659 HD3 LYS 78 HD3 LYS 78 13.281 9.744 -2.309 660 HE2 LYS 78 HE2 LYS 78 11.720 11.647 -2.209 661 HE3 LYS 78 HE3 LYS 78 12.696 12.404 -0.950 662 HZ1 LYS 78 HZ1 LYS 78 13.162 13.373 -3.067 663 HZ2 LYS 78 HZ2 LYS 78 13.533 11.870 -3.739 664 HZ3 LYS 78 HZ3 LYS 78 14.526 12.526 -2.539 665 H ASN 79 H ASN 79 10.092 10.411 4.161 666 HA ASN 79 HA ASN 79 11.959 11.979 5.765 667 HB2 ASN 79 HB2 ASN 79 9.102 11.087 6.338 668 HB3 ASN 79 HB3 ASN 79 10.021 12.233 7.311 669 HD21 ASN 79 HD21 ASN 79 7.487 12.601 5.878 670 HD22 ASN 79 HD22 ASN 79 7.741 13.921 4.809 671 H PHE 80 H PHE 80 13.306 9.796 5.612 672 HA PHE 80 HA PHE 80 12.632 7.684 7.457 673 HB2 PHE 80 HB2 PHE 80 15.247 8.243 5.997 674 HB3 PHE 80 HB3 PHE 80 14.861 6.757 6.861 675 HD1 PHE 80 HD1 PHE 80 12.564 5.599 6.071 676 HD2 PHE 80 HD2 PHE 80 14.924 8.235 3.665 677 HE1 PHE 80 HE1 PHE 80 11.572 4.645 4.038 678 HE2 PHE 80 HE2 PHE 80 13.918 7.269 1.637 679 HZ PHE 80 HZ PHE 80 12.243 5.475 1.823 680 H LYS 81 H LYS 81 14.045 10.734 7.859 681 HA LYS 81 HA LYS 81 15.682 10.290 10.139 682 HB2 LYS 81 HB2 LYS 81 15.404 12.767 10.516 683 HB3 LYS 81 HB3 LYS 81 15.958 12.328 8.905 684 HG2 LYS 81 HG2 LYS 81 13.715 12.718 7.983 685 HG3 LYS 81 HG3 LYS 81 13.088 13.053 9.598 686 HD2 LYS 81 HD2 LYS 81 13.460 15.149 8.386 687 HD3 LYS 81 HD3 LYS 81 14.556 15.040 9.763 688 HE2 LYS 81 HE2 LYS 81 16.371 14.300 8.198 689 HE3 LYS 81 HE3 LYS 81 15.263 14.535 6.845 690 HZ1 LYS 81 HZ1 LYS 81 16.663 16.444 7.085 691 HZ2 LYS 81 HZ2 LYS 81 16.253 16.617 8.716 692 HZ3 LYS 81 HZ3 LYS 81 15.087 16.883 7.521 693 H THR 82 H THR 82 12.186 10.997 9.813 694 HA THR 82 HA THR 82 11.808 10.982 12.735 695 HB THR 82 HB THR 82 10.594 12.733 11.557 696 HG1 THR 82 HG1 THR 82 8.681 12.434 12.585 697 HG21 THR 82 HG21 THR 82 8.738 12.278 9.998 698 HG22 THR 82 HG22 THR 82 9.110 10.553 10.046 699 HG23 THR 82 HG23 THR 82 10.270 11.688 9.349 700 H SER 83 H SER 83 10.797 9.064 9.883 701 HA SER 83 HA SER 83 10.375 6.726 11.671 702 HB2 SER 83 HB2 SER 83 8.779 7.435 9.176 703 HB3 SER 83 HB3 SER 83 8.736 5.843 9.938 704 HG SER 83 HG SER 83 7.172 6.760 10.991 705 HA PRO 84 HA PRO 84 13.888 5.638 8.889 706 HB2 PRO 84 HB2 PRO 84 14.914 3.647 10.483 707 HB3 PRO 84 HB3 PRO 84 15.235 5.366 10.761 708 HG2 PRO 84 HG2 PRO 84 13.166 3.596 12.074 709 HG3 PRO 84 HG3 PRO 84 14.309 4.723 12.839 710 HD2 PRO 84 HD2 PRO 84 11.741 5.431 12.409 711 HD3 PRO 84 HD3 PRO 84 13.056 6.616 12.217 712 H LEU 85 H LEU 85 14.269 3.872 7.526 713 HA LEU 85 HA LEU 85 11.975 2.237 6.962 714 HB2 LEU 85 HB2 LEU 85 13.427 3.322 5.217 715 HB3 LEU 85 HB3 LEU 85 14.714 2.207 5.646 716 HG LEU 85 HG LEU 85 13.238 0.295 4.974 717 HD11 LEU 85 HD11 LEU 85 11.049 1.356 5.348 718 HD12 LEU 85 HD12 LEU 85 11.176 0.708 3.718 719 HD13 LEU 85 HD13 LEU 85 11.332 2.446 3.985 720 HD21 LEU 85 HD21 LEU 85 13.698 2.364 2.803 721 HD22 LEU 85 HD22 LEU 85 13.421 0.639 2.546 722 HD23 LEU 85 HD23 LEU 85 14.874 1.180 3.382 723 HA PRO 86 HA PRO 86 13.739 -1.324 9.234 724 HB2 PRO 86 HB2 PRO 86 11.548 -2.914 9.215 725 HB3 PRO 86 HB3 PRO 86 11.641 -1.476 10.240 726 HG2 PRO 86 HG2 PRO 86 10.180 -1.872 7.655 727 HG3 PRO 86 HG3 PRO 86 9.700 -0.932 9.081 728 HD2 PRO 86 HD2 PRO 86 10.870 0.103 6.733 729 HD3 PRO 86 HD3 PRO 86 10.743 0.961 8.278 730 H ASP 87 H ASP 87 14.312 -3.502 8.713 731 HA ASP 87 HA ASP 87 15.335 -3.837 6.115 732 HB2 ASP 87 HB2 ASP 87 15.031 -5.895 8.344 733 HB3 ASP 87 HB3 ASP 87 16.059 -6.085 6.922 734 H LYS 88 H LYS 88 12.378 -5.042 7.567 735 HA LYS 88 HA LYS 88 11.586 -6.973 5.680 736 HB2 LYS 88 HB2 LYS 88 9.263 -6.555 6.537 737 HB3 LYS 88 HB3 LYS 88 10.454 -6.815 7.805 738 HG2 LYS 88 HG2 LYS 88 10.566 -4.378 8.211 739 HG3 LYS 88 HG3 LYS 88 9.378 -4.108 6.937 740 HD2 LYS 88 HD2 LYS 88 8.882 -5.671 9.507 741 HD3 LYS 88 HD3 LYS 88 8.380 -4.004 9.215 742 HE2 LYS 88 HE2 LYS 88 6.960 -4.822 7.312 743 HE3 LYS 88 HE3 LYS 88 7.392 -6.479 7.749 744 HZ1 LYS 88 HZ1 LYS 88 5.286 -5.884 8.689 745 HZ2 LYS 88 HZ2 LYS 88 5.943 -4.524 9.443 746 HZ3 LYS 88 HZ3 LYS 88 6.411 -6.071 9.937 747 H TRP 89 H TRP 89 11.408 -3.437 5.438 748 HA TRP 89 HA TRP 89 10.108 -3.684 2.774 749 HB2 TRP 89 HB2 TRP 89 10.254 -1.229 4.578 750 HB3 TRP 89 HB3 TRP 89 9.478 -1.290 2.995 751 HD1 TRP 89 HD1 TRP 89 8.646 -1.653 6.568 752 HE1 TRP 89 HE1 TRP 89 6.357 -2.753 6.877 753 HE3 TRP 89 HE3 TRP 89 7.864 -3.346 1.798 754 HZ2 TRP 89 HZ2 TRP 89 4.466 -4.168 5.340 755 HZ3 TRP 89 HZ3 TRP 89 5.788 -4.565 1.298 756 HH2 TRP 89 HH2 TRP 89 4.119 -4.966 3.038 757 H ALA 90 H ALA 90 13.125 -3.185 4.172 758 HA ALA 90 HA ALA 90 14.231 -1.251 2.350 759 HB1 ALA 90 HB1 ALA 90 15.118 -1.567 4.613 760 HB2 ALA 90 HB2 ALA 90 16.378 -1.802 3.398 761 HB3 ALA 90 HB3 ALA 90 15.641 -3.198 4.190 762 H ASN 91 H ASN 91 13.297 -4.388 1.726 763 HA ASN 91 HA ASN 91 14.879 -4.383 -0.766 764 HB2 ASN 91 HB2 ASN 91 15.198 -6.841 -0.625 765 HB3 ASN 91 HB3 ASN 91 15.996 -6.000 0.696 766 HD21 ASN 91 HD21 ASN 91 15.148 -6.198 2.801 767 HD22 ASN 91 HD22 ASN 91 14.053 -7.462 3.219 768 H SER 92 H SER 92 12.025 -3.776 0.213 769 HA SER 92 HA SER 92 10.335 -5.615 -1.291 770 HB2 SER 92 HB2 SER 92 9.386 -4.751 0.747 771 HB3 SER 92 HB3 SER 92 9.750 -3.085 0.300 772 HG SER 92 HG SER 92 7.743 -4.806 -0.690 773 H LYS 93 H LYS 93 9.785 -5.373 -3.385 774 HA LYS 93 HA LYS 93 10.400 -3.105 -5.013 775 HB2 LYS 93 HB2 LYS 93 10.146 -5.410 -5.938 776 HB3 LYS 93 HB3 LYS 93 8.427 -5.371 -5.552 777 HG2 LYS 93 HG2 LYS 93 8.192 -3.403 -7.113 778 HG3 LYS 93 HG3 LYS 93 9.887 -3.620 -7.562 779 HD2 LYS 93 HD2 LYS 93 9.349 -5.911 -8.379 780 HD3 LYS 93 HD3 LYS 93 7.653 -5.648 -7.957 781 HE2 LYS 93 HE2 LYS 93 7.547 -3.775 -9.581 782 HE3 LYS 93 HE3 LYS 93 9.239 -4.047 -10.004 783 HZ1 LYS 93 HZ1 LYS 93 7.762 -5.050 -11.595 784 HZ2 LYS 93 HZ2 LYS 93 7.022 -5.973 -10.385 785 HZ3 LYS 93 HZ3 LYS 93 8.639 -6.245 -10.784 786 H LEU 94 H LEU 94 7.445 -4.276 -3.424 787 HA LEU 94 HA LEU 94 5.438 -2.659 -4.403 788 HB2 LEU 94 HB2 LEU 94 5.057 -4.535 -2.892 789 HB3 LEU 94 HB3 LEU 94 5.908 -3.708 -1.599 790 HG LEU 94 HG LEU 94 4.022 -1.914 -1.756 791 HD11 LEU 94 HD11 LEU 94 3.042 -2.618 -3.885 792 HD12 LEU 94 HD12 LEU 94 1.863 -2.657 -2.579 793 HD13 LEU 94 HD13 LEU 94 2.568 -4.165 -3.169 794 HD21 LEU 94 HD21 LEU 94 3.413 -4.673 -0.679 795 HD22 LEU 94 HD22 LEU 94 2.593 -3.176 -0.226 796 HD23 LEU 94 HD23 LEU 94 4.300 -3.388 0.148 797 H LEU 95 H LEU 95 7.548 -1.967 -1.624 798 HA LEU 95 HA LEU 95 6.562 0.507 -0.782 799 HB2 LEU 95 HB2 LEU 95 8.207 -0.810 0.488 800 HB3 LEU 95 HB3 LEU 95 9.405 -0.559 -0.773 801 HG LEU 95 HG LEU 95 9.207 1.965 -0.261 802 HD11 LEU 95 HD11 LEU 95 7.109 1.927 0.983 803 HD12 LEU 95 HD12 LEU 95 8.412 2.612 1.946 804 HD13 LEU 95 HD13 LEU 95 7.862 0.966 2.262 805 HD21 LEU 95 HD21 LEU 95 10.389 0.165 1.866 806 HD22 LEU 95 HD22 LEU 95 10.808 1.856 1.574 807 HD23 LEU 95 HD23 LEU 95 11.163 0.639 0.350 808 H LYS 96 H LYS 96 9.063 -0.218 -3.181 809 HA LYS 96 HA LYS 96 9.743 2.501 -3.785 810 HB2 LYS 96 HB2 LYS 96 10.367 -0.058 -5.317 811 HB3 LYS 96 HB3 LYS 96 11.133 1.511 -5.590 812 HG2 LYS 96 HG2 LYS 96 12.030 1.467 -3.281 813 HG3 LYS 96 HG3 LYS 96 11.274 -0.108 -3.020 814 HD2 LYS 96 HD2 LYS 96 12.707 -1.096 -4.767 815 HD3 LYS 96 HD3 LYS 96 13.438 0.482 -5.083 816 HE2 LYS 96 HE2 LYS 96 14.355 0.518 -2.783 817 HE3 LYS 96 HE3 LYS 96 13.605 -1.046 -2.455 818 HZ1 LYS 96 HZ1 LYS 96 15.932 -1.284 -3.004 819 HZ2 LYS 96 HZ2 LYS 96 15.697 -0.525 -4.495 820 HZ3 LYS 96 HZ3 LYS 96 14.972 -2.019 -4.185 821 H GLN 97 H GLN 97 7.552 0.125 -5.243 822 HA GLN 97 HA GLN 97 6.682 1.577 -7.515 823 HB2 GLN 97 HB2 GLN 97 5.182 -0.440 -5.773 824 HB3 GLN 97 HB3 GLN 97 4.585 0.157 -7.317 825 HG2 GLN 97 HG2 GLN 97 7.173 -1.392 -6.974 826 HG3 GLN 97 HG3 GLN 97 5.623 -2.114 -7.411 827 HE21 GLN 97 HE21 GLN 97 8.254 -0.116 -8.508 828 HE22 GLN 97 HE22 GLN 97 7.834 -0.130 -10.180 829 H LEU 98 H LEU 98 5.652 1.614 -4.123 830 HA LEU 98 HA LEU 98 3.426 3.374 -4.348 831 HB2 LEU 98 HB2 LEU 98 3.837 1.855 -2.413 832 HB3 LEU 98 HB3 LEU 98 5.235 2.815 -1.961 833 HG LEU 98 HG LEU 98 3.700 4.773 -1.537 834 HD11 LEU 98 HD11 LEU 98 1.842 4.186 -2.994 835 HD12 LEU 98 HD12 LEU 98 1.270 4.370 -1.338 836 HD13 LEU 98 HD13 LEU 98 1.486 2.754 -2.020 837 HD21 LEU 98 HD21 LEU 98 4.467 3.351 0.315 838 HD22 LEU 98 HD22 LEU 98 3.083 2.278 0.083 839 HD23 LEU 98 HD23 LEU 98 2.831 3.946 0.606 840 H GLN 99 H GLN 99 6.872 3.918 -3.751 841 HA GLN 99 HA GLN 99 6.778 6.749 -3.338 842 HB2 GLN 99 HB2 GLN 99 9.031 4.867 -4.140 843 HB3 GLN 99 HB3 GLN 99 9.281 6.579 -3.797 844 HG2 GLN 99 HG2 GLN 99 8.567 6.294 -1.504 845 HG3 GLN 99 HG3 GLN 99 8.087 4.624 -1.811 846 HE21 GLN 99 HE21 GLN 99 9.447 3.971 -0.107 847 HE22 GLN 99 HE22 GLN 99 11.155 3.887 -0.295 848 H GLU 100 H GLU 100 7.449 4.757 -6.224 849 HA GLU 100 HA GLU 100 7.874 6.762 -8.150 850 HB2 GLU 100 HB2 GLU 100 6.656 3.978 -8.376 851 HB3 GLU 100 HB3 GLU 100 6.977 4.981 -9.787 852 HG2 GLU 100 HG2 GLU 100 9.338 4.910 -9.424 853 HG3 GLU 100 HG3 GLU 100 9.144 4.229 -7.810 854 H PHE 101 H PHE 101 4.882 5.134 -7.173 855 HA PHE 101 HA PHE 101 2.963 6.522 -8.663 856 HB2 PHE 101 HB2 PHE 101 2.419 4.464 -7.496 857 HB3 PHE 101 HB3 PHE 101 2.838 5.163 -5.939 858 HD1 PHE 101 HD2 PHE 101 0.345 5.377 -8.726 859 HD2 PHE 101 HD1 PHE 101 1.178 6.245 -4.617 860 HE1 PHE 101 HE2 PHE 101 -1.997 6.038 -8.382 861 HE2 PHE 101 HE1 PHE 101 -1.163 6.905 -4.287 862 HZ PHE 101 HZ PHE 101 -2.748 6.812 -6.166 863 H SER 102 H SER 102 4.289 7.224 -5.431 864 HA SER 102 HA SER 102 2.578 9.223 -4.538 865 HB2 SER 102 HB2 SER 102 4.189 8.082 -3.071 866 HB3 SER 102 HB3 SER 102 5.538 8.865 -3.893 867 HG SER 102 HG SER 102 4.971 9.895 -1.924 868 H GLU 103 H GLU 103 5.142 9.559 -6.891 869 HA GLU 103 HA GLU 103 5.463 12.422 -6.636 870 HB2 GLU 103 HB2 GLU 103 6.399 10.570 -8.868 871 HB3 GLU 103 HB3 GLU 103 6.956 12.219 -8.582 872 HG2 GLU 103 HG2 GLU 103 7.807 11.432 -6.322 873 HG3 GLU 103 HG3 GLU 103 7.427 9.785 -6.831 874 H ASN 104 H ASN 104 3.640 10.290 -8.860 875 HA ASN 104 HA ASN 104 2.662 12.671 -10.381 876 HB2 ASN 104 HB2 ASN 104 2.518 11.110 -12.358 877 HB3 ASN 104 HB3 ASN 104 4.149 11.410 -11.772 878 HD21 ASN 104 HD21 ASN 104 5.303 9.744 -10.807 879 HD22 ASN 104 HD22 ASN 104 4.800 8.098 -10.857 880 H LYS 105 H LYS 105 1.472 10.909 -8.090 881 HA LYS 105 HA LYS 105 -0.746 9.508 -9.158 882 HB2 LYS 105 HB2 LYS 105 -1.564 9.527 -6.688 883 HB3 LYS 105 HB3 LYS 105 -0.114 8.654 -7.128 884 HG2 LYS 105 HG2 LYS 105 0.526 9.653 -5.153 885 HG3 LYS 105 HG3 LYS 105 1.161 10.784 -6.344 886 HD2 LYS 105 HD2 LYS 105 -0.761 12.273 -5.963 887 HD3 LYS 105 HD3 LYS 105 -1.433 11.123 -4.798 888 HE2 LYS 105 HE2 LYS 105 0.556 11.438 -3.348 889 HE3 LYS 105 HE3 LYS 105 1.227 12.578 -4.516 890 HZ1 LYS 105 HZ1 LYS 105 -1.287 12.918 -3.004 891 HZ2 LYS 105 HZ2 LYS 105 -0.675 14.003 -4.135 892 HZ3 LYS 105 HZ3 LYS 105 0.173 13.709 -2.701 893 H GLU 106 H GLU 106 -0.500 12.879 -8.543 894 HA GLU 106 HA GLU 106 -3.408 13.209 -9.130 895 HB2 GLU 106 HB2 GLU 106 -1.554 15.119 -7.636 896 HB3 GLU 106 HB3 GLU 106 -3.253 15.420 -7.999 897 HG2 GLU 106 HG2 GLU 106 -3.928 13.576 -6.555 898 HG3 GLU 106 HG3 GLU 106 -2.242 13.161 -6.257 899 H LYS 107 H LYS 107 -0.567 13.190 -10.635 900 HA LYS 107 HA LYS 107 -0.980 15.614 -12.295 901 HB2 LYS 107 HB2 LYS 107 1.604 14.097 -11.783 902 HB3 LYS 107 HB3 LYS 107 1.425 15.569 -12.741 903 HG2 LYS 107 HG2 LYS 107 0.613 16.726 -10.642 904 HG3 LYS 107 HG3 LYS 107 1.045 15.264 -9.754 905 HD2 LYS 107 HD2 LYS 107 2.868 16.779 -9.485 906 HD3 LYS 107 HD3 LYS 107 3.412 15.549 -10.622 907 HE2 LYS 107 HE2 LYS 107 2.354 18.273 -11.474 908 HE3 LYS 107 HE3 LYS 107 4.059 17.930 -11.213 909 HZ1 LYS 107 HZ1 LYS 107 3.554 17.771 -13.526 910 HZ2 LYS 107 HZ2 LYS 107 2.301 16.678 -13.249 911 HZ3 LYS 107 HZ3 LYS 107 3.901 16.218 -12.954 912 H GLU 108 H GLU 108 -1.780 12.562 -12.429 913 HA GLU 108 HA GLU 108 -0.779 11.738 -15.049 914 HB2 GLU 108 HB2 GLU 108 -2.087 9.671 -14.586 915 HB3 GLU 108 HB3 GLU 108 -0.989 10.066 -13.267 916 HG2 GLU 108 HG2 GLU 108 -2.839 10.971 -11.946 917 HG3 GLU 108 HG3 GLU 108 -3.965 10.687 -13.274 918 H ILE 109 H ILE 109 -2.877 10.465 -16.226 919 HA ILE 109 HA ILE 109 -4.469 12.328 -17.562 920 HB ILE 109 HB ILE 109 -5.890 10.385 -18.266 921 HG12 ILE 109 HG12 ILE 109 -4.168 8.754 -16.323 922 HG13 ILE 109 HG13 ILE 109 -5.870 9.135 -16.091 923 HG21 ILE 109 HG21 ILE 109 -2.898 9.832 -18.375 924 HG22 ILE 109 HG22 ILE 109 -3.806 10.859 -19.487 925 HG23 ILE 109 HG23 ILE 109 -4.114 9.123 -19.442 926 HD11 ILE 109 HD11 ILE 109 -5.587 6.864 -16.850 927 HD12 ILE 109 HD12 ILE 109 -4.715 7.412 -18.280 928 HD13 ILE 109 HD13 ILE 109 -6.425 7.809 -18.081 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -43.846 -32.717 23.480 2 H2 MET 1 H2 MET 1 -42.899 -31.532 22.739 3 H3 MET 1 H3 MET 1 -42.461 -33.160 22.621 4 HA MET 1 HA MET 1 -44.421 -33.662 21.343 5 HB2 MET 1 HB2 MET 1 -44.974 -30.666 21.513 6 HB3 MET 1 HB3 MET 1 -45.879 -31.809 20.529 7 HG2 MET 1 HG2 MET 1 -46.631 -32.966 22.569 8 HG3 MET 1 HG3 MET 1 -45.729 -31.808 23.552 9 HE1 MET 1 HE1 MET 1 -49.493 -30.789 24.179 10 HE2 MET 1 HE2 MET 1 -47.975 -31.246 24.949 11 HE3 MET 1 HE3 MET 1 -48.857 -32.420 23.968 12 H GLY 2 H GLY 2 -44.563 -33.256 18.962 13 HA2 GLY 2 HA2 GLY 2 -43.650 -32.768 16.892 14 HA3 GLY 2 HA3 GLY 2 -42.466 -31.725 17.658 15 H HIS 3 H HIS 3 -41.765 -33.382 15.553 16 HA HIS 3 HA HIS 3 -40.066 -35.487 16.804 17 HB2 HIS 3 HB2 HIS 3 -41.125 -35.474 13.932 18 HB3 HIS 3 HB3 HIS 3 -40.216 -36.764 14.715 19 HD1 HIS 3 HD1 HIS 3 -43.599 -35.622 14.069 20 HD2 HIS 3 HD2 HIS 3 -41.754 -38.059 16.882 21 HE1 HIS 3 HE1 HIS 3 -45.460 -36.906 15.159 22 HE2 HIS 3 HE2 HIS 3 -44.303 -38.488 16.741 23 H HIS 4 H HIS 4 -37.926 -35.770 15.904 24 HA HIS 4 HA HIS 4 -36.591 -33.310 15.261 25 HB2 HIS 4 HB2 HIS 4 -35.512 -36.161 15.342 26 HB3 HIS 4 HB3 HIS 4 -34.515 -34.718 15.169 27 HD1 HIS 4 HD1 HIS 4 -34.607 -33.013 17.260 28 HD2 HIS 4 HD2 HIS 4 -36.090 -36.837 17.955 29 HE1 HIS 4 HE1 HIS 4 -34.684 -33.260 19.758 30 HE2 HIS 4 HE2 HIS 4 -35.534 -35.589 20.163 31 H HIS 5 H HIS 5 -36.690 -32.400 13.288 32 HA HIS 5 HA HIS 5 -36.530 -34.081 10.846 33 HB2 HIS 5 HB2 HIS 5 -38.234 -32.655 9.765 34 HB3 HIS 5 HB3 HIS 5 -38.883 -33.437 11.199 35 HD1 HIS 5 HD1 HIS 5 -39.692 -31.924 13.101 36 HD2 HIS 5 HD2 HIS 5 -37.922 -29.820 9.985 37 HE1 HIS 5 HE1 HIS 5 -40.197 -29.508 13.547 38 HE2 HIS 5 HE2 HIS 5 -39.244 -28.274 11.582 39 H HIS 6 H HIS 6 -36.254 -32.573 8.845 40 HA HIS 6 HA HIS 6 -33.681 -31.325 9.075 41 HB2 HIS 6 HB2 HIS 6 -35.601 -31.434 6.705 42 HB3 HIS 6 HB3 HIS 6 -33.911 -30.938 6.619 43 HD1 HIS 6 HD1 HIS 6 -36.037 -33.853 6.328 44 HD2 HIS 6 HD2 HIS 6 -32.077 -33.139 7.377 45 HE1 HIS 6 HE1 HIS 6 -34.881 -36.074 6.128 46 HE2 HIS 6 HE2 HIS 6 -32.531 -35.647 6.909 47 H HIS 7 H HIS 7 -33.129 -29.172 9.186 48 HA HIS 7 HA HIS 7 -35.281 -27.146 8.978 49 HB2 HIS 7 HB2 HIS 7 -34.081 -25.940 10.956 50 HB3 HIS 7 HB3 HIS 7 -35.149 -27.293 11.298 51 HD1 HIS 7 HD1 HIS 7 -33.981 -29.568 11.974 52 HD2 HIS 7 HD2 HIS 7 -31.454 -26.277 11.809 53 HE1 HIS 7 HE1 HIS 7 -31.936 -30.233 13.261 54 HE2 HIS 7 HE2 HIS 7 -30.337 -28.326 12.924 55 H HIS 8 H HIS 8 -31.794 -27.762 8.544 56 HA HIS 8 HA HIS 8 -31.833 -26.100 6.233 57 HB2 HIS 8 HB2 HIS 8 -30.231 -24.370 6.773 58 HB3 HIS 8 HB3 HIS 8 -31.529 -24.288 7.956 59 HD1 HIS 8 HD1 HIS 8 -27.900 -24.534 7.659 60 HD2 HIS 8 HD2 HIS 8 -30.738 -25.324 10.585 61 HE1 HIS 8 HE1 HIS 8 -26.621 -24.661 9.810 62 HE2 HIS 8 HE2 HIS 8 -28.323 -25.341 11.521 63 H SER 9 H SER 9 -29.819 -26.140 4.998 64 HA SER 9 HA SER 9 -27.728 -28.025 5.896 65 HB2 SER 9 HB2 SER 9 -29.322 -29.300 4.429 66 HB3 SER 9 HB3 SER 9 -29.006 -28.157 3.121 67 HG SER 9 HG SER 9 -27.624 -29.824 2.784 68 H HIS 10 H HIS 10 -25.854 -27.938 4.123 69 HA HIS 10 HA HIS 10 -25.417 -25.162 3.209 70 HB2 HIS 10 HB2 HIS 10 -23.052 -25.255 4.124 71 HB3 HIS 10 HB3 HIS 10 -24.309 -25.190 5.355 72 HD1 HIS 10 HD1 HIS 10 -21.797 -27.574 3.845 73 HD2 HIS 10 HD2 HIS 10 -24.360 -27.350 7.110 74 HE1 HIS 10 HE1 HIS 10 -21.189 -29.517 5.315 75 HE2 HIS 10 HE2 HIS 10 -22.835 -29.439 7.213 76 H MET 11 H MET 11 -24.834 -25.138 1.146 77 HA MET 11 HA MET 11 -23.958 -27.457 -0.309 78 HB2 MET 11 HB2 MET 11 -24.174 -24.535 -1.152 79 HB3 MET 11 HB3 MET 11 -23.810 -25.866 -2.250 80 HG2 MET 11 HG2 MET 11 -26.151 -25.263 -2.435 81 HG3 MET 11 HG3 MET 11 -26.007 -26.876 -1.740 82 HE1 MET 11 HE1 MET 11 -28.462 -26.954 -0.800 83 HE2 MET 11 HE2 MET 11 -28.788 -25.398 -1.569 84 HE3 MET 11 HE3 MET 11 -29.205 -25.648 0.125 85 H ILE 12 H ILE 12 -21.929 -27.638 -1.476 86 HA ILE 12 HA ILE 12 -19.726 -27.238 0.294 87 HB ILE 12 HB ILE 12 -19.701 -28.271 -2.575 88 HG12 ILE 12 HG12 ILE 12 -21.174 -29.656 -1.172 89 HG13 ILE 12 HG13 ILE 12 -19.704 -30.549 -1.539 90 HG21 ILE 12 HG21 ILE 12 -17.446 -27.595 -1.885 91 HG22 ILE 12 HG22 ILE 12 -17.541 -29.353 -1.983 92 HG23 ILE 12 HG23 ILE 12 -17.579 -28.555 -0.408 93 HD11 ILE 12 HD11 ILE 12 -20.339 -29.166 1.064 94 HD12 ILE 12 HD12 ILE 12 -18.852 -30.048 0.702 95 HD13 ILE 12 HD13 ILE 12 -20.394 -30.900 0.746 96 H LYS 13 H LYS 13 -18.384 -25.572 0.457 97 HA LYS 13 HA LYS 13 -18.542 -23.240 -1.205 98 HB2 LYS 13 HB2 LYS 13 -16.599 -23.931 1.054 99 HB3 LYS 13 HB3 LYS 13 -16.661 -22.370 0.250 100 HG2 LYS 13 HG2 LYS 13 -17.826 -22.082 2.292 101 HG3 LYS 13 HG3 LYS 13 -19.070 -22.166 1.045 102 HD2 LYS 13 HD2 LYS 13 -19.490 -24.549 1.662 103 HD3 LYS 13 HD3 LYS 13 -18.265 -24.426 2.926 104 HE2 LYS 13 HE2 LYS 13 -20.841 -22.813 2.799 105 HE3 LYS 13 HE3 LYS 13 -20.551 -24.209 3.837 106 HZ1 LYS 13 HZ1 LYS 13 -20.281 -22.043 4.965 107 HZ2 LYS 13 HZ2 LYS 13 -18.971 -21.693 3.959 108 HZ3 LYS 13 HZ3 LYS 13 -18.889 -22.998 5.028 109 H ARG 14 H ARG 14 -17.954 -23.871 -3.272 110 HA ARG 14 HA ARG 14 -15.562 -25.222 -4.003 111 HB2 ARG 14 HB2 ARG 14 -17.475 -25.281 -5.459 112 HB3 ARG 14 HB3 ARG 14 -17.542 -23.530 -5.565 113 HG2 ARG 14 HG2 ARG 14 -15.622 -23.438 -6.990 114 HG3 ARG 14 HG3 ARG 14 -15.198 -25.117 -6.653 115 HD2 ARG 14 HD2 ARG 14 -16.228 -24.744 -8.924 116 HD3 ARG 14 HD3 ARG 14 -17.068 -25.938 -7.930 117 HE ARG 14 HE ARG 14 -18.253 -23.366 -7.622 118 HH11 ARG 14 HH11 ARG 14 -18.090 -25.923 -9.961 119 HH12 ARG 14 HH12 ARG 14 -19.686 -25.612 -10.551 120 HH21 ARG 14 HH21 ARG 14 -20.280 -23.012 -8.398 121 HH22 ARG 14 HH22 ARG 14 -20.904 -24.007 -9.668 122 H THR 15 H THR 15 -16.443 -21.776 -3.944 123 HA THR 15 HA THR 15 -13.576 -21.024 -4.232 124 HB THR 15 HB THR 15 -14.322 -18.806 -5.022 125 HG1 THR 15 HG1 THR 15 -16.991 -19.806 -5.055 126 HG21 THR 15 HG21 THR 15 -13.972 -20.540 -6.748 127 HG22 THR 15 HG22 THR 15 -15.276 -19.446 -7.217 128 HG23 THR 15 HG23 THR 15 -15.656 -21.051 -6.589 129 H ASN 16 H ASN 16 -12.630 -19.877 -2.618 130 HA ASN 16 HA ASN 16 -14.232 -18.605 -0.492 131 HB2 ASN 16 HB2 ASN 16 -13.652 -20.944 0.256 132 HB3 ASN 16 HB3 ASN 16 -11.946 -20.546 0.078 133 HD21 ASN 16 HD21 ASN 16 -11.538 -20.940 2.271 134 HD22 ASN 16 HD22 ASN 16 -12.064 -19.863 3.515 135 H GLU 17 H GLU 17 -13.635 -16.565 -0.836 136 HA GLU 17 HA GLU 17 -12.592 -14.729 -1.589 137 HB2 GLU 17 HB2 GLU 17 -11.433 -14.917 0.604 138 HB3 GLU 17 HB3 GLU 17 -10.138 -15.829 -0.164 139 HG2 GLU 17 HG2 GLU 17 -9.604 -13.860 -1.580 140 HG3 GLU 17 HG3 GLU 17 -10.881 -12.947 -0.784 141 HA PRO 18 HA PRO 18 -10.783 -16.510 -5.572 142 HB2 PRO 18 HB2 PRO 18 -12.596 -14.255 -6.443 143 HB3 PRO 18 HB3 PRO 18 -12.322 -15.835 -7.194 144 HG2 PRO 18 HG2 PRO 18 -14.554 -15.361 -5.807 145 HG3 PRO 18 HG3 PRO 18 -13.746 -16.941 -5.699 146 HD2 PRO 18 HD2 PRO 18 -13.747 -14.663 -3.726 147 HD3 PRO 18 HD3 PRO 18 -13.790 -16.417 -3.425 148 H LEU 19 H LEU 19 -9.646 -15.069 -7.252 149 HA LEU 19 HA LEU 19 -7.706 -13.562 -5.814 150 HB2 LEU 19 HB2 LEU 19 -7.592 -15.058 -8.051 151 HB3 LEU 19 HB3 LEU 19 -7.768 -13.500 -8.829 152 HG LEU 19 HG LEU 19 -5.400 -14.306 -8.613 153 HD11 LEU 19 HD11 LEU 19 -5.801 -11.921 -8.912 154 HD12 LEU 19 HD12 LEU 19 -4.399 -12.203 -7.879 155 HD13 LEU 19 HD13 LEU 19 -5.936 -11.702 -7.162 156 HD21 LEU 19 HD21 LEU 19 -5.602 -15.418 -6.424 157 HD22 LEU 19 HD22 LEU 19 -5.766 -13.848 -5.632 158 HD23 LEU 19 HD23 LEU 19 -4.261 -14.274 -6.452 159 H ASP 20 H ASP 20 -10.219 -12.579 -8.171 160 HA ASP 20 HA ASP 20 -9.583 -9.781 -8.054 161 HB2 ASP 20 HB2 ASP 20 -11.995 -11.273 -9.142 162 HB3 ASP 20 HB3 ASP 20 -11.822 -9.522 -9.252 163 H LYS 21 H LYS 21 -11.839 -11.845 -6.213 164 HA LYS 21 HA LYS 21 -13.078 -9.668 -4.792 165 HB2 LYS 21 HB2 LYS 21 -12.879 -12.619 -4.093 166 HB3 LYS 21 HB3 LYS 21 -13.803 -11.444 -3.155 167 HG2 LYS 21 HG2 LYS 21 -15.092 -10.962 -5.334 168 HG3 LYS 21 HG3 LYS 21 -14.333 -12.432 -5.970 169 HD2 LYS 21 HD2 LYS 21 -15.312 -13.719 -4.070 170 HD3 LYS 21 HD3 LYS 21 -16.094 -12.246 -3.488 171 HE2 LYS 21 HE2 LYS 21 -17.370 -12.127 -5.628 172 HE3 LYS 21 HE3 LYS 21 -16.629 -13.650 -6.131 173 HZ1 LYS 21 HZ1 LYS 21 -17.631 -14.704 -4.191 174 HZ2 LYS 21 HZ2 LYS 21 -18.793 -14.030 -5.210 175 HZ3 LYS 21 HZ3 LYS 21 -18.380 -13.247 -3.770 176 H LYS 22 H LYS 22 -10.172 -11.616 -4.226 177 HA LYS 22 HA LYS 22 -9.460 -10.615 -1.651 178 HB2 LYS 22 HB2 LYS 22 -8.323 -12.597 -2.621 179 HB3 LYS 22 HB3 LYS 22 -7.645 -11.598 -3.907 180 HG2 LYS 22 HG2 LYS 22 -6.418 -10.271 -2.155 181 HG3 LYS 22 HG3 LYS 22 -7.030 -11.396 -0.941 182 HD2 LYS 22 HD2 LYS 22 -5.866 -13.251 -2.204 183 HD3 LYS 22 HD3 LYS 22 -5.153 -12.004 -3.238 184 HE2 LYS 22 HE2 LYS 22 -3.616 -12.724 -1.426 185 HE3 LYS 22 HE3 LYS 22 -4.018 -11.011 -1.320 186 HZ1 LYS 22 HZ1 LYS 22 -5.557 -11.469 0.440 187 HZ2 LYS 22 HZ2 LYS 22 -4.083 -12.194 0.838 188 HZ3 LYS 22 HZ3 LYS 22 -5.362 -13.141 0.264 189 H ARG 23 H ARG 23 -8.555 -9.697 -4.944 190 HA ARG 23 HA ARG 23 -6.893 -7.529 -4.624 191 HB2 ARG 23 HB2 ARG 23 -7.657 -8.717 -6.766 192 HB3 ARG 23 HB3 ARG 23 -9.116 -7.735 -6.704 193 HG2 ARG 23 HG2 ARG 23 -7.617 -5.690 -6.837 194 HG3 ARG 23 HG3 ARG 23 -6.266 -6.793 -7.125 195 HD2 ARG 23 HD2 ARG 23 -8.680 -6.285 -8.888 196 HD3 ARG 23 HD3 ARG 23 -6.976 -6.071 -9.287 197 HE ARG 23 HE ARG 23 -8.500 -8.573 -9.274 198 HH11 ARG 23 HH11 ARG 23 -5.334 -7.180 -9.643 199 HH12 ARG 23 HH12 ARG 23 -4.747 -8.539 -10.525 200 HH21 ARG 23 HH21 ARG 23 -7.699 -10.270 -10.394 201 HH22 ARG 23 HH22 ARG 23 -6.059 -10.255 -10.944 202 H ALA 24 H ALA 24 -10.451 -7.484 -4.877 203 HA ALA 24 HA ALA 24 -10.890 -4.741 -4.351 204 HB1 ALA 24 HB1 ALA 24 -12.758 -7.089 -3.890 205 HB2 ALA 24 HB2 ALA 24 -12.563 -6.208 -5.406 206 HB3 ALA 24 HB3 ALA 24 -13.239 -5.390 -3.995 207 H ARG 25 H ARG 25 -10.795 -7.556 -2.141 208 HA ARG 25 HA ARG 25 -11.676 -6.238 0.215 209 HB2 ARG 25 HB2 ARG 25 -11.669 -8.727 -0.188 210 HB3 ARG 25 HB3 ARG 25 -9.928 -8.734 0.030 211 HG2 ARG 25 HG2 ARG 25 -11.634 -7.631 2.256 212 HG3 ARG 25 HG3 ARG 25 -11.621 -9.375 2.005 213 HD2 ARG 25 HD2 ARG 25 -9.151 -7.669 2.501 214 HD3 ARG 25 HD3 ARG 25 -9.989 -8.627 3.726 215 HE ARG 25 HE ARG 25 -9.407 -10.450 1.792 216 HH11 ARG 25 HH11 ARG 25 -7.427 -8.197 3.520 217 HH12 ARG 25 HH12 ARG 25 -6.046 -9.230 3.488 218 HH21 ARG 25 HH21 ARG 25 -7.632 -11.759 1.785 219 HH22 ARG 25 HH22 ARG 25 -6.161 -11.221 2.538 220 H LEU 26 H LEU 26 -8.458 -6.589 -1.200 221 HA LEU 26 HA LEU 26 -6.962 -5.501 0.992 222 HB2 LEU 26 HB2 LEU 26 -6.243 -5.578 -1.961 223 HB3 LEU 26 HB3 LEU 26 -5.137 -5.240 -0.644 224 HG LEU 26 HG LEU 26 -6.528 -7.923 -1.060 225 HD11 LEU 26 HD11 LEU 26 -3.670 -7.137 -1.688 226 HD12 LEU 26 HD12 LEU 26 -4.944 -7.483 -2.862 227 HD13 LEU 26 HD13 LEU 26 -4.361 -8.761 -1.799 228 HD21 LEU 26 HD21 LEU 26 -6.023 -7.495 1.293 229 HD22 LEU 26 HD22 LEU 26 -4.353 -7.085 0.889 230 HD23 LEU 26 HD23 LEU 26 -4.943 -8.736 0.654 231 H ILE 27 H ILE 27 -8.167 -4.106 -2.086 232 HA ILE 27 HA ILE 27 -7.541 -1.410 -1.779 233 HB ILE 27 HB ILE 27 -10.082 -2.572 -3.010 234 HG12 ILE 27 HG12 ILE 27 -7.468 -1.824 -4.386 235 HG13 ILE 27 HG13 ILE 27 -7.972 -3.464 -4.023 236 HG21 ILE 27 HG21 ILE 27 -10.342 -0.154 -2.595 237 HG22 ILE 27 HG22 ILE 27 -10.241 -0.480 -4.324 238 HG23 ILE 27 HG23 ILE 27 -8.840 0.167 -3.467 239 HD11 ILE 27 HD11 ILE 27 -9.891 -3.184 -5.554 240 HD12 ILE 27 HD12 ILE 27 -8.330 -2.965 -6.347 241 HD13 ILE 27 HD13 ILE 27 -9.312 -1.559 -5.940 242 H TYR 28 H TYR 28 -10.310 -3.184 -0.430 243 HA TYR 28 HA TYR 28 -11.775 -1.086 0.724 244 HB2 TYR 28 HB2 TYR 28 -12.869 -3.179 0.559 245 HB3 TYR 28 HB3 TYR 28 -11.537 -4.049 1.300 246 HD1 TYR 28 HD2 TYR 28 -14.154 -1.465 2.168 247 HD2 TYR 28 HD1 TYR 28 -11.742 -4.720 3.549 248 HE1 TYR 28 HE2 TYR 28 -15.300 -1.404 4.337 249 HE2 TYR 28 HE1 TYR 28 -12.888 -4.649 5.717 250 HH TYR 28 HH TYR 28 -14.134 -3.096 7.083 251 H GLN 29 H GLN 29 -9.229 -3.127 2.204 252 HA GLN 29 HA GLN 29 -9.355 -1.855 4.780 253 HB2 GLN 29 HB2 GLN 29 -7.266 -3.739 3.615 254 HB3 GLN 29 HB3 GLN 29 -7.366 -3.264 5.310 255 HG2 GLN 29 HG2 GLN 29 -9.602 -4.318 5.464 256 HG3 GLN 29 HG3 GLN 29 -9.486 -4.813 3.781 257 HE21 GLN 29 HE21 GLN 29 -6.684 -5.632 3.937 258 HE22 GLN 29 HE22 GLN 29 -6.640 -7.062 4.895 259 H SER 30 H SER 30 -7.725 -1.009 1.855 260 HA SER 30 HA SER 30 -5.779 0.754 3.162 261 HB2 SER 30 HB2 SER 30 -5.019 1.293 0.920 262 HB3 SER 30 HB3 SER 30 -5.189 -0.448 1.070 263 HG SER 30 HG SER 30 -6.313 1.172 -0.702 264 H ARG 31 H ARG 31 -8.900 0.990 1.542 265 HA ARG 31 HA ARG 31 -8.935 3.877 1.400 266 HB2 ARG 31 HB2 ARG 31 -11.136 1.815 1.032 267 HB3 ARG 31 HB3 ARG 31 -11.388 3.551 0.845 268 HG2 ARG 31 HG2 ARG 31 -9.566 3.497 -0.937 269 HG3 ARG 31 HG3 ARG 31 -9.651 1.737 -0.851 270 HD2 ARG 31 HD2 ARG 31 -11.013 2.600 -2.701 271 HD3 ARG 31 HD3 ARG 31 -12.035 1.822 -1.486 272 HE ARG 31 HE ARG 31 -11.880 4.569 -0.905 273 HH11 ARG 31 HH11 ARG 31 -13.285 2.546 -3.344 274 HH12 ARG 31 HH12 ARG 31 -14.579 3.650 -3.632 275 HH21 ARG 31 HH21 ARG 31 -13.529 5.950 -1.324 276 HH22 ARG 31 HH22 ARG 31 -14.709 5.554 -2.521 277 H LYS 32 H LYS 32 -9.570 1.628 3.926 278 HA LYS 32 HA LYS 32 -10.563 3.833 5.639 279 HB2 LYS 32 HB2 LYS 32 -10.350 0.838 6.128 280 HB3 LYS 32 HB3 LYS 32 -10.808 2.009 7.366 281 HG2 LYS 32 HG2 LYS 32 -12.774 2.671 5.963 282 HG3 LYS 32 HG3 LYS 32 -12.337 1.403 4.806 283 HD2 LYS 32 HD2 LYS 32 -12.718 -0.325 6.446 284 HD3 LYS 32 HD3 LYS 32 -12.890 0.867 7.741 285 HE2 LYS 32 HE2 LYS 32 -14.968 1.709 6.609 286 HE3 LYS 32 HE3 LYS 32 -14.808 0.402 5.430 287 HZ1 LYS 32 HZ1 LYS 32 -15.021 -1.197 7.214 288 HZ2 LYS 32 HZ2 LYS 32 -16.347 -0.154 7.206 289 HZ3 LYS 32 HZ3 LYS 32 -15.128 0.042 8.361 290 H ARG 33 H ARG 33 -8.929 5.032 6.434 291 HA ARG 33 HA ARG 33 -6.655 3.794 7.805 292 HB2 ARG 33 HB2 ARG 33 -6.362 5.558 5.355 293 HB3 ARG 33 HB3 ARG 33 -5.124 5.609 6.602 294 HG2 ARG 33 HG2 ARG 33 -5.945 3.175 4.977 295 HG3 ARG 33 HG3 ARG 33 -4.436 4.087 4.837 296 HD2 ARG 33 HD2 ARG 33 -3.881 3.457 7.188 297 HD3 ARG 33 HD3 ARG 33 -5.345 2.473 7.249 298 HE ARG 33 HE ARG 33 -4.176 1.358 5.210 299 HH11 ARG 33 HH11 ARG 33 -2.682 2.390 8.165 300 HH12 ARG 33 HH12 ARG 33 -1.473 1.159 8.100 301 HH21 ARG 33 HH21 ARG 33 -2.597 -0.200 5.160 302 HH22 ARG 33 HH22 ARG 33 -1.418 -0.279 6.418 303 H GLY 34 H GLY 34 -5.708 5.129 9.402 304 HA2 GLY 34 HA2 GLY 34 -7.496 6.965 10.681 305 HA3 GLY 34 HA3 GLY 34 -5.874 6.548 11.203 306 H ILE 35 H ILE 35 -4.686 7.455 8.600 307 HA ILE 35 HA ILE 35 -4.737 10.389 9.062 308 HB ILE 35 HB ILE 35 -2.616 8.673 7.680 309 HG12 ILE 35 HG12 ILE 35 -2.625 8.232 10.083 310 HG13 ILE 35 HG13 ILE 35 -1.205 9.192 9.685 311 HG21 ILE 35 HG21 ILE 35 -2.549 11.650 8.316 312 HG22 ILE 35 HG22 ILE 35 -2.595 10.916 6.707 313 HG23 ILE 35 HG23 ILE 35 -1.176 10.703 7.738 314 HD11 ILE 35 HD11 ILE 35 -2.347 11.192 10.519 315 HD12 ILE 35 HD12 ILE 35 -2.184 9.936 11.743 316 HD13 ILE 35 HD13 ILE 35 -3.741 10.199 10.958 317 H LEU 36 H LEU 36 -5.366 11.775 7.430 318 HA LEU 36 HA LEU 36 -6.902 10.810 5.249 319 HB2 LEU 36 HB2 LEU 36 -5.887 13.587 5.932 320 HB3 LEU 36 HB3 LEU 36 -6.796 13.296 4.465 321 HG LEU 36 HG LEU 36 -8.312 14.187 6.091 322 HD11 LEU 36 HD11 LEU 36 -10.032 12.468 6.243 323 HD12 LEU 36 HD12 LEU 36 -8.844 11.218 5.858 324 HD13 LEU 36 HD13 LEU 36 -9.248 12.454 4.664 325 HD21 LEU 36 HD21 LEU 36 -7.070 13.703 8.141 326 HD22 LEU 36 HD22 LEU 36 -7.494 11.994 8.020 327 HD23 LEU 36 HD23 LEU 36 -8.754 13.205 8.283 328 H GLU 37 H GLU 37 -3.581 12.125 5.325 329 HA GLU 37 HA GLU 37 -3.197 12.043 2.488 330 HB2 GLU 37 HB2 GLU 37 -1.527 12.709 4.843 331 HB3 GLU 37 HB3 GLU 37 -0.608 11.996 3.524 332 HG2 GLU 37 HG2 GLU 37 -2.445 14.384 3.188 333 HG3 GLU 37 HG3 GLU 37 -0.722 14.518 3.534 334 H THR 38 H THR 38 -2.415 9.739 5.063 335 HA THR 38 HA THR 38 -1.169 7.754 3.434 336 HB THR 38 HB THR 38 -2.676 7.429 6.063 337 HG1 THR 38 HG1 THR 38 0.097 7.348 6.006 338 HG21 THR 38 HG21 THR 38 -0.645 5.559 4.778 339 HG22 THR 38 HG22 THR 38 -2.382 5.255 4.877 340 HG23 THR 38 HG23 THR 38 -1.416 5.348 6.354 341 H ASP 39 H ASP 39 -4.499 8.454 4.317 342 HA ASP 39 HA ASP 39 -5.802 6.138 3.391 343 HB2 ASP 39 HB2 ASP 39 -6.850 7.777 4.913 344 HB3 ASP 39 HB3 ASP 39 -6.831 9.002 3.650 345 H LEU 40 H LEU 40 -5.473 9.341 1.794 346 HA LEU 40 HA LEU 40 -6.547 8.552 -0.720 347 HB2 LEU 40 HB2 LEU 40 -4.777 10.920 0.005 348 HB3 LEU 40 HB3 LEU 40 -5.630 10.748 -1.525 349 HG LEU 40 HG LEU 40 -6.947 11.012 1.213 350 HD11 LEU 40 HD11 LEU 40 -5.924 13.113 0.515 351 HD12 LEU 40 HD12 LEU 40 -7.681 13.227 0.473 352 HD13 LEU 40 HD13 LEU 40 -6.775 13.043 -1.033 353 HD21 LEU 40 HD21 LEU 40 -9.080 11.181 -0.018 354 HD22 LEU 40 HD22 LEU 40 -8.303 9.623 -0.277 355 HD23 LEU 40 HD23 LEU 40 -8.235 10.858 -1.537 356 H LEU 41 H LEU 41 -3.286 8.467 0.586 357 HA LEU 41 HA LEU 41 -1.812 7.951 -1.792 358 HB2 LEU 41 HB2 LEU 41 -0.685 8.585 0.267 359 HB3 LEU 41 HB3 LEU 41 -1.300 7.172 1.100 360 HG LEU 41 HG LEU 41 0.166 5.705 -0.267 361 HD11 LEU 41 HD11 LEU 41 0.265 6.997 -2.334 362 HD12 LEU 41 HD12 LEU 41 1.885 6.638 -1.745 363 HD13 LEU 41 HD13 LEU 41 1.208 8.257 -1.532 364 HD21 LEU 41 HD21 LEU 41 1.695 7.978 1.048 365 HD22 LEU 41 HD22 LEU 41 2.312 6.353 0.723 366 HD23 LEU 41 HD23 LEU 41 1.001 6.579 1.878 367 H LEU 42 H LEU 42 -3.038 5.631 0.668 368 HA LEU 42 HA LEU 42 -2.331 3.317 -0.894 369 HB2 LEU 42 HB2 LEU 42 -3.943 3.600 1.664 370 HB3 LEU 42 HB3 LEU 42 -3.482 2.058 0.956 371 HG LEU 42 HG LEU 42 -1.572 4.168 2.034 372 HD11 LEU 42 HD11 LEU 42 -1.023 2.501 3.749 373 HD12 LEU 42 HD12 LEU 42 -2.267 1.421 3.113 374 HD13 LEU 42 HD13 LEU 42 -2.718 2.977 3.817 375 HD21 LEU 42 HD21 LEU 42 0.220 2.523 1.586 376 HD22 LEU 42 HD22 LEU 42 -0.565 3.071 0.110 377 HD23 LEU 42 HD23 LEU 42 -0.948 1.478 0.769 378 H SER 43 H SER 43 -5.315 5.121 -0.421 379 HA SER 43 HA SER 43 -7.188 3.313 -1.523 380 HB2 SER 43 HB2 SER 43 -7.927 5.318 -0.329 381 HB3 SER 43 HB3 SER 43 -7.208 6.361 -1.553 382 HG SER 43 HG SER 43 -9.589 5.820 -1.608 383 H GLY 44 H GLY 44 -5.575 6.084 -3.129 384 HA2 GLY 44 HA2 GLY 44 -6.449 5.488 -5.772 385 HA3 GLY 44 HA3 GLY 44 -5.139 6.573 -5.331 386 H PHE 45 H PHE 45 -3.521 4.643 -3.976 387 HA PHE 45 HA PHE 45 -1.994 3.399 -5.989 388 HB2 PHE 45 HB2 PHE 45 -1.128 3.915 -3.708 389 HB3 PHE 45 HB3 PHE 45 -2.189 2.693 -3.021 390 HD1 PHE 45 HD1 PHE 45 0.789 3.233 -5.145 391 HD2 PHE 45 HD2 PHE 45 -1.561 0.337 -3.072 392 HE1 PHE 45 HE1 PHE 45 2.535 1.543 -5.493 393 HE2 PHE 45 HE2 PHE 45 0.199 -1.342 -3.421 394 HZ PHE 45 HZ PHE 45 2.250 -0.739 -4.635 395 H ALA 46 H ALA 46 -4.574 2.183 -3.908 396 HA ALA 46 HA ALA 46 -4.342 -0.554 -4.643 397 HB1 ALA 46 HB1 ALA 46 -6.395 -0.855 -3.374 398 HB2 ALA 46 HB2 ALA 46 -6.667 0.889 -3.351 399 HB3 ALA 46 HB3 ALA 46 -5.280 0.198 -2.505 400 H ALA 47 H ALA 47 -6.474 2.061 -5.768 401 HA ALA 47 HA ALA 47 -8.111 0.509 -7.497 402 HB1 ALA 47 HB1 ALA 47 -8.786 2.674 -8.464 403 HB2 ALA 47 HB2 ALA 47 -7.431 3.469 -7.651 404 HB3 ALA 47 HB3 ALA 47 -8.734 2.754 -6.701 405 H LYS 48 H LYS 48 -5.011 2.111 -7.986 406 HA LYS 48 HA LYS 48 -5.001 1.780 -10.885 407 HB2 LYS 48 HB2 LYS 48 -4.121 3.850 -9.891 408 HB3 LYS 48 HB3 LYS 48 -2.934 2.927 -8.974 409 HG2 LYS 48 HG2 LYS 48 -1.923 2.184 -11.166 410 HG3 LYS 48 HG3 LYS 48 -3.032 3.282 -11.993 411 HD2 LYS 48 HD2 LYS 48 -0.921 4.084 -9.954 412 HD3 LYS 48 HD3 LYS 48 -0.775 4.264 -11.697 413 HE2 LYS 48 HE2 LYS 48 -2.778 5.792 -11.633 414 HE3 LYS 48 HE3 LYS 48 -2.727 5.692 -9.870 415 HZ1 LYS 48 HZ1 LYS 48 -1.599 7.649 -10.701 416 HZ2 LYS 48 HZ2 LYS 48 -0.544 6.688 -11.605 417 HZ3 LYS 48 HZ3 LYS 48 -0.510 6.616 -9.918 418 H TYR 49 H TYR 49 -2.914 0.665 -8.185 419 HA TYR 49 HA TYR 49 -1.205 -0.835 -9.966 420 HB2 TYR 49 HB2 TYR 49 -1.137 -0.326 -6.981 421 HB3 TYR 49 HB3 TYR 49 -0.039 -1.480 -7.740 422 HD1 TYR 49 HD1 TYR 49 -1.068 2.123 -7.787 423 HD2 TYR 49 HD2 TYR 49 1.934 -0.723 -8.875 424 HE1 TYR 49 HE1 TYR 49 0.470 3.950 -8.362 425 HE2 TYR 49 HE2 TYR 49 3.462 1.116 -9.449 426 HH TYR 49 HH TYR 49 3.045 4.223 -8.491 427 H LEU 50 H LEU 50 -3.404 -1.777 -7.239 428 HA LEU 50 HA LEU 50 -2.970 -4.552 -7.378 429 HB2 LEU 50 HB2 LEU 50 -5.307 -2.929 -6.410 430 HB3 LEU 50 HB3 LEU 50 -5.512 -4.662 -6.573 431 HG LEU 50 HG LEU 50 -3.445 -4.911 -5.066 432 HD11 LEU 50 HD11 LEU 50 -2.872 -3.134 -3.587 433 HD12 LEU 50 HD12 LEU 50 -4.065 -2.065 -4.318 434 HD13 LEU 50 HD13 LEU 50 -2.647 -2.571 -5.246 435 HD21 LEU 50 HD21 LEU 50 -5.707 -5.406 -4.318 436 HD22 LEU 50 HD22 LEU 50 -5.956 -3.710 -3.894 437 HD23 LEU 50 HD23 LEU 50 -4.754 -4.671 -3.032 438 H LYS 51 H LYS 51 -4.894 -2.537 -9.438 439 HA LYS 51 HA LYS 51 -6.557 -4.325 -10.783 440 HB2 LYS 51 HB2 LYS 51 -6.496 -1.804 -10.965 441 HB3 LYS 51 HB3 LYS 51 -5.049 -1.941 -11.950 442 HG2 LYS 51 HG2 LYS 51 -6.889 -1.566 -13.419 443 HG3 LYS 51 HG3 LYS 51 -6.389 -3.246 -13.626 444 HD2 LYS 51 HD2 LYS 51 -8.850 -3.019 -13.583 445 HD3 LYS 51 HD3 LYS 51 -8.267 -4.006 -12.242 446 HE2 LYS 51 HE2 LYS 51 -10.081 -2.378 -11.609 447 HE3 LYS 51 HE3 LYS 51 -8.597 -2.186 -10.678 448 HZ1 LYS 51 HZ1 LYS 51 -9.545 -0.064 -11.400 449 HZ2 LYS 51 HZ2 LYS 51 -9.357 -0.517 -13.020 450 HZ3 LYS 51 HZ3 LYS 51 -7.999 -0.304 -12.035 451 H LYS 52 H LYS 52 -3.140 -3.544 -11.339 452 HA LYS 52 HA LYS 52 -2.907 -5.493 -13.549 453 HB2 LYS 52 HB2 LYS 52 -0.860 -4.215 -14.171 454 HB3 LYS 52 HB3 LYS 52 -2.335 -3.251 -14.206 455 HG2 LYS 52 HG2 LYS 52 -1.713 -2.368 -11.916 456 HG3 LYS 52 HG3 LYS 52 -0.159 -3.192 -12.085 457 HD2 LYS 52 HD2 LYS 52 -1.211 -1.123 -14.043 458 HD3 LYS 52 HD3 LYS 52 -0.147 -0.734 -12.688 459 HE2 LYS 52 HE2 LYS 52 0.537 -2.637 -14.963 460 HE3 LYS 52 HE3 LYS 52 1.093 -0.966 -14.832 461 HZ1 LYS 52 HZ1 LYS 52 2.752 -2.576 -14.070 462 HZ2 LYS 52 HZ2 LYS 52 1.693 -3.109 -12.864 463 HZ3 LYS 52 HZ3 LYS 52 2.279 -1.529 -12.832 464 H MET 53 H MET 53 -2.091 -5.160 -10.265 465 HA MET 53 HA MET 53 0.560 -6.127 -10.158 466 HB2 MET 53 HB2 MET 53 -0.597 -4.683 -8.449 467 HB3 MET 53 HB3 MET 53 -1.558 -6.073 -7.961 468 HG2 MET 53 HG2 MET 53 0.587 -7.232 -7.398 469 HG3 MET 53 HG3 MET 53 1.419 -5.712 -7.693 470 HE1 MET 53 HE1 MET 53 -0.054 -3.449 -4.800 471 HE2 MET 53 HE2 MET 53 -0.716 -3.563 -6.433 472 HE3 MET 53 HE3 MET 53 1.033 -3.502 -6.190 473 H ASN 54 H ASN 54 1.403 -8.122 -9.548 474 HA ASN 54 HA ASN 54 -0.023 -10.500 -10.268 475 HB2 ASN 54 HB2 ASN 54 2.385 -10.235 -10.684 476 HB3 ASN 54 HB3 ASN 54 2.703 -10.118 -8.963 477 HD21 ASN 54 HD21 ASN 54 4.087 -11.848 -8.890 478 HD22 ASN 54 HD22 ASN 54 3.598 -13.482 -9.166 479 H GLU 55 H GLU 55 -0.343 -12.346 -8.963 480 HA GLU 55 HA GLU 55 -1.898 -12.138 -6.682 481 HB2 GLU 55 HB2 GLU 55 -0.246 -14.554 -7.568 482 HB3 GLU 55 HB3 GLU 55 -1.545 -14.609 -6.385 483 HG2 GLU 55 HG2 GLU 55 -2.428 -15.458 -8.413 484 HG3 GLU 55 HG3 GLU 55 -3.134 -13.872 -8.161 485 H GLU 56 H GLU 56 1.544 -12.886 -6.890 486 HA GLU 56 HA GLU 56 2.089 -13.477 -4.175 487 HB2 GLU 56 HB2 GLU 56 3.942 -12.448 -6.362 488 HB3 GLU 56 HB3 GLU 56 4.469 -13.170 -4.840 489 HG2 GLU 56 HG2 GLU 56 3.466 -15.308 -5.468 490 HG3 GLU 56 HG3 GLU 56 2.833 -14.603 -6.958 491 H GLU 57 H GLU 57 2.499 -10.501 -6.056 492 HA GLU 57 HA GLU 57 3.533 -8.878 -3.951 493 HB2 GLU 57 HB2 GLU 57 2.277 -8.096 -6.603 494 HB3 GLU 57 HB3 GLU 57 3.180 -7.002 -5.556 495 HG2 GLU 57 HG2 GLU 57 5.216 -8.301 -5.894 496 HG3 GLU 57 HG3 GLU 57 4.333 -9.501 -6.839 497 H LEU 58 H LEU 58 0.230 -9.552 -5.075 498 HA LEU 58 HA LEU 58 -1.204 -7.634 -3.579 499 HB2 LEU 58 HB2 LEU 58 -1.985 -10.483 -4.307 500 HB3 LEU 58 HB3 LEU 58 -3.091 -9.328 -3.581 501 HG LEU 58 HG LEU 58 -1.836 -9.139 -6.349 502 HD11 LEU 58 HD11 LEU 58 -4.157 -9.337 -7.147 503 HD12 LEU 58 HD12 LEU 58 -4.717 -9.542 -5.482 504 HD13 LEU 58 HD13 LEU 58 -3.660 -10.751 -6.217 505 HD21 LEU 58 HD21 LEU 58 -3.695 -7.159 -4.990 506 HD22 LEU 58 HD22 LEU 58 -3.172 -7.100 -6.677 507 HD23 LEU 58 HD23 LEU 58 -1.995 -6.891 -5.385 508 H GLU 59 H GLU 59 0.143 -10.783 -2.581 509 HA GLU 59 HA GLU 59 -0.932 -10.722 0.090 510 HB2 GLU 59 HB2 GLU 59 1.410 -12.324 -1.015 511 HB3 GLU 59 HB3 GLU 59 0.611 -12.605 0.531 512 HG2 GLU 59 HG2 GLU 59 -1.524 -13.039 -0.774 513 HG3 GLU 59 HG3 GLU 59 -0.550 -12.987 -2.244 514 H GLU 60 H GLU 60 2.060 -9.579 -1.406 515 HA GLU 60 HA GLU 60 3.394 -8.706 0.957 516 HB2 GLU 60 HB2 GLU 60 4.538 -8.936 -1.236 517 HB3 GLU 60 HB3 GLU 60 3.554 -7.639 -1.891 518 HG2 GLU 60 HG2 GLU 60 5.719 -6.740 -1.444 519 HG3 GLU 60 HG3 GLU 60 4.609 -6.062 -0.259 520 H TYR 61 H TYR 61 0.960 -7.198 -1.165 521 HA TYR 61 HA TYR 61 0.789 -4.687 0.153 522 HB2 TYR 61 HB2 TYR 61 -0.071 -5.189 -2.156 523 HB3 TYR 61 HB3 TYR 61 -1.400 -6.089 -1.426 524 HD1 TYR 61 HD2 TYR 61 0.228 -2.712 -1.251 525 HD2 TYR 61 HD1 TYR 61 -3.419 -4.915 -1.015 526 HE1 TYR 61 HE2 TYR 61 -1.018 -0.618 -1.099 527 HE2 TYR 61 HE1 TYR 61 -4.674 -2.812 -0.848 528 HH TYR 61 HH TYR 61 -4.522 -0.580 -0.746 529 H ASP 62 H ASP 62 -0.895 -7.755 0.665 530 HA ASP 62 HA ASP 62 -2.784 -7.065 2.607 531 HB2 ASP 62 HB2 ASP 62 -2.348 -9.332 1.395 532 HB3 ASP 62 HB3 ASP 62 -1.170 -9.651 2.657 533 H SER 63 H SER 63 0.650 -7.870 2.937 534 HA SER 63 HA SER 63 1.027 -7.613 5.710 535 HB2 SER 63 HB2 SER 63 3.014 -6.904 3.509 536 HB3 SER 63 HB3 SER 63 3.407 -7.323 5.185 537 HG SER 63 HG SER 63 3.168 -8.947 3.137 538 H LEU 64 H LEU 64 1.172 -5.114 3.141 539 HA LEU 64 HA LEU 64 2.125 -2.942 4.680 540 HB2 LEU 64 HB2 LEU 64 2.115 -3.106 2.168 541 HB3 LEU 64 HB3 LEU 64 0.382 -2.842 2.192 542 HG LEU 64 HG LEU 64 0.793 -0.581 3.225 543 HD11 LEU 64 HD11 LEU 64 3.716 -1.158 2.658 544 HD12 LEU 64 HD12 LEU 64 2.967 -0.966 4.247 545 HD13 LEU 64 HD13 LEU 64 3.046 0.406 3.145 546 HD21 LEU 64 HD21 LEU 64 2.097 -1.017 0.517 547 HD22 LEU 64 HD22 LEU 64 1.534 0.532 1.151 548 HD23 LEU 64 HD23 LEU 64 0.378 -0.756 0.821 549 H LEU 65 H LEU 65 -1.089 -4.229 4.246 550 HA LEU 65 HA LEU 65 -2.593 -2.009 5.235 551 HB2 LEU 65 HB2 LEU 65 -3.327 -4.944 5.011 552 HB3 LEU 65 HB3 LEU 65 -4.474 -3.641 5.319 553 HG LEU 65 HG LEU 65 -2.763 -3.879 2.810 554 HD11 LEU 65 HD11 LEU 65 -4.409 -5.673 2.882 555 HD12 LEU 65 HD12 LEU 65 -4.779 -4.506 1.616 556 HD13 LEU 65 HD13 LEU 65 -5.705 -4.497 3.120 557 HD21 LEU 65 HD21 LEU 65 -5.014 -1.948 3.465 558 HD22 LEU 65 HD22 LEU 65 -4.181 -2.076 1.912 559 HD23 LEU 65 HD23 LEU 65 -3.296 -1.553 3.342 560 H ASN 66 H ASN 66 -0.822 -4.520 6.853 561 HA ASN 66 HA ASN 66 -2.039 -4.067 9.475 562 HB2 ASN 66 HB2 ASN 66 0.405 -5.719 8.690 563 HB3 ASN 66 HB3 ASN 66 -0.330 -5.690 10.292 564 HD21 ASN 66 HD21 ASN 66 -0.638 -6.842 7.028 565 HD22 ASN 66 HD22 ASN 66 -1.936 -7.935 7.328 566 H GLU 67 H GLU 67 0.348 -2.507 7.594 567 HA GLU 67 HA GLU 67 2.184 -1.788 9.713 568 HB2 GLU 67 HB2 GLU 67 1.981 -0.655 6.888 569 HB3 GLU 67 HB3 GLU 67 3.337 -0.443 7.994 570 HG2 GLU 67 HG2 GLU 67 2.426 -3.027 6.699 571 HG3 GLU 67 HG3 GLU 67 3.870 -2.103 6.304 572 H LEU 68 H LEU 68 2.785 0.494 10.106 573 HA LEU 68 HA LEU 68 0.509 1.916 11.152 574 HB2 LEU 68 HB2 LEU 68 3.462 2.643 11.204 575 HB3 LEU 68 HB3 LEU 68 2.201 3.380 12.185 576 HG LEU 68 HG LEU 68 3.120 0.482 12.379 577 HD11 LEU 68 HD11 LEU 68 3.592 2.791 14.291 578 HD12 LEU 68 HD12 LEU 68 4.800 2.038 13.245 579 HD13 LEU 68 HD13 LEU 68 4.065 1.108 14.549 580 HD21 LEU 68 HD21 LEU 68 1.055 1.984 14.022 581 HD22 LEU 68 HD22 LEU 68 1.657 0.362 14.379 582 HD23 LEU 68 HD23 LEU 68 0.747 0.656 12.900 583 H ASP 69 H ASP 69 -0.389 3.760 10.464 584 HA ASP 69 HA ASP 69 -0.539 4.473 7.838 585 HB2 ASP 69 HB2 ASP 69 -1.250 5.963 10.359 586 HB3 ASP 69 HB3 ASP 69 -1.530 6.711 8.786 587 H TRP 70 H TRP 70 0.971 6.835 10.156 588 HA TRP 70 HA TRP 70 2.046 8.501 8.157 589 HB2 TRP 70 HB2 TRP 70 2.754 8.161 11.073 590 HB3 TRP 70 HB3 TRP 70 3.755 9.186 10.057 591 HD1 TRP 70 HD1 TRP 70 0.983 9.530 12.361 592 HE1 TRP 70 HE1 TRP 70 -0.269 11.736 12.003 593 HE3 TRP 70 HE3 TRP 70 2.758 10.754 7.699 594 HZ2 TRP 70 HZ2 TRP 70 -0.512 13.718 10.025 595 HZ3 TRP 70 HZ3 TRP 70 1.949 12.830 6.643 596 HH2 TRP 70 HH2 TRP 70 0.344 14.284 7.787 597 H ASP 71 H ASP 71 3.455 5.599 9.686 598 HA ASP 71 HA ASP 71 6.123 5.933 8.799 599 HB2 ASP 71 HB2 ASP 71 4.527 3.444 9.526 600 HB3 ASP 71 HB3 ASP 71 6.251 3.403 9.152 601 H ILE 72 H ILE 72 3.412 4.123 7.311 602 HA ILE 72 HA ILE 72 4.566 3.236 4.926 603 HB ILE 72 HB ILE 72 1.728 4.231 5.429 604 HG12 ILE 72 HG12 ILE 72 2.806 1.379 5.379 605 HG13 ILE 72 HG13 ILE 72 2.473 2.296 6.843 606 HG21 ILE 72 HG21 ILE 72 2.714 2.586 3.069 607 HG22 ILE 72 HG22 ILE 72 2.138 4.252 3.008 608 HG23 ILE 72 HG23 ILE 72 1.024 2.952 3.427 609 HD11 ILE 72 HD11 ILE 72 0.701 0.721 6.375 610 HD12 ILE 72 HD12 ILE 72 0.442 1.436 4.785 611 HD13 ILE 72 HD13 ILE 72 0.096 2.373 6.242 612 H TYR 73 H TYR 73 3.074 6.371 5.644 613 HA TYR 73 HA TYR 73 3.189 7.545 3.092 614 HB2 TYR 73 HB2 TYR 73 1.760 8.400 4.906 615 HB3 TYR 73 HB3 TYR 73 3.177 8.848 5.848 616 HD1 TYR 73 HD2 TYR 73 1.350 9.590 2.676 617 HD2 TYR 73 HD1 TYR 73 4.198 11.006 5.539 618 HE1 TYR 73 HE2 TYR 73 1.351 11.792 1.587 619 HE2 TYR 73 HE1 TYR 73 4.204 13.207 4.442 620 HH TYR 73 HH TYR 73 1.901 14.059 1.998 621 H TYR 74 H TYR 74 5.546 7.613 5.779 622 HA TYR 74 HA TYR 74 7.325 9.465 4.437 623 HB2 TYR 74 HB2 TYR 74 7.571 7.920 7.030 624 HB3 TYR 74 HB3 TYR 74 8.845 8.973 6.420 625 HD1 TYR 74 HD1 TYR 74 8.093 11.456 5.834 626 HD2 TYR 74 HD2 TYR 74 5.938 8.874 8.457 627 HE1 TYR 74 HE1 TYR 74 7.021 13.404 6.871 628 HE2 TYR 74 HE2 TYR 74 4.861 10.817 9.484 629 HH TYR 74 HH TYR 74 5.303 13.210 9.793 630 H TRP 75 H TRP 75 7.179 5.931 4.765 631 HA TRP 75 HA TRP 75 9.731 5.380 3.612 632 HB2 TRP 75 HB2 TRP 75 7.187 3.711 3.460 633 HB3 TRP 75 HB3 TRP 75 8.812 3.135 3.100 634 HD1 TRP 75 HD1 TRP 75 10.037 4.620 5.882 635 HE1 TRP 75 HE1 TRP 75 9.641 3.359 8.083 636 HE3 TRP 75 HE3 TRP 75 6.177 1.592 4.416 637 HZ2 TRP 75 HZ2 TRP 75 7.943 1.347 9.073 638 HZ3 TRP 75 HZ3 TRP 75 5.224 0.022 6.057 639 HH2 TRP 75 HH2 TRP 75 6.090 -0.097 8.339 640 H ALA 76 H ALA 76 6.511 5.906 2.280 641 HA ALA 76 HA ALA 76 7.066 5.433 -0.461 642 HB1 ALA 76 HB1 ALA 76 4.813 5.363 0.541 643 HB2 ALA 76 HB2 ALA 76 4.877 6.447 -0.847 644 HB3 ALA 76 HB3 ALA 76 4.871 7.108 0.791 645 H THR 77 H THR 77 7.127 8.410 1.503 646 HA THR 77 HA THR 77 7.896 10.109 -0.753 647 HB THR 77 HB THR 77 7.959 11.965 0.915 648 HG1 THR 77 HG1 THR 77 6.809 10.435 2.928 649 HG21 THR 77 HG21 THR 77 5.420 10.299 1.081 650 HG22 THR 77 HG22 THR 77 5.811 11.464 -0.189 651 HG23 THR 77 HG23 THR 77 5.557 12.017 1.469 652 H LYS 78 H LYS 78 9.542 8.034 1.275 653 HA LYS 78 HA LYS 78 11.673 7.567 1.782 654 HB2 LYS 78 HB2 LYS 78 11.896 8.068 -0.728 655 HB3 LYS 78 HB3 LYS 78 12.545 9.637 -0.269 656 HG2 LYS 78 HG2 LYS 78 14.432 8.557 0.858 657 HG3 LYS 78 HG3 LYS 78 13.750 6.962 0.518 658 HD2 LYS 78 HD2 LYS 78 14.026 7.358 -1.914 659 HD3 LYS 78 HD3 LYS 78 14.685 8.965 -1.586 660 HE2 LYS 78 HE2 LYS 78 16.601 7.945 -0.414 661 HE3 LYS 78 HE3 LYS 78 15.928 6.338 -0.685 662 HZ1 LYS 78 HZ1 LYS 78 16.188 6.660 -3.055 663 HZ2 LYS 78 HZ2 LYS 78 17.666 6.875 -2.265 664 HZ3 LYS 78 HZ3 LYS 78 16.798 8.219 -2.810 665 H ASN 79 H ASN 79 10.236 9.851 3.096 666 HA ASN 79 HA ASN 79 12.388 11.538 4.172 667 HB2 ASN 79 HB2 ASN 79 9.375 11.585 4.629 668 HB3 ASN 79 HB3 ASN 79 10.506 12.702 5.388 669 HD21 ASN 79 HD21 ASN 79 8.257 13.131 3.486 670 HD22 ASN 79 HD22 ASN 79 8.951 14.026 2.185 671 H PHE 80 H PHE 80 13.509 9.792 5.249 672 HA PHE 80 HA PHE 80 12.130 8.179 7.244 673 HB2 PHE 80 HB2 PHE 80 15.078 8.218 6.495 674 HB3 PHE 80 HB3 PHE 80 14.273 6.986 7.464 675 HD1 PHE 80 HD1 PHE 80 11.812 6.394 5.988 676 HD2 PHE 80 HD2 PHE 80 15.735 7.191 4.475 677 HE1 PHE 80 HE1 PHE 80 11.298 5.117 3.953 678 HE2 PHE 80 HE2 PHE 80 15.206 5.910 2.447 679 HZ PHE 80 HZ PHE 80 12.988 4.875 2.179 680 H LYS 81 H LYS 81 12.962 11.242 7.537 681 HA LYS 81 HA LYS 81 14.606 11.538 9.797 682 HB2 LYS 81 HB2 LYS 81 12.305 13.310 8.886 683 HB3 LYS 81 HB3 LYS 81 13.552 13.779 10.040 684 HG2 LYS 81 HG2 LYS 81 15.258 13.472 8.203 685 HG3 LYS 81 HG3 LYS 81 13.920 13.190 7.082 686 HD2 LYS 81 HD2 LYS 81 14.634 15.515 6.907 687 HD3 LYS 81 HD3 LYS 81 13.024 15.464 7.629 688 HE2 LYS 81 HE2 LYS 81 14.080 15.721 9.888 689 HE3 LYS 81 HE3 LYS 81 15.657 15.866 9.105 690 HZ1 LYS 81 HZ1 LYS 81 13.347 17.700 8.800 691 HZ2 LYS 81 HZ2 LYS 81 14.791 17.825 7.931 692 HZ3 LYS 81 HZ3 LYS 81 14.796 18.018 9.609 693 H THR 82 H THR 82 11.062 11.200 9.579 694 HA THR 82 HA THR 82 10.729 11.112 12.511 695 HB THR 82 HB THR 82 8.321 11.180 12.070 696 HG1 THR 82 HG1 THR 82 7.704 10.207 10.288 697 HG21 THR 82 HG21 THR 82 8.085 13.276 10.787 698 HG22 THR 82 HG22 THR 82 9.734 13.095 10.186 699 HG23 THR 82 HG23 THR 82 9.448 13.373 11.908 700 H SER 83 H SER 83 10.531 9.090 9.650 701 HA SER 83 HA SER 83 9.891 6.664 11.210 702 HB2 SER 83 HB2 SER 83 8.417 7.756 8.791 703 HB3 SER 83 HB3 SER 83 8.298 6.052 9.266 704 HG SER 83 HG SER 83 6.964 6.623 10.765 705 HA PRO 84 HA PRO 84 13.549 5.716 8.459 706 HB2 PRO 84 HB2 PRO 84 13.974 3.747 10.695 707 HB3 PRO 84 HB3 PRO 84 15.134 4.822 9.903 708 HG2 PRO 84 HG2 PRO 84 14.249 5.394 12.352 709 HG3 PRO 84 HG3 PRO 84 14.460 6.693 11.154 710 HD2 PRO 84 HD2 PRO 84 11.908 5.306 12.011 711 HD3 PRO 84 HD3 PRO 84 12.218 7.041 11.763 712 H LEU 85 H LEU 85 13.919 3.898 7.150 713 HA LEU 85 HA LEU 85 11.652 2.167 6.690 714 HB2 LEU 85 HB2 LEU 85 13.024 3.259 4.872 715 HB3 LEU 85 HB3 LEU 85 14.359 2.203 5.301 716 HG LEU 85 HG LEU 85 12.935 0.222 4.713 717 HD11 LEU 85 HD11 LEU 85 10.715 1.203 5.089 718 HD12 LEU 85 HD12 LEU 85 10.846 0.550 3.458 719 HD13 LEU 85 HD13 LEU 85 10.950 2.292 3.716 720 HD21 LEU 85 HD21 LEU 85 13.063 0.513 2.268 721 HD22 LEU 85 HD22 LEU 85 14.518 1.097 3.072 722 HD23 LEU 85 HD23 LEU 85 13.314 2.249 2.483 723 HA PRO 86 HA PRO 86 13.568 -1.305 9.016 724 HB2 PRO 86 HB2 PRO 86 11.113 -2.816 8.330 725 HB3 PRO 86 HB3 PRO 86 11.714 -2.337 9.919 726 HG2 PRO 86 HG2 PRO 86 9.498 -1.214 8.825 727 HG3 PRO 86 HG3 PRO 86 10.596 -0.297 9.880 728 HD2 PRO 86 HD2 PRO 86 10.470 -0.330 6.853 729 HD3 PRO 86 HD3 PRO 86 10.573 1.067 7.955 730 H ASP 87 H ASP 87 14.393 -3.350 8.424 731 HA ASP 87 HA ASP 87 15.461 -3.547 5.851 732 HB2 ASP 87 HB2 ASP 87 15.231 -5.737 7.959 733 HB3 ASP 87 HB3 ASP 87 16.319 -5.771 6.571 734 H LYS 88 H LYS 88 12.555 -5.071 7.161 735 HA LYS 88 HA LYS 88 11.966 -6.979 5.230 736 HB2 LYS 88 HB2 LYS 88 9.551 -6.638 5.876 737 HB3 LYS 88 HB3 LYS 88 10.643 -6.888 7.231 738 HG2 LYS 88 HG2 LYS 88 10.607 -4.496 7.756 739 HG3 LYS 88 HG3 LYS 88 9.603 -4.173 6.342 740 HD2 LYS 88 HD2 LYS 88 8.768 -5.873 8.732 741 HD3 LYS 88 HD3 LYS 88 8.297 -4.193 8.469 742 HE2 LYS 88 HE2 LYS 88 7.155 -4.876 6.362 743 HE3 LYS 88 HE3 LYS 88 7.582 -6.554 6.697 744 HZ1 LYS 88 HZ1 LYS 88 5.337 -6.077 7.363 745 HZ2 LYS 88 HZ2 LYS 88 5.852 -4.827 8.378 746 HZ3 LYS 88 HZ3 LYS 88 6.273 -6.427 8.724 747 H TRP 89 H TRP 89 11.108 -3.482 5.114 748 HA TRP 89 HA TRP 89 9.806 -3.769 2.515 749 HB2 TRP 89 HB2 TRP 89 10.233 -1.334 4.285 750 HB3 TRP 89 HB3 TRP 89 9.415 -1.275 2.724 751 HD1 TRP 89 HD1 TRP 89 8.627 -1.680 6.305 752 HE1 TRP 89 HE1 TRP 89 6.246 -2.596 6.613 753 HE3 TRP 89 HE3 TRP 89 7.677 -3.167 1.500 754 HZ2 TRP 89 HZ2 TRP 89 4.237 -3.816 5.046 755 HZ3 TRP 89 HZ3 TRP 89 5.506 -4.205 0.989 756 HH2 TRP 89 HH2 TRP 89 3.818 -4.519 2.727 757 H ALA 90 H ALA 90 12.947 -3.016 3.664 758 HA ALA 90 HA ALA 90 13.998 -1.256 1.780 759 HB1 ALA 90 HB1 ALA 90 15.166 -1.934 3.827 760 HB2 ALA 90 HB2 ALA 90 16.200 -2.160 2.413 761 HB3 ALA 90 HB3 ALA 90 15.411 -3.551 3.167 762 H ASN 91 H ASN 91 13.252 -4.659 1.357 763 HA ASN 91 HA ASN 91 14.542 -4.701 -1.328 764 HB2 ASN 91 HB2 ASN 91 14.744 -7.154 -1.042 765 HB3 ASN 91 HB3 ASN 91 15.573 -6.288 0.243 766 HD21 ASN 91 HD21 ASN 91 14.567 -6.227 2.353 767 HD22 ASN 91 HD22 ASN 91 13.440 -7.450 2.819 768 H SER 92 H SER 92 11.540 -4.295 -0.021 769 HA SER 92 HA SER 92 9.976 -6.290 -1.377 770 HB2 SER 92 HB2 SER 92 9.119 -3.686 -0.051 771 HB3 SER 92 HB3 SER 92 8.004 -4.915 -0.653 772 HG SER 92 HG SER 92 8.253 -5.844 1.196 773 H LYS 93 H LYS 93 9.180 -6.314 -3.370 774 HA LYS 93 HA LYS 93 9.529 -4.465 -5.447 775 HB2 LYS 93 HB2 LYS 93 7.326 -6.544 -5.063 776 HB3 LYS 93 HB3 LYS 93 7.698 -5.759 -6.596 777 HG2 LYS 93 HG2 LYS 93 9.696 -7.453 -5.064 778 HG3 LYS 93 HG3 LYS 93 8.610 -8.109 -6.287 779 HD2 LYS 93 HD2 LYS 93 10.407 -5.775 -7.006 780 HD3 LYS 93 HD3 LYS 93 11.090 -7.398 -6.920 781 HE2 LYS 93 HE2 LYS 93 10.417 -6.802 -9.225 782 HE3 LYS 93 HE3 LYS 93 9.524 -8.190 -8.617 783 HZ1 LYS 93 HZ1 LYS 93 8.474 -5.423 -8.708 784 HZ2 LYS 93 HZ2 LYS 93 7.620 -6.813 -8.257 785 HZ3 LYS 93 HZ3 LYS 93 8.154 -6.624 -9.847 786 H LEU 94 H LEU 94 6.798 -4.921 -3.245 787 HA LEU 94 HA LEU 94 4.909 -3.176 -4.288 788 HB2 LEU 94 HB2 LEU 94 4.531 -4.849 -2.488 789 HB3 LEU 94 HB3 LEU 94 5.431 -3.830 -1.376 790 HG LEU 94 HG LEU 94 3.658 -2.011 -1.832 791 HD11 LEU 94 HD11 LEU 94 2.124 -4.361 -2.974 792 HD12 LEU 94 HD12 LEU 94 2.693 -2.943 -3.865 793 HD13 LEU 94 HD13 LEU 94 1.468 -2.760 -2.613 794 HD21 LEU 94 HD21 LEU 94 2.831 -4.542 -0.394 795 HD22 LEU 94 HD22 LEU 94 2.085 -2.954 -0.196 796 HD23 LEU 94 HD23 LEU 94 3.763 -3.201 0.276 797 H LEU 95 H LEU 95 7.424 -2.468 -1.817 798 HA LEU 95 HA LEU 95 6.669 0.168 -1.193 799 HB2 LEU 95 HB2 LEU 95 8.285 -1.141 0.165 800 HB3 LEU 95 HB3 LEU 95 9.466 -1.017 -1.131 801 HG LEU 95 HG LEU 95 9.324 1.540 -0.850 802 HD11 LEU 95 HD11 LEU 95 7.219 1.658 0.371 803 HD12 LEU 95 HD12 LEU 95 8.523 2.431 1.268 804 HD13 LEU 95 HD13 LEU 95 7.949 0.832 1.752 805 HD21 LEU 95 HD21 LEU 95 10.463 -0.033 1.471 806 HD22 LEU 95 HD22 LEU 95 10.900 1.613 1.007 807 HD23 LEU 95 HD23 LEU 95 11.258 0.271 -0.076 808 H LYS 96 H LYS 96 8.841 -1.052 -3.712 809 HA LYS 96 HA LYS 96 9.858 1.398 -4.698 810 HB2 LYS 96 HB2 LYS 96 9.383 -1.237 -6.156 811 HB3 LYS 96 HB3 LYS 96 10.400 0.080 -6.750 812 HG2 LYS 96 HG2 LYS 96 11.927 -0.193 -4.868 813 HG3 LYS 96 HG3 LYS 96 10.883 -1.432 -4.159 814 HD2 LYS 96 HD2 LYS 96 11.338 -2.939 -6.031 815 HD3 LYS 96 HD3 LYS 96 12.272 -1.683 -6.857 816 HE2 LYS 96 HE2 LYS 96 13.003 -2.936 -4.181 817 HE3 LYS 96 HE3 LYS 96 13.730 -3.344 -5.734 818 HZ1 LYS 96 HZ1 LYS 96 14.515 -1.051 -5.913 819 HZ2 LYS 96 HZ2 LYS 96 15.122 -1.810 -4.531 820 HZ3 LYS 96 HZ3 LYS 96 13.861 -0.692 -4.394 821 H GLN 97 H GLN 97 6.990 -0.476 -5.597 822 HA GLN 97 HA GLN 97 5.948 1.243 -7.621 823 HB2 GLN 97 HB2 GLN 97 4.521 -0.753 -5.812 824 HB3 GLN 97 HB3 GLN 97 3.845 -0.056 -7.282 825 HG2 GLN 97 HG2 GLN 97 5.521 -1.190 -8.637 826 HG3 GLN 97 HG3 GLN 97 6.329 -1.795 -7.191 827 HE21 GLN 97 HE21 GLN 97 6.092 -3.942 -7.808 828 HE22 GLN 97 HE22 GLN 97 4.574 -4.762 -7.790 829 H LEU 98 H LEU 98 5.596 1.114 -4.114 830 HA LEU 98 HA LEU 98 3.391 2.894 -3.807 831 HB2 LEU 98 HB2 LEU 98 4.097 1.212 -2.107 832 HB3 LEU 98 HB3 LEU 98 5.565 2.128 -1.817 833 HG LEU 98 HG LEU 98 4.193 4.024 -0.940 834 HD11 LEU 98 HD11 LEU 98 2.119 3.658 -2.170 835 HD12 LEU 98 HD12 LEU 98 1.808 3.715 -0.436 836 HD13 LEU 98 HD13 LEU 98 1.825 2.161 -1.278 837 HD21 LEU 98 HD21 LEU 98 3.591 2.990 1.203 838 HD22 LEU 98 HD22 LEU 98 5.134 2.371 0.617 839 HD23 LEU 98 HD23 LEU 98 3.677 1.383 0.471 840 H GLN 99 H GLN 99 6.906 3.361 -3.675 841 HA GLN 99 HA GLN 99 6.974 6.155 -3.220 842 HB2 GLN 99 HB2 GLN 99 8.964 4.321 -4.616 843 HB3 GLN 99 HB3 GLN 99 9.301 6.008 -4.227 844 HG2 GLN 99 HG2 GLN 99 9.012 5.519 -1.828 845 HG3 GLN 99 HG3 GLN 99 8.652 3.835 -2.209 846 HE21 GLN 99 HE21 GLN 99 10.397 3.147 -0.914 847 HE22 GLN 99 HE22 GLN 99 12.038 3.313 -1.416 848 H GLU 100 H GLU 100 6.735 4.283 -6.247 849 HA GLU 100 HA GLU 100 6.933 6.427 -8.086 850 HB2 GLU 100 HB2 GLU 100 5.478 3.770 -8.359 851 HB3 GLU 100 HB3 GLU 100 5.718 4.897 -9.694 852 HG2 GLU 100 HG2 GLU 100 7.934 3.553 -8.117 853 HG3 GLU 100 HG3 GLU 100 7.340 3.028 -9.689 854 H PHE 101 H PHE 101 4.112 5.078 -6.383 855 HA PHE 101 HA PHE 101 2.220 6.815 -7.698 856 HB2 PHE 101 HB2 PHE 101 1.544 4.626 -6.687 857 HB3 PHE 101 HB3 PHE 101 1.831 5.304 -5.083 858 HD1 PHE 101 HD2 PHE 101 -0.107 5.958 -8.225 859 HD2 PHE 101 HD1 PHE 101 0.035 6.420 -3.979 860 HE1 PHE 101 HE2 PHE 101 -2.333 6.968 -8.258 861 HE2 PHE 101 HE1 PHE 101 -2.195 7.437 -4.024 862 HZ PHE 101 HZ PHE 101 -3.385 7.724 -6.160 863 H SER 102 H SER 102 3.843 6.828 -4.550 864 HA SER 102 HA SER 102 2.605 8.871 -3.192 865 HB2 SER 102 HB2 SER 102 4.313 7.451 -2.180 866 HB3 SER 102 HB3 SER 102 5.560 8.154 -3.208 867 HG SER 102 HG SER 102 5.777 9.655 -1.775 868 H GLU 103 H GLU 103 5.465 9.234 -5.273 869 HA GLU 103 HA GLU 103 5.598 12.104 -4.953 870 HB2 GLU 103 HB2 GLU 103 7.118 10.329 -6.908 871 HB3 GLU 103 HB3 GLU 103 7.583 11.945 -6.366 872 HG2 GLU 103 HG2 GLU 103 7.438 9.453 -4.628 873 HG3 GLU 103 HG3 GLU 103 8.907 10.180 -5.262 874 H ASN 104 H ASN 104 4.084 9.942 -7.178 875 HA ASN 104 HA ASN 104 3.420 12.132 -9.081 876 HB2 ASN 104 HB2 ASN 104 3.588 9.126 -9.591 877 HB3 ASN 104 HB3 ASN 104 3.125 10.336 -10.784 878 HD21 ASN 104 HD21 ASN 104 5.777 9.067 -8.875 879 HD22 ASN 104 HD22 ASN 104 7.043 9.773 -9.811 880 H LYS 105 H LYS 105 1.941 11.640 -6.601 881 HA LYS 105 HA LYS 105 -0.606 10.475 -7.235 882 HB2 LYS 105 HB2 LYS 105 0.159 12.503 -5.085 883 HB3 LYS 105 HB3 LYS 105 -1.480 11.886 -5.277 884 HG2 LYS 105 HG2 LYS 105 -0.588 9.568 -4.908 885 HG3 LYS 105 HG3 LYS 105 0.990 10.273 -4.557 886 HD2 LYS 105 HD2 LYS 105 -1.580 10.784 -2.997 887 HD3 LYS 105 HD3 LYS 105 -0.264 9.724 -2.487 888 HE2 LYS 105 HE2 LYS 105 1.259 11.702 -2.422 889 HE3 LYS 105 HE3 LYS 105 -0.103 12.738 -2.862 890 HZ1 LYS 105 HZ1 LYS 105 0.260 12.791 -0.510 891 HZ2 LYS 105 HZ2 LYS 105 0.155 11.110 -0.400 892 HZ3 LYS 105 HZ3 LYS 105 -1.212 12.018 -0.812 893 H GLU 106 H GLU 106 -1.170 11.216 -9.238 894 HA GLU 106 HA GLU 106 -1.996 14.053 -9.530 895 HB2 GLU 106 HB2 GLU 106 -0.884 12.162 -11.656 896 HB3 GLU 106 HB3 GLU 106 -1.488 13.788 -11.966 897 HG2 GLU 106 HG2 GLU 106 0.314 14.757 -10.634 898 HG3 GLU 106 HG3 GLU 106 0.889 13.151 -10.188 899 H LYS 107 H LYS 107 -3.476 11.463 -8.701 900 HA LYS 107 HA LYS 107 -5.431 10.958 -10.741 901 HB2 LYS 107 HB2 LYS 107 -5.320 10.218 -7.802 902 HB3 LYS 107 HB3 LYS 107 -6.706 9.825 -8.812 903 HG2 LYS 107 HG2 LYS 107 -5.193 8.522 -10.316 904 HG3 LYS 107 HG3 LYS 107 -3.858 8.851 -9.211 905 HD2 LYS 107 HD2 LYS 107 -4.651 6.647 -8.705 906 HD3 LYS 107 HD3 LYS 107 -5.188 7.690 -7.393 907 HE2 LYS 107 HE2 LYS 107 -6.959 6.837 -9.716 908 HE3 LYS 107 HE3 LYS 107 -6.893 5.994 -8.172 909 HZ1 LYS 107 HZ1 LYS 107 -7.898 8.727 -8.713 910 HZ2 LYS 107 HZ2 LYS 107 -7.584 8.176 -7.150 911 HZ3 LYS 107 HZ3 LYS 107 -8.750 7.403 -8.099 912 H GLU 108 H GLU 108 -5.906 13.132 -11.225 913 HA GLU 108 HA GLU 108 -8.255 14.221 -9.971 914 HB2 GLU 108 HB2 GLU 108 -7.248 16.453 -9.521 915 HB3 GLU 108 HB3 GLU 108 -6.524 15.199 -8.523 916 HG2 GLU 108 HG2 GLU 108 -4.607 15.114 -10.166 917 HG3 GLU 108 HG3 GLU 108 -5.313 16.519 -10.970 918 H ILE 109 H ILE 109 -8.966 16.235 -11.219 919 HA ILE 109 HA ILE 109 -8.676 15.716 -14.092 920 HB ILE 109 HB ILE 109 -10.616 17.445 -12.501 921 HG12 ILE 109 HG12 ILE 109 -12.353 15.912 -13.550 922 HG13 ILE 109 HG13 ILE 109 -11.049 14.962 -14.239 923 HG21 ILE 109 HG21 ILE 109 -10.468 17.268 -15.535 924 HG22 ILE 109 HG22 ILE 109 -10.160 18.701 -14.551 925 HG23 ILE 109 HG23 ILE 109 -11.782 18.016 -14.621 926 HD11 ILE 109 HD11 ILE 109 -10.328 14.339 -11.990 927 HD12 ILE 109 HD12 ILE 109 -12.013 13.913 -12.285 928 HD13 ILE 109 HD13 ILE 109 -11.622 15.323 -11.300 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -21.239 -39.954 -16.451 2 H2 MET 1 H2 MET 1 -22.141 -38.692 -17.117 3 H3 MET 1 H3 MET 1 -22.318 -39.084 -15.481 4 HA MET 1 HA MET 1 -20.063 -38.424 -15.025 5 HB2 MET 1 HB2 MET 1 -19.990 -37.562 -17.952 6 HB3 MET 1 HB3 MET 1 -18.720 -37.260 -16.771 7 HG2 MET 1 HG2 MET 1 -18.067 -39.097 -18.186 8 HG3 MET 1 HG3 MET 1 -18.382 -39.717 -16.562 9 HE1 MET 1 HE1 MET 1 -19.529 -42.695 -18.874 10 HE2 MET 1 HE2 MET 1 -18.467 -42.212 -17.550 11 HE3 MET 1 HE3 MET 1 -18.180 -41.601 -19.181 12 H GLY 2 H GLY 2 -19.733 -36.300 -14.195 13 HA2 GLY 2 HA2 GLY 2 -20.690 -33.892 -15.113 14 HA3 GLY 2 HA3 GLY 2 -22.044 -34.565 -14.218 15 H HIS 3 H HIS 3 -19.977 -32.260 -13.833 16 HA HIS 3 HA HIS 3 -19.276 -32.805 -11.007 17 HB2 HIS 3 HB2 HIS 3 -18.309 -30.635 -12.925 18 HB3 HIS 3 HB3 HIS 3 -17.883 -30.699 -11.216 19 HD1 HIS 3 HD1 HIS 3 -17.496 -32.851 -14.359 20 HD2 HIS 3 HD2 HIS 3 -15.643 -32.172 -10.700 21 HE1 HIS 3 HE1 HIS 3 -15.382 -34.200 -14.418 22 HE2 HIS 3 HE2 HIS 3 -14.187 -33.600 -12.291 23 H HIS 4 H HIS 4 -21.513 -32.644 -10.378 24 HA HIS 4 HA HIS 4 -23.017 -30.194 -10.738 25 HB2 HIS 4 HB2 HIS 4 -24.135 -32.410 -10.679 26 HB3 HIS 4 HB3 HIS 4 -23.623 -32.642 -9.016 27 HD1 HIS 4 HD1 HIS 4 -24.984 -31.483 -7.189 28 HD2 HIS 4 HD2 HIS 4 -26.267 -30.547 -11.030 29 HE1 HIS 4 HE1 HIS 4 -27.182 -30.310 -6.891 30 HE2 HIS 4 HE2 HIS 4 -28.014 -29.908 -9.230 31 H HIS 5 H HIS 5 -22.687 -28.418 -9.527 32 HA HIS 5 HA HIS 5 -21.244 -28.300 -7.089 33 HB2 HIS 5 HB2 HIS 5 -22.001 -25.936 -6.972 34 HB3 HIS 5 HB3 HIS 5 -21.376 -26.349 -8.559 35 HD1 HIS 5 HD1 HIS 5 -23.001 -26.244 -10.548 36 HD2 HIS 5 HD2 HIS 5 -24.771 -25.311 -6.910 37 HE1 HIS 5 HE1 HIS 5 -25.261 -25.331 -11.119 38 HE2 HIS 5 HE2 HIS 5 -26.233 -24.597 -8.921 39 H HIS 6 H HIS 6 -21.934 -28.083 -4.928 40 HA HIS 6 HA HIS 6 -24.431 -29.549 -4.385 41 HB2 HIS 6 HB2 HIS 6 -22.194 -28.919 -2.423 42 HB3 HIS 6 HB3 HIS 6 -23.429 -30.169 -2.274 43 HD1 HIS 6 HD1 HIS 6 -20.024 -29.600 -3.438 44 HD2 HIS 6 HD2 HIS 6 -23.037 -32.350 -4.243 45 HE1 HIS 6 HE1 HIS 6 -18.894 -31.505 -4.606 46 HE2 HIS 6 HE2 HIS 6 -20.689 -33.233 -4.888 47 H HIS 7 H HIS 7 -25.643 -27.498 -4.911 48 HA HIS 7 HA HIS 7 -25.467 -25.254 -3.065 49 HB2 HIS 7 HB2 HIS 7 -25.833 -24.859 -5.478 50 HB3 HIS 7 HB3 HIS 7 -27.345 -25.756 -5.419 51 HD1 HIS 7 HD1 HIS 7 -25.831 -22.650 -3.815 52 HD2 HIS 7 HD2 HIS 7 -29.508 -24.131 -5.053 53 HE1 HIS 7 HE1 HIS 7 -27.460 -20.778 -3.454 54 HE2 HIS 7 HE2 HIS 7 -29.688 -21.728 -4.114 55 H HIS 8 H HIS 8 -26.010 -26.477 -1.143 56 HA HIS 8 HA HIS 8 -28.907 -26.329 -0.597 57 HB2 HIS 8 HB2 HIS 8 -27.080 -28.626 0.242 58 HB3 HIS 8 HB3 HIS 8 -28.635 -28.320 1.006 59 HD1 HIS 8 HD1 HIS 8 -30.704 -29.192 -0.169 60 HD2 HIS 8 HD2 HIS 8 -27.300 -29.479 -2.538 61 HE1 HIS 8 HE1 HIS 8 -31.386 -30.542 -2.167 62 HE2 HIS 8 HE2 HIS 8 -29.297 -30.796 -3.534 63 H SER 9 H SER 9 -29.312 -25.018 1.070 64 HA SER 9 HA SER 9 -27.242 -23.390 2.103 65 HB2 SER 9 HB2 SER 9 -30.181 -23.512 2.881 66 HB3 SER 9 HB3 SER 9 -29.069 -22.223 3.349 67 HG SER 9 HG SER 9 -30.336 -21.726 1.478 68 H HIS 10 H HIS 10 -28.719 -26.262 3.478 69 HA HIS 10 HA HIS 10 -28.209 -25.652 6.238 70 HB2 HIS 10 HB2 HIS 10 -28.863 -27.929 6.720 71 HB3 HIS 10 HB3 HIS 10 -29.930 -27.300 5.475 72 HD1 HIS 10 HD1 HIS 10 -29.843 -28.452 3.144 73 HD2 HIS 10 HD2 HIS 10 -27.246 -30.097 5.939 74 HE1 HIS 10 HE1 HIS 10 -28.991 -30.571 2.108 75 HE2 HIS 10 HE2 HIS 10 -27.323 -31.469 3.750 76 H MET 11 H MET 11 -26.211 -27.026 3.698 77 HA MET 11 HA MET 11 -24.237 -28.206 5.474 78 HB2 MET 11 HB2 MET 11 -24.732 -29.123 3.188 79 HB3 MET 11 HB3 MET 11 -24.051 -27.668 2.470 80 HG2 MET 11 HG2 MET 11 -22.469 -29.556 4.244 81 HG3 MET 11 HG3 MET 11 -22.532 -29.681 2.486 82 HE1 MET 11 HE1 MET 11 -19.743 -29.563 2.597 83 HE2 MET 11 HE2 MET 11 -19.826 -29.338 4.345 84 HE3 MET 11 HE3 MET 11 -18.899 -28.212 3.354 85 H ILE 12 H ILE 12 -22.624 -27.123 6.457 86 HA ILE 12 HA ILE 12 -22.288 -24.267 6.043 87 HB ILE 12 HB ILE 12 -20.769 -26.039 8.004 88 HG12 ILE 12 HG12 ILE 12 -23.195 -26.320 8.397 89 HG13 ILE 12 HG13 ILE 12 -22.452 -25.429 9.717 90 HG21 ILE 12 HG21 ILE 12 -21.265 -23.031 8.032 91 HG22 ILE 12 HG22 ILE 12 -19.731 -23.832 7.689 92 HG23 ILE 12 HG23 ILE 12 -20.441 -23.946 9.299 93 HD11 ILE 12 HD11 ILE 12 -24.098 -24.227 7.485 94 HD12 ILE 12 HD12 ILE 12 -23.369 -23.341 8.830 95 HD13 ILE 12 HD13 ILE 12 -24.629 -24.534 9.139 96 H LYS 13 H LYS 13 -21.070 -23.656 4.372 97 HA LYS 13 HA LYS 13 -18.315 -24.681 4.070 98 HB2 LYS 13 HB2 LYS 13 -18.789 -24.154 1.468 99 HB3 LYS 13 HB3 LYS 13 -19.112 -25.720 2.185 100 HG2 LYS 13 HG2 LYS 13 -21.024 -25.335 0.910 101 HG3 LYS 13 HG3 LYS 13 -21.530 -24.873 2.535 102 HD2 LYS 13 HD2 LYS 13 -21.054 -22.462 1.892 103 HD3 LYS 13 HD3 LYS 13 -20.770 -23.022 0.242 104 HE2 LYS 13 HE2 LYS 13 -23.043 -22.177 0.416 105 HE3 LYS 13 HE3 LYS 13 -23.105 -23.924 0.190 106 HZ1 LYS 13 HZ1 LYS 13 -23.556 -24.214 2.510 107 HZ2 LYS 13 HZ2 LYS 13 -24.649 -23.081 1.893 108 HZ3 LYS 13 HZ3 LYS 13 -23.337 -22.567 2.825 109 H ARG 14 H ARG 14 -17.463 -22.993 5.167 110 HA ARG 14 HA ARG 14 -18.229 -20.255 4.863 111 HB2 ARG 14 HB2 ARG 14 -17.300 -21.148 6.976 112 HB3 ARG 14 HB3 ARG 14 -15.752 -21.432 6.185 113 HG2 ARG 14 HG2 ARG 14 -15.502 -18.981 5.816 114 HG3 ARG 14 HG3 ARG 14 -17.051 -18.715 6.618 115 HD2 ARG 14 HD2 ARG 14 -16.107 -19.677 8.707 116 HD3 ARG 14 HD3 ARG 14 -14.549 -19.874 7.891 117 HE ARG 14 HE ARG 14 -15.218 -17.226 7.582 118 HH11 ARG 14 HH11 ARG 14 -14.578 -19.268 10.295 119 HH12 ARG 14 HH12 ARG 14 -14.101 -17.949 11.300 120 HH21 ARG 14 HH21 ARG 14 -14.587 -15.571 8.874 121 HH22 ARG 14 HH22 ARG 14 -14.095 -15.886 10.498 122 H THR 15 H THR 15 -15.378 -22.104 3.707 123 HA THR 15 HA THR 15 -14.063 -19.846 2.525 124 HB THR 15 HB THR 15 -13.528 -22.791 1.929 125 HG1 THR 15 HG1 THR 15 -11.702 -21.925 3.557 126 HG21 THR 15 HG21 THR 15 -11.733 -20.341 1.645 127 HG22 THR 15 HG22 THR 15 -12.443 -21.260 0.315 128 HG23 THR 15 HG23 THR 15 -11.240 -22.012 1.363 129 H ASN 16 H ASN 16 -15.780 -18.957 1.255 130 HA ASN 16 HA ASN 16 -15.989 -20.132 -1.472 131 HB2 ASN 16 HB2 ASN 16 -17.932 -18.221 -0.094 132 HB3 ASN 16 HB3 ASN 16 -18.098 -18.838 -1.731 133 HD21 ASN 16 HD21 ASN 16 -17.260 -21.590 -0.904 134 HD22 ASN 16 HD22 ASN 16 -18.620 -22.228 -0.062 135 H GLU 17 H GLU 17 -13.723 -18.857 -0.754 136 HA GLU 17 HA GLU 17 -13.796 -16.011 -1.502 137 HB2 GLU 17 HB2 GLU 17 -12.554 -16.638 0.550 138 HB3 GLU 17 HB3 GLU 17 -11.558 -17.757 -0.374 139 HG2 GLU 17 HG2 GLU 17 -10.796 -15.682 -1.727 140 HG3 GLU 17 HG3 GLU 17 -11.532 -14.727 -0.441 141 HA PRO 18 HA PRO 18 -11.704 -17.075 -5.513 142 HB2 PRO 18 HB2 PRO 18 -12.536 -14.840 -6.836 143 HB3 PRO 18 HB3 PRO 18 -13.548 -16.289 -6.739 144 HG2 PRO 18 HG2 PRO 18 -13.660 -13.789 -5.045 145 HG3 PRO 18 HG3 PRO 18 -14.996 -14.653 -5.841 146 HD2 PRO 18 HD2 PRO 18 -14.431 -15.012 -3.203 147 HD3 PRO 18 HD3 PRO 18 -15.049 -16.337 -4.214 148 H LEU 19 H LEU 19 -9.941 -15.813 -6.446 149 HA LEU 19 HA LEU 19 -8.312 -14.433 -4.590 150 HB2 LEU 19 HB2 LEU 19 -7.765 -15.798 -6.803 151 HB3 LEU 19 HB3 LEU 19 -7.905 -14.243 -7.590 152 HG LEU 19 HG LEU 19 -5.567 -14.945 -7.087 153 HD11 LEU 19 HD11 LEU 19 -6.350 -12.399 -5.666 154 HD12 LEU 19 HD12 LEU 19 -6.027 -12.574 -7.392 155 HD13 LEU 19 HD13 LEU 19 -4.727 -12.830 -6.225 156 HD21 LEU 19 HD21 LEU 19 -6.296 -14.571 -4.170 157 HD22 LEU 19 HD22 LEU 19 -4.683 -14.907 -4.813 158 HD23 LEU 19 HD23 LEU 19 -5.959 -16.114 -4.964 159 H ASP 20 H ASP 20 -10.641 -13.358 -6.981 160 HA ASP 20 HA ASP 20 -10.159 -10.582 -7.003 161 HB2 ASP 20 HB2 ASP 20 -12.777 -12.091 -7.358 162 HB3 ASP 20 HB3 ASP 20 -12.529 -10.398 -7.788 163 H LYS 21 H LYS 21 -11.904 -12.550 -4.582 164 HA LYS 21 HA LYS 21 -12.932 -10.294 -3.121 165 HB2 LYS 21 HB2 LYS 21 -12.788 -13.241 -2.558 166 HB3 LYS 21 HB3 LYS 21 -12.967 -12.172 -1.170 167 HG2 LYS 21 HG2 LYS 21 -14.967 -11.144 -2.352 168 HG3 LYS 21 HG3 LYS 21 -14.843 -12.447 -3.537 169 HD2 LYS 21 HD2 LYS 21 -15.272 -14.126 -1.837 170 HD3 LYS 21 HD3 LYS 21 -15.163 -12.925 -0.545 171 HE2 LYS 21 HE2 LYS 21 -17.507 -13.563 -1.056 172 HE3 LYS 21 HE3 LYS 21 -17.209 -11.847 -1.331 173 HZ1 LYS 21 HZ1 LYS 21 -17.084 -12.251 -3.683 174 HZ2 LYS 21 HZ2 LYS 21 -18.526 -12.897 -3.082 175 HZ3 LYS 21 HZ3 LYS 21 -17.237 -13.920 -3.452 176 H LYS 22 H LYS 22 -9.846 -12.017 -3.048 177 HA LYS 22 HA LYS 22 -8.804 -10.714 -0.719 178 HB2 LYS 22 HB2 LYS 22 -7.675 -12.702 -1.691 179 HB3 LYS 22 HB3 LYS 22 -7.278 -11.779 -3.141 180 HG2 LYS 22 HG2 LYS 22 -5.919 -10.210 -1.703 181 HG3 LYS 22 HG3 LYS 22 -6.250 -11.266 -0.326 182 HD2 LYS 22 HD2 LYS 22 -5.171 -13.150 -1.682 183 HD3 LYS 22 HD3 LYS 22 -4.658 -11.898 -2.821 184 HE2 LYS 22 HE2 LYS 22 -3.275 -10.840 -1.160 185 HE3 LYS 22 HE3 LYS 22 -3.956 -11.832 0.128 186 HZ1 LYS 22 HZ1 LYS 22 -1.866 -12.722 -0.381 187 HZ2 LYS 22 HZ2 LYS 22 -2.150 -12.701 -2.049 188 HZ3 LYS 22 HZ3 LYS 22 -2.989 -13.784 -1.061 189 H ARG 23 H ARG 23 -8.480 -10.009 -4.221 190 HA ARG 23 HA ARG 23 -7.078 -7.594 -4.099 191 HB2 ARG 23 HB2 ARG 23 -7.423 -8.888 -6.158 192 HB3 ARG 23 HB3 ARG 23 -9.147 -8.542 -6.126 193 HG2 ARG 23 HG2 ARG 23 -8.726 -6.178 -6.575 194 HG3 ARG 23 HG3 ARG 23 -6.983 -6.437 -6.466 195 HD2 ARG 23 HD2 ARG 23 -7.751 -6.276 -8.819 196 HD3 ARG 23 HD3 ARG 23 -7.033 -7.846 -8.470 197 HE ARG 23 HE ARG 23 -9.093 -8.859 -8.768 198 HH11 ARG 23 HH11 ARG 23 -9.568 -5.425 -8.848 199 HH12 ARG 23 HH12 ARG 23 -11.148 -5.560 -9.526 200 HH21 ARG 23 HH21 ARG 23 -11.106 -8.990 -9.640 201 HH22 ARG 23 HH22 ARG 23 -12.004 -7.552 -9.974 202 H ALA 24 H ALA 24 -10.595 -8.134 -4.011 203 HA ALA 24 HA ALA 24 -11.449 -5.436 -3.801 204 HB1 ALA 24 HB1 ALA 24 -13.602 -6.357 -3.046 205 HB2 ALA 24 HB2 ALA 24 -12.851 -7.938 -2.797 206 HB3 ALA 24 HB3 ALA 24 -12.978 -7.267 -4.424 207 H ARG 25 H ARG 25 -10.634 -7.867 -1.325 208 HA ARG 25 HA ARG 25 -11.214 -6.433 1.029 209 HB2 ARG 25 HB2 ARG 25 -10.707 -8.830 1.093 210 HB3 ARG 25 HB3 ARG 25 -9.090 -8.546 0.464 211 HG2 ARG 25 HG2 ARG 25 -8.640 -7.219 2.631 212 HG3 ARG 25 HG3 ARG 25 -10.149 -7.912 3.236 213 HD2 ARG 25 HD2 ARG 25 -7.708 -9.475 2.302 214 HD3 ARG 25 HD3 ARG 25 -8.188 -9.214 3.979 215 HE ARG 25 HE ARG 25 -10.284 -10.463 3.356 216 HH11 ARG 25 HH11 ARG 25 -7.312 -11.160 1.699 217 HH12 ARG 25 HH12 ARG 25 -7.763 -12.800 1.401 218 HH21 ARG 25 HH21 ARG 25 -10.813 -12.536 2.940 219 HH22 ARG 25 HH22 ARG 25 -9.717 -13.564 2.085 220 H LEU 26 H LEU 26 -8.294 -6.443 -1.009 221 HA LEU 26 HA LEU 26 -6.645 -4.974 0.814 222 HB2 LEU 26 HB2 LEU 26 -6.285 -5.457 -2.163 223 HB3 LEU 26 HB3 LEU 26 -5.059 -4.824 -1.078 224 HG LEU 26 HG LEU 26 -6.226 -7.643 -1.028 225 HD11 LEU 26 HD11 LEU 26 -4.612 -7.266 -2.805 226 HD12 LEU 26 HD12 LEU 26 -3.979 -8.357 -1.578 227 HD13 LEU 26 HD13 LEU 26 -3.427 -6.680 -1.633 228 HD21 LEU 26 HD21 LEU 26 -4.654 -8.091 0.822 229 HD22 LEU 26 HD22 LEU 26 -5.879 -6.908 1.269 230 HD23 LEU 26 HD23 LEU 26 -4.239 -6.372 0.886 231 H ILE 27 H ILE 27 -8.352 -4.034 -2.193 232 HA ILE 27 HA ILE 27 -7.857 -1.256 -2.067 233 HB ILE 27 HB ILE 27 -10.318 -2.638 -3.236 234 HG12 ILE 27 HG12 ILE 27 -7.703 -1.913 -4.637 235 HG13 ILE 27 HG13 ILE 27 -8.146 -3.537 -4.136 236 HG21 ILE 27 HG21 ILE 27 -10.656 -0.203 -3.016 237 HG22 ILE 27 HG22 ILE 27 -10.505 -0.646 -4.716 238 HG23 ILE 27 HG23 ILE 27 -9.143 0.099 -3.873 239 HD11 ILE 27 HD11 ILE 27 -10.004 -3.520 -5.730 240 HD12 ILE 27 HD12 ILE 27 -8.456 -3.211 -6.519 241 HD13 ILE 27 HD13 ILE 27 -9.568 -1.879 -6.217 242 H TYR 28 H TYR 28 -10.204 -3.264 -0.352 243 HA TYR 28 HA TYR 28 -11.766 -1.154 0.815 244 HB2 TYR 28 HB2 TYR 28 -12.722 -3.357 0.594 245 HB3 TYR 28 HB3 TYR 28 -11.405 -4.098 1.486 246 HD1 TYR 28 HD2 TYR 28 -14.237 -1.647 1.937 247 HD2 TYR 28 HD1 TYR 28 -11.688 -4.556 3.782 248 HE1 TYR 28 HE2 TYR 28 -15.579 -1.534 4.004 249 HE2 TYR 28 HE1 TYR 28 -13.021 -4.432 5.837 250 HH TYR 28 HH TYR 28 -14.521 -2.817 6.960 251 H GLN 29 H GLN 29 -8.900 -2.972 1.934 252 HA GLN 29 HA GLN 29 -8.858 -1.811 4.589 253 HB2 GLN 29 HB2 GLN 29 -6.803 -3.465 3.072 254 HB3 GLN 29 HB3 GLN 29 -6.597 -2.952 4.744 255 HG2 GLN 29 HG2 GLN 29 -8.554 -4.259 5.415 256 HG3 GLN 29 HG3 GLN 29 -8.853 -4.720 3.744 257 HE21 GLN 29 HE21 GLN 29 -6.063 -5.255 3.084 258 HE22 GLN 29 HE22 GLN 29 -5.632 -6.703 3.914 259 H SER 30 H SER 30 -7.719 -0.798 1.506 260 HA SER 30 HA SER 30 -5.902 1.249 2.537 261 HB2 SER 30 HB2 SER 30 -5.692 1.930 0.166 262 HB3 SER 30 HB3 SER 30 -5.433 0.197 0.353 263 HG SER 30 HG SER 30 -6.889 0.043 -1.128 264 H ARG 31 H ARG 31 -9.292 0.929 1.823 265 HA ARG 31 HA ARG 31 -9.891 3.781 1.924 266 HB2 ARG 31 HB2 ARG 31 -11.670 1.312 2.081 267 HB3 ARG 31 HB3 ARG 31 -12.280 2.960 1.999 268 HG2 ARG 31 HG2 ARG 31 -10.428 2.079 -0.193 269 HG3 ARG 31 HG3 ARG 31 -12.038 1.366 -0.163 270 HD2 ARG 31 HD2 ARG 31 -11.957 3.338 -1.622 271 HD3 ARG 31 HD3 ARG 31 -13.058 3.581 -0.266 272 HE ARG 31 HE ARG 31 -10.521 4.648 0.395 273 HH11 ARG 31 HH11 ARG 31 -13.171 5.353 -1.728 274 HH12 ARG 31 HH12 ARG 31 -12.871 7.052 -1.676 275 HH21 ARG 31 HH21 ARG 31 -10.186 6.800 0.426 276 HH22 ARG 31 HH22 ARG 31 -11.208 7.852 -0.491 277 H LYS 32 H LYS 32 -9.560 1.128 4.229 278 HA LYS 32 HA LYS 32 -10.551 2.802 6.459 279 HB2 LYS 32 HB2 LYS 32 -9.796 -0.122 6.197 280 HB3 LYS 32 HB3 LYS 32 -9.679 0.628 7.777 281 HG2 LYS 32 HG2 LYS 32 -11.766 -0.431 7.769 282 HG3 LYS 32 HG3 LYS 32 -12.136 1.274 7.542 283 HD2 LYS 32 HD2 LYS 32 -11.881 -0.480 5.096 284 HD3 LYS 32 HD3 LYS 32 -13.315 -0.658 6.098 285 HE2 LYS 32 HE2 LYS 32 -12.400 1.898 4.744 286 HE3 LYS 32 HE3 LYS 32 -13.745 0.881 4.242 287 HZ1 LYS 32 HZ1 LYS 32 -14.855 1.400 6.320 288 HZ2 LYS 32 HZ2 LYS 32 -14.479 2.818 5.477 289 HZ3 LYS 32 HZ3 LYS 32 -13.552 2.355 6.812 290 H ARG 33 H ARG 33 -9.132 4.210 7.294 291 HA ARG 33 HA ARG 33 -6.262 3.626 7.565 292 HB2 ARG 33 HB2 ARG 33 -7.334 5.976 5.932 293 HB3 ARG 33 HB3 ARG 33 -5.663 5.817 6.448 294 HG2 ARG 33 HG2 ARG 33 -7.032 3.846 4.591 295 HG3 ARG 33 HG3 ARG 33 -6.153 5.257 4.033 296 HD2 ARG 33 HD2 ARG 33 -4.515 3.633 3.819 297 HD3 ARG 33 HD3 ARG 33 -4.165 4.216 5.446 298 HE ARG 33 HE ARG 33 -5.912 1.881 5.110 299 HH11 ARG 33 HH11 ARG 33 -2.916 3.120 6.323 300 HH12 ARG 33 HH12 ARG 33 -2.459 1.598 7.000 301 HH21 ARG 33 HH21 ARG 33 -5.329 -0.000 6.022 302 HH22 ARG 33 HH22 ARG 33 -3.818 -0.136 6.852 303 H GLY 34 H GLY 34 -5.197 5.044 9.012 304 HA2 GLY 34 HA2 GLY 34 -6.723 6.417 11.023 305 HA3 GLY 34 HA3 GLY 34 -4.975 6.325 10.910 306 H ILE 35 H ILE 35 -4.710 7.517 8.253 307 HA ILE 35 HA ILE 35 -5.822 10.253 8.616 308 HB ILE 35 HB ILE 35 -3.769 11.278 7.707 309 HG12 ILE 35 HG12 ILE 35 -2.430 8.544 7.955 310 HG13 ILE 35 HG13 ILE 35 -2.953 9.245 6.431 311 HG21 ILE 35 HG21 ILE 35 -2.324 11.047 9.685 312 HG22 ILE 35 HG22 ILE 35 -3.221 9.611 10.177 313 HG23 ILE 35 HG23 ILE 35 -4.027 11.180 10.132 314 HD11 ILE 35 HD11 ILE 35 -1.365 11.088 6.746 315 HD12 ILE 35 HD12 ILE 35 -0.574 9.511 6.742 316 HD13 ILE 35 HD13 ILE 35 -0.836 10.359 8.265 317 H LEU 36 H LEU 36 -6.054 11.521 6.702 318 HA LEU 36 HA LEU 36 -7.170 10.045 4.519 319 HB2 LEU 36 HB2 LEU 36 -8.137 12.163 5.427 320 HB3 LEU 36 HB3 LEU 36 -6.771 13.044 4.770 321 HG LEU 36 HG LEU 36 -7.471 12.457 2.465 322 HD11 LEU 36 HD11 LEU 36 -9.640 11.364 2.036 323 HD12 LEU 36 HD12 LEU 36 -9.821 11.038 3.762 324 HD13 LEU 36 HD13 LEU 36 -8.507 10.287 2.850 325 HD21 LEU 36 HD21 LEU 36 -9.723 13.685 4.095 326 HD22 LEU 36 HD22 LEU 36 -9.516 13.825 2.347 327 HD23 LEU 36 HD23 LEU 36 -8.326 14.539 3.431 328 H GLU 37 H GLU 37 -4.084 11.716 4.960 329 HA GLU 37 HA GLU 37 -3.398 11.886 2.191 330 HB2 GLU 37 HB2 GLU 37 -1.960 12.378 4.748 331 HB3 GLU 37 HB3 GLU 37 -0.914 11.821 3.454 332 HG2 GLU 37 HG2 GLU 37 -2.749 14.237 3.272 333 HG3 GLU 37 HG3 GLU 37 -1.020 14.293 3.624 334 H THR 38 H THR 38 -2.772 9.368 4.626 335 HA THR 38 HA THR 38 -1.393 7.610 2.814 336 HB THR 38 HB THR 38 -2.748 6.929 5.458 337 HG1 THR 38 HG1 THR 38 -0.021 7.023 5.437 338 HG21 THR 38 HG21 THR 38 -2.302 4.895 4.099 339 HG22 THR 38 HG22 THR 38 -1.238 4.970 5.504 340 HG23 THR 38 HG23 THR 38 -0.619 5.398 3.908 341 H ASP 39 H ASP 39 -4.793 8.139 3.631 342 HA ASP 39 HA ASP 39 -5.911 5.914 2.267 343 HB2 ASP 39 HB2 ASP 39 -7.280 7.179 3.796 344 HB3 ASP 39 HB3 ASP 39 -7.029 8.668 2.893 345 H LEU 40 H LEU 40 -5.248 9.246 1.092 346 HA LEU 40 HA LEU 40 -6.085 8.826 -1.596 347 HB2 LEU 40 HB2 LEU 40 -4.183 10.897 -0.445 348 HB3 LEU 40 HB3 LEU 40 -4.858 10.963 -2.068 349 HG LEU 40 HG LEU 40 -6.433 11.170 0.537 350 HD11 LEU 40 HD11 LEU 40 -5.152 13.194 0.086 351 HD12 LEU 40 HD12 LEU 40 -6.878 13.485 -0.112 352 HD13 LEU 40 HD13 LEU 40 -5.847 13.304 -1.535 353 HD21 LEU 40 HD21 LEU 40 -7.467 11.316 -2.315 354 HD22 LEU 40 HD22 LEU 40 -8.409 11.646 -0.856 355 HD23 LEU 40 HD23 LEU 40 -7.781 10.027 -1.150 356 H LEU 41 H LEU 41 -3.087 8.275 0.092 357 HA LEU 41 HA LEU 41 -1.409 7.752 -2.167 358 HB2 LEU 41 HB2 LEU 41 -0.558 8.427 0.063 359 HB3 LEU 41 HB3 LEU 41 -1.139 6.918 0.746 360 HG LEU 41 HG LEU 41 0.523 5.647 -0.584 361 HD11 LEU 41 HD11 LEU 41 2.278 6.795 -1.867 362 HD12 LEU 41 HD12 LEU 41 1.464 8.342 -1.618 363 HD13 LEU 41 HD13 LEU 41 0.681 7.071 -2.561 364 HD21 LEU 41 HD21 LEU 41 1.797 7.929 0.971 365 HD22 LEU 41 HD22 LEU 41 2.541 6.367 0.607 366 HD23 LEU 41 HD23 LEU 41 1.139 6.445 1.672 367 H LEU 42 H LEU 42 -2.975 5.533 0.190 368 HA LEU 42 HA LEU 42 -2.140 3.184 -1.240 369 HB2 LEU 42 HB2 LEU 42 -3.862 3.526 1.234 370 HB3 LEU 42 HB3 LEU 42 -3.504 1.953 0.530 371 HG LEU 42 HG LEU 42 -1.482 3.903 1.709 372 HD11 LEU 42 HD11 LEU 42 -1.065 2.134 3.357 373 HD12 LEU 42 HD12 LEU 42 -2.334 1.140 2.634 374 HD13 LEU 42 HD13 LEU 42 -2.741 2.677 3.401 375 HD21 LEU 42 HD21 LEU 42 -0.978 1.245 0.318 376 HD22 LEU 42 HD22 LEU 42 0.224 2.174 1.220 377 HD23 LEU 42 HD23 LEU 42 -0.483 2.847 -0.243 378 H SER 43 H SER 43 -5.355 4.725 -0.752 379 HA SER 43 HA SER 43 -6.800 2.685 -2.162 380 HB2 SER 43 HB2 SER 43 -7.984 4.092 -0.538 381 HB3 SER 43 HB3 SER 43 -7.670 5.530 -1.507 382 HG SER 43 HG SER 43 -9.696 4.892 -2.036 383 H GLY 44 H GLY 44 -5.319 5.746 -3.183 384 HA2 GLY 44 HA2 GLY 44 -6.149 5.717 -5.913 385 HA3 GLY 44 HA3 GLY 44 -4.713 6.514 -5.275 386 H PHE 45 H PHE 45 -3.227 4.492 -4.296 387 HA PHE 45 HA PHE 45 -1.924 3.193 -6.428 388 HB2 PHE 45 HB2 PHE 45 -1.008 3.698 -4.117 389 HB3 PHE 45 HB3 PHE 45 -1.962 2.369 -3.485 390 HD1 PHE 45 HD2 PHE 45 -1.372 -0.010 -4.185 391 HD2 PHE 45 HD1 PHE 45 1.125 3.328 -5.135 392 HE1 PHE 45 HE2 PHE 45 0.519 -1.526 -4.581 393 HE2 PHE 45 HE1 PHE 45 3.001 1.799 -5.522 394 HZ PHE 45 HZ PHE 45 2.709 -0.622 -5.253 395 H ALA 46 H ALA 46 -4.611 2.208 -4.410 396 HA ALA 46 HA ALA 46 -4.571 -0.579 -5.046 397 HB1 ALA 46 HB1 ALA 46 -6.666 -0.679 -3.790 398 HB2 ALA 46 HB2 ALA 46 -6.760 1.084 -3.779 399 HB3 ALA 46 HB3 ALA 46 -5.453 0.262 -2.921 400 H ALA 47 H ALA 47 -6.440 2.206 -6.212 401 HA ALA 47 HA ALA 47 -8.139 0.731 -7.985 402 HB1 ALA 47 HB1 ALA 47 -8.745 2.948 -7.124 403 HB2 ALA 47 HB2 ALA 47 -8.746 2.944 -8.889 404 HB3 ALA 47 HB3 ALA 47 -7.402 3.679 -8.007 405 H LYS 48 H LYS 48 -4.952 2.169 -8.322 406 HA LYS 48 HA LYS 48 -4.908 1.984 -11.237 407 HB2 LYS 48 HB2 LYS 48 -3.959 3.950 -10.039 408 HB3 LYS 48 HB3 LYS 48 -2.772 2.903 -9.267 409 HG2 LYS 48 HG2 LYS 48 -1.816 2.381 -11.513 410 HG3 LYS 48 HG3 LYS 48 -2.979 3.491 -12.245 411 HD2 LYS 48 HD2 LYS 48 -0.842 4.260 -10.213 412 HD3 LYS 48 HD3 LYS 48 -0.724 4.515 -11.950 413 HE2 LYS 48 HE2 LYS 48 -2.721 6.024 -11.818 414 HE3 LYS 48 HE3 LYS 48 -2.742 5.797 -10.068 415 HZ1 LYS 48 HZ1 LYS 48 -0.448 6.709 -10.042 416 HZ2 LYS 48 HZ2 LYS 48 -1.622 7.818 -10.549 417 HZ3 LYS 48 HZ3 LYS 48 -0.613 7.080 -11.682 418 H TYR 49 H TYR 49 -2.920 0.625 -8.553 419 HA TYR 49 HA TYR 49 -1.299 -0.915 -10.394 420 HB2 TYR 49 HB2 TYR 49 -1.207 -0.568 -7.378 421 HB3 TYR 49 HB3 TYR 49 -0.127 -1.664 -8.229 422 HD1 TYR 49 HD1 TYR 49 -1.199 1.962 -8.297 423 HD2 TYR 49 HD2 TYR 49 1.969 -0.842 -8.935 424 HE1 TYR 49 HE1 TYR 49 0.371 3.814 -8.684 425 HE2 TYR 49 HE2 TYR 49 3.525 1.017 -9.334 426 HH TYR 49 HH TYR 49 3.546 3.322 -9.942 427 H LEU 50 H LEU 50 -3.730 -1.774 -7.864 428 HA LEU 50 HA LEU 50 -3.337 -4.582 -7.966 429 HB2 LEU 50 HB2 LEU 50 -5.614 -2.910 -6.962 430 HB3 LEU 50 HB3 LEU 50 -5.880 -4.632 -7.168 431 HG LEU 50 HG LEU 50 -3.769 -4.958 -5.696 432 HD11 LEU 50 HD11 LEU 50 -3.191 -3.225 -4.150 433 HD12 LEU 50 HD12 LEU 50 -4.402 -2.145 -4.835 434 HD13 LEU 50 HD13 LEU 50 -2.991 -2.610 -5.793 435 HD21 LEU 50 HD21 LEU 50 -6.261 -3.824 -4.408 436 HD22 LEU 50 HD22 LEU 50 -5.057 -4.857 -3.637 437 HD23 LEU 50 HD23 LEU 50 -6.050 -5.492 -4.945 438 H LYS 51 H LYS 51 -4.924 -2.543 -10.190 439 HA LYS 51 HA LYS 51 -6.635 -4.323 -11.535 440 HB2 LYS 51 HB2 LYS 51 -6.545 -1.820 -11.724 441 HB3 LYS 51 HB3 LYS 51 -5.082 -1.974 -12.685 442 HG2 LYS 51 HG2 LYS 51 -6.254 -2.961 -14.511 443 HG3 LYS 51 HG3 LYS 51 -7.695 -3.255 -13.534 444 HD2 LYS 51 HD2 LYS 51 -6.625 -0.516 -14.353 445 HD3 LYS 51 HD3 LYS 51 -8.024 -1.328 -15.064 446 HE2 LYS 51 HE2 LYS 51 -9.190 -1.232 -12.877 447 HE3 LYS 51 HE3 LYS 51 -7.791 -0.442 -12.153 448 HZ1 LYS 51 HZ1 LYS 51 -9.487 1.142 -12.699 449 HZ2 LYS 51 HZ2 LYS 51 -9.502 0.648 -14.314 450 HZ3 LYS 51 HZ3 LYS 51 -8.135 1.415 -13.680 451 H LYS 52 H LYS 52 -3.137 -3.982 -11.691 452 HA LYS 52 HA LYS 52 -2.915 -6.054 -13.820 453 HB2 LYS 52 HB2 LYS 52 -0.819 -4.032 -12.886 454 HB3 LYS 52 HB3 LYS 52 -0.654 -5.162 -14.232 455 HG2 LYS 52 HG2 LYS 52 -2.448 -3.971 -15.454 456 HG3 LYS 52 HG3 LYS 52 -2.626 -2.850 -14.100 457 HD2 LYS 52 HD2 LYS 52 -0.131 -3.195 -15.815 458 HD3 LYS 52 HD3 LYS 52 -1.279 -1.859 -15.925 459 HE2 LYS 52 HE2 LYS 52 -0.662 -1.109 -13.669 460 HE3 LYS 52 HE3 LYS 52 0.404 -2.502 -13.471 461 HZ1 LYS 52 HZ1 LYS 52 0.739 -0.338 -15.471 462 HZ2 LYS 52 HZ2 LYS 52 1.767 -1.665 -15.275 463 HZ3 LYS 52 HZ3 LYS 52 1.628 -0.517 -14.043 464 H MET 53 H MET 53 -2.568 -5.617 -10.465 465 HA MET 53 HA MET 53 -0.027 -6.759 -9.954 466 HB2 MET 53 HB2 MET 53 -1.138 -5.034 -8.575 467 HB3 MET 53 HB3 MET 53 -2.378 -6.191 -8.118 468 HG2 MET 53 HG2 MET 53 -0.700 -7.538 -6.986 469 HG3 MET 53 HG3 MET 53 0.543 -6.387 -7.461 470 HE1 MET 53 HE1 MET 53 0.826 -3.958 -6.375 471 HE2 MET 53 HE2 MET 53 -0.384 -3.234 -5.316 472 HE3 MET 53 HE3 MET 53 -0.771 -3.543 -7.008 473 H ASN 54 H ASN 54 0.574 -8.811 -9.597 474 HA ASN 54 HA ASN 54 -1.292 -11.045 -9.714 475 HB2 ASN 54 HB2 ASN 54 1.744 -10.987 -9.420 476 HB3 ASN 54 HB3 ASN 54 0.793 -12.456 -9.623 477 HD21 ASN 54 HD21 ASN 54 2.908 -11.490 -11.311 478 HD22 ASN 54 HD22 ASN 54 2.220 -11.268 -12.877 479 H GLU 55 H GLU 55 -0.943 -12.931 -8.147 480 HA GLU 55 HA GLU 55 -1.918 -12.315 -5.615 481 HB2 GLU 55 HB2 GLU 55 -0.419 -14.833 -6.464 482 HB3 GLU 55 HB3 GLU 55 -1.372 -14.685 -4.998 483 HG2 GLU 55 HG2 GLU 55 -2.716 -15.884 -6.495 484 HG3 GLU 55 HG3 GLU 55 -3.386 -14.260 -6.469 485 H GLU 56 H GLU 56 1.411 -13.113 -6.520 486 HA GLU 56 HA GLU 56 2.661 -13.124 -4.002 487 HB2 GLU 56 HB2 GLU 56 4.779 -12.762 -5.321 488 HB3 GLU 56 HB3 GLU 56 3.762 -14.065 -5.928 489 HG2 GLU 56 HG2 GLU 56 2.908 -12.579 -7.716 490 HG3 GLU 56 HG3 GLU 56 3.926 -11.269 -7.115 491 H GLU 57 H GLU 57 2.152 -10.422 -6.241 492 HA GLU 57 HA GLU 57 3.464 -8.438 -4.613 493 HB2 GLU 57 HB2 GLU 57 1.577 -8.070 -6.969 494 HB3 GLU 57 HB3 GLU 57 2.655 -6.843 -6.314 495 HG2 GLU 57 HG2 GLU 57 3.561 -9.437 -7.615 496 HG3 GLU 57 HG3 GLU 57 3.430 -7.895 -8.456 497 H LEU 58 H LEU 58 0.164 -9.604 -4.983 498 HA LEU 58 HA LEU 58 -1.283 -7.533 -3.690 499 HB2 LEU 58 HB2 LEU 58 -1.897 -10.475 -4.159 500 HB3 LEU 58 HB3 LEU 58 -3.035 -9.416 -3.344 501 HG LEU 58 HG LEU 58 -2.039 -8.956 -6.189 502 HD11 LEU 58 HD11 LEU 58 -3.373 -11.012 -6.092 503 HD12 LEU 58 HD12 LEU 58 -4.227 -9.734 -6.955 504 HD13 LEU 58 HD13 LEU 58 -4.685 -10.138 -5.295 505 HD21 LEU 58 HD21 LEU 58 -2.758 -6.900 -5.050 506 HD22 LEU 58 HD22 LEU 58 -4.312 -7.644 -4.666 507 HD23 LEU 58 HD23 LEU 58 -3.866 -7.337 -6.347 508 H GLU 59 H GLU 59 0.085 -10.611 -2.430 509 HA GLU 59 HA GLU 59 -0.846 -10.276 0.252 510 HB2 GLU 59 HB2 GLU 59 0.729 -12.116 0.815 511 HB3 GLU 59 HB3 GLU 59 -0.285 -12.488 -0.571 512 HG2 GLU 59 HG2 GLU 59 1.672 -11.833 -2.049 513 HG3 GLU 59 HG3 GLU 59 2.656 -11.743 -0.586 514 H GLU 60 H GLU 60 2.054 -9.216 -1.431 515 HA GLU 60 HA GLU 60 3.476 -8.168 0.793 516 HB2 GLU 60 HB2 GLU 60 4.376 -8.550 -1.560 517 HB3 GLU 60 HB3 GLU 60 3.499 -7.113 -2.063 518 HG2 GLU 60 HG2 GLU 60 5.788 -6.503 -1.711 519 HG3 GLU 60 HG3 GLU 60 4.830 -5.779 -0.422 520 H TYR 61 H TYR 61 1.085 -6.746 -1.448 521 HA TYR 61 HA TYR 61 1.008 -4.144 -0.396 522 HB2 TYR 61 HB2 TYR 61 0.078 -4.716 -2.607 523 HB3 TYR 61 HB3 TYR 61 -1.205 -5.655 -1.843 524 HD1 TYR 61 HD2 TYR 61 0.256 -2.177 -1.692 525 HD2 TYR 61 HD1 TYR 61 -3.288 -4.562 -1.588 526 HE1 TYR 61 HE2 TYR 61 -1.113 -0.146 -1.524 527 HE2 TYR 61 HE1 TYR 61 -4.652 -2.530 -1.411 528 HH TYR 61 HH TYR 61 -3.437 0.550 -2.015 529 H ASP 62 H ASP 62 -0.799 -7.061 0.503 530 HA ASP 62 HA ASP 62 -2.569 -6.009 2.396 531 HB2 ASP 62 HB2 ASP 62 -2.639 -8.371 1.616 532 HB3 ASP 62 HB3 ASP 62 -1.134 -8.707 2.470 533 H SER 63 H SER 63 0.763 -7.179 2.837 534 HA SER 63 HA SER 63 1.127 -6.753 5.559 535 HB2 SER 63 HB2 SER 63 3.203 -6.391 3.355 536 HB3 SER 63 HB3 SER 63 3.550 -6.668 5.062 537 HG SER 63 HG SER 63 3.097 -8.462 3.150 538 H LEU 64 H LEU 64 1.447 -4.425 2.894 539 HA LEU 64 HA LEU 64 2.460 -2.220 4.363 540 HB2 LEU 64 HB2 LEU 64 2.575 -2.534 1.875 541 HB3 LEU 64 HB3 LEU 64 0.854 -2.212 1.785 542 HG LEU 64 HG LEU 64 1.257 0.098 2.631 543 HD11 LEU 64 HD11 LEU 64 4.203 -0.615 2.458 544 HD12 LEU 64 HD12 LEU 64 3.292 -0.248 3.929 545 HD13 LEU 64 HD13 LEU 64 3.550 1.006 2.719 546 HD21 LEU 64 HD21 LEU 64 2.862 -0.606 0.149 547 HD22 LEU 64 HD22 LEU 64 2.247 0.996 0.566 548 HD23 LEU 64 HD23 LEU 64 1.121 -0.310 0.211 549 H LEU 65 H LEU 65 -0.809 -3.311 3.648 550 HA LEU 65 HA LEU 65 -2.246 -1.072 4.702 551 HB2 LEU 65 HB2 LEU 65 -3.149 -3.961 4.377 552 HB3 LEU 65 HB3 LEU 65 -4.207 -2.567 4.588 553 HG LEU 65 HG LEU 65 -2.345 -2.909 2.201 554 HD11 LEU 65 HD11 LEU 65 -4.272 -3.586 0.891 555 HD12 LEU 65 HD12 LEU 65 -5.299 -3.538 2.323 556 HD13 LEU 65 HD13 LEU 65 -3.990 -4.717 2.212 557 HD21 LEU 65 HD21 LEU 65 -4.664 -1.006 2.642 558 HD22 LEU 65 HD22 LEU 65 -3.712 -1.157 1.164 559 HD23 LEU 65 HD23 LEU 65 -2.949 -0.581 2.642 560 H ASN 66 H ASN 66 -0.851 -3.954 6.171 561 HA ASN 66 HA ASN 66 -2.120 -3.541 8.766 562 HB2 ASN 66 HB2 ASN 66 0.030 -5.508 7.864 563 HB3 ASN 66 HB3 ASN 66 -0.633 -5.458 9.495 564 HD21 ASN 66 HD21 ASN 66 -1.129 -6.547 6.278 565 HD22 ASN 66 HD22 ASN 66 -2.643 -7.329 6.532 566 H GLU 67 H GLU 67 0.445 -2.029 7.202 567 HA GLU 67 HA GLU 67 2.050 -1.457 9.572 568 HB2 GLU 67 HB2 GLU 67 2.154 -0.089 6.847 569 HB3 GLU 67 HB3 GLU 67 3.363 0.022 8.121 570 HG2 GLU 67 HG2 GLU 67 2.681 -2.425 6.468 571 HG3 GLU 67 HG3 GLU 67 4.120 -1.427 6.311 572 H LEU 68 H LEU 68 2.441 0.862 10.182 573 HA LEU 68 HA LEU 68 -0.095 2.138 10.771 574 HB2 LEU 68 HB2 LEU 68 2.744 2.703 11.668 575 HB3 LEU 68 HB3 LEU 68 1.432 3.798 12.052 576 HG LEU 68 HG LEU 68 1.959 2.307 13.938 577 HD11 LEU 68 HD11 LEU 68 -0.305 1.544 14.467 578 HD12 LEU 68 HD12 LEU 68 -0.787 1.742 12.780 579 HD13 LEU 68 HD13 LEU 68 -0.326 3.150 13.742 580 HD21 LEU 68 HD21 LEU 68 1.113 0.027 12.140 581 HD22 LEU 68 HD22 LEU 68 1.515 -0.095 13.861 582 HD23 LEU 68 HD23 LEU 68 2.755 0.365 12.695 583 H ASP 69 H ASP 69 -0.864 3.951 9.990 584 HA ASP 69 HA ASP 69 -0.552 4.658 7.378 585 HB2 ASP 69 HB2 ASP 69 -1.613 6.420 9.617 586 HB3 ASP 69 HB3 ASP 69 -1.884 6.715 7.896 587 H TRP 70 H TRP 70 0.646 6.831 10.015 588 HA TRP 70 HA TRP 70 1.901 8.670 8.288 589 HB2 TRP 70 HB2 TRP 70 2.239 8.084 11.234 590 HB3 TRP 70 HB3 TRP 70 3.338 9.203 10.440 591 HD1 TRP 70 HD1 TRP 70 0.089 9.211 12.207 592 HE1 TRP 70 HE1 TRP 70 -1.130 11.446 11.835 593 HE3 TRP 70 HE3 TRP 70 2.884 11.057 8.313 594 HZ2 TRP 70 HZ2 TRP 70 -0.967 13.674 10.114 595 HZ3 TRP 70 HZ3 TRP 70 2.272 13.243 7.353 596 HH2 TRP 70 HH2 TRP 70 0.384 14.525 8.235 597 H ASP 71 H ASP 71 3.101 5.617 9.659 598 HA ASP 71 HA ASP 71 5.865 5.990 9.032 599 HB2 ASP 71 HB2 ASP 71 4.274 3.418 9.453 600 HB3 ASP 71 HB3 ASP 71 6.037 3.533 9.411 601 H ILE 72 H ILE 72 3.244 4.202 7.369 602 HA ILE 72 HA ILE 72 4.421 3.377 4.995 603 HB ILE 72 HB ILE 72 1.635 4.602 5.331 604 HG12 ILE 72 HG12 ILE 72 2.347 1.640 5.413 605 HG13 ILE 72 HG13 ILE 72 2.152 2.631 6.852 606 HG21 ILE 72 HG21 ILE 72 2.622 2.769 3.112 607 HG22 ILE 72 HG22 ILE 72 2.206 4.477 2.946 608 HG23 ILE 72 HG23 ILE 72 0.951 3.299 3.334 609 HD11 ILE 72 HD11 ILE 72 0.165 1.320 6.407 610 HD12 ILE 72 HD12 ILE 72 0.006 2.046 4.809 611 HD13 ILE 72 HD13 ILE 72 -0.192 3.041 6.256 612 H TYR 73 H TYR 73 2.998 6.504 5.789 613 HA TYR 73 HA TYR 73 3.341 7.807 3.300 614 HB2 TYR 73 HB2 TYR 73 1.643 8.418 5.008 615 HB3 TYR 73 HB3 TYR 73 2.917 8.965 6.090 616 HD1 TYR 73 HD2 TYR 73 1.393 9.633 2.723 617 HD2 TYR 73 HD1 TYR 73 3.661 11.236 5.981 618 HE1 TYR 73 HE2 TYR 73 1.233 11.883 1.741 619 HE2 TYR 73 HE1 TYR 73 3.498 13.477 4.992 620 HH TYR 73 HH TYR 73 1.344 14.240 2.508 621 H TYR 74 H TYR 74 5.348 7.711 6.256 622 HA TYR 74 HA TYR 74 7.218 9.731 5.443 623 HB2 TYR 74 HB2 TYR 74 7.379 7.597 7.605 624 HB3 TYR 74 HB3 TYR 74 8.660 8.772 7.331 625 HD1 TYR 74 HD1 TYR 74 6.948 11.235 6.775 626 HD2 TYR 74 HD2 TYR 74 6.657 8.230 9.803 627 HE1 TYR 74 HE1 TYR 74 5.851 12.843 8.270 628 HE2 TYR 74 HE2 TYR 74 5.555 9.843 11.297 629 HH TYR 74 HH TYR 74 5.382 12.257 11.602 630 H TRP 75 H TRP 75 7.289 6.153 5.343 631 HA TRP 75 HA TRP 75 9.845 5.853 4.155 632 HB2 TRP 75 HB2 TRP 75 7.426 4.024 3.851 633 HB3 TRP 75 HB3 TRP 75 9.097 3.584 3.512 634 HD1 TRP 75 HD1 TRP 75 10.248 4.920 6.325 635 HE1 TRP 75 HE1 TRP 75 9.887 3.598 8.487 636 HE3 TRP 75 HE3 TRP 75 6.386 1.901 4.821 637 HZ2 TRP 75 HZ2 TRP 75 8.216 1.562 9.455 638 HZ3 TRP 75 HZ3 TRP 75 5.461 0.286 6.442 639 HH2 TRP 75 HH2 TRP 75 6.358 0.122 8.716 640 H ALA 76 H ALA 76 6.637 6.431 2.812 641 HA ALA 76 HA ALA 76 7.299 6.250 0.046 642 HB1 ALA 76 HB1 ALA 76 5.103 7.272 -0.321 643 HB2 ALA 76 HB2 ALA 76 5.000 7.693 1.389 644 HB3 ALA 76 HB3 ALA 76 5.011 5.999 0.897 645 H THR 77 H THR 77 7.427 8.920 2.374 646 HA THR 77 HA THR 77 8.244 10.865 0.290 647 HB THR 77 HB THR 77 7.947 12.609 2.059 648 HG1 THR 77 HG1 THR 77 6.604 10.831 3.744 649 HG21 THR 77 HG21 THR 77 5.476 12.515 2.225 650 HG22 THR 77 HG22 THR 77 5.506 10.832 1.692 651 HG23 THR 77 HG23 THR 77 6.026 12.114 0.596 652 H LYS 78 H LYS 78 9.854 8.642 1.853 653 HA LYS 78 HA LYS 78 11.917 8.230 2.626 654 HB2 LYS 78 HB2 LYS 78 12.454 9.155 0.353 655 HB3 LYS 78 HB3 LYS 78 12.725 10.733 1.085 656 HG2 LYS 78 HG2 LYS 78 14.599 9.815 2.397 657 HG3 LYS 78 HG3 LYS 78 14.301 8.214 1.713 658 HD2 LYS 78 HD2 LYS 78 14.834 9.096 -0.550 659 HD3 LYS 78 HD3 LYS 78 15.150 10.687 0.150 660 HE2 LYS 78 HE2 LYS 78 17.008 9.718 1.480 661 HE3 LYS 78 HE3 LYS 78 16.694 8.136 0.761 662 HZ1 LYS 78 HZ1 LYS 78 17.212 9.079 -1.401 663 HZ2 LYS 78 HZ2 LYS 78 18.510 9.249 -0.340 664 HZ3 LYS 78 HZ3 LYS 78 17.532 10.579 -0.696 665 H ASN 79 H ASN 79 10.991 8.795 4.786 666 HA ASN 79 HA ASN 79 12.749 10.715 6.184 667 HB2 ASN 79 HB2 ASN 79 10.478 11.793 5.798 668 HB3 ASN 79 HB3 ASN 79 9.758 10.527 6.781 669 HD21 ASN 79 HD21 ASN 79 9.675 13.347 7.267 670 HD22 ASN 79 HD22 ASN 79 10.442 13.633 8.784 671 H PHE 80 H PHE 80 13.943 9.286 7.306 672 HA PHE 80 HA PHE 80 12.660 6.998 8.685 673 HB2 PHE 80 HB2 PHE 80 15.523 7.123 7.650 674 HB3 PHE 80 HB3 PHE 80 14.676 5.705 8.268 675 HD1 PHE 80 HD1 PHE 80 12.450 5.055 6.971 676 HD2 PHE 80 HD2 PHE 80 15.570 7.460 5.303 677 HE1 PHE 80 HE1 PHE 80 11.636 4.558 4.706 678 HE2 PHE 80 HE2 PHE 80 14.751 6.940 3.046 679 HZ PHE 80 HZ PHE 80 12.779 5.496 2.745 680 H LYS 81 H LYS 81 13.854 9.940 9.337 681 HA LYS 81 HA LYS 81 15.413 9.523 11.708 682 HB2 LYS 81 HB2 LYS 81 15.523 11.607 10.393 683 HB3 LYS 81 HB3 LYS 81 13.823 11.928 10.716 684 HG2 LYS 81 HG2 LYS 81 14.321 12.222 13.110 685 HG3 LYS 81 HG3 LYS 81 16.027 11.864 12.808 686 HD2 LYS 81 HD2 LYS 81 16.182 13.863 11.348 687 HD3 LYS 81 HD3 LYS 81 14.474 14.209 11.635 688 HE2 LYS 81 HE2 LYS 81 14.944 14.588 14.024 689 HE3 LYS 81 HE3 LYS 81 16.644 14.185 13.764 690 HZ1 LYS 81 HZ1 LYS 81 16.330 16.558 13.806 691 HZ2 LYS 81 HZ2 LYS 81 15.193 16.476 12.556 692 HZ3 LYS 81 HZ3 LYS 81 16.807 16.073 12.255 693 H THR 82 H THR 82 11.959 10.099 11.040 694 HA THR 82 HA THR 82 11.227 9.767 13.881 695 HB THR 82 HB THR 82 10.198 11.692 12.817 696 HG1 THR 82 HG1 THR 82 8.187 9.680 13.107 697 HG21 THR 82 HG21 THR 82 8.626 11.510 10.922 698 HG22 THR 82 HG22 THR 82 8.965 9.783 10.790 699 HG23 THR 82 HG23 THR 82 10.238 10.959 10.459 700 H SER 83 H SER 83 10.826 8.164 10.746 701 HA SER 83 HA SER 83 9.847 5.731 12.121 702 HB2 SER 83 HB2 SER 83 8.682 6.871 9.542 703 HB3 SER 83 HB3 SER 83 8.316 5.267 10.183 704 HG SER 83 HG SER 83 6.918 6.168 11.427 705 HA PRO 84 HA PRO 84 13.635 4.605 9.662 706 HB2 PRO 84 HB2 PRO 84 14.223 2.355 11.171 707 HB3 PRO 84 HB3 PRO 84 14.743 3.990 11.599 708 HG2 PRO 84 HG2 PRO 84 12.355 2.437 12.601 709 HG3 PRO 84 HG3 PRO 84 13.537 3.386 13.531 710 HD2 PRO 84 HD2 PRO 84 11.121 4.406 12.925 711 HD3 PRO 84 HD3 PRO 84 12.571 5.440 12.906 712 H LEU 85 H LEU 85 14.082 2.851 8.225 713 HA LEU 85 HA LEU 85 11.663 1.565 7.217 714 HB2 LEU 85 HB2 LEU 85 13.256 2.905 5.771 715 HB3 LEU 85 HB3 LEU 85 14.442 1.633 5.987 716 HG LEU 85 HG LEU 85 12.895 0.023 4.870 717 HD11 LEU 85 HD11 LEU 85 10.755 1.085 5.430 718 HD12 LEU 85 HD12 LEU 85 10.898 0.844 3.692 719 HD13 LEU 85 HD13 LEU 85 11.136 2.453 4.378 720 HD21 LEU 85 HD21 LEU 85 13.527 2.500 3.222 721 HD22 LEU 85 HD22 LEU 85 13.162 0.898 2.575 722 HD23 LEU 85 HD23 LEU 85 14.618 1.146 3.535 723 HA PRO 86 HA PRO 86 13.076 -2.532 8.805 724 HB2 PRO 86 HB2 PRO 86 10.621 -3.530 7.438 725 HB3 PRO 86 HB3 PRO 86 11.080 -3.648 9.141 726 HG2 PRO 86 HG2 PRO 86 9.092 -2.011 8.335 727 HG3 PRO 86 HG3 PRO 86 10.178 -1.553 9.666 728 HD2 PRO 86 HD2 PRO 86 10.274 -0.698 6.764 729 HD3 PRO 86 HD3 PRO 86 10.429 0.299 8.228 730 H ASP 87 H ASP 87 13.969 -4.380 7.818 731 HA ASP 87 HA ASP 87 15.100 -4.203 5.255 732 HB2 ASP 87 HB2 ASP 87 14.647 -6.707 6.948 733 HB3 ASP 87 HB3 ASP 87 15.727 -6.615 5.557 734 H LYS 88 H LYS 88 12.068 -5.673 6.279 735 HA LYS 88 HA LYS 88 11.434 -7.173 3.969 736 HB2 LYS 88 HB2 LYS 88 9.130 -7.218 4.816 737 HB3 LYS 88 HB3 LYS 88 10.275 -7.493 6.123 738 HG2 LYS 88 HG2 LYS 88 9.971 -5.191 6.921 739 HG3 LYS 88 HG3 LYS 88 8.901 -4.840 5.560 740 HD2 LYS 88 HD2 LYS 88 7.312 -6.587 6.413 741 HD3 LYS 88 HD3 LYS 88 8.359 -6.824 7.816 742 HE2 LYS 88 HE2 LYS 88 7.951 -4.543 8.561 743 HE3 LYS 88 HE3 LYS 88 7.061 -4.173 7.084 744 HZ1 LYS 88 HZ1 LYS 88 5.411 -5.834 7.745 745 HZ2 LYS 88 HZ2 LYS 88 5.539 -4.569 8.857 746 HZ3 LYS 88 HZ3 LYS 88 6.235 -6.076 9.198 747 H TRP 89 H TRP 89 11.160 -3.729 4.588 748 HA TRP 89 HA TRP 89 9.743 -3.281 2.038 749 HB2 TRP 89 HB2 TRP 89 10.378 -1.346 4.301 750 HB3 TRP 89 HB3 TRP 89 9.541 -0.908 2.814 751 HD1 TRP 89 HD1 TRP 89 8.624 -1.463 6.199 752 HE1 TRP 89 HE1 TRP 89 6.245 -2.390 6.470 753 HE3 TRP 89 HE3 TRP 89 7.806 -3.060 1.403 754 HZ2 TRP 89 HZ2 TRP 89 4.294 -3.662 4.883 755 HZ3 TRP 89 HZ3 TRP 89 5.665 -4.126 0.864 756 HH2 TRP 89 HH2 TRP 89 3.942 -4.418 2.567 757 H ALA 90 H ALA 90 12.893 -2.928 3.498 758 HA ALA 90 HA ALA 90 14.057 -0.978 1.830 759 HB1 ALA 90 HB1 ALA 90 15.426 -3.305 3.213 760 HB2 ALA 90 HB2 ALA 90 15.061 -1.742 3.948 761 HB3 ALA 90 HB3 ALA 90 16.215 -1.843 2.614 762 H ASN 91 H ASN 91 13.574 -4.435 1.312 763 HA ASN 91 HA ASN 91 14.952 -4.339 -1.311 764 HB2 ASN 91 HB2 ASN 91 13.995 -6.754 0.279 765 HB3 ASN 91 HB3 ASN 91 14.946 -6.804 -1.203 766 HD21 ASN 91 HD21 ASN 91 16.743 -4.592 -0.402 767 HD22 ASN 91 HD22 ASN 91 17.747 -5.244 0.836 768 H SER 92 H SER 92 11.917 -3.705 -0.295 769 HA SER 92 HA SER 92 10.354 -5.611 -1.839 770 HB2 SER 92 HB2 SER 92 9.489 -4.845 0.325 771 HB3 SER 92 HB3 SER 92 9.453 -3.178 -0.244 772 HG SER 92 HG SER 92 7.525 -4.913 -0.408 773 H LYS 93 H LYS 93 9.715 -5.394 -3.861 774 HA LYS 93 HA LYS 93 10.073 -3.212 -5.611 775 HB2 LYS 93 HB2 LYS 93 9.719 -5.535 -6.388 776 HB3 LYS 93 HB3 LYS 93 8.086 -5.529 -5.748 777 HG2 LYS 93 HG2 LYS 93 8.024 -5.301 -8.158 778 HG3 LYS 93 HG3 LYS 93 7.443 -3.806 -7.418 779 HD2 LYS 93 HD2 LYS 93 9.603 -2.717 -7.863 780 HD3 LYS 93 HD3 LYS 93 10.260 -4.228 -8.502 781 HE2 LYS 93 HE2 LYS 93 8.608 -4.164 -10.342 782 HE3 LYS 93 HE3 LYS 93 7.950 -2.656 -9.703 783 HZ1 LYS 93 HZ1 LYS 93 10.057 -1.591 -10.119 784 HZ2 LYS 93 HZ2 LYS 93 9.487 -2.310 -11.534 785 HZ3 LYS 93 HZ3 LYS 93 10.731 -3.042 -10.665 786 H LEU 94 H LEU 94 7.350 -4.166 -3.578 787 HA LEU 94 HA LEU 94 5.316 -2.501 -4.495 788 HB2 LEU 94 HB2 LEU 94 5.025 -4.373 -2.882 789 HB3 LEU 94 HB3 LEU 94 5.852 -3.426 -1.653 790 HG LEU 94 HG LEU 94 3.962 -1.669 -1.979 791 HD11 LEU 94 HD11 LEU 94 1.812 -2.518 -2.778 792 HD12 LEU 94 HD12 LEU 94 2.580 -4.020 -3.297 793 HD13 LEU 94 HD13 LEU 94 3.022 -2.485 -4.060 794 HD21 LEU 94 HD21 LEU 94 4.164 -2.979 0.036 795 HD22 LEU 94 HD22 LEU 94 3.332 -4.341 -0.716 796 HD23 LEU 94 HD23 LEU 94 2.468 -2.831 -0.418 797 H LEU 95 H LEU 95 7.690 -1.883 -1.870 798 HA LEU 95 HA LEU 95 6.747 0.667 -1.085 799 HB2 LEU 95 HB2 LEU 95 8.316 -0.687 0.300 800 HB3 LEU 95 HB3 LEU 95 9.582 -0.427 -0.890 801 HG LEU 95 HG LEU 95 9.280 2.112 -0.429 802 HD11 LEU 95 HD11 LEU 95 7.858 1.102 2.046 803 HD12 LEU 95 HD12 LEU 95 7.122 2.003 0.717 804 HD13 LEU 95 HD13 LEU 95 8.351 2.766 1.722 805 HD21 LEU 95 HD21 LEU 95 10.417 0.396 1.789 806 HD22 LEU 95 HD22 LEU 95 10.780 2.099 1.493 807 HD23 LEU 95 HD23 LEU 95 11.253 0.881 0.312 808 H LYS 96 H LYS 96 9.173 -0.297 -3.478 809 HA LYS 96 HA LYS 96 10.149 2.243 -4.249 810 HB2 LYS 96 HB2 LYS 96 9.884 -0.293 -5.918 811 HB3 LYS 96 HB3 LYS 96 10.898 1.092 -6.327 812 HG2 LYS 96 HG2 LYS 96 12.331 0.691 -4.419 813 HG3 LYS 96 HG3 LYS 96 11.249 -0.568 -3.808 814 HD2 LYS 96 HD2 LYS 96 11.747 -1.959 -5.801 815 HD3 LYS 96 HD3 LYS 96 12.824 -0.700 -6.416 816 HE2 LYS 96 HE2 LYS 96 13.218 -2.225 -3.811 817 HE3 LYS 96 HE3 LYS 96 14.062 -2.551 -5.327 818 HZ1 LYS 96 HZ1 LYS 96 15.003 -0.327 -5.234 819 HZ2 LYS 96 HZ2 LYS 96 15.413 -1.219 -3.861 820 HZ3 LYS 96 HZ3 LYS 96 14.216 -0.027 -3.767 821 H GLN 97 H GLN 97 7.564 0.236 -5.669 822 HA GLN 97 HA GLN 97 6.592 2.017 -7.636 823 HB2 GLN 97 HB2 GLN 97 5.228 -0.241 -6.107 824 HB3 GLN 97 HB3 GLN 97 4.470 0.591 -7.458 825 HG2 GLN 97 HG2 GLN 97 7.109 -0.890 -7.701 826 HG3 GLN 97 HG3 GLN 97 5.541 -1.648 -7.971 827 HE21 GLN 97 HE21 GLN 97 7.835 0.691 -9.211 828 HE22 GLN 97 HE22 GLN 97 7.150 0.811 -10.791 829 H LEU 98 H LEU 98 5.855 1.696 -4.195 830 HA LEU 98 HA LEU 98 3.580 3.404 -4.053 831 HB2 LEU 98 HB2 LEU 98 4.229 1.741 -2.294 832 HB3 LEU 98 HB3 LEU 98 5.611 2.743 -1.879 833 HG LEU 98 HG LEU 98 3.951 4.605 -1.276 834 HD11 LEU 98 HD11 LEU 98 2.010 3.787 -2.528 835 HD12 LEU 98 HD12 LEU 98 1.631 3.972 -0.818 836 HD13 LEU 98 HD13 LEU 98 1.916 2.363 -1.484 837 HD21 LEU 98 HD21 LEU 98 3.822 2.048 0.353 838 HD22 LEU 98 HD22 LEU 98 3.419 3.666 0.934 839 HD23 LEU 98 HD23 LEU 98 5.073 3.290 0.458 840 H GLN 99 H GLN 99 7.052 4.004 -3.448 841 HA GLN 99 HA GLN 99 6.897 6.782 -2.889 842 HB2 GLN 99 HB2 GLN 99 9.203 5.118 -3.984 843 HB3 GLN 99 HB3 GLN 99 9.364 6.794 -3.459 844 HG2 GLN 99 HG2 GLN 99 8.666 6.137 -1.178 845 HG3 GLN 99 HG3 GLN 99 8.538 4.459 -1.701 846 HE21 GLN 99 HE21 GLN 99 10.074 3.868 -0.113 847 HE22 GLN 99 HE22 GLN 99 11.756 4.191 -0.310 848 H GLU 100 H GLU 100 7.311 5.007 -5.933 849 HA GLU 100 HA GLU 100 7.581 7.241 -7.681 850 HB2 GLU 100 HB2 GLU 100 6.590 4.407 -8.201 851 HB3 GLU 100 HB3 GLU 100 6.894 5.590 -9.474 852 HG2 GLU 100 HG2 GLU 100 9.264 5.700 -8.820 853 HG3 GLU 100 HG3 GLU 100 8.975 4.537 -7.530 854 H PHE 101 H PHE 101 4.752 5.496 -6.428 855 HA PHE 101 HA PHE 101 2.807 7.009 -7.892 856 HB2 PHE 101 HB2 PHE 101 2.223 4.792 -6.959 857 HB3 PHE 101 HB3 PHE 101 2.432 5.407 -5.319 858 HD1 PHE 101 HD2 PHE 101 0.441 6.022 -8.443 859 HD2 PHE 101 HD1 PHE 101 0.548 6.338 -4.187 860 HE1 PHE 101 HE2 PHE 101 -1.863 6.855 -8.441 861 HE2 PHE 101 HE1 PHE 101 -1.762 7.179 -4.207 862 HZ PHE 101 HZ PHE 101 -2.964 7.444 -6.329 863 H SER 102 H SER 102 4.383 7.447 -4.718 864 HA SER 102 HA SER 102 2.849 9.611 -3.739 865 HB2 SER 102 HB2 SER 102 5.810 9.041 -3.305 866 HB3 SER 102 HB3 SER 102 4.853 10.189 -2.360 867 HG SER 102 HG SER 102 4.143 7.465 -2.617 868 H GLU 103 H GLU 103 5.513 9.509 -6.034 869 HA GLU 103 HA GLU 103 5.739 12.352 -6.414 870 HB2 GLU 103 HB2 GLU 103 6.676 10.017 -8.140 871 HB3 GLU 103 HB3 GLU 103 7.132 11.699 -8.401 872 HG2 GLU 103 HG2 GLU 103 7.765 10.116 -5.883 873 HG3 GLU 103 HG3 GLU 103 8.870 10.313 -7.240 874 H ASN 104 H ASN 104 3.804 9.792 -7.878 875 HA ASN 104 HA ASN 104 2.563 11.692 -9.803 876 HB2 ASN 104 HB2 ASN 104 3.070 8.698 -10.081 877 HB3 ASN 104 HB3 ASN 104 2.103 9.642 -11.215 878 HD21 ASN 104 HD21 ASN 104 5.319 8.973 -10.073 879 HD22 ASN 104 HD22 ASN 104 6.155 9.802 -11.326 880 H LYS 105 H LYS 105 1.545 11.364 -7.079 881 HA LYS 105 HA LYS 105 -0.820 9.756 -7.076 882 HB2 LYS 105 HB2 LYS 105 -0.068 12.202 -5.418 883 HB3 LYS 105 HB3 LYS 105 -1.632 11.415 -5.242 884 HG2 LYS 105 HG2 LYS 105 -0.290 9.261 -4.761 885 HG3 LYS 105 HG3 LYS 105 1.106 10.317 -4.555 886 HD2 LYS 105 HD2 LYS 105 -1.503 10.590 -3.001 887 HD3 LYS 105 HD3 LYS 105 -0.095 9.711 -2.408 888 HE2 LYS 105 HE2 LYS 105 1.220 11.756 -2.337 889 HE3 LYS 105 HE3 LYS 105 -0.072 12.666 -3.130 890 HZ1 LYS 105 HZ1 LYS 105 -0.014 13.037 -0.737 891 HZ2 LYS 105 HZ2 LYS 105 -0.275 11.391 -0.457 892 HZ3 LYS 105 HZ3 LYS 105 -1.469 12.320 -1.210 893 H GLU 106 H GLU 106 -0.385 13.241 -7.577 894 HA GLU 106 HA GLU 106 -2.876 13.415 -9.191 895 HB2 GLU 106 HB2 GLU 106 -1.727 15.504 -7.272 896 HB3 GLU 106 HB3 GLU 106 -3.200 15.682 -8.221 897 HG2 GLU 106 HG2 GLU 106 -4.339 14.008 -6.905 898 HG3 GLU 106 HG3 GLU 106 -2.848 13.550 -6.087 899 H LYS 107 H LYS 107 0.159 13.118 -9.808 900 HA LYS 107 HA LYS 107 0.692 15.674 -11.214 901 HB2 LYS 107 HB2 LYS 107 2.810 13.821 -10.067 902 HB3 LYS 107 HB3 LYS 107 3.042 15.446 -10.697 903 HG2 LYS 107 HG2 LYS 107 1.605 14.682 -8.129 904 HG3 LYS 107 HG3 LYS 107 3.196 15.432 -8.256 905 HD2 LYS 107 HD2 LYS 107 0.562 16.717 -9.100 906 HD3 LYS 107 HD3 LYS 107 1.415 17.048 -7.591 907 HE2 LYS 107 HE2 LYS 107 3.319 17.968 -8.868 908 HE3 LYS 107 HE3 LYS 107 2.485 17.610 -10.384 909 HZ1 LYS 107 HZ1 LYS 107 0.734 19.123 -9.732 910 HZ2 LYS 107 HZ2 LYS 107 2.228 19.913 -9.743 911 HZ3 LYS 107 HZ3 LYS 107 1.522 19.456 -8.277 912 H GLU 108 H GLU 108 0.182 12.405 -11.756 913 HA GLU 108 HA GLU 108 2.052 11.828 -13.821 914 HB2 GLU 108 HB2 GLU 108 0.748 9.822 -14.298 915 HB3 GLU 108 HB3 GLU 108 0.907 10.017 -12.563 916 HG2 GLU 108 HG2 GLU 108 -1.596 10.910 -14.017 917 HG3 GLU 108 HG3 GLU 108 -1.374 9.231 -13.547 918 H ILE 109 H ILE 109 1.995 12.176 -15.976 919 HA ILE 109 HA ILE 109 -0.414 13.288 -17.307 920 HB ILE 109 HB ILE 109 1.003 15.002 -18.493 921 HG12 ILE 109 HG12 ILE 109 3.125 14.266 -16.419 922 HG13 ILE 109 HG13 ILE 109 3.230 13.931 -18.142 923 HG21 ILE 109 HG21 ILE 109 1.078 16.634 -16.655 924 HG22 ILE 109 HG22 ILE 109 0.910 15.330 -15.477 925 HG23 ILE 109 HG23 ILE 109 -0.405 15.677 -16.602 926 HD11 ILE 109 HD11 ILE 109 3.206 16.657 -16.854 927 HD12 ILE 109 HD12 ILE 109 3.281 16.345 -18.591 928 HD13 ILE 109 HD13 ILE 109 4.597 15.822 -17.542 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -16.005 -50.302 1.006 2 H2 MET 1 H2 MET 1 -14.388 -50.714 1.265 3 H3 MET 1 H3 MET 1 -14.792 -49.143 0.788 4 HA MET 1 HA MET 1 -15.585 -50.430 3.335 5 HB2 MET 1 HB2 MET 1 -13.100 -49.950 3.014 6 HB3 MET 1 HB3 MET 1 -13.504 -48.242 2.918 7 HG2 MET 1 HG2 MET 1 -12.677 -48.840 5.131 8 HG3 MET 1 HG3 MET 1 -14.358 -48.311 5.221 9 HE1 MET 1 HE1 MET 1 -12.555 -50.094 7.402 10 HE2 MET 1 HE2 MET 1 -13.816 -51.172 7.998 11 HE3 MET 1 HE3 MET 1 -14.162 -49.459 7.775 12 H GLY 2 H GLY 2 -14.950 -47.067 3.650 13 HA2 GLY 2 HA2 GLY 2 -16.159 -45.127 3.626 14 HA3 GLY 2 HA3 GLY 2 -16.931 -45.772 2.197 15 H HIS 3 H HIS 3 -17.330 -47.292 5.380 16 HA HIS 3 HA HIS 3 -20.217 -47.018 5.188 17 HB2 HIS 3 HB2 HIS 3 -18.571 -48.290 7.405 18 HB3 HIS 3 HB3 HIS 3 -20.305 -48.484 7.154 19 HD1 HIS 3 HD1 HIS 3 -17.153 -50.093 6.418 20 HD2 HIS 3 HD2 HIS 3 -20.861 -49.845 4.549 21 HE1 HIS 3 HE1 HIS 3 -17.202 -51.978 4.765 22 HE2 HIS 3 HE2 HIS 3 -19.509 -51.916 3.781 23 H HIS 4 H HIS 4 -18.374 -46.532 8.258 24 HA HIS 4 HA HIS 4 -20.051 -44.190 8.876 25 HB2 HIS 4 HB2 HIS 4 -19.685 -46.112 10.538 26 HB3 HIS 4 HB3 HIS 4 -18.029 -45.548 10.715 27 HD1 HIS 4 HD1 HIS 4 -17.646 -43.585 12.279 28 HD2 HIS 4 HD2 HIS 4 -21.676 -44.293 11.563 29 HE1 HIS 4 HE1 HIS 4 -18.879 -42.159 13.930 30 HE2 HIS 4 HE2 HIS 4 -21.314 -42.649 13.525 31 H HIS 5 H HIS 5 -19.095 -42.733 7.389 32 HA HIS 5 HA HIS 5 -16.194 -42.161 7.598 33 HB2 HIS 5 HB2 HIS 5 -16.436 -41.210 5.289 34 HB3 HIS 5 HB3 HIS 5 -16.874 -42.910 5.382 35 HD1 HIS 5 HD1 HIS 5 -19.442 -43.484 5.172 36 HD2 HIS 5 HD2 HIS 5 -18.483 -39.512 4.431 37 HE1 HIS 5 HE1 HIS 5 -21.485 -42.487 4.114 38 HE2 HIS 5 HE2 HIS 5 -20.945 -40.054 3.861 39 H HIS 6 H HIS 6 -15.404 -40.087 7.883 40 HA HIS 6 HA HIS 6 -17.282 -37.790 7.864 41 HB2 HIS 6 HB2 HIS 6 -15.140 -38.315 9.967 42 HB3 HIS 6 HB3 HIS 6 -15.873 -36.736 9.724 43 HD1 HIS 6 HD1 HIS 6 -18.420 -36.510 10.343 44 HD2 HIS 6 HD2 HIS 6 -16.667 -40.103 11.465 45 HE1 HIS 6 HE1 HIS 6 -19.995 -37.527 12.004 46 HE2 HIS 6 HE2 HIS 6 -19.020 -39.789 12.488 47 H HIS 7 H HIS 7 -13.743 -37.953 8.439 48 HA HIS 7 HA HIS 7 -13.188 -36.939 5.726 49 HB2 HIS 7 HB2 HIS 7 -12.333 -35.501 8.276 50 HB3 HIS 7 HB3 HIS 7 -11.565 -35.220 6.719 51 HD1 HIS 7 HD1 HIS 7 -14.363 -34.135 8.773 52 HD2 HIS 7 HD2 HIS 7 -13.426 -34.091 4.732 53 HE1 HIS 7 HE1 HIS 7 -15.953 -32.498 7.744 54 HE2 HIS 7 HE2 HIS 7 -15.498 -32.646 5.285 55 H HIS 8 H HIS 8 -11.164 -37.272 8.699 56 HA HIS 8 HA HIS 8 -9.059 -38.058 9.005 57 HB2 HIS 8 HB2 HIS 8 -10.076 -40.296 7.198 58 HB3 HIS 8 HB3 HIS 8 -8.528 -40.359 8.028 59 HD1 HIS 8 HD1 HIS 8 -8.557 -41.397 10.288 60 HD2 HIS 8 HD2 HIS 8 -12.340 -40.101 9.145 61 HE1 HIS 8 HE1 HIS 8 -10.105 -42.179 12.095 62 HE2 HIS 8 HE2 HIS 8 -12.389 -41.436 11.365 63 H SER 9 H SER 9 -7.119 -39.261 7.353 64 HA SER 9 HA SER 9 -5.709 -39.090 5.593 65 HB2 SER 9 HB2 SER 9 -8.027 -37.725 4.168 66 HB3 SER 9 HB3 SER 9 -6.564 -38.325 3.384 67 HG SER 9 HG SER 9 -8.587 -39.812 4.703 68 H HIS 10 H HIS 10 -4.973 -37.204 3.775 69 HA HIS 10 HA HIS 10 -3.895 -35.093 5.493 70 HB2 HIS 10 HB2 HIS 10 -2.389 -36.451 4.023 71 HB3 HIS 10 HB3 HIS 10 -3.211 -35.809 2.606 72 HD1 HIS 10 HD1 HIS 10 -1.018 -34.671 5.479 73 HD2 HIS 10 HD2 HIS 10 -2.234 -33.371 1.726 74 HE1 HIS 10 HE1 HIS 10 0.352 -32.628 5.005 75 HE2 HIS 10 HE2 HIS 10 -0.363 -31.884 2.712 76 H MET 11 H MET 11 -5.704 -35.333 2.409 77 HA MET 11 HA MET 11 -7.040 -33.957 1.222 78 HB2 MET 11 HB2 MET 11 -7.361 -32.428 3.843 79 HB3 MET 11 HB3 MET 11 -8.390 -32.236 2.424 80 HG2 MET 11 HG2 MET 11 -8.108 -34.748 4.096 81 HG3 MET 11 HG3 MET 11 -9.478 -33.634 4.103 82 HE1 MET 11 HE1 MET 11 -10.942 -36.848 2.349 83 HE2 MET 11 HE2 MET 11 -11.142 -35.704 3.676 84 HE3 MET 11 HE3 MET 11 -9.767 -36.810 3.664 85 H ILE 12 H ILE 12 -7.479 -31.439 0.698 86 HA ILE 12 HA ILE 12 -4.887 -29.984 0.534 87 HB ILE 12 HB ILE 12 -6.989 -30.250 -1.679 88 HG12 ILE 12 HG12 ILE 12 -4.101 -31.244 -1.560 89 HG13 ILE 12 HG13 ILE 12 -5.542 -32.251 -1.491 90 HG21 ILE 12 HG21 ILE 12 -4.431 -28.602 -1.729 91 HG22 ILE 12 HG22 ILE 12 -6.076 -27.965 -1.692 92 HG23 ILE 12 HG23 ILE 12 -5.510 -28.859 -3.104 93 HD11 ILE 12 HD11 ILE 12 -4.518 -32.381 -3.667 94 HD12 ILE 12 HD12 ILE 12 -4.599 -30.631 -3.860 95 HD13 ILE 12 HD13 ILE 12 -6.086 -31.585 -3.805 96 H LYS 13 H LYS 13 -4.993 -27.716 0.690 97 HA LYS 13 HA LYS 13 -7.165 -26.601 2.223 98 HB2 LYS 13 HB2 LYS 13 -4.718 -25.237 1.024 99 HB3 LYS 13 HB3 LYS 13 -5.767 -24.558 2.269 100 HG2 LYS 13 HG2 LYS 13 -5.080 -26.352 3.830 101 HG3 LYS 13 HG3 LYS 13 -4.039 -27.046 2.582 102 HD2 LYS 13 HD2 LYS 13 -3.730 -24.284 3.834 103 HD3 LYS 13 HD3 LYS 13 -2.751 -25.700 4.218 104 HE2 LYS 13 HE2 LYS 13 -1.870 -25.725 1.907 105 HE3 LYS 13 HE3 LYS 13 -2.877 -24.335 1.500 106 HZ1 LYS 13 HZ1 LYS 13 -0.608 -23.700 1.977 107 HZ2 LYS 13 HZ2 LYS 13 -0.718 -24.357 3.531 108 HZ3 LYS 13 HZ3 LYS 13 -1.668 -23.023 3.109 109 H ARG 14 H ARG 14 -9.021 -26.498 0.964 110 HA ARG 14 HA ARG 14 -9.013 -25.124 -1.635 111 HB2 ARG 14 HB2 ARG 14 -11.202 -26.674 -0.197 112 HB3 ARG 14 HB3 ARG 14 -11.367 -25.972 -1.805 113 HG2 ARG 14 HG2 ARG 14 -9.424 -28.174 -1.009 114 HG3 ARG 14 HG3 ARG 14 -10.918 -28.385 -1.927 115 HD2 ARG 14 HD2 ARG 14 -9.992 -27.010 -3.760 116 HD3 ARG 14 HD3 ARG 14 -8.503 -26.769 -2.838 117 HE ARG 14 HE ARG 14 -8.877 -29.507 -3.060 118 HH11 ARG 14 HH11 ARG 14 -8.276 -26.906 -5.275 119 HH12 ARG 14 HH12 ARG 14 -7.493 -27.935 -6.416 120 HH21 ARG 14 HH21 ARG 14 -7.873 -30.781 -4.534 121 HH22 ARG 14 HH22 ARG 14 -7.268 -30.098 -6.002 122 H THR 15 H THR 15 -10.107 -24.595 1.658 123 HA THR 15 HA THR 15 -11.891 -22.412 1.114 124 HB THR 15 HB THR 15 -10.537 -23.179 3.744 125 HG1 THR 15 HG1 THR 15 -12.668 -24.103 4.142 126 HG21 THR 15 HG21 THR 15 -11.359 -20.838 3.814 127 HG22 THR 15 HG22 THR 15 -12.348 -21.880 4.837 128 HG23 THR 15 HG23 THR 15 -12.947 -21.374 3.257 129 H ASN 16 H ASN 16 -11.138 -20.577 0.205 130 HA ASN 16 HA ASN 16 -9.149 -18.969 1.601 131 HB2 ASN 16 HB2 ASN 16 -7.794 -18.489 -0.418 132 HB3 ASN 16 HB3 ASN 16 -7.749 -20.204 -0.031 133 HD21 ASN 16 HD21 ASN 16 -7.151 -20.781 -2.135 134 HD22 ASN 16 HD22 ASN 16 -8.233 -20.682 -3.477 135 H GLU 17 H GLU 17 -8.949 -16.733 0.289 136 HA GLU 17 HA GLU 17 -11.611 -15.909 -0.691 137 HB2 GLU 17 HB2 GLU 17 -10.773 -13.572 -0.459 138 HB3 GLU 17 HB3 GLU 17 -10.750 -14.468 1.054 139 HG2 GLU 17 HG2 GLU 17 -8.289 -14.832 0.743 140 HG3 GLU 17 HG3 GLU 17 -8.356 -13.808 -0.690 141 HA PRO 18 HA PRO 18 -10.011 -16.401 -4.997 142 HB2 PRO 18 HB2 PRO 18 -12.530 -14.807 -5.507 143 HB3 PRO 18 HB3 PRO 18 -11.945 -16.277 -6.306 144 HG2 PRO 18 HG2 PRO 18 -13.934 -16.392 -4.532 145 HG3 PRO 18 HG3 PRO 18 -12.705 -17.671 -4.593 146 HD2 PRO 18 HD2 PRO 18 -13.010 -15.421 -2.614 147 HD3 PRO 18 HD3 PRO 18 -12.486 -17.098 -2.342 148 H LEU 19 H LEU 19 -9.173 -14.909 -6.590 149 HA LEU 19 HA LEU 19 -7.982 -12.585 -5.531 150 HB2 LEU 19 HB2 LEU 19 -8.102 -13.840 -8.248 151 HB3 LEU 19 HB3 LEU 19 -7.578 -12.171 -8.183 152 HG LEU 19 HG LEU 19 -5.690 -13.775 -8.198 153 HD11 LEU 19 HD11 LEU 19 -4.408 -12.757 -6.372 154 HD12 LEU 19 HD12 LEU 19 -5.900 -12.144 -5.652 155 HD13 LEU 19 HD13 LEU 19 -5.372 -11.560 -7.233 156 HD21 LEU 19 HD21 LEU 19 -6.648 -14.621 -5.447 157 HD22 LEU 19 HD22 LEU 19 -5.152 -15.130 -6.246 158 HD23 LEU 19 HD23 LEU 19 -6.714 -15.608 -6.912 159 H ASP 20 H ASP 20 -10.932 -12.904 -7.401 160 HA ASP 20 HA ASP 20 -11.518 -10.173 -7.862 161 HB2 ASP 20 HB2 ASP 20 -13.458 -12.457 -7.284 162 HB3 ASP 20 HB3 ASP 20 -13.881 -10.921 -8.047 163 H LYS 21 H LYS 21 -12.374 -12.263 -5.083 164 HA LYS 21 HA LYS 21 -13.575 -10.177 -3.509 165 HB2 LYS 21 HB2 LYS 21 -12.636 -12.957 -2.748 166 HB3 LYS 21 HB3 LYS 21 -13.521 -11.878 -1.667 167 HG2 LYS 21 HG2 LYS 21 -15.402 -11.861 -3.341 168 HG3 LYS 21 HG3 LYS 21 -14.516 -13.072 -4.274 169 HD2 LYS 21 HD2 LYS 21 -16.225 -14.138 -2.885 170 HD3 LYS 21 HD3 LYS 21 -14.615 -14.623 -2.358 171 HE2 LYS 21 HE2 LYS 21 -14.754 -12.993 -0.482 172 HE3 LYS 21 HE3 LYS 21 -16.370 -12.526 -1.012 173 HZ1 LYS 21 HZ1 LYS 21 -15.543 -15.213 -0.060 174 HZ2 LYS 21 HZ2 LYS 21 -17.088 -14.812 -0.609 175 HZ3 LYS 21 HZ3 LYS 21 -16.477 -14.091 0.794 176 H LYS 22 H LYS 22 -10.321 -11.401 -3.839 177 HA LYS 22 HA LYS 22 -9.243 -10.477 -1.345 178 HB2 LYS 22 HB2 LYS 22 -8.238 -12.368 -2.612 179 HB3 LYS 22 HB3 LYS 22 -7.826 -11.272 -3.928 180 HG2 LYS 22 HG2 LYS 22 -6.354 -10.001 -2.267 181 HG3 LYS 22 HG3 LYS 22 -6.649 -11.320 -1.124 182 HD2 LYS 22 HD2 LYS 22 -5.708 -12.920 -2.827 183 HD3 LYS 22 HD3 LYS 22 -5.339 -11.532 -3.852 184 HE2 LYS 22 HE2 LYS 22 -3.753 -10.688 -2.218 185 HE3 LYS 22 HE3 LYS 22 -4.185 -11.962 -1.079 186 HZ1 LYS 22 HZ1 LYS 22 -3.278 -13.594 -2.583 187 HZ2 LYS 22 HZ2 LYS 22 -2.107 -12.422 -2.262 188 HZ3 LYS 22 HZ3 LYS 22 -2.928 -12.409 -3.737 189 H ARG 23 H ARG 23 -8.850 -9.425 -4.729 190 HA ARG 23 HA ARG 23 -7.473 -7.026 -4.374 191 HB2 ARG 23 HB2 ARG 23 -7.741 -8.115 -6.531 192 HB3 ARG 23 HB3 ARG 23 -9.480 -7.884 -6.486 193 HG2 ARG 23 HG2 ARG 23 -9.195 -5.460 -6.766 194 HG3 ARG 23 HG3 ARG 23 -7.438 -5.645 -6.726 195 HD2 ARG 23 HD2 ARG 23 -8.376 -5.410 -9.048 196 HD3 ARG 23 HD3 ARG 23 -7.454 -6.897 -8.809 197 HE ARG 23 HE ARG 23 -10.408 -6.701 -8.945 198 HH11 ARG 23 HH11 ARG 23 -7.563 -8.670 -9.255 199 HH12 ARG 23 HH12 ARG 23 -8.453 -10.006 -9.889 200 HH21 ARG 23 HH21 ARG 23 -11.500 -8.453 -9.706 201 HH22 ARG 23 HH22 ARG 23 -10.636 -9.887 -10.142 202 H ALA 24 H ALA 24 -10.993 -7.613 -4.385 203 HA ALA 24 HA ALA 24 -11.884 -4.965 -3.950 204 HB1 ALA 24 HB1 ALA 24 -13.181 -7.566 -3.075 205 HB2 ALA 24 HB2 ALA 24 -13.385 -6.784 -4.642 206 HB3 ALA 24 HB3 ALA 24 -13.989 -5.997 -3.183 207 H ARG 25 H ARG 25 -11.051 -7.548 -1.638 208 HA ARG 25 HA ARG 25 -11.693 -6.172 0.764 209 HB2 ARG 25 HB2 ARG 25 -11.551 -8.666 0.486 210 HB3 ARG 25 HB3 ARG 25 -9.804 -8.546 0.379 211 HG2 ARG 25 HG2 ARG 25 -11.202 -7.499 2.848 212 HG3 ARG 25 HG3 ARG 25 -11.014 -9.236 2.641 213 HD2 ARG 25 HD2 ARG 25 -8.753 -7.209 2.709 214 HD3 ARG 25 HD3 ARG 25 -9.221 -8.284 4.031 215 HE ARG 25 HE ARG 25 -8.601 -9.728 1.636 216 HH11 ARG 25 HH11 ARG 25 -7.150 -8.268 4.418 217 HH12 ARG 25 HH12 ARG 25 -5.680 -9.160 4.245 218 HH21 ARG 25 HH21 ARG 25 -6.744 -10.888 1.484 219 HH22 ARG 25 HH22 ARG 25 -5.454 -10.625 2.614 220 H LEU 26 H LEU 26 -8.727 -6.289 -1.165 221 HA LEU 26 HA LEU 26 -7.009 -5.111 0.822 222 HB2 LEU 26 HB2 LEU 26 -6.649 -5.436 -2.171 223 HB3 LEU 26 HB3 LEU 26 -5.404 -4.843 -1.085 224 HG LEU 26 HG LEU 26 -6.602 -7.656 -1.038 225 HD11 LEU 26 HD11 LEU 26 -4.403 -8.386 -1.783 226 HD12 LEU 26 HD12 LEU 26 -3.861 -6.708 -1.900 227 HD13 LEU 26 HD13 LEU 26 -5.153 -7.298 -2.950 228 HD21 LEU 26 HD21 LEU 26 -4.873 -8.128 0.678 229 HD22 LEU 26 HD22 LEU 26 -6.040 -6.932 1.231 230 HD23 LEU 26 HD23 LEU 26 -4.435 -6.413 0.706 231 H ILE 27 H ILE 27 -8.623 -3.825 -2.138 232 HA ILE 27 HA ILE 27 -7.946 -1.099 -1.763 233 HB ILE 27 HB ILE 27 -10.474 -2.200 -3.077 234 HG12 ILE 27 HG12 ILE 27 -7.775 -1.527 -4.332 235 HG13 ILE 27 HG13 ILE 27 -8.415 -3.143 -4.100 236 HG21 ILE 27 HG21 ILE 27 -10.652 0.223 -2.581 237 HG22 ILE 27 HG22 ILE 27 -10.559 -0.059 -4.319 238 HG23 ILE 27 HG23 ILE 27 -9.136 0.512 -3.440 239 HD11 ILE 27 HD11 ILE 27 -10.216 -2.627 -5.702 240 HD12 ILE 27 HD12 ILE 27 -8.604 -2.474 -6.399 241 HD13 ILE 27 HD13 ILE 27 -9.506 -1.029 -5.950 242 H TYR 28 H TYR 28 -10.575 -3.049 -0.403 243 HA TYR 28 HA TYR 28 -11.969 -1.103 1.075 244 HB2 TYR 28 HB2 TYR 28 -13.067 -3.151 0.997 245 HB3 TYR 28 HB3 TYR 28 -11.599 -4.082 1.212 246 HD1 TYR 28 HD2 TYR 28 -14.061 -1.961 3.100 247 HD2 TYR 28 HD1 TYR 28 -11.090 -5.030 3.328 248 HE1 TYR 28 HE2 TYR 28 -14.652 -2.373 5.444 249 HE2 TYR 28 HE1 TYR 28 -11.682 -5.436 5.676 250 HH TYR 28 HH TYR 28 -14.498 -4.198 7.103 251 H GLN 29 H GLN 29 -9.090 -3.030 2.036 252 HA GLN 29 HA GLN 29 -8.865 -1.871 4.670 253 HB2 GLN 29 HB2 GLN 29 -6.954 -3.563 3.028 254 HB3 GLN 29 HB3 GLN 29 -6.605 -3.046 4.672 255 HG2 GLN 29 HG2 GLN 29 -8.538 -4.312 5.497 256 HG3 GLN 29 HG3 GLN 29 -8.937 -4.809 3.854 257 HE21 GLN 29 HE21 GLN 29 -6.170 -5.313 3.049 258 HE22 GLN 29 HE22 GLN 29 -5.674 -6.739 3.874 259 H SER 30 H SER 30 -7.759 -0.854 1.523 260 HA SER 30 HA SER 30 -5.774 1.022 2.543 261 HB2 SER 30 HB2 SER 30 -5.569 1.775 0.220 262 HB3 SER 30 HB3 SER 30 -5.529 0.016 0.289 263 HG SER 30 HG SER 30 -7.888 1.484 -0.285 264 H ARG 31 H ARG 31 -9.187 1.046 1.759 265 HA ARG 31 HA ARG 31 -9.480 3.929 2.089 266 HB2 ARG 31 HB2 ARG 31 -11.589 1.752 1.777 267 HB3 ARG 31 HB3 ARG 31 -11.911 3.489 1.771 268 HG2 ARG 31 HG2 ARG 31 -10.432 3.690 -0.264 269 HG3 ARG 31 HG3 ARG 31 -10.290 1.935 -0.276 270 HD2 ARG 31 HD2 ARG 31 -11.965 2.561 -1.887 271 HD3 ARG 31 HD3 ARG 31 -12.795 1.796 -0.524 272 HE ARG 31 HE ARG 31 -12.716 4.565 -0.084 273 HH11 ARG 31 HH11 ARG 31 -14.272 2.399 -2.305 274 HH12 ARG 31 HH12 ARG 31 -15.627 3.445 -2.505 275 HH21 ARG 31 HH21 ARG 31 -14.424 5.862 -0.383 276 HH22 ARG 31 HH22 ARG 31 -15.722 5.385 -1.416 277 H LYS 32 H LYS 32 -9.371 1.206 4.210 278 HA LYS 32 HA LYS 32 -10.252 2.928 6.471 279 HB2 LYS 32 HB2 LYS 32 -9.746 -0.066 6.270 280 HB3 LYS 32 HB3 LYS 32 -9.893 0.766 7.819 281 HG2 LYS 32 HG2 LYS 32 -12.186 1.533 7.108 282 HG3 LYS 32 HG3 LYS 32 -12.028 0.493 5.681 283 HD2 LYS 32 HD2 LYS 32 -11.853 -1.489 7.075 284 HD3 LYS 32 HD3 LYS 32 -11.761 -0.506 8.540 285 HE2 LYS 32 HE2 LYS 32 -14.176 -0.740 6.712 286 HE3 LYS 32 HE3 LYS 32 -13.990 -1.516 8.284 287 HZ1 LYS 32 HZ1 LYS 32 -13.792 0.754 9.245 288 HZ2 LYS 32 HZ2 LYS 32 -15.295 0.428 8.547 289 HZ3 LYS 32 HZ3 LYS 32 -14.181 1.390 7.727 290 H ARG 33 H ARG 33 -8.550 4.167 7.142 291 HA ARG 33 HA ARG 33 -5.963 2.899 7.821 292 HB2 ARG 33 HB2 ARG 33 -6.300 5.553 6.340 293 HB3 ARG 33 HB3 ARG 33 -4.786 4.995 7.029 294 HG2 ARG 33 HG2 ARG 33 -6.260 3.529 4.816 295 HG3 ARG 33 HG3 ARG 33 -5.018 4.745 4.522 296 HD2 ARG 33 HD2 ARG 33 -3.835 2.732 4.347 297 HD3 ARG 33 HD3 ARG 33 -3.491 3.232 6.001 298 HE ARG 33 HE ARG 33 -5.637 1.300 5.426 299 HH11 ARG 33 HH11 ARG 33 -2.652 1.963 7.048 300 HH12 ARG 33 HH12 ARG 33 -2.680 0.454 7.886 301 HH21 ARG 33 HH21 ARG 33 -5.660 -0.552 6.519 302 HH22 ARG 33 HH22 ARG 33 -4.358 -0.956 7.586 303 H GLY 34 H GLY 34 -4.669 4.987 8.941 304 HA2 GLY 34 HA2 GLY 34 -6.275 5.803 11.267 305 HA3 GLY 34 HA3 GLY 34 -4.532 5.921 11.096 306 H ILE 35 H ILE 35 -4.247 7.320 8.732 307 HA ILE 35 HA ILE 35 -5.566 9.943 9.231 308 HB ILE 35 HB ILE 35 -3.552 11.052 8.285 309 HG12 ILE 35 HG12 ILE 35 -2.153 8.336 8.401 310 HG13 ILE 35 HG13 ILE 35 -2.789 9.026 6.916 311 HG21 ILE 35 HG21 ILE 35 -3.739 10.839 10.715 312 HG22 ILE 35 HG22 ILE 35 -2.049 10.743 10.223 313 HG23 ILE 35 HG23 ILE 35 -2.921 9.275 10.667 314 HD11 ILE 35 HD11 ILE 35 -1.241 10.889 7.103 315 HD12 ILE 35 HD12 ILE 35 -0.401 9.337 7.107 316 HD13 ILE 35 HD13 ILE 35 -0.619 10.222 8.615 317 H LEU 36 H LEU 36 -6.068 11.237 7.404 318 HA LEU 36 HA LEU 36 -7.127 9.756 5.203 319 HB2 LEU 36 HB2 LEU 36 -7.113 12.723 5.817 320 HB3 LEU 36 HB3 LEU 36 -7.837 12.080 4.356 321 HG LEU 36 HG LEU 36 -9.608 12.472 5.919 322 HD11 LEU 36 HD11 LEU 36 -9.869 10.461 4.583 323 HD12 LEU 36 HD12 LEU 36 -10.646 10.281 6.152 324 HD13 LEU 36 HD13 LEU 36 -9.097 9.490 5.841 325 HD21 LEU 36 HD21 LEU 36 -8.343 12.552 8.007 326 HD22 LEU 36 HD22 LEU 36 -8.137 10.799 7.980 327 HD23 LEU 36 HD23 LEU 36 -9.749 11.500 8.164 328 H GLU 37 H GLU 37 -4.129 11.496 5.607 329 HA GLU 37 HA GLU 37 -3.456 11.783 2.861 330 HB2 GLU 37 HB2 GLU 37 -1.762 11.595 5.369 331 HB3 GLU 37 HB3 GLU 37 -1.010 11.646 3.779 332 HG2 GLU 37 HG2 GLU 37 -2.762 13.779 5.030 333 HG3 GLU 37 HG3 GLU 37 -1.026 13.862 4.725 334 H THR 38 H THR 38 -2.890 9.085 5.151 335 HA THR 38 HA THR 38 -1.613 7.418 3.179 336 HB THR 38 HB THR 38 -2.821 6.517 5.831 337 HG1 THR 38 HG1 THR 38 -0.095 6.824 5.693 338 HG21 THR 38 HG21 THR 38 -2.245 4.637 4.283 339 HG22 THR 38 HG22 THR 38 -1.193 4.676 5.700 340 HG23 THR 38 HG23 THR 38 -0.603 5.274 4.148 341 H ASP 39 H ASP 39 -5.015 7.806 4.275 342 HA ASP 39 HA ASP 39 -6.215 5.728 2.807 343 HB2 ASP 39 HB2 ASP 39 -7.222 8.523 3.458 344 HB3 ASP 39 HB3 ASP 39 -8.217 7.373 2.575 345 H LEU 40 H LEU 40 -5.678 9.120 1.685 346 HA LEU 40 HA LEU 40 -6.485 8.719 -1.000 347 HB2 LEU 40 HB2 LEU 40 -4.654 10.833 0.194 348 HB3 LEU 40 HB3 LEU 40 -5.317 10.909 -1.436 349 HG LEU 40 HG LEU 40 -6.965 10.939 1.134 350 HD11 LEU 40 HD11 LEU 40 -5.705 13.016 0.850 351 HD12 LEU 40 HD12 LEU 40 -7.431 13.283 0.623 352 HD13 LEU 40 HD13 LEU 40 -6.359 13.212 -0.779 353 HD21 LEU 40 HD21 LEU 40 -8.892 11.451 -0.315 354 HD22 LEU 40 HD22 LEU 40 -8.197 9.881 -0.705 355 HD23 LEU 40 HD23 LEU 40 -7.875 11.267 -1.750 356 H LEU 41 H LEU 41 -3.357 8.292 0.561 357 HA LEU 41 HA LEU 41 -1.743 7.987 -1.779 358 HB2 LEU 41 HB2 LEU 41 -0.832 8.493 0.476 359 HB3 LEU 41 HB3 LEU 41 -1.336 6.906 1.036 360 HG LEU 41 HG LEU 41 0.292 5.865 -0.592 361 HD11 LEU 41 HD11 LEU 41 2.046 7.252 -1.609 362 HD12 LEU 41 HD12 LEU 41 1.226 8.715 -1.054 363 HD13 LEU 41 HD13 LEU 41 0.450 7.660 -2.239 364 HD21 LEU 41 HD21 LEU 41 0.887 6.182 1.777 365 HD22 LEU 41 HD22 LEU 41 1.539 7.783 1.407 366 HD23 LEU 41 HD23 LEU 41 2.298 6.339 0.731 367 H LEU 42 H LEU 42 -3.029 5.484 0.486 368 HA LEU 42 HA LEU 42 -2.110 3.333 -1.177 369 HB2 LEU 42 HB2 LEU 42 -3.748 3.392 1.366 370 HB3 LEU 42 HB3 LEU 42 -3.389 1.887 0.525 371 HG LEU 42 HG LEU 42 -1.357 3.786 1.771 372 HD11 LEU 42 HD11 LEU 42 -2.493 2.393 3.405 373 HD12 LEU 42 HD12 LEU 42 -0.817 1.892 3.232 374 HD13 LEU 42 HD13 LEU 42 -2.102 0.935 2.489 375 HD21 LEU 42 HD21 LEU 42 -0.835 1.269 0.144 376 HD22 LEU 42 HD22 LEU 42 0.380 2.163 1.064 377 HD23 LEU 42 HD23 LEU 42 -0.416 2.925 -0.309 378 H SER 43 H SER 43 -5.273 4.855 -0.750 379 HA SER 43 HA SER 43 -6.795 2.824 -2.086 380 HB2 SER 43 HB2 SER 43 -7.459 5.742 -1.563 381 HB3 SER 43 HB3 SER 43 -8.604 4.566 -2.217 382 HG SER 43 HG SER 43 -7.338 4.536 0.326 383 H GLY 44 H GLY 44 -5.264 5.847 -3.198 384 HA2 GLY 44 HA2 GLY 44 -5.999 5.673 -5.949 385 HA3 GLY 44 HA3 GLY 44 -4.618 6.545 -5.297 386 H PHE 45 H PHE 45 -3.159 4.552 -4.142 387 HA PHE 45 HA PHE 45 -1.736 3.204 -6.167 388 HB2 PHE 45 HB2 PHE 45 -0.861 3.782 -3.880 389 HB3 PHE 45 HB3 PHE 45 -1.893 2.544 -3.184 390 HD1 PHE 45 HD2 PHE 45 -1.367 0.121 -3.566 391 HD2 PHE 45 HD1 PHE 45 1.254 3.208 -4.961 392 HE1 PHE 45 HE2 PHE 45 0.435 -1.523 -3.846 393 HE2 PHE 45 HE1 PHE 45 3.030 1.544 -5.232 394 HZ PHE 45 HZ PHE 45 2.635 -0.811 -4.680 395 H ALA 46 H ALA 46 -4.510 2.263 -4.230 396 HA ALA 46 HA ALA 46 -4.436 -0.531 -4.806 397 HB1 ALA 46 HB1 ALA 46 -5.452 0.378 -2.759 398 HB2 ALA 46 HB2 ALA 46 -6.582 -0.627 -3.665 399 HB3 ALA 46 HB3 ALA 46 -6.723 1.133 -3.725 400 H ALA 47 H ALA 47 -6.271 2.206 -6.136 401 HA ALA 47 HA ALA 47 -7.857 0.720 -7.986 402 HB1 ALA 47 HB1 ALA 47 -7.038 3.648 -8.071 403 HB2 ALA 47 HB2 ALA 47 -8.453 2.988 -7.248 404 HB3 ALA 47 HB3 ALA 47 -8.347 2.911 -9.005 405 H LYS 48 H LYS 48 -4.629 2.090 -8.162 406 HA LYS 48 HA LYS 48 -4.392 1.861 -11.062 407 HB2 LYS 48 HB2 LYS 48 -3.480 3.826 -9.882 408 HB3 LYS 48 HB3 LYS 48 -2.422 2.785 -8.934 409 HG2 LYS 48 HG2 LYS 48 -1.231 2.133 -11.023 410 HG3 LYS 48 HG3 LYS 48 -2.270 3.228 -11.942 411 HD2 LYS 48 HD2 LYS 48 -0.412 4.078 -9.681 412 HD3 LYS 48 HD3 LYS 48 -0.015 4.190 -11.395 413 HE2 LYS 48 HE2 LYS 48 -2.328 5.627 -10.038 414 HE3 LYS 48 HE3 LYS 48 -0.776 6.359 -10.447 415 HZ1 LYS 48 HZ1 LYS 48 -2.794 5.286 -12.344 416 HZ2 LYS 48 HZ2 LYS 48 -1.247 5.807 -12.791 417 HZ3 LYS 48 HZ3 LYS 48 -2.344 6.904 -12.127 418 H TYR 49 H TYR 49 -2.667 0.501 -8.229 419 HA TYR 49 HA TYR 49 -0.961 -1.110 -9.917 420 HB2 TYR 49 HB2 TYR 49 -1.025 -0.548 -6.951 421 HB3 TYR 49 HB3 TYR 49 0.000 -1.824 -7.602 422 HD1 TYR 49 HD1 TYR 49 -0.596 1.861 -7.651 423 HD2 TYR 49 HD2 TYR 49 1.991 -1.322 -8.835 424 HE1 TYR 49 HE1 TYR 49 1.137 3.496 -8.266 425 HE2 TYR 49 HE2 TYR 49 3.720 0.313 -9.440 426 HH TYR 49 HH TYR 49 3.723 3.454 -8.473 427 H LEU 50 H LEU 50 -3.540 -1.894 -7.498 428 HA LEU 50 HA LEU 50 -3.300 -4.722 -7.707 429 HB2 LEU 50 HB2 LEU 50 -5.643 -2.976 -6.945 430 HB3 LEU 50 HB3 LEU 50 -5.872 -4.703 -7.145 431 HG LEU 50 HG LEU 50 -4.031 -5.035 -5.408 432 HD11 LEU 50 HD11 LEU 50 -3.062 -2.765 -5.506 433 HD12 LEU 50 HD12 LEU 50 -3.514 -3.266 -3.879 434 HD13 LEU 50 HD13 LEU 50 -4.542 -2.142 -4.765 435 HD21 LEU 50 HD21 LEU 50 -6.576 -3.679 -4.512 436 HD22 LEU 50 HD22 LEU 50 -5.531 -4.691 -3.518 437 HD23 LEU 50 HD23 LEU 50 -6.382 -5.392 -4.887 438 H LYS 51 H LYS 51 -4.623 -2.431 -9.902 439 HA LYS 51 HA LYS 51 -6.229 -4.019 -11.568 440 HB2 LYS 51 HB2 LYS 51 -6.025 -1.495 -11.556 441 HB3 LYS 51 HB3 LYS 51 -4.466 -1.657 -12.343 442 HG2 LYS 51 HG2 LYS 51 -5.789 -1.192 -14.164 443 HG3 LYS 51 HG3 LYS 51 -5.866 -2.952 -14.192 444 HD2 LYS 51 HD2 LYS 51 -7.972 -1.134 -12.947 445 HD3 LYS 51 HD3 LYS 51 -8.071 -1.815 -14.567 446 HE2 LYS 51 HE2 LYS 51 -8.070 -3.382 -11.963 447 HE3 LYS 51 HE3 LYS 51 -9.461 -3.097 -13.014 448 HZ1 LYS 51 HZ1 LYS 51 -8.410 -4.370 -14.742 449 HZ2 LYS 51 HZ2 LYS 51 -8.468 -5.298 -13.334 450 HZ3 LYS 51 HZ3 LYS 51 -7.011 -4.586 -13.815 451 H LYS 52 H LYS 52 -2.713 -3.738 -11.346 452 HA LYS 52 HA LYS 52 -2.316 -5.547 -13.673 453 HB2 LYS 52 HB2 LYS 52 -0.406 -3.456 -12.539 454 HB3 LYS 52 HB3 LYS 52 -0.080 -4.501 -13.921 455 HG2 LYS 52 HG2 LYS 52 -2.011 -3.428 -15.116 456 HG3 LYS 52 HG3 LYS 52 -2.183 -2.315 -13.756 457 HD2 LYS 52 HD2 LYS 52 0.279 -2.587 -15.531 458 HD3 LYS 52 HD3 LYS 52 -0.929 -1.306 -15.651 459 HE2 LYS 52 HE2 LYS 52 -0.312 -0.522 -13.379 460 HE3 LYS 52 HE3 LYS 52 0.882 -1.818 -13.262 461 HZ1 LYS 52 HZ1 LYS 52 1.833 0.326 -13.899 462 HZ2 LYS 52 HZ2 LYS 52 0.917 0.316 -15.318 463 HZ3 LYS 52 HZ3 LYS 52 2.104 -0.862 -15.066 464 H MET 53 H MET 53 -1.696 -5.272 -10.220 465 HA MET 53 HA MET 53 0.785 -6.726 -10.183 466 HB2 MET 53 HB2 MET 53 -1.033 -5.719 -7.985 467 HB3 MET 53 HB3 MET 53 0.229 -6.875 -7.593 468 HG2 MET 53 HG2 MET 53 1.870 -5.268 -8.664 469 HG3 MET 53 HG3 MET 53 0.569 -4.079 -8.674 470 HE1 MET 53 HE1 MET 53 -0.572 -3.163 -6.356 471 HE2 MET 53 HE2 MET 53 -0.078 -3.731 -4.759 472 HE3 MET 53 HE3 MET 53 -0.907 -4.825 -5.866 473 H ASN 54 H ASN 54 1.257 -8.731 -9.396 474 HA ASN 54 HA ASN 54 -0.662 -10.837 -9.944 475 HB2 ASN 54 HB2 ASN 54 2.230 -11.003 -8.994 476 HB3 ASN 54 HB3 ASN 54 1.270 -12.348 -9.612 477 HD21 ASN 54 HD21 ASN 54 3.777 -11.275 -10.601 478 HD22 ASN 54 HD22 ASN 54 3.499 -10.820 -12.238 479 H GLU 55 H GLU 55 -0.766 -12.757 -8.423 480 HA GLU 55 HA GLU 55 -2.143 -12.184 -6.108 481 HB2 GLU 55 HB2 GLU 55 -0.535 -14.709 -6.681 482 HB3 GLU 55 HB3 GLU 55 -1.858 -14.573 -5.521 483 HG2 GLU 55 HG2 GLU 55 -3.424 -14.085 -7.358 484 HG3 GLU 55 HG3 GLU 55 -2.106 -14.198 -8.522 485 H GLU 56 H GLU 56 1.292 -13.083 -6.368 486 HA GLU 56 HA GLU 56 1.911 -13.136 -3.604 487 HB2 GLU 56 HB2 GLU 56 4.290 -13.109 -4.330 488 HB3 GLU 56 HB3 GLU 56 3.318 -14.307 -5.178 489 HG2 GLU 56 HG2 GLU 56 3.190 -12.833 -7.155 490 HG3 GLU 56 HG3 GLU 56 4.139 -11.607 -6.312 491 H GLU 57 H GLU 57 2.080 -10.480 -5.959 492 HA GLU 57 HA GLU 57 3.325 -8.542 -4.249 493 HB2 GLU 57 HB2 GLU 57 1.592 -8.143 -6.719 494 HB3 GLU 57 HB3 GLU 57 2.596 -6.909 -5.963 495 HG2 GLU 57 HG2 GLU 57 4.621 -8.200 -6.511 496 HG3 GLU 57 HG3 GLU 57 3.619 -9.459 -7.242 497 H LEU 58 H LEU 58 -0.046 -9.246 -5.098 498 HA LEU 58 HA LEU 58 -1.378 -7.267 -3.657 499 HB2 LEU 58 HB2 LEU 58 -2.319 -10.096 -4.255 500 HB3 LEU 58 HB3 LEU 58 -3.353 -8.793 -3.693 501 HG LEU 58 HG LEU 58 -2.022 -9.078 -6.402 502 HD11 LEU 58 HD11 LEU 58 -4.287 -8.853 -7.258 503 HD12 LEU 58 HD12 LEU 58 -4.916 -8.628 -5.622 504 HD13 LEU 58 HD13 LEU 58 -4.194 -10.169 -6.091 505 HD21 LEU 58 HD21 LEU 58 -2.843 -6.827 -6.988 506 HD22 LEU 58 HD22 LEU 58 -1.607 -6.777 -5.736 507 HD23 LEU 58 HD23 LEU 58 -3.305 -6.560 -5.304 508 H GLU 59 H GLU 59 -0.424 -10.535 -2.483 509 HA GLU 59 HA GLU 59 -1.578 -10.144 0.140 510 HB2 GLU 59 HB2 GLU 59 -0.453 -12.281 0.716 511 HB3 GLU 59 HB3 GLU 59 -1.427 -12.382 -0.743 512 HG2 GLU 59 HG2 GLU 59 0.797 -11.987 -2.017 513 HG3 GLU 59 HG3 GLU 59 1.585 -12.381 -0.487 514 H GLU 60 H GLU 60 1.592 -9.560 -1.279 515 HA GLU 60 HA GLU 60 2.918 -8.787 1.125 516 HB2 GLU 60 HB2 GLU 60 4.084 -9.272 -1.040 517 HB3 GLU 60 HB3 GLU 60 3.392 -7.806 -1.722 518 HG2 GLU 60 HG2 GLU 60 5.737 -7.493 -1.032 519 HG3 GLU 60 HG3 GLU 60 4.634 -6.423 -0.166 520 H TYR 61 H TYR 61 0.875 -7.035 -1.211 521 HA TYR 61 HA TYR 61 0.989 -4.466 -0.048 522 HB2 TYR 61 HB2 TYR 61 0.129 -4.819 -2.329 523 HB3 TYR 61 HB3 TYR 61 -1.241 -5.730 -1.697 524 HD1 TYR 61 HD2 TYR 61 0.388 -2.377 -1.155 525 HD2 TYR 61 HD1 TYR 61 -3.285 -4.528 -1.566 526 HE1 TYR 61 HE2 TYR 61 -0.862 -0.283 -0.941 527 HE2 TYR 61 HE1 TYR 61 -4.539 -2.426 -1.341 528 HH TYR 61 HH TYR 61 -3.096 0.603 -1.593 529 H ASP 62 H ASP 62 -1.052 -7.267 0.643 530 HA ASP 62 HA ASP 62 -2.820 -6.189 2.528 531 HB2 ASP 62 HB2 ASP 62 -2.891 -8.525 1.572 532 HB3 ASP 62 HB3 ASP 62 -1.534 -8.961 2.600 533 H SER 63 H SER 63 0.449 -7.575 2.999 534 HA SER 63 HA SER 63 0.781 -7.094 5.747 535 HB2 SER 63 HB2 SER 63 2.884 -7.154 3.552 536 HB3 SER 63 HB3 SER 63 3.238 -7.240 5.279 537 HG SER 63 HG SER 63 2.668 -9.230 3.676 538 H LEU 64 H LEU 64 1.306 -4.889 2.995 539 HA LEU 64 HA LEU 64 2.448 -2.720 4.439 540 HB2 LEU 64 HB2 LEU 64 2.548 -2.989 1.956 541 HB3 LEU 64 HB3 LEU 64 0.829 -2.654 1.866 542 HG LEU 64 HG LEU 64 1.256 -0.351 2.752 543 HD11 LEU 64 HD11 LEU 64 4.194 -1.079 2.520 544 HD12 LEU 64 HD12 LEU 64 3.309 -0.744 4.011 545 HD13 LEU 64 HD13 LEU 64 3.556 0.539 2.830 546 HD21 LEU 64 HD21 LEU 64 2.800 -1.040 0.224 547 HD22 LEU 64 HD22 LEU 64 2.255 0.575 0.686 548 HD23 LEU 64 HD23 LEU 64 1.073 -0.683 0.334 549 H LEU 65 H LEU 65 -0.891 -3.638 3.734 550 HA LEU 65 HA LEU 65 -2.198 -1.373 4.901 551 HB2 LEU 65 HB2 LEU 65 -3.218 -4.206 4.438 552 HB3 LEU 65 HB3 LEU 65 -4.230 -2.802 4.765 553 HG LEU 65 HG LEU 65 -2.419 -3.014 2.322 554 HD11 LEU 65 HD11 LEU 65 -4.369 -3.572 0.983 555 HD12 LEU 65 HD12 LEU 65 -5.376 -3.628 2.428 556 HD13 LEU 65 HD13 LEU 65 -4.080 -4.803 2.211 557 HD21 LEU 65 HD21 LEU 65 -4.698 -1.120 2.947 558 HD22 LEU 65 HD22 LEU 65 -3.792 -1.181 1.432 559 HD23 LEU 65 HD23 LEU 65 -2.977 -0.724 2.925 560 H ASN 66 H ASN 66 -0.818 -4.303 6.245 561 HA ASN 66 HA ASN 66 -1.942 -3.854 8.917 562 HB2 ASN 66 HB2 ASN 66 0.038 -5.937 7.893 563 HB3 ASN 66 HB3 ASN 66 -0.526 -5.847 9.561 564 HD21 ASN 66 HD21 ASN 66 -1.248 -6.960 6.404 565 HD22 ASN 66 HD22 ASN 66 -2.802 -7.621 6.735 566 H GLU 67 H GLU 67 0.387 -2.204 7.297 567 HA GLU 67 HA GLU 67 2.274 -1.883 9.531 568 HB2 GLU 67 HB2 GLU 67 2.206 -0.435 6.841 569 HB3 GLU 67 HB3 GLU 67 3.484 -0.303 8.047 570 HG2 GLU 67 HG2 GLU 67 2.747 -2.749 6.429 571 HG3 GLU 67 HG3 GLU 67 4.187 -1.755 6.245 572 H LEU 68 H LEU 68 2.936 0.404 10.058 573 HA LEU 68 HA LEU 68 0.701 1.896 11.092 574 HB2 LEU 68 HB2 LEU 68 3.688 2.488 11.153 575 HB3 LEU 68 HB3 LEU 68 2.465 3.365 12.067 576 HG LEU 68 HG LEU 68 3.085 0.397 12.427 577 HD11 LEU 68 HD11 LEU 68 4.972 1.774 13.166 578 HD12 LEU 68 HD12 LEU 68 4.161 1.015 14.534 579 HD13 LEU 68 HD13 LEU 68 3.895 2.728 14.193 580 HD21 LEU 68 HD21 LEU 68 1.295 2.241 14.054 581 HD22 LEU 68 HD22 LEU 68 1.679 0.564 14.455 582 HD23 LEU 68 HD23 LEU 68 0.761 0.931 12.998 583 H ASP 69 H ASP 69 -0.200 3.663 10.304 584 HA ASP 69 HA ASP 69 -0.226 4.222 7.601 585 HB2 ASP 69 HB2 ASP 69 -1.155 6.059 9.837 586 HB3 ASP 69 HB3 ASP 69 -1.710 6.105 8.159 587 H TRP 70 H TRP 70 1.194 6.448 10.086 588 HA TRP 70 HA TRP 70 2.228 8.333 8.260 589 HB2 TRP 70 HB2 TRP 70 3.067 7.654 11.096 590 HB3 TRP 70 HB3 TRP 70 3.878 8.914 10.170 591 HD1 TRP 70 HD1 TRP 70 0.896 8.399 12.376 592 HE1 TRP 70 HE1 TRP 70 -0.548 10.522 12.388 593 HE3 TRP 70 HE3 TRP 70 3.050 10.900 8.437 594 HZ2 TRP 70 HZ2 TRP 70 -0.768 12.927 10.929 595 HZ3 TRP 70 HZ3 TRP 70 2.146 13.104 7.802 596 HH2 TRP 70 HH2 TRP 70 0.271 14.091 9.024 597 H ASP 71 H ASP 71 3.649 5.281 9.446 598 HA ASP 71 HA ASP 71 6.269 5.660 8.418 599 HB2 ASP 71 HB2 ASP 71 4.692 3.125 9.040 600 HB3 ASP 71 HB3 ASP 71 6.390 3.121 8.558 601 H ILE 72 H ILE 72 3.471 3.901 7.038 602 HA ILE 72 HA ILE 72 4.373 3.214 4.508 603 HB ILE 72 HB ILE 72 1.607 4.310 5.212 604 HG12 ILE 72 HG12 ILE 72 2.459 1.381 5.188 605 HG13 ILE 72 HG13 ILE 72 2.401 2.361 6.647 606 HG21 ILE 72 HG21 ILE 72 2.410 2.524 2.884 607 HG22 ILE 72 HG22 ILE 72 1.905 4.212 2.778 608 HG23 ILE 72 HG23 ILE 72 0.758 2.981 3.301 609 HD11 ILE 72 HD11 ILE 72 0.042 1.700 4.881 610 HD12 ILE 72 HD12 ILE 72 -0.010 2.659 6.363 611 HD13 ILE 72 HD13 ILE 72 0.434 0.954 6.430 612 H TYR 73 H TYR 73 3.021 6.307 5.583 613 HA TYR 73 HA TYR 73 2.965 7.643 3.079 614 HB2 TYR 73 HB2 TYR 73 1.542 8.228 5.045 615 HB3 TYR 73 HB3 TYR 73 2.970 8.795 5.903 616 HD1 TYR 73 HD2 TYR 73 1.172 9.368 2.639 617 HD2 TYR 73 HD1 TYR 73 3.396 11.127 5.849 618 HE1 TYR 73 HE2 TYR 73 0.840 11.593 1.657 619 HE2 TYR 73 HE1 TYR 73 3.058 13.351 4.861 620 HH TYR 73 HH TYR 73 0.813 13.931 2.368 621 H TYR 74 H TYR 74 5.357 7.631 5.736 622 HA TYR 74 HA TYR 74 7.036 9.667 4.563 623 HB2 TYR 74 HB2 TYR 74 7.273 7.911 7.021 624 HB3 TYR 74 HB3 TYR 74 8.645 8.863 6.481 625 HD1 TYR 74 HD1 TYR 74 7.871 11.450 5.845 626 HD2 TYR 74 HD2 TYR 74 6.058 8.927 8.781 627 HE1 TYR 74 HE1 TYR 74 7.053 13.433 7.047 628 HE2 TYR 74 HE2 TYR 74 5.229 10.905 9.970 629 HH TYR 74 HH TYR 74 5.258 14.031 8.628 630 H TRP 75 H TRP 75 7.052 6.118 4.493 631 HA TRP 75 HA TRP 75 9.639 5.789 3.309 632 HB2 TRP 75 HB2 TRP 75 7.225 3.968 2.904 633 HB3 TRP 75 HB3 TRP 75 8.902 3.557 2.620 634 HD1 TRP 75 HD1 TRP 75 9.774 4.807 5.662 635 HE1 TRP 75 HE1 TRP 75 9.326 3.262 7.660 636 HE3 TRP 75 HE3 TRP 75 6.346 1.652 3.522 637 HZ2 TRP 75 HZ2 TRP 75 7.748 1.015 8.269 638 HZ3 TRP 75 HZ3 TRP 75 5.415 -0.174 4.893 639 HH2 TRP 75 HH2 TRP 75 6.104 -0.486 7.220 640 H ALA 76 H ALA 76 6.360 6.193 2.025 641 HA ALA 76 HA ALA 76 6.852 5.918 -0.744 642 HB1 ALA 76 HB1 ALA 76 4.641 6.945 -1.027 643 HB2 ALA 76 HB2 ALA 76 4.673 7.508 0.648 644 HB3 ALA 76 HB3 ALA 76 4.618 5.780 0.299 645 H THR 77 H THR 77 6.450 8.890 1.203 646 HA THR 77 HA THR 77 7.156 10.746 -0.849 647 HB THR 77 HB THR 77 7.323 12.428 0.985 648 HG1 THR 77 HG1 THR 77 6.511 10.607 2.940 649 HG21 THR 77 HG21 THR 77 4.996 12.286 1.808 650 HG22 THR 77 HG22 THR 77 4.894 10.611 1.264 651 HG23 THR 77 HG23 THR 77 5.079 11.913 0.084 652 H LYS 78 H LYS 78 9.042 8.687 1.118 653 HA LYS 78 HA LYS 78 11.216 8.276 1.452 654 HB2 LYS 78 HB2 LYS 78 11.206 8.603 -1.098 655 HB3 LYS 78 HB3 LYS 78 11.839 10.217 -0.807 656 HG2 LYS 78 HG2 LYS 78 13.832 9.194 0.300 657 HG3 LYS 78 HG3 LYS 78 13.198 7.593 -0.088 658 HD2 LYS 78 HD2 LYS 78 14.907 8.269 -1.724 659 HD3 LYS 78 HD3 LYS 78 13.332 8.122 -2.506 660 HE2 LYS 78 HE2 LYS 78 13.062 10.595 -2.397 661 HE3 LYS 78 HE3 LYS 78 14.649 10.729 -1.636 662 HZ1 LYS 78 HZ1 LYS 78 14.616 11.172 -4.042 663 HZ2 LYS 78 HZ2 LYS 78 14.183 9.562 -4.315 664 HZ3 LYS 78 HZ3 LYS 78 15.672 9.925 -3.606 665 H ASN 79 H ASN 79 9.824 10.694 2.640 666 HA ASN 79 HA ASN 79 11.892 12.536 3.444 667 HB2 ASN 79 HB2 ASN 79 9.412 13.079 3.402 668 HB3 ASN 79 HB3 ASN 79 9.174 11.966 4.741 669 HD21 ASN 79 HD21 ASN 79 8.457 14.694 4.759 670 HD22 ASN 79 HD22 ASN 79 9.389 15.489 5.974 671 H PHE 80 H PHE 80 10.147 9.836 4.952 672 HA PHE 80 HA PHE 80 10.395 8.472 6.688 673 HB2 PHE 80 HB2 PHE 80 13.358 9.095 6.398 674 HB3 PHE 80 HB3 PHE 80 12.710 7.841 7.449 675 HD1 PHE 80 HD1 PHE 80 11.688 5.786 6.463 676 HD2 PHE 80 HD2 PHE 80 13.470 8.767 3.970 677 HE1 PHE 80 HE1 PHE 80 11.736 4.206 4.587 678 HE2 PHE 80 HE2 PHE 80 13.502 7.170 2.097 679 HZ PHE 80 HZ PHE 80 12.635 4.888 2.407 680 H LYS 81 H LYS 81 12.910 10.759 7.507 681 HA LYS 81 HA LYS 81 13.516 11.912 9.319 682 HB2 LYS 81 HB2 LYS 81 11.774 13.346 8.196 683 HB3 LYS 81 HB3 LYS 81 10.599 12.759 9.370 684 HG2 LYS 81 HG2 LYS 81 11.868 13.762 11.198 685 HG3 LYS 81 HG3 LYS 81 13.147 14.246 10.079 686 HD2 LYS 81 HD2 LYS 81 11.525 15.733 8.902 687 HD3 LYS 81 HD3 LYS 81 10.278 15.271 10.068 688 HE2 LYS 81 HE2 LYS 81 11.567 16.291 11.890 689 HE3 LYS 81 HE3 LYS 81 12.889 16.664 10.779 690 HZ1 LYS 81 HZ1 LYS 81 10.143 17.779 10.654 691 HZ2 LYS 81 HZ2 LYS 81 11.384 18.116 9.559 692 HZ3 LYS 81 HZ3 LYS 81 11.528 18.596 11.174 693 H THR 82 H THR 82 10.240 11.049 10.406 694 HA THR 82 HA THR 82 11.266 10.265 13.074 695 HB THR 82 HB THR 82 9.451 11.922 13.060 696 HG1 THR 82 HG1 THR 82 8.289 9.524 14.043 697 HG21 THR 82 HG21 THR 82 7.158 11.358 12.351 698 HG22 THR 82 HG22 THR 82 7.704 9.784 11.768 699 HG23 THR 82 HG23 THR 82 8.269 11.261 10.982 700 H SER 83 H SER 83 9.859 8.907 10.223 701 HA SER 83 HA SER 83 9.415 6.251 11.471 702 HB2 SER 83 HB2 SER 83 8.187 7.458 8.955 703 HB3 SER 83 HB3 SER 83 7.897 5.818 9.538 704 HG SER 83 HG SER 83 6.401 6.636 10.739 705 HA PRO 84 HA PRO 84 13.101 5.485 8.735 706 HB2 PRO 84 HB2 PRO 84 14.273 3.551 10.220 707 HB3 PRO 84 HB3 PRO 84 14.345 5.252 10.708 708 HG2 PRO 84 HG2 PRO 84 12.476 3.083 11.690 709 HG3 PRO 84 HG3 PRO 84 13.410 4.256 12.645 710 HD2 PRO 84 HD2 PRO 84 10.759 4.621 12.035 711 HD3 PRO 84 HD3 PRO 84 11.889 5.978 12.257 712 H LEU 85 H LEU 85 13.921 3.449 7.638 713 HA LEU 85 HA LEU 85 11.653 1.855 6.717 714 HB2 LEU 85 HB2 LEU 85 13.310 2.971 5.154 715 HB3 LEU 85 HB3 LEU 85 14.519 1.821 5.702 716 HG LEU 85 HG LEU 85 13.058 -0.048 4.855 717 HD11 LEU 85 HD11 LEU 85 11.195 0.476 3.330 718 HD12 LEU 85 HD12 LEU 85 11.371 2.195 3.691 719 HD13 LEU 85 HD13 LEU 85 10.881 1.069 4.960 720 HD21 LEU 85 HD21 LEU 85 13.852 1.999 2.755 721 HD22 LEU 85 HD22 LEU 85 13.559 0.280 2.473 722 HD23 LEU 85 HD23 LEU 85 14.915 0.786 3.479 723 HA PRO 86 HA PRO 86 13.068 -1.726 9.262 724 HB2 PRO 86 HB2 PRO 86 10.680 -3.083 8.091 725 HB3 PRO 86 HB3 PRO 86 11.068 -2.763 9.787 726 HG2 PRO 86 HG2 PRO 86 9.104 -1.415 8.534 727 HG3 PRO 86 HG3 PRO 86 10.146 -0.613 9.733 728 HD2 PRO 86 HD2 PRO 86 10.357 -0.552 6.706 729 HD3 PRO 86 HD3 PRO 86 10.400 0.806 7.858 730 H ASP 87 H ASP 87 13.520 -4.041 8.772 731 HA ASP 87 HA ASP 87 15.223 -4.244 6.510 732 HB2 ASP 87 HB2 ASP 87 14.320 -6.491 8.365 733 HB3 ASP 87 HB3 ASP 87 15.758 -6.485 7.347 734 H LYS 88 H LYS 88 12.092 -5.755 7.258 735 HA LYS 88 HA LYS 88 11.898 -7.414 4.968 736 HB2 LYS 88 HB2 LYS 88 9.615 -7.821 5.633 737 HB3 LYS 88 HB3 LYS 88 10.613 -7.737 7.078 738 HG2 LYS 88 HG2 LYS 88 9.782 -5.338 7.380 739 HG3 LYS 88 HG3 LYS 88 8.642 -5.657 6.065 740 HD2 LYS 88 HD2 LYS 88 7.814 -7.660 7.448 741 HD3 LYS 88 HD3 LYS 88 8.787 -7.028 8.780 742 HE2 LYS 88 HE2 LYS 88 6.562 -6.242 9.149 743 HE3 LYS 88 HE3 LYS 88 7.460 -4.854 8.540 744 HZ1 LYS 88 HZ1 LYS 88 5.692 -6.597 6.911 745 HZ2 LYS 88 HZ2 LYS 88 6.516 -5.227 6.363 746 HZ3 LYS 88 HZ3 LYS 88 5.287 -5.075 7.514 747 H TRP 89 H TRP 89 11.500 -4.001 5.213 748 HA TRP 89 HA TRP 89 10.120 -3.851 2.595 749 HB2 TRP 89 HB2 TRP 89 10.578 -1.701 4.702 750 HB3 TRP 89 HB3 TRP 89 9.778 -1.431 3.154 751 HD1 TRP 89 HD1 TRP 89 8.977 -2.314 6.649 752 HE1 TRP 89 HE1 TRP 89 6.584 -3.197 6.840 753 HE3 TRP 89 HE3 TRP 89 7.982 -3.065 1.689 754 HZ2 TRP 89 HZ2 TRP 89 4.540 -4.133 5.139 755 HZ3 TRP 89 HZ3 TRP 89 5.785 -3.964 1.050 756 HH2 TRP 89 HH2 TRP 89 4.094 -4.485 2.740 757 H ALA 90 H ALA 90 13.231 -3.427 4.069 758 HA ALA 90 HA ALA 90 14.490 -1.841 2.089 759 HB1 ALA 90 HB1 ALA 90 15.680 -4.066 3.791 760 HB2 ALA 90 HB2 ALA 90 15.560 -2.364 4.245 761 HB3 ALA 90 HB3 ALA 90 16.593 -2.845 2.898 762 H ASN 91 H ASN 91 14.720 -2.267 0.000 763 HA ASN 91 HA ASN 91 14.924 -3.189 -2.044 764 HB2 ASN 91 HB2 ASN 91 15.637 -5.814 -0.668 765 HB3 ASN 91 HB3 ASN 91 15.846 -5.459 -2.383 766 HD21 ASN 91 HD21 ASN 91 17.133 -5.002 0.798 767 HD22 ASN 91 HD22 ASN 91 18.585 -4.204 0.317 768 H SER 92 H SER 92 12.346 -3.265 -0.503 769 HA SER 92 HA SER 92 10.822 -5.475 -1.615 770 HB2 SER 92 HB2 SER 92 10.031 -4.549 0.472 771 HB3 SER 92 HB3 SER 92 9.970 -2.920 -0.192 772 HG SER 92 HG SER 92 8.062 -4.793 -0.196 773 H LYS 93 H LYS 93 9.860 -5.571 -3.590 774 HA LYS 93 HA LYS 93 10.044 -3.564 -5.596 775 HB2 LYS 93 HB2 LYS 93 9.771 -5.963 -6.141 776 HB3 LYS 93 HB3 LYS 93 8.155 -5.962 -5.442 777 HG2 LYS 93 HG2 LYS 93 7.333 -4.490 -7.205 778 HG3 LYS 93 HG3 LYS 93 8.965 -4.290 -7.852 779 HD2 LYS 93 HD2 LYS 93 8.999 -6.761 -8.356 780 HD3 LYS 93 HD3 LYS 93 7.314 -6.846 -7.826 781 HE2 LYS 93 HE2 LYS 93 8.292 -5.086 -10.105 782 HE3 LYS 93 HE3 LYS 93 7.616 -6.696 -10.323 783 HZ1 LYS 93 HZ1 LYS 93 5.536 -5.970 -9.522 784 HZ2 LYS 93 HZ2 LYS 93 6.039 -4.812 -10.646 785 HZ3 LYS 93 HZ3 LYS 93 6.154 -4.491 -8.995 786 H LEU 94 H LEU 94 7.376 -4.546 -3.465 787 HA LEU 94 HA LEU 94 5.315 -2.873 -4.345 788 HB2 LEU 94 HB2 LEU 94 5.041 -4.758 -2.762 789 HB3 LEU 94 HB3 LEU 94 5.927 -3.861 -1.541 790 HG LEU 94 HG LEU 94 4.069 -2.101 -1.634 791 HD11 LEU 94 HD11 LEU 94 2.579 -4.239 -3.182 792 HD12 LEU 94 HD12 LEU 94 3.093 -2.665 -3.800 793 HD13 LEU 94 HD13 LEU 94 1.886 -2.754 -2.517 794 HD21 LEU 94 HD21 LEU 94 4.250 -3.688 0.203 795 HD22 LEU 94 HD22 LEU 94 3.307 -4.875 -0.700 796 HD23 LEU 94 HD23 LEU 94 2.562 -3.361 -0.184 797 H LEU 95 H LEU 95 7.879 -2.263 -1.951 798 HA LEU 95 HA LEU 95 7.106 0.310 -1.092 799 HB2 LEU 95 HB2 LEU 95 8.836 -1.057 0.051 800 HB3 LEU 95 HB3 LEU 95 9.910 -0.845 -1.323 801 HG LEU 95 HG LEU 95 9.839 1.669 -0.879 802 HD11 LEU 95 HD11 LEU 95 8.523 0.833 1.717 803 HD12 LEU 95 HD12 LEU 95 7.777 1.762 0.412 804 HD13 LEU 95 HD13 LEU 95 9.122 2.445 1.319 805 HD21 LEU 95 HD21 LEU 95 11.777 0.337 -0.216 806 HD22 LEU 95 HD22 LEU 95 11.010 -0.048 1.327 807 HD23 LEU 95 HD23 LEU 95 11.455 1.620 0.954 808 H LYS 96 H LYS 96 9.340 -0.687 -3.692 809 HA LYS 96 HA LYS 96 10.182 1.843 -4.600 810 HB2 LYS 96 HB2 LYS 96 9.897 -0.776 -6.120 811 HB3 LYS 96 HB3 LYS 96 10.750 0.641 -6.737 812 HG2 LYS 96 HG2 LYS 96 12.374 0.507 -4.917 813 HG3 LYS 96 HG3 LYS 96 11.489 -0.839 -4.191 814 HD2 LYS 96 HD2 LYS 96 13.479 -1.613 -5.426 815 HD3 LYS 96 HD3 LYS 96 11.992 -2.255 -6.126 816 HE2 LYS 96 HE2 LYS 96 13.608 -1.509 -7.861 817 HE3 LYS 96 HE3 LYS 96 12.099 -0.600 -7.935 818 HZ1 LYS 96 HZ1 LYS 96 13.172 1.215 -6.768 819 HZ2 LYS 96 HZ2 LYS 96 14.040 0.823 -8.165 820 HZ3 LYS 96 HZ3 LYS 96 14.606 0.331 -6.651 821 H GLN 97 H GLN 97 7.463 -0.167 -5.626 822 HA GLN 97 HA GLN 97 6.283 1.419 -7.621 823 HB2 GLN 97 HB2 GLN 97 5.075 -0.513 -5.600 824 HB3 GLN 97 HB3 GLN 97 4.154 0.184 -6.926 825 HG2 GLN 97 HG2 GLN 97 5.552 -0.944 -8.562 826 HG3 GLN 97 HG3 GLN 97 6.614 -1.554 -7.290 827 HE21 GLN 97 HE21 GLN 97 4.934 -2.984 -9.311 828 HE22 GLN 97 HE22 GLN 97 3.963 -4.082 -8.389 829 H LEU 98 H LEU 98 5.846 1.443 -4.091 830 HA LEU 98 HA LEU 98 3.721 3.351 -3.983 831 HB2 LEU 98 HB2 LEU 98 4.217 1.626 -2.232 832 HB3 LEU 98 HB3 LEU 98 5.673 2.509 -1.800 833 HG LEU 98 HG LEU 98 4.236 4.461 -1.117 834 HD11 LEU 98 HD11 LEU 98 1.815 4.141 -0.797 835 HD12 LEU 98 HD12 LEU 98 1.914 2.582 -1.621 836 HD13 LEU 98 HD13 LEU 98 2.279 4.072 -2.497 837 HD21 LEU 98 HD21 LEU 98 5.044 2.885 0.577 838 HD22 LEU 98 HD22 LEU 98 3.623 1.865 0.336 839 HD23 LEU 98 HD23 LEU 98 3.442 3.491 0.999 840 H GLN 99 H GLN 99 7.232 3.635 -3.719 841 HA GLN 99 HA GLN 99 7.387 6.346 -2.874 842 HB2 GLN 99 HB2 GLN 99 9.430 4.585 -4.290 843 HB3 GLN 99 HB3 GLN 99 9.796 6.184 -3.638 844 HG2 GLN 99 HG2 GLN 99 9.204 5.407 -1.376 845 HG3 GLN 99 HG3 GLN 99 8.822 3.811 -2.015 846 HE21 GLN 99 HE21 GLN 99 10.807 4.652 -0.009 847 HE22 GLN 99 HE22 GLN 99 12.323 4.046 -0.576 848 H GLU 100 H GLU 100 7.742 4.898 -6.128 849 HA GLU 100 HA GLU 100 7.997 7.400 -7.513 850 HB2 GLU 100 HB2 GLU 100 7.833 6.108 -9.566 851 HB3 GLU 100 HB3 GLU 100 8.864 5.248 -8.428 852 HG2 GLU 100 HG2 GLU 100 6.959 3.750 -7.861 853 HG3 GLU 100 HG3 GLU 100 5.963 4.596 -9.041 854 H PHE 101 H PHE 101 5.256 5.392 -6.535 855 HA PHE 101 HA PHE 101 3.222 6.655 -8.045 856 HB2 PHE 101 HB2 PHE 101 2.736 4.541 -6.962 857 HB3 PHE 101 HB3 PHE 101 3.112 5.195 -5.369 858 HD1 PHE 101 HD2 PHE 101 0.689 5.507 -8.214 859 HD2 PHE 101 HD1 PHE 101 1.402 6.201 -4.053 860 HE1 PHE 101 HE2 PHE 101 -1.644 6.209 -7.922 861 HE2 PHE 101 HE1 PHE 101 -0.928 6.909 -3.781 862 HZ PHE 101 HZ PHE 101 -2.451 6.915 -5.711 863 H SER 102 H SER 102 4.428 7.314 -4.720 864 HA SER 102 HA SER 102 2.648 9.342 -3.972 865 HB2 SER 102 HB2 SER 102 4.196 8.247 -2.392 866 HB3 SER 102 HB3 SER 102 5.570 9.040 -3.164 867 HG SER 102 HG SER 102 5.203 10.599 -1.811 868 H GLU 103 H GLU 103 5.481 9.547 -6.009 869 HA GLU 103 HA GLU 103 5.765 12.380 -6.160 870 HB2 GLU 103 HB2 GLU 103 6.515 10.272 -8.231 871 HB3 GLU 103 HB3 GLU 103 7.156 11.911 -8.139 872 HG2 GLU 103 HG2 GLU 103 7.585 9.708 -6.093 873 HG3 GLU 103 HG3 GLU 103 8.753 10.237 -7.299 874 H ASN 104 H ASN 104 3.933 10.024 -8.095 875 HA ASN 104 HA ASN 104 2.817 12.169 -9.835 876 HB2 ASN 104 HB2 ASN 104 3.324 9.244 -10.556 877 HB3 ASN 104 HB3 ASN 104 2.762 10.507 -11.647 878 HD21 ASN 104 HD21 ASN 104 5.506 9.155 -10.023 879 HD22 ASN 104 HD22 ASN 104 6.712 10.104 -10.807 880 H LYS 105 H LYS 105 1.658 11.039 -7.289 881 HA LYS 105 HA LYS 105 -0.242 9.016 -7.806 882 HB2 LYS 105 HB2 LYS 105 -1.163 9.545 -5.539 883 HB3 LYS 105 HB3 LYS 105 0.559 9.201 -5.606 884 HG2 LYS 105 HG2 LYS 105 1.038 11.629 -5.435 885 HG3 LYS 105 HG3 LYS 105 -0.701 11.949 -5.300 886 HD2 LYS 105 HD2 LYS 105 -0.835 10.698 -3.220 887 HD3 LYS 105 HD3 LYS 105 0.820 10.112 -3.407 888 HE2 LYS 105 HE2 LYS 105 0.800 11.856 -1.743 889 HE3 LYS 105 HE3 LYS 105 1.632 12.455 -3.179 890 HZ1 LYS 105 HZ1 LYS 105 0.162 14.122 -2.315 891 HZ2 LYS 105 HZ2 LYS 105 -1.162 13.079 -2.382 892 HZ3 LYS 105 HZ3 LYS 105 -0.429 13.608 -3.810 893 H GLU 106 H GLU 106 -0.561 12.464 -8.062 894 HA GLU 106 HA GLU 106 -3.474 12.248 -8.606 895 HB2 GLU 106 HB2 GLU 106 -1.840 14.578 -7.507 896 HB3 GLU 106 HB3 GLU 106 -3.559 14.664 -7.896 897 HG2 GLU 106 HG2 GLU 106 -4.092 13.041 -6.169 898 HG3 GLU 106 HG3 GLU 106 -2.385 12.746 -5.849 899 H LYS 107 H LYS 107 -1.000 11.994 -10.445 900 HA LYS 107 HA LYS 107 -1.468 14.199 -12.342 901 HB2 LYS 107 HB2 LYS 107 0.582 11.952 -12.369 902 HB3 LYS 107 HB3 LYS 107 0.428 13.168 -13.639 903 HG2 LYS 107 HG2 LYS 107 0.874 14.935 -11.889 904 HG3 LYS 107 HG3 LYS 107 1.226 13.627 -10.744 905 HD2 LYS 107 HD2 LYS 107 3.040 12.824 -12.198 906 HD3 LYS 107 HD3 LYS 107 2.663 14.071 -13.391 907 HE2 LYS 107 HE2 LYS 107 3.276 15.812 -11.733 908 HE3 LYS 107 HE3 LYS 107 3.685 14.543 -10.570 909 HZ1 LYS 107 HZ1 LYS 107 4.960 14.893 -13.226 910 HZ2 LYS 107 HZ2 LYS 107 5.388 13.756 -12.047 911 HZ3 LYS 107 HZ3 LYS 107 5.618 15.406 -11.756 912 H GLU 108 H GLU 108 -3.702 13.406 -12.681 913 HA GLU 108 HA GLU 108 -3.833 11.393 -14.867 914 HB2 GLU 108 HB2 GLU 108 -6.258 11.334 -14.497 915 HB3 GLU 108 HB3 GLU 108 -5.416 11.015 -12.986 916 HG2 GLU 108 HG2 GLU 108 -5.870 13.267 -12.190 917 HG3 GLU 108 HG3 GLU 108 -6.589 13.708 -13.739 918 H ILE 109 H ILE 109 -5.855 12.210 -16.432 919 HA ILE 109 HA ILE 109 -6.549 13.607 -18.102 920 HB ILE 109 HB ILE 109 -5.808 15.789 -16.096 921 HG12 ILE 109 HG12 ILE 109 -8.553 14.644 -16.790 922 HG13 ILE 109 HG13 ILE 109 -7.618 14.202 -15.368 923 HG21 ILE 109 HG21 ILE 109 -5.813 16.779 -18.334 924 HG22 ILE 109 HG22 ILE 109 -7.212 17.348 -17.427 925 HG23 ILE 109 HG23 ILE 109 -7.410 16.103 -18.664 926 HD11 ILE 109 HD11 ILE 109 -7.806 16.505 -14.538 927 HD12 ILE 109 HD12 ILE 109 -9.381 15.764 -14.812 928 HD13 ILE 109 HD13 ILE 109 -8.752 16.940 -15.965 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -8.327 -35.141 -35.370 2 H2 MET 1 H2 MET 1 -8.989 -33.612 -35.100 3 H3 MET 1 H3 MET 1 -9.995 -34.972 -35.149 4 HA MET 1 HA MET 1 -8.916 -35.865 -33.182 5 HB2 MET 1 HB2 MET 1 -7.467 -33.180 -33.168 6 HB3 MET 1 HB3 MET 1 -7.437 -34.339 -31.846 7 HG2 MET 1 HG2 MET 1 -6.321 -35.979 -33.341 8 HG3 MET 1 HG3 MET 1 -6.289 -34.754 -34.618 9 HE1 MET 1 HE1 MET 1 -2.530 -35.040 -33.290 10 HE2 MET 1 HE2 MET 1 -3.582 -35.287 -34.682 11 HE3 MET 1 HE3 MET 1 -3.701 -36.359 -33.285 12 H GLY 2 H GLY 2 -11.090 -35.827 -32.543 13 HA2 GLY 2 HA2 GLY 2 -11.805 -34.285 -30.385 14 HA3 GLY 2 HA3 GLY 2 -12.451 -33.400 -31.761 15 H HIS 3 H HIS 3 -14.322 -33.939 -30.185 16 HA HIS 3 HA HIS 3 -16.454 -34.620 -30.155 17 HB2 HIS 3 HB2 HIS 3 -16.246 -34.474 -32.648 18 HB3 HIS 3 HB3 HIS 3 -15.844 -36.185 -32.692 19 HD1 HIS 3 HD1 HIS 3 -17.811 -37.467 -33.488 20 HD2 HIS 3 HD2 HIS 3 -18.969 -34.242 -31.133 21 HE1 HIS 3 HE1 HIS 3 -20.309 -37.595 -33.358 22 HE2 HIS 3 HE2 HIS 3 -20.984 -35.702 -31.849 23 H HIS 4 H HIS 4 -14.032 -36.699 -29.380 24 HA HIS 4 HA HIS 4 -15.872 -38.723 -28.280 25 HB2 HIS 4 HB2 HIS 4 -13.523 -39.441 -30.081 26 HB3 HIS 4 HB3 HIS 4 -14.341 -40.606 -29.049 27 HD1 HIS 4 HD1 HIS 4 -17.055 -40.758 -29.558 28 HD2 HIS 4 HD2 HIS 4 -14.606 -39.314 -32.587 29 HE1 HIS 4 HE1 HIS 4 -18.397 -40.978 -31.661 30 HE2 HIS 4 HE2 HIS 4 -16.807 -40.334 -33.494 31 H HIS 5 H HIS 5 -13.237 -36.724 -27.697 32 HA HIS 5 HA HIS 5 -11.624 -38.512 -26.091 33 HB2 HIS 5 HB2 HIS 5 -11.477 -35.503 -26.480 34 HB3 HIS 5 HB3 HIS 5 -10.312 -36.427 -25.537 35 HD1 HIS 5 HD1 HIS 5 -8.554 -37.761 -26.808 36 HD2 HIS 5 HD2 HIS 5 -11.318 -35.928 -29.299 37 HE1 HIS 5 HE1 HIS 5 -7.642 -38.029 -29.121 38 HE2 HIS 5 HE2 HIS 5 -9.404 -37.056 -30.619 39 H HIS 6 H HIS 6 -13.898 -35.860 -25.353 40 HA HIS 6 HA HIS 6 -15.107 -35.288 -23.533 41 HB2 HIS 6 HB2 HIS 6 -14.494 -38.117 -22.592 42 HB3 HIS 6 HB3 HIS 6 -15.697 -37.062 -21.856 43 HD1 HIS 6 HD1 HIS 6 -15.185 -39.407 -24.658 44 HD2 HIS 6 HD2 HIS 6 -17.980 -36.546 -23.542 45 HE1 HIS 6 HE1 HIS 6 -17.203 -39.859 -26.074 46 HE2 HIS 6 HE2 HIS 6 -18.913 -38.178 -25.310 47 H HIS 7 H HIS 7 -12.218 -34.693 -23.541 48 HA HIS 7 HA HIS 7 -11.262 -34.740 -20.836 49 HB2 HIS 7 HB2 HIS 7 -9.687 -34.467 -22.730 50 HB3 HIS 7 HB3 HIS 7 -10.436 -32.928 -23.148 51 HD1 HIS 7 HD1 HIS 7 -8.737 -31.196 -22.562 52 HD2 HIS 7 HD2 HIS 7 -9.026 -34.096 -19.604 53 HE1 HIS 7 HE1 HIS 7 -7.208 -30.435 -20.733 54 HE2 HIS 7 HE2 HIS 7 -7.277 -32.275 -19.032 55 H HIS 8 H HIS 8 -12.899 -34.012 -19.527 56 HA HIS 8 HA HIS 8 -14.410 -31.601 -20.017 57 HB2 HIS 8 HB2 HIS 8 -15.487 -32.212 -17.781 58 HB3 HIS 8 HB3 HIS 8 -15.615 -33.423 -19.050 59 HD1 HIS 8 HD1 HIS 8 -14.354 -35.655 -18.721 60 HD2 HIS 8 HD2 HIS 8 -13.926 -33.008 -15.536 61 HE1 HIS 8 HE1 HIS 8 -13.360 -37.000 -16.853 62 HE2 HIS 8 HE2 HIS 8 -13.099 -35.386 -14.946 63 H SER 9 H SER 9 -11.469 -32.258 -18.356 64 HA SER 9 HA SER 9 -10.019 -31.069 -17.081 65 HB2 SER 9 HB2 SER 9 -10.293 -29.412 -18.956 66 HB3 SER 9 HB3 SER 9 -11.565 -28.613 -18.035 67 HG SER 9 HG SER 9 -9.700 -27.510 -17.631 68 H HIS 10 H HIS 10 -10.216 -28.879 -15.353 69 HA HIS 10 HA HIS 10 -12.660 -29.228 -13.699 70 HB2 HIS 10 HB2 HIS 10 -9.809 -29.051 -12.594 71 HB3 HIS 10 HB3 HIS 10 -11.279 -29.070 -11.626 72 HD1 HIS 10 HD1 HIS 10 -8.797 -31.271 -13.126 73 HD2 HIS 10 HD2 HIS 10 -12.732 -31.649 -11.842 74 HE1 HIS 10 HE1 HIS 10 -9.188 -33.735 -12.892 75 HE2 HIS 10 HE2 HIS 10 -11.585 -33.946 -12.168 76 H MET 11 H MET 11 -13.403 -27.356 -12.702 77 HA MET 11 HA MET 11 -12.074 -24.779 -13.365 78 HB2 MET 11 HB2 MET 11 -15.031 -25.406 -12.921 79 HB3 MET 11 HB3 MET 11 -14.385 -23.782 -13.140 80 HG2 MET 11 HG2 MET 11 -13.679 -24.316 -15.400 81 HG3 MET 11 HG3 MET 11 -14.163 -26.002 -15.187 82 HE1 MET 11 HE1 MET 11 -16.832 -24.682 -17.747 83 HE2 MET 11 HE2 MET 11 -15.588 -25.894 -17.437 84 HE3 MET 11 HE3 MET 11 -15.136 -24.203 -17.674 85 H ILE 12 H ILE 12 -13.355 -23.092 -11.591 86 HA ILE 12 HA ILE 12 -11.979 -23.693 -9.117 87 HB ILE 12 HB ILE 12 -13.629 -21.245 -9.927 88 HG12 ILE 12 HG12 ILE 12 -11.338 -20.078 -9.872 89 HG13 ILE 12 HG13 ILE 12 -10.599 -21.661 -9.705 90 HG21 ILE 12 HG21 ILE 12 -12.728 -20.112 -7.901 91 HG22 ILE 12 HG22 ILE 12 -12.015 -21.639 -7.376 92 HG23 ILE 12 HG23 ILE 12 -13.767 -21.480 -7.495 93 HD11 ILE 12 HD11 ILE 12 -11.453 -22.272 -11.920 94 HD12 ILE 12 HD12 ILE 12 -10.436 -20.834 -11.965 95 HD13 ILE 12 HD13 ILE 12 -12.189 -20.674 -12.072 96 H LYS 13 H LYS 13 -13.028 -25.437 -8.198 97 HA LYS 13 HA LYS 13 -15.832 -25.156 -7.270 98 HB2 LYS 13 HB2 LYS 13 -14.004 -27.570 -7.569 99 HB3 LYS 13 HB3 LYS 13 -15.397 -27.645 -6.504 100 HG2 LYS 13 HG2 LYS 13 -15.987 -28.647 -8.597 101 HG3 LYS 13 HG3 LYS 13 -16.882 -27.134 -8.431 102 HD2 LYS 13 HD2 LYS 13 -15.299 -26.021 -9.970 103 HD3 LYS 13 HD3 LYS 13 -14.357 -27.512 -10.097 104 HE2 LYS 13 HE2 LYS 13 -15.827 -27.187 -12.055 105 HE3 LYS 13 HE3 LYS 13 -16.261 -28.645 -11.160 106 HZ1 LYS 13 HZ1 LYS 13 -17.652 -26.032 -10.885 107 HZ2 LYS 13 HZ2 LYS 13 -18.115 -27.501 -10.183 108 HZ3 LYS 13 HZ3 LYS 13 -18.178 -27.302 -11.861 109 H ARG 14 H ARG 14 -16.340 -25.021 -5.148 110 HA ARG 14 HA ARG 14 -16.258 -24.688 -2.927 111 HB2 ARG 14 HB2 ARG 14 -14.103 -26.813 -3.123 112 HB3 ARG 14 HB3 ARG 14 -14.815 -26.282 -1.598 113 HG2 ARG 14 HG2 ARG 14 -17.023 -27.074 -2.312 114 HG3 ARG 14 HG3 ARG 14 -16.380 -27.519 -3.895 115 HD2 ARG 14 HD2 ARG 14 -14.947 -29.230 -2.858 116 HD3 ARG 14 HD3 ARG 14 -15.512 -28.752 -1.254 117 HE ARG 14 HE ARG 14 -17.509 -29.843 -1.622 118 HH11 ARG 14 HH11 ARG 14 -15.715 -29.896 -4.592 119 HH12 ARG 14 HH12 ARG 14 -16.790 -31.023 -5.336 120 HH21 ARG 14 HH21 ARG 14 -18.854 -31.261 -2.596 121 HH22 ARG 14 HH22 ARG 14 -18.544 -31.788 -4.214 122 H THR 15 H THR 15 -15.638 -22.529 -3.053 123 HA THR 15 HA THR 15 -12.946 -21.899 -2.025 124 HB THR 15 HB THR 15 -12.752 -21.474 -4.409 125 HG1 THR 15 HG1 THR 15 -11.897 -19.523 -4.174 126 HG21 THR 15 HG21 THR 15 -14.189 -19.856 -5.611 127 HG22 THR 15 HG22 THR 15 -15.212 -19.711 -4.182 128 HG23 THR 15 HG23 THR 15 -15.116 -21.250 -5.041 129 H ASN 16 H ASN 16 -12.945 -20.402 -0.434 130 HA ASN 16 HA ASN 16 -15.437 -19.147 0.469 131 HB2 ASN 16 HB2 ASN 16 -12.631 -18.920 1.665 132 HB3 ASN 16 HB3 ASN 16 -14.147 -18.455 2.440 133 HD21 ASN 16 HD21 ASN 16 -12.107 -21.121 1.500 134 HD22 ASN 16 HD22 ASN 16 -12.927 -22.331 2.416 135 H GLU 17 H GLU 17 -12.164 -18.141 -0.498 136 HA GLU 17 HA GLU 17 -13.191 -15.594 -1.572 137 HB2 GLU 17 HB2 GLU 17 -12.081 -15.070 0.549 138 HB3 GLU 17 HB3 GLU 17 -10.657 -15.989 0.073 139 HG2 GLU 17 HG2 GLU 17 -10.234 -14.377 -1.756 140 HG3 GLU 17 HG3 GLU 17 -11.655 -13.461 -1.265 141 HA PRO 18 HA PRO 18 -10.759 -17.177 -5.218 142 HB2 PRO 18 HB2 PRO 18 -12.580 -15.088 -6.395 143 HB3 PRO 18 HB3 PRO 18 -12.153 -16.690 -7.016 144 HG2 PRO 18 HG2 PRO 18 -14.564 -16.202 -5.921 145 HG3 PRO 18 HG3 PRO 18 -13.751 -17.768 -5.715 146 HD2 PRO 18 HD2 PRO 18 -14.037 -15.504 -3.765 147 HD3 PRO 18 HD3 PRO 18 -14.050 -17.255 -3.468 148 H LEU 19 H LEU 19 -9.324 -15.782 -6.517 149 HA LEU 19 HA LEU 19 -7.963 -13.861 -4.962 150 HB2 LEU 19 HB2 LEU 19 -7.246 -15.432 -7.034 151 HB3 LEU 19 HB3 LEU 19 -7.527 -13.965 -7.946 152 HG LEU 19 HG LEU 19 -5.142 -14.339 -7.321 153 HD11 LEU 19 HD11 LEU 19 -5.854 -12.058 -7.794 154 HD12 LEU 19 HD12 LEU 19 -4.600 -12.082 -6.559 155 HD13 LEU 19 HD13 LEU 19 -6.284 -11.820 -6.099 156 HD21 LEU 19 HD21 LEU 19 -4.372 -14.055 -5.016 157 HD22 LEU 19 HD22 LEU 19 -5.489 -15.413 -5.135 158 HD23 LEU 19 HD23 LEU 19 -6.040 -13.876 -4.461 159 H ASP 20 H ASP 20 -10.426 -13.511 -7.430 160 HA ASP 20 HA ASP 20 -10.365 -10.751 -7.902 161 HB2 ASP 20 HB2 ASP 20 -11.748 -12.537 -9.108 162 HB3 ASP 20 HB3 ASP 20 -12.899 -12.439 -7.779 163 H LYS 21 H LYS 21 -12.033 -12.585 -5.304 164 HA LYS 21 HA LYS 21 -13.198 -10.336 -3.986 165 HB2 LYS 21 HB2 LYS 21 -12.516 -13.086 -2.908 166 HB3 LYS 21 HB3 LYS 21 -13.322 -11.850 -1.951 167 HG2 LYS 21 HG2 LYS 21 -15.167 -11.858 -3.702 168 HG3 LYS 21 HG3 LYS 21 -14.388 -13.294 -4.391 169 HD2 LYS 21 HD2 LYS 21 -14.593 -14.414 -2.144 170 HD3 LYS 21 HD3 LYS 21 -15.473 -13.002 -1.550 171 HE2 LYS 21 HE2 LYS 21 -17.247 -13.423 -3.212 172 HE3 LYS 21 HE3 LYS 21 -16.357 -14.825 -3.814 173 HZ1 LYS 21 HZ1 LYS 21 -17.465 -14.494 -1.081 174 HZ2 LYS 21 HZ2 LYS 21 -16.568 -15.824 -1.613 175 HZ3 LYS 21 HZ3 LYS 21 -18.079 -15.498 -2.297 176 H LYS 22 H LYS 22 -10.023 -11.977 -3.570 177 HA LYS 22 HA LYS 22 -9.107 -10.563 -1.300 178 HB2 LYS 22 HB2 LYS 22 -7.806 -12.470 -1.964 179 HB3 LYS 22 HB3 LYS 22 -7.578 -11.848 -3.598 180 HG2 LYS 22 HG2 LYS 22 -6.084 -10.102 -2.790 181 HG3 LYS 22 HG3 LYS 22 -6.399 -10.539 -1.115 182 HD2 LYS 22 HD2 LYS 22 -5.155 -12.548 -3.020 183 HD3 LYS 22 HD3 LYS 22 -4.166 -11.297 -2.265 184 HE2 LYS 22 HE2 LYS 22 -3.986 -13.285 -0.922 185 HE3 LYS 22 HE3 LYS 22 -4.944 -12.114 -0.026 186 HZ1 LYS 22 HZ1 LYS 22 -5.869 -14.319 0.134 187 HZ2 LYS 22 HZ2 LYS 22 -6.011 -14.424 -1.545 188 HZ3 LYS 22 HZ3 LYS 22 -6.940 -13.305 -0.690 189 H ARG 23 H ARG 23 -8.632 -9.826 -4.764 190 HA ARG 23 HA ARG 23 -7.216 -7.439 -4.612 191 HB2 ARG 23 HB2 ARG 23 -7.584 -8.621 -6.715 192 HB3 ARG 23 HB3 ARG 23 -9.320 -8.336 -6.620 193 HG2 ARG 23 HG2 ARG 23 -8.857 -5.862 -6.834 194 HG3 ARG 23 HG3 ARG 23 -7.154 -6.255 -7.097 195 HD2 ARG 23 HD2 ARG 23 -8.410 -5.862 -9.221 196 HD3 ARG 23 HD3 ARG 23 -7.706 -7.476 -9.131 197 HE ARG 23 HE ARG 23 -9.802 -8.346 -9.285 198 HH11 ARG 23 HH11 ARG 23 -10.240 -5.114 -8.090 199 HH12 ARG 23 HH12 ARG 23 -11.954 -5.180 -8.271 200 HH21 ARG 23 HH21 ARG 23 -11.989 -8.380 -9.495 201 HH22 ARG 23 HH22 ARG 23 -12.932 -6.999 -9.066 202 H ALA 24 H ALA 24 -10.770 -7.856 -4.713 203 HA ALA 24 HA ALA 24 -11.491 -5.134 -4.492 204 HB1 ALA 24 HB1 ALA 24 -13.075 -7.574 -3.645 205 HB2 ALA 24 HB2 ALA 24 -13.029 -6.886 -5.268 206 HB3 ALA 24 HB3 ALA 24 -13.731 -5.958 -3.943 207 H ARG 25 H ARG 25 -10.995 -7.613 -1.965 208 HA ARG 25 HA ARG 25 -11.776 -6.100 0.290 209 HB2 ARG 25 HB2 ARG 25 -11.581 -8.493 0.527 210 HB3 ARG 25 HB3 ARG 25 -9.893 -8.478 0.025 211 HG2 ARG 25 HG2 ARG 25 -9.234 -7.356 2.095 212 HG3 ARG 25 HG3 ARG 25 -10.918 -7.199 2.592 213 HD2 ARG 25 HD2 ARG 25 -9.728 -9.019 3.781 214 HD3 ARG 25 HD3 ARG 25 -11.108 -9.607 2.860 215 HE ARG 25 HE ARG 25 -9.615 -10.539 1.257 216 HH11 ARG 25 HH11 ARG 25 -7.915 -9.370 4.045 217 HH12 ARG 25 HH12 ARG 25 -6.595 -10.451 3.795 218 HH21 ARG 25 HH21 ARG 25 -7.961 -11.916 1.006 219 HH22 ARG 25 HH22 ARG 25 -6.622 -11.879 2.098 220 H LEU 26 H LEU 26 -8.593 -6.457 -1.280 221 HA LEU 26 HA LEU 26 -7.050 -5.046 0.635 222 HB2 LEU 26 HB2 LEU 26 -6.571 -5.531 -2.320 223 HB3 LEU 26 HB3 LEU 26 -5.383 -4.802 -1.248 224 HG LEU 26 HG LEU 26 -6.505 -7.614 -0.867 225 HD11 LEU 26 HD11 LEU 26 -5.207 -7.479 -2.933 226 HD12 LEU 26 HD12 LEU 26 -4.355 -8.413 -1.706 227 HD13 LEU 26 HD13 LEU 26 -3.855 -6.755 -2.056 228 HD21 LEU 26 HD21 LEU 26 -4.619 -7.851 0.723 229 HD22 LEU 26 HD22 LEU 26 -5.758 -6.605 1.228 230 HD23 LEU 26 HD23 LEU 26 -4.216 -6.143 0.493 231 H ILE 27 H ILE 27 -8.552 -3.947 -2.438 232 HA ILE 27 HA ILE 27 -7.868 -1.236 -2.347 233 HB ILE 27 HB ILE 27 -10.465 -2.452 -3.389 234 HG12 ILE 27 HG12 ILE 27 -7.921 -1.746 -4.923 235 HG13 ILE 27 HG13 ILE 27 -8.371 -3.374 -4.439 236 HG21 ILE 27 HG21 ILE 27 -10.725 -0.014 -3.079 237 HG22 ILE 27 HG22 ILE 27 -10.686 -0.416 -4.794 238 HG23 ILE 27 HG23 ILE 27 -9.258 0.276 -4.019 239 HD11 ILE 27 HD11 ILE 27 -9.882 -1.624 -6.379 240 HD12 ILE 27 HD12 ILE 27 -10.336 -3.263 -5.898 241 HD13 ILE 27 HD13 ILE 27 -8.835 -2.987 -6.780 242 H TYR 28 H TYR 28 -10.648 -2.895 -0.813 243 HA TYR 28 HA TYR 28 -11.831 -0.687 0.483 244 HB2 TYR 28 HB2 TYR 28 -13.064 -2.748 0.338 245 HB3 TYR 28 HB3 TYR 28 -11.795 -3.649 1.158 246 HD1 TYR 28 HD2 TYR 28 -14.106 -0.724 1.832 247 HD2 TYR 28 HD1 TYR 28 -12.152 -4.187 3.427 248 HE1 TYR 28 HE2 TYR 28 -15.246 -0.387 3.992 249 HE2 TYR 28 HE1 TYR 28 -13.284 -3.836 5.572 250 HH TYR 28 HH TYR 28 -15.894 -1.693 5.968 251 H GLN 29 H GLN 29 -9.273 -2.916 1.668 252 HA GLN 29 HA GLN 29 -9.015 -1.731 4.277 253 HB2 GLN 29 HB2 GLN 29 -7.073 -3.539 2.792 254 HB3 GLN 29 HB3 GLN 29 -6.988 -3.141 4.507 255 HG2 GLN 29 HG2 GLN 29 -9.158 -4.283 4.862 256 HG3 GLN 29 HG3 GLN 29 -9.204 -4.717 3.154 257 HE21 GLN 29 HE21 GLN 29 -7.578 -6.216 2.355 258 HE22 GLN 29 HE22 GLN 29 -6.778 -7.300 3.439 259 H SER 30 H SER 30 -7.769 -0.887 1.201 260 HA SER 30 HA SER 30 -5.566 0.779 2.053 261 HB2 SER 30 HB2 SER 30 -7.117 0.739 -0.568 262 HB3 SER 30 HB3 SER 30 -5.567 1.544 -0.298 263 HG SER 30 HG SER 30 -6.093 -1.059 -0.828 264 H ARG 31 H ARG 31 -8.947 1.265 1.132 265 HA ARG 31 HA ARG 31 -8.965 4.121 1.646 266 HB2 ARG 31 HB2 ARG 31 -11.335 2.243 1.247 267 HB3 ARG 31 HB3 ARG 31 -11.338 4.001 1.083 268 HG2 ARG 31 HG2 ARG 31 -9.678 3.707 -0.831 269 HG3 ARG 31 HG3 ARG 31 -9.973 1.977 -0.718 270 HD2 ARG 31 HD2 ARG 31 -11.361 2.771 -2.479 271 HD3 ARG 31 HD3 ARG 31 -12.439 2.488 -1.105 272 HE ARG 31 HE ARG 31 -11.442 5.199 -1.328 273 HH11 ARG 31 HH11 ARG 31 -14.043 3.073 -2.173 274 HH12 ARG 31 HH12 ARG 31 -15.093 4.375 -2.595 275 HH21 ARG 31 HH21 ARG 31 -12.808 6.833 -1.875 276 HH22 ARG 31 HH22 ARG 31 -14.407 6.474 -2.424 277 H LYS 32 H LYS 32 -9.311 1.261 3.524 278 HA LYS 32 HA LYS 32 -10.528 2.545 5.850 279 HB2 LYS 32 HB2 LYS 32 -10.572 -0.032 5.064 280 HB3 LYS 32 HB3 LYS 32 -9.043 -0.113 5.913 281 HG2 LYS 32 HG2 LYS 32 -10.566 -0.839 7.521 282 HG3 LYS 32 HG3 LYS 32 -10.361 0.868 7.942 283 HD2 LYS 32 HD2 LYS 32 -12.459 1.417 6.742 284 HD3 LYS 32 HD3 LYS 32 -12.639 -0.282 6.275 285 HE2 LYS 32 HE2 LYS 32 -12.813 -0.887 8.691 286 HE3 LYS 32 HE3 LYS 32 -12.724 0.829 9.105 287 HZ1 LYS 32 HZ1 LYS 32 -14.839 -0.506 7.509 288 HZ2 LYS 32 HZ2 LYS 32 -14.743 1.163 7.769 289 HZ3 LYS 32 HZ3 LYS 32 -14.989 0.118 9.073 290 H ARG 33 H ARG 33 -9.217 3.982 6.990 291 HA ARG 33 HA ARG 33 -6.426 3.350 7.559 292 HB2 ARG 33 HB2 ARG 33 -6.923 4.694 5.173 293 HB3 ARG 33 HB3 ARG 33 -6.651 6.037 6.264 294 HG2 ARG 33 HG2 ARG 33 -4.593 5.484 5.145 295 HG3 ARG 33 HG3 ARG 33 -4.429 5.089 6.854 296 HD2 ARG 33 HD2 ARG 33 -5.303 2.864 5.034 297 HD3 ARG 33 HD3 ARG 33 -3.637 3.415 4.866 298 HE ARG 33 HE ARG 33 -3.798 3.039 7.509 299 HH11 ARG 33 HH11 ARG 33 -4.938 0.915 5.033 300 HH12 ARG 33 HH12 ARG 33 -4.440 -0.497 5.890 301 HH21 ARG 33 HH21 ARG 33 -3.167 1.218 8.567 302 HH22 ARG 33 HH22 ARG 33 -3.461 -0.331 7.859 303 H GLY 34 H GLY 34 -5.522 4.569 9.221 304 HA2 GLY 34 HA2 GLY 34 -7.241 5.856 11.112 305 HA3 GLY 34 HA3 GLY 34 -5.496 5.714 11.204 306 H ILE 35 H ILE 35 -4.730 7.113 8.879 307 HA ILE 35 HA ILE 35 -5.677 9.882 9.435 308 HB ILE 35 HB ILE 35 -3.474 10.737 8.780 309 HG12 ILE 35 HG12 ILE 35 -2.595 7.824 8.476 310 HG13 ILE 35 HG13 ILE 35 -2.877 8.932 7.139 311 HG21 ILE 35 HG21 ILE 35 -2.136 9.923 10.698 312 HG22 ILE 35 HG22 ILE 35 -3.250 8.571 10.901 313 HG23 ILE 35 HG23 ILE 35 -3.815 10.224 11.151 314 HD11 ILE 35 HD11 ILE 35 -1.035 10.339 7.941 315 HD12 ILE 35 HD12 ILE 35 -0.529 8.694 7.565 316 HD13 ILE 35 HD13 ILE 35 -0.740 9.183 9.243 317 H LEU 36 H LEU 36 -5.766 11.356 7.690 318 HA LEU 36 HA LEU 36 -6.785 10.287 5.229 319 HB2 LEU 36 HB2 LEU 36 -6.341 13.130 6.195 320 HB3 LEU 36 HB3 LEU 36 -6.949 12.782 4.588 321 HG LEU 36 HG LEU 36 -8.833 13.333 5.951 322 HD11 LEU 36 HD11 LEU 36 -10.237 11.342 5.789 323 HD12 LEU 36 HD12 LEU 36 -8.806 10.327 5.584 324 HD13 LEU 36 HD13 LEU 36 -9.219 11.534 4.364 325 HD21 LEU 36 HD21 LEU 36 -7.956 11.240 7.969 326 HD22 LEU 36 HD22 LEU 36 -9.451 12.180 8.035 327 HD23 LEU 36 HD23 LEU 36 -7.895 12.992 8.177 328 H GLU 37 H GLU 37 -3.653 11.453 6.194 329 HA GLU 37 HA GLU 37 -2.587 12.163 3.667 330 HB2 GLU 37 HB2 GLU 37 -1.140 11.092 6.122 331 HB3 GLU 37 HB3 GLU 37 -0.358 11.862 4.746 332 HG2 GLU 37 HG2 GLU 37 -2.287 13.174 6.694 333 HG3 GLU 37 HG3 GLU 37 -0.543 13.419 6.610 334 H THR 38 H THR 38 -2.231 9.135 5.506 335 HA THR 38 HA THR 38 -1.068 7.611 3.379 336 HB THR 38 HB THR 38 -2.353 6.627 5.960 337 HG1 THR 38 HG1 THR 38 0.328 6.586 5.931 338 HG21 THR 38 HG21 THR 38 -2.042 4.775 4.349 339 HG22 THR 38 HG22 THR 38 -0.895 4.639 5.684 340 HG23 THR 38 HG23 THR 38 -0.355 5.250 4.120 341 H ASP 39 H ASP 39 -4.349 8.191 4.495 342 HA ASP 39 HA ASP 39 -5.790 6.143 3.278 343 HB2 ASP 39 HB2 ASP 39 -6.786 7.743 4.854 344 HB3 ASP 39 HB3 ASP 39 -6.592 9.052 3.692 345 H LEU 40 H LEU 40 -5.216 9.418 1.890 346 HA LEU 40 HA LEU 40 -6.286 8.825 -0.685 347 HB2 LEU 40 HB2 LEU 40 -4.374 11.054 0.114 348 HB3 LEU 40 HB3 LEU 40 -5.339 11.011 -1.358 349 HG LEU 40 HG LEU 40 -6.403 11.251 1.492 350 HD11 LEU 40 HD11 LEU 40 -5.401 13.326 0.673 351 HD12 LEU 40 HD12 LEU 40 -7.148 13.484 0.843 352 HD13 LEU 40 HD13 LEU 40 -6.434 13.283 -0.761 353 HD21 LEU 40 HD21 LEU 40 -8.647 11.499 0.487 354 HD22 LEU 40 HD22 LEU 40 -7.961 9.908 0.184 355 HD23 LEU 40 HD23 LEU 40 -7.980 11.116 -1.104 356 H LEU 41 H LEU 41 -3.088 8.486 0.678 357 HA LEU 41 HA LEU 41 -1.541 8.077 -1.662 358 HB2 LEU 41 HB2 LEU 41 -0.540 8.529 0.522 359 HB3 LEU 41 HB3 LEU 41 -1.210 7.045 1.175 360 HG LEU 41 HG LEU 41 0.289 5.733 -0.370 361 HD11 LEU 41 HD11 LEU 41 2.173 6.840 -1.480 362 HD12 LEU 41 HD12 LEU 41 1.545 8.421 -1.008 363 HD13 LEU 41 HD13 LEU 41 0.631 7.405 -2.128 364 HD21 LEU 41 HD21 LEU 41 1.711 7.629 1.532 365 HD22 LEU 41 HD22 LEU 41 2.349 6.093 0.930 366 HD23 LEU 41 HD23 LEU 41 0.924 6.106 1.968 367 H LEU 42 H LEU 42 -2.909 5.618 0.574 368 HA LEU 42 HA LEU 42 -2.240 3.401 -1.131 369 HB2 LEU 42 HB2 LEU 42 -3.830 3.549 1.453 370 HB3 LEU 42 HB3 LEU 42 -3.481 2.041 0.617 371 HG LEU 42 HG LEU 42 -1.421 3.926 1.844 372 HD11 LEU 42 HD11 LEU 42 -0.973 2.098 3.414 373 HD12 LEU 42 HD12 LEU 42 -2.266 1.136 2.693 374 HD13 LEU 42 HD13 LEU 42 -2.644 2.646 3.527 375 HD21 LEU 42 HD21 LEU 42 0.268 2.226 1.242 376 HD22 LEU 42 HD22 LEU 42 -0.495 2.922 -0.183 377 HD23 LEU 42 HD23 LEU 42 -0.960 1.308 0.365 378 H SER 43 H SER 43 -5.224 5.222 -0.532 379 HA SER 43 HA SER 43 -7.086 3.442 -1.723 380 HB2 SER 43 HB2 SER 43 -7.828 5.364 -0.360 381 HB3 SER 43 HB3 SER 43 -7.209 6.487 -1.566 382 HG SER 43 HG SER 43 -8.801 5.848 -2.968 383 H GLY 44 H GLY 44 -5.300 6.211 -3.096 384 HA2 GLY 44 HA2 GLY 44 -6.109 5.900 -5.806 385 HA3 GLY 44 HA3 GLY 44 -4.688 6.767 -5.241 386 H PHE 45 H PHE 45 -3.323 4.652 -3.986 387 HA PHE 45 HA PHE 45 -1.880 3.441 -6.081 388 HB2 PHE 45 HB2 PHE 45 -0.977 3.883 -3.796 389 HB3 PHE 45 HB3 PHE 45 -2.013 2.624 -3.138 390 HD1 PHE 45 HD1 PHE 45 1.014 3.305 -5.144 391 HD2 PHE 45 HD2 PHE 45 -1.457 0.248 -3.468 392 HE1 PHE 45 HE1 PHE 45 2.765 1.640 -5.559 393 HE2 PHE 45 HE2 PHE 45 0.311 -1.404 -3.886 394 HZ PHE 45 HZ PHE 45 2.426 -0.709 -4.934 395 H ALA 46 H ALA 46 -4.478 2.196 -4.026 396 HA ALA 46 HA ALA 46 -4.342 -0.509 -4.905 397 HB1 ALA 46 HB1 ALA 46 -6.612 0.920 -3.509 398 HB2 ALA 46 HB2 ALA 46 -5.257 0.110 -2.719 399 HB3 ALA 46 HB3 ALA 46 -6.416 -0.831 -3.660 400 H ALA 47 H ALA 47 -6.355 2.244 -5.828 401 HA ALA 47 HA ALA 47 -8.094 0.868 -7.629 402 HB1 ALA 47 HB1 ALA 47 -8.764 3.131 -8.340 403 HB2 ALA 47 HB2 ALA 47 -7.380 3.817 -7.479 404 HB3 ALA 47 HB3 ALA 47 -8.670 3.015 -6.583 405 H LYS 48 H LYS 48 -4.894 2.186 -7.969 406 HA LYS 48 HA LYS 48 -4.915 2.238 -10.899 407 HB2 LYS 48 HB2 LYS 48 -3.883 4.040 -9.474 408 HB3 LYS 48 HB3 LYS 48 -2.659 2.877 -8.972 409 HG2 LYS 48 HG2 LYS 48 -1.827 2.701 -11.273 410 HG3 LYS 48 HG3 LYS 48 -3.135 3.749 -11.846 411 HD2 LYS 48 HD2 LYS 48 -2.226 5.555 -10.309 412 HD3 LYS 48 HD3 LYS 48 -0.841 4.506 -10.004 413 HE2 LYS 48 HE2 LYS 48 -1.657 5.501 -12.744 414 HE3 LYS 48 HE3 LYS 48 -0.441 6.271 -11.719 415 HZ1 LYS 48 HZ1 LYS 48 -0.288 3.471 -12.715 416 HZ2 LYS 48 HZ2 LYS 48 0.897 4.289 -11.827 417 HZ3 LYS 48 HZ3 LYS 48 0.526 4.787 -13.396 418 H TYR 49 H TYR 49 -3.044 0.573 -8.332 419 HA TYR 49 HA TYR 49 -1.372 -0.829 -10.227 420 HB2 TYR 49 HB2 TYR 49 -1.374 -0.607 -7.205 421 HB3 TYR 49 HB3 TYR 49 -0.314 -1.745 -8.036 422 HD1 TYR 49 HD1 TYR 49 -1.244 1.914 -8.128 423 HD2 TYR 49 HD2 TYR 49 1.816 -1.016 -8.667 424 HE1 TYR 49 HE1 TYR 49 0.400 3.703 -8.511 425 HE2 TYR 49 HE2 TYR 49 3.455 0.770 -9.056 426 HH TYR 49 HH TYR 49 3.578 3.065 -9.685 427 H LEU 50 H LEU 50 -3.775 -1.873 -7.750 428 HA LEU 50 HA LEU 50 -3.393 -4.648 -7.946 429 HB2 LEU 50 HB2 LEU 50 -5.758 -3.005 -7.095 430 HB3 LEU 50 HB3 LEU 50 -5.979 -4.734 -7.305 431 HG LEU 50 HG LEU 50 -4.026 -5.057 -5.688 432 HD11 LEU 50 HD11 LEU 50 -3.477 -3.304 -4.137 433 HD12 LEU 50 HD12 LEU 50 -4.548 -2.185 -4.980 434 HD13 LEU 50 HD13 LEU 50 -3.097 -2.791 -5.783 435 HD21 LEU 50 HD21 LEU 50 -6.523 -3.775 -4.579 436 HD22 LEU 50 HD22 LEU 50 -5.406 -4.833 -3.715 437 HD23 LEU 50 HD23 LEU 50 -6.353 -5.466 -5.054 438 H LYS 51 H LYS 51 -4.908 -2.608 -10.244 439 HA LYS 51 HA LYS 51 -6.532 -4.292 -11.745 440 HB2 LYS 51 HB2 LYS 51 -4.653 -2.111 -12.721 441 HB3 LYS 51 HB3 LYS 51 -6.002 -2.772 -13.643 442 HG2 LYS 51 HG2 LYS 51 -6.259 -1.272 -11.013 443 HG3 LYS 51 HG3 LYS 51 -6.469 -0.552 -12.613 444 HD2 LYS 51 HD2 LYS 51 -8.386 -2.091 -13.032 445 HD3 LYS 51 HD3 LYS 51 -8.185 -2.776 -11.414 446 HE2 LYS 51 HE2 LYS 51 -8.690 -0.578 -10.414 447 HE3 LYS 51 HE3 LYS 51 -8.832 0.134 -12.022 448 HZ1 LYS 51 HZ1 LYS 51 -10.715 -1.282 -12.453 449 HZ2 LYS 51 HZ2 LYS 51 -10.969 -0.369 -11.054 450 HZ3 LYS 51 HZ3 LYS 51 -10.561 -2.003 -10.933 451 H LYS 52 H LYS 52 -2.954 -3.938 -11.909 452 HA LYS 52 HA LYS 52 -2.783 -6.224 -13.813 453 HB2 LYS 52 HB2 LYS 52 -0.770 -3.954 -13.415 454 HB3 LYS 52 HB3 LYS 52 -0.558 -5.317 -14.500 455 HG2 LYS 52 HG2 LYS 52 -1.238 -3.651 -15.974 456 HG3 LYS 52 HG3 LYS 52 -2.760 -4.474 -15.638 457 HD2 LYS 52 HD2 LYS 52 -3.166 -2.091 -15.574 458 HD3 LYS 52 HD3 LYS 52 -3.277 -2.701 -13.925 459 HE2 LYS 52 HE2 LYS 52 -0.972 -1.882 -13.483 460 HE3 LYS 52 HE3 LYS 52 -0.889 -1.246 -15.127 461 HZ1 LYS 52 HZ1 LYS 52 -2.807 -0.400 -13.029 462 HZ2 LYS 52 HZ2 LYS 52 -2.749 0.213 -14.601 463 HZ3 LYS 52 HZ3 LYS 52 -1.454 0.470 -13.545 464 H MET 53 H MET 53 -1.898 -5.211 -10.597 465 HA MET 53 HA MET 53 0.612 -6.535 -10.384 466 HB2 MET 53 HB2 MET 53 0.070 -4.533 -9.091 467 HB3 MET 53 HB3 MET 53 -1.266 -5.356 -8.295 468 HG2 MET 53 HG2 MET 53 0.169 -6.668 -7.005 469 HG3 MET 53 HG3 MET 53 1.542 -6.368 -8.060 470 HE1 MET 53 HE1 MET 53 -0.896 -4.663 -5.421 471 HE2 MET 53 HE2 MET 53 -0.909 -3.520 -6.772 472 HE3 MET 53 HE3 MET 53 -0.130 -3.080 -5.251 473 H ASN 54 H ASN 54 1.137 -8.507 -9.560 474 HA ASN 54 HA ASN 54 -0.760 -10.605 -9.949 475 HB2 ASN 54 HB2 ASN 54 2.174 -10.551 -9.191 476 HB3 ASN 54 HB3 ASN 54 1.278 -12.069 -9.197 477 HD21 ASN 54 HD21 ASN 54 0.620 -12.948 -11.138 478 HD22 ASN 54 HD22 ASN 54 1.240 -12.404 -12.649 479 H GLU 55 H GLU 55 -1.085 -12.395 -8.591 480 HA GLU 55 HA GLU 55 -2.502 -11.998 -6.281 481 HB2 GLU 55 HB2 GLU 55 -1.023 -14.639 -6.604 482 HB3 GLU 55 HB3 GLU 55 -2.665 -14.341 -6.061 483 HG2 GLU 55 HG2 GLU 55 -2.963 -15.375 -8.125 484 HG3 GLU 55 HG3 GLU 55 -3.156 -13.671 -8.513 485 H GLU 56 H GLU 56 0.777 -13.235 -6.517 486 HA GLU 56 HA GLU 56 1.348 -13.502 -3.763 487 HB2 GLU 56 HB2 GLU 56 3.728 -13.739 -4.585 488 HB3 GLU 56 HB3 GLU 56 2.557 -14.817 -5.330 489 HG2 GLU 56 HG2 GLU 56 2.484 -13.331 -7.346 490 HG3 GLU 56 HG3 GLU 56 3.704 -12.297 -6.594 491 H GLU 57 H GLU 57 1.948 -10.825 -6.024 492 HA GLU 57 HA GLU 57 3.407 -9.148 -4.220 493 HB2 GLU 57 HB2 GLU 57 1.788 -8.331 -6.664 494 HB3 GLU 57 HB3 GLU 57 3.027 -7.361 -5.868 495 HG2 GLU 57 HG2 GLU 57 4.721 -9.081 -6.513 496 HG3 GLU 57 HG3 GLU 57 3.462 -9.961 -7.384 497 H LEU 58 H LEU 58 -0.012 -9.601 -4.916 498 HA LEU 58 HA LEU 58 -1.123 -7.398 -3.535 499 HB2 LEU 58 HB2 LEU 58 -2.321 -10.134 -4.099 500 HB3 LEU 58 HB3 LEU 58 -3.231 -8.766 -3.497 501 HG LEU 58 HG LEU 58 -1.980 -9.077 -6.239 502 HD11 LEU 58 HD11 LEU 58 -4.146 -10.160 -5.963 503 HD12 LEU 58 HD12 LEU 58 -4.260 -8.788 -7.063 504 HD13 LEU 58 HD13 LEU 58 -4.857 -8.641 -5.406 505 HD21 LEU 58 HD21 LEU 58 -2.775 -6.811 -6.778 506 HD22 LEU 58 HD22 LEU 58 -1.518 -6.799 -5.545 507 HD23 LEU 58 HD23 LEU 58 -3.207 -6.565 -5.084 508 H GLU 59 H GLU 59 -0.079 -10.571 -2.404 509 HA GLU 59 HA GLU 59 -1.185 -10.342 0.248 510 HB2 GLU 59 HB2 GLU 59 0.955 -12.197 -0.872 511 HB3 GLU 59 HB3 GLU 59 0.199 -12.370 0.713 512 HG2 GLU 59 HG2 GLU 59 -2.014 -12.629 -0.421 513 HG3 GLU 59 HG3 GLU 59 -1.194 -12.564 -1.980 514 H GLU 60 H GLU 60 1.931 -9.488 -1.233 515 HA GLU 60 HA GLU 60 3.223 -8.630 1.172 516 HB2 GLU 60 HB2 GLU 60 4.515 -9.007 -0.913 517 HB3 GLU 60 HB3 GLU 60 3.664 -7.679 -1.694 518 HG2 GLU 60 HG2 GLU 60 4.712 -6.056 -0.234 519 HG3 GLU 60 HG3 GLU 60 5.407 -7.329 0.767 520 H TYR 61 H TYR 61 0.984 -7.073 -1.117 521 HA TYR 61 HA TYR 61 1.019 -4.480 0.019 522 HB2 TYR 61 HB2 TYR 61 0.087 -5.029 -2.246 523 HB3 TYR 61 HB3 TYR 61 -1.312 -5.759 -1.459 524 HD1 TYR 61 HD2 TYR 61 0.587 -2.586 -0.792 525 HD2 TYR 61 HD1 TYR 61 -3.181 -4.321 -1.821 526 HE1 TYR 61 HE2 TYR 61 -0.432 -0.372 -0.730 527 HE2 TYR 61 HE1 TYR 61 -4.213 -2.091 -1.752 528 HH TYR 61 HH TYR 61 -3.683 0.188 -0.658 529 H ASP 62 H ASP 62 -0.973 -7.330 0.752 530 HA ASP 62 HA ASP 62 -2.736 -6.231 2.642 531 HB2 ASP 62 HB2 ASP 62 -2.899 -8.525 1.645 532 HB3 ASP 62 HB3 ASP 62 -1.533 -9.040 2.628 533 H SER 63 H SER 63 0.543 -7.534 3.049 534 HA SER 63 HA SER 63 0.906 -7.235 5.814 535 HB2 SER 63 HB2 SER 63 3.014 -6.840 3.650 536 HB3 SER 63 HB3 SER 63 3.324 -7.238 5.342 537 HG SER 63 HG SER 63 2.835 -8.881 3.299 538 H LEU 64 H LEU 64 1.371 -4.848 3.188 539 HA LEU 64 HA LEU 64 2.405 -2.732 4.792 540 HB2 LEU 64 HB2 LEU 64 2.694 -2.921 2.309 541 HB3 LEU 64 HB3 LEU 64 0.990 -2.549 2.112 542 HG LEU 64 HG LEU 64 1.428 -0.315 3.241 543 HD11 LEU 64 HD11 LEU 64 4.348 -1.063 2.904 544 HD12 LEU 64 HD12 LEU 64 3.489 -0.849 4.432 545 HD13 LEU 64 HD13 LEU 64 3.733 0.529 3.364 546 HD21 LEU 64 HD21 LEU 64 1.201 -0.453 0.807 547 HD22 LEU 64 HD22 LEU 64 2.923 -0.801 0.643 548 HD23 LEU 64 HD23 LEU 64 2.392 0.768 1.254 549 H LEU 65 H LEU 65 -0.871 -3.649 3.807 550 HA LEU 65 HA LEU 65 -2.243 -1.349 4.816 551 HB2 LEU 65 HB2 LEU 65 -3.280 -4.161 4.290 552 HB3 LEU 65 HB3 LEU 65 -4.291 -2.745 4.562 553 HG LEU 65 HG LEU 65 -2.393 -3.114 2.204 554 HD11 LEU 65 HD11 LEU 65 -5.414 -3.258 2.236 555 HD12 LEU 65 HD12 LEU 65 -4.311 -4.624 2.064 556 HD13 LEU 65 HD13 LEU 65 -4.369 -3.381 0.818 557 HD21 LEU 65 HD21 LEU 65 -4.368 -0.883 2.776 558 HD22 LEU 65 HD22 LEU 65 -3.459 -1.093 1.277 559 HD23 LEU 65 HD23 LEU 65 -2.604 -0.760 2.779 560 H ASN 66 H ASN 66 -0.930 -4.162 6.340 561 HA ASN 66 HA ASN 66 -2.320 -3.715 8.891 562 HB2 ASN 66 HB2 ASN 66 -0.304 -5.840 8.044 563 HB3 ASN 66 HB3 ASN 66 -1.110 -5.787 9.613 564 HD21 ASN 66 HD21 ASN 66 -1.193 -7.786 7.386 565 HD22 ASN 66 HD22 ASN 66 -2.867 -7.985 7.025 566 H GLU 67 H GLU 67 0.371 -2.390 7.393 567 HA GLU 67 HA GLU 67 2.080 -2.023 9.717 568 HB2 GLU 67 HB2 GLU 67 2.040 -0.623 7.000 569 HB3 GLU 67 HB3 GLU 67 3.250 -0.321 8.242 570 HG2 GLU 67 HG2 GLU 67 2.785 -2.987 6.875 571 HG3 GLU 67 HG3 GLU 67 4.027 -1.824 6.423 572 H LEU 68 H LEU 68 2.664 0.289 10.385 573 HA LEU 68 HA LEU 68 0.324 1.628 11.377 574 HB2 LEU 68 HB2 LEU 68 3.262 2.370 11.597 575 HB3 LEU 68 HB3 LEU 68 1.962 3.277 12.352 576 HG LEU 68 HG LEU 68 1.369 1.039 13.560 577 HD11 LEU 68 HD11 LEU 68 4.223 0.372 12.781 578 HD12 LEU 68 HD12 LEU 68 2.771 -0.481 12.249 579 HD13 LEU 68 HD13 LEU 68 3.235 -0.509 13.949 580 HD21 LEU 68 HD21 LEU 68 3.897 2.536 14.308 581 HD22 LEU 68 HD22 LEU 68 2.914 1.547 15.392 582 HD23 LEU 68 HD23 LEU 68 2.244 3.022 14.695 583 H ASP 69 H ASP 69 -0.463 3.622 10.899 584 HA ASP 69 HA ASP 69 -0.758 4.295 8.231 585 HB2 ASP 69 HB2 ASP 69 -1.244 6.005 10.704 586 HB3 ASP 69 HB3 ASP 69 -1.818 6.431 9.091 587 H TRP 70 H TRP 70 0.853 6.534 10.551 588 HA TRP 70 HA TRP 70 1.791 8.367 8.674 589 HB2 TRP 70 HB2 TRP 70 2.846 7.707 11.448 590 HB3 TRP 70 HB3 TRP 70 3.471 9.042 10.491 591 HD1 TRP 70 HD1 TRP 70 0.713 8.231 12.904 592 HE1 TRP 70 HE1 TRP 70 -0.855 10.252 13.132 593 HE3 TRP 70 HE3 TRP 70 2.370 11.033 8.928 594 HZ2 TRP 70 HZ2 TRP 70 -1.348 12.690 11.816 595 HZ3 TRP 70 HZ3 TRP 70 1.279 13.200 8.479 596 HH2 TRP 70 HH2 TRP 70 -0.544 14.009 9.899 597 H ASP 71 H ASP 71 3.362 5.399 9.812 598 HA ASP 71 HA ASP 71 5.976 5.843 8.835 599 HB2 ASP 71 HB2 ASP 71 4.439 3.265 9.379 600 HB3 ASP 71 HB3 ASP 71 6.163 3.309 8.999 601 H ILE 72 H ILE 72 3.238 4.056 7.337 602 HA ILE 72 HA ILE 72 4.363 3.275 4.896 603 HB ILE 72 HB ILE 72 1.504 4.257 5.343 604 HG12 ILE 72 HG12 ILE 72 2.476 1.369 5.511 605 HG13 ILE 72 HG13 ILE 72 2.276 2.402 6.921 606 HG21 ILE 72 HG21 ILE 72 2.573 2.411 3.172 607 HG22 ILE 72 HG22 ILE 72 2.017 4.069 2.944 608 HG23 ILE 72 HG23 ILE 72 0.874 2.817 3.427 609 HD11 ILE 72 HD11 ILE 72 0.380 0.917 6.628 610 HD12 ILE 72 HD12 ILE 72 0.078 1.579 5.021 611 HD13 ILE 72 HD13 ILE 72 -0.117 2.600 6.450 612 H TYR 73 H TYR 73 2.822 6.339 5.774 613 HA TYR 73 HA TYR 73 2.893 7.627 3.258 614 HB2 TYR 73 HB2 TYR 73 1.402 8.295 5.120 615 HB3 TYR 73 HB3 TYR 73 2.795 8.827 6.053 616 HD1 TYR 73 HD2 TYR 73 1.138 9.449 2.725 617 HD2 TYR 73 HD1 TYR 73 3.356 11.130 5.978 618 HE1 TYR 73 HE2 TYR 73 0.920 11.682 1.723 619 HE2 TYR 73 HE1 TYR 73 3.133 13.362 4.975 620 HH TYR 73 HH TYR 73 0.959 14.069 2.518 621 H TYR 74 H TYR 74 5.131 7.742 6.041 622 HA TYR 74 HA TYR 74 6.824 9.781 4.961 623 HB2 TYR 74 HB2 TYR 74 7.241 7.835 7.255 624 HB3 TYR 74 HB3 TYR 74 8.386 9.106 6.845 625 HD1 TYR 74 HD1 TYR 74 6.401 11.354 6.213 626 HD2 TYR 74 HD2 TYR 74 6.550 8.551 9.436 627 HE1 TYR 74 HE1 TYR 74 5.234 12.957 7.669 628 HE2 TYR 74 HE2 TYR 74 5.380 10.148 10.885 629 HH TYR 74 HH TYR 74 4.991 12.553 11.057 630 H TRP 75 H TRP 75 6.984 6.230 4.869 631 HA TRP 75 HA TRP 75 9.581 6.007 3.703 632 HB2 TRP 75 HB2 TRP 75 7.221 4.107 3.395 633 HB3 TRP 75 HB3 TRP 75 8.892 3.730 2.994 634 HD1 TRP 75 HD1 TRP 75 10.071 5.036 5.834 635 HE1 TRP 75 HE1 TRP 75 9.806 3.605 7.950 636 HE3 TRP 75 HE3 TRP 75 6.330 1.917 4.253 637 HZ2 TRP 75 HZ2 TRP 75 8.232 1.442 8.842 638 HZ3 TRP 75 HZ3 TRP 75 5.504 0.185 5.800 639 HH2 TRP 75 HH2 TRP 75 6.439 -0.045 8.048 640 H ALA 76 H ALA 76 6.339 6.375 2.337 641 HA ALA 76 HA ALA 76 7.055 6.166 -0.426 642 HB1 ALA 76 HB1 ALA 76 4.779 5.739 0.416 643 HB2 ALA 76 HB2 ALA 76 4.773 6.977 -0.840 644 HB3 ALA 76 HB3 ALA 76 4.614 7.440 0.857 645 H THR 77 H THR 77 6.857 8.865 1.854 646 HA THR 77 HA THR 77 7.367 10.879 -0.241 647 HB THR 77 HB THR 77 6.844 12.586 1.490 648 HG1 THR 77 HG1 THR 77 5.839 10.776 3.326 649 HG21 THR 77 HG21 THR 77 4.720 10.415 1.305 650 HG22 THR 77 HG22 THR 77 4.975 11.716 0.138 651 HG23 THR 77 HG23 THR 77 4.438 12.093 1.777 652 H LYS 78 H LYS 78 9.391 8.927 1.274 653 HA LYS 78 HA LYS 78 11.624 8.899 1.516 654 HB2 LYS 78 HB2 LYS 78 11.686 10.146 -0.580 655 HB3 LYS 78 HB3 LYS 78 11.400 11.662 0.258 656 HG2 LYS 78 HG2 LYS 78 13.619 11.493 1.313 657 HG3 LYS 78 HG3 LYS 78 13.909 9.977 0.458 658 HD2 LYS 78 HD2 LYS 78 14.081 11.047 -1.642 659 HD3 LYS 78 HD3 LYS 78 13.237 12.496 -1.089 660 HE2 LYS 78 HE2 LYS 78 15.660 12.894 -1.436 661 HE3 LYS 78 HE3 LYS 78 15.187 13.160 0.240 662 HZ1 LYS 78 HZ1 LYS 78 17.238 11.952 0.142 663 HZ2 LYS 78 HZ2 LYS 78 16.555 10.757 -0.840 664 HZ3 LYS 78 HZ3 LYS 78 16.036 10.932 0.757 665 H ASN 79 H ASN 79 9.729 10.494 3.561 666 HA ASN 79 HA ASN 79 11.711 12.075 5.031 667 HB2 ASN 79 HB2 ASN 79 9.358 12.897 4.617 668 HB3 ASN 79 HB3 ASN 79 8.760 11.608 5.657 669 HD21 ASN 79 HD21 ASN 79 7.830 13.255 6.962 670 HD22 ASN 79 HD22 ASN 79 8.784 14.168 8.071 671 H PHE 80 H PHE 80 12.984 10.054 5.398 672 HA PHE 80 HA PHE 80 11.985 8.007 7.184 673 HB2 PHE 80 HB2 PHE 80 14.800 8.406 6.087 674 HB3 PHE 80 HB3 PHE 80 14.212 6.966 6.916 675 HD1 PHE 80 HD1 PHE 80 12.166 5.735 5.827 676 HD2 PHE 80 HD2 PHE 80 14.652 8.510 3.719 677 HE1 PHE 80 HE1 PHE 80 11.420 4.790 3.682 678 HE2 PHE 80 HE2 PHE 80 13.891 7.562 1.579 679 HZ PHE 80 HZ PHE 80 12.277 5.697 1.561 680 H LYS 81 H LYS 81 13.454 11.041 7.702 681 HA LYS 81 HA LYS 81 15.052 10.684 9.985 682 HB2 LYS 81 HB2 LYS 81 13.218 13.030 9.309 683 HB3 LYS 81 HB3 LYS 81 14.516 13.077 10.504 684 HG2 LYS 81 HG2 LYS 81 16.190 12.734 8.763 685 HG3 LYS 81 HG3 LYS 81 14.927 12.539 7.546 686 HD2 LYS 81 HD2 LYS 81 15.438 15.091 9.134 687 HD3 LYS 81 HD3 LYS 81 16.010 14.791 7.491 688 HE2 LYS 81 HE2 LYS 81 13.638 14.572 6.737 689 HE3 LYS 81 HE3 LYS 81 13.102 14.955 8.375 690 HZ1 LYS 81 HZ1 LYS 81 13.058 16.864 6.893 691 HZ2 LYS 81 HZ2 LYS 81 14.726 16.740 6.648 692 HZ3 LYS 81 HZ3 LYS 81 14.122 17.110 8.184 693 H THR 82 H THR 82 11.567 11.175 9.736 694 HA THR 82 HA THR 82 11.108 10.936 12.613 695 HB THR 82 HB THR 82 9.706 12.574 11.664 696 HG1 THR 82 HG1 THR 82 8.259 11.628 12.906 697 HG21 THR 82 HG21 THR 82 8.867 10.612 9.505 698 HG22 THR 82 HG22 THR 82 9.974 11.971 9.285 699 HG23 THR 82 HG23 THR 82 8.279 12.268 9.694 700 H SER 83 H SER 83 10.343 9.013 9.664 701 HA SER 83 HA SER 83 10.021 6.620 11.403 702 HB2 SER 83 HB2 SER 83 8.379 7.330 8.950 703 HB3 SER 83 HB3 SER 83 8.444 5.697 9.615 704 HG SER 83 HG SER 83 7.291 6.296 11.270 705 HA PRO 84 HA PRO 84 13.677 5.692 8.728 706 HB2 PRO 84 HB2 PRO 84 14.012 3.587 10.849 707 HB3 PRO 84 HB3 PRO 84 15.193 4.736 10.205 708 HG2 PRO 84 HG2 PRO 84 14.150 5.106 12.635 709 HG3 PRO 84 HG3 PRO 84 14.419 6.493 11.557 710 HD2 PRO 84 HD2 PRO 84 11.837 5.029 12.148 711 HD3 PRO 84 HD3 PRO 84 12.147 6.781 12.046 712 H LEU 85 H LEU 85 14.110 3.948 7.308 713 HA LEU 85 HA LEU 85 11.846 2.237 6.730 714 HB2 LEU 85 HB2 LEU 85 13.128 3.431 4.935 715 HB3 LEU 85 HB3 LEU 85 14.526 2.429 5.299 716 HG LEU 85 HG LEU 85 13.214 0.396 4.665 717 HD11 LEU 85 HD11 LEU 85 10.959 1.225 5.186 718 HD12 LEU 85 HD12 LEU 85 11.051 0.608 3.542 719 HD13 LEU 85 HD13 LEU 85 11.044 2.351 3.825 720 HD21 LEU 85 HD21 LEU 85 13.312 2.502 2.479 721 HD22 LEU 85 HD22 LEU 85 13.224 0.753 2.240 722 HD23 LEU 85 HD23 LEU 85 14.653 1.469 2.984 723 HA PRO 86 HA PRO 86 13.825 -1.290 8.914 724 HB2 PRO 86 HB2 PRO 86 11.372 -2.798 8.239 725 HB3 PRO 86 HB3 PRO 86 11.992 -2.342 9.829 726 HG2 PRO 86 HG2 PRO 86 9.750 -1.225 8.768 727 HG3 PRO 86 HG3 PRO 86 10.837 -0.323 9.847 728 HD2 PRO 86 HD2 PRO 86 10.685 -0.263 6.826 729 HD3 PRO 86 HD3 PRO 86 10.807 1.095 7.973 730 H ASP 87 H ASP 87 14.569 -3.387 8.286 731 HA ASP 87 HA ASP 87 15.546 -3.646 5.660 732 HB2 ASP 87 HB2 ASP 87 15.320 -5.800 7.812 733 HB3 ASP 87 HB3 ASP 87 16.357 -5.881 6.387 734 H LYS 88 H LYS 88 12.672 -4.976 7.180 735 HA LYS 88 HA LYS 88 11.932 -6.967 5.340 736 HB2 LYS 88 HB2 LYS 88 9.655 -6.766 6.322 737 HB3 LYS 88 HB3 LYS 88 10.912 -6.816 7.550 738 HG2 LYS 88 HG2 LYS 88 10.746 -4.366 7.820 739 HG3 LYS 88 HG3 LYS 88 9.488 -4.312 6.590 740 HD2 LYS 88 HD2 LYS 88 9.191 -5.914 9.162 741 HD3 LYS 88 HD3 LYS 88 8.738 -4.215 9.051 742 HE2 LYS 88 HE2 LYS 88 6.744 -5.540 8.769 743 HE3 LYS 88 HE3 LYS 88 7.132 -4.822 7.209 744 HZ1 LYS 88 HZ1 LYS 88 6.452 -7.161 7.104 745 HZ2 LYS 88 HZ2 LYS 88 7.828 -7.595 7.987 746 HZ3 LYS 88 HZ3 LYS 88 7.988 -6.893 6.460 747 H TRP 89 H TRP 89 11.539 -3.463 5.078 748 HA TRP 89 HA TRP 89 10.007 -3.797 2.556 749 HB2 TRP 89 HB2 TRP 89 10.352 -1.310 4.283 750 HB3 TRP 89 HB3 TRP 89 9.451 -1.373 2.768 751 HD1 TRP 89 HD1 TRP 89 8.879 -1.634 6.390 752 HE1 TRP 89 HE1 TRP 89 6.598 -2.693 6.894 753 HE3 TRP 89 HE3 TRP 89 7.758 -3.498 1.742 754 HZ2 TRP 89 HZ2 TRP 89 4.594 -4.136 5.538 755 HZ3 TRP 89 HZ3 TRP 89 5.636 -4.708 1.438 756 HH2 TRP 89 HH2 TRP 89 4.083 -5.020 3.301 757 H ALA 90 H ALA 90 13.155 -3.240 3.608 758 HA ALA 90 HA ALA 90 14.181 -1.238 1.944 759 HB1 ALA 90 HB1 ALA 90 15.625 -3.722 2.932 760 HB2 ALA 90 HB2 ALA 90 15.411 -2.225 3.846 761 HB3 ALA 90 HB3 ALA 90 16.385 -2.227 2.373 762 H ASN 91 H ASN 91 13.660 -4.677 1.220 763 HA ASN 91 HA ASN 91 14.740 -4.348 -1.537 764 HB2 ASN 91 HB2 ASN 91 14.274 -6.935 0.017 765 HB3 ASN 91 HB3 ASN 91 15.130 -6.768 -1.516 766 HD21 ASN 91 HD21 ASN 91 17.232 -5.814 -1.485 767 HD22 ASN 91 HD22 ASN 91 18.144 -5.724 -0.028 768 H SER 92 H SER 92 11.823 -4.117 -0.145 769 HA SER 92 HA SER 92 10.224 -6.098 -1.480 770 HB2 SER 92 HB2 SER 92 9.453 -3.594 0.060 771 HB3 SER 92 HB3 SER 92 8.271 -4.722 -0.613 772 HG SER 92 HG SER 92 8.697 -6.092 0.917 773 H LYS 93 H LYS 93 9.448 -6.085 -3.465 774 HA LYS 93 HA LYS 93 9.726 -4.204 -5.489 775 HB2 LYS 93 HB2 LYS 93 9.150 -6.511 -5.979 776 HB3 LYS 93 HB3 LYS 93 7.660 -6.403 -5.055 777 HG2 LYS 93 HG2 LYS 93 7.109 -6.439 -7.391 778 HG3 LYS 93 HG3 LYS 93 6.751 -4.828 -6.766 779 HD2 LYS 93 HD2 LYS 93 8.918 -4.018 -7.732 780 HD3 LYS 93 HD3 LYS 93 9.185 -5.629 -8.412 781 HE2 LYS 93 HE2 LYS 93 6.881 -3.761 -9.079 782 HE3 LYS 93 HE3 LYS 93 8.269 -4.113 -10.111 783 HZ1 LYS 93 HZ1 LYS 93 6.205 -6.072 -9.247 784 HZ2 LYS 93 HZ2 LYS 93 7.531 -6.419 -10.232 785 HZ3 LYS 93 HZ3 LYS 93 6.326 -5.373 -10.782 786 H LEU 94 H LEU 94 6.933 -4.760 -3.390 787 HA LEU 94 HA LEU 94 5.046 -2.992 -4.310 788 HB2 LEU 94 HB2 LEU 94 4.675 -4.692 -2.577 789 HB3 LEU 94 HB3 LEU 94 5.684 -3.789 -1.458 790 HG LEU 94 HG LEU 94 3.969 -1.884 -1.645 791 HD11 LEU 94 HD11 LEU 94 1.723 -2.455 -2.386 792 HD12 LEU 94 HD12 LEU 94 2.266 -4.050 -2.907 793 HD13 LEU 94 HD13 LEU 94 2.872 -2.597 -3.713 794 HD21 LEU 94 HD21 LEU 94 3.088 -4.507 -0.413 795 HD22 LEU 94 HD22 LEU 94 2.459 -2.906 -0.014 796 HD23 LEU 94 HD23 LEU 94 4.141 -3.297 0.329 797 H LEU 95 H LEU 95 7.588 -2.294 -1.881 798 HA LEU 95 HA LEU 95 6.684 0.277 -1.140 799 HB2 LEU 95 HB2 LEU 95 8.286 -1.038 0.226 800 HB3 LEU 95 HB3 LEU 95 9.515 -0.826 -1.014 801 HG LEU 95 HG LEU 95 9.317 1.705 -0.633 802 HD11 LEU 95 HD11 LEU 95 7.767 0.870 1.835 803 HD12 LEU 95 HD12 LEU 95 7.133 1.771 0.453 804 HD13 LEU 95 HD13 LEU 95 8.368 2.492 1.480 805 HD21 LEU 95 HD21 LEU 95 11.198 0.409 0.228 806 HD22 LEU 95 HD22 LEU 95 10.295 0.054 1.703 807 HD23 LEU 95 HD23 LEU 95 10.754 1.716 1.326 808 H LYS 96 H LYS 96 9.044 -0.754 -3.592 809 HA LYS 96 HA LYS 96 9.876 1.852 -4.399 810 HB2 LYS 96 HB2 LYS 96 10.090 -0.879 -5.688 811 HB3 LYS 96 HB3 LYS 96 10.562 0.557 -6.585 812 HG2 LYS 96 HG2 LYS 96 12.551 -0.344 -5.620 813 HG3 LYS 96 HG3 LYS 96 12.161 1.131 -4.734 814 HD2 LYS 96 HD2 LYS 96 11.105 -0.351 -2.945 815 HD3 LYS 96 HD3 LYS 96 11.759 -1.744 -3.815 816 HE2 LYS 96 HE2 LYS 96 13.354 0.512 -2.551 817 HE3 LYS 96 HE3 LYS 96 13.242 -1.151 -1.974 818 HZ1 LYS 96 HZ1 LYS 96 14.346 -1.881 -3.990 819 HZ2 LYS 96 HZ2 LYS 96 15.297 -0.758 -3.161 820 HZ3 LYS 96 HZ3 LYS 96 14.451 -0.288 -4.548 821 H GLN 97 H GLN 97 7.295 -0.302 -5.561 822 HA GLN 97 HA GLN 97 6.196 1.274 -7.625 823 HB2 GLN 97 HB2 GLN 97 4.757 -0.546 -5.639 824 HB3 GLN 97 HB3 GLN 97 4.050 0.068 -7.125 825 HG2 GLN 97 HG2 GLN 97 6.438 -1.791 -6.959 826 HG3 GLN 97 HG3 GLN 97 4.780 -2.284 -7.297 827 HE21 GLN 97 HE21 GLN 97 7.626 -0.750 -8.581 828 HE22 GLN 97 HE22 GLN 97 7.100 -0.692 -10.220 829 H LEU 98 H LEU 98 5.674 1.355 -4.118 830 HA LEU 98 HA LEU 98 3.518 3.215 -4.045 831 HB2 LEU 98 HB2 LEU 98 4.059 1.580 -2.232 832 HB3 LEU 98 HB3 LEU 98 5.516 2.485 -1.867 833 HG LEU 98 HG LEU 98 4.057 4.467 -1.248 834 HD11 LEU 98 HD11 LEU 98 2.053 3.908 -2.526 835 HD12 LEU 98 HD12 LEU 98 1.669 4.106 -0.819 836 HD13 LEU 98 HD13 LEU 98 1.775 2.486 -1.514 837 HD21 LEU 98 HD21 LEU 98 3.385 3.595 0.949 838 HD22 LEU 98 HD22 LEU 98 4.984 3.011 0.496 839 HD23 LEU 98 HD23 LEU 98 3.588 1.940 0.367 840 H GLN 99 H GLN 99 7.022 3.580 -3.675 841 HA GLN 99 HA GLN 99 7.089 6.379 -3.135 842 HB2 GLN 99 HB2 GLN 99 9.215 4.504 -4.262 843 HB3 GLN 99 HB3 GLN 99 9.531 6.173 -3.779 844 HG2 GLN 99 HG2 GLN 99 8.938 5.655 -1.463 845 HG3 GLN 99 HG3 GLN 99 8.503 4.006 -1.913 846 HE21 GLN 99 HE21 GLN 99 10.523 4.994 0.003 847 HE22 GLN 99 HE22 GLN 99 12.013 4.278 -0.490 848 H GLU 100 H GLU 100 7.303 4.510 -6.171 849 HA GLU 100 HA GLU 100 7.718 6.644 -7.984 850 HB2 GLU 100 HB2 GLU 100 6.339 3.954 -8.368 851 HB3 GLU 100 HB3 GLU 100 6.642 5.072 -9.696 852 HG2 GLU 100 HG2 GLU 100 9.049 4.900 -9.326 853 HG3 GLU 100 HG3 GLU 100 8.788 3.841 -7.945 854 H PHE 101 H PHE 101 4.708 5.207 -6.717 855 HA PHE 101 HA PHE 101 2.926 6.865 -8.205 856 HB2 PHE 101 HB2 PHE 101 2.198 4.695 -7.234 857 HB3 PHE 101 HB3 PHE 101 2.361 5.364 -5.612 858 HD1 PHE 101 HD2 PHE 101 0.725 6.319 -8.858 859 HD2 PHE 101 HD1 PHE 101 0.319 6.065 -4.604 860 HE1 PHE 101 HE2 PHE 101 -1.547 7.212 -9.023 861 HE2 PHE 101 HE1 PHE 101 -1.967 6.972 -4.788 862 HZ PHE 101 HZ PHE 101 -2.894 7.538 -7.012 863 H SER 102 H SER 102 4.258 7.106 -4.912 864 HA SER 102 HA SER 102 2.620 9.026 -3.780 865 HB2 SER 102 HB2 SER 102 4.318 7.763 -2.519 866 HB3 SER 102 HB3 SER 102 5.605 8.675 -3.309 867 HG SER 102 HG SER 102 5.355 9.928 -1.634 868 H GLU 103 H GLU 103 5.694 9.663 -5.498 869 HA GLU 103 HA GLU 103 5.395 12.533 -5.445 870 HB2 GLU 103 HB2 GLU 103 7.402 12.507 -6.933 871 HB3 GLU 103 HB3 GLU 103 7.621 11.554 -5.471 872 HG2 GLU 103 HG2 GLU 103 7.205 9.483 -6.751 873 HG3 GLU 103 HG3 GLU 103 6.984 10.428 -8.219 874 H ASN 104 H ASN 104 4.522 9.986 -7.731 875 HA ASN 104 HA ASN 104 3.805 11.952 -9.832 876 HB2 ASN 104 HB2 ASN 104 4.633 9.029 -10.083 877 HB3 ASN 104 HB3 ASN 104 4.131 10.039 -11.433 878 HD21 ASN 104 HD21 ASN 104 6.710 8.667 -10.748 879 HD22 ASN 104 HD22 ASN 104 7.909 9.899 -10.881 880 H LYS 105 H LYS 105 1.923 11.347 -7.698 881 HA LYS 105 HA LYS 105 -0.109 9.542 -8.538 882 HB2 LYS 105 HB2 LYS 105 -0.505 12.125 -6.945 883 HB3 LYS 105 HB3 LYS 105 -1.680 10.821 -7.103 884 HG2 LYS 105 HG2 LYS 105 0.053 9.316 -5.963 885 HG3 LYS 105 HG3 LYS 105 0.951 10.797 -5.601 886 HD2 LYS 105 HD2 LYS 105 -1.177 11.664 -4.470 887 HD3 LYS 105 HD3 LYS 105 -1.845 10.040 -4.654 888 HE2 LYS 105 HE2 LYS 105 -0.951 10.303 -2.413 889 HE3 LYS 105 HE3 LYS 105 0.055 9.156 -3.298 890 HZ1 LYS 105 HZ1 LYS 105 1.656 10.899 -3.683 891 HZ2 LYS 105 HZ2 LYS 105 1.358 10.758 -2.026 892 HZ3 LYS 105 HZ3 LYS 105 0.683 12.031 -2.906 893 H GLU 106 H GLU 106 -0.070 13.106 -8.836 894 HA GLU 106 HA GLU 106 -1.072 13.020 -11.592 895 HB2 GLU 106 HB2 GLU 106 -2.413 14.618 -9.363 896 HB3 GLU 106 HB3 GLU 106 -2.762 14.831 -11.072 897 HG2 GLU 106 HG2 GLU 106 -3.789 12.660 -11.212 898 HG3 GLU 106 HG3 GLU 106 -3.225 12.223 -9.603 899 H LYS 107 H LYS 107 -0.770 15.630 -9.175 900 HA LYS 107 HA LYS 107 1.722 16.624 -10.289 901 HB2 LYS 107 HB2 LYS 107 0.865 18.911 -10.603 902 HB3 LYS 107 HB3 LYS 107 0.077 17.780 -11.675 903 HG2 LYS 107 HG2 LYS 107 -1.205 18.774 -9.107 904 HG3 LYS 107 HG3 LYS 107 -1.380 19.617 -10.647 905 HD2 LYS 107 HD2 LYS 107 -2.530 17.709 -11.625 906 HD3 LYS 107 HD3 LYS 107 -2.198 16.723 -10.201 907 HE2 LYS 107 HE2 LYS 107 -3.940 19.212 -10.211 908 HE3 LYS 107 HE3 LYS 107 -4.543 17.555 -10.275 909 HZ1 LYS 107 HZ1 LYS 107 -2.926 18.692 -8.060 910 HZ2 LYS 107 HZ2 LYS 107 -3.606 17.145 -8.108 911 HZ3 LYS 107 HZ3 LYS 107 -4.601 18.504 -8.040 912 H GLU 108 H GLU 108 2.860 16.398 -8.413 913 HA GLU 108 HA GLU 108 2.490 18.335 -6.322 914 HB2 GLU 108 HB2 GLU 108 2.359 16.755 -4.450 915 HB3 GLU 108 HB3 GLU 108 0.981 16.545 -5.520 916 HG2 GLU 108 HG2 GLU 108 2.082 14.546 -6.510 917 HG3 GLU 108 HG3 GLU 108 3.430 14.751 -5.391 918 H ILE 109 H ILE 109 4.255 17.875 -4.510 919 HA ILE 109 HA ILE 109 6.789 17.043 -5.828 920 HB ILE 109 HB ILE 109 7.985 18.520 -4.226 921 HG12 ILE 109 HG12 ILE 109 5.215 19.457 -3.330 922 HG13 ILE 109 HG13 ILE 109 6.308 18.478 -2.362 923 HG21 ILE 109 HG21 ILE 109 7.370 20.689 -5.236 924 HG22 ILE 109 HG22 ILE 109 5.857 19.996 -5.821 925 HG23 ILE 109 HG23 ILE 109 7.395 19.401 -6.447 926 HD11 ILE 109 HD11 ILE 109 6.774 21.316 -3.264 927 HD12 ILE 109 HD12 ILE 109 7.917 20.343 -2.335 928 HD13 ILE 109 HD13 ILE 109 6.355 20.774 -1.639 Start of MODEL 9 1 H1 MET 1 H1 MET 1 26.412 -25.719 -2.430 2 H2 MET 1 H2 MET 1 26.361 -24.756 -3.820 3 H3 MET 1 H3 MET 1 25.468 -26.190 -3.757 4 HA MET 1 HA MET 1 24.044 -25.328 -2.065 5 HB2 MET 1 HB2 MET 1 25.748 -23.930 -0.924 6 HB3 MET 1 HB3 MET 1 25.743 -22.803 -2.272 7 HG2 MET 1 HG2 MET 1 23.412 -22.203 -1.778 8 HG3 MET 1 HG3 MET 1 23.383 -23.365 -0.454 9 HE1 MET 1 HE1 MET 1 24.891 -19.948 -1.750 10 HE2 MET 1 HE2 MET 1 26.350 -20.895 -1.452 11 HE3 MET 1 HE3 MET 1 25.970 -19.515 -0.423 12 H GLY 2 H GLY 2 22.084 -24.678 -2.859 13 HA2 GLY 2 HA2 GLY 2 20.988 -22.772 -4.184 14 HA3 GLY 2 HA3 GLY 2 21.985 -23.335 -5.516 15 H HIS 3 H HIS 3 19.515 -24.463 -3.196 16 HA HIS 3 HA HIS 3 18.551 -26.446 -5.166 17 HB2 HIS 3 HB2 HIS 3 17.291 -27.440 -3.234 18 HB3 HIS 3 HB3 HIS 3 19.036 -27.453 -3.028 19 HD1 HIS 3 HD1 HIS 3 19.800 -26.733 -0.780 20 HD2 HIS 3 HD2 HIS 3 16.073 -25.121 -1.695 21 HE1 HIS 3 HE1 HIS 3 19.065 -25.512 1.287 22 HE2 HIS 3 HE2 HIS 3 16.752 -24.687 0.764 23 H HIS 4 H HIS 4 16.209 -26.772 -5.322 24 HA HIS 4 HA HIS 4 14.469 -24.464 -4.768 25 HB2 HIS 4 HB2 HIS 4 13.556 -24.551 -7.124 26 HB3 HIS 4 HB3 HIS 4 15.223 -23.998 -7.045 27 HD1 HIS 4 HD1 HIS 4 17.064 -25.732 -7.816 28 HD2 HIS 4 HD2 HIS 4 13.150 -26.820 -8.694 29 HE1 HIS 4 HE1 HIS 4 17.249 -27.587 -9.493 30 HE2 HIS 4 HE2 HIS 4 14.881 -28.070 -10.166 31 H HIS 5 H HIS 5 12.148 -25.017 -5.156 32 HA HIS 5 HA HIS 5 11.495 -27.701 -4.222 33 HB2 HIS 5 HB2 HIS 5 9.721 -25.286 -4.824 34 HB3 HIS 5 HB3 HIS 5 9.145 -26.800 -4.131 35 HD1 HIS 5 HD1 HIS 5 10.783 -23.614 -3.242 36 HD2 HIS 5 HD2 HIS 5 10.062 -27.292 -1.445 37 HE1 HIS 5 HE1 HIS 5 11.243 -23.264 -0.806 38 HE2 HIS 5 HE2 HIS 5 10.755 -25.486 0.273 39 H HIS 6 H HIS 6 10.049 -29.142 -5.310 40 HA HIS 6 HA HIS 6 10.303 -29.255 -8.185 41 HB2 HIS 6 HB2 HIS 6 10.349 -31.320 -6.788 42 HB3 HIS 6 HB3 HIS 6 8.680 -31.036 -6.308 43 HD1 HIS 6 HD1 HIS 6 6.847 -31.399 -8.147 44 HD2 HIS 6 HD2 HIS 6 10.686 -32.512 -9.295 45 HE1 HIS 6 HE1 HIS 6 6.557 -32.701 -10.275 46 HE2 HIS 6 HE2 HIS 6 8.878 -33.401 -10.929 47 H HIS 7 H HIS 7 9.251 -27.311 -8.814 48 HA HIS 7 HA HIS 7 6.366 -27.014 -8.307 49 HB2 HIS 7 HB2 HIS 7 8.003 -25.108 -7.874 50 HB3 HIS 7 HB3 HIS 7 8.245 -25.003 -9.613 51 HD1 HIS 7 HD1 HIS 7 5.452 -24.707 -7.062 52 HD2 HIS 7 HD2 HIS 7 6.408 -23.394 -10.889 53 HE1 HIS 7 HE1 HIS 7 3.648 -23.084 -7.681 54 HE2 HIS 7 HE2 HIS 7 4.188 -22.375 -10.034 55 H HIS 8 H HIS 8 6.085 -28.918 -9.727 56 HA HIS 8 HA HIS 8 5.146 -28.129 -12.343 57 HB2 HIS 8 HB2 HIS 8 7.634 -28.625 -12.694 58 HB3 HIS 8 HB3 HIS 8 7.302 -30.294 -12.252 59 HD1 HIS 8 HD1 HIS 8 7.110 -31.726 -14.270 60 HD2 HIS 8 HD2 HIS 8 5.763 -27.862 -15.015 61 HE1 HIS 8 HE1 HIS 8 6.472 -31.694 -16.697 62 HE2 HIS 8 HE2 HIS 8 5.828 -29.308 -17.161 63 H SER 9 H SER 9 4.483 -29.575 -9.640 64 HA SER 9 HA SER 9 3.568 -32.227 -10.495 65 HB2 SER 9 HB2 SER 9 4.721 -31.904 -8.287 66 HB3 SER 9 HB3 SER 9 3.368 -30.907 -7.750 67 HG SER 9 HG SER 9 2.852 -32.888 -7.037 68 H HIS 10 H HIS 10 1.325 -32.894 -9.657 69 HA HIS 10 HA HIS 10 -0.678 -31.088 -10.743 70 HB2 HIS 10 HB2 HIS 10 -0.919 -33.898 -9.592 71 HB3 HIS 10 HB3 HIS 10 -2.244 -33.013 -10.347 72 HD1 HIS 10 HD1 HIS 10 0.555 -35.236 -11.129 73 HD2 HIS 10 HD2 HIS 10 -1.780 -32.482 -13.185 74 HE1 HIS 10 HE1 HIS 10 0.916 -35.740 -13.562 75 HE2 HIS 10 HE2 HIS 10 -0.622 -34.156 -14.772 76 H MET 11 H MET 11 -0.750 -29.357 -9.228 77 HA MET 11 HA MET 11 -2.507 -29.912 -6.958 78 HB2 MET 11 HB2 MET 11 -0.161 -29.931 -6.042 79 HB3 MET 11 HB3 MET 11 0.018 -28.256 -6.546 80 HG2 MET 11 HG2 MET 11 -1.767 -27.582 -5.014 81 HG3 MET 11 HG3 MET 11 -2.047 -29.268 -4.572 82 HE1 MET 11 HE1 MET 11 -1.810 -28.795 -1.980 83 HE2 MET 11 HE2 MET 11 -1.625 -27.076 -2.338 84 HE3 MET 11 HE3 MET 11 -0.480 -27.886 -1.268 85 H ILE 12 H ILE 12 -3.850 -28.979 -8.748 86 HA ILE 12 HA ILE 12 -4.114 -26.047 -8.409 87 HB ILE 12 HB ILE 12 -5.788 -27.916 -10.169 88 HG12 ILE 12 HG12 ILE 12 -3.483 -26.090 -11.021 89 HG13 ILE 12 HG13 ILE 12 -3.386 -27.843 -10.904 90 HG21 ILE 12 HG21 ILE 12 -5.621 -24.867 -10.149 91 HG22 ILE 12 HG22 ILE 12 -6.972 -25.837 -9.556 92 HG23 ILE 12 HG23 ILE 12 -6.575 -25.843 -11.273 93 HD11 ILE 12 HD11 ILE 12 -5.138 -26.291 -12.813 94 HD12 ILE 12 HD12 ILE 12 -5.038 -28.051 -12.706 95 HD13 ILE 12 HD13 ILE 12 -3.630 -27.115 -13.203 96 H LYS 13 H LYS 13 -4.545 -26.318 -6.140 97 HA LYS 13 HA LYS 13 -6.993 -27.798 -5.361 98 HB2 LYS 13 HB2 LYS 13 -4.880 -28.702 -4.456 99 HB3 LYS 13 HB3 LYS 13 -4.494 -27.141 -3.746 100 HG2 LYS 13 HG2 LYS 13 -5.297 -28.706 -2.047 101 HG3 LYS 13 HG3 LYS 13 -6.399 -27.338 -2.211 102 HD2 LYS 13 HD2 LYS 13 -7.886 -28.773 -3.644 103 HD3 LYS 13 HD3 LYS 13 -6.805 -30.137 -3.345 104 HE2 LYS 13 HE2 LYS 13 -7.308 -29.996 -0.928 105 HE3 LYS 13 HE3 LYS 13 -8.370 -28.616 -1.226 106 HZ1 LYS 13 HZ1 LYS 13 -8.749 -31.385 -2.237 107 HZ2 LYS 13 HZ2 LYS 13 -9.745 -30.071 -2.626 108 HZ3 LYS 13 HZ3 LYS 13 -9.648 -30.618 -1.031 109 H ARG 14 H ARG 14 -5.405 -24.677 -5.159 110 HA ARG 14 HA ARG 14 -6.910 -23.620 -2.986 111 HB2 ARG 14 HB2 ARG 14 -4.759 -22.642 -3.530 112 HB3 ARG 14 HB3 ARG 14 -5.314 -22.165 -5.133 113 HG2 ARG 14 HG2 ARG 14 -6.771 -20.477 -4.229 114 HG3 ARG 14 HG3 ARG 14 -6.590 -21.104 -2.590 115 HD2 ARG 14 HD2 ARG 14 -4.237 -20.379 -2.553 116 HD3 ARG 14 HD3 ARG 14 -4.375 -19.813 -4.218 117 HE ARG 14 HE ARG 14 -5.427 -17.915 -3.481 118 HH11 ARG 14 HH11 ARG 14 -5.339 -20.125 -0.789 119 HH12 ARG 14 HH12 ARG 14 -5.850 -18.912 0.330 120 HH21 ARG 14 HH21 ARG 14 -6.064 -16.423 -2.038 121 HH22 ARG 14 HH22 ARG 14 -6.264 -16.848 -0.373 122 H THR 15 H THR 15 -9.083 -23.621 -3.158 123 HA THR 15 HA THR 15 -10.322 -21.803 -5.165 124 HB THR 15 HB THR 15 -11.667 -23.918 -3.416 125 HG1 THR 15 HG1 THR 15 -11.954 -24.489 -5.993 126 HG21 THR 15 HG21 THR 15 -13.200 -22.041 -3.971 127 HG22 THR 15 HG22 THR 15 -13.696 -23.547 -4.739 128 HG23 THR 15 HG23 THR 15 -12.885 -22.300 -5.692 129 H ASN 16 H ASN 16 -12.036 -20.358 -4.199 130 HA ASN 16 HA ASN 16 -12.836 -18.802 -2.778 131 HB2 ASN 16 HB2 ASN 16 -11.650 -20.496 -0.541 132 HB3 ASN 16 HB3 ASN 16 -12.664 -19.079 -0.283 133 HD21 ASN 16 HD21 ASN 16 -12.615 -22.407 -1.280 134 HD22 ASN 16 HD22 ASN 16 -14.324 -22.626 -1.326 135 H GLU 17 H GLU 17 -12.090 -17.109 -1.040 136 HA GLU 17 HA GLU 17 -11.163 -15.050 -1.276 137 HB2 GLU 17 HB2 GLU 17 -9.501 -16.212 0.231 138 HB3 GLU 17 HB3 GLU 17 -8.522 -16.574 -1.184 139 HG2 GLU 17 HG2 GLU 17 -7.538 -14.678 -0.074 140 HG3 GLU 17 HG3 GLU 17 -8.262 -14.102 -1.576 141 HA PRO 18 HA PRO 18 -10.555 -15.781 -5.956 142 HB2 PRO 18 HB2 PRO 18 -12.826 -13.807 -6.064 143 HB3 PRO 18 HB3 PRO 18 -12.593 -15.308 -6.975 144 HG2 PRO 18 HG2 PRO 18 -14.382 -15.204 -5.003 145 HG3 PRO 18 HG3 PRO 18 -13.376 -16.654 -5.220 146 HD2 PRO 18 HD2 PRO 18 -13.032 -14.385 -3.241 147 HD3 PRO 18 HD3 PRO 18 -12.922 -16.142 -2.964 148 H LEU 19 H LEU 19 -9.357 -14.356 -7.263 149 HA LEU 19 HA LEU 19 -7.988 -12.225 -6.066 150 HB2 LEU 19 HB2 LEU 19 -8.173 -13.347 -8.829 151 HB3 LEU 19 HB3 LEU 19 -7.534 -11.720 -8.714 152 HG LEU 19 HG LEU 19 -5.777 -13.511 -8.746 153 HD11 LEU 19 HD11 LEU 19 -5.301 -11.285 -7.834 154 HD12 LEU 19 HD12 LEU 19 -4.390 -12.536 -6.995 155 HD13 LEU 19 HD13 LEU 19 -5.812 -11.821 -6.229 156 HD21 LEU 19 HD21 LEU 19 -6.795 -14.212 -5.962 157 HD22 LEU 19 HD22 LEU 19 -5.357 -14.870 -6.753 158 HD23 LEU 19 HD23 LEU 19 -6.955 -15.226 -7.404 159 H ASP 20 H ASP 20 -10.888 -12.183 -8.028 160 HA ASP 20 HA ASP 20 -11.271 -9.424 -8.439 161 HB2 ASP 20 HB2 ASP 20 -13.460 -11.458 -7.807 162 HB3 ASP 20 HB3 ASP 20 -13.625 -9.977 -8.753 163 H LYS 21 H LYS 21 -12.317 -11.489 -5.733 164 HA LYS 21 HA LYS 21 -13.399 -9.359 -4.119 165 HB2 LYS 21 HB2 LYS 21 -12.948 -12.310 -3.590 166 HB3 LYS 21 HB3 LYS 21 -13.650 -11.215 -2.397 167 HG2 LYS 21 HG2 LYS 21 -15.494 -10.699 -3.954 168 HG3 LYS 21 HG3 LYS 21 -14.800 -11.806 -5.144 169 HD2 LYS 21 HD2 LYS 21 -16.673 -12.833 -3.904 170 HD3 LYS 21 HD3 LYS 21 -15.162 -13.700 -3.637 171 HE2 LYS 21 HE2 LYS 21 -16.449 -13.467 -1.543 172 HE3 LYS 21 HE3 LYS 21 -14.911 -12.616 -1.440 173 HZ1 LYS 21 HZ1 LYS 21 -16.078 -10.541 -1.867 174 HZ2 LYS 21 HZ2 LYS 21 -16.702 -11.321 -0.503 175 HZ3 LYS 21 HZ3 LYS 21 -17.552 -11.361 -1.965 176 H LYS 22 H LYS 22 -10.273 -10.922 -4.339 177 HA LYS 22 HA LYS 22 -9.306 -10.269 -1.713 178 HB2 LYS 22 HB2 LYS 22 -8.316 -12.115 -3.159 179 HB3 LYS 22 HB3 LYS 22 -7.622 -10.867 -4.195 180 HG2 LYS 22 HG2 LYS 22 -6.405 -9.974 -2.144 181 HG3 LYS 22 HG3 LYS 22 -6.986 -11.395 -1.267 182 HD2 LYS 22 HD2 LYS 22 -5.812 -12.795 -3.083 183 HD3 LYS 22 HD3 LYS 22 -5.053 -11.284 -3.603 184 HE2 LYS 22 HE2 LYS 22 -4.815 -12.545 -0.853 185 HE3 LYS 22 HE3 LYS 22 -3.572 -12.557 -2.097 186 HZ1 LYS 22 HZ1 LYS 22 -3.424 -10.154 -1.916 187 HZ2 LYS 22 HZ2 LYS 22 -3.155 -10.873 -0.409 188 HZ3 LYS 22 HZ3 LYS 22 -4.636 -10.134 -0.739 189 H ARG 23 H ARG 23 -8.854 -8.949 -4.981 190 HA ARG 23 HA ARG 23 -7.392 -6.634 -4.366 191 HB2 ARG 23 HB2 ARG 23 -9.384 -7.187 -6.591 192 HB3 ARG 23 HB3 ARG 23 -8.445 -5.693 -6.504 193 HG2 ARG 23 HG2 ARG 23 -6.363 -6.897 -6.747 194 HG3 ARG 23 HG3 ARG 23 -7.184 -8.452 -6.590 195 HD2 ARG 23 HD2 ARG 23 -8.362 -8.050 -8.723 196 HD3 ARG 23 HD3 ARG 23 -7.540 -6.491 -8.886 197 HE ARG 23 HE ARG 23 -5.494 -8.269 -8.621 198 HH11 ARG 23 HH11 ARG 23 -8.143 -8.077 -10.838 199 HH12 ARG 23 HH12 ARG 23 -7.248 -8.821 -12.111 200 HH21 ARG 23 HH21 ARG 23 -4.384 -9.180 -10.260 201 HH22 ARG 23 HH22 ARG 23 -5.139 -9.440 -11.789 202 H ALA 24 H ALA 24 -10.942 -7.137 -4.487 203 HA ALA 24 HA ALA 24 -11.773 -4.509 -3.900 204 HB1 ALA 24 HB1 ALA 24 -13.156 -7.117 -3.169 205 HB2 ALA 24 HB2 ALA 24 -13.297 -6.271 -4.710 206 HB3 ALA 24 HB3 ALA 24 -13.922 -5.523 -3.240 207 H ARG 25 H ARG 25 -11.050 -7.223 -1.717 208 HA ARG 25 HA ARG 25 -11.676 -5.953 0.745 209 HB2 ARG 25 HB2 ARG 25 -11.713 -8.386 0.433 210 HB3 ARG 25 HB3 ARG 25 -9.992 -8.416 0.107 211 HG2 ARG 25 HG2 ARG 25 -10.891 -7.373 2.781 212 HG3 ARG 25 HG3 ARG 25 -11.033 -9.104 2.482 213 HD2 ARG 25 HD2 ARG 25 -8.471 -7.472 2.292 214 HD3 ARG 25 HD3 ARG 25 -8.916 -8.560 3.611 215 HE ARG 25 HE ARG 25 -8.940 -9.961 1.137 216 HH11 ARG 25 HH11 ARG 25 -6.727 -8.730 3.501 217 HH12 ARG 25 HH12 ARG 25 -5.465 -9.812 3.024 218 HH21 ARG 25 HH21 ARG 25 -7.312 -11.344 0.581 219 HH22 ARG 25 HH22 ARG 25 -5.790 -11.258 1.411 220 H LEU 26 H LEU 26 -8.597 -6.260 -1.053 221 HA LEU 26 HA LEU 26 -6.954 -5.134 1.031 222 HB2 LEU 26 HB2 LEU 26 -6.381 -5.472 -1.934 223 HB3 LEU 26 HB3 LEU 26 -5.208 -4.903 -0.764 224 HG LEU 26 HG LEU 26 -6.421 -7.713 -0.850 225 HD11 LEU 26 HD11 LEU 26 -4.793 -7.314 -2.631 226 HD12 LEU 26 HD12 LEU 26 -4.170 -8.446 -1.434 227 HD13 LEU 26 HD13 LEU 26 -3.598 -6.773 -1.445 228 HD21 LEU 26 HD21 LEU 26 -6.021 -7.002 1.473 229 HD22 LEU 26 HD22 LEU 26 -4.356 -6.572 1.067 230 HD23 LEU 26 HD23 LEU 26 -4.885 -8.255 0.979 231 H ILE 27 H ILE 27 -8.304 -3.792 -2.019 232 HA ILE 27 HA ILE 27 -7.534 -1.099 -1.695 233 HB ILE 27 HB ILE 27 -10.027 -2.138 -3.124 234 HG12 ILE 27 HG12 ILE 27 -7.283 -1.553 -4.319 235 HG13 ILE 27 HG13 ILE 27 -7.867 -3.163 -3.942 236 HG21 ILE 27 HG21 ILE 27 -9.940 -0.050 -4.454 237 HG22 ILE 27 HG22 ILE 27 -8.560 0.502 -3.501 238 HG23 ILE 27 HG23 ILE 27 -10.139 0.305 -2.734 239 HD11 ILE 27 HD11 ILE 27 -9.037 -1.281 -5.986 240 HD12 ILE 27 HD12 ILE 27 -9.641 -2.899 -5.614 241 HD13 ILE 27 HD13 ILE 27 -8.031 -2.695 -6.304 242 H TYR 28 H TYR 28 -10.294 -2.886 -0.335 243 HA TYR 28 HA TYR 28 -11.664 -0.720 0.868 244 HB2 TYR 28 HB2 TYR 28 -12.795 -2.838 0.766 245 HB3 TYR 28 HB3 TYR 28 -11.495 -3.663 1.616 246 HD1 TYR 28 HD2 TYR 28 -13.731 -0.675 2.275 247 HD2 TYR 28 HD1 TYR 28 -12.068 -4.315 3.805 248 HE1 TYR 28 HE2 TYR 28 -14.907 -0.325 4.408 249 HE2 TYR 28 HE1 TYR 28 -13.239 -3.956 5.936 250 HH TYR 28 HH TYR 28 -14.204 -2.137 7.232 251 H GLN 29 H GLN 29 -9.053 -2.813 2.155 252 HA GLN 29 HA GLN 29 -8.927 -1.403 4.693 253 HB2 GLN 29 HB2 GLN 29 -7.194 -3.605 3.527 254 HB3 GLN 29 HB3 GLN 29 -7.048 -2.983 5.171 255 HG2 GLN 29 HG2 GLN 29 -9.307 -3.752 5.705 256 HG3 GLN 29 HG3 GLN 29 -9.547 -4.292 4.044 257 HE21 GLN 29 HE21 GLN 29 -6.885 -5.459 3.746 258 HE22 GLN 29 HE22 GLN 29 -6.851 -6.875 4.724 259 H SER 30 H SER 30 -7.576 -0.804 1.633 260 HA SER 30 HA SER 30 -5.378 0.851 2.621 261 HB2 SER 30 HB2 SER 30 -4.989 1.427 0.314 262 HB3 SER 30 HB3 SER 30 -5.352 -0.292 0.350 263 HG SER 30 HG SER 30 -6.449 1.380 -1.187 264 H ARG 31 H ARG 31 -8.740 1.190 1.622 265 HA ARG 31 HA ARG 31 -8.835 4.061 2.083 266 HB2 ARG 31 HB2 ARG 31 -11.038 2.001 1.677 267 HB3 ARG 31 HB3 ARG 31 -11.309 3.737 1.790 268 HG2 ARG 31 HG2 ARG 31 -9.352 3.318 -0.278 269 HG3 ARG 31 HG3 ARG 31 -10.645 2.145 -0.535 270 HD2 ARG 31 HD2 ARG 31 -11.122 4.188 -1.777 271 HD3 ARG 31 HD3 ARG 31 -12.306 3.998 -0.474 272 HE ARG 31 HE ARG 31 -10.101 5.592 0.386 273 HH11 ARG 31 HH11 ARG 31 -12.987 5.819 -1.521 274 HH12 ARG 31 HH12 ARG 31 -13.126 7.522 -1.263 275 HH21 ARG 31 HH21 ARG 31 -10.311 7.749 0.695 276 HH22 ARG 31 HH22 ARG 31 -11.633 8.599 -0.032 277 H LYS 32 H LYS 32 -9.138 1.191 4.016 278 HA LYS 32 HA LYS 32 -10.482 2.592 6.229 279 HB2 LYS 32 HB2 LYS 32 -10.812 0.031 5.405 280 HB3 LYS 32 HB3 LYS 32 -9.440 -0.251 6.465 281 HG2 LYS 32 HG2 LYS 32 -11.415 -0.687 7.731 282 HG3 LYS 32 HG3 LYS 32 -10.761 0.846 8.328 283 HD2 LYS 32 HD2 LYS 32 -12.395 2.066 6.887 284 HD3 LYS 32 HD3 LYS 32 -13.054 0.517 6.345 285 HE2 LYS 32 HE2 LYS 32 -13.813 0.020 8.625 286 HE3 LYS 32 HE3 LYS 32 -13.058 1.499 9.227 287 HZ1 LYS 32 HZ1 LYS 32 -15.414 1.796 8.913 288 HZ2 LYS 32 HZ2 LYS 32 -15.297 1.355 7.287 289 HZ3 LYS 32 HZ3 LYS 32 -14.565 2.777 7.829 290 H ARG 33 H ARG 33 -9.188 3.717 7.587 291 HA ARG 33 HA ARG 33 -6.343 3.100 7.971 292 HB2 ARG 33 HB2 ARG 33 -7.360 5.574 6.506 293 HB3 ARG 33 HB3 ARG 33 -5.750 5.471 7.194 294 HG2 ARG 33 HG2 ARG 33 -6.785 3.640 5.008 295 HG3 ARG 33 HG3 ARG 33 -5.871 5.116 4.719 296 HD2 ARG 33 HD2 ARG 33 -4.215 3.476 4.573 297 HD3 ARG 33 HD3 ARG 33 -4.052 4.012 6.245 298 HE ARG 33 HE ARG 33 -5.615 1.605 5.539 299 HH11 ARG 33 HH11 ARG 33 -3.159 3.048 7.521 300 HH12 ARG 33 HH12 ARG 33 -2.785 1.550 8.293 301 HH21 ARG 33 HH21 ARG 33 -5.108 -0.260 6.544 302 HH22 ARG 33 HH22 ARG 33 -3.865 -0.300 7.746 303 H GLY 34 H GLY 34 -5.285 4.642 9.449 304 HA2 GLY 34 HA2 GLY 34 -6.872 5.772 11.571 305 HA3 GLY 34 HA3 GLY 34 -5.139 5.959 11.327 306 H ILE 35 H ILE 35 -4.705 7.271 9.110 307 HA ILE 35 HA ILE 35 -6.194 9.832 9.371 308 HB ILE 35 HB ILE 35 -4.224 11.014 8.559 309 HG12 ILE 35 HG12 ILE 35 -2.788 8.318 8.444 310 HG13 ILE 35 HG13 ILE 35 -3.333 9.224 7.039 311 HG21 ILE 35 HG21 ILE 35 -2.696 10.656 10.467 312 HG22 ILE 35 HG22 ILE 35 -3.497 9.124 10.824 313 HG23 ILE 35 HG23 ILE 35 -4.387 10.641 10.976 314 HD11 ILE 35 HD11 ILE 35 -1.782 11.028 7.605 315 HD12 ILE 35 HD12 ILE 35 -0.958 9.485 7.381 316 HD13 ILE 35 HD13 ILE 35 -1.230 10.109 9.007 317 H LEU 36 H LEU 36 -6.759 11.029 7.514 318 HA LEU 36 HA LEU 36 -7.532 9.470 5.228 319 HB2 LEU 36 HB2 LEU 36 -7.878 12.406 5.878 320 HB3 LEU 36 HB3 LEU 36 -8.416 11.720 4.359 321 HG LEU 36 HG LEU 36 -10.337 11.893 5.772 322 HD11 LEU 36 HD11 LEU 36 -11.143 9.601 5.924 323 HD12 LEU 36 HD12 LEU 36 -9.496 8.986 5.759 324 HD13 LEU 36 HD13 LEU 36 -10.251 9.861 4.425 325 HD21 LEU 36 HD21 LEU 36 -8.845 10.384 7.940 326 HD22 LEU 36 HD22 LEU 36 -10.536 10.889 8.001 327 HD23 LEU 36 HD23 LEU 36 -9.259 12.100 7.951 328 H GLU 37 H GLU 37 -4.686 11.328 5.885 329 HA GLU 37 HA GLU 37 -3.987 11.994 3.180 330 HB2 GLU 37 HB2 GLU 37 -2.187 11.690 5.622 331 HB3 GLU 37 HB3 GLU 37 -1.678 12.360 4.070 332 HG2 GLU 37 HG2 GLU 37 -3.461 14.132 4.360 333 HG3 GLU 37 HG3 GLU 37 -3.714 13.523 5.994 334 H THR 38 H THR 38 -3.004 9.300 5.321 335 HA THR 38 HA THR 38 -1.576 7.830 3.320 336 HB THR 38 HB THR 38 -2.785 6.792 5.923 337 HG1 THR 38 HG1 THR 38 -0.072 7.199 5.814 338 HG21 THR 38 HG21 THR 38 -0.555 5.623 4.200 339 HG22 THR 38 HG22 THR 38 -2.174 4.938 4.380 340 HG23 THR 38 HG23 THR 38 -1.082 5.000 5.767 341 H ASP 39 H ASP 39 -4.981 7.875 4.367 342 HA ASP 39 HA ASP 39 -6.044 5.791 2.854 343 HB2 ASP 39 HB2 ASP 39 -7.589 6.865 4.262 344 HB3 ASP 39 HB3 ASP 39 -7.141 8.467 3.709 345 H LEU 40 H LEU 40 -5.660 9.206 1.735 346 HA LEU 40 HA LEU 40 -6.429 8.799 -0.942 347 HB2 LEU 40 HB2 LEU 40 -4.599 10.910 0.252 348 HB3 LEU 40 HB3 LEU 40 -5.258 10.988 -1.379 349 HG LEU 40 HG LEU 40 -6.917 11.008 1.178 350 HD11 LEU 40 HD11 LEU 40 -5.651 13.075 0.967 351 HD12 LEU 40 HD12 LEU 40 -7.365 13.367 0.690 352 HD13 LEU 40 HD13 LEU 40 -6.250 13.308 -0.678 353 HD21 LEU 40 HD21 LEU 40 -7.792 11.382 -1.705 354 HD22 LEU 40 HD22 LEU 40 -8.822 11.572 -0.283 355 HD23 LEU 40 HD23 LEU 40 -8.147 9.993 -0.674 356 H LEU 41 H LEU 41 -3.270 8.460 0.592 357 HA LEU 41 HA LEU 41 -1.642 8.112 -1.704 358 HB2 LEU 41 HB2 LEU 41 -0.673 8.605 0.459 359 HB3 LEU 41 HB3 LEU 41 -1.379 7.163 1.165 360 HG LEU 41 HG LEU 41 0.155 5.751 -0.219 361 HD11 LEU 41 HD11 LEU 41 0.542 7.248 -2.106 362 HD12 LEU 41 HD12 LEU 41 2.067 6.749 -1.380 363 HD13 LEU 41 HD13 LEU 41 1.433 8.367 -1.069 364 HD21 LEU 41 HD21 LEU 41 1.560 7.794 1.535 365 HD22 LEU 41 HD22 LEU 41 2.189 6.204 1.082 366 HD23 LEU 41 HD23 LEU 41 0.747 6.324 2.087 367 H LEU 42 H LEU 42 -2.976 5.624 0.500 368 HA LEU 42 HA LEU 42 -2.098 3.425 -1.132 369 HB2 LEU 42 HB2 LEU 42 -3.788 3.537 1.384 370 HB3 LEU 42 HB3 LEU 42 -3.324 2.034 0.601 371 HG LEU 42 HG LEU 42 -1.437 4.052 1.870 372 HD11 LEU 42 HD11 LEU 42 -2.177 1.233 2.722 373 HD12 LEU 42 HD12 LEU 42 -2.656 2.735 3.519 374 HD13 LEU 42 HD13 LEU 42 -0.960 2.264 3.483 375 HD21 LEU 42 HD21 LEU 42 0.371 2.441 1.358 376 HD22 LEU 42 HD22 LEU 42 -0.372 3.083 -0.103 377 HD23 LEU 42 HD23 LEU 42 -0.770 1.451 0.440 378 H SER 43 H SER 43 -5.134 5.149 -0.826 379 HA SER 43 HA SER 43 -6.913 3.216 -1.898 380 HB2 SER 43 HB2 SER 43 -7.794 5.180 -0.736 381 HB3 SER 43 HB3 SER 43 -7.100 6.260 -1.940 382 HG SER 43 HG SER 43 -9.407 5.736 -2.131 383 H GLY 44 H GLY 44 -5.243 5.962 -3.477 384 HA2 GLY 44 HA2 GLY 44 -6.005 5.376 -6.154 385 HA3 GLY 44 HA3 GLY 44 -4.653 6.382 -5.656 386 H PHE 45 H PHE 45 -3.097 4.538 -4.270 387 HA PHE 45 HA PHE 45 -1.599 3.197 -6.234 388 HB2 PHE 45 HB2 PHE 45 -0.740 3.884 -3.979 389 HB3 PHE 45 HB3 PHE 45 -1.697 2.610 -3.235 390 HD1 PHE 45 HD1 PHE 45 1.206 3.290 -5.454 391 HD2 PHE 45 HD2 PHE 45 -0.904 0.316 -3.233 392 HE1 PHE 45 HE1 PHE 45 3.061 1.718 -5.777 393 HE2 PHE 45 HE2 PHE 45 0.964 -1.247 -3.560 394 HZ PHE 45 HZ PHE 45 2.949 -0.547 -4.835 395 H ALA 46 H ALA 46 -4.066 2.024 -4.015 396 HA ALA 46 HA ALA 46 -3.862 -0.729 -4.618 397 HB1 ALA 46 HB1 ALA 46 -4.840 0.135 -2.530 398 HB2 ALA 46 HB2 ALA 46 -5.927 -0.978 -3.358 399 HB3 ALA 46 HB3 ALA 46 -6.218 0.763 -3.437 400 H ALA 47 H ALA 47 -6.062 1.802 -5.786 401 HA ALA 47 HA ALA 47 -7.709 0.139 -7.401 402 HB1 ALA 47 HB1 ALA 47 -8.565 2.253 -8.328 403 HB2 ALA 47 HB2 ALA 47 -7.225 3.130 -7.580 404 HB3 ALA 47 HB3 ALA 47 -8.431 2.330 -6.570 405 H LYS 48 H LYS 48 -4.682 1.824 -8.067 406 HA LYS 48 HA LYS 48 -4.799 1.456 -10.953 407 HB2 LYS 48 HB2 LYS 48 -3.747 3.464 -10.053 408 HB3 LYS 48 HB3 LYS 48 -2.619 2.503 -9.103 409 HG2 LYS 48 HG2 LYS 48 -1.544 1.696 -11.169 410 HG3 LYS 48 HG3 LYS 48 -2.693 2.615 -12.142 411 HD2 LYS 48 HD2 LYS 48 -0.758 3.865 -10.148 412 HD3 LYS 48 HD3 LYS 48 -0.424 3.698 -11.872 413 HE2 LYS 48 HE2 LYS 48 -2.730 5.275 -10.670 414 HE3 LYS 48 HE3 LYS 48 -1.235 5.968 -11.299 415 HZ1 LYS 48 HZ1 LYS 48 -3.039 6.104 -12.901 416 HZ2 LYS 48 HZ2 LYS 48 -3.208 4.424 -12.894 417 HZ3 LYS 48 HZ3 LYS 48 -1.789 5.126 -13.482 418 H TYR 49 H TYR 49 -2.775 0.152 -8.305 419 HA TYR 49 HA TYR 49 -1.166 -1.419 -10.123 420 HB2 TYR 49 HB2 TYR 49 -1.042 -0.894 -7.145 421 HB3 TYR 49 HB3 TYR 49 0.001 -2.090 -7.903 422 HD1 TYR 49 HD1 TYR 49 -0.878 1.561 -7.990 423 HD2 TYR 49 HD2 TYR 49 2.015 -1.423 -8.994 424 HE1 TYR 49 HE1 TYR 49 0.746 3.317 -8.562 425 HE2 TYR 49 HE2 TYR 49 3.631 0.338 -9.562 426 HH TYR 49 HH TYR 49 3.283 3.527 -8.686 427 H LEU 50 H LEU 50 -3.592 -2.212 -7.582 428 HA LEU 50 HA LEU 50 -2.999 -4.975 -7.420 429 HB2 LEU 50 HB2 LEU 50 -5.397 -3.353 -6.655 430 HB3 LEU 50 HB3 LEU 50 -5.599 -5.094 -6.741 431 HG LEU 50 HG LEU 50 -3.630 -5.301 -5.143 432 HD11 LEU 50 HD11 LEU 50 -3.019 -3.444 -3.765 433 HD12 LEU 50 HD12 LEU 50 -4.109 -2.381 -4.648 434 HD13 LEU 50 HD13 LEU 50 -2.687 -3.055 -5.455 435 HD21 LEU 50 HD21 LEU 50 -6.085 -3.892 -4.101 436 HD22 LEU 50 HD22 LEU 50 -4.961 -4.892 -3.174 437 HD23 LEU 50 HD23 LEU 50 -5.942 -5.621 -4.438 438 H LYS 51 H LYS 51 -5.117 -3.262 -9.642 439 HA LYS 51 HA LYS 51 -6.566 -5.408 -10.745 440 HB2 LYS 51 HB2 LYS 51 -5.730 -2.720 -11.894 441 HB3 LYS 51 HB3 LYS 51 -6.818 -3.824 -12.749 442 HG2 LYS 51 HG2 LYS 51 -8.429 -3.678 -10.880 443 HG3 LYS 51 HG3 LYS 51 -7.336 -2.576 -10.026 444 HD2 LYS 51 HD2 LYS 51 -7.531 -0.956 -11.899 445 HD3 LYS 51 HD3 LYS 51 -8.644 -2.048 -12.731 446 HE2 LYS 51 HE2 LYS 51 -10.305 -1.766 -10.977 447 HE3 LYS 51 HE3 LYS 51 -9.170 -0.846 -9.985 448 HZ1 LYS 51 HZ1 LYS 51 -9.169 0.902 -11.597 449 HZ2 LYS 51 HZ2 LYS 51 -10.772 0.552 -11.186 450 HZ3 LYS 51 HZ3 LYS 51 -10.137 0.010 -12.655 451 H LYS 52 H LYS 52 -3.339 -4.187 -11.515 452 HA LYS 52 HA LYS 52 -2.995 -6.165 -13.674 453 HB2 LYS 52 HB2 LYS 52 -1.007 -4.893 -14.306 454 HB3 LYS 52 HB3 LYS 52 -2.409 -3.837 -14.181 455 HG2 LYS 52 HG2 LYS 52 -1.555 -3.216 -11.839 456 HG3 LYS 52 HG3 LYS 52 -0.053 -4.040 -12.279 457 HD2 LYS 52 HD2 LYS 52 0.068 -2.494 -14.302 458 HD3 LYS 52 HD3 LYS 52 -1.296 -1.604 -13.616 459 HE2 LYS 52 HE2 LYS 52 0.743 -0.452 -13.020 460 HE3 LYS 52 HE3 LYS 52 0.097 -1.197 -11.558 461 HZ1 LYS 52 HZ1 LYS 52 1.687 -3.003 -11.816 462 HZ2 LYS 52 HZ2 LYS 52 2.488 -1.517 -11.752 463 HZ3 LYS 52 HZ3 LYS 52 2.292 -2.304 -13.234 464 H MET 53 H MET 53 -2.249 -5.815 -10.324 465 HA MET 53 HA MET 53 0.065 -7.619 -10.394 466 HB2 MET 53 HB2 MET 53 -1.300 -6.146 -8.120 467 HB3 MET 53 HB3 MET 53 -0.149 -7.437 -7.802 468 HG2 MET 53 HG2 MET 53 1.521 -6.135 -9.196 469 HG3 MET 53 HG3 MET 53 0.386 -4.785 -9.141 470 HE1 MET 53 HE1 MET 53 0.319 -4.081 -5.217 471 HE2 MET 53 HE2 MET 53 -0.787 -5.122 -6.114 472 HE3 MET 53 HE3 MET 53 -0.307 -3.563 -6.783 473 H ASN 54 H ASN 54 0.113 -9.676 -9.735 474 HA ASN 54 HA ASN 54 -2.401 -11.194 -9.517 475 HB2 ASN 54 HB2 ASN 54 0.483 -12.172 -9.794 476 HB3 ASN 54 HB3 ASN 54 -0.948 -13.201 -9.824 477 HD21 ASN 54 HD21 ASN 54 1.089 -12.881 -11.841 478 HD22 ASN 54 HD22 ASN 54 0.297 -12.336 -13.267 479 H GLU 55 H GLU 55 -2.035 -13.252 -7.903 480 HA GLU 55 HA GLU 55 -2.422 -12.083 -5.350 481 HB2 GLU 55 HB2 GLU 55 -3.605 -14.097 -6.155 482 HB3 GLU 55 HB3 GLU 55 -2.101 -15.010 -6.122 483 HG2 GLU 55 HG2 GLU 55 -1.981 -14.830 -3.718 484 HG3 GLU 55 HG3 GLU 55 -3.372 -13.756 -3.677 485 H GLU 56 H GLU 56 0.309 -13.802 -6.775 486 HA GLU 56 HA GLU 56 1.950 -14.120 -4.497 487 HB2 GLU 56 HB2 GLU 56 3.786 -14.419 -6.150 488 HB3 GLU 56 HB3 GLU 56 2.348 -15.355 -6.542 489 HG2 GLU 56 HG2 GLU 56 1.722 -13.439 -8.153 490 HG3 GLU 56 HG3 GLU 56 3.365 -12.844 -7.911 491 H GLU 57 H GLU 57 1.540 -11.356 -6.676 492 HA GLU 57 HA GLU 57 3.504 -9.674 -5.379 493 HB2 GLU 57 HB2 GLU 57 1.203 -8.910 -7.237 494 HB3 GLU 57 HB3 GLU 57 2.608 -7.914 -6.845 495 HG2 GLU 57 HG2 GLU 57 4.085 -9.557 -7.952 496 HG3 GLU 57 HG3 GLU 57 2.689 -10.568 -8.322 497 H LEU 58 H LEU 58 -0.035 -9.902 -5.337 498 HA LEU 58 HA LEU 58 -0.743 -7.856 -3.581 499 HB2 LEU 58 HB2 LEU 58 -2.180 -10.501 -3.999 500 HB3 LEU 58 HB3 LEU 58 -2.870 -9.095 -3.198 501 HG LEU 58 HG LEU 58 -2.239 -9.462 -6.137 502 HD11 LEU 58 HD11 LEU 58 -4.574 -8.820 -6.447 503 HD12 LEU 58 HD12 LEU 58 -4.768 -8.607 -4.704 504 HD13 LEU 58 HD13 LEU 58 -4.434 -10.208 -5.369 505 HD21 LEU 58 HD21 LEU 58 -2.779 -6.816 -4.762 506 HD22 LEU 58 HD22 LEU 58 -2.796 -7.081 -6.509 507 HD23 LEU 58 HD23 LEU 58 -1.302 -7.295 -5.604 508 H GLU 59 H GLU 59 0.485 -11.066 -2.705 509 HA GLU 59 HA GLU 59 -0.317 -11.074 0.023 510 HB2 GLU 59 HB2 GLU 59 1.395 -12.815 0.359 511 HB3 GLU 59 HB3 GLU 59 0.460 -13.111 -1.098 512 HG2 GLU 59 HG2 GLU 59 2.285 -12.227 -2.477 513 HG3 GLU 59 HG3 GLU 59 3.226 -11.872 -1.031 514 H GLU 60 H GLU 60 2.481 -9.583 -1.585 515 HA GLU 60 HA GLU 60 3.796 -8.713 0.832 516 HB2 GLU 60 HB2 GLU 60 5.057 -8.985 -1.270 517 HB3 GLU 60 HB3 GLU 60 4.088 -7.741 -2.050 518 HG2 GLU 60 HG2 GLU 60 5.101 -6.003 -0.791 519 HG3 GLU 60 HG3 GLU 60 5.748 -7.126 0.400 520 H TYR 61 H TYR 61 1.442 -7.300 -1.427 521 HA TYR 61 HA TYR 61 1.241 -4.732 -0.204 522 HB2 TYR 61 HB2 TYR 61 0.435 -5.206 -2.530 523 HB3 TYR 61 HB3 TYR 61 -0.881 -6.167 -1.858 524 HD1 TYR 61 HD2 TYR 61 0.590 -2.732 -1.807 525 HD2 TYR 61 HD1 TYR 61 -2.946 -5.066 -1.229 526 HE1 TYR 61 HE2 TYR 61 -0.711 -0.688 -1.519 527 HE2 TYR 61 HE1 TYR 61 -4.249 -2.998 -0.925 528 HH TYR 61 HH TYR 61 -3.823 -0.657 -0.266 529 H ASP 62 H ASP 62 -0.253 -7.815 0.458 530 HA ASP 62 HA ASP 62 -2.430 -7.091 2.088 531 HB2 ASP 62 HB2 ASP 62 -1.470 -9.441 1.060 532 HB3 ASP 62 HB3 ASP 62 -0.900 -9.627 2.707 533 H SER 63 H SER 63 0.982 -7.498 2.723 534 HA SER 63 HA SER 63 0.922 -7.307 5.594 535 HB2 SER 63 HB2 SER 63 3.281 -6.953 3.695 536 HB3 SER 63 HB3 SER 63 3.368 -7.300 5.426 537 HG SER 63 HG SER 63 1.821 -9.134 4.202 538 H LEU 64 H LEU 64 1.208 -4.973 2.959 539 HA LEU 64 HA LEU 64 2.378 -2.811 4.403 540 HB2 LEU 64 HB2 LEU 64 2.399 -3.019 1.918 541 HB3 LEU 64 HB3 LEU 64 0.668 -2.739 1.890 542 HG LEU 64 HG LEU 64 1.047 -0.447 2.825 543 HD11 LEU 64 HD11 LEU 64 3.997 -1.058 2.475 544 HD12 LEU 64 HD12 LEU 64 3.149 -0.805 4.003 545 HD13 LEU 64 HD13 LEU 64 3.309 0.524 2.858 546 HD21 LEU 64 HD21 LEU 64 2.534 -0.992 0.233 547 HD22 LEU 64 HD22 LEU 64 1.919 0.577 0.764 548 HD23 LEU 64 HD23 LEU 64 0.796 -0.731 0.404 549 H LEU 65 H LEU 65 -0.938 -3.853 3.918 550 HA LEU 65 HA LEU 65 -2.269 -1.541 4.968 551 HB2 LEU 65 HB2 LEU 65 -3.287 -4.401 4.814 552 HB3 LEU 65 HB3 LEU 65 -4.272 -2.945 4.955 553 HG LEU 65 HG LEU 65 -2.551 -3.702 2.553 554 HD11 LEU 65 HD11 LEU 65 -4.641 -4.048 1.370 555 HD12 LEU 65 HD12 LEU 65 -5.561 -3.676 2.830 556 HD13 LEU 65 HD13 LEU 65 -4.534 -5.111 2.772 557 HD21 LEU 65 HD21 LEU 65 -3.591 -1.765 1.422 558 HD22 LEU 65 HD22 LEU 65 -2.623 -1.272 2.808 559 HD23 LEU 65 HD23 LEU 65 -4.385 -1.307 2.933 560 H ASN 66 H ASN 66 -0.656 -4.203 6.476 561 HA ASN 66 HA ASN 66 -1.885 -3.946 9.101 562 HB2 ASN 66 HB2 ASN 66 0.630 -5.448 8.243 563 HB3 ASN 66 HB3 ASN 66 -0.193 -5.619 9.795 564 HD21 ASN 66 HD21 ASN 66 0.359 -7.616 7.717 565 HD22 ASN 66 HD22 ASN 66 -1.174 -8.280 7.282 566 H GLU 67 H GLU 67 0.432 -2.154 7.398 567 HA GLU 67 HA GLU 67 2.210 -1.562 9.626 568 HB2 GLU 67 HB2 GLU 67 2.190 -0.349 6.831 569 HB3 GLU 67 HB3 GLU 67 3.479 -0.201 8.025 570 HG2 GLU 67 HG2 GLU 67 2.601 -2.710 6.568 571 HG3 GLU 67 HG3 GLU 67 4.112 -1.829 6.346 572 H LEU 68 H LEU 68 2.813 0.810 9.915 573 HA LEU 68 HA LEU 68 0.470 2.065 11.079 574 HB2 LEU 68 HB2 LEU 68 3.380 2.955 11.143 575 HB3 LEU 68 HB3 LEU 68 2.096 3.495 12.216 576 HG LEU 68 HG LEU 68 3.241 0.671 12.118 577 HD11 LEU 68 HD11 LEU 68 4.845 2.267 13.066 578 HD12 LEU 68 HD12 LEU 68 4.240 1.167 14.301 579 HD13 LEU 68 HD13 LEU 68 3.633 2.824 14.225 580 HD21 LEU 68 HD21 LEU 68 1.884 0.245 14.134 581 HD22 LEU 68 HD22 LEU 68 0.879 0.638 12.743 582 HD23 LEU 68 HD23 LEU 68 1.163 1.851 13.993 583 H ASP 69 H ASP 69 -0.592 3.814 10.276 584 HA ASP 69 HA ASP 69 -0.602 4.678 7.709 585 HB2 ASP 69 HB2 ASP 69 -1.396 6.177 10.219 586 HB3 ASP 69 HB3 ASP 69 -1.687 6.860 8.618 587 H TRP 70 H TRP 70 0.886 6.799 10.241 588 HA TRP 70 HA TRP 70 1.962 8.682 8.430 589 HB2 TRP 70 HB2 TRP 70 2.722 8.034 11.296 590 HB3 TRP 70 HB3 TRP 70 3.532 9.303 10.386 591 HD1 TRP 70 HD1 TRP 70 0.520 8.761 12.533 592 HE1 TRP 70 HE1 TRP 70 -0.962 10.863 12.498 593 HE3 TRP 70 HE3 TRP 70 2.687 11.231 8.598 594 HZ2 TRP 70 HZ2 TRP 70 -1.194 13.247 11.009 595 HZ3 TRP 70 HZ3 TRP 70 1.768 13.417 7.930 596 HH2 TRP 70 HH2 TRP 70 -0.137 14.399 9.107 597 H ASP 71 H ASP 71 3.347 5.665 9.703 598 HA ASP 71 HA ASP 71 6.017 6.087 8.804 599 HB2 ASP 71 HB2 ASP 71 4.487 3.549 9.509 600 HB3 ASP 71 HB3 ASP 71 6.208 3.567 9.118 601 H ILE 72 H ILE 72 3.249 4.341 7.336 602 HA ILE 72 HA ILE 72 4.402 3.460 4.933 603 HB ILE 72 HB ILE 72 1.535 4.427 5.377 604 HG12 ILE 72 HG12 ILE 72 2.593 1.568 5.484 605 HG13 ILE 72 HG13 ILE 72 2.249 2.551 6.901 606 HG21 ILE 72 HG21 ILE 72 2.611 2.674 3.133 607 HG22 ILE 72 HG22 ILE 72 2.030 4.333 2.974 608 HG23 ILE 72 HG23 ILE 72 0.907 3.048 3.414 609 HD11 ILE 72 HD11 ILE 72 -0.126 2.632 6.256 610 HD12 ILE 72 HD12 ILE 72 0.456 0.982 6.476 611 HD13 ILE 72 HD13 ILE 72 0.235 1.623 4.850 612 H TYR 73 H TYR 73 2.830 6.532 5.751 613 HA TYR 73 HA TYR 73 2.924 7.771 3.220 614 HB2 TYR 73 HB2 TYR 73 1.413 8.516 5.022 615 HB3 TYR 73 HB3 TYR 73 2.790 9.010 6.002 616 HD1 TYR 73 HD2 TYR 73 1.201 9.673 2.658 617 HD2 TYR 73 HD1 TYR 73 3.506 11.274 5.889 618 HE1 TYR 73 HE2 TYR 73 1.142 11.890 1.601 619 HE2 TYR 73 HE1 TYR 73 3.453 13.489 4.829 620 HH TYR 73 HH TYR 73 1.397 14.251 2.219 621 H TYR 74 H TYR 74 5.225 7.829 5.952 622 HA TYR 74 HA TYR 74 6.942 9.819 4.763 623 HB2 TYR 74 HB2 TYR 74 7.332 8.007 7.165 624 HB3 TYR 74 HB3 TYR 74 8.518 9.203 6.654 625 HD1 TYR 74 HD1 TYR 74 6.591 11.452 5.879 626 HD2 TYR 74 HD2 TYR 74 6.734 8.911 9.308 627 HE1 TYR 74 HE1 TYR 74 5.473 13.185 7.216 628 HE2 TYR 74 HE2 TYR 74 5.619 10.636 10.640 629 HH TYR 74 HH TYR 74 5.248 13.053 10.623 630 H TRP 75 H TRP 75 7.074 6.246 5.001 631 HA TRP 75 HA TRP 75 9.567 5.879 3.712 632 HB2 TRP 75 HB2 TRP 75 7.141 4.034 3.603 633 HB3 TRP 75 HB3 TRP 75 8.787 3.583 3.182 634 HD1 TRP 75 HD1 TRP 75 10.044 5.037 5.936 635 HE1 TRP 75 HE1 TRP 75 9.787 3.738 8.137 636 HE3 TRP 75 HE3 TRP 75 6.250 1.863 4.587 637 HZ2 TRP 75 HZ2 TRP 75 8.204 1.653 9.178 638 HZ3 TRP 75 HZ3 TRP 75 5.426 0.235 6.248 639 HH2 TRP 75 HH2 TRP 75 6.386 0.133 8.498 640 H ALA 76 H ALA 76 6.280 6.287 2.473 641 HA ALA 76 HA ALA 76 6.807 5.899 -0.299 642 HB1 ALA 76 HB1 ALA 76 4.577 5.663 0.706 643 HB2 ALA 76 HB2 ALA 76 4.559 6.805 -0.640 644 HB3 ALA 76 HB3 ALA 76 4.530 7.398 1.026 645 H THR 77 H THR 77 6.890 8.810 1.759 646 HA THR 77 HA THR 77 7.447 10.574 -0.537 647 HB THR 77 HB THR 77 7.408 12.432 1.135 648 HG1 THR 77 HG1 THR 77 6.726 11.883 3.301 649 HG21 THR 77 HG21 THR 77 4.980 10.605 1.317 650 HG22 THR 77 HG22 THR 77 5.288 11.788 0.042 651 HG23 THR 77 HG23 THR 77 5.004 12.331 1.697 652 H LYS 78 H LYS 78 9.293 8.483 1.080 653 HA LYS 78 HA LYS 78 11.471 8.100 1.440 654 HB2 LYS 78 HB2 LYS 78 11.687 9.150 -0.868 655 HB3 LYS 78 HB3 LYS 78 12.067 10.676 -0.079 656 HG2 LYS 78 HG2 LYS 78 14.040 9.520 1.006 657 HG3 LYS 78 HG3 LYS 78 13.689 8.112 0.002 658 HD2 LYS 78 HD2 LYS 78 14.128 9.387 -2.026 659 HD3 LYS 78 HD3 LYS 78 14.301 10.885 -1.101 660 HE2 LYS 78 HE2 LYS 78 16.301 9.915 0.039 661 HE3 LYS 78 HE3 LYS 78 16.137 8.461 -0.949 662 HZ1 LYS 78 HZ1 LYS 78 16.526 9.766 -2.910 663 HZ2 LYS 78 HZ2 LYS 78 17.790 10.015 -1.814 664 HZ3 LYS 78 HZ3 LYS 78 16.591 11.192 -2.007 665 H ASN 79 H ASN 79 9.842 10.177 3.139 666 HA ASN 79 HA ASN 79 11.893 11.675 4.547 667 HB2 ASN 79 HB2 ASN 79 9.534 12.515 4.174 668 HB3 ASN 79 HB3 ASN 79 8.949 11.272 5.265 669 HD21 ASN 79 HD21 ASN 79 9.278 11.534 7.494 670 HD22 ASN 79 HD22 ASN 79 9.812 13.027 8.185 671 H PHE 80 H PHE 80 13.047 9.481 4.838 672 HA PHE 80 HA PHE 80 12.095 7.610 6.804 673 HB2 PHE 80 HB2 PHE 80 14.860 7.935 5.564 674 HB3 PHE 80 HB3 PHE 80 14.374 6.582 6.582 675 HD1 PHE 80 HD1 PHE 80 12.151 5.327 5.759 676 HD2 PHE 80 HD2 PHE 80 14.732 7.612 3.224 677 HE1 PHE 80 HE1 PHE 80 11.328 4.097 3.801 678 HE2 PHE 80 HE2 PHE 80 13.891 6.373 1.268 679 HZ PHE 80 HZ PHE 80 12.190 4.614 1.557 680 H LYS 81 H LYS 81 13.595 10.631 7.066 681 HA LYS 81 HA LYS 81 15.236 10.416 9.325 682 HB2 LYS 81 HB2 LYS 81 14.962 12.864 9.535 683 HB3 LYS 81 HB3 LYS 81 15.222 12.392 7.860 684 HG2 LYS 81 HG2 LYS 81 12.748 12.598 7.465 685 HG3 LYS 81 HG3 LYS 81 12.568 13.174 9.122 686 HD2 LYS 81 HD2 LYS 81 12.581 15.094 7.645 687 HD3 LYS 81 HD3 LYS 81 14.088 15.101 8.566 688 HE2 LYS 81 HE2 LYS 81 15.287 14.159 6.624 689 HE3 LYS 81 HE3 LYS 81 13.779 14.097 5.706 690 HZ1 LYS 81 HZ1 LYS 81 13.650 16.521 5.891 691 HZ2 LYS 81 HZ2 LYS 81 15.053 16.021 5.093 692 HZ3 LYS 81 HZ3 LYS 81 15.134 16.548 6.701 693 H THR 82 H THR 82 11.712 10.839 9.106 694 HA THR 82 HA THR 82 11.381 11.084 12.013 695 HB THR 82 HB THR 82 9.233 10.994 9.846 696 HG1 THR 82 HG1 THR 82 9.659 13.435 10.963 697 HG21 THR 82 HG21 THR 82 7.788 12.085 11.536 698 HG22 THR 82 HG22 THR 82 9.085 11.973 12.730 699 HG23 THR 82 HG23 THR 82 8.335 10.502 12.100 700 H SER 83 H SER 83 10.297 8.917 9.380 701 HA SER 83 HA SER 83 9.845 6.724 11.323 702 HB2 SER 83 HB2 SER 83 8.547 7.296 8.640 703 HB3 SER 83 HB3 SER 83 8.419 5.722 9.435 704 HG SER 83 HG SER 83 7.093 6.540 10.846 705 HA PRO 84 HA PRO 84 13.608 5.150 9.232 706 HB2 PRO 84 HB2 PRO 84 14.143 3.142 11.019 707 HB3 PRO 84 HB3 PRO 84 14.537 4.837 11.339 708 HG2 PRO 84 HG2 PRO 84 12.142 3.244 12.261 709 HG3 PRO 84 HG3 PRO 84 13.186 4.330 13.205 710 HD2 PRO 84 HD2 PRO 84 10.784 5.145 12.245 711 HD3 PRO 84 HD3 PRO 84 12.165 6.256 12.365 712 H LEU 85 H LEU 85 13.991 3.405 7.862 713 HA LEU 85 HA LEU 85 11.674 1.869 7.047 714 HB2 LEU 85 HB2 LEU 85 13.235 3.008 5.437 715 HB3 LEU 85 HB3 LEU 85 14.493 1.875 5.901 716 HG LEU 85 HG LEU 85 13.105 -0.007 5.029 717 HD11 LEU 85 HD11 LEU 85 11.104 0.444 3.677 718 HD12 LEU 85 HD12 LEU 85 11.196 2.159 4.088 719 HD13 LEU 85 HD13 LEU 85 10.877 0.963 5.346 720 HD21 LEU 85 HD21 LEU 85 13.412 0.456 2.640 721 HD22 LEU 85 HD22 LEU 85 14.797 1.029 3.567 722 HD23 LEU 85 HD23 LEU 85 13.596 2.182 2.976 723 HA PRO 86 HA PRO 86 13.076 -1.820 9.424 724 HB2 PRO 86 HB2 PRO 86 10.715 -3.166 8.210 725 HB3 PRO 86 HB3 PRO 86 11.069 -2.856 9.913 726 HG2 PRO 86 HG2 PRO 86 9.114 -1.526 8.613 727 HG3 PRO 86 HG3 PRO 86 10.097 -0.743 9.871 728 HD2 PRO 86 HD2 PRO 86 10.391 -0.571 6.861 729 HD3 PRO 86 HD3 PRO 86 10.412 0.740 8.068 730 H ASP 87 H ASP 87 13.820 -3.983 8.899 731 HA ASP 87 HA ASP 87 15.100 -4.325 6.400 732 HB2 ASP 87 HB2 ASP 87 14.526 -6.366 8.594 733 HB3 ASP 87 HB3 ASP 87 15.634 -6.627 7.247 734 H LYS 88 H LYS 88 12.048 -5.593 7.664 735 HA LYS 88 HA LYS 88 11.417 -7.165 5.328 736 HB2 LYS 88 HB2 LYS 88 9.077 -7.282 6.465 737 HB3 LYS 88 HB3 LYS 88 10.443 -8.050 7.250 738 HG2 LYS 88 HG2 LYS 88 9.258 -7.022 9.001 739 HG3 LYS 88 HG3 LYS 88 10.630 -5.962 8.711 740 HD2 LYS 88 HD2 LYS 88 8.757 -4.541 9.067 741 HD3 LYS 88 HD3 LYS 88 9.072 -4.491 7.335 742 HE2 LYS 88 HE2 LYS 88 6.961 -6.278 8.585 743 HE3 LYS 88 HE3 LYS 88 6.628 -4.641 8.030 744 HZ1 LYS 88 HZ1 LYS 88 6.008 -6.198 6.355 745 HZ2 LYS 88 HZ2 LYS 88 7.528 -6.923 6.367 746 HZ3 LYS 88 HZ3 LYS 88 7.357 -5.341 5.797 747 H TRP 89 H TRP 89 11.576 -3.883 5.467 748 HA TRP 89 HA TRP 89 10.020 -3.798 2.951 749 HB2 TRP 89 HB2 TRP 89 10.077 -1.562 5.023 750 HB3 TRP 89 HB3 TRP 89 9.475 -1.366 3.382 751 HD1 TRP 89 HD1 TRP 89 8.186 -1.945 6.714 752 HE1 TRP 89 HE1 TRP 89 5.862 -2.996 6.663 753 HE3 TRP 89 HE3 TRP 89 8.029 -3.428 1.810 754 HZ2 TRP 89 HZ2 TRP 89 4.154 -4.281 4.832 755 HZ3 TRP 89 HZ3 TRP 89 6.005 -4.562 0.986 756 HH2 TRP 89 HH2 TRP 89 4.105 -4.977 2.473 757 H ALA 90 H ALA 90 13.017 -3.806 4.141 758 HA ALA 90 HA ALA 90 14.265 -1.485 3.055 759 HB1 ALA 90 HB1 ALA 90 15.512 -4.146 3.800 760 HB2 ALA 90 HB2 ALA 90 15.269 -2.774 4.885 761 HB3 ALA 90 HB3 ALA 90 16.381 -2.633 3.521 762 H ASN 91 H ASN 91 14.207 -1.044 0.954 763 HA ASN 91 HA ASN 91 14.365 -1.103 -1.296 764 HB2 ASN 91 HB2 ASN 91 16.171 -3.511 -0.803 765 HB3 ASN 91 HB3 ASN 91 16.027 -2.666 -2.343 766 HD21 ASN 91 HD21 ASN 91 18.347 -3.032 -0.498 767 HD22 ASN 91 HD22 ASN 91 18.927 -1.436 -0.195 768 H SER 92 H SER 92 12.217 -2.664 0.067 769 HA SER 92 HA SER 92 11.535 -4.948 -1.492 770 HB2 SER 92 HB2 SER 92 9.268 -4.752 -0.530 771 HB3 SER 92 HB3 SER 92 10.494 -4.531 0.718 772 HG SER 92 HG SER 92 9.898 -2.509 0.966 773 H LYS 93 H LYS 93 10.227 -5.196 -3.274 774 HA LYS 93 HA LYS 93 10.383 -3.278 -5.323 775 HB2 LYS 93 HB2 LYS 93 10.317 -5.785 -5.551 776 HB3 LYS 93 HB3 LYS 93 8.606 -5.756 -5.161 777 HG2 LYS 93 HG2 LYS 93 9.624 -4.189 -7.532 778 HG3 LYS 93 HG3 LYS 93 9.433 -5.937 -7.662 779 HD2 LYS 93 HD2 LYS 93 7.028 -5.700 -7.043 780 HD3 LYS 93 HD3 LYS 93 7.233 -3.946 -6.974 781 HE2 LYS 93 HE2 LYS 93 6.241 -4.639 -9.112 782 HE3 LYS 93 HE3 LYS 93 7.826 -3.912 -9.363 783 HZ1 LYS 93 HZ1 LYS 93 7.270 -6.830 -9.308 784 HZ2 LYS 93 HZ2 LYS 93 8.770 -6.111 -9.614 785 HZ3 LYS 93 HZ3 LYS 93 7.493 -5.899 -10.703 786 H LEU 94 H LEU 94 7.630 -4.272 -3.300 787 HA LEU 94 HA LEU 94 5.568 -2.715 -4.370 788 HB2 LEU 94 HB2 LEU 94 5.324 -4.507 -2.639 789 HB3 LEU 94 HB3 LEU 94 6.034 -3.426 -1.453 790 HG LEU 94 HG LEU 94 4.075 -1.839 -1.872 791 HD11 LEU 94 HD11 LEU 94 2.035 -2.769 -2.877 792 HD12 LEU 94 HD12 LEU 94 2.916 -4.228 -3.339 793 HD13 LEU 94 HD13 LEU 94 3.350 -2.666 -4.046 794 HD21 LEU 94 HD21 LEU 94 3.443 -4.576 -0.736 795 HD22 LEU 94 HD22 LEU 94 2.528 -3.094 -0.438 796 HD23 LEU 94 HD23 LEU 94 4.192 -3.229 0.125 797 H LEU 95 H LEU 95 7.923 -1.872 -1.807 798 HA LEU 95 HA LEU 95 6.944 0.702 -1.173 799 HB2 LEU 95 HB2 LEU 95 8.539 -0.483 0.277 800 HB3 LEU 95 HB3 LEU 95 9.774 -0.381 -0.967 801 HG LEU 95 HG LEU 95 9.708 2.138 -0.749 802 HD11 LEU 95 HD11 LEU 95 8.668 3.156 1.215 803 HD12 LEU 95 HD12 LEU 95 7.954 1.605 1.662 804 HD13 LEU 95 HD13 LEU 95 7.468 2.406 0.163 805 HD21 LEU 95 HD21 LEU 95 10.458 0.632 1.775 806 HD22 LEU 95 HD22 LEU 95 11.014 2.247 1.321 807 HD23 LEU 95 HD23 LEU 95 11.472 0.854 0.344 808 H LYS 96 H LYS 96 9.431 -0.331 -3.514 809 HA LYS 96 HA LYS 96 10.299 2.186 -4.411 810 HB2 LYS 96 HB2 LYS 96 10.154 -0.458 -5.917 811 HB3 LYS 96 HB3 LYS 96 11.013 0.968 -6.507 812 HG2 LYS 96 HG2 LYS 96 12.465 0.892 -4.483 813 HG3 LYS 96 HG3 LYS 96 11.637 -0.585 -3.971 814 HD2 LYS 96 HD2 LYS 96 12.426 -1.745 -5.998 815 HD3 LYS 96 HD3 LYS 96 13.203 -0.261 -6.566 816 HE2 LYS 96 HE2 LYS 96 14.691 -0.319 -4.557 817 HE3 LYS 96 HE3 LYS 96 13.946 -1.846 -4.076 818 HZ1 LYS 96 HZ1 LYS 96 14.721 -2.806 -6.169 819 HZ2 LYS 96 HZ2 LYS 96 15.998 -2.234 -5.225 820 HZ3 LYS 96 HZ3 LYS 96 15.480 -1.348 -6.569 821 H GLN 97 H GLN 97 7.636 0.147 -5.614 822 HA GLN 97 HA GLN 97 6.640 1.861 -7.637 823 HB2 GLN 97 HB2 GLN 97 5.221 -0.198 -5.905 824 HB3 GLN 97 HB3 GLN 97 4.460 0.614 -7.272 825 HG2 GLN 97 HG2 GLN 97 6.142 -0.373 -8.784 826 HG3 GLN 97 HG3 GLN 97 6.877 -1.209 -7.414 827 HE21 GLN 97 HE21 GLN 97 5.498 -2.195 -9.898 828 HE22 GLN 97 HE22 GLN 97 4.306 -3.302 -9.320 829 H LEU 98 H LEU 98 5.897 1.641 -4.164 830 HA LEU 98 HA LEU 98 3.697 3.436 -4.072 831 HB2 LEU 98 HB2 LEU 98 4.258 1.710 -2.345 832 HB3 LEU 98 HB3 LEU 98 5.640 2.672 -1.853 833 HG LEU 98 HG LEU 98 4.065 4.500 -1.140 834 HD11 LEU 98 HD11 LEU 98 2.171 4.013 -2.591 835 HD12 LEU 98 HD12 LEU 98 1.667 4.023 -0.903 836 HD13 LEU 98 HD13 LEU 98 1.883 2.486 -1.748 837 HD21 LEU 98 HD21 LEU 98 3.281 3.395 0.918 838 HD22 LEU 98 HD22 LEU 98 4.929 2.914 0.522 839 HD23 LEU 98 HD23 LEU 98 3.588 1.811 0.197 840 H GLN 99 H GLN 99 7.165 3.946 -3.560 841 HA GLN 99 HA GLN 99 7.123 6.680 -2.815 842 HB2 GLN 99 HB2 GLN 99 9.323 5.034 -4.129 843 HB3 GLN 99 HB3 GLN 99 9.562 6.647 -3.450 844 HG2 GLN 99 HG2 GLN 99 8.987 5.812 -1.220 845 HG3 GLN 99 HG3 GLN 99 8.671 4.208 -1.880 846 HE21 GLN 99 HE21 GLN 99 10.613 5.071 0.164 847 HE22 GLN 99 HE22 GLN 99 12.148 4.528 -0.401 848 H GLU 100 H GLU 100 7.704 5.119 -5.963 849 HA GLU 100 HA GLU 100 7.912 7.530 -7.493 850 HB2 GLU 100 HB2 GLU 100 7.346 4.667 -8.384 851 HB3 GLU 100 HB3 GLU 100 7.727 6.003 -9.475 852 HG2 GLU 100 HG2 GLU 100 9.929 6.250 -8.364 853 HG3 GLU 100 HG3 GLU 100 9.555 4.873 -7.330 854 H PHE 101 H PHE 101 5.200 5.560 -6.470 855 HA PHE 101 HA PHE 101 3.256 6.781 -8.212 856 HB2 PHE 101 HB2 PHE 101 2.758 4.562 -7.323 857 HB3 PHE 101 HB3 PHE 101 2.829 5.162 -5.665 858 HD1 PHE 101 HD2 PHE 101 0.999 5.766 -8.898 859 HD2 PHE 101 HD1 PHE 101 0.800 5.831 -4.623 860 HE1 PHE 101 HE2 PHE 101 -1.364 6.415 -9.009 861 HE2 PHE 101 HE1 PHE 101 -1.564 6.488 -4.755 862 HZ PHE 101 HZ PHE 101 -2.646 6.782 -6.946 863 H SER 102 H SER 102 4.392 7.463 -4.896 864 HA SER 102 HA SER 102 2.462 9.301 -4.065 865 HB2 SER 102 HB2 SER 102 5.442 9.339 -3.447 866 HB3 SER 102 HB3 SER 102 4.217 10.251 -2.563 867 HG SER 102 HG SER 102 4.925 7.647 -2.347 868 H GLU 103 H GLU 103 5.372 9.906 -6.014 869 HA GLU 103 HA GLU 103 4.763 12.695 -6.475 870 HB2 GLU 103 HB2 GLU 103 6.678 12.567 -8.116 871 HB3 GLU 103 HB3 GLU 103 7.067 12.132 -6.457 872 HG2 GLU 103 HG2 GLU 103 6.969 9.738 -7.086 873 HG3 GLU 103 HG3 GLU 103 6.627 10.204 -8.752 874 H ASN 104 H ASN 104 3.553 9.856 -7.851 875 HA ASN 104 HA ASN 104 2.573 11.279 -10.267 876 HB2 ASN 104 HB2 ASN 104 3.102 8.312 -9.846 877 HB3 ASN 104 HB3 ASN 104 2.287 8.971 -11.265 878 HD21 ASN 104 HD21 ASN 104 4.834 7.518 -11.078 879 HD22 ASN 104 HD22 ASN 104 6.024 8.562 -11.763 880 H LYS 105 H LYS 105 1.375 10.913 -7.364 881 HA LYS 105 HA LYS 105 -1.185 9.684 -7.771 882 HB2 LYS 105 HB2 LYS 105 -0.309 11.788 -5.735 883 HB3 LYS 105 HB3 LYS 105 -1.905 11.041 -5.740 884 HG2 LYS 105 HG2 LYS 105 -0.782 8.814 -5.471 885 HG3 LYS 105 HG3 LYS 105 0.751 9.659 -5.282 886 HD2 LYS 105 HD2 LYS 105 -1.639 10.192 -3.479 887 HD3 LYS 105 HD3 LYS 105 -0.476 8.913 -3.140 888 HE2 LYS 105 HE2 LYS 105 0.127 10.826 -1.820 889 HE3 LYS 105 HE3 LYS 105 1.333 10.666 -3.092 890 HZ1 LYS 105 HZ1 LYS 105 0.277 12.443 -4.292 891 HZ2 LYS 105 HZ2 LYS 105 0.644 12.954 -2.728 892 HZ3 LYS 105 HZ3 LYS 105 -0.950 12.558 -3.133 893 H GLU 106 H GLU 106 -0.200 13.115 -7.716 894 HA GLU 106 HA GLU 106 -2.494 13.847 -9.465 895 HB2 GLU 106 HB2 GLU 106 -1.081 15.541 -7.351 896 HB3 GLU 106 HB3 GLU 106 -2.392 16.095 -8.392 897 HG2 GLU 106 HG2 GLU 106 -3.936 14.516 -7.341 898 HG3 GLU 106 HG3 GLU 106 -2.628 13.860 -6.353 899 H LYS 107 H LYS 107 0.483 13.064 -9.904 900 HA LYS 107 HA LYS 107 2.300 13.516 -11.089 901 HB2 LYS 107 HB2 LYS 107 0.278 13.985 -12.788 902 HB3 LYS 107 HB3 LYS 107 0.939 15.608 -12.769 903 HG2 LYS 107 HG2 LYS 107 2.463 13.086 -13.512 904 HG3 LYS 107 HG3 LYS 107 1.776 14.237 -14.660 905 HD2 LYS 107 HD2 LYS 107 3.328 15.989 -13.849 906 HD3 LYS 107 HD3 LYS 107 3.983 14.873 -12.649 907 HE2 LYS 107 HE2 LYS 107 4.793 13.404 -14.488 908 HE3 LYS 107 HE3 LYS 107 4.180 14.564 -15.670 909 HZ1 LYS 107 HZ1 LYS 107 6.535 14.849 -15.300 910 HZ2 LYS 107 HZ2 LYS 107 6.292 15.105 -13.646 911 HZ3 LYS 107 HZ3 LYS 107 5.698 16.215 -14.772 912 H GLU 108 H GLU 108 3.822 14.406 -9.903 913 HA GLU 108 HA GLU 108 4.239 17.309 -9.855 914 HB2 GLU 108 HB2 GLU 108 4.734 17.301 -7.426 915 HB3 GLU 108 HB3 GLU 108 3.072 16.796 -7.713 916 HG2 GLU 108 HG2 GLU 108 3.704 14.455 -7.386 917 HG3 GLU 108 HG3 GLU 108 5.388 14.914 -7.179 918 H ILE 109 H ILE 109 6.543 17.532 -8.482 919 HA ILE 109 HA ILE 109 8.552 16.109 -9.994 920 HB ILE 109 HB ILE 109 8.816 17.996 -7.606 921 HG12 ILE 109 HG12 ILE 109 9.901 19.539 -9.363 922 HG13 ILE 109 HG13 ILE 109 9.325 18.423 -10.591 923 HG21 ILE 109 HG21 ILE 109 10.710 16.460 -7.538 924 HG22 ILE 109 HG22 ILE 109 11.261 18.057 -8.039 925 HG23 ILE 109 HG23 ILE 109 11.071 16.774 -9.238 926 HD11 ILE 109 HD11 ILE 109 7.598 20.019 -8.698 927 HD12 ILE 109 HD12 ILE 109 7.020 18.926 -9.961 928 HD13 ILE 109 HD13 ILE 109 7.913 20.382 -10.395 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -5.187 -59.353 8.564 2 H2 MET 1 H2 MET 1 -5.155 -60.606 9.695 3 H3 MET 1 H3 MET 1 -3.870 -60.411 8.613 4 HA MET 1 HA MET 1 -4.657 -58.445 10.690 5 HB2 MET 1 HB2 MET 1 -2.663 -59.182 11.946 6 HB3 MET 1 HB3 MET 1 -3.760 -60.533 11.695 7 HG2 MET 1 HG2 MET 1 -2.328 -61.326 9.835 8 HG3 MET 1 HG3 MET 1 -1.224 -59.984 10.133 9 HE1 MET 1 HE1 MET 1 -1.879 -63.528 13.044 10 HE2 MET 1 HE2 MET 1 -2.666 -63.378 11.472 11 HE3 MET 1 HE3 MET 1 -3.123 -62.303 12.795 12 H GLY 2 H GLY 2 -2.506 -57.049 11.163 13 HA2 GLY 2 HA2 GLY 2 -0.311 -56.602 9.840 14 HA3 GLY 2 HA3 GLY 2 -1.416 -56.129 8.560 15 H HIS 3 H HIS 3 0.124 -54.241 8.936 16 HA HIS 3 HA HIS 3 -0.606 -52.417 11.088 17 HB2 HIS 3 HB2 HIS 3 1.032 -50.845 9.760 18 HB3 HIS 3 HB3 HIS 3 1.680 -52.215 10.646 19 HD1 HIS 3 HD1 HIS 3 0.637 -51.407 7.065 20 HD2 HIS 3 HD2 HIS 3 3.361 -53.763 9.143 21 HE1 HIS 3 HE1 HIS 3 2.063 -52.490 5.311 22 HE2 HIS 3 HE2 HIS 3 3.578 -54.038 6.573 23 H HIS 4 H HIS 4 -2.726 -51.875 10.804 24 HA HIS 4 HA HIS 4 -3.729 -50.763 8.277 25 HB2 HIS 4 HB2 HIS 4 -5.207 -51.108 10.928 26 HB3 HIS 4 HB3 HIS 4 -5.926 -50.823 9.347 27 HD1 HIS 4 HD1 HIS 4 -5.666 -52.869 7.605 28 HD2 HIS 4 HD2 HIS 4 -4.873 -53.755 11.582 29 HE1 HIS 4 HE1 HIS 4 -5.768 -55.375 7.768 30 HE2 HIS 4 HE2 HIS 4 -5.477 -55.865 10.216 31 H HIS 5 H HIS 5 -3.136 -48.667 7.923 32 HA HIS 5 HA HIS 5 -2.881 -46.743 10.146 33 HB2 HIS 5 HB2 HIS 5 -1.990 -46.493 7.241 34 HB3 HIS 5 HB3 HIS 5 -1.656 -45.327 8.520 35 HD1 HIS 5 HD1 HIS 5 0.013 -46.113 10.417 36 HD2 HIS 5 HD2 HIS 5 -0.260 -48.655 7.135 37 HE1 HIS 5 HE1 HIS 5 2.002 -47.633 10.579 38 HE2 HIS 5 HE2 HIS 5 1.908 -49.029 8.494 39 H HIS 6 H HIS 6 -3.673 -44.556 9.899 40 HA HIS 6 HA HIS 6 -6.349 -44.394 8.708 41 HB2 HIS 6 HB2 HIS 6 -6.014 -43.676 11.065 42 HB3 HIS 6 HB3 HIS 6 -4.855 -42.459 10.545 43 HD1 HIS 6 HD1 HIS 6 -8.551 -43.284 10.146 44 HD2 HIS 6 HD2 HIS 6 -5.985 -40.020 9.952 45 HE1 HIS 6 HE1 HIS 6 -10.033 -41.284 9.862 46 HE2 HIS 6 HE2 HIS 6 -8.464 -39.332 9.667 47 H HIS 7 H HIS 7 -7.014 -42.707 7.301 48 HA HIS 7 HA HIS 7 -5.008 -40.945 6.057 49 HB2 HIS 7 HB2 HIS 7 -5.727 -41.522 3.771 50 HB3 HIS 7 HB3 HIS 7 -5.132 -42.958 4.594 51 HD1 HIS 7 HD1 HIS 7 -8.152 -41.525 3.005 52 HD2 HIS 7 HD2 HIS 7 -7.167 -44.905 5.192 53 HE1 HIS 7 HE1 HIS 7 -10.080 -43.087 2.705 54 HE2 HIS 7 HE2 HIS 7 -9.419 -45.172 3.940 55 H HIS 8 H HIS 8 -6.035 -39.189 4.753 56 HA HIS 8 HA HIS 8 -8.416 -38.083 5.973 57 HB2 HIS 8 HB2 HIS 8 -6.588 -37.119 3.742 58 HB3 HIS 8 HB3 HIS 8 -8.046 -36.240 4.186 59 HD1 HIS 8 HD1 HIS 8 -7.887 -34.666 6.115 60 HD2 HIS 8 HD2 HIS 8 -4.610 -37.210 5.902 61 HE1 HIS 8 HE1 HIS 8 -6.274 -33.825 7.838 62 HE2 HIS 8 HE2 HIS 8 -4.394 -35.499 7.824 63 H SER 9 H SER 9 -10.244 -37.252 4.645 64 HA SER 9 HA SER 9 -11.492 -39.369 3.190 65 HB2 SER 9 HB2 SER 9 -12.413 -36.479 3.501 66 HB3 SER 9 HB3 SER 9 -13.412 -37.840 2.978 67 HG SER 9 HG SER 9 -13.030 -37.017 5.422 68 H HIS 10 H HIS 10 -11.557 -36.043 1.839 69 HA HIS 10 HA HIS 10 -10.008 -36.727 -0.536 70 HB2 HIS 10 HB2 HIS 10 -12.998 -36.111 -0.771 71 HB3 HIS 10 HB3 HIS 10 -11.881 -36.129 -2.130 72 HD1 HIS 10 HD1 HIS 10 -14.040 -38.307 -0.124 73 HD2 HIS 10 HD2 HIS 10 -10.855 -38.776 -2.749 74 HE1 HIS 10 HE1 HIS 10 -14.023 -40.747 -0.720 75 HE2 HIS 10 HE2 HIS 10 -12.027 -41.026 -2.223 76 H MET 11 H MET 11 -9.234 -34.896 -1.606 77 HA MET 11 HA MET 11 -9.798 -32.240 -0.519 78 HB2 MET 11 HB2 MET 11 -7.850 -33.302 -2.604 79 HB3 MET 11 HB3 MET 11 -8.162 -31.573 -2.479 80 HG2 MET 11 HG2 MET 11 -7.119 -33.309 -0.227 81 HG3 MET 11 HG3 MET 11 -6.142 -32.248 -1.251 82 HE1 MET 11 HE1 MET 11 -5.141 -30.907 0.807 83 HE2 MET 11 HE2 MET 11 -6.004 -31.977 1.914 84 HE3 MET 11 HE3 MET 11 -6.120 -30.227 2.106 85 H ILE 12 H ILE 12 -11.564 -31.167 -1.199 86 HA ILE 12 HA ILE 12 -12.950 -31.771 -3.673 87 HB ILE 12 HB ILE 12 -13.518 -29.664 -1.528 88 HG12 ILE 12 HG12 ILE 12 -15.606 -31.137 -1.133 89 HG13 ILE 12 HG13 ILE 12 -14.845 -32.345 -2.157 90 HG21 ILE 12 HG21 ILE 12 -15.701 -29.251 -2.649 91 HG22 ILE 12 HG22 ILE 12 -15.205 -30.292 -3.985 92 HG23 ILE 12 HG23 ILE 12 -14.335 -28.789 -3.670 93 HD11 ILE 12 HD11 ILE 12 -14.587 -32.858 0.193 94 HD12 ILE 12 HD12 ILE 12 -13.778 -31.316 0.473 95 HD13 ILE 12 HD13 ILE 12 -13.016 -32.544 -0.542 96 H LYS 13 H LYS 13 -12.162 -31.012 -5.567 97 HA LYS 13 HA LYS 13 -10.493 -28.719 -5.872 98 HB2 LYS 13 HB2 LYS 13 -10.428 -30.609 -7.465 99 HB3 LYS 13 HB3 LYS 13 -12.084 -30.269 -7.957 100 HG2 LYS 13 HG2 LYS 13 -11.273 -27.983 -8.748 101 HG3 LYS 13 HG3 LYS 13 -9.630 -28.541 -8.438 102 HD2 LYS 13 HD2 LYS 13 -10.131 -28.787 -10.800 103 HD3 LYS 13 HD3 LYS 13 -9.983 -30.391 -10.076 104 HE2 LYS 13 HE2 LYS 13 -12.469 -30.536 -9.954 105 HE3 LYS 13 HE3 LYS 13 -12.585 -28.950 -10.723 106 HZ1 LYS 13 HZ1 LYS 13 -11.492 -29.857 -12.663 107 HZ2 LYS 13 HZ2 LYS 13 -12.888 -30.735 -12.297 108 HZ3 LYS 13 HZ3 LYS 13 -11.366 -31.371 -11.923 109 H ARG 14 H ARG 14 -11.426 -26.859 -5.144 110 HA ARG 14 HA ARG 14 -13.278 -25.524 -6.926 111 HB2 ARG 14 HB2 ARG 14 -14.883 -26.575 -5.382 112 HB3 ARG 14 HB3 ARG 14 -14.011 -25.950 -3.986 113 HG2 ARG 14 HG2 ARG 14 -14.619 -23.650 -4.604 114 HG3 ARG 14 HG3 ARG 14 -15.416 -24.230 -6.068 115 HD2 ARG 14 HD2 ARG 14 -17.125 -25.364 -4.753 116 HD3 ARG 14 HD3 ARG 14 -16.278 -24.981 -3.249 117 HE ARG 14 HE ARG 14 -16.874 -22.699 -3.505 118 HH11 ARG 14 HH11 ARG 14 -18.401 -24.696 -5.885 119 HH12 ARG 14 HH12 ARG 14 -19.585 -23.503 -6.272 120 HH21 ARG 14 HH21 ARG 14 -18.423 -21.199 -4.013 121 HH22 ARG 14 HH22 ARG 14 -19.607 -21.557 -5.212 122 H THR 15 H THR 15 -12.651 -23.442 -7.131 123 HA THR 15 HA THR 15 -10.480 -22.371 -5.563 124 HB THR 15 HB THR 15 -10.711 -20.328 -7.005 125 HG1 THR 15 HG1 THR 15 -12.859 -20.233 -7.502 126 HG21 THR 15 HG21 THR 15 -10.077 -21.389 -9.149 127 HG22 THR 15 HG22 THR 15 -10.676 -22.941 -8.563 128 HG23 THR 15 HG23 THR 15 -9.283 -22.185 -7.787 129 H ASN 16 H ASN 16 -11.537 -22.479 -3.490 130 HA ASN 16 HA ASN 16 -13.737 -20.791 -2.757 131 HB2 ASN 16 HB2 ASN 16 -11.638 -22.265 -1.110 132 HB3 ASN 16 HB3 ASN 16 -12.954 -21.344 -0.384 133 HD21 ASN 16 HD21 ASN 16 -12.337 -24.275 -0.358 134 HD22 ASN 16 HD22 ASN 16 -13.795 -25.025 -0.899 135 H GLU 17 H GLU 17 -13.752 -18.757 -1.995 136 HA GLU 17 HA GLU 17 -13.242 -16.584 -1.867 137 HB2 GLU 17 HB2 GLU 17 -11.904 -17.223 0.108 138 HB3 GLU 17 HB3 GLU 17 -10.509 -17.529 -0.921 139 HG2 GLU 17 HG2 GLU 17 -10.542 -15.113 -1.593 140 HG3 GLU 17 HG3 GLU 17 -11.840 -14.848 -0.430 141 HA PRO 18 HA PRO 18 -11.560 -16.318 -6.238 142 HB2 PRO 18 HB2 PRO 18 -13.226 -13.813 -5.848 143 HB3 PRO 18 HB3 PRO 18 -13.089 -14.863 -7.269 144 HG2 PRO 18 HG2 PRO 18 -15.230 -15.014 -5.676 145 HG3 PRO 18 HG3 PRO 18 -14.517 -16.486 -6.371 146 HD2 PRO 18 HD2 PRO 18 -14.333 -15.433 -3.562 147 HD3 PRO 18 HD3 PRO 18 -14.399 -17.113 -4.133 148 H LEU 19 H LEU 19 -9.797 -15.122 -6.884 149 HA LEU 19 HA LEU 19 -8.312 -13.545 -5.030 150 HB2 LEU 19 HB2 LEU 19 -7.707 -14.955 -7.316 151 HB3 LEU 19 HB3 LEU 19 -7.607 -13.318 -7.924 152 HG LEU 19 HG LEU 19 -5.422 -14.205 -7.237 153 HD11 LEU 19 HD11 LEU 19 -4.609 -12.360 -5.898 154 HD12 LEU 19 HD12 LEU 19 -6.257 -11.942 -5.415 155 HD13 LEU 19 HD13 LEU 19 -5.760 -11.790 -7.105 156 HD21 LEU 19 HD21 LEU 19 -6.483 -14.315 -4.396 157 HD22 LEU 19 HD22 LEU 19 -4.831 -14.667 -4.925 158 HD23 LEU 19 HD23 LEU 19 -6.157 -15.713 -5.428 159 H ASP 20 H ASP 20 -10.603 -12.754 -7.554 160 HA ASP 20 HA ASP 20 -10.474 -9.959 -7.587 161 HB2 ASP 20 HB2 ASP 20 -11.922 -11.277 -9.080 162 HB3 ASP 20 HB3 ASP 20 -12.923 -11.764 -7.713 163 H LYS 21 H LYS 21 -11.995 -12.099 -5.138 164 HA LYS 21 HA LYS 21 -13.031 -9.980 -3.482 165 HB2 LYS 21 HB2 LYS 21 -12.543 -12.917 -2.900 166 HB3 LYS 21 HB3 LYS 21 -13.224 -11.796 -1.714 167 HG2 LYS 21 HG2 LYS 21 -15.015 -11.262 -3.453 168 HG3 LYS 21 HG3 LYS 21 -14.411 -12.655 -4.363 169 HD2 LYS 21 HD2 LYS 21 -14.993 -14.160 -2.541 170 HD3 LYS 21 HD3 LYS 21 -15.405 -12.801 -1.485 171 HE2 LYS 21 HE2 LYS 21 -16.843 -13.504 -4.062 172 HE3 LYS 21 HE3 LYS 21 -17.420 -13.889 -2.438 173 HZ1 LYS 21 HZ1 LYS 21 -17.474 -11.500 -1.970 174 HZ2 LYS 21 HZ2 LYS 21 -18.486 -11.912 -3.258 175 HZ3 LYS 21 HZ3 LYS 21 -16.997 -11.167 -3.558 176 H LYS 22 H LYS 22 -10.014 -11.887 -3.447 177 HA LYS 22 HA LYS 22 -8.690 -10.796 -1.224 178 HB2 LYS 22 HB2 LYS 22 -7.685 -12.637 -2.429 179 HB3 LYS 22 HB3 LYS 22 -7.682 -11.742 -3.938 180 HG2 LYS 22 HG2 LYS 22 -5.420 -11.894 -3.157 181 HG3 LYS 22 HG3 LYS 22 -5.933 -10.211 -2.996 182 HD2 LYS 22 HD2 LYS 22 -6.254 -10.495 -0.609 183 HD3 LYS 22 HD3 LYS 22 -5.920 -12.222 -0.723 184 HE2 LYS 22 HE2 LYS 22 -3.593 -11.712 -1.412 185 HE3 LYS 22 HE3 LYS 22 -3.937 -9.986 -1.274 186 HZ1 LYS 22 HZ1 LYS 22 -4.097 -11.948 0.952 187 HZ2 LYS 22 HZ2 LYS 22 -4.332 -10.272 1.078 188 HZ3 LYS 22 HZ3 LYS 22 -2.810 -10.887 0.678 189 H ARG 23 H ARG 23 -8.805 -9.654 -4.568 190 HA ARG 23 HA ARG 23 -7.189 -7.372 -4.381 191 HB2 ARG 23 HB2 ARG 23 -7.927 -8.678 -6.449 192 HB3 ARG 23 HB3 ARG 23 -9.474 -7.848 -6.342 193 HG2 ARG 23 HG2 ARG 23 -8.398 -5.702 -6.766 194 HG3 ARG 23 HG3 ARG 23 -6.802 -6.456 -6.703 195 HD2 ARG 23 HD2 ARG 23 -8.955 -6.919 -8.804 196 HD3 ARG 23 HD3 ARG 23 -7.403 -6.100 -9.026 197 HE ARG 23 HE ARG 23 -7.369 -8.919 -8.199 198 HH11 ARG 23 HH11 ARG 23 -6.783 -6.642 -10.731 199 HH12 ARG 23 HH12 ARG 23 -5.997 -7.805 -11.733 200 HH21 ARG 23 HH21 ARG 23 -6.381 -10.390 -9.515 201 HH22 ARG 23 HH22 ARG 23 -5.783 -9.895 -11.058 202 H ALA 24 H ALA 24 -10.740 -7.714 -4.195 203 HA ALA 24 HA ALA 24 -11.382 -4.974 -3.811 204 HB1 ALA 24 HB1 ALA 24 -13.587 -5.771 -3.078 205 HB2 ALA 24 HB2 ALA 24 -12.954 -7.416 -2.925 206 HB3 ALA 24 HB3 ALA 24 -13.045 -6.650 -4.511 207 H ARG 25 H ARG 25 -10.684 -7.590 -1.500 208 HA ARG 25 HA ARG 25 -11.205 -6.329 0.951 209 HB2 ARG 25 HB2 ARG 25 -10.672 -8.744 0.759 210 HB3 ARG 25 HB3 ARG 25 -9.020 -8.353 0.291 211 HG2 ARG 25 HG2 ARG 25 -8.986 -7.111 2.661 212 HG3 ARG 25 HG3 ARG 25 -10.324 -8.209 3.010 213 HD2 ARG 25 HD2 ARG 25 -7.496 -8.964 2.192 214 HD3 ARG 25 HD3 ARG 25 -8.242 -9.192 3.777 215 HE ARG 25 HE ARG 25 -9.860 -10.570 2.066 216 HH11 ARG 25 HH11 ARG 25 -6.492 -10.748 2.875 217 HH12 ARG 25 HH12 ARG 25 -6.392 -12.422 2.456 218 HH21 ARG 25 HH21 ARG 25 -9.682 -12.663 1.515 219 HH22 ARG 25 HH22 ARG 25 -8.177 -13.491 1.679 220 H LEU 26 H LEU 26 -8.254 -6.309 -1.044 221 HA LEU 26 HA LEU 26 -6.586 -4.890 0.766 222 HB2 LEU 26 HB2 LEU 26 -6.421 -5.111 -2.249 223 HB3 LEU 26 HB3 LEU 26 -5.132 -4.520 -1.204 224 HG LEU 26 HG LEU 26 -6.261 -7.343 -1.166 225 HD11 LEU 26 HD11 LEU 26 -4.996 -6.918 -3.197 226 HD12 LEU 26 HD12 LEU 26 -4.117 -8.012 -2.131 227 HD13 LEU 26 HD13 LEU 26 -3.630 -6.318 -2.250 228 HD21 LEU 26 HD21 LEU 26 -4.372 -7.843 0.349 229 HD22 LEU 26 HD22 LEU 26 -5.501 -6.687 1.049 230 HD23 LEU 26 HD23 LEU 26 -3.961 -6.123 0.392 231 H ILE 27 H ILE 27 -8.321 -3.754 -2.162 232 HA ILE 27 HA ILE 27 -7.832 -1.007 -1.948 233 HB ILE 27 HB ILE 27 -10.375 -2.301 -3.030 234 HG12 ILE 27 HG12 ILE 27 -7.807 -1.648 -4.536 235 HG13 ILE 27 HG13 ILE 27 -8.307 -3.263 -4.059 236 HG21 ILE 27 HG21 ILE 27 -10.601 0.148 -2.747 237 HG22 ILE 27 HG22 ILE 27 -10.581 -0.287 -4.456 238 HG23 ILE 27 HG23 ILE 27 -9.136 0.396 -3.703 239 HD11 ILE 27 HD11 ILE 27 -8.721 -2.885 -6.401 240 HD12 ILE 27 HD12 ILE 27 -9.711 -1.471 -6.040 241 HD13 ILE 27 HD13 ILE 27 -10.255 -3.080 -5.552 242 H TYR 28 H TYR 28 -10.257 -3.001 -0.327 243 HA TYR 28 HA TYR 28 -11.764 -1.015 1.015 244 HB2 TYR 28 HB2 TYR 28 -12.523 -3.340 0.785 245 HB3 TYR 28 HB3 TYR 28 -11.176 -3.913 1.750 246 HD1 TYR 28 HD2 TYR 28 -14.377 -2.017 1.888 247 HD2 TYR 28 HD1 TYR 28 -11.317 -3.953 4.166 248 HE1 TYR 28 HE2 TYR 28 -15.770 -1.860 3.900 249 HE2 TYR 28 HE1 TYR 28 -12.715 -3.794 6.180 250 HH TYR 28 HH TYR 28 -14.585 -2.371 7.019 251 H GLN 29 H GLN 29 -8.920 -2.913 2.139 252 HA GLN 29 HA GLN 29 -8.673 -1.653 4.707 253 HB2 GLN 29 HB2 GLN 29 -6.620 -3.223 3.099 254 HB3 GLN 29 HB3 GLN 29 -6.432 -2.764 4.790 255 HG2 GLN 29 HG2 GLN 29 -8.288 -4.195 5.432 256 HG3 GLN 29 HG3 GLN 29 -8.629 -4.576 3.743 257 HE21 GLN 29 HE21 GLN 29 -7.073 -5.897 2.586 258 HE22 GLN 29 HE22 GLN 29 -5.979 -6.929 3.441 259 H SER 30 H SER 30 -7.595 -0.781 1.538 260 HA SER 30 HA SER 30 -5.662 1.222 2.259 261 HB2 SER 30 HB2 SER 30 -7.277 0.884 -0.302 262 HB3 SER 30 HB3 SER 30 -5.828 1.873 -0.113 263 HG SER 30 HG SER 30 -4.606 0.105 -0.030 264 H ARG 31 H ARG 31 -9.125 1.175 1.503 265 HA ARG 31 HA ARG 31 -9.567 4.018 1.793 266 HB2 ARG 31 HB2 ARG 31 -11.454 1.643 1.563 267 HB3 ARG 31 HB3 ARG 31 -12.016 3.313 1.663 268 HG2 ARG 31 HG2 ARG 31 -10.945 3.868 -0.439 269 HG3 ARG 31 HG3 ARG 31 -10.155 2.292 -0.510 270 HD2 ARG 31 HD2 ARG 31 -12.325 1.186 -0.778 271 HD3 ARG 31 HD3 ARG 31 -13.159 2.739 -0.626 272 HE ARG 31 HE ARG 31 -11.371 3.031 -2.715 273 HH11 ARG 31 HH11 ARG 31 -14.077 0.957 -2.116 274 HH12 ARG 31 HH12 ARG 31 -14.483 0.856 -3.790 275 HH21 ARG 31 HH21 ARG 31 -11.923 2.872 -4.832 276 HH22 ARG 31 HH22 ARG 31 -13.291 1.923 -5.302 277 H LYS 32 H LYS 32 -9.252 1.445 4.055 278 HA LYS 32 HA LYS 32 -10.380 3.162 6.213 279 HB2 LYS 32 HB2 LYS 32 -9.870 0.170 6.026 280 HB3 LYS 32 HB3 LYS 32 -9.885 0.944 7.601 281 HG2 LYS 32 HG2 LYS 32 -12.047 -0.019 7.178 282 HG3 LYS 32 HG3 LYS 32 -12.187 1.741 7.206 283 HD2 LYS 32 HD2 LYS 32 -12.165 1.708 4.678 284 HD3 LYS 32 HD3 LYS 32 -12.188 -0.060 4.745 285 HE2 LYS 32 HE2 LYS 32 -14.443 0.859 4.378 286 HE3 LYS 32 HE3 LYS 32 -14.347 0.012 5.922 287 HZ1 LYS 32 HZ1 LYS 32 -14.112 2.146 7.031 288 HZ2 LYS 32 HZ2 LYS 32 -15.543 2.097 6.134 289 HZ3 LYS 32 HZ3 LYS 32 -14.208 2.959 5.556 290 H ARG 33 H ARG 33 -8.853 4.508 6.985 291 HA ARG 33 HA ARG 33 -6.281 3.504 7.908 292 HB2 ARG 33 HB2 ARG 33 -6.399 4.719 5.332 293 HB3 ARG 33 HB3 ARG 33 -5.787 5.992 6.373 294 HG2 ARG 33 HG2 ARG 33 -3.898 4.850 5.459 295 HG3 ARG 33 HG3 ARG 33 -4.000 4.402 7.162 296 HD2 ARG 33 HD2 ARG 33 -5.395 2.349 6.190 297 HD3 ARG 33 HD3 ARG 33 -4.506 2.723 4.715 298 HE ARG 33 HE ARG 33 -2.514 2.570 6.476 299 HH11 ARG 33 HH11 ARG 33 -5.173 0.401 5.913 300 HH12 ARG 33 HH12 ARG 33 -4.334 -0.952 6.593 301 HH21 ARG 33 HH21 ARG 33 -1.493 0.804 7.362 302 HH22 ARG 33 HH22 ARG 33 -2.295 -0.718 7.412 303 H GLY 34 H GLY 34 -5.310 4.802 9.522 304 HA2 GLY 34 HA2 GLY 34 -7.054 6.594 10.974 305 HA3 GLY 34 HA3 GLY 34 -5.410 6.145 11.400 306 H ILE 35 H ILE 35 -4.704 7.097 8.480 307 HA ILE 35 HA ILE 35 -4.502 10.007 9.070 308 HB ILE 35 HB ILE 35 -2.511 8.358 7.428 309 HG12 ILE 35 HG12 ILE 35 -2.373 7.587 9.739 310 HG13 ILE 35 HG13 ILE 35 -0.947 8.541 9.354 311 HG21 ILE 35 HG21 ILE 35 -2.281 11.203 8.495 312 HG22 ILE 35 HG22 ILE 35 -2.513 10.736 6.806 313 HG23 ILE 35 HG23 ILE 35 -1.013 10.318 7.640 314 HD11 ILE 35 HD11 ILE 35 -1.740 8.999 11.581 315 HD12 ILE 35 HD12 ILE 35 -3.321 9.465 10.962 316 HD13 ILE 35 HD13 ILE 35 -1.897 10.435 10.572 317 H LEU 36 H LEU 36 -5.366 11.355 7.538 318 HA LEU 36 HA LEU 36 -6.792 10.390 5.271 319 HB2 LEU 36 HB2 LEU 36 -6.057 13.179 6.205 320 HB3 LEU 36 HB3 LEU 36 -6.866 12.941 4.669 321 HG LEU 36 HG LEU 36 -8.509 13.555 6.333 322 HD11 LEU 36 HD11 LEU 36 -9.236 11.974 4.622 323 HD12 LEU 36 HD12 LEU 36 -10.104 11.719 6.132 324 HD13 LEU 36 HD13 LEU 36 -8.808 10.615 5.665 325 HD21 LEU 36 HD21 LEU 36 -8.979 12.241 8.346 326 HD22 LEU 36 HD22 LEU 36 -7.329 12.859 8.369 327 HD23 LEU 36 HD23 LEU 36 -7.626 11.162 7.982 328 H GLU 37 H GLU 37 -3.595 11.928 5.557 329 HA GLU 37 HA GLU 37 -2.959 12.164 2.814 330 HB2 GLU 37 HB2 GLU 37 -1.182 11.726 5.244 331 HB3 GLU 37 HB3 GLU 37 -0.528 12.007 3.633 332 HG2 GLU 37 HG2 GLU 37 -2.258 13.930 5.222 333 HG3 GLU 37 HG3 GLU 37 -0.516 14.052 4.975 334 H THR 38 H THR 38 -2.302 9.494 5.081 335 HA THR 38 HA THR 38 -1.107 7.702 3.211 336 HB THR 38 HB THR 38 -2.470 7.004 5.844 337 HG1 THR 38 HG1 THR 38 0.214 7.120 5.984 338 HG21 THR 38 HG21 THR 38 -0.958 5.075 5.885 339 HG22 THR 38 HG22 THR 38 -0.266 5.555 4.334 340 HG23 THR 38 HG23 THR 38 -1.951 5.027 4.422 341 H ASP 39 H ASP 39 -4.420 8.295 4.219 342 HA ASP 39 HA ASP 39 -5.678 5.940 3.306 343 HB2 ASP 39 HB2 ASP 39 -6.730 7.556 4.878 344 HB3 ASP 39 HB3 ASP 39 -6.844 8.752 3.589 345 H LEU 40 H LEU 40 -5.492 9.175 1.769 346 HA LEU 40 HA LEU 40 -6.644 8.407 -0.724 347 HB2 LEU 40 HB2 LEU 40 -4.890 10.811 -0.088 348 HB3 LEU 40 HB3 LEU 40 -5.923 10.642 -1.503 349 HG LEU 40 HG LEU 40 -6.879 10.855 1.387 350 HD11 LEU 40 HD11 LEU 40 -6.020 12.982 0.545 351 HD12 LEU 40 HD12 LEU 40 -7.766 13.044 0.760 352 HD13 LEU 40 HD13 LEU 40 -7.084 12.880 -0.862 353 HD21 LEU 40 HD21 LEU 40 -9.163 10.959 0.467 354 HD22 LEU 40 HD22 LEU 40 -8.387 9.423 0.090 355 HD23 LEU 40 HD23 LEU 40 -8.532 10.664 -1.157 356 H LEU 41 H LEU 41 -3.332 8.490 0.466 357 HA LEU 41 HA LEU 41 -1.859 8.032 -1.904 358 HB2 LEU 41 HB2 LEU 41 -0.740 8.616 0.166 359 HB3 LEU 41 HB3 LEU 41 -1.380 7.197 0.975 360 HG LEU 41 HG LEU 41 0.050 5.771 -0.578 361 HD11 LEU 41 HD11 LEU 41 1.967 6.821 -1.708 362 HD12 LEU 41 HD12 LEU 41 1.321 8.418 -1.322 363 HD13 LEU 41 HD13 LEU 41 0.425 7.337 -2.392 364 HD21 LEU 41 HD21 LEU 41 0.694 6.206 1.748 365 HD22 LEU 41 HD22 LEU 41 1.540 7.675 1.254 366 HD23 LEU 41 HD23 LEU 41 2.109 6.098 0.701 367 H LEU 42 H LEU 42 -2.994 5.603 0.494 368 HA LEU 42 HA LEU 42 -2.188 3.355 -1.080 369 HB2 LEU 42 HB2 LEU 42 -3.888 3.583 1.419 370 HB3 LEU 42 HB3 LEU 42 -3.497 2.036 0.675 371 HG LEU 42 HG LEU 42 -1.464 4.009 1.801 372 HD11 LEU 42 HD11 LEU 42 -1.068 2.331 3.544 373 HD12 LEU 42 HD12 LEU 42 -2.377 1.336 2.900 374 HD13 LEU 42 HD13 LEU 42 -2.725 2.929 3.578 375 HD21 LEU 42 HD21 LEU 42 -1.022 1.255 0.585 376 HD22 LEU 42 HD22 LEU 42 0.210 2.229 1.394 377 HD23 LEU 42 HD23 LEU 42 -0.516 2.802 -0.104 378 H SER 43 H SER 43 -5.298 4.972 -0.567 379 HA SER 43 HA SER 43 -6.979 3.087 -1.874 380 HB2 SER 43 HB2 SER 43 -7.338 6.070 -1.410 381 HB3 SER 43 HB3 SER 43 -8.593 5.049 -2.117 382 HG SER 43 HG SER 43 -7.454 4.875 0.477 383 H GLY 44 H GLY 44 -5.378 6.032 -3.135 384 HA2 GLY 44 HA2 GLY 44 -6.181 5.818 -5.846 385 HA3 GLY 44 HA3 GLY 44 -4.760 6.665 -5.253 386 H PHE 45 H PHE 45 -3.324 4.590 -4.131 387 HA PHE 45 HA PHE 45 -1.982 3.309 -6.271 388 HB2 PHE 45 HB2 PHE 45 -0.995 3.846 -4.018 389 HB3 PHE 45 HB3 PHE 45 -1.975 2.576 -3.304 390 HD1 PHE 45 HD2 PHE 45 -1.401 0.180 -3.692 391 HD2 PHE 45 HD1 PHE 45 1.008 3.315 -5.323 392 HE1 PHE 45 HE2 PHE 45 0.412 -1.427 -4.118 393 HE2 PHE 45 HE1 PHE 45 2.804 1.699 -5.746 394 HZ PHE 45 HZ PHE 45 2.515 -0.667 -5.144 395 H ALA 46 H ALA 46 -4.622 2.288 -4.178 396 HA ALA 46 HA ALA 46 -4.453 -0.512 -4.716 397 HB1 ALA 46 HB1 ALA 46 -6.525 -0.689 -3.443 398 HB2 ALA 46 HB2 ALA 46 -6.735 1.064 -3.501 399 HB3 ALA 46 HB3 ALA 46 -5.375 0.365 -2.619 400 H ALA 47 H ALA 47 -6.615 2.063 -5.847 401 HA ALA 47 HA ALA 47 -8.253 0.442 -7.533 402 HB1 ALA 47 HB1 ALA 47 -9.085 2.594 -8.402 403 HB2 ALA 47 HB2 ALA 47 -7.751 3.440 -7.604 404 HB3 ALA 47 HB3 ALA 47 -8.978 2.616 -6.641 405 H LYS 48 H LYS 48 -5.152 1.952 -7.989 406 HA LYS 48 HA LYS 48 -5.219 1.907 -10.914 407 HB2 LYS 48 HB2 LYS 48 -4.353 3.865 -9.673 408 HB3 LYS 48 HB3 LYS 48 -3.091 2.864 -8.965 409 HG2 LYS 48 HG2 LYS 48 -2.112 2.516 -11.208 410 HG3 LYS 48 HG3 LYS 48 -3.387 3.513 -11.921 411 HD2 LYS 48 HD2 LYS 48 -1.320 4.456 -9.884 412 HD3 LYS 48 HD3 LYS 48 -1.272 4.778 -11.619 413 HE2 LYS 48 HE2 LYS 48 -3.475 5.719 -9.744 414 HE3 LYS 48 HE3 LYS 48 -2.124 6.709 -10.294 415 HZ1 LYS 48 HZ1 LYS 48 -4.168 5.480 -12.061 416 HZ2 LYS 48 HZ2 LYS 48 -2.895 6.479 -12.549 417 HZ3 LYS 48 HZ3 LYS 48 -4.131 7.101 -11.579 418 H TYR 49 H TYR 49 -3.120 0.513 -8.348 419 HA TYR 49 HA TYR 49 -1.423 -0.819 -10.276 420 HB2 TYR 49 HB2 TYR 49 -1.334 -0.521 -7.270 421 HB3 TYR 49 HB3 TYR 49 -0.256 -1.647 -8.089 422 HD1 TYR 49 HD1 TYR 49 -1.303 1.980 -8.246 423 HD2 TYR 49 HD2 TYR 49 1.834 -0.871 -8.796 424 HE1 TYR 49 HE1 TYR 49 0.283 3.805 -8.694 425 HE2 TYR 49 HE2 TYR 49 3.417 0.960 -9.244 426 HH TYR 49 HH TYR 49 2.716 4.208 -8.611 427 H LEU 50 H LEU 50 -3.830 -1.864 -7.893 428 HA LEU 50 HA LEU 50 -3.278 -4.639 -7.956 429 HB2 LEU 50 HB2 LEU 50 -5.730 -3.074 -7.195 430 HB3 LEU 50 HB3 LEU 50 -5.834 -4.822 -7.319 431 HG LEU 50 HG LEU 50 -3.944 -4.978 -5.643 432 HD11 LEU 50 HD11 LEU 50 -3.415 -3.107 -4.228 433 HD12 LEU 50 HD12 LEU 50 -4.495 -2.062 -5.147 434 HD13 LEU 50 HD13 LEU 50 -3.032 -2.703 -5.903 435 HD21 LEU 50 HD21 LEU 50 -5.366 -4.569 -3.709 436 HD22 LEU 50 HD22 LEU 50 -6.259 -5.361 -4.999 437 HD23 LEU 50 HD23 LEU 50 -6.480 -3.637 -4.704 438 H LYS 51 H LYS 51 -4.842 -2.677 -10.313 439 HA LYS 51 HA LYS 51 -6.522 -4.410 -11.690 440 HB2 LYS 51 HB2 LYS 51 -4.719 -2.204 -12.759 441 HB3 LYS 51 HB3 LYS 51 -6.024 -2.945 -13.683 442 HG2 LYS 51 HG2 LYS 51 -6.549 -1.556 -11.036 443 HG3 LYS 51 HG3 LYS 51 -6.443 -0.655 -12.543 444 HD2 LYS 51 HD2 LYS 51 -8.761 -0.997 -12.212 445 HD3 LYS 51 HD3 LYS 51 -8.313 -2.183 -13.433 446 HE2 LYS 51 HE2 LYS 51 -8.282 -3.944 -11.682 447 HE3 LYS 51 HE3 LYS 51 -8.743 -2.743 -10.472 448 HZ1 LYS 51 HZ1 LYS 51 -10.789 -2.374 -11.681 449 HZ2 LYS 51 HZ2 LYS 51 -10.636 -4.002 -11.251 450 HZ3 LYS 51 HZ3 LYS 51 -10.341 -3.515 -12.847 451 H LYS 52 H LYS 52 -2.987 -4.052 -12.052 452 HA LYS 52 HA LYS 52 -2.921 -6.391 -13.890 453 HB2 LYS 52 HB2 LYS 52 -0.950 -4.083 -13.690 454 HB3 LYS 52 HB3 LYS 52 -0.806 -5.452 -14.793 455 HG2 LYS 52 HG2 LYS 52 -2.870 -4.758 -15.943 456 HG3 LYS 52 HG3 LYS 52 -3.057 -3.407 -14.821 457 HD2 LYS 52 HD2 LYS 52 -0.775 -3.790 -16.809 458 HD3 LYS 52 HD3 LYS 52 -2.118 -2.656 -16.979 459 HE2 LYS 52 HE2 LYS 52 -1.340 -1.505 -14.892 460 HE3 LYS 52 HE3 LYS 52 0.049 -2.592 -14.853 461 HZ1 LYS 52 HZ1 LYS 52 0.645 -0.512 -15.827 462 HZ2 LYS 52 HZ2 LYS 52 -0.594 -0.624 -16.968 463 HZ3 LYS 52 HZ3 LYS 52 0.705 -1.707 -17.023 464 H MET 53 H MET 53 -2.122 -5.516 -10.701 465 HA MET 53 HA MET 53 0.362 -6.958 -10.473 466 HB2 MET 53 HB2 MET 53 -1.452 -5.656 -8.447 467 HB3 MET 53 HB3 MET 53 -0.238 -6.796 -7.891 468 HG2 MET 53 HG2 MET 53 1.435 -5.355 -9.239 469 HG3 MET 53 HG3 MET 53 0.174 -4.124 -9.215 470 HE1 MET 53 HE1 MET 53 -0.152 -3.619 -5.252 471 HE2 MET 53 HE2 MET 53 -1.078 -4.745 -6.243 472 HE3 MET 53 HE3 MET 53 -0.785 -3.102 -6.817 473 H ASN 54 H ASN 54 0.788 -8.945 -9.839 474 HA ASN 54 HA ASN 54 -1.192 -11.019 -10.065 475 HB2 ASN 54 HB2 ASN 54 1.742 -10.818 -10.137 476 HB3 ASN 54 HB3 ASN 54 1.256 -12.186 -9.162 477 HD21 ASN 54 HD21 ASN 54 0.257 -13.929 -10.135 478 HD22 ASN 54 HD22 ASN 54 0.252 -14.150 -11.836 479 H GLU 55 H GLU 55 -1.050 -12.909 -8.462 480 HA GLU 55 HA GLU 55 -2.214 -12.393 -6.012 481 HB2 GLU 55 HB2 GLU 55 -0.538 -14.798 -6.855 482 HB3 GLU 55 HB3 GLU 55 -1.502 -14.753 -5.383 483 HG2 GLU 55 HG2 GLU 55 -2.652 -16.010 -7.105 484 HG3 GLU 55 HG3 GLU 55 -3.549 -14.557 -6.698 485 H GLU 56 H GLU 56 1.222 -12.903 -6.721 486 HA GLU 56 HA GLU 56 2.179 -12.999 -4.032 487 HB2 GLU 56 HB2 GLU 56 3.769 -12.380 -6.554 488 HB3 GLU 56 HB3 GLU 56 4.405 -12.965 -5.015 489 HG2 GLU 56 HG2 GLU 56 2.975 -15.065 -5.391 490 HG3 GLU 56 HG3 GLU 56 2.709 -14.466 -7.041 491 H GLU 57 H GLU 57 1.941 -10.409 -6.431 492 HA GLU 57 HA GLU 57 3.233 -8.338 -4.980 493 HB2 GLU 57 HB2 GLU 57 0.943 -7.942 -6.948 494 HB3 GLU 57 HB3 GLU 57 2.232 -6.804 -6.552 495 HG2 GLU 57 HG2 GLU 57 2.483 -9.393 -8.117 496 HG3 GLU 57 HG3 GLU 57 2.556 -7.755 -8.764 497 H LEU 58 H LEU 58 -0.191 -9.172 -5.380 498 HA LEU 58 HA LEU 58 -1.438 -7.347 -3.719 499 HB2 LEU 58 HB2 LEU 58 -2.303 -10.203 -4.303 500 HB3 LEU 58 HB3 LEU 58 -3.328 -8.984 -3.565 501 HG LEU 58 HG LEU 58 -2.450 -9.245 -6.434 502 HD11 LEU 58 HD11 LEU 58 -4.636 -10.093 -5.774 503 HD12 LEU 58 HD12 LEU 58 -4.798 -8.749 -6.898 504 HD13 LEU 58 HD13 LEU 58 -5.105 -8.503 -5.173 505 HD21 LEU 58 HD21 LEU 58 -1.674 -7.002 -5.919 506 HD22 LEU 58 HD22 LEU 58 -3.237 -6.586 -5.209 507 HD23 LEU 58 HD23 LEU 58 -3.112 -6.925 -6.937 508 H GLU 59 H GLU 59 -0.096 -10.518 -2.722 509 HA GLU 59 HA GLU 59 -1.095 -10.284 -0.020 510 HB2 GLU 59 HB2 GLU 59 0.143 -12.341 0.437 511 HB3 GLU 59 HB3 GLU 59 -0.798 -12.476 -1.038 512 HG2 GLU 59 HG2 GLU 59 1.324 -11.997 -2.328 513 HG3 GLU 59 HG3 GLU 59 2.203 -12.130 -0.805 514 H GLU 60 H GLU 60 1.957 -9.446 -1.628 515 HA GLU 60 HA GLU 60 3.393 -8.669 0.726 516 HB2 GLU 60 HB2 GLU 60 4.499 -8.991 -1.492 517 HB3 GLU 60 HB3 GLU 60 3.638 -7.591 -2.122 518 HG2 GLU 60 HG2 GLU 60 4.850 -6.107 -0.618 519 HG3 GLU 60 HG3 GLU 60 5.615 -7.477 0.180 520 H TYR 61 H TYR 61 1.108 -6.999 -1.418 521 HA TYR 61 HA TYR 61 1.133 -4.463 -0.158 522 HB2 TYR 61 HB2 TYR 61 0.273 -4.881 -2.467 523 HB3 TYR 61 HB3 TYR 61 -1.123 -5.705 -1.776 524 HD1 TYR 61 HD2 TYR 61 0.668 -2.458 -1.087 525 HD2 TYR 61 HD1 TYR 61 -3.079 -4.350 -1.909 526 HE1 TYR 61 HE2 TYR 61 -0.457 -0.291 -0.931 527 HE2 TYR 61 HE1 TYR 61 -4.208 -2.167 -1.746 528 HH TYR 61 HH TYR 61 -2.585 0.749 -1.847 529 H ASP 62 H ASP 62 -0.741 -7.391 0.462 530 HA ASP 62 HA ASP 62 -2.648 -6.435 2.288 531 HB2 ASP 62 HB2 ASP 62 -2.491 -8.770 1.230 532 HB3 ASP 62 HB3 ASP 62 -1.266 -9.157 2.428 533 H SER 63 H SER 63 0.622 -7.734 2.846 534 HA SER 63 HA SER 63 0.855 -7.390 5.612 535 HB2 SER 63 HB2 SER 63 3.049 -7.214 3.507 536 HB3 SER 63 HB3 SER 63 3.310 -7.474 5.238 537 HG SER 63 HG SER 63 3.207 -9.382 3.743 538 H LEU 64 H LEU 64 1.427 -5.023 3.004 539 HA LEU 64 HA LEU 64 2.481 -2.915 4.597 540 HB2 LEU 64 HB2 LEU 64 2.678 -3.043 2.106 541 HB3 LEU 64 HB3 LEU 64 0.956 -2.727 1.974 542 HG LEU 64 HG LEU 64 1.358 -0.489 3.102 543 HD11 LEU 64 HD11 LEU 64 4.286 -1.152 2.673 544 HD12 LEU 64 HD12 LEU 64 3.466 -0.960 4.226 545 HD13 LEU 64 HD13 LEU 64 3.644 0.424 3.151 546 HD21 LEU 64 HD21 LEU 64 2.225 0.634 1.091 547 HD22 LEU 64 HD22 LEU 64 1.063 -0.623 0.674 548 HD23 LEU 64 HD23 LEU 64 2.790 -0.917 0.458 549 H LEU 65 H LEU 65 -0.817 -3.845 3.723 550 HA LEU 65 HA LEU 65 -2.138 -1.563 4.878 551 HB2 LEU 65 HB2 LEU 65 -3.213 -4.298 4.106 552 HB3 LEU 65 HB3 LEU 65 -4.204 -2.892 4.495 553 HG LEU 65 HG LEU 65 -2.246 -2.999 2.160 554 HD11 LEU 65 HD11 LEU 65 -4.046 -4.606 1.812 555 HD12 LEU 65 HD12 LEU 65 -4.165 -3.250 0.697 556 HD13 LEU 65 HD13 LEU 65 -5.248 -3.341 2.086 557 HD21 LEU 65 HD21 LEU 65 -4.399 -0.965 2.829 558 HD22 LEU 65 HD22 LEU 65 -3.392 -0.971 1.376 559 HD23 LEU 65 HD23 LEU 65 -2.652 -0.720 2.956 560 H ASN 66 H ASN 66 -0.872 -4.514 6.218 561 HA ASN 66 HA ASN 66 -2.258 -4.162 8.783 562 HB2 ASN 66 HB2 ASN 66 -0.130 -6.167 7.908 563 HB3 ASN 66 HB3 ASN 66 -0.830 -6.120 9.525 564 HD21 ASN 66 HD21 ASN 66 -1.273 -7.177 6.291 565 HD22 ASN 66 HD22 ASN 66 -2.814 -7.914 6.504 566 H GLU 67 H GLU 67 0.257 -2.530 7.347 567 HA GLU 67 HA GLU 67 1.948 -2.211 9.712 568 HB2 GLU 67 HB2 GLU 67 2.020 -0.722 7.045 569 HB3 GLU 67 HB3 GLU 67 3.225 -0.577 8.324 570 HG2 GLU 67 HG2 GLU 67 2.620 -3.042 6.667 571 HG3 GLU 67 HG3 GLU 67 4.038 -2.007 6.534 572 H LEU 68 H LEU 68 2.545 0.083 10.340 573 HA LEU 68 HA LEU 68 0.261 1.500 11.351 574 HB2 LEU 68 HB2 LEU 68 3.203 2.284 11.341 575 HB3 LEU 68 HB3 LEU 68 1.947 3.017 12.332 576 HG LEU 68 HG LEU 68 2.852 0.111 12.560 577 HD11 LEU 68 HD11 LEU 68 3.524 2.466 14.352 578 HD12 LEU 68 HD12 LEU 68 4.636 1.639 13.258 579 HD13 LEU 68 HD13 LEU 68 3.964 0.780 14.643 580 HD21 LEU 68 HD21 LEU 68 0.518 0.414 13.251 581 HD22 LEU 68 HD22 LEU 68 0.985 1.730 14.331 582 HD23 LEU 68 HD23 LEU 68 1.539 0.083 14.650 583 H ASP 69 H ASP 69 -0.844 3.052 10.348 584 HA ASP 69 HA ASP 69 -0.642 3.731 7.715 585 HB2 ASP 69 HB2 ASP 69 -2.116 5.848 8.469 586 HB3 ASP 69 HB3 ASP 69 -2.744 4.207 8.476 587 H TRP 70 H TRP 70 0.413 6.099 10.312 588 HA TRP 70 HA TRP 70 1.384 8.042 8.573 589 HB2 TRP 70 HB2 TRP 70 1.658 7.520 11.433 590 HB3 TRP 70 HB3 TRP 70 3.157 8.166 10.804 591 HD1 TRP 70 HD1 TRP 70 0.862 9.571 12.750 592 HE1 TRP 70 HE1 TRP 70 0.151 11.967 12.168 593 HE3 TRP 70 HE3 TRP 70 2.339 9.713 7.825 594 HZ2 TRP 70 HZ2 TRP 70 0.193 13.681 9.949 595 HZ3 TRP 70 HZ3 TRP 70 1.948 11.782 6.552 596 HH2 TRP 70 HH2 TRP 70 0.897 13.724 7.594 597 H ASP 71 H ASP 71 3.115 5.223 9.869 598 HA ASP 71 HA ASP 71 5.718 5.864 8.975 599 HB2 ASP 71 HB2 ASP 71 4.418 3.175 9.583 600 HB3 ASP 71 HB3 ASP 71 6.148 3.387 9.289 601 H ILE 72 H ILE 72 3.108 4.008 7.413 602 HA ILE 72 HA ILE 72 4.343 3.140 5.055 603 HB ILE 72 HB ILE 72 1.473 4.123 5.378 604 HG12 ILE 72 HG12 ILE 72 2.509 1.263 5.576 605 HG13 ILE 72 HG13 ILE 72 2.152 2.280 6.966 606 HG21 ILE 72 HG21 ILE 72 2.619 2.318 3.213 607 HG22 ILE 72 HG22 ILE 72 2.055 3.975 2.995 608 HG23 ILE 72 HG23 ILE 72 0.909 2.707 3.425 609 HD11 ILE 72 HD11 ILE 72 0.356 0.719 6.529 610 HD12 ILE 72 HD12 ILE 72 0.160 1.356 4.897 611 HD13 ILE 72 HD13 ILE 72 -0.200 2.376 6.293 612 H TYR 73 H TYR 73 2.828 6.304 5.750 613 HA TYR 73 HA TYR 73 3.092 7.396 3.128 614 HB2 TYR 73 HB2 TYR 73 1.460 8.209 4.858 615 HB3 TYR 73 HB3 TYR 73 2.801 8.895 5.767 616 HD1 TYR 73 HD2 TYR 73 0.922 9.131 2.550 617 HD2 TYR 73 HD1 TYR 73 3.708 11.069 5.156 618 HE1 TYR 73 HE2 TYR 73 0.732 11.196 1.226 619 HE2 TYR 73 HE1 TYR 73 3.518 13.130 3.828 620 HH TYR 73 HH TYR 73 1.068 13.668 1.611 621 H TYR 74 H TYR 74 5.158 7.505 6.022 622 HA TYR 74 HA TYR 74 7.055 9.411 4.985 623 HB2 TYR 74 HB2 TYR 74 7.251 7.465 7.313 624 HB3 TYR 74 HB3 TYR 74 8.468 8.683 6.945 625 HD1 TYR 74 HD1 TYR 74 7.137 11.142 6.465 626 HD2 TYR 74 HD2 TYR 74 5.978 8.084 9.210 627 HE1 TYR 74 HE1 TYR 74 5.974 12.813 7.828 628 HE2 TYR 74 HE2 TYR 74 4.799 9.756 10.570 629 HH TYR 74 HH TYR 74 4.847 12.188 10.974 630 H TRP 75 H TRP 75 6.780 5.898 4.854 631 HA TRP 75 HA TRP 75 9.401 5.438 3.732 632 HB2 TRP 75 HB2 TRP 75 6.952 3.628 3.750 633 HB3 TRP 75 HB3 TRP 75 8.583 3.134 3.303 634 HD1 TRP 75 HD1 TRP 75 9.892 4.747 5.964 635 HE1 TRP 75 HE1 TRP 75 9.711 3.528 8.218 636 HE3 TRP 75 HE3 TRP 75 6.129 1.473 4.819 637 HZ2 TRP 75 HZ2 TRP 75 8.189 1.448 9.361 638 HZ3 TRP 75 HZ3 TRP 75 5.373 -0.108 6.545 639 HH2 TRP 75 HH2 TRP 75 6.383 -0.119 8.772 640 H ALA 76 H ALA 76 6.121 5.853 2.479 641 HA ALA 76 HA ALA 76 6.562 5.386 -0.272 642 HB1 ALA 76 HB1 ALA 76 4.331 5.543 0.774 643 HB2 ALA 76 HB2 ALA 76 4.474 6.629 -0.609 644 HB3 ALA 76 HB3 ALA 76 4.572 7.271 1.036 645 H THR 77 H THR 77 6.963 8.270 1.709 646 HA THR 77 HA THR 77 8.135 9.811 -0.522 647 HB THR 77 HB THR 77 8.129 11.726 1.046 648 HG1 THR 77 HG1 THR 77 6.878 10.048 2.978 649 HG21 THR 77 HG21 THR 77 5.696 11.998 1.390 650 HG22 THR 77 HG22 THR 77 5.451 10.273 1.108 651 HG23 THR 77 HG23 THR 77 6.026 11.309 -0.203 652 H LYS 78 H LYS 78 10.097 11.258 0.606 653 HA LYS 78 HA LYS 78 12.071 9.313 1.654 654 HB2 LYS 78 HB2 LYS 78 12.474 11.980 0.230 655 HB3 LYS 78 HB3 LYS 78 13.783 10.979 0.862 656 HG2 LYS 78 HG2 LYS 78 13.154 9.154 -0.667 657 HG3 LYS 78 HG3 LYS 78 11.804 10.113 -1.281 658 HD2 LYS 78 HD2 LYS 78 14.755 10.823 -1.548 659 HD3 LYS 78 HD3 LYS 78 13.746 10.132 -2.821 660 HE2 LYS 78 HE2 LYS 78 12.281 12.181 -2.667 661 HE3 LYS 78 HE3 LYS 78 13.448 12.869 -1.534 662 HZ1 LYS 78 HZ1 LYS 78 13.809 13.654 -3.775 663 HZ2 LYS 78 HZ2 LYS 78 14.003 12.076 -4.341 664 HZ3 LYS 78 HZ3 LYS 78 15.129 12.734 -3.266 665 H ASN 79 H ASN 79 10.029 10.490 3.295 666 HA ASN 79 HA ASN 79 11.443 12.285 5.157 667 HB2 ASN 79 HB2 ASN 79 8.565 11.303 4.974 668 HB3 ASN 79 HB3 ASN 79 9.152 12.213 6.359 669 HD21 ASN 79 HD21 ASN 79 9.360 14.420 6.180 670 HD22 ASN 79 HD22 ASN 79 8.948 15.309 4.760 671 H PHE 80 H PHE 80 12.733 9.913 5.035 672 HA PHE 80 HA PHE 80 11.882 7.974 6.986 673 HB2 PHE 80 HB2 PHE 80 14.571 8.335 5.599 674 HB3 PHE 80 HB3 PHE 80 14.127 6.938 6.570 675 HD1 PHE 80 HD1 PHE 80 12.181 5.468 5.773 676 HD2 PHE 80 HD2 PHE 80 14.013 8.411 3.266 677 HE1 PHE 80 HE1 PHE 80 11.290 4.338 3.781 678 HE2 PHE 80 HE2 PHE 80 13.111 7.270 1.281 679 HZ PHE 80 HZ PHE 80 11.748 5.235 1.536 680 H LYS 81 H LYS 81 12.606 10.939 7.793 681 HA LYS 81 HA LYS 81 14.748 10.739 9.677 682 HB2 LYS 81 HB2 LYS 81 14.173 12.870 8.592 683 HB3 LYS 81 HB3 LYS 81 12.566 12.833 9.301 684 HG2 LYS 81 HG2 LYS 81 13.930 14.411 10.510 685 HG3 LYS 81 HG3 LYS 81 13.574 13.039 11.558 686 HD2 LYS 81 HD2 LYS 81 15.907 13.695 11.851 687 HD3 LYS 81 HD3 LYS 81 15.848 12.109 11.079 688 HE2 LYS 81 HE2 LYS 81 16.296 13.153 8.891 689 HE3 LYS 81 HE3 LYS 81 16.307 14.752 9.639 690 HZ1 LYS 81 HZ1 LYS 81 18.211 14.070 10.953 691 HZ2 LYS 81 HZ2 LYS 81 18.528 13.924 9.300 692 HZ3 LYS 81 HZ3 LYS 81 18.199 12.547 10.221 693 H THR 82 H THR 82 11.241 11.377 10.217 694 HA THR 82 HA THR 82 11.366 10.631 13.003 695 HB THR 82 HB THR 82 9.847 12.416 12.381 696 HG1 THR 82 HG1 THR 82 7.833 11.432 13.257 697 HG21 THR 82 HG21 THR 82 7.818 12.060 11.025 698 HG22 THR 82 HG22 THR 82 8.311 10.396 10.704 699 HG23 THR 82 HG23 THR 82 9.274 11.735 10.078 700 H SER 83 H SER 83 10.194 9.040 10.054 701 HA SER 83 HA SER 83 10.021 6.487 11.565 702 HB2 SER 83 HB2 SER 83 8.245 7.313 9.226 703 HB3 SER 83 HB3 SER 83 8.292 5.696 9.935 704 HG SER 83 HG SER 83 6.978 6.385 11.396 705 HA PRO 84 HA PRO 84 13.315 5.878 8.370 706 HB2 PRO 84 HB2 PRO 84 14.872 4.201 9.857 707 HB3 PRO 84 HB3 PRO 84 14.939 5.962 10.026 708 HG2 PRO 84 HG2 PRO 84 13.457 3.951 11.724 709 HG3 PRO 84 HG3 PRO 84 14.454 5.328 12.244 710 HD2 PRO 84 HD2 PRO 84 11.728 5.458 12.157 711 HD3 PRO 84 HD3 PRO 84 12.752 6.877 11.850 712 H LEU 85 H LEU 85 14.022 3.901 7.275 713 HA LEU 85 HA LEU 85 11.744 2.191 6.842 714 HB2 LEU 85 HB2 LEU 85 13.127 3.270 5.023 715 HB3 LEU 85 HB3 LEU 85 14.431 2.166 5.429 716 HG LEU 85 HG LEU 85 12.970 0.239 4.818 717 HD11 LEU 85 HD11 LEU 85 10.764 1.224 5.287 718 HD12 LEU 85 HD12 LEU 85 10.837 0.623 3.632 719 HD13 LEU 85 HD13 LEU 85 10.966 2.356 3.944 720 HD21 LEU 85 HD21 LEU 85 13.250 2.318 2.624 721 HD22 LEU 85 HD22 LEU 85 13.022 0.583 2.385 722 HD23 LEU 85 HD23 LEU 85 14.497 1.178 3.142 723 HA PRO 86 HA PRO 86 13.600 -1.187 9.310 724 HB2 PRO 86 HB2 PRO 86 11.473 -2.862 9.334 725 HB3 PRO 86 HB3 PRO 86 11.472 -1.356 10.267 726 HG2 PRO 86 HG2 PRO 86 10.156 -1.972 7.637 727 HG3 PRO 86 HG3 PRO 86 9.542 -1.017 9.001 728 HD2 PRO 86 HD2 PRO 86 10.714 0.048 6.697 729 HD3 PRO 86 HD3 PRO 86 10.557 0.912 8.236 730 H ASP 87 H ASP 87 14.105 -3.483 8.976 731 HA ASP 87 HA ASP 87 15.321 -3.940 6.475 732 HB2 ASP 87 HB2 ASP 87 14.793 -5.938 8.720 733 HB3 ASP 87 HB3 ASP 87 15.974 -6.134 7.421 734 H LYS 88 H LYS 88 12.253 -5.049 7.765 735 HA LYS 88 HA LYS 88 11.585 -7.029 5.854 736 HB2 LYS 88 HB2 LYS 88 9.259 -6.739 6.666 737 HB3 LYS 88 HB3 LYS 88 10.417 -6.860 7.989 738 HG2 LYS 88 HG2 LYS 88 10.338 -4.420 8.311 739 HG3 LYS 88 HG3 LYS 88 9.217 -4.265 6.957 740 HD2 LYS 88 HD2 LYS 88 8.662 -5.763 9.550 741 HD3 LYS 88 HD3 LYS 88 8.063 -4.151 9.151 742 HE2 LYS 88 HE2 LYS 88 6.811 -5.128 7.221 743 HE3 LYS 88 HE3 LYS 88 7.375 -6.733 7.695 744 HZ1 LYS 88 HZ1 LYS 88 6.250 -6.405 9.832 745 HZ2 LYS 88 HZ2 LYS 88 5.194 -6.362 8.516 746 HZ3 LYS 88 HZ3 LYS 88 5.645 -4.921 9.276 747 H TRP 89 H TRP 89 11.414 -3.506 5.628 748 HA TRP 89 HA TRP 89 10.171 -3.739 2.935 749 HB2 TRP 89 HB2 TRP 89 10.074 -1.338 4.818 750 HB3 TRP 89 HB3 TRP 89 9.396 -1.388 3.195 751 HD1 TRP 89 HD1 TRP 89 8.404 -1.880 6.704 752 HE1 TRP 89 HE1 TRP 89 6.120 -3.027 6.863 753 HE3 TRP 89 HE3 TRP 89 7.913 -3.481 1.858 754 HZ2 TRP 89 HZ2 TRP 89 4.341 -4.433 5.202 755 HZ3 TRP 89 HZ3 TRP 89 5.882 -4.722 1.223 756 HH2 TRP 89 HH2 TRP 89 4.128 -5.186 2.866 757 H ALA 90 H ALA 90 13.140 -3.411 4.277 758 HA ALA 90 HA ALA 90 14.318 -1.216 2.931 759 HB1 ALA 90 HB1 ALA 90 15.415 -2.333 4.821 760 HB2 ALA 90 HB2 ALA 90 16.477 -2.288 3.409 761 HB3 ALA 90 HB3 ALA 90 15.649 -3.786 3.844 762 H ASN 91 H ASN 91 14.010 -0.978 0.808 763 HA ASN 91 HA ASN 91 14.080 -1.193 -1.427 764 HB2 ASN 91 HB2 ASN 91 15.993 -3.510 -0.907 765 HB3 ASN 91 HB3 ASN 91 15.725 -2.758 -2.480 766 HD21 ASN 91 HD21 ASN 91 18.196 -2.939 -0.919 767 HD22 ASN 91 HD22 ASN 91 18.723 -1.317 -0.663 768 H SER 92 H SER 92 12.031 -2.549 0.120 769 HA SER 92 HA SER 92 11.129 -4.941 -1.082 770 HB2 SER 92 HB2 SER 92 9.971 -4.220 0.886 771 HB3 SER 92 HB3 SER 92 9.620 -2.636 0.202 772 HG SER 92 HG SER 92 8.421 -5.133 -0.394 773 H LYS 93 H LYS 93 10.055 -5.391 -2.954 774 HA LYS 93 HA LYS 93 10.294 -3.734 -5.218 775 HB2 LYS 93 HB2 LYS 93 10.193 -6.273 -5.132 776 HB3 LYS 93 HB3 LYS 93 8.462 -6.153 -4.860 777 HG2 LYS 93 HG2 LYS 93 9.756 -4.976 -7.335 778 HG3 LYS 93 HG3 LYS 93 9.326 -6.685 -7.246 779 HD2 LYS 93 HD2 LYS 93 6.968 -6.083 -6.841 780 HD3 LYS 93 HD3 LYS 93 7.377 -4.368 -6.902 781 HE2 LYS 93 HE2 LYS 93 8.020 -4.588 -9.258 782 HE3 LYS 93 HE3 LYS 93 7.711 -6.323 -9.199 783 HZ1 LYS 93 HZ1 LYS 93 5.880 -5.109 -10.186 784 HZ2 LYS 93 HZ2 LYS 93 5.677 -4.212 -8.763 785 HZ3 LYS 93 HZ3 LYS 93 5.405 -5.882 -8.762 786 H LEU 94 H LEU 94 7.374 -4.653 -3.370 787 HA LEU 94 HA LEU 94 5.409 -3.055 -4.490 788 HB2 LEU 94 HB2 LEU 94 4.985 -4.715 -2.739 789 HB3 LEU 94 HB3 LEU 94 5.892 -3.757 -1.582 790 HG LEU 94 HG LEU 94 4.114 -1.921 -1.910 791 HD11 LEU 94 HD11 LEU 94 2.551 -4.184 -3.182 792 HD12 LEU 94 HD12 LEU 94 3.116 -2.719 -3.992 793 HD13 LEU 94 HD13 LEU 94 1.912 -2.607 -2.711 794 HD21 LEU 94 HD21 LEU 94 4.255 -3.259 0.113 795 HD22 LEU 94 HD22 LEU 94 3.288 -4.535 -0.631 796 HD23 LEU 94 HD23 LEU 94 2.571 -2.953 -0.313 797 H LEU 95 H LEU 95 7.666 -2.178 -1.857 798 HA LEU 95 HA LEU 95 6.693 0.376 -1.244 799 HB2 LEU 95 HB2 LEU 95 8.305 -0.826 0.188 800 HB3 LEU 95 HB3 LEU 95 9.543 -0.650 -1.045 801 HG LEU 95 HG LEU 95 9.321 1.883 -0.765 802 HD11 LEU 95 HD11 LEU 95 7.768 1.140 1.726 803 HD12 LEU 95 HD12 LEU 95 7.124 1.952 0.295 804 HD13 LEU 95 HD13 LEU 95 8.338 2.754 1.286 805 HD21 LEU 95 HD21 LEU 95 10.316 0.322 1.633 806 HD22 LEU 95 HD22 LEU 95 10.742 1.987 1.223 807 HD23 LEU 95 HD23 LEU 95 11.221 0.669 0.156 808 H LYS 96 H LYS 96 9.178 -0.588 -3.611 809 HA LYS 96 HA LYS 96 9.987 2.005 -4.409 810 HB2 LYS 96 HB2 LYS 96 10.085 -0.590 -5.990 811 HB3 LYS 96 HB3 LYS 96 10.935 0.897 -6.424 812 HG2 LYS 96 HG2 LYS 96 12.144 0.768 -4.217 813 HG3 LYS 96 HG3 LYS 96 11.384 -0.800 -3.952 814 HD2 LYS 96 HD2 LYS 96 13.521 -1.332 -4.787 815 HD3 LYS 96 HD3 LYS 96 12.463 -1.514 -6.184 816 HE2 LYS 96 HE2 LYS 96 14.157 0.950 -5.617 817 HE3 LYS 96 HE3 LYS 96 14.631 -0.360 -6.690 818 HZ1 LYS 96 HZ1 LYS 96 12.299 1.432 -7.058 819 HZ2 LYS 96 HZ2 LYS 96 12.717 0.153 -8.077 820 HZ3 LYS 96 HZ3 LYS 96 13.750 1.481 -7.925 821 H GLN 97 H GLN 97 7.399 -0.112 -5.652 822 HA GLN 97 HA GLN 97 6.463 1.576 -7.738 823 HB2 GLN 97 HB2 GLN 97 5.056 -0.540 -6.075 824 HB3 GLN 97 HB3 GLN 97 4.256 0.302 -7.396 825 HG2 GLN 97 HG2 GLN 97 6.771 -1.364 -7.721 826 HG3 GLN 97 HG3 GLN 97 5.136 -1.973 -7.970 827 HE21 GLN 97 HE21 GLN 97 5.519 -2.454 -10.155 828 HE22 GLN 97 HE22 GLN 97 5.696 -1.239 -11.361 829 H LEU 98 H LEU 98 5.763 1.477 -4.280 830 HA LEU 98 HA LEU 98 3.597 3.354 -4.254 831 HB2 LEU 98 HB2 LEU 98 4.005 1.610 -2.506 832 HB3 LEU 98 HB3 LEU 98 5.447 2.473 -2.002 833 HG LEU 98 HG LEU 98 3.991 4.423 -1.335 834 HD11 LEU 98 HD11 LEU 98 1.566 4.098 -1.091 835 HD12 LEU 98 HD12 LEU 98 1.686 2.536 -1.906 836 HD13 LEU 98 HD13 LEU 98 2.067 4.022 -2.781 837 HD21 LEU 98 HD21 LEU 98 3.140 3.399 0.739 838 HD22 LEU 98 HD22 LEU 98 4.761 2.825 0.352 839 HD23 LEU 98 HD23 LEU 98 3.363 1.791 0.043 840 H GLN 99 H GLN 99 7.096 3.651 -3.780 841 HA GLN 99 HA GLN 99 7.210 6.416 -3.087 842 HB2 GLN 99 HB2 GLN 99 9.317 4.565 -4.273 843 HB3 GLN 99 HB3 GLN 99 9.659 6.196 -3.691 844 HG2 GLN 99 HG2 GLN 99 9.034 5.569 -1.424 845 HG3 GLN 99 HG3 GLN 99 8.525 3.971 -1.965 846 HE21 GLN 99 HE21 GLN 99 10.524 4.697 0.048 847 HE22 GLN 99 HE22 GLN 99 11.998 3.961 -0.460 848 H GLU 100 H GLU 100 7.547 4.705 -6.181 849 HA GLU 100 HA GLU 100 7.860 6.962 -7.879 850 HB2 GLU 100 HB2 GLU 100 6.716 4.195 -8.421 851 HB3 GLU 100 HB3 GLU 100 6.969 5.397 -9.684 852 HG2 GLU 100 HG2 GLU 100 9.136 4.184 -7.938 853 HG3 GLU 100 HG3 GLU 100 8.776 3.717 -9.598 854 H PHE 101 H PHE 101 4.999 5.279 -6.627 855 HA PHE 101 HA PHE 101 3.018 6.700 -8.075 856 HB2 PHE 101 HB2 PHE 101 2.442 4.593 -6.974 857 HB3 PHE 101 HB3 PHE 101 2.793 5.280 -5.388 858 HD1 PHE 101 HD2 PHE 101 0.564 5.836 -8.372 859 HD2 PHE 101 HD1 PHE 101 1.004 6.202 -4.134 860 HE1 PHE 101 HE2 PHE 101 -1.736 6.670 -8.195 861 HE2 PHE 101 HE1 PHE 101 -1.296 7.041 -3.977 862 HZ PHE 101 HZ PHE 101 -2.668 7.278 -6.003 863 H SER 102 H SER 102 4.446 7.308 -4.853 864 HA SER 102 HA SER 102 2.891 9.441 -3.974 865 HB2 SER 102 HB2 SER 102 5.869 8.975 -3.562 866 HB3 SER 102 HB3 SER 102 4.905 10.134 -2.636 867 HG SER 102 HG SER 102 5.140 7.465 -2.323 868 H GLU 103 H GLU 103 5.766 9.559 -6.062 869 HA GLU 103 HA GLU 103 5.913 12.338 -6.525 870 HB2 GLU 103 HB2 GLU 103 6.623 10.095 -8.464 871 HB3 GLU 103 HB3 GLU 103 7.236 11.746 -8.517 872 HG2 GLU 103 HG2 GLU 103 7.803 9.697 -6.351 873 HG3 GLU 103 HG3 GLU 103 8.899 10.159 -7.654 874 H ASN 104 H ASN 104 4.209 9.778 -8.330 875 HA ASN 104 HA ASN 104 3.113 11.716 -10.262 876 HB2 ASN 104 HB2 ASN 104 3.290 8.673 -10.320 877 HB3 ASN 104 HB3 ASN 104 2.631 9.664 -11.623 878 HD21 ASN 104 HD21 ASN 104 5.058 7.855 -11.406 879 HD22 ASN 104 HD22 ASN 104 6.353 8.827 -11.995 880 H LYS 105 H LYS 105 1.995 10.906 -7.396 881 HA LYS 105 HA LYS 105 -0.453 9.664 -7.581 882 HB2 LYS 105 HB2 LYS 105 0.886 10.305 -5.524 883 HB3 LYS 105 HB3 LYS 105 0.304 11.956 -5.726 884 HG2 LYS 105 HG2 LYS 105 -2.042 10.863 -5.674 885 HG3 LYS 105 HG3 LYS 105 -1.207 9.481 -4.981 886 HD2 LYS 105 HD2 LYS 105 -1.362 12.293 -3.833 887 HD3 LYS 105 HD3 LYS 105 -2.166 10.858 -3.206 888 HE2 LYS 105 HE2 LYS 105 -0.347 11.139 -1.751 889 HE3 LYS 105 HE3 LYS 105 0.242 9.920 -2.876 890 HZ1 LYS 105 HZ1 LYS 105 1.511 11.591 -4.022 891 HZ2 LYS 105 HZ2 LYS 105 1.861 11.692 -2.372 892 HZ3 LYS 105 HZ3 LYS 105 0.834 12.826 -3.088 893 H GLU 106 H GLU 106 0.323 13.113 -7.827 894 HA GLU 106 HA GLU 106 -2.356 13.739 -8.939 895 HB2 GLU 106 HB2 GLU 106 -0.452 15.811 -7.784 896 HB3 GLU 106 HB3 GLU 106 -2.192 15.910 -7.994 897 HG2 GLU 106 HG2 GLU 106 -2.232 15.564 -5.763 898 HG3 GLU 106 HG3 GLU 106 -2.072 13.871 -6.193 899 H LYS 107 H LYS 107 0.653 13.077 -10.006 900 HA LYS 107 HA LYS 107 0.949 15.388 -11.852 901 HB2 LYS 107 HB2 LYS 107 3.201 13.721 -10.645 902 HB3 LYS 107 HB3 LYS 107 3.371 15.180 -11.618 903 HG2 LYS 107 HG2 LYS 107 2.190 15.011 -8.830 904 HG3 LYS 107 HG3 LYS 107 3.795 15.620 -9.244 905 HD2 LYS 107 HD2 LYS 107 2.751 17.474 -10.523 906 HD3 LYS 107 HD3 LYS 107 1.146 16.863 -10.103 907 HE2 LYS 107 HE2 LYS 107 1.647 17.249 -7.698 908 HE3 LYS 107 HE3 LYS 107 3.237 17.879 -8.138 909 HZ1 LYS 107 HZ1 LYS 107 2.108 19.622 -9.414 910 HZ2 LYS 107 HZ2 LYS 107 1.717 19.671 -7.770 911 HZ3 LYS 107 HZ3 LYS 107 0.614 19.036 -8.882 912 H GLU 108 H GLU 108 0.083 12.266 -11.899 913 HA GLU 108 HA GLU 108 1.770 11.053 -13.836 914 HB2 GLU 108 HB2 GLU 108 0.384 9.813 -12.189 915 HB3 GLU 108 HB3 GLU 108 -1.074 10.353 -13.018 916 HG2 GLU 108 HG2 GLU 108 -0.312 9.142 -15.046 917 HG3 GLU 108 HG3 GLU 108 1.078 8.545 -14.144 918 H ILE 109 H ILE 109 1.725 11.167 -15.985 919 HA ILE 109 HA ILE 109 1.409 12.171 -18.010 920 HB ILE 109 HB ILE 109 -0.530 11.128 -19.250 921 HG12 ILE 109 HG12 ILE 109 -1.660 9.158 -17.942 922 HG13 ILE 109 HG13 ILE 109 -1.226 10.036 -16.491 923 HG21 ILE 109 HG21 ILE 109 1.656 10.059 -19.158 924 HG22 ILE 109 HG22 ILE 109 0.387 8.833 -19.117 925 HG23 ILE 109 HG23 ILE 109 1.246 9.265 -17.634 926 HD11 ILE 109 HD11 ILE 109 -3.536 10.380 -17.118 927 HD12 ILE 109 HD12 ILE 109 -3.045 11.028 -18.682 928 HD13 ILE 109 HD13 ILE 109 -2.643 11.898 -17.197 Start of MODEL 11 1 H1 MET 1 H1 MET 1 24.165 -20.598 -10.783 2 H2 MET 1 H2 MET 1 23.568 -19.213 -11.540 3 H3 MET 1 H3 MET 1 22.949 -20.732 -11.956 4 HA MET 1 HA MET 1 22.706 -19.411 -9.317 5 HB2 MET 1 HB2 MET 1 20.667 -19.814 -11.543 6 HB3 MET 1 HB3 MET 1 20.228 -19.328 -9.908 7 HG2 MET 1 HG2 MET 1 21.986 -17.769 -11.815 8 HG3 MET 1 HG3 MET 1 20.315 -17.392 -11.373 9 HE1 MET 1 HE1 MET 1 22.305 -14.539 -9.542 10 HE2 MET 1 HE2 MET 1 20.985 -14.907 -10.652 11 HE3 MET 1 HE3 MET 1 22.654 -15.228 -11.128 12 H GLY 2 H GLY 2 21.708 -20.569 -7.691 13 HA2 GLY 2 HA2 GLY 2 20.591 -23.226 -8.130 14 HA3 GLY 2 HA3 GLY 2 22.114 -23.187 -7.252 15 H HIS 3 H HIS 3 20.157 -20.434 -6.672 16 HA HIS 3 HA HIS 3 19.627 -21.223 -3.950 17 HB2 HIS 3 HB2 HIS 3 18.527 -18.952 -3.758 18 HB3 HIS 3 HB3 HIS 3 20.208 -18.921 -4.258 19 HD1 HIS 3 HD1 HIS 3 20.728 -18.079 -6.669 20 HD2 HIS 3 HD2 HIS 3 16.700 -17.893 -5.645 21 HE1 HIS 3 HE1 HIS 3 19.655 -16.633 -8.417 22 HE2 HIS 3 HE2 HIS 3 17.222 -16.574 -7.810 23 H HIS 4 H HIS 4 18.190 -22.834 -3.750 24 HA HIS 4 HA HIS 4 15.436 -22.435 -4.791 25 HB2 HIS 4 HB2 HIS 4 15.271 -24.931 -5.031 26 HB3 HIS 4 HB3 HIS 4 16.431 -24.198 -6.125 27 HD1 HIS 4 HD1 HIS 4 18.794 -25.055 -6.039 28 HD2 HIS 4 HD2 HIS 4 16.495 -26.450 -2.869 29 HE1 HIS 4 HE1 HIS 4 20.184 -26.817 -4.932 30 HE2 HIS 4 HE2 HIS 4 18.675 -27.810 -3.187 31 H HIS 5 H HIS 5 16.669 -21.765 -2.155 32 HA HIS 5 HA HIS 5 15.711 -23.492 -0.118 33 HB2 HIS 5 HB2 HIS 5 17.354 -21.770 0.403 34 HB3 HIS 5 HB3 HIS 5 16.255 -20.491 -0.098 35 HD1 HIS 5 HD1 HIS 5 14.494 -19.722 1.571 36 HD2 HIS 5 HD2 HIS 5 16.800 -22.875 2.996 37 HE1 HIS 5 HE1 HIS 5 13.962 -19.886 4.014 38 HE2 HIS 5 HE2 HIS 5 15.274 -21.865 4.838 39 H HIS 6 H HIS 6 13.615 -24.177 -0.337 40 HA HIS 6 HA HIS 6 11.414 -22.222 -0.099 41 HB2 HIS 6 HB2 HIS 6 11.446 -24.508 -2.132 42 HB3 HIS 6 HB3 HIS 6 10.067 -23.467 -1.794 43 HD1 HIS 6 HD1 HIS 6 12.649 -23.854 -4.182 44 HD2 HIS 6 HD2 HIS 6 10.861 -20.574 -2.360 45 HE1 HIS 6 HE1 HIS 6 13.158 -21.902 -5.674 46 HE2 HIS 6 HE2 HIS 6 11.898 -19.982 -4.654 47 H HIS 7 H HIS 7 9.609 -22.975 0.965 48 HA HIS 7 HA HIS 7 9.405 -25.823 1.736 49 HB2 HIS 7 HB2 HIS 7 9.111 -23.410 3.571 50 HB3 HIS 7 HB3 HIS 7 8.324 -24.940 3.947 51 HD1 HIS 7 HD1 HIS 7 9.886 -26.986 4.451 52 HD2 HIS 7 HD2 HIS 7 11.864 -23.342 4.123 53 HE1 HIS 7 HE1 HIS 7 12.173 -27.380 5.395 54 HE2 HIS 7 HE2 HIS 7 13.321 -25.146 5.280 55 H HIS 8 H HIS 8 7.814 -22.718 1.132 56 HA HIS 8 HA HIS 8 5.793 -22.089 0.341 57 HB2 HIS 8 HB2 HIS 8 6.513 -23.734 -1.472 58 HB3 HIS 8 HB3 HIS 8 5.505 -24.943 -0.697 59 HD1 HIS 8 HD1 HIS 8 2.924 -24.667 -0.943 60 HD2 HIS 8 HD2 HIS 8 5.133 -21.796 -2.980 61 HE1 HIS 8 HE1 HIS 8 1.302 -23.559 -2.499 62 HE2 HIS 8 HE2 HIS 8 2.624 -21.739 -3.614 63 H SER 9 H SER 9 6.025 -23.455 3.051 64 HA SER 9 HA SER 9 3.556 -24.865 3.528 65 HB2 SER 9 HB2 SER 9 5.636 -25.414 4.779 66 HB3 SER 9 HB3 SER 9 5.606 -23.819 5.533 67 HG SER 9 HG SER 9 3.980 -24.420 6.782 68 H HIS 10 H HIS 10 1.956 -23.398 2.904 69 HA HIS 10 HA HIS 10 1.659 -20.750 3.929 70 HB2 HIS 10 HB2 HIS 10 0.683 -21.588 1.755 71 HB3 HIS 10 HB3 HIS 10 -0.457 -22.565 2.667 72 HD1 HIS 10 HD1 HIS 10 -2.133 -21.075 4.260 73 HD2 HIS 10 HD2 HIS 10 -0.206 -19.075 1.172 74 HE1 HIS 10 HE1 HIS 10 -3.444 -18.966 3.910 75 HE2 HIS 10 HE2 HIS 10 -2.121 -17.683 2.201 76 H MET 11 H MET 11 1.255 -20.337 6.032 77 HA MET 11 HA MET 11 0.329 -22.065 8.013 78 HB2 MET 11 HB2 MET 11 1.526 -19.973 8.519 79 HB3 MET 11 HB3 MET 11 0.163 -19.023 7.948 80 HG2 MET 11 HG2 MET 11 -1.223 -20.010 9.796 81 HG3 MET 11 HG3 MET 11 0.228 -20.799 10.404 82 HE1 MET 11 HE1 MET 11 -1.566 -17.360 9.726 83 HE2 MET 11 HE2 MET 11 -0.059 -17.147 8.836 84 HE3 MET 11 HE3 MET 11 -0.361 -16.202 10.294 85 H ILE 12 H ILE 12 -1.552 -23.114 7.948 86 HA ILE 12 HA ILE 12 -3.701 -23.738 7.760 87 HB ILE 12 HB ILE 12 -4.322 -20.794 8.200 88 HG12 ILE 12 HG12 ILE 12 -4.222 -23.073 10.236 89 HG13 ILE 12 HG13 ILE 12 -3.003 -21.815 10.066 90 HG21 ILE 12 HG21 ILE 12 -6.582 -21.530 8.909 91 HG22 ILE 12 HG22 ILE 12 -6.176 -23.194 8.486 92 HG23 ILE 12 HG23 ILE 12 -6.263 -21.958 7.228 93 HD11 ILE 12 HD11 ILE 12 -4.670 -20.131 10.734 94 HD12 ILE 12 HD12 ILE 12 -4.443 -21.380 11.957 95 HD13 ILE 12 HD13 ILE 12 -5.872 -21.412 10.925 96 H LYS 13 H LYS 13 -4.853 -24.338 5.968 97 HA LYS 13 HA LYS 13 -4.560 -22.835 3.469 98 HB2 LYS 13 HB2 LYS 13 -5.788 -25.550 4.099 99 HB3 LYS 13 HB3 LYS 13 -5.825 -24.839 2.492 100 HG2 LYS 13 HG2 LYS 13 -4.014 -26.392 2.511 101 HG3 LYS 13 HG3 LYS 13 -3.303 -24.777 2.528 102 HD2 LYS 13 HD2 LYS 13 -2.951 -25.008 5.007 103 HD3 LYS 13 HD3 LYS 13 -3.587 -26.653 4.918 104 HE2 LYS 13 HE2 LYS 13 -1.104 -25.650 3.476 105 HE3 LYS 13 HE3 LYS 13 -1.107 -26.595 4.965 106 HZ1 LYS 13 HZ1 LYS 13 -2.145 -28.414 3.778 107 HZ2 LYS 13 HZ2 LYS 13 -0.708 -27.968 3.010 108 HZ3 LYS 13 HZ3 LYS 13 -2.191 -27.505 2.351 109 H ARG 14 H ARG 14 -5.801 -21.229 5.001 110 HA ARG 14 HA ARG 14 -8.605 -21.325 5.353 111 HB2 ARG 14 HB2 ARG 14 -7.100 -19.967 6.746 112 HB3 ARG 14 HB3 ARG 14 -6.613 -19.014 5.349 113 HG2 ARG 14 HG2 ARG 14 -8.983 -18.165 5.191 114 HG3 ARG 14 HG3 ARG 14 -9.342 -19.025 6.693 115 HD2 ARG 14 HD2 ARG 14 -7.642 -17.677 7.873 116 HD3 ARG 14 HD3 ARG 14 -7.251 -16.836 6.364 117 HE ARG 14 HE ARG 14 -10.026 -16.695 7.246 118 HH11 ARG 14 HH11 ARG 14 -6.966 -15.077 7.159 119 HH12 ARG 14 HH12 ARG 14 -7.663 -13.544 7.533 120 HH21 ARG 14 HH21 ARG 14 -10.877 -14.731 7.692 121 HH22 ARG 14 HH22 ARG 14 -9.852 -13.348 7.826 122 H THR 15 H THR 15 -6.534 -20.037 2.810 123 HA THR 15 HA THR 15 -8.465 -18.373 1.522 124 HB THR 15 HB THR 15 -6.738 -18.267 -0.345 125 HG1 THR 15 HG1 THR 15 -5.469 -19.995 -0.306 126 HG21 THR 15 HG21 THR 15 -5.714 -17.707 2.467 127 HG22 THR 15 HG22 THR 15 -6.710 -16.617 1.500 128 HG23 THR 15 HG23 THR 15 -5.071 -17.006 0.980 129 H ASN 16 H ASN 16 -10.209 -19.901 1.361 130 HA ASN 16 HA ASN 16 -10.168 -21.674 -1.001 131 HB2 ASN 16 HB2 ASN 16 -11.180 -22.500 1.154 132 HB3 ASN 16 HB3 ASN 16 -12.358 -21.194 1.080 133 HD21 ASN 16 HD21 ASN 16 -11.314 -24.207 -0.411 134 HD22 ASN 16 HD22 ASN 16 -12.795 -24.519 -1.242 135 H GLU 17 H GLU 17 -11.063 -18.523 0.039 136 HA GLU 17 HA GLU 17 -13.164 -17.819 -1.693 137 HB2 GLU 17 HB2 GLU 17 -12.504 -15.477 -1.239 138 HB3 GLU 17 HB3 GLU 17 -12.498 -16.426 0.242 139 HG2 GLU 17 HG2 GLU 17 -10.080 -16.535 0.246 140 HG3 GLU 17 HG3 GLU 17 -9.986 -15.791 -1.350 141 HA PRO 18 HA PRO 18 -11.209 -17.192 -5.815 142 HB2 PRO 18 HB2 PRO 18 -12.975 -14.737 -5.796 143 HB3 PRO 18 HB3 PRO 18 -12.758 -15.961 -7.058 144 HG2 PRO 18 HG2 PRO 18 -14.938 -15.985 -5.529 145 HG3 PRO 18 HG3 PRO 18 -14.144 -17.509 -5.982 146 HD2 PRO 18 HD2 PRO 18 -14.071 -16.038 -3.358 147 HD3 PRO 18 HD3 PRO 18 -14.118 -17.787 -3.669 148 H LEU 19 H LEU 19 -9.658 -15.863 -6.736 149 HA LEU 19 HA LEU 19 -8.036 -14.233 -5.068 150 HB2 LEU 19 HB2 LEU 19 -7.671 -15.615 -7.428 151 HB3 LEU 19 HB3 LEU 19 -7.731 -13.980 -8.043 152 HG LEU 19 HG LEU 19 -5.426 -14.711 -7.687 153 HD11 LEU 19 HD11 LEU 19 -5.890 -12.331 -7.404 154 HD12 LEU 19 HD12 LEU 19 -4.569 -12.855 -6.365 155 HD13 LEU 19 HD13 LEU 19 -6.171 -12.576 -5.676 156 HD21 LEU 19 HD21 LEU 19 -4.511 -15.225 -5.486 157 HD22 LEU 19 HD22 LEU 19 -5.818 -16.342 -5.880 158 HD23 LEU 19 HD23 LEU 19 -6.103 -15.019 -4.745 159 H ASP 20 H ASP 20 -10.543 -13.504 -7.440 160 HA ASP 20 HA ASP 20 -10.408 -10.725 -7.640 161 HB2 ASP 20 HB2 ASP 20 -11.907 -12.109 -9.020 162 HB3 ASP 20 HB3 ASP 20 -12.862 -12.529 -7.601 163 H LYS 21 H LYS 21 -11.966 -12.708 -5.117 164 HA LYS 21 HA LYS 21 -13.156 -10.617 -3.636 165 HB2 LYS 21 HB2 LYS 21 -12.315 -13.409 -2.850 166 HB3 LYS 21 HB3 LYS 21 -12.977 -12.293 -1.659 167 HG2 LYS 21 HG2 LYS 21 -14.990 -12.040 -3.237 168 HG3 LYS 21 HG3 LYS 21 -14.340 -13.432 -4.108 169 HD2 LYS 21 HD2 LYS 21 -16.062 -14.124 -2.497 170 HD3 LYS 21 HD3 LYS 21 -14.490 -14.798 -2.073 171 HE2 LYS 21 HE2 LYS 21 -14.210 -12.967 -0.381 172 HE3 LYS 21 HE3 LYS 21 -15.842 -12.411 -0.760 173 HZ1 LYS 21 HZ1 LYS 21 -15.712 -13.834 1.217 174 HZ2 LYS 21 HZ2 LYS 21 -15.175 -15.117 0.253 175 HZ3 LYS 21 HZ3 LYS 21 -16.720 -14.478 0.021 176 H LYS 22 H LYS 22 -9.911 -12.105 -3.281 177 HA LYS 22 HA LYS 22 -9.063 -10.612 -1.045 178 HB2 LYS 22 HB2 LYS 22 -7.827 -12.582 -1.839 179 HB3 LYS 22 HB3 LYS 22 -7.378 -11.734 -3.317 180 HG2 LYS 22 HG2 LYS 22 -6.028 -10.133 -2.039 181 HG3 LYS 22 HG3 LYS 22 -6.548 -10.868 -0.522 182 HD2 LYS 22 HD2 LYS 22 -4.283 -11.588 -1.106 183 HD3 LYS 22 HD3 LYS 22 -5.391 -12.961 -1.131 184 HE2 LYS 22 HE2 LYS 22 -5.526 -12.737 -3.619 185 HE3 LYS 22 HE3 LYS 22 -4.316 -11.455 -3.534 186 HZ1 LYS 22 HZ1 LYS 22 -3.350 -13.602 -4.081 187 HZ2 LYS 22 HZ2 LYS 22 -3.927 -14.261 -2.640 188 HZ3 LYS 22 HZ3 LYS 22 -2.757 -13.042 -2.601 189 H ARG 23 H ARG 23 -8.650 -9.916 -4.543 190 HA ARG 23 HA ARG 23 -7.343 -7.476 -4.532 191 HB2 ARG 23 HB2 ARG 23 -7.970 -8.738 -6.573 192 HB3 ARG 23 HB3 ARG 23 -9.662 -8.330 -6.317 193 HG2 ARG 23 HG2 ARG 23 -9.033 -5.892 -6.611 194 HG3 ARG 23 HG3 ARG 23 -7.411 -6.427 -7.062 195 HD2 ARG 23 HD2 ARG 23 -8.730 -5.993 -9.074 196 HD3 ARG 23 HD3 ARG 23 -8.391 -7.718 -8.955 197 HE ARG 23 HE ARG 23 -10.694 -8.002 -8.100 198 HH11 ARG 23 HH11 ARG 23 -10.028 -5.183 -10.000 199 HH12 ARG 23 HH12 ARG 23 -11.692 -4.932 -10.382 200 HH21 ARG 23 HH21 ARG 23 -12.805 -7.640 -8.626 201 HH22 ARG 23 HH22 ARG 23 -13.230 -6.293 -9.623 202 H ALA 24 H ALA 24 -10.875 -7.976 -4.249 203 HA ALA 24 HA ALA 24 -11.617 -5.271 -3.857 204 HB1 ALA 24 HB1 ALA 24 -13.073 -7.774 -2.956 205 HB2 ALA 24 HB2 ALA 24 -13.213 -7.010 -4.541 206 HB3 ALA 24 HB3 ALA 24 -13.777 -6.160 -3.102 207 H ARG 25 H ARG 25 -10.831 -7.838 -1.503 208 HA ARG 25 HA ARG 25 -11.446 -6.493 0.902 209 HB2 ARG 25 HB2 ARG 25 -9.495 -8.726 0.265 210 HB3 ARG 25 HB3 ARG 25 -9.737 -8.150 1.912 211 HG2 ARG 25 HG2 ARG 25 -12.014 -8.888 1.932 212 HG3 ARG 25 HG3 ARG 25 -11.992 -9.222 0.197 213 HD2 ARG 25 HD2 ARG 25 -11.799 -11.270 1.666 214 HD3 ARG 25 HD3 ARG 25 -10.505 -11.088 0.477 215 HE ARG 25 HE ARG 25 -10.170 -10.270 3.303 216 HH11 ARG 25 HH11 ARG 25 -9.048 -12.169 0.617 217 HH12 ARG 25 HH12 ARG 25 -7.538 -12.523 1.386 218 HH21 ARG 25 HH21 ARG 25 -8.243 -10.721 4.227 219 HH22 ARG 25 HH22 ARG 25 -7.092 -11.706 3.399 220 H LEU 26 H LEU 26 -8.525 -6.387 -1.086 221 HA LEU 26 HA LEU 26 -6.823 -5.104 0.829 222 HB2 LEU 26 HB2 LEU 26 -6.651 -5.208 -2.197 223 HB3 LEU 26 HB3 LEU 26 -5.361 -4.666 -1.130 224 HG LEU 26 HG LEU 26 -6.480 -7.501 -1.274 225 HD11 LEU 26 HD11 LEU 26 -5.157 -6.911 -3.217 226 HD12 LEU 26 HD12 LEU 26 -4.326 -8.094 -2.211 227 HD13 LEU 26 HD13 LEU 26 -3.820 -6.400 -2.181 228 HD21 LEU 26 HD21 LEU 26 -5.800 -6.971 1.013 229 HD22 LEU 26 HD22 LEU 26 -4.230 -6.398 0.442 230 HD23 LEU 26 HD23 LEU 26 -4.669 -8.103 0.277 231 H ILE 27 H ILE 27 -8.558 -3.899 -2.043 232 HA ILE 27 HA ILE 27 -8.118 -1.137 -1.695 233 HB ILE 27 HB ILE 27 -10.527 -2.500 -2.983 234 HG12 ILE 27 HG12 ILE 27 -7.884 -1.639 -4.235 235 HG13 ILE 27 HG13 ILE 27 -8.376 -3.298 -3.931 236 HG21 ILE 27 HG21 ILE 27 -9.433 0.301 -3.448 237 HG22 ILE 27 HG22 ILE 27 -10.928 -0.091 -2.593 238 HG23 ILE 27 HG23 ILE 27 -10.785 -0.437 -4.316 239 HD11 ILE 27 HD11 ILE 27 -8.593 -2.748 -6.259 240 HD12 ILE 27 HD12 ILE 27 -9.644 -1.384 -5.884 241 HD13 ILE 27 HD13 ILE 27 -10.191 -3.035 -5.571 242 H TYR 28 H TYR 28 -10.544 -3.291 -0.274 243 HA TYR 28 HA TYR 28 -12.151 -1.437 1.107 244 HB2 TYR 28 HB2 TYR 28 -12.905 -3.699 0.930 245 HB3 TYR 28 HB3 TYR 28 -11.422 -4.337 1.615 246 HD1 TYR 28 HD2 TYR 28 -14.088 -1.895 2.727 247 HD2 TYR 28 HD1 TYR 28 -11.719 -5.311 3.728 248 HE1 TYR 28 HE2 TYR 28 -15.171 -2.005 4.930 249 HE2 TYR 28 HE1 TYR 28 -12.816 -5.425 5.928 250 HH TYR 28 HH TYR 28 -15.650 -3.730 6.657 251 H GLN 29 H GLN 29 -9.130 -3.081 2.154 252 HA GLN 29 HA GLN 29 -9.052 -1.935 4.782 253 HB2 GLN 29 HB2 GLN 29 -6.847 -3.223 3.136 254 HB3 GLN 29 HB3 GLN 29 -6.692 -2.792 4.838 255 HG2 GLN 29 HG2 GLN 29 -8.470 -4.388 5.416 256 HG3 GLN 29 HG3 GLN 29 -8.676 -4.800 3.714 257 HE21 GLN 29 HE21 GLN 29 -7.033 -6.029 2.675 258 HE22 GLN 29 HE22 GLN 29 -5.866 -6.927 3.576 259 H SER 30 H SER 30 -7.995 -0.708 1.675 260 HA SER 30 HA SER 30 -6.230 1.331 2.730 261 HB2 SER 30 HB2 SER 30 -6.111 2.212 0.456 262 HB3 SER 30 HB3 SER 30 -6.026 0.455 0.377 263 HG SER 30 HG SER 30 -7.773 0.457 -0.764 264 H ARG 31 H ARG 31 -9.651 1.004 2.544 265 HA ARG 31 HA ARG 31 -10.261 3.848 2.751 266 HB2 ARG 31 HB2 ARG 31 -11.908 1.326 2.662 267 HB3 ARG 31 HB3 ARG 31 -12.637 2.737 3.406 268 HG2 ARG 31 HG2 ARG 31 -13.295 2.555 1.067 269 HG3 ARG 31 HG3 ARG 31 -12.356 4.024 1.342 270 HD2 ARG 31 HD2 ARG 31 -10.339 2.830 0.455 271 HD3 ARG 31 HD3 ARG 31 -11.377 1.452 0.071 272 HE ARG 31 HE ARG 31 -12.559 3.581 -1.172 273 HH11 ARG 31 HH11 ARG 31 -9.396 2.167 -1.320 274 HH12 ARG 31 HH12 ARG 31 -9.178 2.607 -2.977 275 HH21 ARG 31 HH21 ARG 31 -12.216 4.178 -3.264 276 HH22 ARG 31 HH22 ARG 31 -10.745 3.738 -4.058 277 H LYS 32 H LYS 32 -9.437 1.318 5.034 278 HA LYS 32 HA LYS 32 -10.257 3.119 7.260 279 HB2 LYS 32 HB2 LYS 32 -9.284 0.234 7.542 280 HB3 LYS 32 HB3 LYS 32 -9.981 1.246 8.796 281 HG2 LYS 32 HG2 LYS 32 -11.858 0.014 8.335 282 HG3 LYS 32 HG3 LYS 32 -12.077 1.230 7.084 283 HD2 LYS 32 HD2 LYS 32 -12.420 -0.768 5.917 284 HD3 LYS 32 HD3 LYS 32 -10.734 -0.407 5.551 285 HE2 LYS 32 HE2 LYS 32 -11.748 -2.402 7.613 286 HE3 LYS 32 HE3 LYS 32 -11.020 -2.791 6.059 287 HZ1 LYS 32 HZ1 LYS 32 -9.417 -3.103 7.752 288 HZ2 LYS 32 HZ2 LYS 32 -9.692 -1.576 8.416 289 HZ3 LYS 32 HZ3 LYS 32 -8.958 -1.717 6.901 290 H ARG 33 H ARG 33 -8.701 4.482 7.801 291 HA ARG 33 HA ARG 33 -5.949 3.674 8.295 292 HB2 ARG 33 HB2 ARG 33 -6.642 4.919 5.780 293 HB3 ARG 33 HB3 ARG 33 -5.837 6.158 6.723 294 HG2 ARG 33 HG2 ARG 33 -4.162 5.102 5.399 295 HG3 ARG 33 HG3 ARG 33 -3.910 4.561 7.057 296 HD2 ARG 33 HD2 ARG 33 -5.544 2.567 6.116 297 HD3 ARG 33 HD3 ARG 33 -4.682 2.994 4.642 298 HE ARG 33 HE ARG 33 -2.696 2.706 6.478 299 HH11 ARG 33 HH11 ARG 33 -5.268 0.588 5.457 300 HH12 ARG 33 HH12 ARG 33 -4.403 -0.830 5.936 301 HH21 ARG 33 HH21 ARG 33 -1.657 0.852 7.096 302 HH22 ARG 33 HH22 ARG 33 -2.414 -0.675 6.859 303 H GLY 34 H GLY 34 -4.797 5.251 9.609 304 HA2 GLY 34 HA2 GLY 34 -6.403 6.667 11.502 305 HA3 GLY 34 HA3 GLY 34 -4.653 6.707 11.383 306 H ILE 35 H ILE 35 -4.839 7.669 8.534 307 HA ILE 35 HA ILE 35 -5.670 10.478 8.910 308 HB ILE 35 HB ILE 35 -3.491 11.234 7.852 309 HG12 ILE 35 HG12 ILE 35 -2.623 8.363 8.442 310 HG13 ILE 35 HG13 ILE 35 -2.814 9.071 6.843 311 HG21 ILE 35 HG21 ILE 35 -2.178 11.164 9.913 312 HG22 ILE 35 HG22 ILE 35 -3.190 9.867 10.546 313 HG23 ILE 35 HG23 ILE 35 -3.877 11.469 10.271 314 HD11 ILE 35 HD11 ILE 35 -0.945 10.589 7.320 315 HD12 ILE 35 HD12 ILE 35 -0.496 8.890 7.442 316 HD13 ILE 35 HD13 ILE 35 -0.758 9.835 8.906 317 H LEU 36 H LEU 36 -5.994 11.672 6.993 318 HA LEU 36 HA LEU 36 -6.813 10.238 4.651 319 HB2 LEU 36 HB2 LEU 36 -7.894 12.352 5.475 320 HB3 LEU 36 HB3 LEU 36 -6.459 13.237 4.996 321 HG LEU 36 HG LEU 36 -6.879 12.590 2.613 322 HD11 LEU 36 HD11 LEU 36 -9.467 11.390 3.648 323 HD12 LEU 36 HD12 LEU 36 -8.110 10.509 2.940 324 HD13 LEU 36 HD13 LEU 36 -9.043 11.627 1.949 325 HD21 LEU 36 HD21 LEU 36 -9.194 14.037 3.943 326 HD22 LEU 36 HD22 LEU 36 -8.774 14.110 2.228 327 HD23 LEU 36 HD23 LEU 36 -7.665 14.759 3.432 328 H GLU 37 H GLU 37 -3.824 11.790 5.602 329 HA GLU 37 HA GLU 37 -2.564 12.305 3.167 330 HB2 GLU 37 HB2 GLU 37 -1.311 11.275 5.758 331 HB3 GLU 37 HB3 GLU 37 -0.392 11.933 4.405 332 HG2 GLU 37 HG2 GLU 37 -2.385 13.416 6.144 333 HG3 GLU 37 HG3 GLU 37 -0.632 13.580 6.175 334 H THR 38 H THR 38 -2.315 9.291 5.071 335 HA THR 38 HA THR 38 -1.040 7.768 2.996 336 HB THR 38 HB THR 38 -2.397 6.696 5.501 337 HG1 THR 38 HG1 THR 38 0.330 7.002 5.547 338 HG21 THR 38 HG21 THR 38 -1.787 4.944 3.853 339 HG22 THR 38 HG22 THR 38 -0.768 4.846 5.290 340 HG23 THR 38 HG23 THR 38 -0.131 5.562 3.809 341 H ASP 39 H ASP 39 -4.379 8.250 4.021 342 HA ASP 39 HA ASP 39 -5.624 6.039 2.802 343 HB2 ASP 39 HB2 ASP 39 -6.734 7.499 4.453 344 HB3 ASP 39 HB3 ASP 39 -6.713 8.835 3.313 345 H LEU 40 H LEU 40 -5.154 9.357 1.493 346 HA LEU 40 HA LEU 40 -6.144 8.948 -1.124 347 HB2 LEU 40 HB2 LEU 40 -3.997 10.882 -0.159 348 HB3 LEU 40 HB3 LEU 40 -4.784 10.974 -1.730 349 HG LEU 40 HG LEU 40 -6.150 11.354 0.969 350 HD11 LEU 40 HD11 LEU 40 -5.487 13.413 -1.160 351 HD12 LEU 40 HD12 LEU 40 -4.714 13.251 0.419 352 HD13 LEU 40 HD13 LEU 40 -6.412 13.704 0.317 353 HD21 LEU 40 HD21 LEU 40 -8.144 12.013 -0.322 354 HD22 LEU 40 HD22 LEU 40 -7.692 10.339 -0.622 355 HD23 LEU 40 HD23 LEU 40 -7.319 11.579 -1.822 356 H LEU 41 H LEU 41 -2.966 8.433 0.277 357 HA LEU 41 HA LEU 41 -1.455 7.893 -2.055 358 HB2 LEU 41 HB2 LEU 41 -0.496 8.435 0.173 359 HB3 LEU 41 HB3 LEU 41 -1.067 6.893 0.789 360 HG LEU 41 HG LEU 41 0.467 5.747 -0.879 361 HD11 LEU 41 HD11 LEU 41 2.309 7.023 -1.875 362 HD12 LEU 41 HD12 LEU 41 1.599 8.531 -1.293 363 HD13 LEU 41 HD13 LEU 41 0.748 7.559 -2.496 364 HD21 LEU 41 HD21 LEU 41 1.791 7.534 1.182 365 HD22 LEU 41 HD22 LEU 41 2.499 6.087 0.457 366 HD23 LEU 41 HD23 LEU 41 1.071 5.947 1.479 367 H LEU 42 H LEU 42 -2.971 5.595 0.258 368 HA LEU 42 HA LEU 42 -2.227 3.261 -1.235 369 HB2 LEU 42 HB2 LEU 42 -3.984 3.644 1.201 370 HB3 LEU 42 HB3 LEU 42 -3.698 2.064 0.480 371 HG LEU 42 HG LEU 42 -1.578 3.876 1.710 372 HD11 LEU 42 HD11 LEU 42 -1.360 2.109 3.407 373 HD12 LEU 42 HD12 LEU 42 -2.705 1.229 2.674 374 HD13 LEU 42 HD13 LEU 42 -2.973 2.818 3.397 375 HD21 LEU 42 HD21 LEU 42 0.005 2.012 1.321 376 HD22 LEU 42 HD22 LEU 42 -0.617 2.668 -0.189 377 HD23 LEU 42 HD23 LEU 42 -1.242 1.136 0.427 378 H SER 43 H SER 43 -5.253 5.098 -0.901 379 HA SER 43 HA SER 43 -6.941 3.210 -2.221 380 HB2 SER 43 HB2 SER 43 -7.296 6.196 -1.759 381 HB3 SER 43 HB3 SER 43 -8.545 5.159 -2.457 382 HG SER 43 HG SER 43 -7.592 5.312 0.162 383 H GLY 44 H GLY 44 -5.161 6.079 -3.400 384 HA2 GLY 44 HA2 GLY 44 -5.860 5.855 -6.157 385 HA3 GLY 44 HA3 GLY 44 -4.449 6.680 -5.508 386 H PHE 45 H PHE 45 -3.123 4.602 -4.272 387 HA PHE 45 HA PHE 45 -1.694 3.256 -6.301 388 HB2 PHE 45 HB2 PHE 45 -0.898 3.800 -3.944 389 HB3 PHE 45 HB3 PHE 45 -1.884 2.473 -3.355 390 HD1 PHE 45 HD2 PHE 45 -1.220 0.119 -3.828 391 HD2 PHE 45 HD1 PHE 45 1.218 3.401 -5.091 392 HE1 PHE 45 HE2 PHE 45 0.660 -1.416 -4.204 393 HE2 PHE 45 HE1 PHE 45 3.085 1.849 -5.467 394 HZ PHE 45 HZ PHE 45 2.814 -0.553 -5.027 395 H ALA 46 H ALA 46 -4.490 2.325 -4.377 396 HA ALA 46 HA ALA 46 -4.520 -0.449 -5.060 397 HB1 ALA 46 HB1 ALA 46 -5.544 0.379 -2.991 398 HB2 ALA 46 HB2 ALA 46 -6.722 -0.487 -3.979 399 HB3 ALA 46 HB3 ALA 46 -6.739 1.279 -3.931 400 H ALA 47 H ALA 47 -6.208 2.416 -6.275 401 HA ALA 47 HA ALA 47 -7.833 1.024 -8.203 402 HB1 ALA 47 HB1 ALA 47 -8.532 3.155 -7.198 403 HB2 ALA 47 HB2 ALA 47 -8.471 3.277 -8.957 404 HB3 ALA 47 HB3 ALA 47 -7.180 3.982 -7.976 405 H LYS 48 H LYS 48 -4.583 2.253 -8.249 406 HA LYS 48 HA LYS 48 -4.390 2.190 -11.179 407 HB2 LYS 48 HB2 LYS 48 -3.346 4.050 -9.962 408 HB3 LYS 48 HB3 LYS 48 -2.357 2.923 -9.039 409 HG2 LYS 48 HG2 LYS 48 -1.156 2.269 -11.073 410 HG3 LYS 48 HG3 LYS 48 -2.192 3.314 -12.050 411 HD2 LYS 48 HD2 LYS 48 -0.336 4.282 -9.833 412 HD3 LYS 48 HD3 LYS 48 0.059 4.304 -11.550 413 HE2 LYS 48 HE2 LYS 48 -2.224 5.819 -10.237 414 HE3 LYS 48 HE3 LYS 48 -0.689 6.514 -10.753 415 HZ1 LYS 48 HZ1 LYS 48 -2.354 6.954 -12.385 416 HZ2 LYS 48 HZ2 LYS 48 -2.766 5.315 -12.499 417 HZ3 LYS 48 HZ3 LYS 48 -1.252 5.846 -13.037 418 H TYR 49 H TYR 49 -2.700 0.587 -8.423 419 HA TYR 49 HA TYR 49 -1.095 -0.981 -10.256 420 HB2 TYR 49 HB2 TYR 49 -1.053 -0.661 -7.246 421 HB3 TYR 49 HB3 TYR 49 -0.022 -1.824 -8.074 422 HD1 TYR 49 HD1 TYR 49 -0.805 1.845 -7.895 423 HD2 TYR 49 HD2 TYR 49 2.045 -1.122 -9.063 424 HE1 TYR 49 HE1 TYR 49 0.875 3.601 -8.281 425 HE2 TYR 49 HE2 TYR 49 3.715 0.641 -9.450 426 HH TYR 49 HH TYR 49 3.415 3.744 -8.297 427 H LEU 50 H LEU 50 -3.680 -1.792 -7.869 428 HA LEU 50 HA LEU 50 -3.292 -4.585 -7.835 429 HB2 LEU 50 HB2 LEU 50 -5.659 -2.867 -7.167 430 HB3 LEU 50 HB3 LEU 50 -5.935 -4.590 -7.356 431 HG LEU 50 HG LEU 50 -4.025 -4.916 -5.639 432 HD11 LEU 50 HD11 LEU 50 -3.183 -2.589 -5.690 433 HD12 LEU 50 HD12 LEU 50 -3.585 -3.165 -4.074 434 HD13 LEU 50 HD13 LEU 50 -4.686 -2.070 -4.912 435 HD21 LEU 50 HD21 LEU 50 -6.649 -3.727 -4.729 436 HD22 LEU 50 HD22 LEU 50 -5.552 -4.690 -3.742 437 HD23 LEU 50 HD23 LEU 50 -6.351 -5.419 -5.130 438 H LYS 51 H LYS 51 -4.713 -2.682 -10.319 439 HA LYS 51 HA LYS 51 -6.193 -4.609 -11.768 440 HB2 LYS 51 HB2 LYS 51 -4.774 -2.039 -12.550 441 HB3 LYS 51 HB3 LYS 51 -5.562 -3.023 -13.772 442 HG2 LYS 51 HG2 LYS 51 -6.973 -1.139 -13.028 443 HG3 LYS 51 HG3 LYS 51 -7.734 -2.701 -12.734 444 HD2 LYS 51 HD2 LYS 51 -7.102 -2.549 -10.334 445 HD3 LYS 51 HD3 LYS 51 -6.332 -0.988 -10.636 446 HE2 LYS 51 HE2 LYS 51 -8.574 -0.725 -9.636 447 HE3 LYS 51 HE3 LYS 51 -8.506 -0.016 -11.248 448 HZ1 LYS 51 HZ1 LYS 51 -10.536 -1.269 -10.886 449 HZ2 LYS 51 HZ2 LYS 51 -9.648 -2.674 -10.581 450 HZ3 LYS 51 HZ3 LYS 51 -9.611 -1.968 -12.118 451 H LYS 52 H LYS 52 -2.746 -3.792 -11.789 452 HA LYS 52 HA LYS 52 -2.126 -5.819 -13.854 453 HB2 LYS 52 HB2 LYS 52 -0.374 -3.561 -12.781 454 HB3 LYS 52 HB3 LYS 52 -0.047 -4.574 -14.190 455 HG2 LYS 52 HG2 LYS 52 -1.967 -3.587 -15.372 456 HG3 LYS 52 HG3 LYS 52 -2.363 -2.616 -13.949 457 HD2 LYS 52 HD2 LYS 52 0.206 -2.405 -15.575 458 HD3 LYS 52 HD3 LYS 52 -1.170 -1.306 -15.698 459 HE2 LYS 52 HE2 LYS 52 0.508 -1.733 -13.199 460 HE3 LYS 52 HE3 LYS 52 0.680 -0.383 -14.319 461 HZ1 LYS 52 HZ1 LYS 52 -0.611 0.302 -12.447 462 HZ2 LYS 52 HZ2 LYS 52 -1.685 -0.991 -12.626 463 HZ3 LYS 52 HZ3 LYS 52 -1.642 0.232 -13.788 464 H MET 53 H MET 53 -2.016 -5.491 -10.477 465 HA MET 53 HA MET 53 0.565 -6.528 -9.859 466 HB2 MET 53 HB2 MET 53 -0.785 -4.921 -8.460 467 HB3 MET 53 HB3 MET 53 -1.910 -6.223 -8.096 468 HG2 MET 53 HG2 MET 53 -0.092 -7.464 -7.026 469 HG3 MET 53 HG3 MET 53 1.011 -6.138 -7.366 470 HE1 MET 53 HE1 MET 53 0.800 -3.709 -6.182 471 HE2 MET 53 HE2 MET 53 -0.465 -3.310 -5.018 472 HE3 MET 53 HE3 MET 53 -0.877 -3.561 -6.716 473 H ASN 54 H ASN 54 1.163 -8.587 -9.144 474 HA ASN 54 HA ASN 54 -0.424 -10.857 -9.978 475 HB2 ASN 54 HB2 ASN 54 2.265 -10.710 -8.546 476 HB3 ASN 54 HB3 ASN 54 1.534 -12.206 -9.124 477 HD21 ASN 54 HD21 ASN 54 4.070 -10.884 -9.865 478 HD22 ASN 54 HD22 ASN 54 4.005 -10.705 -11.579 479 H GLU 55 H GLU 55 -0.930 -12.690 -8.631 480 HA GLU 55 HA GLU 55 -2.552 -12.294 -6.458 481 HB2 GLU 55 HB2 GLU 55 -0.986 -14.871 -6.884 482 HB3 GLU 55 HB3 GLU 55 -2.557 -14.687 -6.123 483 HG2 GLU 55 HG2 GLU 55 -3.160 -15.570 -8.171 484 HG3 GLU 55 HG3 GLU 55 -3.323 -13.846 -8.494 485 H GLU 56 H GLU 56 0.783 -13.482 -6.363 486 HA GLU 56 HA GLU 56 1.162 -13.624 -3.573 487 HB2 GLU 56 HB2 GLU 56 3.636 -13.593 -4.191 488 HB3 GLU 56 HB3 GLU 56 2.658 -14.828 -4.976 489 HG2 GLU 56 HG2 GLU 56 2.561 -13.461 -7.034 490 HG3 GLU 56 HG3 GLU 56 3.535 -12.211 -6.257 491 H GLU 57 H GLU 57 1.824 -10.962 -5.850 492 HA GLU 57 HA GLU 57 3.036 -9.170 -3.992 493 HB2 GLU 57 HB2 GLU 57 1.642 -8.560 -6.623 494 HB3 GLU 57 HB3 GLU 57 2.635 -7.419 -5.717 495 HG2 GLU 57 HG2 GLU 57 4.593 -8.926 -6.068 496 HG3 GLU 57 HG3 GLU 57 3.577 -9.967 -7.069 497 H LEU 58 H LEU 58 -0.313 -9.780 -4.892 498 HA LEU 58 HA LEU 58 -1.580 -7.574 -3.668 499 HB2 LEU 58 HB2 LEU 58 -2.556 -10.418 -4.139 500 HB3 LEU 58 HB3 LEU 58 -3.592 -9.138 -3.531 501 HG LEU 58 HG LEU 58 -2.254 -9.183 -6.269 502 HD11 LEU 58 HD11 LEU 58 -5.181 -9.467 -5.544 503 HD12 LEU 58 HD12 LEU 58 -4.120 -10.762 -6.104 504 HD13 LEU 58 HD13 LEU 58 -4.505 -9.418 -7.178 505 HD21 LEU 58 HD21 LEU 58 -3.538 -7.162 -6.774 506 HD22 LEU 58 HD22 LEU 58 -2.432 -6.888 -5.432 507 HD23 LEU 58 HD23 LEU 58 -4.153 -7.121 -5.118 508 H GLU 59 H GLU 59 -0.511 -10.701 -2.316 509 HA GLU 59 HA GLU 59 -1.490 -10.211 0.353 510 HB2 GLU 59 HB2 GLU 59 0.509 -12.215 -0.745 511 HB3 GLU 59 HB3 GLU 59 0.012 -12.164 0.946 512 HG2 GLU 59 HG2 GLU 59 -2.307 -12.615 0.319 513 HG3 GLU 59 HG3 GLU 59 -1.874 -12.576 -1.394 514 H GLU 60 H GLU 60 1.512 -9.525 -1.346 515 HA GLU 60 HA GLU 60 3.024 -8.598 0.878 516 HB2 GLU 60 HB2 GLU 60 3.946 -9.151 -1.411 517 HB3 GLU 60 HB3 GLU 60 3.217 -7.673 -2.020 518 HG2 GLU 60 HG2 GLU 60 5.582 -7.328 -1.612 519 HG3 GLU 60 HG3 GLU 60 4.634 -6.338 -0.501 520 H TYR 61 H TYR 61 0.775 -6.983 -1.381 521 HA TYR 61 HA TYR 61 0.851 -4.394 -0.242 522 HB2 TYR 61 HB2 TYR 61 -0.063 -4.829 -2.506 523 HB3 TYR 61 HB3 TYR 61 -1.412 -5.717 -1.802 524 HD1 TYR 61 HD2 TYR 61 0.232 -2.331 -1.490 525 HD2 TYR 61 HD1 TYR 61 -3.450 -4.504 -1.565 526 HE1 TYR 61 HE2 TYR 61 -1.020 -0.231 -1.286 527 HE2 TYR 61 HE1 TYR 61 -4.699 -2.396 -1.350 528 HH TYR 61 HH TYR 61 -3.312 0.634 -1.812 529 H ASP 62 H ASP 62 -1.089 -7.272 0.504 530 HA ASP 62 HA ASP 62 -2.832 -6.209 2.449 531 HB2 ASP 62 HB2 ASP 62 -2.942 -8.536 1.448 532 HB3 ASP 62 HB3 ASP 62 -1.579 -8.996 2.456 533 H SER 63 H SER 63 0.472 -7.507 2.737 534 HA SER 63 HA SER 63 0.886 -7.191 5.506 535 HB2 SER 63 HB2 SER 63 2.925 -7.022 3.250 536 HB3 SER 63 HB3 SER 63 3.319 -7.229 4.959 537 HG SER 63 HG SER 63 1.585 -9.022 3.627 538 H LEU 64 H LEU 64 1.345 -4.881 2.830 539 HA LEU 64 HA LEU 64 2.381 -2.710 4.332 540 HB2 LEU 64 HB2 LEU 64 2.471 -2.958 1.827 541 HB3 LEU 64 HB3 LEU 64 0.750 -2.626 1.763 542 HG LEU 64 HG LEU 64 1.189 -0.343 2.703 543 HD11 LEU 64 HD11 LEU 64 4.122 -1.059 2.380 544 HD12 LEU 64 HD12 LEU 64 3.273 -0.751 3.899 545 HD13 LEU 64 HD13 LEU 64 3.489 0.553 2.734 546 HD21 LEU 64 HD21 LEU 64 2.658 -0.977 0.115 547 HD22 LEU 64 HD22 LEU 64 2.127 0.629 0.626 548 HD23 LEU 64 HD23 LEU 64 0.935 -0.623 0.284 549 H LEU 65 H LEU 65 -0.921 -3.776 3.643 550 HA LEU 65 HA LEU 65 -2.301 -1.575 4.879 551 HB2 LEU 65 HB2 LEU 65 -3.229 -4.402 4.254 552 HB3 LEU 65 HB3 LEU 65 -4.291 -3.078 4.722 553 HG LEU 65 HG LEU 65 -2.554 -2.988 2.222 554 HD11 LEU 65 HD11 LEU 65 -4.070 -4.882 2.006 555 HD12 LEU 65 HD12 LEU 65 -4.520 -3.581 0.909 556 HD13 LEU 65 HD13 LEU 65 -5.451 -3.849 2.384 557 HD21 LEU 65 HD21 LEU 65 -4.063 -1.197 1.506 558 HD22 LEU 65 HD22 LEU 65 -3.291 -0.793 3.040 559 HD23 LEU 65 HD23 LEU 65 -4.972 -1.336 3.015 560 H ASN 66 H ASN 66 -0.813 -4.506 6.112 561 HA ASN 66 HA ASN 66 -1.953 -4.226 8.791 562 HB2 ASN 66 HB2 ASN 66 0.191 -6.100 7.696 563 HB3 ASN 66 HB3 ASN 66 -0.299 -6.081 9.386 564 HD21 ASN 66 HD21 ASN 66 -1.048 -7.250 6.262 565 HD22 ASN 66 HD22 ASN 66 -2.518 -8.050 6.662 566 H GLU 67 H GLU 67 0.428 -2.527 7.141 567 HA GLU 67 HA GLU 67 2.080 -1.909 9.486 568 HB2 GLU 67 HB2 GLU 67 2.119 -0.639 6.712 569 HB3 GLU 67 HB3 GLU 67 3.315 -0.386 7.982 570 HG2 GLU 67 HG2 GLU 67 2.766 -3.000 6.545 571 HG3 GLU 67 HG3 GLU 67 4.110 -1.911 6.215 572 H LEU 68 H LEU 68 2.332 0.309 10.257 573 HA LEU 68 HA LEU 68 -0.146 1.662 10.727 574 HB2 LEU 68 HB2 LEU 68 2.084 1.355 12.191 575 HB3 LEU 68 HB3 LEU 68 2.517 2.881 11.449 576 HG LEU 68 HG LEU 68 0.010 2.414 13.094 577 HD11 LEU 68 HD11 LEU 68 2.615 3.713 13.954 578 HD12 LEU 68 HD12 LEU 68 1.991 2.153 14.498 579 HD13 LEU 68 HD13 LEU 68 1.133 3.633 14.916 580 HD21 LEU 68 HD21 LEU 68 -0.174 4.878 13.192 581 HD22 LEU 68 HD22 LEU 68 -0.271 4.290 11.536 582 HD23 LEU 68 HD23 LEU 68 1.222 5.030 12.119 583 H ASP 69 H ASP 69 -0.943 3.451 9.760 584 HA ASP 69 HA ASP 69 -0.414 4.219 7.209 585 HB2 ASP 69 HB2 ASP 69 -1.709 6.386 7.772 586 HB3 ASP 69 HB3 ASP 69 -2.508 4.847 8.054 587 H TRP 70 H TRP 70 0.750 6.159 10.037 588 HA TRP 70 HA TRP 70 2.109 8.158 8.689 589 HB2 TRP 70 HB2 TRP 70 2.768 6.877 11.361 590 HB3 TRP 70 HB3 TRP 70 3.651 8.269 10.744 591 HD1 TRP 70 HD1 TRP 70 0.849 7.556 12.953 592 HE1 TRP 70 HE1 TRP 70 -0.622 9.631 13.288 593 HE3 TRP 70 HE3 TRP 70 2.580 10.420 9.073 594 HZ2 TRP 70 HZ2 TRP 70 -1.019 12.139 12.064 595 HZ3 TRP 70 HZ3 TRP 70 1.588 12.641 8.709 596 HH2 TRP 70 HH2 TRP 70 -0.182 13.476 10.166 597 H ASP 71 H ASP 71 3.451 4.969 9.635 598 HA ASP 71 HA ASP 71 6.064 5.260 8.666 599 HB2 ASP 71 HB2 ASP 71 4.285 2.804 8.927 600 HB3 ASP 71 HB3 ASP 71 5.975 2.702 8.457 601 H ILE 72 H ILE 72 3.241 3.823 7.024 602 HA ILE 72 HA ILE 72 4.301 3.122 4.552 603 HB ILE 72 HB ILE 72 1.507 4.225 5.083 604 HG12 ILE 72 HG12 ILE 72 2.370 1.299 5.150 605 HG13 ILE 72 HG13 ILE 72 2.190 2.297 6.589 606 HG21 ILE 72 HG21 ILE 72 2.443 2.403 2.833 607 HG22 ILE 72 HG22 ILE 72 1.964 4.094 2.671 608 HG23 ILE 72 HG23 ILE 72 0.770 2.885 3.140 609 HD11 ILE 72 HD11 ILE 72 0.256 0.878 6.242 610 HD12 ILE 72 HD12 ILE 72 -0.011 1.584 4.649 611 HD13 ILE 72 HD13 ILE 72 -0.193 2.578 6.097 612 H TYR 73 H TYR 73 2.960 6.271 5.539 613 HA TYR 73 HA TYR 73 3.083 7.495 2.956 614 HB2 TYR 73 HB2 TYR 73 1.499 8.151 4.825 615 HB3 TYR 73 HB3 TYR 73 2.864 8.893 5.653 616 HD1 TYR 73 HD2 TYR 73 1.246 8.946 2.251 617 HD2 TYR 73 HD1 TYR 73 3.114 11.238 5.341 618 HE1 TYR 73 HE2 TYR 73 0.855 10.998 0.962 619 HE2 TYR 73 HE1 TYR 73 2.717 13.299 4.046 620 HH TYR 73 HH TYR 73 0.591 13.488 1.490 621 H TYR 74 H TYR 74 5.198 7.642 5.846 622 HA TYR 74 HA TYR 74 6.979 9.619 4.714 623 HB2 TYR 74 HB2 TYR 74 7.179 7.910 7.214 624 HB3 TYR 74 HB3 TYR 74 8.415 9.078 6.750 625 HD1 TYR 74 HD1 TYR 74 7.055 11.450 5.910 626 HD2 TYR 74 HD2 TYR 74 5.914 8.759 9.022 627 HE1 TYR 74 HE1 TYR 74 5.842 13.264 7.030 628 HE2 TYR 74 HE2 TYR 74 4.693 10.573 10.136 629 HH TYR 74 HH TYR 74 4.689 13.028 10.226 630 H TRP 75 H TRP 75 6.892 6.124 4.635 631 HA TRP 75 HA TRP 75 9.560 5.731 3.660 632 HB2 TRP 75 HB2 TRP 75 7.056 4.050 3.258 633 HB3 TRP 75 HB3 TRP 75 8.678 3.548 2.805 634 HD1 TRP 75 HD1 TRP 75 9.898 4.708 5.754 635 HE1 TRP 75 HE1 TRP 75 9.582 3.139 7.759 636 HE3 TRP 75 HE3 TRP 75 6.118 1.764 3.932 637 HZ2 TRP 75 HZ2 TRP 75 7.973 0.956 8.493 638 HZ3 TRP 75 HZ3 TRP 75 5.243 -0.042 5.360 639 HH2 TRP 75 HH2 TRP 75 6.153 -0.436 7.596 640 H ALA 76 H ALA 76 6.394 6.154 2.124 641 HA ALA 76 HA ALA 76 7.139 5.920 -0.585 642 HB1 ALA 76 HB1 ALA 76 4.820 5.754 0.227 643 HB2 ALA 76 HB2 ALA 76 4.961 6.954 -1.059 644 HB3 ALA 76 HB3 ALA 76 4.829 7.473 0.626 645 H THR 77 H THR 77 6.700 8.826 1.447 646 HA THR 77 HA THR 77 7.495 10.705 -0.588 647 HB THR 77 HB THR 77 7.313 12.428 1.193 648 HG1 THR 77 HG1 THR 77 6.723 11.747 3.318 649 HG21 THR 77 HG21 THR 77 4.992 10.452 1.255 650 HG22 THR 77 HG22 THR 77 5.229 11.726 0.056 651 HG23 THR 77 HG23 THR 77 4.918 12.152 1.739 652 H LYS 78 H LYS 78 9.356 8.579 1.130 653 HA LYS 78 HA LYS 78 11.574 8.253 1.372 654 HB2 LYS 78 HB2 LYS 78 11.899 10.750 -0.348 655 HB3 LYS 78 HB3 LYS 78 13.171 9.579 0.001 656 HG2 LYS 78 HG2 LYS 78 11.930 7.837 -1.214 657 HG3 LYS 78 HG3 LYS 78 10.606 8.971 -1.514 658 HD2 LYS 78 HD2 LYS 78 12.209 10.421 -2.798 659 HD3 LYS 78 HD3 LYS 78 13.455 9.187 -2.570 660 HE2 LYS 78 HE2 LYS 78 12.434 8.992 -4.790 661 HE3 LYS 78 HE3 LYS 78 12.061 7.568 -3.821 662 HZ1 LYS 78 HZ1 LYS 78 9.870 8.496 -3.374 663 HZ2 LYS 78 HZ2 LYS 78 10.135 8.355 -5.039 664 HZ3 LYS 78 HZ3 LYS 78 10.237 9.867 -4.294 665 H ASN 79 H ASN 79 10.069 9.970 3.242 666 HA ASN 79 HA ASN 79 11.700 11.993 4.372 667 HB2 ASN 79 HB2 ASN 79 9.283 11.856 4.799 668 HB3 ASN 79 HB3 ASN 79 9.474 10.294 5.575 669 HD21 ASN 79 HD21 ASN 79 9.770 13.725 5.945 670 HD22 ASN 79 HD22 ASN 79 10.073 13.723 7.645 671 H PHE 80 H PHE 80 10.917 8.858 5.935 672 HA PHE 80 HA PHE 80 12.034 7.372 7.203 673 HB2 PHE 80 HB2 PHE 80 14.562 8.323 5.801 674 HB3 PHE 80 HB3 PHE 80 14.372 6.811 6.680 675 HD1 PHE 80 HD1 PHE 80 12.038 5.514 5.757 676 HD2 PHE 80 HD2 PHE 80 14.693 7.983 3.486 677 HE1 PHE 80 HE1 PHE 80 11.353 4.368 3.690 678 HE2 PHE 80 HE2 PHE 80 13.996 6.833 1.423 679 HZ PHE 80 HZ PHE 80 12.325 5.024 1.525 680 H LYS 81 H LYS 81 12.267 10.533 7.850 681 HA LYS 81 HA LYS 81 14.454 10.668 9.731 682 HB2 LYS 81 HB2 LYS 81 12.167 12.648 9.292 683 HB3 LYS 81 HB3 LYS 81 13.681 12.972 10.134 684 HG2 LYS 81 HG2 LYS 81 13.349 12.406 7.167 685 HG3 LYS 81 HG3 LYS 81 13.660 13.982 7.904 686 HD2 LYS 81 HD2 LYS 81 15.866 13.131 8.718 687 HD3 LYS 81 HD3 LYS 81 15.545 11.585 7.923 688 HE2 LYS 81 HE2 LYS 81 15.829 14.280 6.538 689 HE3 LYS 81 HE3 LYS 81 17.026 12.982 6.549 690 HZ1 LYS 81 HZ1 LYS 81 15.781 12.953 4.500 691 HZ2 LYS 81 HZ2 LYS 81 14.319 12.862 5.335 692 HZ3 LYS 81 HZ3 LYS 81 15.403 11.569 5.399 693 H THR 82 H THR 82 10.916 11.067 10.034 694 HA THR 82 HA THR 82 10.945 10.534 12.911 695 HB THR 82 HB THR 82 9.526 12.351 12.269 696 HG1 THR 82 HG1 THR 82 8.656 10.821 13.860 697 HG21 THR 82 HG21 THR 82 7.625 12.157 10.713 698 HG22 THR 82 HG22 THR 82 8.071 10.488 10.360 699 HG23 THR 82 HG23 THR 82 9.150 11.805 9.893 700 H SER 83 H SER 83 9.888 8.925 9.947 701 HA SER 83 HA SER 83 9.373 6.434 11.495 702 HB2 SER 83 HB2 SER 83 7.974 7.312 8.927 703 HB3 SER 83 HB3 SER 83 7.746 5.759 9.733 704 HG SER 83 HG SER 83 7.184 8.311 10.868 705 HA PRO 84 HA PRO 84 13.079 5.541 8.847 706 HB2 PRO 84 HB2 PRO 84 13.622 3.452 10.904 707 HB3 PRO 84 HB3 PRO 84 14.642 4.793 10.369 708 HG2 PRO 84 HG2 PRO 84 13.476 4.813 12.798 709 HG3 PRO 84 HG3 PRO 84 13.665 6.307 11.855 710 HD2 PRO 84 HD2 PRO 84 11.203 4.565 12.155 711 HD3 PRO 84 HD3 PRO 84 11.353 6.337 12.274 712 H LEU 85 H LEU 85 13.822 3.570 7.707 713 HA LEU 85 HA LEU 85 11.540 1.913 6.916 714 HB2 LEU 85 HB2 LEU 85 12.935 3.174 5.238 715 HB3 LEU 85 HB3 LEU 85 14.292 2.135 5.639 716 HG LEU 85 HG LEU 85 12.987 0.156 4.845 717 HD11 LEU 85 HD11 LEU 85 10.915 0.477 3.565 718 HD12 LEU 85 HD12 LEU 85 10.916 2.195 3.965 719 HD13 LEU 85 HD13 LEU 85 10.716 0.989 5.239 720 HD21 LEU 85 HD21 LEU 85 13.287 2.366 2.783 721 HD22 LEU 85 HD22 LEU 85 13.149 0.640 2.433 722 HD23 LEU 85 HD23 LEU 85 14.551 1.249 3.310 723 HA PRO 86 HA PRO 86 13.438 -1.737 8.991 724 HB2 PRO 86 HB2 PRO 86 11.023 -3.202 8.127 725 HB3 PRO 86 HB3 PRO 86 11.571 -2.841 9.763 726 HG2 PRO 86 HG2 PRO 86 9.374 -1.667 8.681 727 HG3 PRO 86 HG3 PRO 86 10.415 -0.832 9.856 728 HD2 PRO 86 HD2 PRO 86 10.388 -0.585 6.837 729 HD3 PRO 86 HD3 PRO 86 10.447 0.699 8.070 730 H ASP 87 H ASP 87 14.167 -3.829 8.271 731 HA ASP 87 HA ASP 87 15.317 -3.873 5.696 732 HB2 ASP 87 HB2 ASP 87 14.998 -6.241 7.590 733 HB3 ASP 87 HB3 ASP 87 16.185 -6.088 6.297 734 H LYS 88 H LYS 88 12.347 -5.295 6.876 735 HA LYS 88 HA LYS 88 11.698 -7.154 4.904 736 HB2 LYS 88 HB2 LYS 88 9.300 -6.737 5.574 737 HB3 LYS 88 HB3 LYS 88 10.389 -7.030 6.926 738 HG2 LYS 88 HG2 LYS 88 10.502 -4.573 7.333 739 HG3 LYS 88 HG3 LYS 88 9.340 -4.325 6.031 740 HD2 LYS 88 HD2 LYS 88 8.819 -5.868 8.608 741 HD3 LYS 88 HD3 LYS 88 8.286 -4.219 8.275 742 HE2 LYS 88 HE2 LYS 88 6.920 -5.104 6.366 743 HE3 LYS 88 HE3 LYS 88 7.388 -6.741 6.836 744 HZ1 LYS 88 HZ1 LYS 88 5.871 -4.805 8.498 745 HZ2 LYS 88 HZ2 LYS 88 6.334 -6.362 8.981 746 HZ3 LYS 88 HZ3 LYS 88 5.241 -6.163 7.713 747 H TRP 89 H TRP 89 11.202 -3.610 4.837 748 HA TRP 89 HA TRP 89 9.991 -3.763 2.154 749 HB2 TRP 89 HB2 TRP 89 10.260 -1.376 4.019 750 HB3 TRP 89 HB3 TRP 89 9.438 -1.365 2.461 751 HD1 TRP 89 HD1 TRP 89 8.693 -1.758 6.033 752 HE1 TRP 89 HE1 TRP 89 6.358 -2.763 6.379 753 HE3 TRP 89 HE3 TRP 89 7.759 -3.392 1.267 754 HZ2 TRP 89 HZ2 TRP 89 4.389 -4.101 4.873 755 HZ3 TRP 89 HZ3 TRP 89 5.628 -4.533 0.808 756 HH2 TRP 89 HH2 TRP 89 3.975 -4.877 2.574 757 H ALA 90 H ALA 90 13.018 -3.081 3.615 758 HA ALA 90 HA ALA 90 14.187 -1.115 2.031 759 HB1 ALA 90 HB1 ALA 90 15.202 -2.033 4.073 760 HB2 ALA 90 HB2 ALA 90 16.348 -2.065 2.731 761 HB3 ALA 90 HB3 ALA 90 15.534 -3.550 3.236 762 H ASN 91 H ASN 91 13.761 -4.532 1.289 763 HA ASN 91 HA ASN 91 15.026 -4.209 -1.377 764 HB2 ASN 91 HB2 ASN 91 15.189 -6.778 -1.275 765 HB3 ASN 91 HB3 ASN 91 16.234 -5.873 -0.187 766 HD21 ASN 91 HD21 ASN 91 16.438 -7.640 1.218 767 HD22 ASN 91 HD22 ASN 91 15.153 -8.140 2.260 768 H SER 92 H SER 92 12.037 -4.028 -0.152 769 HA SER 92 HA SER 92 10.547 -5.828 -1.894 770 HB2 SER 92 HB2 SER 92 9.617 -5.284 0.322 771 HB3 SER 92 HB3 SER 92 9.567 -3.572 -0.081 772 HG SER 92 HG SER 92 7.613 -5.166 -0.385 773 H LYS 93 H LYS 93 9.827 -5.378 -3.904 774 HA LYS 93 HA LYS 93 10.386 -2.915 -5.257 775 HB2 LYS 93 HB2 LYS 93 8.619 -5.245 -6.098 776 HB3 LYS 93 HB3 LYS 93 9.088 -3.908 -7.148 777 HG2 LYS 93 HG2 LYS 93 11.499 -4.601 -6.824 778 HG3 LYS 93 HG3 LYS 93 10.913 -6.018 -5.945 779 HD2 LYS 93 HD2 LYS 93 11.373 -6.637 -8.264 780 HD3 LYS 93 HD3 LYS 93 9.633 -6.720 -7.969 781 HE2 LYS 93 HE2 LYS 93 9.427 -4.418 -8.997 782 HE3 LYS 93 HE3 LYS 93 11.136 -4.513 -9.428 783 HZ1 LYS 93 HZ1 LYS 93 10.627 -6.478 -10.750 784 HZ2 LYS 93 HZ2 LYS 93 9.726 -5.143 -11.265 785 HZ3 LYS 93 HZ3 LYS 93 8.995 -6.352 -10.339 786 H LEU 94 H LEU 94 7.445 -4.319 -3.810 787 HA LEU 94 HA LEU 94 5.411 -2.647 -4.646 788 HB2 LEU 94 HB2 LEU 94 5.048 -4.598 -3.184 789 HB3 LEU 94 HB3 LEU 94 5.891 -3.795 -1.870 790 HG LEU 94 HG LEU 94 4.023 -2.001 -1.970 791 HD11 LEU 94 HD11 LEU 94 2.590 -4.145 -3.555 792 HD12 LEU 94 HD12 LEU 94 3.072 -2.546 -4.139 793 HD13 LEU 94 HD13 LEU 94 1.855 -2.688 -2.868 794 HD21 LEU 94 HD21 LEU 94 3.285 -4.791 -1.058 795 HD22 LEU 94 HD22 LEU 94 2.513 -3.287 -0.545 796 HD23 LEU 94 HD23 LEU 94 4.197 -3.592 -0.136 797 H LEU 95 H LEU 95 7.652 -2.130 -1.947 798 HA LEU 95 HA LEU 95 6.757 0.350 -1.000 799 HB2 LEU 95 HB2 LEU 95 8.374 -1.068 0.219 800 HB3 LEU 95 HB3 LEU 95 9.576 -0.792 -1.034 801 HG LEU 95 HG LEU 95 9.309 1.743 -0.450 802 HD11 LEU 95 HD11 LEU 95 8.619 2.245 1.828 803 HD12 LEU 95 HD12 LEU 95 8.127 0.570 2.074 804 HD13 LEU 95 HD13 LEU 95 7.293 1.575 0.884 805 HD21 LEU 95 HD21 LEU 95 11.346 0.475 0.009 806 HD22 LEU 95 HD22 LEU 95 10.677 -0.065 1.550 807 HD23 LEU 95 HD23 LEU 95 11.005 1.649 1.278 808 H LYS 96 H LYS 96 9.176 -0.405 -3.479 809 HA LYS 96 HA LYS 96 10.049 2.286 -3.933 810 HB2 LYS 96 HB2 LYS 96 10.433 -0.211 -5.645 811 HB3 LYS 96 HB3 LYS 96 11.325 1.305 -5.831 812 HG2 LYS 96 HG2 LYS 96 12.271 1.035 -3.564 813 HG3 LYS 96 HG3 LYS 96 11.359 -0.465 -3.356 814 HD2 LYS 96 HD2 LYS 96 12.639 -1.501 -5.198 815 HD3 LYS 96 HD3 LYS 96 13.538 0.004 -5.432 816 HE2 LYS 96 HE2 LYS 96 14.422 -0.213 -3.097 817 HE3 LYS 96 HE3 LYS 96 13.585 -1.763 -2.950 818 HZ1 LYS 96 HZ1 LYS 96 14.923 -2.601 -4.776 819 HZ2 LYS 96 HZ2 LYS 96 15.907 -2.044 -3.520 820 HZ3 LYS 96 HZ3 LYS 96 15.713 -1.115 -4.921 821 H GLN 97 H GLN 97 7.558 0.277 -5.384 822 HA GLN 97 HA GLN 97 6.844 2.039 -7.542 823 HB2 GLN 97 HB2 GLN 97 5.147 -0.071 -6.136 824 HB3 GLN 97 HB3 GLN 97 4.789 0.667 -7.692 825 HG2 GLN 97 HG2 GLN 97 7.217 -1.066 -7.141 826 HG3 GLN 97 HG3 GLN 97 5.705 -1.662 -7.814 827 HE21 GLN 97 HE21 GLN 97 6.858 -2.399 -9.651 828 HE22 GLN 97 HE22 GLN 97 7.378 -1.306 -10.882 829 H LEU 98 H LEU 98 5.835 1.652 -4.185 830 HA LEU 98 HA LEU 98 3.775 3.619 -4.091 831 HB2 LEU 98 HB2 LEU 98 4.164 1.763 -2.421 832 HB3 LEU 98 HB3 LEU 98 5.580 2.626 -1.848 833 HG LEU 98 HG LEU 98 4.032 4.544 -1.191 834 HD11 LEU 98 HD11 LEU 98 2.125 4.034 -2.614 835 HD12 LEU 98 HD12 LEU 98 1.635 4.056 -0.923 836 HD13 LEU 98 HD13 LEU 98 1.853 2.514 -1.756 837 HD21 LEU 98 HD21 LEU 98 3.288 3.485 0.892 838 HD22 LEU 98 HD22 LEU 98 4.919 2.965 0.476 839 HD23 LEU 98 HD23 LEU 98 3.551 1.883 0.195 840 H GLN 99 H GLN 99 7.287 3.769 -3.545 841 HA GLN 99 HA GLN 99 7.487 6.486 -2.736 842 HB2 GLN 99 HB2 GLN 99 9.549 4.648 -4.004 843 HB3 GLN 99 HB3 GLN 99 9.922 6.277 -3.436 844 HG2 GLN 99 HG2 GLN 99 9.125 5.562 -1.148 845 HG3 GLN 99 HG3 GLN 99 9.017 3.915 -1.767 846 HE21 GLN 99 HE21 GLN 99 10.586 3.215 -0.267 847 HE22 GLN 99 HE22 GLN 99 12.257 3.589 -0.445 848 H GLU 100 H GLU 100 7.589 4.948 -5.920 849 HA GLU 100 HA GLU 100 7.920 7.269 -7.504 850 HB2 GLU 100 HB2 GLU 100 6.535 4.609 -8.010 851 HB3 GLU 100 HB3 GLU 100 6.520 5.885 -9.223 852 HG2 GLU 100 HG2 GLU 100 9.037 4.646 -8.072 853 HG3 GLU 100 HG3 GLU 100 8.273 4.146 -9.580 854 H PHE 101 H PHE 101 4.947 5.617 -6.378 855 HA PHE 101 HA PHE 101 3.110 7.254 -7.714 856 HB2 PHE 101 HB2 PHE 101 2.540 5.001 -6.856 857 HB3 PHE 101 HB3 PHE 101 2.626 5.602 -5.199 858 HD1 PHE 101 HD2 PHE 101 0.905 6.396 -8.446 859 HD2 PHE 101 HD1 PHE 101 0.581 6.273 -4.182 860 HE1 PHE 101 HE2 PHE 101 -1.423 7.159 -8.593 861 HE2 PHE 101 HE1 PHE 101 -1.749 7.049 -4.354 862 HZ PHE 101 HZ PHE 101 -2.747 7.491 -6.555 863 H SER 102 H SER 102 4.431 7.603 -4.429 864 HA SER 102 HA SER 102 2.882 9.695 -3.422 865 HB2 SER 102 HB2 SER 102 4.748 10.213 -1.937 866 HB3 SER 102 HB3 SER 102 4.662 8.464 -2.153 867 HG SER 102 HG SER 102 6.598 8.524 -2.955 868 H GLU 103 H GLU 103 5.675 9.907 -5.616 869 HA GLU 103 HA GLU 103 5.572 12.806 -5.854 870 HB2 GLU 103 HB2 GLU 103 7.092 10.849 -7.639 871 HB3 GLU 103 HB3 GLU 103 7.391 12.578 -7.439 872 HG2 GLU 103 HG2 GLU 103 7.922 12.080 -4.995 873 HG3 GLU 103 HG3 GLU 103 7.867 10.368 -5.428 874 H ASN 104 H ASN 104 4.382 10.021 -7.668 875 HA ASN 104 HA ASN 104 3.464 11.666 -9.929 876 HB2 ASN 104 HB2 ASN 104 3.467 8.633 -9.608 877 HB3 ASN 104 HB3 ASN 104 3.051 9.512 -11.078 878 HD21 ASN 104 HD21 ASN 104 5.536 8.025 -9.416 879 HD22 ASN 104 HD22 ASN 104 6.886 8.667 -10.269 880 H LYS 105 H LYS 105 2.133 11.616 -7.188 881 HA LYS 105 HA LYS 105 -0.473 10.582 -7.279 882 HB2 LYS 105 HB2 LYS 105 0.491 13.202 -6.049 883 HB3 LYS 105 HB3 LYS 105 -1.076 12.474 -5.720 884 HG2 LYS 105 HG2 LYS 105 1.559 11.114 -5.101 885 HG3 LYS 105 HG3 LYS 105 0.701 12.136 -3.952 886 HD2 LYS 105 HD2 LYS 105 -0.727 9.777 -5.207 887 HD3 LYS 105 HD3 LYS 105 0.412 9.504 -3.890 888 HE2 LYS 105 HE2 LYS 105 -1.911 9.667 -3.071 889 HE3 LYS 105 HE3 LYS 105 -0.898 10.945 -2.409 890 HZ1 LYS 105 HZ1 LYS 105 -1.862 12.503 -3.936 891 HZ2 LYS 105 HZ2 LYS 105 -3.102 11.713 -3.103 892 HZ3 LYS 105 HZ3 LYS 105 -2.750 11.285 -4.702 893 H GLU 106 H GLU 106 0.782 13.678 -8.478 894 HA GLU 106 HA GLU 106 -1.783 14.338 -9.786 895 HB2 GLU 106 HB2 GLU 106 0.615 16.099 -9.121 896 HB3 GLU 106 HB3 GLU 106 -0.886 16.660 -9.862 897 HG2 GLU 106 HG2 GLU 106 -2.129 15.966 -7.823 898 HG3 GLU 106 HG3 GLU 106 -0.614 15.445 -7.087 899 H LYS 107 H LYS 107 0.405 12.457 -10.810 900 HA LYS 107 HA LYS 107 0.687 13.601 -13.523 901 HB2 LYS 107 HB2 LYS 107 2.870 12.980 -12.552 902 HB3 LYS 107 HB3 LYS 107 2.275 11.372 -12.151 903 HG2 LYS 107 HG2 LYS 107 2.048 10.851 -14.546 904 HG3 LYS 107 HG3 LYS 107 2.615 12.471 -14.965 905 HD2 LYS 107 HD2 LYS 107 4.809 11.998 -13.998 906 HD3 LYS 107 HD3 LYS 107 4.257 10.428 -13.408 907 HE2 LYS 107 HE2 LYS 107 5.609 10.135 -15.414 908 HE3 LYS 107 HE3 LYS 107 3.940 9.691 -15.769 909 HZ1 LYS 107 HZ1 LYS 107 5.256 12.256 -16.475 910 HZ2 LYS 107 HZ2 LYS 107 3.640 11.876 -16.791 911 HZ3 LYS 107 HZ3 LYS 107 4.876 11.007 -17.546 912 H GLU 108 H GLU 108 -1.465 13.127 -14.048 913 HA GLU 108 HA GLU 108 -2.496 10.409 -13.623 914 HB2 GLU 108 HB2 GLU 108 -3.525 12.513 -12.516 915 HB3 GLU 108 HB3 GLU 108 -4.125 12.934 -14.119 916 HG2 GLU 108 HG2 GLU 108 -5.342 10.782 -14.187 917 HG3 GLU 108 HG3 GLU 108 -4.754 10.417 -12.566 918 H ILE 109 H ILE 109 -3.739 9.400 -15.249 919 HA ILE 109 HA ILE 109 -2.812 9.918 -17.967 920 HB ILE 109 HB ILE 109 -4.510 7.606 -16.889 921 HG12 ILE 109 HG12 ILE 109 -2.330 6.250 -17.316 922 HG13 ILE 109 HG13 ILE 109 -1.502 7.797 -17.405 923 HG21 ILE 109 HG21 ILE 109 -3.196 7.903 -19.616 924 HG22 ILE 109 HG22 ILE 109 -4.928 7.932 -19.279 925 HG23 ILE 109 HG23 ILE 109 -4.008 6.450 -19.025 926 HD11 ILE 109 HD11 ILE 109 -2.978 6.701 -15.012 927 HD12 ILE 109 HD12 ILE 109 -2.134 8.250 -15.083 928 HD13 ILE 109 HD13 ILE 109 -1.232 6.746 -15.244 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -38.502 -23.850 -21.221 2 H2 MET 1 H2 MET 1 -37.253 -22.774 -20.863 3 H3 MET 1 H3 MET 1 -37.609 -24.030 -19.796 4 HA MET 1 HA MET 1 -36.944 -25.660 -21.443 5 HB2 MET 1 HB2 MET 1 -36.166 -23.216 -23.098 6 HB3 MET 1 HB3 MET 1 -35.759 -24.878 -23.513 7 HG2 MET 1 HG2 MET 1 -37.636 -24.156 -24.849 8 HG3 MET 1 HG3 MET 1 -38.189 -25.385 -23.713 9 HE1 MET 1 HE1 MET 1 -37.495 -21.474 -23.169 10 HE2 MET 1 HE2 MET 1 -39.139 -20.859 -23.335 11 HE3 MET 1 HE3 MET 1 -38.324 -21.574 -24.724 12 H GLY 2 H GLY 2 -35.126 -26.556 -20.569 13 HA2 GLY 2 HA2 GLY 2 -32.826 -26.785 -20.217 14 HA3 GLY 2 HA3 GLY 2 -32.600 -25.076 -20.531 15 H HIS 3 H HIS 3 -34.355 -24.018 -18.564 16 HA HIS 3 HA HIS 3 -32.684 -23.985 -16.271 17 HB2 HIS 3 HB2 HIS 3 -35.533 -22.951 -16.636 18 HB3 HIS 3 HB3 HIS 3 -34.498 -22.566 -15.266 19 HD1 HIS 3 HD1 HIS 3 -32.855 -20.676 -15.558 20 HD2 HIS 3 HD2 HIS 3 -34.658 -21.765 -19.135 21 HE1 HIS 3 HE1 HIS 3 -32.186 -18.913 -17.208 22 HE2 HIS 3 HE2 HIS 3 -33.204 -19.640 -19.387 23 H HIS 4 H HIS 4 -32.489 -25.675 -14.879 24 HA HIS 4 HA HIS 4 -34.889 -27.290 -14.144 25 HB2 HIS 4 HB2 HIS 4 -33.484 -29.276 -14.062 26 HB3 HIS 4 HB3 HIS 4 -33.277 -28.510 -15.631 27 HD1 HIS 4 HD1 HIS 4 -30.982 -27.138 -15.945 28 HD2 HIS 4 HD2 HIS 4 -31.155 -29.642 -12.636 29 HE1 HIS 4 HE1 HIS 4 -28.602 -27.426 -15.197 30 HE2 HIS 4 HE2 HIS 4 -28.754 -28.836 -13.126 31 H HIS 5 H HIS 5 -34.564 -28.529 -12.056 32 HA HIS 5 HA HIS 5 -33.534 -26.740 -9.943 33 HB2 HIS 5 HB2 HIS 5 -35.477 -29.091 -9.800 34 HB3 HIS 5 HB3 HIS 5 -34.980 -28.119 -8.418 35 HD1 HIS 5 HD1 HIS 5 -36.280 -26.015 -7.978 36 HD2 HIS 5 HD2 HIS 5 -37.060 -27.586 -11.745 37 HE1 HIS 5 HE1 HIS 5 -38.176 -24.654 -8.899 38 HE2 HIS 5 HE2 HIS 5 -38.721 -25.709 -11.111 39 H HIS 6 H HIS 6 -32.655 -27.855 -7.955 40 HA HIS 6 HA HIS 6 -30.333 -29.380 -8.646 41 HB2 HIS 6 HB2 HIS 6 -29.754 -29.222 -6.254 42 HB3 HIS 6 HB3 HIS 6 -30.275 -27.665 -6.874 43 HD1 HIS 6 HD1 HIS 6 -32.237 -26.560 -5.720 44 HD2 HIS 6 HD2 HIS 6 -31.623 -30.455 -4.423 45 HE1 HIS 6 HE1 HIS 6 -33.765 -26.858 -3.762 46 HE2 HIS 6 HE2 HIS 6 -33.224 -29.142 -2.870 47 H HIS 7 H HIS 7 -29.754 -31.517 -8.113 48 HA HIS 7 HA HIS 7 -31.814 -33.295 -6.921 49 HB2 HIS 7 HB2 HIS 7 -30.206 -33.885 -9.444 50 HB3 HIS 7 HB3 HIS 7 -31.143 -35.091 -8.577 51 HD1 HIS 7 HD1 HIS 7 -33.715 -34.994 -8.803 52 HD2 HIS 7 HD2 HIS 7 -31.740 -32.093 -11.028 53 HE1 HIS 7 HE1 HIS 7 -35.433 -34.075 -10.382 54 HE2 HIS 7 HE2 HIS 7 -34.181 -32.445 -11.825 55 H HIS 8 H HIS 8 -28.323 -33.237 -7.943 56 HA HIS 8 HA HIS 8 -27.666 -35.415 -6.171 57 HB2 HIS 8 HB2 HIS 8 -25.287 -35.017 -6.907 58 HB3 HIS 8 HB3 HIS 8 -26.425 -35.348 -8.199 59 HD1 HIS 8 HD1 HIS 8 -26.589 -33.655 -10.059 60 HD2 HIS 8 HD2 HIS 8 -24.337 -32.251 -6.866 61 HE1 HIS 8 HE1 HIS 8 -25.497 -31.555 -10.884 62 HE2 HIS 8 HE2 HIS 8 -24.244 -30.655 -8.900 63 H SER 9 H SER 9 -27.803 -35.094 -4.041 64 HA SER 9 HA SER 9 -26.929 -32.598 -2.789 65 HB2 SER 9 HB2 SER 9 -27.856 -33.615 -0.692 66 HB3 SER 9 HB3 SER 9 -29.033 -33.525 -2.002 67 HG SER 9 HG SER 9 -28.960 -35.552 -0.825 68 H HIS 10 H HIS 10 -24.667 -32.691 -3.131 69 HA HIS 10 HA HIS 10 -23.201 -34.418 -1.219 70 HB2 HIS 10 HB2 HIS 10 -22.395 -33.939 -4.127 71 HB3 HIS 10 HB3 HIS 10 -21.326 -34.633 -2.913 72 HD1 HIS 10 HD1 HIS 10 -23.413 -35.689 -5.548 73 HD2 HIS 10 HD2 HIS 10 -22.722 -37.088 -1.695 74 HE1 HIS 10 HE1 HIS 10 -24.212 -38.069 -5.551 75 HE2 HIS 10 HE2 HIS 10 -23.975 -38.814 -3.165 76 H MET 11 H MET 11 -21.220 -33.552 -0.442 77 HA MET 11 HA MET 11 -21.374 -30.652 -0.066 78 HB2 MET 11 HB2 MET 11 -19.583 -32.693 1.330 79 HB3 MET 11 HB3 MET 11 -19.881 -31.032 1.838 80 HG2 MET 11 HG2 MET 11 -21.913 -33.276 1.785 81 HG3 MET 11 HG3 MET 11 -21.130 -32.599 3.219 82 HE1 MET 11 HE1 MET 11 -24.324 -32.902 2.904 83 HE2 MET 11 HE2 MET 11 -24.875 -31.347 3.532 84 HE3 MET 11 HE3 MET 11 -23.574 -32.226 4.344 85 H ILE 12 H ILE 12 -20.235 -29.396 -1.496 86 HA ILE 12 HA ILE 12 -17.622 -30.282 -2.549 87 HB ILE 12 HB ILE 12 -19.262 -27.826 -3.348 88 HG12 ILE 12 HG12 ILE 12 -19.043 -30.524 -4.776 89 HG13 ILE 12 HG13 ILE 12 -20.456 -29.959 -3.891 90 HG21 ILE 12 HG21 ILE 12 -17.767 -27.716 -5.328 91 HG22 ILE 12 HG22 ILE 12 -16.843 -29.086 -4.712 92 HG23 ILE 12 HG23 ILE 12 -16.850 -27.560 -3.827 93 HD11 ILE 12 HD11 ILE 12 -20.723 -28.132 -5.523 94 HD12 ILE 12 HD12 ILE 12 -20.782 -29.727 -6.274 95 HD13 ILE 12 HD13 ILE 12 -19.326 -28.741 -6.416 96 H LYS 13 H LYS 13 -16.023 -29.839 -1.102 97 HA LYS 13 HA LYS 13 -16.007 -27.476 0.589 98 HB2 LYS 13 HB2 LYS 13 -15.190 -29.620 1.494 99 HB3 LYS 13 HB3 LYS 13 -13.956 -29.706 0.241 100 HG2 LYS 13 HG2 LYS 13 -12.945 -27.599 1.187 101 HG3 LYS 13 HG3 LYS 13 -14.120 -27.688 2.503 102 HD2 LYS 13 HD2 LYS 13 -13.165 -29.836 3.233 103 HD3 LYS 13 HD3 LYS 13 -12.041 -29.819 1.868 104 HE2 LYS 13 HE2 LYS 13 -11.035 -27.711 2.778 105 HE3 LYS 13 HE3 LYS 13 -12.105 -27.837 4.176 106 HZ1 LYS 13 HZ1 LYS 13 -11.053 -29.902 4.772 107 HZ2 LYS 13 HZ2 LYS 13 -9.879 -28.695 4.598 108 HZ3 LYS 13 HZ3 LYS 13 -10.081 -29.859 3.392 109 H ARG 14 H ARG 14 -15.622 -25.598 -0.516 110 HA ARG 14 HA ARG 14 -12.981 -25.217 -1.775 111 HB2 ARG 14 HB2 ARG 14 -15.638 -24.421 -3.033 112 HB3 ARG 14 HB3 ARG 14 -14.119 -23.659 -3.500 113 HG2 ARG 14 HG2 ARG 14 -13.245 -25.863 -4.214 114 HG3 ARG 14 HG3 ARG 14 -14.783 -26.609 -3.772 115 HD2 ARG 14 HD2 ARG 14 -15.947 -25.293 -5.477 116 HD3 ARG 14 HD3 ARG 14 -14.450 -24.437 -5.876 117 HE ARG 14 HE ARG 14 -13.782 -27.035 -6.261 118 HH11 ARG 14 HH11 ARG 14 -16.416 -25.153 -7.491 119 HH12 ARG 14 HH12 ARG 14 -16.483 -26.037 -8.968 120 HH21 ARG 14 HH21 ARG 14 -13.897 -28.131 -8.150 121 HH22 ARG 14 HH22 ARG 14 -15.069 -27.697 -9.342 122 H THR 15 H THR 15 -12.012 -23.335 -1.218 123 HA THR 15 HA THR 15 -13.173 -21.539 0.708 124 HB THR 15 HB THR 15 -11.015 -20.256 0.431 125 HG1 THR 15 HG1 THR 15 -10.078 -20.541 -1.456 126 HG21 THR 15 HG21 THR 15 -11.112 -22.103 2.074 127 HG22 THR 15 HG22 THR 15 -9.512 -21.997 1.336 128 HG23 THR 15 HG23 THR 15 -10.641 -23.250 0.818 129 H ASN 16 H ASN 16 -14.403 -19.776 0.265 130 HA ASN 16 HA ASN 16 -14.855 -18.904 -2.473 131 HB2 ASN 16 HB2 ASN 16 -16.114 -17.972 0.140 132 HB3 ASN 16 HB3 ASN 16 -16.603 -17.423 -1.461 133 HD21 ASN 16 HD21 ASN 16 -16.640 -20.100 0.781 134 HD22 ASN 16 HD22 ASN 16 -17.792 -21.053 -0.078 135 H GLU 17 H GLU 17 -12.530 -18.237 -2.605 136 HA GLU 17 HA GLU 17 -12.401 -15.324 -2.328 137 HB2 GLU 17 HB2 GLU 17 -11.179 -16.257 -0.324 138 HB3 GLU 17 HB3 GLU 17 -10.085 -17.095 -1.421 139 HG2 GLU 17 HG2 GLU 17 -9.507 -14.775 -2.377 140 HG3 GLU 17 HG3 GLU 17 -10.377 -14.104 -0.999 141 HA PRO 18 HA PRO 18 -10.680 -16.237 -6.579 142 HB2 PRO 18 HB2 PRO 18 -12.809 -14.183 -7.158 143 HB3 PRO 18 HB3 PRO 18 -12.323 -15.600 -8.102 144 HG2 PRO 18 HG2 PRO 18 -14.618 -15.634 -6.740 145 HG3 PRO 18 HG3 PRO 18 -13.583 -17.081 -6.781 146 HD2 PRO 18 HD2 PRO 18 -13.846 -15.009 -4.593 147 HD3 PRO 18 HD3 PRO 18 -13.821 -16.782 -4.459 148 H LEU 19 H LEU 19 -9.600 -14.444 -7.779 149 HA LEU 19 HA LEU 19 -8.388 -12.461 -6.133 150 HB2 LEU 19 HB2 LEU 19 -8.402 -12.938 -9.127 151 HB3 LEU 19 HB3 LEU 19 -7.624 -11.518 -8.455 152 HG LEU 19 HG LEU 19 -5.936 -13.168 -8.846 153 HD11 LEU 19 HD11 LEU 19 -5.665 -11.808 -6.844 154 HD12 LEU 19 HD12 LEU 19 -4.954 -13.400 -6.622 155 HD13 LEU 19 HD13 LEU 19 -6.507 -13.020 -5.873 156 HD21 LEU 19 HD21 LEU 19 -7.480 -15.100 -7.099 157 HD22 LEU 19 HD22 LEU 19 -5.897 -15.379 -7.843 158 HD23 LEU 19 HD23 LEU 19 -7.326 -15.193 -8.858 159 H ASP 20 H ASP 20 -11.183 -12.439 -8.222 160 HA ASP 20 HA ASP 20 -11.809 -9.727 -8.372 161 HB2 ASP 20 HB2 ASP 20 -13.066 -11.532 -9.530 162 HB3 ASP 20 HB3 ASP 20 -13.703 -12.091 -7.984 163 H LYS 21 H LYS 21 -12.515 -12.024 -5.715 164 HA LYS 21 HA LYS 21 -13.691 -10.070 -3.972 165 HB2 LYS 21 HB2 LYS 21 -12.724 -12.900 -3.457 166 HB3 LYS 21 HB3 LYS 21 -13.473 -11.893 -2.218 167 HG2 LYS 21 HG2 LYS 21 -15.497 -11.697 -3.716 168 HG3 LYS 21 HG3 LYS 21 -14.744 -12.880 -4.790 169 HD2 LYS 21 HD2 LYS 21 -16.337 -14.017 -3.351 170 HD3 LYS 21 HD3 LYS 21 -14.708 -14.515 -2.901 171 HE2 LYS 21 HE2 LYS 21 -16.053 -14.129 -0.892 172 HE3 LYS 21 HE3 LYS 21 -14.765 -12.928 -0.990 173 HZ1 LYS 21 HZ1 LYS 21 -17.599 -12.500 -1.767 174 HZ2 LYS 21 HZ2 LYS 21 -16.369 -11.344 -1.866 175 HZ3 LYS 21 HZ3 LYS 21 -16.857 -11.933 -0.359 176 H LYS 22 H LYS 22 -10.417 -11.604 -4.108 177 HA LYS 22 HA LYS 22 -9.568 -10.481 -1.619 178 HB2 LYS 22 HB2 LYS 22 -8.552 -12.558 -2.514 179 HB3 LYS 22 HB3 LYS 22 -7.809 -11.637 -3.822 180 HG2 LYS 22 HG2 LYS 22 -6.425 -10.391 -2.244 181 HG3 LYS 22 HG3 LYS 22 -7.273 -11.105 -0.875 182 HD2 LYS 22 HD2 LYS 22 -5.150 -12.199 -1.066 183 HD3 LYS 22 HD3 LYS 22 -6.389 -13.353 -1.567 184 HE2 LYS 22 HE2 LYS 22 -5.852 -12.736 -3.965 185 HE3 LYS 22 HE3 LYS 22 -4.500 -11.779 -3.350 186 HZ1 LYS 22 HZ1 LYS 22 -3.730 -13.933 -3.997 187 HZ2 LYS 22 HZ2 LYS 22 -4.898 -14.705 -3.052 188 HZ3 LYS 22 HZ3 LYS 22 -3.653 -13.835 -2.310 189 H ARG 23 H ARG 23 -8.728 -9.554 -5.028 190 HA ARG 23 HA ARG 23 -7.146 -7.307 -4.463 191 HB2 ARG 23 HB2 ARG 23 -8.967 -7.927 -6.796 192 HB3 ARG 23 HB3 ARG 23 -8.147 -6.372 -6.719 193 HG2 ARG 23 HG2 ARG 23 -5.990 -7.394 -6.781 194 HG3 ARG 23 HG3 ARG 23 -6.670 -9.011 -6.566 195 HD2 ARG 23 HD2 ARG 23 -7.775 -8.813 -8.785 196 HD3 ARG 23 HD3 ARG 23 -7.026 -7.230 -9.007 197 HE ARG 23 HE ARG 23 -4.830 -8.505 -8.767 198 HH11 ARG 23 HH11 ARG 23 -7.633 -9.945 -10.219 199 HH12 ARG 23 HH12 ARG 23 -6.692 -11.073 -11.127 200 HH21 ARG 23 HH21 ARG 23 -3.672 -9.973 -9.939 201 HH22 ARG 23 HH22 ARG 23 -4.487 -11.096 -10.966 202 H ALA 24 H ALA 24 -10.707 -7.368 -4.922 203 HA ALA 24 HA ALA 24 -11.238 -4.652 -4.426 204 HB1 ALA 24 HB1 ALA 24 -13.032 -7.035 -3.858 205 HB2 ALA 24 HB2 ALA 24 -12.891 -6.193 -5.401 206 HB3 ALA 24 HB3 ALA 24 -13.561 -5.351 -4.004 207 H ARG 25 H ARG 25 -10.973 -7.375 -2.168 208 HA ARG 25 HA ARG 25 -11.724 -6.069 0.219 209 HB2 ARG 25 HB2 ARG 25 -11.613 -8.536 -0.057 210 HB3 ARG 25 HB3 ARG 25 -9.857 -8.448 -0.155 211 HG2 ARG 25 HG2 ARG 25 -9.762 -7.615 2.173 212 HG3 ARG 25 HG3 ARG 25 -11.524 -7.675 2.271 213 HD2 ARG 25 HD2 ARG 25 -10.600 -9.628 3.364 214 HD3 ARG 25 HD3 ARG 25 -11.428 -10.139 1.889 215 HE ARG 25 HE ARG 25 -8.509 -9.733 1.853 216 HH11 ARG 25 HH11 ARG 25 -11.165 -11.958 1.560 217 HH12 ARG 25 HH12 ARG 25 -10.128 -13.265 1.111 218 HH21 ARG 25 HH21 ARG 25 -7.241 -11.429 1.311 219 HH22 ARG 25 HH22 ARG 25 -7.943 -12.971 0.976 220 H LEU 26 H LEU 26 -8.519 -6.436 -1.333 221 HA LEU 26 HA LEU 26 -7.010 -5.290 0.822 222 HB2 LEU 26 HB2 LEU 26 -6.261 -5.636 -2.102 223 HB3 LEU 26 HB3 LEU 26 -5.147 -5.171 -0.828 224 HG LEU 26 HG LEU 26 -6.594 -7.858 -0.954 225 HD11 LEU 26 HD11 LEU 26 -4.954 -7.644 -2.759 226 HD12 LEU 26 HD12 LEU 26 -4.421 -8.807 -1.549 227 HD13 LEU 26 HD13 LEU 26 -3.703 -7.194 -1.595 228 HD21 LEU 26 HD21 LEU 26 -6.113 -7.170 1.349 229 HD22 LEU 26 HD22 LEU 26 -4.429 -6.843 0.927 230 HD23 LEU 26 HD23 LEU 26 -5.054 -8.498 0.872 231 H ILE 27 H ILE 27 -8.254 -3.946 -2.260 232 HA ILE 27 HA ILE 27 -7.343 -1.292 -2.024 233 HB ILE 27 HB ILE 27 -9.958 -2.244 -3.296 234 HG12 ILE 27 HG12 ILE 27 -7.236 -1.862 -4.631 235 HG13 ILE 27 HG13 ILE 27 -7.883 -3.418 -4.149 236 HG21 ILE 27 HG21 ILE 27 -9.946 0.203 -3.008 237 HG22 ILE 27 HG22 ILE 27 -9.813 -0.211 -4.717 238 HG23 ILE 27 HG23 ILE 27 -8.383 0.310 -3.822 239 HD11 ILE 27 HD11 ILE 27 -8.935 -1.597 -6.309 240 HD12 ILE 27 HD12 ILE 27 -9.746 -3.072 -5.769 241 HD13 ILE 27 HD13 ILE 27 -8.140 -3.166 -6.497 242 H TYR 28 H TYR 28 -10.085 -2.902 -0.580 243 HA TYR 28 HA TYR 28 -11.292 -0.648 0.734 244 HB2 TYR 28 HB2 TYR 28 -12.801 -2.365 0.311 245 HB3 TYR 28 HB3 TYR 28 -11.640 -3.634 0.629 246 HD1 TYR 28 HD2 TYR 28 -14.043 -1.282 2.241 247 HD2 TYR 28 HD1 TYR 28 -11.492 -4.668 2.798 248 HE1 TYR 28 HE2 TYR 28 -15.143 -1.772 4.382 249 HE2 TYR 28 HE1 TYR 28 -12.596 -5.154 4.928 250 HH TYR 28 HH TYR 28 -13.880 -4.004 6.632 251 H GLN 29 H GLN 29 -8.962 -3.171 1.791 252 HA GLN 29 HA GLN 29 -8.933 -2.359 4.578 253 HB2 GLN 29 HB2 GLN 29 -7.135 -4.253 3.004 254 HB3 GLN 29 HB3 GLN 29 -6.978 -3.983 4.738 255 HG2 GLN 29 HG2 GLN 29 -9.209 -4.914 5.112 256 HG3 GLN 29 HG3 GLN 29 -9.450 -5.111 3.380 257 HE21 GLN 29 HE21 GLN 29 -6.703 -6.115 2.908 258 HE22 GLN 29 HE22 GLN 29 -6.670 -7.713 3.550 259 H SER 30 H SER 30 -7.229 -1.382 1.732 260 HA SER 30 HA SER 30 -5.025 -0.035 3.077 261 HB2 SER 30 HB2 SER 30 -4.479 0.819 0.847 262 HB3 SER 30 HB3 SER 30 -4.841 -0.900 0.736 263 HG SER 30 HG SER 30 -5.810 0.609 -0.859 264 H ARG 31 H ARG 31 -8.129 0.756 1.691 265 HA ARG 31 HA ARG 31 -8.026 3.601 2.082 266 HB2 ARG 31 HB2 ARG 31 -9.293 2.334 0.287 267 HB3 ARG 31 HB3 ARG 31 -10.414 1.789 1.531 268 HG2 ARG 31 HG2 ARG 31 -11.168 4.057 1.920 269 HG3 ARG 31 HG3 ARG 31 -9.923 4.703 0.842 270 HD2 ARG 31 HD2 ARG 31 -10.986 3.362 -1.029 271 HD3 ARG 31 HD3 ARG 31 -12.312 2.991 0.079 272 HE ARG 31 HE ARG 31 -12.198 5.701 0.141 273 HH11 ARG 31 HH11 ARG 31 -12.384 3.465 -2.500 274 HH12 ARG 31 HH12 ARG 31 -13.278 4.555 -3.492 275 HH21 ARG 31 HH21 ARG 31 -13.326 7.069 -1.153 276 HH22 ARG 31 HH22 ARG 31 -13.798 6.580 -2.739 277 H LYS 32 H LYS 32 -8.989 0.848 4.062 278 HA LYS 32 HA LYS 32 -9.953 2.554 6.220 279 HB2 LYS 32 HB2 LYS 32 -9.262 -0.397 6.040 280 HB3 LYS 32 HB3 LYS 32 -9.571 0.384 7.594 281 HG2 LYS 32 HG2 LYS 32 -11.804 1.144 6.648 282 HG3 LYS 32 HG3 LYS 32 -11.501 0.076 5.269 283 HD2 LYS 32 HD2 LYS 32 -11.537 -1.875 6.669 284 HD3 LYS 32 HD3 LYS 32 -11.453 -0.901 8.143 285 HE2 LYS 32 HE2 LYS 32 -13.807 -1.071 6.234 286 HE3 LYS 32 HE3 LYS 32 -13.713 -1.767 7.850 287 HZ1 LYS 32 HZ1 LYS 32 -14.958 0.257 7.899 288 HZ2 LYS 32 HZ2 LYS 32 -13.703 1.122 7.171 289 HZ3 LYS 32 HZ3 LYS 32 -13.506 0.499 8.725 290 H ARG 33 H ARG 33 -8.575 3.792 7.371 291 HA ARG 33 HA ARG 33 -5.757 3.099 7.771 292 HB2 ARG 33 HB2 ARG 33 -6.226 4.162 5.378 293 HB3 ARG 33 HB3 ARG 33 -6.373 5.666 6.264 294 HG2 ARG 33 HG2 ARG 33 -4.165 5.643 5.454 295 HG3 ARG 33 HG3 ARG 33 -4.005 5.204 7.156 296 HD2 ARG 33 HD2 ARG 33 -4.118 3.144 4.919 297 HD3 ARG 33 HD3 ARG 33 -2.609 3.851 5.488 298 HE ARG 33 HE ARG 33 -3.272 2.906 7.742 299 HH11 ARG 33 HH11 ARG 33 -4.350 1.340 4.837 300 HH12 ARG 33 HH12 ARG 33 -4.338 -0.223 5.565 301 HH21 ARG 33 HH21 ARG 33 -3.248 0.905 8.620 302 HH22 ARG 33 HH22 ARG 33 -3.711 -0.461 7.675 303 H GLY 34 H GLY 34 -4.616 4.914 9.035 304 HA2 GLY 34 HA2 GLY 34 -6.281 6.107 11.071 305 HA3 GLY 34 HA3 GLY 34 -4.553 6.332 10.859 306 H ILE 35 H ILE 35 -3.790 7.954 9.361 307 HA ILE 35 HA ILE 35 -5.436 10.327 9.268 308 HB ILE 35 HB ILE 35 -3.493 11.455 8.239 309 HG12 ILE 35 HG12 ILE 35 -2.120 8.718 8.290 310 HG13 ILE 35 HG13 ILE 35 -2.694 9.523 6.836 311 HG21 ILE 35 HG21 ILE 35 -1.941 11.228 10.135 312 HG22 ILE 35 HG22 ILE 35 -2.733 9.732 10.626 313 HG23 ILE 35 HG23 ILE 35 -3.618 11.260 10.685 314 HD11 ILE 35 HD11 ILE 35 -1.077 11.315 7.196 315 HD12 ILE 35 HD12 ILE 35 -0.311 9.733 7.073 316 HD13 ILE 35 HD13 ILE 35 -0.501 10.495 8.651 317 H LEU 36 H LEU 36 -5.873 11.597 7.399 318 HA LEU 36 HA LEU 36 -7.010 10.121 5.222 319 HB2 LEU 36 HB2 LEU 36 -6.857 13.096 5.793 320 HB3 LEU 36 HB3 LEU 36 -7.639 12.448 4.365 321 HG LEU 36 HG LEU 36 -9.360 12.948 5.947 322 HD11 LEU 36 HD11 LEU 36 -10.453 10.787 6.286 323 HD12 LEU 36 HD12 LEU 36 -8.935 9.951 5.946 324 HD13 LEU 36 HD13 LEU 36 -9.722 10.906 4.687 325 HD21 LEU 36 HD21 LEU 36 -7.897 11.291 8.027 326 HD22 LEU 36 HD22 LEU 36 -9.481 12.050 8.227 327 HD23 LEU 36 HD23 LEU 36 -8.049 13.050 8.005 328 H GLU 37 H GLU 37 -4.006 11.844 5.654 329 HA GLU 37 HA GLU 37 -3.273 12.244 2.959 330 HB2 GLU 37 HB2 GLU 37 -1.725 12.026 5.547 331 HB3 GLU 37 HB3 GLU 37 -0.834 12.033 4.031 332 HG2 GLU 37 HG2 GLU 37 -2.803 14.208 4.821 333 HG3 GLU 37 HG3 GLU 37 -1.073 14.276 5.167 334 H THR 38 H THR 38 -2.434 9.503 5.105 335 HA THR 38 HA THR 38 -1.339 7.902 2.980 336 HB THR 38 HB THR 38 -2.219 6.871 5.705 337 HG1 THR 38 HG1 THR 38 0.381 7.374 5.632 338 HG21 THR 38 HG21 THR 38 -1.575 5.126 4.039 339 HG22 THR 38 HG22 THR 38 -0.415 5.220 5.366 340 HG23 THR 38 HG23 THR 38 -0.026 5.940 3.803 341 H ASP 39 H ASP 39 -4.536 8.241 4.426 342 HA ASP 39 HA ASP 39 -5.890 5.956 3.566 343 HB2 ASP 39 HB2 ASP 39 -6.793 7.786 5.049 344 HB3 ASP 39 HB3 ASP 39 -6.992 8.804 3.635 345 H LEU 40 H LEU 40 -5.808 9.106 1.846 346 HA LEU 40 HA LEU 40 -6.924 8.202 -0.606 347 HB2 LEU 40 HB2 LEU 40 -5.167 10.630 -0.077 348 HB3 LEU 40 HB3 LEU 40 -6.158 10.387 -1.510 349 HG LEU 40 HG LEU 40 -7.213 10.766 1.330 350 HD11 LEU 40 HD11 LEU 40 -6.261 12.833 0.427 351 HD12 LEU 40 HD12 LEU 40 -8.013 12.950 0.557 352 HD13 LEU 40 HD13 LEU 40 -7.264 12.690 -1.022 353 HD21 LEU 40 HD21 LEU 40 -9.452 10.895 0.304 354 HD22 LEU 40 HD22 LEU 40 -8.710 9.321 0.032 355 HD23 LEU 40 HD23 LEU 40 -8.762 10.508 -1.276 356 H LEU 41 H LEU 41 -3.594 8.448 0.549 357 HA LEU 41 HA LEU 41 -2.138 8.083 -1.832 358 HB2 LEU 41 HB2 LEU 41 -1.171 8.756 0.376 359 HB3 LEU 41 HB3 LEU 41 -1.423 7.121 0.967 360 HG LEU 41 HG LEU 41 0.232 6.274 -0.711 361 HD11 LEU 41 HD11 LEU 41 -0.004 7.970 -2.452 362 HD12 LEU 41 HD12 LEU 41 1.676 7.839 -1.941 363 HD13 LEU 41 HD13 LEU 41 0.691 9.197 -1.389 364 HD21 LEU 41 HD21 LEU 41 1.329 8.475 1.077 365 HD22 LEU 41 HD22 LEU 41 2.246 7.124 0.403 366 HD23 LEU 41 HD23 LEU 41 0.969 6.818 1.578 367 H LEU 42 H LEU 42 -3.037 5.570 0.579 368 HA LEU 42 HA LEU 42 -2.206 3.384 -1.091 369 HB2 LEU 42 HB2 LEU 42 -3.718 3.456 1.538 370 HB3 LEU 42 HB3 LEU 42 -3.285 1.961 0.720 371 HG LEU 42 HG LEU 42 -1.347 4.016 1.860 372 HD11 LEU 42 HD11 LEU 42 -1.920 1.155 2.701 373 HD12 LEU 42 HD12 LEU 42 -2.413 2.618 3.559 374 HD13 LEU 42 HD13 LEU 42 -0.704 2.229 3.403 375 HD21 LEU 42 HD21 LEU 42 0.459 2.467 1.189 376 HD22 LEU 42 HD22 LEU 42 -0.410 3.097 -0.207 377 HD23 LEU 42 HD23 LEU 42 -0.717 1.450 0.350 378 H SER 43 H SER 43 -5.320 4.967 -0.517 379 HA SER 43 HA SER 43 -7.032 2.996 -1.648 380 HB2 SER 43 HB2 SER 43 -7.942 4.866 -0.345 381 HB3 SER 43 HB3 SER 43 -7.371 6.027 -1.540 382 HG SER 43 HG SER 43 -9.637 5.445 -1.685 383 H GLY 44 H GLY 44 -5.614 5.936 -3.141 384 HA2 GLY 44 HA2 GLY 44 -6.429 5.434 -5.815 385 HA3 GLY 44 HA3 GLY 44 -5.129 6.505 -5.314 386 H PHE 45 H PHE 45 -3.433 4.654 -4.065 387 HA PHE 45 HA PHE 45 -1.904 3.493 -6.118 388 HB2 PHE 45 HB2 PHE 45 -0.972 4.052 -3.901 389 HB3 PHE 45 HB3 PHE 45 -1.973 2.824 -3.139 390 HD1 PHE 45 HD1 PHE 45 0.888 3.334 -5.462 391 HD2 PHE 45 HD2 PHE 45 -1.231 0.532 -3.041 392 HE1 PHE 45 HE1 PHE 45 2.678 1.695 -5.775 393 HE2 PHE 45 HE2 PHE 45 0.580 -1.103 -3.361 394 HZ PHE 45 HZ PHE 45 2.535 -0.520 -4.728 395 H ALA 46 H ALA 46 -4.342 2.116 -3.989 396 HA ALA 46 HA ALA 46 -3.997 -0.603 -4.730 397 HB1 ALA 46 HB1 ALA 46 -4.991 0.130 -2.603 398 HB2 ALA 46 HB2 ALA 46 -6.035 -0.994 -3.472 399 HB3 ALA 46 HB3 ALA 46 -6.402 0.735 -3.472 400 H ALA 47 H ALA 47 -6.373 1.858 -5.725 401 HA ALA 47 HA ALA 47 -7.960 0.213 -7.411 402 HB1 ALA 47 HB1 ALA 47 -8.901 2.336 -8.238 403 HB2 ALA 47 HB2 ALA 47 -7.580 3.227 -7.471 404 HB3 ALA 47 HB3 ALA 47 -8.747 2.347 -6.481 405 H LYS 48 H LYS 48 -4.950 1.882 -7.957 406 HA LYS 48 HA LYS 48 -5.048 1.714 -10.874 407 HB2 LYS 48 HB2 LYS 48 -4.134 3.719 -9.713 408 HB3 LYS 48 HB3 LYS 48 -2.861 2.724 -9.014 409 HG2 LYS 48 HG2 LYS 48 -2.044 2.234 -11.332 410 HG3 LYS 48 HG3 LYS 48 -3.268 3.340 -11.961 411 HD2 LYS 48 HD2 LYS 48 -0.979 4.073 -10.085 412 HD3 LYS 48 HD3 LYS 48 -1.053 4.426 -11.812 413 HE2 LYS 48 HE2 LYS 48 -2.900 5.537 -9.670 414 HE3 LYS 48 HE3 LYS 48 -1.618 6.418 -10.501 415 HZ1 LYS 48 HZ1 LYS 48 -4.090 5.324 -11.732 416 HZ2 LYS 48 HZ2 LYS 48 -2.838 6.067 -12.586 417 HZ3 LYS 48 HZ3 LYS 48 -3.727 6.955 -11.462 418 H TYR 49 H TYR 49 -2.892 0.467 -8.277 419 HA TYR 49 HA TYR 49 -1.268 -1.031 -10.130 420 HB2 TYR 49 HB2 TYR 49 -1.155 -0.624 -7.125 421 HB3 TYR 49 HB3 TYR 49 -0.112 -1.801 -7.921 422 HD1 TYR 49 HD1 TYR 49 -1.100 1.832 -8.258 423 HD2 TYR 49 HD2 TYR 49 2.021 -1.071 -8.616 424 HE1 TYR 49 HE1 TYR 49 0.506 3.617 -8.787 425 HE2 TYR 49 HE2 TYR 49 3.618 0.716 -9.149 426 HH TYR 49 HH TYR 49 3.671 2.967 -9.977 427 H LEU 50 H LEU 50 -3.582 -1.998 -7.510 428 HA LEU 50 HA LEU 50 -3.179 -4.795 -7.725 429 HB2 LEU 50 HB2 LEU 50 -5.474 -3.178 -6.659 430 HB3 LEU 50 HB3 LEU 50 -5.671 -4.912 -6.847 431 HG LEU 50 HG LEU 50 -3.585 -5.188 -5.405 432 HD11 LEU 50 HD11 LEU 50 -2.943 -3.417 -3.919 433 HD12 LEU 50 HD12 LEU 50 -4.099 -2.320 -4.668 434 HD13 LEU 50 HD13 LEU 50 -2.711 -2.904 -5.592 435 HD21 LEU 50 HD21 LEU 50 -5.845 -5.645 -4.600 436 HD22 LEU 50 HD22 LEU 50 -6.023 -3.954 -4.119 437 HD23 LEU 50 HD23 LEU 50 -4.822 -4.977 -3.330 438 H LYS 51 H LYS 51 -5.003 -2.680 -9.711 439 HA LYS 51 HA LYS 51 -6.749 -4.358 -11.094 440 HB2 LYS 51 HB2 LYS 51 -6.711 -1.907 -11.244 441 HB3 LYS 51 HB3 LYS 51 -5.146 -1.952 -12.046 442 HG2 LYS 51 HG2 LYS 51 -6.157 -3.014 -14.014 443 HG3 LYS 51 HG3 LYS 51 -7.727 -3.061 -13.201 444 HD2 LYS 51 HD2 LYS 51 -6.182 -0.522 -13.882 445 HD3 LYS 51 HD3 LYS 51 -7.522 -1.171 -14.830 446 HE2 LYS 51 HE2 LYS 51 -7.738 -0.294 -11.917 447 HE3 LYS 51 HE3 LYS 51 -8.202 0.699 -13.303 448 HZ1 LYS 51 HZ1 LYS 51 -10.113 -0.387 -12.360 449 HZ2 LYS 51 HZ2 LYS 51 -9.399 -1.907 -12.538 450 HZ3 LYS 51 HZ3 LYS 51 -9.823 -1.011 -13.909 451 H LYS 52 H LYS 52 -3.260 -3.979 -11.441 452 HA LYS 52 HA LYS 52 -3.153 -6.028 -13.602 453 HB2 LYS 52 HB2 LYS 52 -1.140 -3.794 -13.061 454 HB3 LYS 52 HB3 LYS 52 -1.131 -4.917 -14.424 455 HG2 LYS 52 HG2 LYS 52 -3.177 -3.915 -15.319 456 HG3 LYS 52 HG3 LYS 52 -3.322 -2.873 -13.900 457 HD2 LYS 52 HD2 LYS 52 -1.116 -2.765 -15.996 458 HD3 LYS 52 HD3 LYS 52 -2.446 -1.617 -15.817 459 HE2 LYS 52 HE2 LYS 52 -0.184 -2.090 -13.842 460 HE3 LYS 52 HE3 LYS 52 -0.398 -0.677 -14.874 461 HZ1 LYS 52 HZ1 LYS 52 -1.108 -0.214 -12.635 462 HZ2 LYS 52 HZ2 LYS 52 -2.194 -1.510 -12.657 463 HZ3 LYS 52 HZ3 LYS 52 -2.443 -0.180 -13.664 464 H MET 53 H MET 53 -2.401 -5.500 -10.328 465 HA MET 53 HA MET 53 0.191 -6.629 -10.092 466 HB2 MET 53 HB2 MET 53 -0.829 -5.011 -8.488 467 HB3 MET 53 HB3 MET 53 -1.990 -6.238 -7.996 468 HG2 MET 53 HG2 MET 53 -0.096 -7.640 -7.240 469 HG3 MET 53 HG3 MET 53 0.994 -6.315 -7.623 470 HE1 MET 53 HE1 MET 53 1.043 -3.994 -6.271 471 HE2 MET 53 HE2 MET 53 -0.071 -3.615 -4.959 472 HE3 MET 53 HE3 MET 53 -0.670 -3.716 -6.619 473 H ASN 54 H ASN 54 0.838 -8.702 -9.656 474 HA ASN 54 HA ASN 54 -0.915 -10.922 -10.165 475 HB2 ASN 54 HB2 ASN 54 2.024 -10.622 -9.525 476 HB3 ASN 54 HB3 ASN 54 1.301 -12.215 -9.427 477 HD21 ASN 54 HD21 ASN 54 0.701 -13.271 -11.279 478 HD22 ASN 54 HD22 ASN 54 1.162 -12.731 -12.845 479 H GLU 55 H GLU 55 -1.125 -12.787 -8.834 480 HA GLU 55 HA GLU 55 -2.403 -12.503 -6.414 481 HB2 GLU 55 HB2 GLU 55 -0.930 -14.920 -7.544 482 HB3 GLU 55 HB3 GLU 55 -1.989 -15.013 -6.149 483 HG2 GLU 55 HG2 GLU 55 -3.130 -15.838 -8.104 484 HG3 GLU 55 HG3 GLU 55 -3.905 -14.365 -7.554 485 H GLU 56 H GLU 56 0.987 -13.260 -6.990 486 HA GLU 56 HA GLU 56 1.796 -13.902 -4.350 487 HB2 GLU 56 HB2 GLU 56 3.646 -12.737 -6.465 488 HB3 GLU 56 HB3 GLU 56 4.022 -13.922 -5.216 489 HG2 GLU 56 HG2 GLU 56 2.454 -14.345 -7.790 490 HG3 GLU 56 HG3 GLU 56 4.021 -15.031 -7.354 491 H GLU 57 H GLU 57 2.070 -10.934 -6.257 492 HA GLU 57 HA GLU 57 3.414 -9.314 -4.346 493 HB2 GLU 57 HB2 GLU 57 1.727 -8.433 -6.716 494 HB3 GLU 57 HB3 GLU 57 2.958 -7.471 -5.901 495 HG2 GLU 57 HG2 GLU 57 4.696 -9.018 -6.708 496 HG3 GLU 57 HG3 GLU 57 3.461 -10.012 -7.487 497 H LEU 58 H LEU 58 -0.003 -9.870 -5.054 498 HA LEU 58 HA LEU 58 -1.246 -7.811 -3.588 499 HB2 LEU 58 HB2 LEU 58 -2.154 -10.671 -4.102 500 HB3 LEU 58 HB3 LEU 58 -3.196 -9.429 -3.426 501 HG LEU 58 HG LEU 58 -1.933 -9.284 -6.191 502 HD11 LEU 58 HD11 LEU 58 -4.161 -9.764 -7.074 503 HD12 LEU 58 HD12 LEU 58 -4.775 -9.996 -5.430 504 HD13 LEU 58 HD13 LEU 58 -3.559 -11.097 -6.087 505 HD21 LEU 58 HD21 LEU 58 -4.051 -7.535 -4.914 506 HD22 LEU 58 HD22 LEU 58 -3.475 -7.423 -6.581 507 HD23 LEU 58 HD23 LEU 58 -2.380 -7.074 -5.249 508 H GLU 59 H GLU 59 0.058 -10.917 -2.531 509 HA GLU 59 HA GLU 59 -0.942 -10.839 0.168 510 HB2 GLU 59 HB2 GLU 59 1.329 -12.480 -1.041 511 HB3 GLU 59 HB3 GLU 59 0.525 -12.802 0.497 512 HG2 GLU 59 HG2 GLU 59 -1.590 -13.227 -0.689 513 HG3 GLU 59 HG3 GLU 59 -0.808 -12.871 -2.229 514 H GLU 60 H GLU 60 2.019 -9.751 -1.426 515 HA GLU 60 HA GLU 60 3.450 -8.892 0.908 516 HB2 GLU 60 HB2 GLU 60 4.578 -9.208 -1.274 517 HB3 GLU 60 HB3 GLU 60 3.600 -7.932 -1.985 518 HG2 GLU 60 HG2 GLU 60 4.687 -6.297 -0.424 519 HG3 GLU 60 HG3 GLU 60 5.723 -7.599 0.162 520 H TYR 61 H TYR 61 1.156 -7.306 -1.312 521 HA TYR 61 HA TYR 61 1.132 -4.728 -0.213 522 HB2 TYR 61 HB2 TYR 61 0.120 -5.339 -2.407 523 HB3 TYR 61 HB3 TYR 61 -1.181 -6.179 -1.566 524 HD1 TYR 61 HD2 TYR 61 0.492 -2.817 -1.466 525 HD2 TYR 61 HD1 TYR 61 -3.214 -4.942 -1.372 526 HE1 TYR 61 HE2 TYR 61 -0.716 -0.699 -1.374 527 HE2 TYR 61 HE1 TYR 61 -4.432 -2.802 -1.265 528 HH TYR 61 HH TYR 61 -2.938 0.172 -1.960 529 H ASP 62 H ASP 62 -0.775 -7.593 0.639 530 HA ASP 62 HA ASP 62 -2.566 -6.529 2.497 531 HB2 ASP 62 HB2 ASP 62 -2.670 -8.837 1.586 532 HB3 ASP 62 HB3 ASP 62 -1.236 -9.278 2.518 533 H SER 63 H SER 63 0.767 -7.651 2.985 534 HA SER 63 HA SER 63 1.069 -7.375 5.758 535 HB2 SER 63 HB2 SER 63 3.178 -6.933 3.597 536 HB3 SER 63 HB3 SER 63 3.507 -7.257 5.305 537 HG SER 63 HG SER 63 2.516 -9.286 5.041 538 H LEU 64 H LEU 64 1.391 -4.915 3.200 539 HA LEU 64 HA LEU 64 2.420 -2.794 4.805 540 HB2 LEU 64 HB2 LEU 64 2.606 -2.903 2.320 541 HB3 LEU 64 HB3 LEU 64 0.875 -2.653 2.190 542 HG LEU 64 HG LEU 64 1.175 -0.382 3.247 543 HD11 LEU 64 HD11 LEU 64 4.143 -0.949 2.953 544 HD12 LEU 64 HD12 LEU 64 3.256 -0.759 4.470 545 HD13 LEU 64 HD13 LEU 64 3.426 0.611 3.376 546 HD21 LEU 64 HD21 LEU 64 1.000 -0.592 0.806 547 HD22 LEU 64 HD22 LEU 64 2.745 -0.830 0.683 548 HD23 LEU 64 HD23 LEU 64 2.102 0.718 1.240 549 H LEU 65 H LEU 65 -0.820 -3.933 4.149 550 HA LEU 65 HA LEU 65 -2.241 -1.568 4.994 551 HB2 LEU 65 HB2 LEU 65 -3.423 -4.354 4.819 552 HB3 LEU 65 HB3 LEU 65 -4.251 -2.813 4.630 553 HG LEU 65 HG LEU 65 -2.345 -4.149 2.681 554 HD11 LEU 65 HD11 LEU 65 -4.221 -4.127 1.136 555 HD12 LEU 65 HD12 LEU 65 -5.244 -3.360 2.354 556 HD13 LEU 65 HD13 LEU 65 -4.627 -4.995 2.618 557 HD21 LEU 65 HD21 LEU 65 -3.460 -1.336 2.493 558 HD22 LEU 65 HD22 LEU 65 -2.638 -2.198 1.192 559 HD23 LEU 65 HD23 LEU 65 -1.766 -1.800 2.665 560 H ASN 66 H ASN 66 -0.800 -4.164 6.698 561 HA ASN 66 HA ASN 66 -2.287 -3.662 9.191 562 HB2 ASN 66 HB2 ASN 66 -0.137 -5.704 8.482 563 HB3 ASN 66 HB3 ASN 66 -0.864 -5.556 10.078 564 HD21 ASN 66 HD21 ASN 66 -1.399 -6.559 6.786 565 HD22 ASN 66 HD22 ASN 66 -2.862 -7.419 7.080 566 H GLU 67 H GLU 67 0.146 -2.095 7.657 567 HA GLU 67 HA GLU 67 1.880 -1.529 9.961 568 HB2 GLU 67 HB2 GLU 67 1.873 -0.406 7.118 569 HB3 GLU 67 HB3 GLU 67 3.080 -0.024 8.343 570 HG2 GLU 67 HG2 GLU 67 2.575 -2.803 7.222 571 HG3 GLU 67 HG3 GLU 67 3.823 -1.697 6.646 572 H LEU 68 H LEU 68 2.344 0.839 10.472 573 HA LEU 68 HA LEU 68 -0.131 2.228 11.051 574 HB2 LEU 68 HB2 LEU 68 2.745 3.007 11.657 575 HB3 LEU 68 HB3 LEU 68 1.346 3.968 12.113 576 HG LEU 68 HG LEU 68 0.570 1.788 13.374 577 HD11 LEU 68 HD11 LEU 68 3.547 1.233 13.215 578 HD12 LEU 68 HD12 LEU 68 2.259 0.250 12.510 579 HD13 LEU 68 HD13 LEU 68 2.391 0.406 14.262 580 HD21 LEU 68 HD21 LEU 68 2.828 3.510 14.436 581 HD22 LEU 68 HD22 LEU 68 1.713 2.543 15.408 582 HD23 LEU 68 HD23 LEU 68 1.105 3.904 14.463 583 H ASP 69 H ASP 69 -0.917 3.960 10.125 584 HA ASP 69 HA ASP 69 -0.520 4.616 7.489 585 HB2 ASP 69 HB2 ASP 69 -1.869 6.727 8.040 586 HB3 ASP 69 HB3 ASP 69 -2.591 5.183 8.472 587 H TRP 70 H TRP 70 0.638 6.689 10.221 588 HA TRP 70 HA TRP 70 1.960 8.638 8.719 589 HB2 TRP 70 HB2 TRP 70 2.325 7.673 11.559 590 HB3 TRP 70 HB3 TRP 70 3.472 8.829 10.900 591 HD1 TRP 70 HD1 TRP 70 0.424 8.846 12.864 592 HE1 TRP 70 HE1 TRP 70 -0.726 11.141 12.773 593 HE3 TRP 70 HE3 TRP 70 2.871 10.843 8.832 594 HZ2 TRP 70 HZ2 TRP 70 -0.633 13.484 11.210 595 HZ3 TRP 70 HZ3 TRP 70 2.272 13.112 8.090 596 HH2 TRP 70 HH2 TRP 70 0.548 14.402 9.252 597 H ASP 71 H ASP 71 3.185 5.485 9.805 598 HA ASP 71 HA ASP 71 5.919 5.897 9.124 599 HB2 ASP 71 HB2 ASP 71 4.356 3.294 9.397 600 HB3 ASP 71 HB3 ASP 71 6.111 3.426 9.345 601 H ILE 72 H ILE 72 3.308 4.110 7.460 602 HA ILE 72 HA ILE 72 4.494 3.406 5.047 603 HB ILE 72 HB ILE 72 1.617 4.377 5.436 604 HG12 ILE 72 HG12 ILE 72 2.610 1.493 5.563 605 HG13 ILE 72 HG13 ILE 72 2.320 2.485 6.986 606 HG21 ILE 72 HG21 ILE 72 2.740 2.577 3.251 607 HG22 ILE 72 HG22 ILE 72 2.195 4.243 3.045 608 HG23 ILE 72 HG23 ILE 72 1.035 2.986 3.470 609 HD11 ILE 72 HD11 ILE 72 0.462 0.989 6.576 610 HD12 ILE 72 HD12 ILE 72 0.247 1.648 4.955 611 HD13 ILE 72 HD13 ILE 72 -0.056 2.663 6.369 612 H TYR 73 H TYR 73 2.979 6.468 5.971 613 HA TYR 73 HA TYR 73 3.074 7.819 3.501 614 HB2 TYR 73 HB2 TYR 73 1.658 8.518 5.420 615 HB3 TYR 73 HB3 TYR 73 3.098 8.986 6.319 616 HD1 TYR 73 HD2 TYR 73 1.261 9.706 3.128 617 HD2 TYR 73 HD1 TYR 73 3.897 11.237 6.127 618 HE1 TYR 73 HE2 TYR 73 1.160 11.926 2.088 619 HE2 TYR 73 HE1 TYR 73 3.803 13.458 5.079 620 HH TYR 73 HH TYR 73 1.532 14.245 2.631 621 H TYR 74 H TYR 74 5.383 7.815 6.250 622 HA TYR 74 HA TYR 74 7.162 9.750 5.026 623 HB2 TYR 74 HB2 TYR 74 7.481 8.007 7.493 624 HB3 TYR 74 HB3 TYR 74 8.661 9.212 6.991 625 HD1 TYR 74 HD1 TYR 74 6.827 11.461 6.170 626 HD2 TYR 74 HD2 TYR 74 6.723 8.879 9.567 627 HE1 TYR 74 HE1 TYR 74 5.716 13.217 7.463 628 HE2 TYR 74 HE2 TYR 74 5.605 10.626 10.861 629 HH TYR 74 HH TYR 74 5.400 13.119 10.835 630 H TRP 75 H TRP 75 6.853 6.328 4.731 631 HA TRP 75 HA TRP 75 9.570 5.942 3.725 632 HB2 TRP 75 HB2 TRP 75 7.183 4.057 3.714 633 HB3 TRP 75 HB3 TRP 75 8.819 3.623 3.235 634 HD1 TRP 75 HD1 TRP 75 10.243 5.127 5.821 635 HE1 TRP 75 HE1 TRP 75 10.112 3.935 8.093 636 HE3 TRP 75 HE3 TRP 75 6.293 2.007 4.882 637 HZ2 TRP 75 HZ2 TRP 75 8.556 1.934 9.330 638 HZ3 TRP 75 HZ3 TRP 75 5.553 0.474 6.662 639 HH2 TRP 75 HH2 TRP 75 6.661 0.440 8.842 640 H ALA 76 H ALA 76 6.280 6.330 2.431 641 HA ALA 76 HA ALA 76 6.911 6.039 -0.342 642 HB1 ALA 76 HB1 ALA 76 4.607 5.875 0.521 643 HB2 ALA 76 HB2 ALA 76 4.726 7.102 -0.743 644 HB3 ALA 76 HB3 ALA 76 4.638 7.585 0.955 645 H THR 77 H THR 77 6.301 8.969 1.604 646 HA THR 77 HA THR 77 7.658 10.775 -0.205 647 HB THR 77 HB THR 77 7.212 12.524 1.442 648 HG1 THR 77 HG1 THR 77 6.003 10.777 3.277 649 HG21 THR 77 HG21 THR 77 4.815 10.651 1.296 650 HG22 THR 77 HG22 THR 77 5.262 11.851 0.080 651 HG23 THR 77 HG23 THR 77 4.759 12.372 1.688 652 H LYS 78 H LYS 78 9.445 12.277 0.974 653 HA LYS 78 HA LYS 78 11.570 10.319 1.595 654 HB2 LYS 78 HB2 LYS 78 11.534 12.109 -0.379 655 HB3 LYS 78 HB3 LYS 78 12.142 13.197 0.862 656 HG2 LYS 78 HG2 LYS 78 14.061 11.687 1.253 657 HG3 LYS 78 HG3 LYS 78 13.440 10.575 0.031 658 HD2 LYS 78 HD2 LYS 78 14.502 13.396 -0.410 659 HD3 LYS 78 HD3 LYS 78 15.221 11.880 -0.957 660 HE2 LYS 78 HE2 LYS 78 12.635 13.130 -1.955 661 HE3 LYS 78 HE3 LYS 78 14.154 12.996 -2.837 662 HZ1 LYS 78 HZ1 LYS 78 12.519 11.337 -3.515 663 HZ2 LYS 78 HZ2 LYS 78 12.488 10.698 -1.952 664 HZ3 LYS 78 HZ3 LYS 78 13.902 10.610 -2.875 665 H ASN 79 H ASN 79 9.938 10.928 3.806 666 HA ASN 79 HA ASN 79 11.591 12.733 5.513 667 HB2 ASN 79 HB2 ASN 79 8.664 11.943 5.877 668 HB3 ASN 79 HB3 ASN 79 9.574 13.024 6.926 669 HD21 ASN 79 HD21 ASN 79 7.852 12.729 3.969 670 HD22 ASN 79 HD22 ASN 79 7.950 14.377 3.493 671 H PHE 80 H PHE 80 12.678 10.333 5.202 672 HA PHE 80 HA PHE 80 11.908 8.260 7.001 673 HB2 PHE 80 HB2 PHE 80 14.616 8.842 5.733 674 HB3 PHE 80 HB3 PHE 80 14.193 7.342 6.550 675 HD1 PHE 80 HD2 PHE 80 13.715 9.350 3.486 676 HD2 PHE 80 HD1 PHE 80 12.687 5.703 5.484 677 HE1 PHE 80 HE2 PHE 80 12.869 8.426 1.367 678 HE2 PHE 80 HE1 PHE 80 11.844 4.787 3.363 679 HZ PHE 80 HZ PHE 80 11.931 6.144 1.303 680 H LYS 81 H LYS 81 13.462 11.259 7.560 681 HA LYS 81 HA LYS 81 15.003 10.886 9.848 682 HB2 LYS 81 HB2 LYS 81 14.417 13.281 10.391 683 HB3 LYS 81 HB3 LYS 81 14.970 13.037 8.740 684 HG2 LYS 81 HG2 LYS 81 12.705 13.191 7.884 685 HG3 LYS 81 HG3 LYS 81 12.038 13.233 9.514 686 HD2 LYS 81 HD2 LYS 81 13.886 15.396 8.412 687 HD3 LYS 81 HD3 LYS 81 12.130 15.467 8.292 688 HE2 LYS 81 HE2 LYS 81 12.669 16.793 10.182 689 HE3 LYS 81 HE3 LYS 81 12.097 15.275 10.861 690 HZ1 LYS 81 HZ1 LYS 81 14.399 14.621 11.209 691 HZ2 LYS 81 HZ2 LYS 81 14.051 16.071 11.996 692 HZ3 LYS 81 HZ3 LYS 81 14.935 16.085 10.555 693 H THR 82 H THR 82 11.468 10.977 9.583 694 HA THR 82 HA THR 82 11.112 10.917 12.505 695 HB THR 82 HB THR 82 8.964 10.831 10.340 696 HG1 THR 82 HG1 THR 82 9.296 12.896 10.172 697 HG21 THR 82 HG21 THR 82 8.180 9.988 12.542 698 HG22 THR 82 HG22 THR 82 7.435 11.538 12.149 699 HG23 THR 82 HG23 THR 82 8.757 11.470 13.314 700 H SER 83 H SER 83 10.043 8.962 9.680 701 HA SER 83 HA SER 83 9.910 6.543 11.386 702 HB2 SER 83 HB2 SER 83 8.548 7.206 8.750 703 HB3 SER 83 HB3 SER 83 8.545 5.582 9.454 704 HG SER 83 HG SER 83 6.968 6.243 10.632 705 HA PRO 84 HA PRO 84 13.764 5.551 9.051 706 HB2 PRO 84 HB2 PRO 84 14.607 3.569 10.773 707 HB3 PRO 84 HB3 PRO 84 14.904 5.290 11.062 708 HG2 PRO 84 HG2 PRO 84 12.723 3.527 12.183 709 HG3 PRO 84 HG3 PRO 84 13.752 4.700 13.034 710 HD2 PRO 84 HD2 PRO 84 11.222 5.319 12.296 711 HD3 PRO 84 HD3 PRO 84 12.516 6.539 12.261 712 H LEU 85 H LEU 85 14.149 3.885 7.583 713 HA LEU 85 HA LEU 85 11.880 2.239 6.917 714 HB2 LEU 85 HB2 LEU 85 13.277 3.459 5.218 715 HB3 LEU 85 HB3 LEU 85 14.610 2.370 5.583 716 HG LEU 85 HG LEU 85 13.177 0.439 4.839 717 HD11 LEU 85 HD11 LEU 85 10.964 1.428 5.229 718 HD12 LEU 85 HD12 LEU 85 11.121 0.873 3.566 719 HD13 LEU 85 HD13 LEU 85 11.239 2.596 3.930 720 HD21 LEU 85 HD21 LEU 85 13.609 2.581 2.727 721 HD22 LEU 85 HD22 LEU 85 13.402 0.851 2.433 722 HD23 LEU 85 HD23 LEU 85 14.823 1.429 3.299 723 HA PRO 86 HA PRO 86 13.621 -1.305 9.238 724 HB2 PRO 86 HB2 PRO 86 11.166 -2.779 8.508 725 HB3 PRO 86 HB3 PRO 86 11.684 -2.210 10.096 726 HG2 PRO 86 HG2 PRO 86 9.563 -1.126 8.786 727 HG3 PRO 86 HG3 PRO 86 10.596 -0.173 9.876 728 HD2 PRO 86 HD2 PRO 86 10.690 -0.356 6.853 729 HD3 PRO 86 HD3 PRO 86 10.732 1.092 7.893 730 H ASP 87 H ASP 87 14.123 -3.579 8.809 731 HA ASP 87 HA ASP 87 15.311 -4.163 6.352 732 HB2 ASP 87 HB2 ASP 87 14.404 -6.053 8.571 733 HB3 ASP 87 HB3 ASP 87 15.442 -6.535 7.230 734 H LYS 88 H LYS 88 12.100 -4.973 7.543 735 HA LYS 88 HA LYS 88 11.292 -6.861 5.622 736 HB2 LYS 88 HB2 LYS 88 8.988 -6.392 6.393 737 HB3 LYS 88 HB3 LYS 88 10.110 -6.575 7.735 738 HG2 LYS 88 HG2 LYS 88 10.211 -4.108 7.978 739 HG3 LYS 88 HG3 LYS 88 9.055 -3.935 6.656 740 HD2 LYS 88 HD2 LYS 88 8.515 -5.353 9.300 741 HD3 LYS 88 HD3 LYS 88 8.004 -3.711 8.902 742 HE2 LYS 88 HE2 LYS 88 6.600 -4.615 7.051 743 HE3 LYS 88 HE3 LYS 88 7.098 -6.251 7.491 744 HZ1 LYS 88 HZ1 LYS 88 4.947 -5.660 8.399 745 HZ2 LYS 88 HZ2 LYS 88 5.628 -4.372 9.251 746 HZ3 LYS 88 HZ3 LYS 88 6.061 -5.964 9.628 747 H TRP 89 H TRP 89 11.412 -3.337 5.353 748 HA TRP 89 HA TRP 89 10.063 -3.491 2.705 749 HB2 TRP 89 HB2 TRP 89 10.406 -1.045 4.495 750 HB3 TRP 89 HB3 TRP 89 9.601 -1.067 2.928 751 HD1 TRP 89 HD1 TRP 89 8.718 -1.081 6.444 752 HE1 TRP 89 HE1 TRP 89 6.387 -2.074 6.852 753 HE3 TRP 89 HE3 TRP 89 7.940 -3.343 1.906 754 HZ2 TRP 89 HZ2 TRP 89 4.479 -3.621 5.481 755 HZ3 TRP 89 HZ3 TRP 89 5.834 -4.564 1.541 756 HH2 TRP 89 HH2 TRP 89 4.135 -4.698 3.295 757 H ALA 90 H ALA 90 13.111 -3.164 4.110 758 HA ALA 90 HA ALA 90 14.414 -1.241 2.512 759 HB1 ALA 90 HB1 ALA 90 15.616 -3.717 3.790 760 HB2 ALA 90 HB2 ALA 90 15.376 -2.157 4.583 761 HB3 ALA 90 HB3 ALA 90 16.506 -2.294 3.232 762 H ASN 91 H ASN 91 13.669 -4.631 1.838 763 HA ASN 91 HA ASN 91 15.050 -4.474 -0.794 764 HB2 ASN 91 HB2 ASN 91 14.340 -6.992 0.774 765 HB3 ASN 91 HB3 ASN 91 15.308 -6.912 -0.697 766 HD21 ASN 91 HD21 ASN 91 17.393 -5.827 -0.548 767 HD22 ASN 91 HD22 ASN 91 18.239 -5.819 0.949 768 H SER 92 H SER 92 12.072 -3.974 0.294 769 HA SER 92 HA SER 92 10.526 -5.869 -1.284 770 HB2 SER 92 HB2 SER 92 9.659 -3.540 0.466 771 HB3 SER 92 HB3 SER 92 8.533 -4.596 -0.400 772 HG SER 92 HG SER 92 9.113 -5.124 1.882 773 H LYS 93 H LYS 93 9.774 -5.604 -3.253 774 HA LYS 93 HA LYS 93 10.265 -3.381 -4.948 775 HB2 LYS 93 HB2 LYS 93 10.012 -5.653 -5.818 776 HB3 LYS 93 HB3 LYS 93 8.360 -5.745 -5.217 777 HG2 LYS 93 HG2 LYS 93 7.684 -3.991 -6.831 778 HG3 LYS 93 HG3 LYS 93 9.343 -3.916 -7.439 779 HD2 LYS 93 HD2 LYS 93 9.190 -6.266 -8.179 780 HD3 LYS 93 HD3 LYS 93 7.556 -6.382 -7.514 781 HE2 LYS 93 HE2 LYS 93 7.512 -6.054 -9.953 782 HE3 LYS 93 HE3 LYS 93 6.764 -4.697 -9.114 783 HZ1 LYS 93 HZ1 LYS 93 8.204 -3.979 -10.920 784 HZ2 LYS 93 HZ2 LYS 93 9.533 -4.729 -10.197 785 HZ3 LYS 93 HZ3 LYS 93 8.784 -3.420 -9.432 786 H LEU 94 H LEU 94 7.408 -4.399 -3.091 787 HA LEU 94 HA LEU 94 5.393 -2.762 -4.036 788 HB2 LEU 94 HB2 LEU 94 5.099 -4.545 -2.362 789 HB3 LEU 94 HB3 LEU 94 5.953 -3.580 -1.169 790 HG LEU 94 HG LEU 94 4.093 -1.861 -1.336 791 HD11 LEU 94 HD11 LEU 94 1.948 -2.521 -2.314 792 HD12 LEU 94 HD12 LEU 94 2.670 -4.006 -2.938 793 HD13 LEU 94 HD13 LEU 94 3.212 -2.436 -3.541 794 HD21 LEU 94 HD21 LEU 94 3.294 -4.637 -0.415 795 HD22 LEU 94 HD22 LEU 94 2.516 -3.123 0.057 796 HD23 LEU 94 HD23 LEU 94 4.186 -3.436 0.523 797 H LEU 95 H LEU 95 7.851 -1.928 -1.607 798 HA LEU 95 HA LEU 95 6.948 0.629 -0.857 799 HB2 LEU 95 HB2 LEU 95 8.679 -0.618 0.381 800 HB3 LEU 95 HB3 LEU 95 9.778 -0.470 -0.983 801 HG LEU 95 HG LEU 95 9.687 2.059 -0.670 802 HD11 LEU 95 HD11 LEU 95 8.923 2.946 1.478 803 HD12 LEU 95 HD12 LEU 95 8.307 1.356 1.934 804 HD13 LEU 95 HD13 LEU 95 7.597 2.223 0.568 805 HD21 LEU 95 HD21 LEU 95 10.810 0.451 1.640 806 HD22 LEU 95 HD22 LEU 95 11.275 2.095 1.191 807 HD23 LEU 95 HD23 LEU 95 11.607 0.758 0.093 808 H LYS 96 H LYS 96 9.127 -0.392 -3.450 809 HA LYS 96 HA LYS 96 9.893 2.195 -4.394 810 HB2 LYS 96 HB2 LYS 96 9.922 -0.446 -5.927 811 HB3 LYS 96 HB3 LYS 96 10.894 0.988 -6.278 812 HG2 LYS 96 HG2 LYS 96 12.095 0.704 -4.137 813 HG3 LYS 96 HG3 LYS 96 11.100 -0.708 -3.759 814 HD2 LYS 96 HD2 LYS 96 12.032 -1.852 -5.787 815 HD3 LYS 96 HD3 LYS 96 13.082 -0.455 -6.061 816 HE2 LYS 96 HE2 LYS 96 14.109 -0.855 -3.802 817 HE3 LYS 96 HE3 LYS 96 13.123 -2.311 -3.648 818 HZ1 LYS 96 HZ1 LYS 96 15.334 -2.836 -4.396 819 HZ2 LYS 96 HZ2 LYS 96 15.183 -1.804 -5.725 820 HZ3 LYS 96 HZ3 LYS 96 14.221 -3.195 -5.619 821 H GLN 97 H GLN 97 7.319 -0.068 -5.257 822 HA GLN 97 HA GLN 97 6.122 1.286 -7.427 823 HB2 GLN 97 HB2 GLN 97 4.746 -0.391 -5.283 824 HB3 GLN 97 HB3 GLN 97 4.067 0.017 -6.853 825 HG2 GLN 97 HG2 GLN 97 6.525 -1.706 -6.438 826 HG3 GLN 97 HG3 GLN 97 4.890 -2.330 -6.629 827 HE21 GLN 97 HE21 GLN 97 5.261 -3.461 -8.505 828 HE22 GLN 97 HE22 GLN 97 5.652 -2.716 -10.012 829 H LEU 98 H LEU 98 5.721 1.609 -3.925 830 HA LEU 98 HA LEU 98 3.497 3.417 -3.995 831 HB2 LEU 98 HB2 LEU 98 3.989 1.834 -2.119 832 HB3 LEU 98 HB3 LEU 98 5.411 2.783 -1.719 833 HG LEU 98 HG LEU 98 3.959 4.722 -1.149 834 HD11 LEU 98 HD11 LEU 98 2.069 4.303 -2.631 835 HD12 LEU 98 HD12 LEU 98 1.518 4.453 -0.964 836 HD13 LEU 98 HD13 LEU 98 1.634 2.856 -1.713 837 HD21 LEU 98 HD21 LEU 98 3.036 3.828 0.942 838 HD22 LEU 98 HD22 LEU 98 4.639 3.169 0.629 839 HD23 LEU 98 HD23 LEU 98 3.206 2.180 0.333 840 H GLN 99 H GLN 99 6.997 3.814 -3.764 841 HA GLN 99 HA GLN 99 7.012 6.631 -3.258 842 HB2 GLN 99 HB2 GLN 99 9.162 4.718 -4.233 843 HB3 GLN 99 HB3 GLN 99 9.469 6.439 -3.996 844 HG2 GLN 99 HG2 GLN 99 8.838 6.232 -1.621 845 HG3 GLN 99 HG3 GLN 99 8.533 4.511 -1.850 846 HE21 GLN 99 HE21 GLN 99 10.063 4.146 -0.169 847 HE22 GLN 99 HE22 GLN 99 11.758 4.211 -0.482 848 H GLU 100 H GLU 100 7.318 4.743 -6.322 849 HA GLU 100 HA GLU 100 7.603 7.050 -7.997 850 HB2 GLU 100 HB2 GLU 100 7.127 5.589 -9.902 851 HB3 GLU 100 HB3 GLU 100 8.271 4.819 -8.811 852 HG2 GLU 100 HG2 GLU 100 6.582 3.332 -7.961 853 HG3 GLU 100 HG3 GLU 100 5.307 4.203 -8.805 854 H PHE 101 H PHE 101 4.808 5.253 -6.779 855 HA PHE 101 HA PHE 101 2.763 6.669 -8.136 856 HB2 PHE 101 HB2 PHE 101 2.276 4.555 -6.984 857 HB3 PHE 101 HB3 PHE 101 2.693 5.265 -5.426 858 HD1 PHE 101 HD2 PHE 101 0.222 5.460 -8.231 859 HD2 PHE 101 HD1 PHE 101 1.043 6.465 -4.154 860 HE1 PHE 101 HE2 PHE 101 -2.090 6.240 -7.947 861 HE2 PHE 101 HE1 PHE 101 -1.271 7.249 -3.889 862 HZ PHE 101 HZ PHE 101 -2.836 7.141 -5.784 863 H SER 102 H SER 102 4.323 7.247 -4.955 864 HA SER 102 HA SER 102 2.790 9.420 -4.067 865 HB2 SER 102 HB2 SER 102 4.410 8.197 -2.637 866 HB3 SER 102 HB3 SER 102 5.746 8.912 -3.535 867 HG SER 102 HG SER 102 5.501 10.714 -2.459 868 H GLU 103 H GLU 103 5.359 9.337 -6.446 869 HA GLU 103 HA GLU 103 5.464 12.193 -6.898 870 HB2 GLU 103 HB2 GLU 103 6.293 9.878 -8.697 871 HB3 GLU 103 HB3 GLU 103 6.728 11.567 -8.936 872 HG2 GLU 103 HG2 GLU 103 7.584 9.888 -6.553 873 HG3 GLU 103 HG3 GLU 103 8.549 10.115 -8.007 874 H ASN 104 H ASN 104 4.243 9.499 -8.973 875 HA ASN 104 HA ASN 104 2.899 11.410 -10.748 876 HB2 ASN 104 HB2 ASN 104 3.585 8.457 -10.991 877 HB3 ASN 104 HB3 ASN 104 2.644 9.303 -12.207 878 HD21 ASN 104 HD21 ASN 104 5.407 10.786 -10.534 879 HD22 ASN 104 HD22 ASN 104 6.430 10.812 -11.911 880 H LYS 105 H LYS 105 1.671 10.502 -8.060 881 HA LYS 105 HA LYS 105 -0.584 8.892 -8.536 882 HB2 LYS 105 HB2 LYS 105 -1.521 9.920 -6.416 883 HB3 LYS 105 HB3 LYS 105 0.040 9.123 -6.300 884 HG2 LYS 105 HG2 LYS 105 1.122 11.396 -6.397 885 HG3 LYS 105 HG3 LYS 105 -0.500 12.105 -6.291 886 HD2 LYS 105 HD2 LYS 105 -0.864 10.983 -4.123 887 HD3 LYS 105 HD3 LYS 105 0.708 10.189 -4.249 888 HE2 LYS 105 HE2 LYS 105 0.909 12.049 -2.732 889 HE3 LYS 105 HE3 LYS 105 1.789 12.438 -4.212 890 HZ1 LYS 105 HZ1 LYS 105 -0.916 13.415 -3.487 891 HZ2 LYS 105 HZ2 LYS 105 -0.124 13.753 -4.935 892 HZ3 LYS 105 HZ3 LYS 105 0.508 14.322 -3.477 893 H GLU 106 H GLU 106 -0.222 12.388 -8.829 894 HA GLU 106 HA GLU 106 -2.931 12.598 -10.016 895 HB2 GLU 106 HB2 GLU 106 -1.593 14.575 -8.111 896 HB3 GLU 106 HB3 GLU 106 -3.129 14.855 -8.927 897 HG2 GLU 106 HG2 GLU 106 -2.661 12.568 -6.981 898 HG3 GLU 106 HG3 GLU 106 -3.241 14.156 -6.483 899 H LYS 107 H LYS 107 -0.398 15.044 -9.571 900 HA LYS 107 HA LYS 107 0.597 15.000 -12.249 901 HB2 LYS 107 HB2 LYS 107 -0.225 17.236 -12.910 902 HB3 LYS 107 HB3 LYS 107 -1.530 16.091 -12.736 903 HG2 LYS 107 HG2 LYS 107 -0.874 17.992 -10.480 904 HG3 LYS 107 HG3 LYS 107 -1.807 18.569 -11.860 905 HD2 LYS 107 HD2 LYS 107 -2.563 16.277 -10.002 906 HD3 LYS 107 HD3 LYS 107 -3.287 17.884 -10.014 907 HE2 LYS 107 HE2 LYS 107 -4.205 17.473 -12.262 908 HE3 LYS 107 HE3 LYS 107 -3.413 15.897 -12.323 909 HZ1 LYS 107 HZ1 LYS 107 -5.505 16.689 -10.374 910 HZ2 LYS 107 HZ2 LYS 107 -4.787 15.159 -10.508 911 HZ3 LYS 107 HZ3 LYS 107 -5.753 15.751 -11.757 912 H GLU 108 H GLU 108 1.875 14.782 -9.804 913 HA GLU 108 HA GLU 108 3.324 17.320 -9.398 914 HB2 GLU 108 HB2 GLU 108 2.931 17.177 -6.949 915 HB3 GLU 108 HB3 GLU 108 1.431 17.384 -7.852 916 HG2 GLU 108 HG2 GLU 108 1.143 14.846 -7.677 917 HG3 GLU 108 HG3 GLU 108 2.462 14.869 -6.505 918 H ILE 109 H ILE 109 4.867 16.736 -7.264 919 HA ILE 109 HA ILE 109 6.271 14.179 -7.830 920 HB ILE 109 HB ILE 109 8.378 15.229 -7.081 921 HG12 ILE 109 HG12 ILE 109 6.816 17.857 -6.942 922 HG13 ILE 109 HG13 ILE 109 7.422 16.962 -5.554 923 HG21 ILE 109 HG21 ILE 109 8.797 16.651 -9.056 924 HG22 ILE 109 HG22 ILE 109 7.060 16.775 -9.343 925 HG23 ILE 109 HG23 ILE 109 7.866 15.211 -9.480 926 HD11 ILE 109 HD11 ILE 109 9.100 18.281 -7.686 927 HD12 ILE 109 HD12 ILE 109 9.720 17.361 -6.312 928 HD13 ILE 109 HD13 ILE 109 8.831 18.858 -6.041 Start of MODEL 13 1 H1 MET 1 H1 MET 1 7.881 -23.223 -22.804 2 H2 MET 1 H2 MET 1 8.286 -21.806 -21.980 3 H3 MET 1 H3 MET 1 9.494 -22.736 -22.699 4 HA MET 1 HA MET 1 9.054 -20.779 -23.997 5 HB2 MET 1 HB2 MET 1 9.783 -22.857 -25.124 6 HB3 MET 1 HB3 MET 1 8.110 -23.361 -25.313 7 HG2 MET 1 HG2 MET 1 7.717 -21.411 -26.796 8 HG3 MET 1 HG3 MET 1 9.419 -20.967 -26.632 9 HE1 MET 1 HE1 MET 1 9.207 -22.341 -30.314 10 HE2 MET 1 HE2 MET 1 9.749 -21.003 -29.306 11 HE3 MET 1 HE3 MET 1 8.027 -21.359 -29.448 12 H GLY 2 H GLY 2 6.204 -22.930 -24.461 13 HA2 GLY 2 HA2 GLY 2 4.568 -20.699 -25.360 14 HA3 GLY 2 HA3 GLY 2 4.152 -22.402 -25.394 15 H HIS 3 H HIS 3 4.816 -22.596 -22.390 16 HA HIS 3 HA HIS 3 2.070 -22.100 -21.546 17 HB2 HIS 3 HB2 HIS 3 4.371 -23.224 -19.891 18 HB3 HIS 3 HB3 HIS 3 2.666 -23.284 -19.473 19 HD1 HIS 3 HD1 HIS 3 1.275 -25.175 -20.490 20 HD2 HIS 3 HD2 HIS 3 5.191 -25.062 -21.887 21 HE1 HIS 3 HE1 HIS 3 1.623 -27.338 -21.709 22 HE2 HIS 3 HE2 HIS 3 4.004 -27.277 -22.497 23 H HIS 4 H HIS 4 2.152 -19.727 -21.684 24 HA HIS 4 HA HIS 4 3.603 -18.290 -19.558 25 HB2 HIS 4 HB2 HIS 4 1.856 -17.301 -21.851 26 HB3 HIS 4 HB3 HIS 4 2.571 -16.235 -20.645 27 HD1 HIS 4 HD1 HIS 4 4.963 -15.546 -20.982 28 HD2 HIS 4 HD2 HIS 4 3.814 -18.577 -23.580 29 HE1 HIS 4 HE1 HIS 4 6.854 -15.785 -22.610 30 HE2 HIS 4 HE2 HIS 4 6.206 -17.719 -24.074 31 H HIS 5 H HIS 5 0.268 -19.052 -20.538 32 HA HIS 5 HA HIS 5 -0.673 -18.780 -17.792 33 HB2 HIS 5 HB2 HIS 5 -2.565 -17.230 -18.429 34 HB3 HIS 5 HB3 HIS 5 -0.978 -16.479 -18.531 35 HD1 HIS 5 HD1 HIS 5 -3.843 -17.628 -20.659 36 HD2 HIS 5 HD2 HIS 5 -0.187 -15.701 -21.123 37 HE1 HIS 5 HE1 HIS 5 -3.862 -16.699 -22.984 38 HE2 HIS 5 HE2 HIS 5 -1.666 -15.507 -23.239 39 H HIS 6 H HIS 6 -0.393 -21.103 -19.048 40 HA HIS 6 HA HIS 6 -3.170 -22.031 -19.428 41 HB2 HIS 6 HB2 HIS 6 -0.862 -22.532 -21.327 42 HB3 HIS 6 HB3 HIS 6 -2.113 -23.756 -21.149 43 HD1 HIS 6 HD1 HIS 6 -4.321 -23.358 -22.295 44 HD2 HIS 6 HD2 HIS 6 -1.812 -20.052 -22.509 45 HE1 HIS 6 HE1 HIS 6 -5.405 -21.799 -23.927 46 HE2 HIS 6 HE2 HIS 6 -3.809 -19.871 -24.142 47 H HIS 7 H HIS 7 -3.628 -23.525 -18.019 48 HA HIS 7 HA HIS 7 -1.662 -25.539 -17.095 49 HB2 HIS 7 HB2 HIS 7 -3.759 -24.166 -15.338 50 HB3 HIS 7 HB3 HIS 7 -2.614 -25.395 -14.810 51 HD1 HIS 7 HD1 HIS 7 -0.048 -24.627 -14.765 52 HD2 HIS 7 HD2 HIS 7 -2.822 -21.569 -15.210 53 HE1 HIS 7 HE1 HIS 7 1.204 -22.514 -14.287 54 HE2 HIS 7 HE2 HIS 7 -0.541 -20.711 -14.351 55 H HIS 8 H HIS 8 -3.182 -27.299 -15.750 56 HA HIS 8 HA HIS 8 -4.992 -28.493 -17.596 57 HB2 HIS 8 HB2 HIS 8 -5.547 -30.102 -15.779 58 HB3 HIS 8 HB3 HIS 8 -3.811 -29.874 -15.935 59 HD1 HIS 8 HD1 HIS 8 -6.687 -28.851 -13.659 60 HD2 HIS 8 HD2 HIS 8 -2.539 -29.116 -13.612 61 HE1 HIS 8 HE1 HIS 8 -6.006 -28.390 -11.290 62 HE2 HIS 8 HE2 HIS 8 -3.532 -28.794 -11.254 63 H SER 9 H SER 9 -7.301 -28.895 -17.304 64 HA SER 9 HA SER 9 -8.872 -26.603 -16.781 65 HB2 SER 9 HB2 SER 9 -10.840 -28.136 -17.044 66 HB3 SER 9 HB3 SER 9 -9.651 -28.343 -18.327 67 HG SER 9 HG SER 9 -10.328 -30.342 -17.570 68 H HIS 10 H HIS 10 -10.221 -26.041 -15.087 69 HA HIS 10 HA HIS 10 -10.682 -25.509 -12.948 70 HB2 HIS 10 HB2 HIS 10 -10.141 -28.426 -12.238 71 HB3 HIS 10 HB3 HIS 10 -11.040 -27.262 -11.268 72 HD1 HIS 10 HD1 HIS 10 -11.412 -29.711 -13.974 73 HD2 HIS 10 HD2 HIS 10 -13.618 -26.545 -12.433 74 HE1 HIS 10 HE1 HIS 10 -13.713 -29.967 -14.936 75 HE2 HIS 10 HE2 HIS 10 -15.050 -28.099 -13.923 76 H MET 11 H MET 11 -9.043 -24.095 -12.479 77 HA MET 11 HA MET 11 -6.330 -24.781 -11.928 78 HB2 MET 11 HB2 MET 11 -7.068 -22.532 -12.750 79 HB3 MET 11 HB3 MET 11 -7.837 -22.222 -11.200 80 HG2 MET 11 HG2 MET 11 -5.601 -22.389 -10.109 81 HG3 MET 11 HG3 MET 11 -4.872 -22.589 -11.705 82 HE1 MET 11 HE1 MET 11 -3.781 -18.945 -10.730 83 HE2 MET 11 HE2 MET 11 -3.228 -20.528 -11.281 84 HE3 MET 11 HE3 MET 11 -3.911 -20.343 -9.663 85 H ILE 12 H ILE 12 -5.192 -24.823 -9.924 86 HA ILE 12 HA ILE 12 -6.550 -25.951 -7.691 87 HB ILE 12 HB ILE 12 -3.703 -24.850 -7.804 88 HG12 ILE 12 HG12 ILE 12 -4.700 -27.710 -8.256 89 HG13 ILE 12 HG13 ILE 12 -4.094 -26.630 -9.507 90 HG21 ILE 12 HG21 ILE 12 -3.251 -26.319 -5.847 91 HG22 ILE 12 HG22 ILE 12 -4.956 -26.769 -5.792 92 HG23 ILE 12 HG23 ILE 12 -4.474 -25.101 -5.477 93 HD11 ILE 12 HD11 ILE 12 -2.492 -27.750 -7.203 94 HD12 ILE 12 HD12 ILE 12 -1.876 -26.662 -8.452 95 HD13 ILE 12 HD13 ILE 12 -2.430 -28.279 -8.884 96 H LYS 13 H LYS 13 -8.091 -24.548 -6.905 97 HA LYS 13 HA LYS 13 -7.130 -22.157 -5.428 98 HB2 LYS 13 HB2 LYS 13 -9.900 -22.679 -6.597 99 HB3 LYS 13 HB3 LYS 13 -9.481 -21.305 -5.571 100 HG2 LYS 13 HG2 LYS 13 -7.764 -20.642 -7.317 101 HG3 LYS 13 HG3 LYS 13 -8.424 -21.906 -8.356 102 HD2 LYS 13 HD2 LYS 13 -9.409 -19.819 -9.038 103 HD3 LYS 13 HD3 LYS 13 -10.667 -20.743 -8.220 104 HE2 LYS 13 HE2 LYS 13 -9.035 -18.599 -6.808 105 HE3 LYS 13 HE3 LYS 13 -10.534 -18.244 -7.663 106 HZ1 LYS 13 HZ1 LYS 13 -11.632 -19.876 -6.181 107 HZ2 LYS 13 HZ2 LYS 13 -11.029 -18.521 -5.388 108 HZ3 LYS 13 HZ3 LYS 13 -10.203 -19.985 -5.284 109 H ARG 14 H ARG 14 -7.243 -22.305 -3.285 110 HA ARG 14 HA ARG 14 -7.983 -24.793 -2.035 111 HB2 ARG 14 HB2 ARG 14 -6.977 -22.204 -0.775 112 HB3 ARG 14 HB3 ARG 14 -7.009 -23.788 0.006 113 HG2 ARG 14 HG2 ARG 14 -5.357 -24.651 -1.571 114 HG3 ARG 14 HG3 ARG 14 -5.408 -23.151 -2.500 115 HD2 ARG 14 HD2 ARG 14 -4.514 -21.935 -0.491 116 HD3 ARG 14 HD3 ARG 14 -4.357 -23.490 0.332 117 HE ARG 14 HE ARG 14 -2.617 -24.093 -1.122 118 HH11 ARG 14 HH11 ARG 14 -3.728 -20.884 -1.845 119 HH12 ARG 14 HH12 ARG 14 -2.366 -20.537 -2.847 120 HH21 ARG 14 HH21 ARG 14 -0.913 -23.611 -2.429 121 HH22 ARG 14 HH22 ARG 14 -0.795 -22.049 -3.160 122 H THR 15 H THR 15 -9.284 -21.505 -2.031 123 HA THR 15 HA THR 15 -11.675 -22.388 -0.502 124 HB THR 15 HB THR 15 -11.895 -20.035 0.338 125 HG1 THR 15 HG1 THR 15 -9.922 -18.705 0.090 126 HG21 THR 15 HG21 THR 15 -9.202 -21.276 1.021 127 HG22 THR 15 HG22 THR 15 -10.743 -21.686 1.779 128 HG23 THR 15 HG23 THR 15 -10.060 -20.072 1.986 129 H ASN 16 H ASN 16 -13.544 -20.796 -0.889 130 HA ASN 16 HA ASN 16 -14.251 -20.720 -3.659 131 HB2 ASN 16 HB2 ASN 16 -15.835 -21.144 -1.737 132 HB3 ASN 16 HB3 ASN 16 -15.679 -19.455 -1.277 133 HD21 ASN 16 HD21 ASN 16 -17.865 -19.036 -1.573 134 HD22 ASN 16 HD22 ASN 16 -18.623 -19.016 -3.125 135 H GLU 17 H GLU 17 -12.459 -18.570 -1.753 136 HA GLU 17 HA GLU 17 -13.267 -15.992 -2.539 137 HB2 GLU 17 HB2 GLU 17 -11.794 -16.455 -0.602 138 HB3 GLU 17 HB3 GLU 17 -10.523 -17.012 -1.685 139 HG2 GLU 17 HG2 GLU 17 -10.401 -14.695 -2.653 140 HG3 GLU 17 HG3 GLU 17 -11.581 -14.172 -1.451 141 HA PRO 18 HA PRO 18 -11.332 -15.962 -6.762 142 HB2 PRO 18 HB2 PRO 18 -12.909 -13.470 -7.134 143 HB3 PRO 18 HB3 PRO 18 -12.970 -14.975 -8.059 144 HG2 PRO 18 HG2 PRO 18 -14.997 -14.211 -6.415 145 HG3 PRO 18 HG3 PRO 18 -14.590 -15.918 -6.692 146 HD2 PRO 18 HD2 PRO 18 -13.838 -14.143 -4.362 147 HD3 PRO 18 HD3 PRO 18 -14.456 -15.813 -4.353 148 H LEU 19 H LEU 19 -9.903 -14.412 -7.748 149 HA LEU 19 HA LEU 19 -8.266 -12.852 -6.052 150 HB2 LEU 19 HB2 LEU 19 -8.370 -13.531 -8.915 151 HB3 LEU 19 HB3 LEU 19 -7.829 -11.885 -8.689 152 HG LEU 19 HG LEU 19 -5.978 -13.543 -8.854 153 HD11 LEU 19 HD11 LEU 19 -6.102 -12.067 -6.208 154 HD12 LEU 19 HD12 LEU 19 -5.615 -11.382 -7.761 155 HD13 LEU 19 HD13 LEU 19 -4.638 -12.642 -7.014 156 HD21 LEU 19 HD21 LEU 19 -6.917 -14.527 -6.134 157 HD22 LEU 19 HD22 LEU 19 -5.471 -15.052 -7.004 158 HD23 LEU 19 HD23 LEU 19 -7.066 -15.422 -7.654 159 H ASP 20 H ASP 20 -11.098 -12.035 -7.922 160 HA ASP 20 HA ASP 20 -11.078 -9.226 -7.702 161 HB2 ASP 20 HB2 ASP 20 -13.411 -11.179 -7.807 162 HB3 ASP 20 HB3 ASP 20 -13.593 -9.433 -7.947 163 H LYS 21 H LYS 21 -12.286 -11.687 -5.344 164 HA LYS 21 HA LYS 21 -13.240 -9.747 -3.455 165 HB2 LYS 21 HB2 LYS 21 -12.786 -12.722 -3.304 166 HB3 LYS 21 HB3 LYS 21 -12.999 -11.830 -1.799 167 HG2 LYS 21 HG2 LYS 21 -15.162 -10.927 -2.722 168 HG3 LYS 21 HG3 LYS 21 -14.964 -12.019 -4.100 169 HD2 LYS 21 HD2 LYS 21 -15.075 -13.964 -2.635 170 HD3 LYS 21 HD3 LYS 21 -15.082 -12.940 -1.195 171 HE2 LYS 21 HE2 LYS 21 -17.336 -13.796 -1.724 172 HE3 LYS 21 HE3 LYS 21 -17.270 -12.035 -1.821 173 HZ1 LYS 21 HZ1 LYS 21 -17.164 -13.903 -4.124 174 HZ2 LYS 21 HZ2 LYS 21 -17.113 -12.217 -4.218 175 HZ3 LYS 21 HZ3 LYS 21 -18.501 -12.986 -3.650 176 H LYS 22 H LYS 22 -10.146 -11.517 -3.753 177 HA LYS 22 HA LYS 22 -8.899 -10.507 -1.429 178 HB2 LYS 22 HB2 LYS 22 -7.792 -12.299 -2.586 179 HB3 LYS 22 HB3 LYS 22 -7.732 -11.390 -4.095 180 HG2 LYS 22 HG2 LYS 22 -6.068 -9.875 -3.215 181 HG3 LYS 22 HG3 LYS 22 -6.239 -10.537 -1.589 182 HD2 LYS 22 HD2 LYS 22 -5.196 -12.136 -3.960 183 HD3 LYS 22 HD3 LYS 22 -4.163 -11.232 -2.850 184 HE2 LYS 22 HE2 LYS 22 -4.087 -13.404 -1.979 185 HE3 LYS 22 HE3 LYS 22 -5.311 -12.618 -0.987 186 HZ1 LYS 22 HZ1 LYS 22 -5.885 -14.366 -3.315 187 HZ2 LYS 22 HZ2 LYS 22 -7.025 -13.687 -2.254 188 HZ3 LYS 22 HZ3 LYS 22 -5.938 -14.846 -1.696 189 H ARG 23 H ARG 23 -8.736 -9.288 -4.776 190 HA ARG 23 HA ARG 23 -7.257 -6.968 -4.385 191 HB2 ARG 23 HB2 ARG 23 -7.621 -7.816 -6.600 192 HB3 ARG 23 HB3 ARG 23 -9.368 -7.680 -6.450 193 HG2 ARG 23 HG2 ARG 23 -9.282 -5.279 -6.608 194 HG3 ARG 23 HG3 ARG 23 -7.524 -5.272 -6.444 195 HD2 ARG 23 HD2 ARG 23 -8.398 -4.897 -8.792 196 HD3 ARG 23 HD3 ARG 23 -7.211 -6.196 -8.618 197 HE ARG 23 HE ARG 23 -10.112 -6.789 -8.700 198 HH11 ARG 23 HH11 ARG 23 -6.936 -7.239 -9.989 199 HH12 ARG 23 HH12 ARG 23 -7.437 -8.469 -11.086 200 HH21 ARG 23 HH21 ARG 23 -10.732 -8.390 -10.113 201 HH22 ARG 23 HH22 ARG 23 -9.564 -9.102 -11.165 202 H ALA 24 H ALA 24 -10.830 -7.307 -4.388 203 HA ALA 24 HA ALA 24 -11.482 -4.607 -3.891 204 HB1 ALA 24 HB1 ALA 24 -13.712 -5.423 -3.247 205 HB2 ALA 24 HB2 ALA 24 -13.090 -7.074 -3.140 206 HB3 ALA 24 HB3 ALA 24 -13.134 -6.245 -4.697 207 H ARG 25 H ARG 25 -10.926 -7.314 -1.643 208 HA ARG 25 HA ARG 25 -11.523 -6.068 0.809 209 HB2 ARG 25 HB2 ARG 25 -11.221 -8.509 0.543 210 HB3 ARG 25 HB3 ARG 25 -9.509 -8.275 0.205 211 HG2 ARG 25 HG2 ARG 25 -9.298 -7.296 2.555 212 HG3 ARG 25 HG3 ARG 25 -10.955 -7.842 2.844 213 HD2 ARG 25 HD2 ARG 25 -8.563 -9.584 2.135 214 HD3 ARG 25 HD3 ARG 25 -9.358 -9.480 3.709 215 HE ARG 25 HE ARG 25 -11.405 -10.253 2.242 216 HH11 ARG 25 HH11 ARG 25 -8.165 -11.476 2.085 217 HH12 ARG 25 HH12 ARG 25 -8.691 -13.042 1.572 218 HH21 ARG 25 HH21 ARG 25 -12.026 -12.236 1.594 219 HH22 ARG 25 HH22 ARG 25 -10.845 -13.469 1.319 220 H LEU 26 H LEU 26 -8.409 -6.288 -0.945 221 HA LEU 26 HA LEU 26 -6.854 -5.001 1.084 222 HB2 LEU 26 HB2 LEU 26 -6.224 -5.439 -1.847 223 HB3 LEU 26 HB3 LEU 26 -5.073 -4.890 -0.642 224 HG LEU 26 HG LEU 26 -6.373 -7.666 -0.750 225 HD11 LEU 26 HD11 LEU 26 -4.674 -7.321 -2.455 226 HD12 LEU 26 HD12 LEU 26 -4.112 -8.445 -1.223 227 HD13 LEU 26 HD13 LEU 26 -3.516 -6.784 -1.234 228 HD21 LEU 26 HD21 LEU 26 -4.929 -8.233 1.166 229 HD22 LEU 26 HD22 LEU 26 -6.068 -6.959 1.596 230 HD23 LEU 26 HD23 LEU 26 -4.378 -6.556 1.271 231 H ILE 27 H ILE 27 -8.216 -3.811 -2.038 232 HA ILE 27 HA ILE 27 -7.487 -1.091 -1.824 233 HB ILE 27 HB ILE 27 -10.029 -2.193 -3.111 234 HG12 ILE 27 HG12 ILE 27 -7.337 -1.626 -4.420 235 HG13 ILE 27 HG13 ILE 27 -7.955 -3.227 -4.045 236 HG21 ILE 27 HG21 ILE 27 -10.163 0.259 -2.768 237 HG22 ILE 27 HG22 ILE 27 -10.043 -0.125 -4.486 238 HG23 ILE 27 HG23 ILE 27 -8.625 0.466 -3.613 239 HD11 ILE 27 HD11 ILE 27 -8.203 -2.719 -6.389 240 HD12 ILE 27 HD12 ILE 27 -9.145 -1.278 -6.013 241 HD13 ILE 27 HD13 ILE 27 -9.789 -2.879 -5.634 242 H TYR 28 H TYR 28 -10.200 -2.874 -0.415 243 HA TYR 28 HA TYR 28 -11.643 -0.711 0.709 244 HB2 TYR 28 HB2 TYR 28 -12.645 -2.921 0.465 245 HB3 TYR 28 HB3 TYR 28 -11.453 -3.636 1.538 246 HD1 TYR 28 HD2 TYR 28 -14.237 -1.108 1.499 247 HD2 TYR 28 HD1 TYR 28 -11.975 -3.880 3.844 248 HE1 TYR 28 HE2 TYR 28 -15.777 -0.775 3.384 249 HE2 TYR 28 HE1 TYR 28 -13.521 -3.551 5.726 250 HH TYR 28 HH TYR 28 -15.110 -1.824 6.532 251 H GLN 29 H GLN 29 -9.032 -2.771 2.077 252 HA GLN 29 HA GLN 29 -9.037 -1.430 4.655 253 HB2 GLN 29 HB2 GLN 29 -7.092 -3.452 3.489 254 HB3 GLN 29 HB3 GLN 29 -7.114 -2.915 5.171 255 HG2 GLN 29 HG2 GLN 29 -9.297 -3.912 5.520 256 HG3 GLN 29 HG3 GLN 29 -9.434 -4.324 3.812 257 HE21 GLN 29 HE21 GLN 29 -7.999 -5.938 2.962 258 HE22 GLN 29 HE22 GLN 29 -7.325 -7.143 3.998 259 H SER 30 H SER 30 -7.501 -0.776 1.653 260 HA SER 30 HA SER 30 -5.520 1.050 2.793 261 HB2 SER 30 HB2 SER 30 -5.087 1.702 0.453 262 HB3 SER 30 HB3 SER 30 -5.064 -0.049 0.622 263 HG SER 30 HG SER 30 -7.237 1.500 -0.360 264 H ARG 31 H ARG 31 -8.770 1.083 1.560 265 HA ARG 31 HA ARG 31 -9.210 3.941 1.695 266 HB2 ARG 31 HB2 ARG 31 -10.357 2.444 0.069 267 HB3 ARG 31 HB3 ARG 31 -11.147 1.602 1.395 268 HG2 ARG 31 HG2 ARG 31 -12.382 3.660 1.968 269 HG3 ARG 31 HG3 ARG 31 -11.566 4.517 0.656 270 HD2 ARG 31 HD2 ARG 31 -12.598 3.024 -0.993 271 HD3 ARG 31 HD3 ARG 31 -13.368 2.096 0.301 272 HE ARG 31 HE ARG 31 -14.212 4.706 0.648 273 HH11 ARG 31 HH11 ARG 31 -14.462 2.354 -1.877 274 HH12 ARG 31 HH12 ARG 31 -15.965 2.977 -2.446 275 HH21 ARG 31 HH21 ARG 31 -16.148 5.457 -0.069 276 HH22 ARG 31 HH22 ARG 31 -16.918 4.711 -1.423 277 H LYS 32 H LYS 32 -9.252 1.316 3.987 278 HA LYS 32 HA LYS 32 -10.426 3.098 6.053 279 HB2 LYS 32 HB2 LYS 32 -9.474 0.258 6.623 280 HB3 LYS 32 HB3 LYS 32 -10.648 1.225 7.504 281 HG2 LYS 32 HG2 LYS 32 -11.029 -0.229 4.883 282 HG3 LYS 32 HG3 LYS 32 -11.798 -0.577 6.423 283 HD2 LYS 32 HD2 LYS 32 -12.289 1.975 4.837 284 HD3 LYS 32 HD3 LYS 32 -13.250 0.512 4.647 285 HE2 LYS 32 HE2 LYS 32 -14.454 2.015 6.095 286 HE3 LYS 32 HE3 LYS 32 -13.868 0.680 7.081 287 HZ1 LYS 32 HZ1 LYS 32 -12.583 3.339 6.885 288 HZ2 LYS 32 HZ2 LYS 32 -12.115 2.076 7.905 289 HZ3 LYS 32 HZ3 LYS 32 -13.601 2.843 8.133 290 H ARG 33 H ARG 33 -8.928 4.381 7.088 291 HA ARG 33 HA ARG 33 -6.228 3.412 7.676 292 HB2 ARG 33 HB2 ARG 33 -6.308 4.359 5.268 293 HB3 ARG 33 HB3 ARG 33 -6.560 5.932 6.002 294 HG2 ARG 33 HG2 ARG 33 -4.259 5.848 5.510 295 HG3 ARG 33 HG3 ARG 33 -4.345 5.550 7.247 296 HD2 ARG 33 HD2 ARG 33 -4.115 3.339 5.165 297 HD3 ARG 33 HD3 ARG 33 -2.726 4.070 5.965 298 HE ARG 33 HE ARG 33 -3.742 3.239 8.109 299 HH11 ARG 33 HH11 ARG 33 -4.527 1.580 5.165 300 HH12 ARG 33 HH12 ARG 33 -4.767 0.072 5.966 301 HH21 ARG 33 HH21 ARG 33 -4.017 1.284 9.080 302 HH22 ARG 33 HH22 ARG 33 -4.460 -0.092 8.137 303 H GLY 34 H GLY 34 -5.099 4.685 9.230 304 HA2 GLY 34 HA2 GLY 34 -6.584 5.942 11.247 305 HA3 GLY 34 HA3 GLY 34 -4.840 6.024 11.069 306 H ILE 35 H ILE 35 -4.541 7.463 8.724 307 HA ILE 35 HA ILE 35 -5.893 10.061 9.210 308 HB ILE 35 HB ILE 35 -3.902 11.205 8.294 309 HG12 ILE 35 HG12 ILE 35 -2.495 8.483 8.337 310 HG13 ILE 35 HG13 ILE 35 -3.071 9.267 6.870 311 HG21 ILE 35 HG21 ILE 35 -4.115 10.915 10.727 312 HG22 ILE 35 HG22 ILE 35 -2.423 10.898 10.234 313 HG23 ILE 35 HG23 ILE 35 -3.235 9.383 10.636 314 HD11 ILE 35 HD11 ILE 35 -0.693 9.569 7.174 315 HD12 ILE 35 HD12 ILE 35 -0.970 10.348 8.729 316 HD13 ILE 35 HD13 ILE 35 -1.537 11.115 7.244 317 H LEU 36 H LEU 36 -6.408 11.348 7.421 318 HA LEU 36 HA LEU 36 -7.436 9.952 5.158 319 HB2 LEU 36 HB2 LEU 36 -8.497 11.912 6.331 320 HB3 LEU 36 HB3 LEU 36 -7.272 12.950 5.647 321 HG LEU 36 HG LEU 36 -9.609 12.968 4.564 322 HD11 LEU 36 HD11 LEU 36 -7.693 14.025 3.479 323 HD12 LEU 36 HD12 LEU 36 -8.797 13.316 2.305 324 HD13 LEU 36 HD13 LEU 36 -7.282 12.498 2.694 325 HD21 LEU 36 HD21 LEU 36 -9.988 10.544 4.523 326 HD22 LEU 36 HD22 LEU 36 -8.683 10.346 3.349 327 HD23 LEU 36 HD23 LEU 36 -10.139 11.248 2.913 328 H GLU 37 H GLU 37 -4.484 11.784 5.695 329 HA GLU 37 HA GLU 37 -3.746 12.375 3.031 330 HB2 GLU 37 HB2 GLU 37 -1.941 11.826 5.431 331 HB3 GLU 37 HB3 GLU 37 -1.435 12.602 3.929 332 HG2 GLU 37 HG2 GLU 37 -3.030 14.452 4.372 333 HG3 GLU 37 HG3 GLU 37 -3.475 13.684 5.897 334 H THR 38 H THR 38 -2.728 9.604 5.076 335 HA THR 38 HA THR 38 -1.456 8.163 2.937 336 HB THR 38 HB THR 38 -2.358 7.002 5.606 337 HG1 THR 38 HG1 THR 38 0.083 7.518 5.894 338 HG21 THR 38 HG21 THR 38 -1.633 5.298 3.944 339 HG22 THR 38 HG22 THR 38 -0.468 5.432 5.263 340 HG23 THR 38 HG23 THR 38 -0.120 6.179 3.703 341 H ASP 39 H ASP 39 -4.697 8.266 4.241 342 HA ASP 39 HA ASP 39 -5.889 5.928 3.345 343 HB2 ASP 39 HB2 ASP 39 -6.941 7.680 4.780 344 HB3 ASP 39 HB3 ASP 39 -7.063 8.741 3.386 345 H LEU 40 H LEU 40 -5.867 9.068 1.590 346 HA LEU 40 HA LEU 40 -6.853 8.059 -0.886 347 HB2 LEU 40 HB2 LEU 40 -5.293 10.614 -0.338 348 HB3 LEU 40 HB3 LEU 40 -6.192 10.270 -1.811 349 HG LEU 40 HG LEU 40 -7.365 10.695 0.970 350 HD11 LEU 40 HD11 LEU 40 -8.394 12.698 -0.004 351 HD12 LEU 40 HD12 LEU 40 -7.580 12.390 -1.540 352 HD13 LEU 40 HD13 LEU 40 -6.635 12.767 -0.096 353 HD21 LEU 40 HD21 LEU 40 -9.592 10.493 -0.095 354 HD22 LEU 40 HD22 LEU 40 -8.682 8.987 -0.173 355 HD23 LEU 40 HD23 LEU 40 -8.822 10.006 -1.610 356 H LEU 41 H LEU 41 -3.587 8.520 0.373 357 HA LEU 41 HA LEU 41 -2.005 8.211 -1.918 358 HB2 LEU 41 HB2 LEU 41 -1.130 8.905 0.269 359 HB3 LEU 41 HB3 LEU 41 -1.490 7.328 0.944 360 HG LEU 41 HG LEU 41 0.255 6.304 -0.514 361 HD11 LEU 41 HD11 LEU 41 1.829 7.713 -1.767 362 HD12 LEU 41 HD12 LEU 41 0.862 9.144 -1.393 363 HD13 LEU 41 HD13 LEU 41 0.189 7.857 -2.402 364 HD21 LEU 41 HD21 LEU 41 1.292 8.620 1.163 365 HD22 LEU 41 HD22 LEU 41 2.211 7.190 0.678 366 HD23 LEU 41 HD23 LEU 41 0.840 7.023 1.773 367 H LEU 42 H LEU 42 -3.014 5.690 0.396 368 HA LEU 42 HA LEU 42 -1.954 3.499 -1.117 369 HB2 LEU 42 HB2 LEU 42 -3.768 3.620 1.312 370 HB3 LEU 42 HB3 LEU 42 -3.207 2.109 0.610 371 HG LEU 42 HG LEU 42 -1.441 4.254 1.852 372 HD11 LEU 42 HD11 LEU 42 -0.988 2.586 3.595 373 HD12 LEU 42 HD12 LEU 42 -2.132 1.466 2.844 374 HD13 LEU 42 HD13 LEU 42 -2.702 2.994 3.525 375 HD21 LEU 42 HD21 LEU 42 -0.651 1.586 0.616 376 HD22 LEU 42 HD22 LEU 42 0.424 2.666 1.506 377 HD23 LEU 42 HD23 LEU 42 -0.274 3.192 -0.020 378 H SER 43 H SER 43 -5.181 4.952 -0.797 379 HA SER 43 HA SER 43 -6.651 2.794 -1.985 380 HB2 SER 43 HB2 SER 43 -7.361 5.726 -1.613 381 HB3 SER 43 HB3 SER 43 -8.489 4.530 -2.256 382 HG SER 43 HG SER 43 -7.226 4.449 0.285 383 H GLY 44 H GLY 44 -5.337 5.830 -3.335 384 HA2 GLY 44 HA2 GLY 44 -6.192 5.460 -6.030 385 HA3 GLY 44 HA3 GLY 44 -4.864 6.483 -5.493 386 H PHE 45 H PHE 45 -3.172 4.663 -4.329 387 HA PHE 45 HA PHE 45 -1.726 3.390 -6.364 388 HB2 PHE 45 HB2 PHE 45 -0.783 4.028 -4.162 389 HB3 PHE 45 HB3 PHE 45 -1.770 2.811 -3.367 390 HD1 PHE 45 HD1 PHE 45 1.077 3.301 -5.707 391 HD2 PHE 45 HD2 PHE 45 -1.017 0.515 -3.242 392 HE1 PHE 45 HE1 PHE 45 2.889 1.675 -5.994 393 HE2 PHE 45 HE2 PHE 45 0.810 -1.105 -3.536 394 HZ PHE 45 HZ PHE 45 2.764 -0.525 -4.910 395 H ALA 46 H ALA 46 -4.214 2.154 -4.190 396 HA ALA 46 HA ALA 46 -3.880 -0.609 -4.770 397 HB1 ALA 46 HB1 ALA 46 -4.815 0.194 -2.641 398 HB2 ALA 46 HB2 ALA 46 -5.897 -0.948 -3.440 399 HB3 ALA 46 HB3 ALA 46 -6.248 0.783 -3.488 400 H ALA 47 H ALA 47 -6.225 1.818 -5.898 401 HA ALA 47 HA ALA 47 -7.882 0.100 -7.426 402 HB1 ALA 47 HB1 ALA 47 -8.577 2.339 -6.683 403 HB2 ALA 47 HB2 ALA 47 -8.762 2.172 -8.429 404 HB3 ALA 47 HB3 ALA 47 -7.398 3.081 -7.765 405 H LYS 48 H LYS 48 -4.832 1.624 -8.160 406 HA LYS 48 HA LYS 48 -4.981 1.200 -11.049 407 HB2 LYS 48 HB2 LYS 48 -4.051 3.290 -10.175 408 HB3 LYS 48 HB3 LYS 48 -2.839 2.404 -9.255 409 HG2 LYS 48 HG2 LYS 48 -1.772 1.656 -11.340 410 HG3 LYS 48 HG3 LYS 48 -3.016 2.476 -12.291 411 HD2 LYS 48 HD2 LYS 48 -1.056 3.847 -10.399 412 HD3 LYS 48 HD3 LYS 48 -0.890 3.773 -12.155 413 HE2 LYS 48 HE2 LYS 48 -3.189 5.098 -10.670 414 HE3 LYS 48 HE3 LYS 48 -1.819 5.942 -11.391 415 HZ1 LYS 48 HZ1 LYS 48 -3.712 4.251 -12.931 416 HZ2 LYS 48 HZ2 LYS 48 -2.498 5.257 -13.548 417 HZ3 LYS 48 HZ3 LYS 48 -3.844 5.929 -12.778 418 H TYR 49 H TYR 49 -2.813 0.151 -8.377 419 HA TYR 49 HA TYR 49 -1.193 -1.477 -10.125 420 HB2 TYR 49 HB2 TYR 49 -1.083 -0.869 -7.154 421 HB3 TYR 49 HB3 TYR 49 0.002 -2.042 -7.893 422 HD1 TYR 49 HD1 TYR 49 -1.111 1.546 -8.359 423 HD2 TYR 49 HD2 TYR 49 2.082 -1.282 -8.677 424 HE1 TYR 49 HE1 TYR 49 0.435 3.360 -8.968 425 HE2 TYR 49 HE2 TYR 49 3.623 0.535 -9.295 426 HH TYR 49 HH TYR 49 3.553 2.795 -10.232 427 H LEU 50 H LEU 50 -3.578 -2.223 -7.532 428 HA LEU 50 HA LEU 50 -3.157 -5.036 -7.473 429 HB2 LEU 50 HB2 LEU 50 -5.473 -3.309 -6.630 430 HB3 LEU 50 HB3 LEU 50 -5.675 -5.050 -6.667 431 HG LEU 50 HG LEU 50 -3.706 -5.233 -5.088 432 HD11 LEU 50 HD11 LEU 50 -3.037 -3.339 -3.757 433 HD12 LEU 50 HD12 LEU 50 -4.082 -2.278 -4.697 434 HD13 LEU 50 HD13 LEU 50 -2.682 -3.036 -5.460 435 HD21 LEU 50 HD21 LEU 50 -6.002 -5.480 -4.335 436 HD22 LEU 50 HD22 LEU 50 -6.121 -3.737 -4.084 437 HD23 LEU 50 HD23 LEU 50 -5.009 -4.696 -3.111 438 H LYS 51 H LYS 51 -4.894 -3.058 -9.720 439 HA LYS 51 HA LYS 51 -6.622 -4.875 -10.958 440 HB2 LYS 51 HB2 LYS 51 -6.564 -2.396 -11.346 441 HB3 LYS 51 HB3 LYS 51 -5.068 -2.587 -12.246 442 HG2 LYS 51 HG2 LYS 51 -6.856 -2.341 -13.829 443 HG3 LYS 51 HG3 LYS 51 -6.296 -4.013 -13.900 444 HD2 LYS 51 HD2 LYS 51 -8.737 -3.970 -13.990 445 HD3 LYS 51 HD3 LYS 51 -8.227 -4.704 -12.467 446 HE2 LYS 51 HE2 LYS 51 -10.129 -3.131 -12.168 447 HE3 LYS 51 HE3 LYS 51 -8.702 -2.613 -11.272 448 HZ1 LYS 51 HZ1 LYS 51 -9.507 -1.556 -13.923 449 HZ2 LYS 51 HZ2 LYS 51 -8.227 -1.007 -12.971 450 HZ3 LYS 51 HZ3 LYS 51 -9.820 -0.798 -12.448 451 H LYS 52 H LYS 52 -3.131 -4.409 -11.346 452 HA LYS 52 HA LYS 52 -3.014 -6.471 -13.474 453 HB2 LYS 52 HB2 LYS 52 -0.945 -5.292 -14.252 454 HB3 LYS 52 HB3 LYS 52 -2.422 -4.342 -14.391 455 HG2 LYS 52 HG2 LYS 52 -1.818 -3.108 -12.325 456 HG3 LYS 52 HG3 LYS 52 -0.315 -4.036 -12.220 457 HD2 LYS 52 HD2 LYS 52 0.436 -3.107 -14.359 458 HD3 LYS 52 HD3 LYS 52 -1.092 -2.245 -14.557 459 HE2 LYS 52 HE2 LYS 52 -0.568 -0.844 -12.599 460 HE3 LYS 52 HE3 LYS 52 0.928 -1.744 -12.336 461 HZ1 LYS 52 HZ1 LYS 52 0.290 -0.143 -14.746 462 HZ2 LYS 52 HZ2 LYS 52 1.731 -0.978 -14.471 463 HZ3 LYS 52 HZ3 LYS 52 1.312 0.333 -13.492 464 H MET 53 H MET 53 -2.019 -5.868 -10.233 465 HA MET 53 HA MET 53 0.389 -7.482 -10.324 466 HB2 MET 53 HB2 MET 53 -1.151 -6.223 -8.041 467 HB3 MET 53 HB3 MET 53 0.070 -7.444 -7.704 468 HG2 MET 53 HG2 MET 53 1.710 -6.025 -8.986 469 HG3 MET 53 HG3 MET 53 0.489 -4.753 -9.011 470 HE1 MET 53 HE1 MET 53 0.142 -4.037 -5.112 471 HE2 MET 53 HE2 MET 53 -0.838 -5.129 -6.090 472 HE3 MET 53 HE3 MET 53 -0.398 -3.539 -6.716 473 H ASN 54 H ASN 54 0.699 -9.546 -9.743 474 HA ASN 54 HA ASN 54 -1.462 -11.458 -9.887 475 HB2 ASN 54 HB2 ASN 54 0.962 -11.736 -10.732 476 HB3 ASN 54 HB3 ASN 54 1.438 -12.000 -9.070 477 HD21 ASN 54 HD21 ASN 54 1.779 -13.778 -11.273 478 HD22 ASN 54 HD22 ASN 54 0.910 -15.224 -10.923 479 H GLU 55 H GLU 55 -1.783 -13.113 -8.162 480 HA GLU 55 HA GLU 55 -2.703 -12.070 -5.770 481 HB2 GLU 55 HB2 GLU 55 -3.487 -14.225 -6.607 482 HB3 GLU 55 HB3 GLU 55 -1.890 -14.941 -6.409 483 HG2 GLU 55 HG2 GLU 55 -2.048 -14.815 -4.013 484 HG3 GLU 55 HG3 GLU 55 -3.522 -13.859 -4.108 485 H GLU 56 H GLU 56 0.405 -13.660 -6.392 486 HA GLU 56 HA GLU 56 1.532 -13.780 -3.848 487 HB2 GLU 56 HB2 GLU 56 3.726 -13.823 -5.051 488 HB3 GLU 56 HB3 GLU 56 2.525 -14.892 -5.765 489 HG2 GLU 56 HG2 GLU 56 2.079 -13.183 -7.526 490 HG3 GLU 56 HG3 GLU 56 3.338 -12.166 -6.830 491 H GLU 57 H GLU 57 1.617 -11.033 -6.144 492 HA GLU 57 HA GLU 57 3.222 -9.300 -4.495 493 HB2 GLU 57 HB2 GLU 57 1.432 -8.612 -6.865 494 HB3 GLU 57 HB3 GLU 57 2.691 -7.578 -6.182 495 HG2 GLU 57 HG2 GLU 57 4.403 -9.217 -6.845 496 HG3 GLU 57 HG3 GLU 57 3.153 -10.271 -7.506 497 H LEU 58 H LEU 58 -0.243 -9.676 -5.106 498 HA LEU 58 HA LEU 58 -1.237 -7.665 -3.403 499 HB2 LEU 58 HB2 LEU 58 -2.536 -10.358 -3.966 500 HB3 LEU 58 HB3 LEU 58 -3.344 -8.911 -3.382 501 HG LEU 58 HG LEU 58 -2.235 -9.438 -6.162 502 HD11 LEU 58 HD11 LEU 58 -4.505 -8.966 -6.913 503 HD12 LEU 58 HD12 LEU 58 -5.017 -8.648 -5.251 504 HD13 LEU 58 HD13 LEU 58 -4.495 -10.267 -5.723 505 HD21 LEU 58 HD21 LEU 58 -1.520 -7.191 -5.586 506 HD22 LEU 58 HD22 LEU 58 -3.159 -6.762 -5.088 507 HD23 LEU 58 HD23 LEU 58 -2.816 -7.129 -6.780 508 H GLU 59 H GLU 59 -0.042 -10.915 -2.604 509 HA GLU 59 HA GLU 59 -0.877 -10.972 0.124 510 HB2 GLU 59 HB2 GLU 59 1.468 -12.397 -1.209 511 HB3 GLU 59 HB3 GLU 59 0.862 -12.754 0.404 512 HG2 GLU 59 HG2 GLU 59 -0.810 -13.050 -2.113 513 HG3 GLU 59 HG3 GLU 59 0.163 -14.352 -1.438 514 H GLU 60 H GLU 60 2.056 -9.841 -1.505 515 HA GLU 60 HA GLU 60 3.454 -8.838 0.754 516 HB2 GLU 60 HB2 GLU 60 4.619 -9.156 -1.357 517 HB3 GLU 60 HB3 GLU 60 3.532 -8.057 -2.188 518 HG2 GLU 60 HG2 GLU 60 5.549 -6.862 -1.926 519 HG3 GLU 60 HG3 GLU 60 4.457 -6.195 -0.728 520 H TYR 61 H TYR 61 0.963 -7.376 -1.362 521 HA TYR 61 HA TYR 61 1.064 -4.750 -0.306 522 HB2 TYR 61 HB2 TYR 61 -0.068 -5.347 -2.465 523 HB3 TYR 61 HB3 TYR 61 -1.373 -6.098 -1.547 524 HD1 TYR 61 HD2 TYR 61 0.473 -2.847 -1.833 525 HD2 TYR 61 HD1 TYR 61 -3.261 -4.737 -0.962 526 HE1 TYR 61 HE2 TYR 61 -0.581 -0.654 -1.593 527 HE2 TYR 61 HE1 TYR 61 -4.316 -2.525 -0.710 528 HH TYR 61 HH TYR 61 -3.595 -0.201 -0.201 529 H ASP 62 H ASP 62 -0.669 -7.624 0.757 530 HA ASP 62 HA ASP 62 -2.311 -6.533 2.762 531 HB2 ASP 62 HB2 ASP 62 -2.424 -8.886 1.917 532 HB3 ASP 62 HB3 ASP 62 -0.912 -9.243 2.742 533 H SER 63 H SER 63 1.105 -7.501 2.821 534 HA SER 63 HA SER 63 1.736 -7.140 5.538 535 HB2 SER 63 HB2 SER 63 3.627 -6.525 3.227 536 HB3 SER 63 HB3 SER 63 4.062 -7.045 4.857 537 HG SER 63 HG SER 63 3.533 -8.518 2.709 538 H LEU 64 H LEU 64 1.606 -4.795 2.868 539 HA LEU 64 HA LEU 64 2.681 -2.549 4.240 540 HB2 LEU 64 HB2 LEU 64 2.533 -2.815 1.752 541 HB3 LEU 64 HB3 LEU 64 0.794 -2.611 1.858 542 HG LEU 64 HG LEU 64 1.120 -0.290 2.691 543 HD11 LEU 64 HD11 LEU 64 4.085 -0.775 2.243 544 HD12 LEU 64 HD12 LEU 64 3.286 -0.519 3.798 545 HD13 LEU 64 HD13 LEU 64 3.338 0.784 2.613 546 HD21 LEU 64 HD21 LEU 64 0.786 -0.648 0.293 547 HD22 LEU 64 HD22 LEU 64 2.523 -0.852 0.054 548 HD23 LEU 64 HD23 LEU 64 1.879 0.711 0.564 549 H LEU 65 H LEU 65 -0.597 -3.817 3.875 550 HA LEU 65 HA LEU 65 -1.969 -1.681 5.229 551 HB2 LEU 65 HB2 LEU 65 -2.849 -4.559 4.785 552 HB3 LEU 65 HB3 LEU 65 -3.898 -3.216 5.239 553 HG LEU 65 HG LEU 65 -2.413 -3.499 2.590 554 HD11 LEU 65 HD11 LEU 65 -5.372 -3.756 3.180 555 HD12 LEU 65 HD12 LEU 65 -4.266 -5.071 2.775 556 HD13 LEU 65 HD13 LEU 65 -4.616 -3.819 1.586 557 HD21 LEU 65 HD21 LEU 65 -4.330 -1.312 3.485 558 HD22 LEU 65 HD22 LEU 65 -3.678 -1.507 1.854 559 HD23 LEU 65 HD23 LEU 65 -2.596 -1.137 3.193 560 H ASN 66 H ASN 66 -0.209 -4.490 6.291 561 HA ASN 66 HA ASN 66 -1.199 -4.536 9.015 562 HB2 ASN 66 HB2 ASN 66 1.237 -5.861 7.743 563 HB3 ASN 66 HB3 ASN 66 0.681 -6.161 9.389 564 HD21 ASN 66 HD21 ASN 66 0.922 -7.982 7.059 565 HD22 ASN 66 HD22 ASN 66 -0.647 -8.670 6.851 566 H GLU 67 H GLU 67 0.890 -2.432 7.386 567 HA GLU 67 HA GLU 67 2.584 -1.750 9.682 568 HB2 GLU 67 HB2 GLU 67 2.389 -0.334 6.985 569 HB3 GLU 67 HB3 GLU 67 3.673 -0.158 8.181 570 HG2 GLU 67 HG2 GLU 67 3.070 -2.641 6.546 571 HG3 GLU 67 HG3 GLU 67 4.372 -1.500 6.244 572 H LEU 68 H LEU 68 2.774 0.831 9.919 573 HA LEU 68 HA LEU 68 0.148 1.726 10.901 574 HB2 LEU 68 HB2 LEU 68 2.917 2.901 11.367 575 HB3 LEU 68 HB3 LEU 68 1.441 3.374 12.205 576 HG LEU 68 HG LEU 68 2.712 0.608 12.382 577 HD11 LEU 68 HD11 LEU 68 2.820 2.870 14.401 578 HD12 LEU 68 HD12 LEU 68 4.163 2.288 13.414 579 HD13 LEU 68 HD13 LEU 68 3.447 1.234 14.633 580 HD21 LEU 68 HD21 LEU 68 0.421 1.823 13.973 581 HD22 LEU 68 HD22 LEU 68 1.143 0.234 14.247 582 HD23 LEU 68 HD23 LEU 68 0.283 0.560 12.745 583 H ASP 69 H ASP 69 -0.891 3.568 10.195 584 HA ASP 69 HA ASP 69 -0.750 4.393 7.586 585 HB2 ASP 69 HB2 ASP 69 -2.168 6.403 8.318 586 HB3 ASP 69 HB3 ASP 69 -2.767 4.810 8.755 587 H TRP 70 H TRP 70 0.496 6.430 10.318 588 HA TRP 70 HA TRP 70 1.653 8.438 8.730 589 HB2 TRP 70 HB2 TRP 70 2.191 7.544 11.570 590 HB3 TRP 70 HB3 TRP 70 3.209 8.777 10.837 591 HD1 TRP 70 HD1 TRP 70 0.112 8.516 12.807 592 HE1 TRP 70 HE1 TRP 70 -1.196 10.725 12.725 593 HE3 TRP 70 HE3 TRP 70 2.534 10.775 8.892 594 HZ2 TRP 70 HZ2 TRP 70 -1.213 13.110 11.212 595 HZ3 TRP 70 HZ3 TRP 70 1.801 13.014 8.179 596 HH2 TRP 70 HH2 TRP 70 -0.044 14.155 9.310 597 H ASP 71 H ASP 71 3.111 5.397 9.904 598 HA ASP 71 HA ASP 71 5.782 5.899 9.146 599 HB2 ASP 71 HB2 ASP 71 4.247 3.288 9.500 600 HB3 ASP 71 HB3 ASP 71 5.987 3.358 9.224 601 H ILE 72 H ILE 72 3.213 4.137 7.411 602 HA ILE 72 HA ILE 72 4.464 3.510 4.999 603 HB ILE 72 HB ILE 72 1.560 4.352 5.428 604 HG12 ILE 72 HG12 ILE 72 2.671 1.510 5.364 605 HG13 ILE 72 HG13 ILE 72 2.376 2.401 6.852 606 HG21 ILE 72 HG21 ILE 72 2.751 2.766 3.119 607 HG22 ILE 72 HG22 ILE 72 2.109 4.408 3.035 608 HG23 ILE 72 HG23 ILE 72 1.029 3.058 3.379 609 HD11 ILE 72 HD11 ILE 72 0.574 0.852 6.373 610 HD12 ILE 72 HD12 ILE 72 0.284 1.629 4.816 611 HD13 ILE 72 HD13 ILE 72 -0.010 2.516 6.316 612 H TYR 73 H TYR 73 2.804 6.485 5.963 613 HA TYR 73 HA TYR 73 2.846 7.941 3.563 614 HB2 TYR 73 HB2 TYR 73 1.486 8.486 5.580 615 HB3 TYR 73 HB3 TYR 73 2.943 8.967 6.434 616 HD1 TYR 73 HD2 TYR 73 0.860 9.806 3.429 617 HD2 TYR 73 HD1 TYR 73 3.657 11.250 6.335 618 HE1 TYR 73 HE2 TYR 73 0.530 12.099 2.616 619 HE2 TYR 73 HE1 TYR 73 3.315 13.542 5.520 620 HH TYR 73 HH TYR 73 0.766 14.472 3.693 621 H TYR 74 H TYR 74 5.210 7.829 6.241 622 HA TYR 74 HA TYR 74 6.966 9.820 5.092 623 HB2 TYR 74 HB2 TYR 74 7.285 7.985 7.499 624 HB3 TYR 74 HB3 TYR 74 8.476 9.197 7.032 625 HD1 TYR 74 HD1 TYR 74 7.304 11.642 6.556 626 HD2 TYR 74 HD2 TYR 74 5.839 8.666 9.244 627 HE1 TYR 74 HE1 TYR 74 6.134 13.379 7.833 628 HE2 TYR 74 HE2 TYR 74 4.657 10.399 10.514 629 HH TYR 74 HH TYR 74 4.133 13.499 9.385 630 H TRP 75 H TRP 75 6.788 6.316 4.896 631 HA TRP 75 HA TRP 75 9.455 5.955 3.827 632 HB2 TRP 75 HB2 TRP 75 7.041 4.105 3.649 633 HB3 TRP 75 HB3 TRP 75 8.696 3.667 3.241 634 HD1 TRP 75 HD1 TRP 75 9.902 5.145 6.009 635 HE1 TRP 75 HE1 TRP 75 9.652 3.836 8.199 636 HE3 TRP 75 HE3 TRP 75 6.183 1.926 4.615 637 HZ2 TRP 75 HZ2 TRP 75 8.104 1.720 9.215 638 HZ3 TRP 75 HZ3 TRP 75 5.372 0.284 6.258 639 HH2 TRP 75 HH2 TRP 75 6.313 0.184 8.511 640 H ALA 76 H ALA 76 6.202 6.312 2.473 641 HA ALA 76 HA ALA 76 6.829 5.962 -0.274 642 HB1 ALA 76 HB1 ALA 76 4.544 5.769 0.632 643 HB2 ALA 76 HB2 ALA 76 4.611 6.930 -0.694 644 HB3 ALA 76 HB3 ALA 76 4.526 7.499 0.977 645 H THR 77 H THR 77 6.388 8.939 1.682 646 HA THR 77 HA THR 77 7.131 10.764 -0.423 647 HB THR 77 HB THR 77 7.066 12.532 1.326 648 HG1 THR 77 HG1 THR 77 6.143 10.914 3.352 649 HG21 THR 77 HG21 THR 77 4.690 12.312 1.979 650 HG22 THR 77 HG22 THR 77 4.708 10.611 1.513 651 HG23 THR 77 HG23 THR 77 4.925 11.864 0.286 652 H LYS 78 H LYS 78 9.015 8.701 1.371 653 HA LYS 78 HA LYS 78 11.206 8.350 1.647 654 HB2 LYS 78 HB2 LYS 78 11.200 9.120 -0.812 655 HB3 LYS 78 HB3 LYS 78 11.761 10.683 -0.229 656 HG2 LYS 78 HG2 LYS 78 13.754 9.544 0.769 657 HG3 LYS 78 HG3 LYS 78 13.209 8.023 0.050 658 HD2 LYS 78 HD2 LYS 78 13.459 8.988 -2.203 659 HD3 LYS 78 HD3 LYS 78 13.913 10.548 -1.506 660 HE2 LYS 78 HE2 LYS 78 15.475 7.953 -1.251 661 HE3 LYS 78 HE3 LYS 78 15.902 9.330 -2.268 662 HZ1 LYS 78 HZ1 LYS 78 15.776 9.309 0.702 663 HZ2 LYS 78 HZ2 LYS 78 16.098 10.675 -0.242 664 HZ3 LYS 78 HZ3 LYS 78 17.171 9.373 -0.248 665 H ASN 79 H ASN 79 9.804 10.186 3.431 666 HA ASN 79 HA ASN 79 11.526 12.230 4.399 667 HB2 ASN 79 HB2 ASN 79 9.151 12.214 4.967 668 HB3 ASN 79 HB3 ASN 79 9.302 10.647 5.747 669 HD21 ASN 79 HD21 ASN 79 9.815 14.056 6.074 670 HD22 ASN 79 HD22 ASN 79 10.194 14.044 7.758 671 H PHE 80 H PHE 80 10.726 9.161 6.072 672 HA PHE 80 HA PHE 80 11.834 7.678 7.339 673 HB2 PHE 80 HB2 PHE 80 14.345 8.636 5.916 674 HB3 PHE 80 HB3 PHE 80 14.228 7.173 6.890 675 HD1 PHE 80 HD1 PHE 80 11.981 5.704 6.128 676 HD2 PHE 80 HD2 PHE 80 14.369 8.196 3.604 677 HE1 PHE 80 HE1 PHE 80 11.263 4.423 4.159 678 HE2 PHE 80 HE2 PHE 80 13.637 6.898 1.645 679 HZ PHE 80 HZ PHE 80 12.083 5.015 1.923 680 H LYS 81 H LYS 81 12.557 10.969 7.778 681 HA LYS 81 HA LYS 81 14.421 11.045 9.864 682 HB2 LYS 81 HB2 LYS 81 13.853 13.078 8.712 683 HB3 LYS 81 HB3 LYS 81 12.134 12.868 9.020 684 HG2 LYS 81 HG2 LYS 81 12.579 13.301 11.457 685 HG3 LYS 81 HG3 LYS 81 14.263 13.647 11.046 686 HD2 LYS 81 HD2 LYS 81 13.572 15.541 9.655 687 HD3 LYS 81 HD3 LYS 81 11.869 15.141 9.897 688 HE2 LYS 81 HE2 LYS 81 12.522 17.035 11.313 689 HE3 LYS 81 HE3 LYS 81 12.091 15.645 12.307 690 HZ1 LYS 81 HZ1 LYS 81 14.861 16.479 11.631 691 HZ2 LYS 81 HZ2 LYS 81 14.427 15.184 12.625 692 HZ3 LYS 81 HZ3 LYS 81 14.077 16.763 13.101 693 H THR 82 H THR 82 10.861 11.052 9.999 694 HA THR 82 HA THR 82 10.755 10.884 12.911 695 HB THR 82 HB THR 82 8.355 11.118 12.658 696 HG1 THR 82 HG1 THR 82 7.570 9.928 11.067 697 HG21 THR 82 HG21 THR 82 9.667 12.722 10.436 698 HG22 THR 82 HG22 THR 82 9.578 13.209 12.133 699 HG23 THR 82 HG23 THR 82 8.102 13.076 11.172 700 H SER 83 H SER 83 10.176 8.842 10.115 701 HA SER 83 HA SER 83 9.729 6.432 11.777 702 HB2 SER 83 HB2 SER 83 8.153 7.430 9.375 703 HB3 SER 83 HB3 SER 83 8.089 5.735 9.894 704 HG SER 83 HG SER 83 6.562 6.473 11.143 705 HA PRO 84 HA PRO 84 13.370 5.531 9.001 706 HB2 PRO 84 HB2 PRO 84 13.838 3.487 11.160 707 HB3 PRO 84 HB3 PRO 84 14.966 4.647 10.441 708 HG2 PRO 84 HG2 PRO 84 14.013 5.063 12.900 709 HG3 PRO 84 HG3 PRO 84 14.196 6.426 11.772 710 HD2 PRO 84 HD2 PRO 84 11.683 4.890 12.493 711 HD3 PRO 84 HD3 PRO 84 11.929 6.649 12.364 712 H LEU 85 H LEU 85 14.066 3.490 7.951 713 HA LEU 85 HA LEU 85 11.664 2.108 7.016 714 HB2 LEU 85 HB2 LEU 85 13.223 3.350 5.477 715 HB3 LEU 85 HB3 LEU 85 14.461 2.155 5.827 716 HG LEU 85 HG LEU 85 13.029 0.381 4.830 717 HD11 LEU 85 HD11 LEU 85 10.982 0.954 3.601 718 HD12 LEU 85 HD12 LEU 85 11.106 2.630 4.134 719 HD13 LEU 85 HD13 LEU 85 10.818 1.347 5.311 720 HD21 LEU 85 HD21 LEU 85 13.249 1.079 2.478 721 HD22 LEU 85 HD22 LEU 85 14.682 1.501 3.415 722 HD23 LEU 85 HD23 LEU 85 13.505 2.750 2.991 723 HA PRO 86 HA PRO 86 13.024 -1.887 8.918 724 HB2 PRO 86 HB2 PRO 86 10.663 -2.912 7.371 725 HB3 PRO 86 HB3 PRO 86 11.028 -3.063 9.096 726 HG2 PRO 86 HG2 PRO 86 9.095 -1.411 8.256 727 HG3 PRO 86 HG3 PRO 86 10.163 -0.938 9.599 728 HD2 PRO 86 HD2 PRO 86 10.323 -0.138 6.680 729 HD3 PRO 86 HD3 PRO 86 10.433 0.893 8.127 730 H ASP 87 H ASP 87 13.982 -3.786 8.083 731 HA ASP 87 HA ASP 87 15.378 -3.572 5.645 732 HB2 ASP 87 HB2 ASP 87 14.970 -5.990 7.456 733 HB3 ASP 87 HB3 ASP 87 16.107 -5.957 6.110 734 H LYS 88 H LYS 88 12.453 -5.477 6.433 735 HA LYS 88 HA LYS 88 12.326 -6.857 3.938 736 HB2 LYS 88 HB2 LYS 88 10.155 -7.680 4.637 737 HB3 LYS 88 HB3 LYS 88 11.275 -7.747 5.975 738 HG2 LYS 88 HG2 LYS 88 9.440 -6.992 7.111 739 HG3 LYS 88 HG3 LYS 88 10.090 -5.423 6.632 740 HD2 LYS 88 HD2 LYS 88 8.468 -5.182 4.875 741 HD3 LYS 88 HD3 LYS 88 8.018 -6.886 4.950 742 HE2 LYS 88 HE2 LYS 88 6.272 -5.482 5.949 743 HE3 LYS 88 HE3 LYS 88 6.998 -6.530 7.168 744 HZ1 LYS 88 HZ1 LYS 88 6.643 -4.252 7.945 745 HZ2 LYS 88 HZ2 LYS 88 7.699 -3.676 6.757 746 HZ3 LYS 88 HZ3 LYS 88 8.276 -4.689 7.982 747 H TRP 89 H TRP 89 11.617 -3.593 4.625 748 HA TRP 89 HA TRP 89 10.035 -3.317 2.146 749 HB2 TRP 89 HB2 TRP 89 10.622 -1.320 4.354 750 HB3 TRP 89 HB3 TRP 89 9.868 -0.868 2.832 751 HD1 TRP 89 HD1 TRP 89 8.743 -1.256 6.102 752 HE1 TRP 89 HE1 TRP 89 6.356 -2.162 6.276 753 HE3 TRP 89 HE3 TRP 89 8.221 -3.196 1.384 754 HZ2 TRP 89 HZ2 TRP 89 4.505 -3.549 4.675 755 HZ3 TRP 89 HZ3 TRP 89 6.108 -4.301 0.786 756 HH2 TRP 89 HH2 TRP 89 4.283 -4.470 2.405 757 H ALA 90 H ALA 90 13.201 -2.518 3.508 758 HA ALA 90 HA ALA 90 14.167 -0.648 1.689 759 HB1 ALA 90 HB1 ALA 90 15.758 -2.880 2.994 760 HB2 ALA 90 HB2 ALA 90 15.373 -1.323 3.737 761 HB3 ALA 90 HB3 ALA 90 16.423 -1.388 2.318 762 H ASN 91 H ASN 91 14.148 -4.187 1.377 763 HA ASN 91 HA ASN 91 15.159 -4.021 -1.404 764 HB2 ASN 91 HB2 ASN 91 15.047 -6.421 0.472 765 HB3 ASN 91 HB3 ASN 91 15.788 -6.397 -1.130 766 HD21 ASN 91 HD21 ASN 91 17.650 -5.003 -1.422 767 HD22 ASN 91 HD22 ASN 91 18.683 -4.650 -0.091 768 H SER 92 H SER 92 12.280 -3.696 -0.278 769 HA SER 92 HA SER 92 10.820 -5.768 -1.781 770 HB2 SER 92 HB2 SER 92 9.883 -5.141 0.401 771 HB3 SER 92 HB3 SER 92 9.795 -3.452 -0.072 772 HG SER 92 HG SER 92 7.957 -5.312 -0.399 773 H LYS 93 H LYS 93 9.948 -5.438 -3.768 774 HA LYS 93 HA LYS 93 10.423 -3.052 -5.280 775 HB2 LYS 93 HB2 LYS 93 10.261 -5.292 -6.351 776 HB3 LYS 93 HB3 LYS 93 8.559 -5.380 -5.908 777 HG2 LYS 93 HG2 LYS 93 8.118 -3.372 -7.342 778 HG3 LYS 93 HG3 LYS 93 9.814 -3.377 -7.823 779 HD2 LYS 93 HD2 LYS 93 8.456 -4.415 -9.559 780 HD3 LYS 93 HD3 LYS 93 9.512 -5.626 -8.828 781 HE2 LYS 93 HE2 LYS 93 7.628 -6.473 -7.481 782 HE3 LYS 93 HE3 LYS 93 6.566 -5.235 -8.159 783 HZ1 LYS 93 HZ1 LYS 93 6.268 -7.331 -9.256 784 HZ2 LYS 93 HZ2 LYS 93 7.906 -7.406 -9.664 785 HZ3 LYS 93 HZ3 LYS 93 6.919 -6.213 -10.342 786 H LEU 94 H LEU 94 7.613 -4.337 -3.499 787 HA LEU 94 HA LEU 94 5.538 -2.720 -4.427 788 HB2 LEU 94 HB2 LEU 94 5.200 -4.630 -2.894 789 HB3 LEU 94 HB3 LEU 94 5.990 -3.745 -1.598 790 HG LEU 94 HG LEU 94 4.108 -1.997 -1.808 791 HD11 LEU 94 HD11 LEU 94 3.278 -2.583 -4.026 792 HD12 LEU 94 HD12 LEU 94 1.995 -2.678 -2.824 793 HD13 LEU 94 HD13 LEU 94 2.741 -4.159 -3.432 794 HD21 LEU 94 HD21 LEU 94 4.192 -3.567 0.055 795 HD22 LEU 94 HD22 LEU 94 3.317 -4.772 -0.893 796 HD23 LEU 94 HD23 LEU 94 2.527 -3.261 -0.438 797 H LEU 95 H LEU 95 7.812 -2.077 -1.747 798 HA LEU 95 HA LEU 95 6.860 0.447 -0.950 799 HB2 LEU 95 HB2 LEU 95 8.486 -0.839 0.387 800 HB3 LEU 95 HB3 LEU 95 9.704 -0.625 -0.863 801 HG LEU 95 HG LEU 95 9.404 1.936 -0.469 802 HD11 LEU 95 HD11 LEU 95 8.122 0.985 2.103 803 HD12 LEU 95 HD12 LEU 95 7.325 1.860 0.791 804 HD13 LEU 95 HD13 LEU 95 8.602 2.642 1.718 805 HD21 LEU 95 HD21 LEU 95 10.689 0.300 1.723 806 HD22 LEU 95 HD22 LEU 95 11.019 1.992 1.345 807 HD23 LEU 95 HD23 LEU 95 11.424 0.735 0.180 808 H LYS 96 H LYS 96 9.297 -0.434 -3.393 809 HA LYS 96 HA LYS 96 10.083 2.197 -4.132 810 HB2 LYS 96 HB2 LYS 96 10.239 -0.398 -5.726 811 HB3 LYS 96 HB3 LYS 96 11.039 1.110 -6.184 812 HG2 LYS 96 HG2 LYS 96 12.299 1.020 -4.006 813 HG3 LYS 96 HG3 LYS 96 11.592 -0.575 -3.719 814 HD2 LYS 96 HD2 LYS 96 12.694 -1.464 -5.720 815 HD3 LYS 96 HD3 LYS 96 13.301 0.143 -6.139 816 HE2 LYS 96 HE2 LYS 96 14.597 0.125 -3.963 817 HE3 LYS 96 HE3 LYS 96 14.107 -1.559 -3.752 818 HZ1 LYS 96 HZ1 LYS 96 15.234 -2.112 -5.792 819 HZ2 LYS 96 HZ2 LYS 96 16.304 -1.330 -4.744 820 HZ3 LYS 96 HZ3 LYS 96 15.643 -0.497 -6.054 821 H GLN 97 H GLN 97 7.490 0.088 -5.279 822 HA GLN 97 HA GLN 97 6.616 1.717 -7.471 823 HB2 GLN 97 HB2 GLN 97 5.085 -0.397 -5.888 824 HB3 GLN 97 HB3 GLN 97 4.554 0.307 -7.412 825 HG2 GLN 97 HG2 GLN 97 7.066 -1.355 -7.057 826 HG3 GLN 97 HG3 GLN 97 5.522 -1.981 -7.623 827 HE21 GLN 97 HE21 GLN 97 6.347 -2.650 -9.604 828 HE22 GLN 97 HE22 GLN 97 6.833 -1.551 -10.839 829 H LEU 98 H LEU 98 5.818 1.523 -4.042 830 HA LEU 98 HA LEU 98 3.627 3.356 -4.027 831 HB2 LEU 98 HB2 LEU 98 4.083 1.669 -2.236 832 HB3 LEU 98 HB3 LEU 98 5.518 2.569 -1.772 833 HG LEU 98 HG LEU 98 4.048 4.518 -1.149 834 HD11 LEU 98 HD11 LEU 98 1.623 4.188 -0.896 835 HD12 LEU 98 HD12 LEU 98 1.750 2.607 -1.674 836 HD13 LEU 98 HD13 LEU 98 2.126 4.075 -2.583 837 HD21 LEU 98 HD21 LEU 98 3.414 1.930 0.313 838 HD22 LEU 98 HD22 LEU 98 3.228 3.564 0.958 839 HD23 LEU 98 HD23 LEU 98 4.833 2.950 0.572 840 H GLN 99 H GLN 99 7.127 3.695 -3.654 841 HA GLN 99 HA GLN 99 7.224 6.499 -3.134 842 HB2 GLN 99 HB2 GLN 99 9.283 4.509 -4.159 843 HB3 GLN 99 HB3 GLN 99 9.668 6.217 -3.948 844 HG2 GLN 99 HG2 GLN 99 9.187 6.072 -1.557 845 HG3 GLN 99 HG3 GLN 99 8.661 4.399 -1.736 846 HE21 GLN 99 HE21 GLN 99 10.230 3.840 -0.125 847 HE22 GLN 99 HE22 GLN 99 11.899 3.689 -0.535 848 H GLU 100 H GLU 100 7.399 4.583 -6.149 849 HA GLU 100 HA GLU 100 7.689 6.635 -8.043 850 HB2 GLU 100 HB2 GLU 100 6.244 3.958 -8.206 851 HB3 GLU 100 HB3 GLU 100 6.341 5.042 -9.590 852 HG2 GLU 100 HG2 GLU 100 8.754 3.908 -8.145 853 HG3 GLU 100 HG3 GLU 100 8.030 3.198 -9.586 854 H PHE 101 H PHE 101 4.685 5.207 -6.742 855 HA PHE 101 HA PHE 101 2.881 6.836 -8.186 856 HB2 PHE 101 HB2 PHE 101 2.223 4.664 -7.186 857 HB3 PHE 101 HB3 PHE 101 2.413 5.339 -5.570 858 HD1 PHE 101 HD2 PHE 101 0.450 5.709 -8.738 859 HD2 PHE 101 HD1 PHE 101 0.570 6.496 -4.526 860 HE1 PHE 101 HE2 PHE 101 -1.864 6.538 -8.819 861 HE2 PHE 101 HE1 PHE 101 -1.746 7.326 -4.625 862 HZ PHE 101 HZ PHE 101 -2.960 7.349 -6.769 863 H SER 102 H SER 102 4.183 7.140 -4.870 864 HA SER 102 HA SER 102 2.493 9.186 -3.936 865 HB2 SER 102 HB2 SER 102 4.184 9.541 -2.147 866 HB3 SER 102 HB3 SER 102 3.847 7.829 -2.408 867 HG SER 102 HG SER 102 5.885 7.608 -2.761 868 H GLU 103 H GLU 103 5.665 9.453 -5.590 869 HA GLU 103 HA GLU 103 5.657 12.358 -5.496 870 HB2 GLU 103 HB2 GLU 103 7.677 12.252 -6.873 871 HB3 GLU 103 HB3 GLU 103 7.799 11.147 -5.509 872 HG2 GLU 103 HG2 GLU 103 7.379 9.236 -6.953 873 HG3 GLU 103 HG3 GLU 103 7.062 10.292 -8.328 874 H ASN 104 H ASN 104 4.603 9.881 -7.784 875 HA ASN 104 HA ASN 104 4.059 11.863 -9.913 876 HB2 ASN 104 HB2 ASN 104 4.102 8.812 -9.978 877 HB3 ASN 104 HB3 ASN 104 3.752 9.836 -11.370 878 HD21 ASN 104 HD21 ASN 104 5.978 7.887 -10.734 879 HD22 ASN 104 HD22 ASN 104 7.428 8.775 -11.042 880 H LYS 105 H LYS 105 2.355 11.562 -7.442 881 HA LYS 105 HA LYS 105 -0.194 10.533 -8.254 882 HB2 LYS 105 HB2 LYS 105 0.570 12.517 -6.080 883 HB3 LYS 105 HB3 LYS 105 -1.095 12.035 -6.374 884 HG2 LYS 105 HG2 LYS 105 -0.414 9.656 -5.932 885 HG3 LYS 105 HG3 LYS 105 1.182 10.251 -5.465 886 HD2 LYS 105 HD2 LYS 105 -1.449 11.035 -4.140 887 HD3 LYS 105 HD3 LYS 105 -0.315 9.841 -3.506 888 HE2 LYS 105 HE2 LYS 105 1.371 11.547 -3.132 889 HE3 LYS 105 HE3 LYS 105 0.404 12.757 -3.979 890 HZ1 LYS 105 HZ1 LYS 105 -1.267 12.561 -2.249 891 HZ2 LYS 105 HZ2 LYS 105 0.229 13.021 -1.614 892 HZ3 LYS 105 HZ3 LYS 105 -0.311 11.432 -1.433 893 H GLU 106 H GLU 106 -0.539 11.335 -10.327 894 HA GLU 106 HA GLU 106 -1.115 14.230 -10.626 895 HB2 GLU 106 HB2 GLU 106 -0.448 12.153 -12.758 896 HB3 GLU 106 HB3 GLU 106 -0.739 13.871 -13.052 897 HG2 GLU 106 HG2 GLU 106 1.224 14.410 -11.595 898 HG3 GLU 106 HG3 GLU 106 1.537 12.684 -11.418 899 H LYS 107 H LYS 107 -2.851 12.192 -9.438 900 HA LYS 107 HA LYS 107 -5.000 11.694 -9.193 901 HB2 LYS 107 HB2 LYS 107 -4.944 14.293 -9.568 902 HB3 LYS 107 HB3 LYS 107 -5.761 13.926 -11.084 903 HG2 LYS 107 HG2 LYS 107 -7.635 12.940 -9.899 904 HG3 LYS 107 HG3 LYS 107 -6.775 13.062 -8.357 905 HD2 LYS 107 HD2 LYS 107 -6.789 15.568 -8.622 906 HD3 LYS 107 HD3 LYS 107 -7.789 15.374 -10.066 907 HE2 LYS 107 HE2 LYS 107 -9.183 15.918 -8.111 908 HE3 LYS 107 HE3 LYS 107 -9.546 14.293 -8.690 909 HZ1 LYS 107 HZ1 LYS 107 -7.810 14.964 -6.371 910 HZ2 LYS 107 HZ2 LYS 107 -8.135 13.401 -6.926 911 HZ3 LYS 107 HZ3 LYS 107 -9.382 14.348 -6.292 912 H GLU 108 H GLU 108 -3.584 10.581 -11.677 913 HA GLU 108 HA GLU 108 -5.707 9.877 -13.488 914 HB2 GLU 108 HB2 GLU 108 -4.032 8.231 -14.411 915 HB3 GLU 108 HB3 GLU 108 -3.487 9.902 -14.403 916 HG2 GLU 108 HG2 GLU 108 -2.059 9.489 -12.473 917 HG3 GLU 108 HG3 GLU 108 -2.702 7.855 -12.301 918 H ILE 109 H ILE 109 -7.366 9.007 -12.242 919 HA ILE 109 HA ILE 109 -6.864 6.592 -10.594 920 HB ILE 109 HB ILE 109 -9.187 6.975 -9.715 921 HG12 ILE 109 HG12 ILE 109 -9.105 9.553 -11.378 922 HG13 ILE 109 HG13 ILE 109 -10.146 8.171 -11.701 923 HG21 ILE 109 HG21 ILE 109 -8.630 8.947 -8.322 924 HG22 ILE 109 HG22 ILE 109 -7.322 9.365 -9.431 925 HG23 ILE 109 HG23 ILE 109 -7.241 7.868 -8.502 926 HD11 ILE 109 HD11 ILE 109 -10.262 9.945 -9.262 927 HD12 ILE 109 HD12 ILE 109 -11.315 8.563 -9.583 928 HD13 ILE 109 HD13 ILE 109 -11.366 9.974 -10.637 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -18.132 8.904 -1.174 2 H2 MET 1 H2 MET 1 -17.588 10.356 -1.849 3 H3 MET 1 H3 MET 1 -17.401 8.908 -2.703 4 HA MET 1 HA MET 1 -19.212 10.224 -3.600 5 HB2 MET 1 HB2 MET 1 -19.178 7.595 -3.377 6 HB3 MET 1 HB3 MET 1 -20.440 7.832 -2.179 7 HG2 MET 1 HG2 MET 1 -21.441 7.251 -4.289 8 HG3 MET 1 HG3 MET 1 -21.835 8.929 -3.936 9 HE1 MET 1 HE1 MET 1 -21.749 10.681 -5.871 10 HE2 MET 1 HE2 MET 1 -20.287 10.893 -6.834 11 HE3 MET 1 HE3 MET 1 -20.206 10.995 -5.075 12 H GLY 2 H GLY 2 -21.879 10.313 -2.966 13 HA2 GLY 2 HA2 GLY 2 -22.208 12.431 -1.193 14 HA3 GLY 2 HA3 GLY 2 -23.498 11.374 -1.735 15 H HIS 3 H HIS 3 -22.669 8.957 -0.531 16 HA HIS 3 HA HIS 3 -22.668 9.540 2.386 17 HB2 HIS 3 HB2 HIS 3 -24.059 7.250 0.925 18 HB3 HIS 3 HB3 HIS 3 -23.971 7.412 2.677 19 HD1 HIS 3 HD1 HIS 3 -25.094 9.775 3.578 20 HD2 HIS 3 HD2 HIS 3 -26.331 8.355 -0.128 21 HE1 HIS 3 HE1 HIS 3 -27.253 10.953 3.099 22 HE2 HIS 3 HE2 HIS 3 -27.903 10.192 0.793 23 H HIS 4 H HIS 4 -21.356 8.312 3.697 24 HA HIS 4 HA HIS 4 -19.122 6.857 2.572 25 HB2 HIS 4 HB2 HIS 4 -19.986 7.065 5.501 26 HB3 HIS 4 HB3 HIS 4 -18.401 6.573 4.913 27 HD1 HIS 4 HD1 HIS 4 -20.353 9.505 5.898 28 HD2 HIS 4 HD2 HIS 4 -16.885 8.770 3.725 29 HE1 HIS 4 HE1 HIS 4 -19.205 11.721 5.701 30 HE2 HIS 4 HE2 HIS 4 -17.233 11.292 4.209 31 H HIS 5 H HIS 5 -19.203 4.721 2.003 32 HA HIS 5 HA HIS 5 -21.557 3.122 2.596 33 HB2 HIS 5 HB2 HIS 5 -19.098 2.527 0.891 34 HB3 HIS 5 HB3 HIS 5 -20.500 1.466 1.021 35 HD1 HIS 5 HD1 HIS 5 -22.733 2.313 -0.061 36 HD2 HIS 5 HD2 HIS 5 -19.433 4.725 -0.821 37 HE1 HIS 5 HE1 HIS 5 -23.436 3.843 -1.919 38 HE2 HIS 5 HE2 HIS 5 -21.350 5.114 -2.516 39 H HIS 6 H HIS 6 -21.758 1.655 4.164 40 HA HIS 6 HA HIS 6 -19.507 0.124 5.218 41 HB2 HIS 6 HB2 HIS 6 -19.947 0.742 7.591 42 HB3 HIS 6 HB3 HIS 6 -19.408 2.115 6.645 43 HD1 HIS 6 HD1 HIS 6 -21.664 1.459 9.233 44 HD2 HIS 6 HD2 HIS 6 -21.987 3.599 5.683 45 HE1 HIS 6 HE1 HIS 6 -23.593 3.031 9.567 46 HE2 HIS 6 HE2 HIS 6 -23.825 4.251 7.385 47 H HIS 7 H HIS 7 -20.162 -1.936 5.437 48 HA HIS 7 HA HIS 7 -23.016 -2.609 5.502 49 HB2 HIS 7 HB2 HIS 7 -22.275 -4.938 5.070 50 HB3 HIS 7 HB3 HIS 7 -21.647 -3.820 3.874 51 HD1 HIS 7 HD1 HIS 7 -19.050 -3.316 3.975 52 HD2 HIS 7 HD2 HIS 7 -20.345 -6.372 6.483 53 HE1 HIS 7 HE1 HIS 7 -16.972 -4.533 4.676 54 HE2 HIS 7 HE2 HIS 7 -17.795 -6.477 6.037 55 H HIS 8 H HIS 8 -24.077 -3.399 7.249 56 HA HIS 8 HA HIS 8 -22.674 -3.623 9.827 57 HB2 HIS 8 HB2 HIS 8 -25.643 -3.624 9.136 58 HB3 HIS 8 HB3 HIS 8 -25.005 -3.742 10.773 59 HD1 HIS 8 HD1 HIS 8 -24.190 -1.603 11.885 60 HD2 HIS 8 HD2 HIS 8 -25.351 -1.036 7.934 61 HE1 HIS 8 HE1 HIS 8 -24.302 0.881 11.571 62 HE2 HIS 8 HE2 HIS 8 -25.263 1.182 9.268 63 H SER 9 H SER 9 -24.931 -5.585 7.832 64 HA SER 9 HA SER 9 -24.427 -8.050 9.258 65 HB2 SER 9 HB2 SER 9 -26.580 -7.724 8.106 66 HB3 SER 9 HB3 SER 9 -25.760 -7.569 6.552 67 HG SER 9 HG SER 9 -26.441 -9.658 6.679 68 H HIS 10 H HIS 10 -23.168 -9.818 8.588 69 HA HIS 10 HA HIS 10 -21.482 -9.779 6.246 70 HB2 HIS 10 HB2 HIS 10 -19.307 -9.631 7.493 71 HB3 HIS 10 HB3 HIS 10 -20.235 -8.139 7.560 72 HD1 HIS 10 HD1 HIS 10 -21.239 -7.462 9.867 73 HD2 HIS 10 HD2 HIS 10 -18.910 -10.906 9.978 74 HE1 HIS 10 HE1 HIS 10 -20.800 -7.897 12.296 75 HE2 HIS 10 HE2 HIS 10 -19.576 -10.094 12.341 76 H MET 11 H MET 11 -23.346 -11.562 7.842 77 HA MET 11 HA MET 11 -21.783 -13.696 8.982 78 HB2 MET 11 HB2 MET 11 -24.745 -13.578 8.270 79 HB3 MET 11 HB3 MET 11 -23.986 -14.876 9.185 80 HG2 MET 11 HG2 MET 11 -25.128 -13.379 10.699 81 HG3 MET 11 HG3 MET 11 -23.388 -13.239 10.956 82 HE1 MET 11 HE1 MET 11 -25.505 -11.068 12.058 83 HE2 MET 11 HE2 MET 11 -24.661 -9.572 11.656 84 HE3 MET 11 HE3 MET 11 -23.763 -10.945 12.306 85 H ILE 12 H ILE 12 -20.665 -15.100 7.812 86 HA ILE 12 HA ILE 12 -20.958 -15.553 5.007 87 HB ILE 12 HB ILE 12 -19.321 -17.110 7.066 88 HG12 ILE 12 HG12 ILE 12 -18.449 -14.772 5.291 89 HG13 ILE 12 HG13 ILE 12 -18.756 -14.673 7.022 90 HG21 ILE 12 HG21 ILE 12 -19.003 -17.032 4.037 91 HG22 ILE 12 HG22 ILE 12 -19.581 -18.402 4.988 92 HG23 ILE 12 HG23 ILE 12 -17.916 -17.852 5.164 93 HD11 ILE 12 HD11 ILE 12 -16.380 -14.747 6.568 94 HD12 ILE 12 HD12 ILE 12 -16.556 -16.268 5.695 95 HD13 ILE 12 HD13 ILE 12 -16.871 -16.204 7.431 96 H LYS 13 H LYS 13 -22.002 -17.159 3.936 97 HA LYS 13 HA LYS 13 -23.236 -19.435 5.399 98 HB2 LYS 13 HB2 LYS 13 -24.898 -17.595 4.808 99 HB3 LYS 13 HB3 LYS 13 -24.525 -17.867 3.112 100 HG2 LYS 13 HG2 LYS 13 -25.354 -20.233 3.374 101 HG3 LYS 13 HG3 LYS 13 -25.846 -19.828 5.024 102 HD2 LYS 13 HD2 LYS 13 -27.406 -18.129 4.162 103 HD3 LYS 13 HD3 LYS 13 -26.867 -18.440 2.508 104 HE2 LYS 13 HE2 LYS 13 -27.739 -20.772 2.699 105 HE3 LYS 13 HE3 LYS 13 -28.326 -20.397 4.324 106 HZ1 LYS 13 HZ1 LYS 13 -29.173 -19.006 1.841 107 HZ2 LYS 13 HZ2 LYS 13 -29.777 -18.737 3.396 108 HZ3 LYS 13 HZ3 LYS 13 -30.056 -20.217 2.630 109 H ARG 14 H ARG 14 -20.957 -20.106 4.554 110 HA ARG 14 HA ARG 14 -19.425 -20.871 3.068 111 HB2 ARG 14 HB2 ARG 14 -21.862 -22.367 2.018 112 HB3 ARG 14 HB3 ARG 14 -20.192 -22.765 1.615 113 HG2 ARG 14 HG2 ARG 14 -19.752 -23.214 4.033 114 HG3 ARG 14 HG3 ARG 14 -21.459 -22.906 4.375 115 HD2 ARG 14 HD2 ARG 14 -20.332 -25.125 2.621 116 HD3 ARG 14 HD3 ARG 14 -21.047 -25.310 4.226 117 HE ARG 14 HE ARG 14 -22.966 -24.106 2.599 118 HH11 ARG 14 HH11 ARG 14 -21.363 -27.165 2.773 119 HH12 ARG 14 HH12 ARG 14 -22.668 -27.996 2.006 120 HH21 ARG 14 HH21 ARG 14 -24.614 -25.218 1.623 121 HH22 ARG 14 HH22 ARG 14 -24.472 -26.920 1.368 122 H THR 15 H THR 15 -19.532 -18.530 2.326 123 HA THR 15 HA THR 15 -20.504 -18.126 -0.417 124 HB THR 15 HB THR 15 -19.875 -15.726 -0.032 125 HG1 THR 15 HG1 THR 15 -18.195 -15.987 1.486 126 HG21 THR 15 HG21 THR 15 -21.620 -16.889 2.180 127 HG22 THR 15 HG22 THR 15 -22.168 -16.461 0.558 128 HG23 THR 15 HG23 THR 15 -21.605 -15.200 1.655 129 H ASN 16 H ASN 16 -19.162 -18.347 -2.133 130 HA ASN 16 HA ASN 16 -16.414 -18.949 -2.018 131 HB2 ASN 16 HB2 ASN 16 -18.081 -17.847 -4.317 132 HB3 ASN 16 HB3 ASN 16 -16.421 -18.395 -4.504 133 HD21 ASN 16 HD21 ASN 16 -15.966 -20.626 -4.295 134 HD22 ASN 16 HD22 ASN 16 -17.209 -21.812 -4.475 135 H GLU 17 H GLU 17 -14.788 -17.661 -1.411 136 HA GLU 17 HA GLU 17 -14.782 -14.750 -1.978 137 HB2 GLU 17 HB2 GLU 17 -14.472 -15.438 0.400 138 HB3 GLU 17 HB3 GLU 17 -13.099 -16.430 -0.055 139 HG2 GLU 17 HG2 GLU 17 -12.152 -14.503 0.900 140 HG3 GLU 17 HG3 GLU 17 -11.964 -14.278 -0.835 141 HA PRO 18 HA PRO 18 -11.823 -16.411 -5.215 142 HB2 PRO 18 HB2 PRO 18 -12.333 -14.507 -7.115 143 HB3 PRO 18 HB3 PRO 18 -13.363 -15.930 -6.895 144 HG2 PRO 18 HG2 PRO 18 -13.746 -13.140 -5.802 145 HG3 PRO 18 HG3 PRO 18 -14.918 -14.175 -6.654 146 HD2 PRO 18 HD2 PRO 18 -14.930 -14.011 -3.963 147 HD3 PRO 18 HD3 PRO 18 -15.265 -15.551 -4.781 148 H LEU 19 H LEU 19 -10.039 -15.270 -6.388 149 HA LEU 19 HA LEU 19 -8.450 -13.651 -4.668 150 HB2 LEU 19 HB2 LEU 19 -7.884 -15.370 -6.658 151 HB3 LEU 19 HB3 LEU 19 -7.853 -13.909 -7.616 152 HG LEU 19 HG LEU 19 -5.616 -14.658 -6.887 153 HD11 LEU 19 HD11 LEU 19 -5.901 -12.300 -7.375 154 HD12 LEU 19 HD12 LEU 19 -4.716 -12.541 -6.094 155 HD13 LEU 19 HD13 LEU 19 -6.346 -11.983 -5.694 156 HD21 LEU 19 HD21 LEU 19 -6.226 -15.655 -4.729 157 HD22 LEU 19 HD22 LEU 19 -6.503 -14.044 -4.059 158 HD23 LEU 19 HD23 LEU 19 -4.882 -14.523 -4.575 159 H ASP 20 H ASP 20 -10.629 -12.940 -7.347 160 HA ASP 20 HA ASP 20 -10.094 -10.172 -7.683 161 HB2 ASP 20 HB2 ASP 20 -12.717 -11.677 -8.051 162 HB3 ASP 20 HB3 ASP 20 -12.378 -10.065 -8.679 163 H LYS 21 H LYS 21 -12.264 -11.881 -5.413 164 HA LYS 21 HA LYS 21 -13.229 -9.512 -4.120 165 HB2 LYS 21 HB2 LYS 21 -13.479 -12.440 -3.581 166 HB3 LYS 21 HB3 LYS 21 -13.633 -11.398 -2.173 167 HG2 LYS 21 HG2 LYS 21 -15.383 -10.094 -3.478 168 HG3 LYS 21 HG3 LYS 21 -15.344 -11.395 -4.670 169 HD2 LYS 21 HD2 LYS 21 -16.232 -12.983 -3.145 170 HD3 LYS 21 HD3 LYS 21 -15.849 -11.992 -1.736 171 HE2 LYS 21 HE2 LYS 21 -18.293 -12.077 -2.292 172 HE3 LYS 21 HE3 LYS 21 -17.627 -10.446 -2.244 173 HZ1 LYS 21 HZ1 LYS 21 -18.033 -11.998 -4.740 174 HZ2 LYS 21 HZ2 LYS 21 -17.601 -10.367 -4.612 175 HZ3 LYS 21 HZ3 LYS 21 -19.139 -10.879 -4.126 176 H LYS 22 H LYS 22 -10.379 -11.574 -3.553 177 HA LYS 22 HA LYS 22 -9.538 -10.324 -1.135 178 HB2 LYS 22 HB2 LYS 22 -8.433 -12.399 -1.890 179 HB3 LYS 22 HB3 LYS 22 -7.800 -11.574 -3.315 180 HG2 LYS 22 HG2 LYS 22 -6.459 -10.074 -1.853 181 HG3 LYS 22 HG3 LYS 22 -7.097 -10.904 -0.432 182 HD2 LYS 22 HD2 LYS 22 -6.031 -13.019 -1.283 183 HD3 LYS 22 HD3 LYS 22 -5.308 -12.068 -2.583 184 HE2 LYS 22 HE2 LYS 22 -3.960 -10.819 -1.041 185 HE3 LYS 22 HE3 LYS 22 -4.863 -11.424 0.346 186 HZ1 LYS 22 HZ1 LYS 22 -3.078 -13.012 -1.399 187 HZ2 LYS 22 HZ2 LYS 22 -3.996 -13.640 -0.129 188 HZ3 LYS 22 HZ3 LYS 22 -2.763 -12.526 0.186 189 H ARG 23 H ARG 23 -8.781 -9.642 -4.540 190 HA ARG 23 HA ARG 23 -7.176 -7.387 -4.293 191 HB2 ARG 23 HB2 ARG 23 -7.455 -8.589 -6.391 192 HB3 ARG 23 HB3 ARG 23 -9.165 -8.188 -6.454 193 HG2 ARG 23 HG2 ARG 23 -8.678 -5.866 -6.915 194 HG3 ARG 23 HG3 ARG 23 -6.957 -6.118 -6.618 195 HD2 ARG 23 HD2 ARG 23 -7.457 -5.977 -9.031 196 HD3 ARG 23 HD3 ARG 23 -6.785 -7.546 -8.597 197 HE ARG 23 HE ARG 23 -9.238 -8.292 -8.596 198 HH11 ARG 23 HH11 ARG 23 -8.043 -5.840 -10.742 199 HH12 ARG 23 HH12 ARG 23 -9.162 -6.248 -11.991 200 HH21 ARG 23 HH21 ARG 23 -10.643 -8.789 -10.214 201 HH22 ARG 23 HH22 ARG 23 -10.618 -7.894 -11.692 202 H ALA 24 H ALA 24 -10.731 -7.537 -4.641 203 HA ALA 24 HA ALA 24 -11.307 -4.787 -4.391 204 HB1 ALA 24 HB1 ALA 24 -13.060 -7.154 -3.647 205 HB2 ALA 24 HB2 ALA 24 -12.924 -6.435 -5.252 206 HB3 ALA 24 HB3 ALA 24 -13.616 -5.499 -3.927 207 H ARG 25 H ARG 25 -11.017 -7.340 -1.937 208 HA ARG 25 HA ARG 25 -11.860 -5.864 0.330 209 HB2 ARG 25 HB2 ARG 25 -11.821 -8.328 0.275 210 HB3 ARG 25 HB3 ARG 25 -10.067 -8.319 0.140 211 HG2 ARG 25 HG2 ARG 25 -9.906 -7.324 2.407 212 HG3 ARG 25 HG3 ARG 25 -11.667 -7.350 2.537 213 HD2 ARG 25 HD2 ARG 25 -9.899 -9.801 2.195 214 HD3 ARG 25 HD3 ARG 25 -10.583 -9.246 3.727 215 HE ARG 25 HE ARG 25 -12.101 -10.353 1.434 216 HH11 ARG 25 HH11 ARG 25 -12.009 -9.496 4.805 217 HH12 ARG 25 HH12 ARG 25 -13.489 -10.321 5.152 218 HH21 ARG 25 HH21 ARG 25 -13.989 -11.401 1.928 219 HH22 ARG 25 HH22 ARG 25 -14.583 -11.387 3.554 220 H LEU 26 H LEU 26 -8.638 -6.328 -1.120 221 HA LEU 26 HA LEU 26 -7.178 -5.017 0.972 222 HB2 LEU 26 HB2 LEU 26 -6.373 -5.658 -1.882 223 HB3 LEU 26 HB3 LEU 26 -5.285 -4.983 -0.684 224 HG LEU 26 HG LEU 26 -6.596 -7.741 -0.497 225 HD11 LEU 26 HD11 LEU 26 -4.359 -8.631 -0.918 226 HD12 LEU 26 HD12 LEU 26 -3.723 -6.998 -1.138 227 HD13 LEU 26 HD13 LEU 26 -4.912 -7.645 -2.272 228 HD21 LEU 26 HD21 LEU 26 -6.231 -6.780 1.725 229 HD22 LEU 26 HD22 LEU 26 -4.562 -6.372 1.313 230 HD23 LEU 26 HD23 LEU 26 -5.060 -8.067 1.434 231 H ILE 27 H ILE 27 -8.445 -3.943 -2.212 232 HA ILE 27 HA ILE 27 -7.634 -1.232 -2.072 233 HB ILE 27 HB ILE 27 -10.121 -2.378 -3.445 234 HG12 ILE 27 HG12 ILE 27 -7.358 -1.766 -4.608 235 HG13 ILE 27 HG13 ILE 27 -7.973 -3.372 -4.262 236 HG21 ILE 27 HG21 ILE 27 -10.332 0.070 -3.148 237 HG22 ILE 27 HG22 ILE 27 -10.116 -0.333 -4.849 238 HG23 ILE 27 HG23 ILE 27 -8.761 0.312 -3.917 239 HD11 ILE 27 HD11 ILE 27 -9.081 -1.468 -6.329 240 HD12 ILE 27 HD12 ILE 27 -9.679 -3.097 -5.998 241 HD13 ILE 27 HD13 ILE 27 -8.051 -2.866 -6.638 242 H TYR 28 H TYR 28 -10.371 -2.928 -0.607 243 HA TYR 28 HA TYR 28 -11.730 -0.656 0.480 244 HB2 TYR 28 HB2 TYR 28 -12.958 -2.712 0.253 245 HB3 TYR 28 HB3 TYR 28 -11.763 -3.613 1.174 246 HD1 TYR 28 HD2 TYR 28 -14.061 -0.653 1.665 247 HD2 TYR 28 HD1 TYR 28 -12.349 -4.179 3.380 248 HE1 TYR 28 HE2 TYR 28 -15.380 -0.301 3.712 249 HE2 TYR 28 HE1 TYR 28 -13.666 -3.828 5.420 250 HH TYR 28 HH TYR 28 -14.866 -2.194 6.595 251 H GLN 29 H GLN 29 -9.325 -2.913 1.869 252 HA GLN 29 HA GLN 29 -9.183 -1.764 4.470 253 HB2 GLN 29 HB2 GLN 29 -7.177 -3.472 2.941 254 HB3 GLN 29 HB3 GLN 29 -7.001 -3.047 4.640 255 HG2 GLN 29 HG2 GLN 29 -8.979 -4.326 5.223 256 HG3 GLN 29 HG3 GLN 29 -9.341 -4.620 3.523 257 HE21 GLN 29 HE21 GLN 29 -6.079 -4.838 4.913 258 HE22 GLN 29 HE22 GLN 29 -5.926 -6.543 4.718 259 H SER 30 H SER 30 -7.596 -0.998 1.446 260 HA SER 30 HA SER 30 -5.386 0.506 2.503 261 HB2 SER 30 HB2 SER 30 -4.930 1.084 0.191 262 HB3 SER 30 HB3 SER 30 -5.419 -0.607 0.245 263 HG SER 30 HG SER 30 -6.439 1.273 -1.230 264 H ARG 31 H ARG 31 -8.502 1.384 1.030 265 HA ARG 31 HA ARG 31 -8.205 4.231 1.447 266 HB2 ARG 31 HB2 ARG 31 -10.424 4.415 0.505 267 HB3 ARG 31 HB3 ARG 31 -9.511 3.240 -0.435 268 HG2 ARG 31 HG2 ARG 31 -10.695 1.397 0.756 269 HG3 ARG 31 HG3 ARG 31 -11.641 2.602 1.641 270 HD2 ARG 31 HD2 ARG 31 -11.652 2.080 -1.353 271 HD3 ARG 31 HD3 ARG 31 -12.977 1.814 -0.213 272 HE ARG 31 HE ARG 31 -12.662 4.406 0.119 273 HH11 ARG 31 HH11 ARG 31 -12.712 2.684 -2.883 274 HH12 ARG 31 HH12 ARG 31 -13.191 4.076 -3.784 275 HH21 ARG 31 HH21 ARG 31 -13.233 6.160 -1.052 276 HH22 ARG 31 HH22 ARG 31 -13.500 6.014 -2.755 277 H LYS 32 H LYS 32 -8.804 1.779 3.603 278 HA LYS 32 HA LYS 32 -10.402 3.477 5.438 279 HB2 LYS 32 HB2 LYS 32 -10.940 0.926 4.695 280 HB3 LYS 32 HB3 LYS 32 -9.826 0.573 6.008 281 HG2 LYS 32 HG2 LYS 32 -11.308 1.945 7.523 282 HG3 LYS 32 HG3 LYS 32 -12.444 2.096 6.171 283 HD2 LYS 32 HD2 LYS 32 -12.509 -0.433 6.073 284 HD3 LYS 32 HD3 LYS 32 -11.575 -0.451 7.568 285 HE2 LYS 32 HE2 LYS 32 -13.902 -0.756 8.134 286 HE3 LYS 32 HE3 LYS 32 -13.439 0.866 8.652 287 HZ1 LYS 32 HZ1 LYS 32 -14.444 1.748 6.626 288 HZ2 LYS 32 HZ2 LYS 32 -15.570 0.883 7.541 289 HZ3 LYS 32 HZ3 LYS 32 -14.898 0.186 6.157 290 H ARG 33 H ARG 33 -8.994 4.650 6.665 291 HA ARG 33 HA ARG 33 -6.846 3.369 8.205 292 HB2 ARG 33 HB2 ARG 33 -6.363 5.521 6.099 293 HB3 ARG 33 HB3 ARG 33 -5.298 5.401 7.495 294 HG2 ARG 33 HG2 ARG 33 -5.773 3.224 5.419 295 HG3 ARG 33 HG3 ARG 33 -4.331 4.244 5.552 296 HD2 ARG 33 HD2 ARG 33 -3.864 3.284 7.781 297 HD3 ARG 33 HD3 ARG 33 -5.311 2.284 7.665 298 HE ARG 33 HE ARG 33 -3.988 1.460 5.540 299 HH11 ARG 33 HH11 ARG 33 -2.797 1.996 8.761 300 HH12 ARG 33 HH12 ARG 33 -1.648 0.707 8.657 301 HH21 ARG 33 HH21 ARG 33 -2.513 -0.190 5.461 302 HH22 ARG 33 HH22 ARG 33 -1.493 -0.508 6.818 303 H GLY 34 H GLY 34 -5.713 5.915 9.109 304 HA2 GLY 34 HA2 GLY 34 -8.001 7.083 10.622 305 HA3 GLY 34 HA3 GLY 34 -6.431 6.755 11.333 306 H ILE 35 H ILE 35 -5.931 7.918 8.226 307 HA ILE 35 HA ILE 35 -5.879 10.769 8.910 308 HB ILE 35 HB ILE 35 -3.389 10.851 8.063 309 HG12 ILE 35 HG12 ILE 35 -3.445 7.976 9.096 310 HG13 ILE 35 HG13 ILE 35 -3.276 8.434 7.406 311 HG21 ILE 35 HG21 ILE 35 -2.498 10.666 10.343 312 HG22 ILE 35 HG22 ILE 35 -3.980 9.862 10.866 313 HG23 ILE 35 HG23 ILE 35 -4.032 11.536 10.308 314 HD11 ILE 35 HD11 ILE 35 -1.163 7.804 8.376 315 HD12 ILE 35 HD12 ILE 35 -1.328 9.047 9.614 316 HD13 ILE 35 HD13 ILE 35 -1.144 9.507 7.918 317 H LEU 36 H LEU 36 -6.512 11.887 7.147 318 HA LEU 36 HA LEU 36 -7.454 10.616 4.858 319 HB2 LEU 36 HB2 LEU 36 -8.277 12.784 5.768 320 HB3 LEU 36 HB3 LEU 36 -6.816 13.565 5.188 321 HG LEU 36 HG LEU 36 -7.475 13.035 2.837 322 HD11 LEU 36 HD11 LEU 36 -8.806 11.026 3.214 323 HD12 LEU 36 HD12 LEU 36 -9.730 12.229 2.322 324 HD13 LEU 36 HD13 LEU 36 -10.048 11.974 4.040 325 HD21 LEU 36 HD21 LEU 36 -9.592 14.576 4.378 326 HD22 LEU 36 HD22 LEU 36 -9.291 14.677 2.641 327 HD23 LEU 36 HD23 LEU 36 -8.062 15.224 3.777 328 H GLU 37 H GLU 37 -4.278 12.034 5.384 329 HA GLU 37 HA GLU 37 -3.385 12.215 2.694 330 HB2 GLU 37 HB2 GLU 37 -1.825 11.795 5.274 331 HB3 GLU 37 HB3 GLU 37 -1.064 12.105 3.710 332 HG2 GLU 37 HG2 GLU 37 -2.235 14.279 3.582 333 HG3 GLU 37 HG3 GLU 37 -2.974 13.974 5.152 334 H THR 38 H THR 38 -2.919 9.557 5.092 335 HA THR 38 HA THR 38 -1.730 7.763 3.163 336 HB THR 38 HB THR 38 -2.788 7.150 5.954 337 HG1 THR 38 HG1 THR 38 -0.358 7.160 6.277 338 HG21 THR 38 HG21 THR 38 -0.927 5.495 4.190 339 HG22 THR 38 HG22 THR 38 -2.578 5.061 4.640 340 HG23 THR 38 HG23 THR 38 -1.319 5.148 5.875 341 H ASP 39 H ASP 39 -5.052 8.225 4.407 342 HA ASP 39 HA ASP 39 -6.353 6.004 3.320 343 HB2 ASP 39 HB2 ASP 39 -7.274 8.860 3.788 344 HB3 ASP 39 HB3 ASP 39 -8.353 7.718 3.000 345 H LEU 40 H LEU 40 -5.818 9.184 1.719 346 HA LEU 40 HA LEU 40 -6.826 8.352 -0.836 347 HB2 LEU 40 HB2 LEU 40 -5.161 10.778 -0.063 348 HB3 LEU 40 HB3 LEU 40 -5.882 10.541 -1.650 349 HG LEU 40 HG LEU 40 -7.415 10.877 0.967 350 HD11 LEU 40 HD11 LEU 40 -6.396 12.973 0.230 351 HD12 LEU 40 HD12 LEU 40 -8.147 13.034 0.057 352 HD13 LEU 40 HD13 LEU 40 -7.129 12.799 -1.369 353 HD21 LEU 40 HD21 LEU 40 -9.452 10.936 -0.421 354 HD22 LEU 40 HD22 LEU 40 -8.629 9.387 -0.555 355 HD23 LEU 40 HD23 LEU 40 -8.494 10.568 -1.860 356 H LEU 41 H LEU 41 -3.570 8.488 0.572 357 HA LEU 41 HA LEU 41 -1.973 8.065 -1.714 358 HB2 LEU 41 HB2 LEU 41 -0.995 8.666 0.446 359 HB3 LEU 41 HB3 LEU 41 -1.573 7.175 1.169 360 HG LEU 41 HG LEU 41 0.011 5.890 -0.317 361 HD11 LEU 41 HD11 LEU 41 0.280 7.471 -2.148 362 HD12 LEU 41 HD12 LEU 41 1.846 7.061 -1.453 363 HD13 LEU 41 HD13 LEU 41 1.097 8.616 -1.079 364 HD21 LEU 41 HD21 LEU 41 1.328 7.933 1.507 365 HD22 LEU 41 HD22 LEU 41 2.038 6.406 0.971 366 HD23 LEU 41 HD23 LEU 41 0.614 6.396 2.007 367 H LEU 42 H LEU 42 -3.152 5.614 0.621 368 HA LEU 42 HA LEU 42 -2.316 3.379 -0.971 369 HB2 LEU 42 HB2 LEU 42 -3.993 3.573 1.548 370 HB3 LEU 42 HB3 LEU 42 -3.585 2.042 0.790 371 HG LEU 42 HG LEU 42 -1.583 4.019 1.959 372 HD11 LEU 42 HD11 LEU 42 -1.204 2.313 3.688 373 HD12 LEU 42 HD12 LEU 42 -2.493 1.316 3.005 374 HD13 LEU 42 HD13 LEU 42 -2.869 2.894 3.704 375 HD21 LEU 42 HD21 LEU 42 0.108 2.257 1.551 376 HD22 LEU 42 HD22 LEU 42 -0.603 2.842 0.050 377 HD23 LEU 42 HD23 LEU 42 -1.107 1.283 0.713 378 H SER 43 H SER 43 -5.402 5.117 -0.636 379 HA SER 43 HA SER 43 -7.111 3.178 -1.841 380 HB2 SER 43 HB2 SER 43 -8.031 5.145 -0.651 381 HB3 SER 43 HB3 SER 43 -7.398 6.217 -1.898 382 HG SER 43 HG SER 43 -9.634 5.690 -2.186 383 H GLY 44 H GLY 44 -5.509 6.043 -3.259 384 HA2 GLY 44 HA2 GLY 44 -6.197 5.592 -5.967 385 HA3 GLY 44 HA3 GLY 44 -4.863 6.579 -5.390 386 H PHE 45 H PHE 45 -3.339 4.652 -4.070 387 HA PHE 45 HA PHE 45 -1.817 3.417 -6.091 388 HB2 PHE 45 HB2 PHE 45 -0.954 4.007 -3.818 389 HB3 PHE 45 HB3 PHE 45 -1.918 2.714 -3.120 390 HD1 PHE 45 HD1 PHE 45 1.008 3.472 -5.256 391 HD2 PHE 45 HD2 PHE 45 -1.164 0.390 -3.257 392 HE1 PHE 45 HE1 PHE 45 2.857 1.912 -5.634 393 HE2 PHE 45 HE2 PHE 45 0.707 -1.165 -3.637 394 HZ PHE 45 HZ PHE 45 2.718 -0.403 -4.830 395 H ALA 46 H ALA 46 -4.318 2.087 -3.938 396 HA ALA 46 HA ALA 46 -3.905 -0.636 -4.663 397 HB1 ALA 46 HB1 ALA 46 -4.860 0.007 -2.500 398 HB2 ALA 46 HB2 ALA 46 -5.905 -1.123 -3.364 399 HB3 ALA 46 HB3 ALA 46 -6.313 0.595 -3.311 400 H ALA 47 H ALA 47 -6.391 1.734 -5.634 401 HA ALA 47 HA ALA 47 -7.943 0.000 -7.267 402 HB1 ALA 47 HB1 ALA 47 -8.969 2.061 -8.138 403 HB2 ALA 47 HB2 ALA 47 -7.671 3.022 -7.416 404 HB3 ALA 47 HB3 ALA 47 -8.793 2.131 -6.384 405 H LYS 48 H LYS 48 -4.992 1.692 -7.849 406 HA LYS 48 HA LYS 48 -5.071 1.565 -10.775 407 HB2 LYS 48 HB2 LYS 48 -4.236 3.534 -9.401 408 HB3 LYS 48 HB3 LYS 48 -2.875 2.533 -8.908 409 HG2 LYS 48 HG2 LYS 48 -2.113 2.398 -11.242 410 HG3 LYS 48 HG3 LYS 48 -3.519 3.339 -11.766 411 HD2 LYS 48 HD2 LYS 48 -2.688 5.200 -10.212 412 HD3 LYS 48 HD3 LYS 48 -1.200 4.263 -10.024 413 HE2 LYS 48 HE2 LYS 48 -2.308 5.316 -12.644 414 HE3 LYS 48 HE3 LYS 48 -0.992 6.047 -11.721 415 HZ1 LYS 48 HZ1 LYS 48 0.315 4.040 -12.069 416 HZ2 LYS 48 HZ2 LYS 48 -0.174 4.683 -13.554 417 HZ3 LYS 48 HZ3 LYS 48 -0.956 3.324 -12.922 418 H TYR 49 H TYR 49 -2.947 0.369 -8.149 419 HA TYR 49 HA TYR 49 -1.266 -1.142 -9.934 420 HB2 TYR 49 HB2 TYR 49 -1.176 -0.596 -6.958 421 HB3 TYR 49 HB3 TYR 49 -0.099 -1.782 -7.689 422 HD1 TYR 49 HD1 TYR 49 -1.170 1.805 -8.175 423 HD2 TYR 49 HD2 TYR 49 2.005 -1.047 -8.412 424 HE1 TYR 49 HE1 TYR 49 0.402 3.605 -8.748 425 HE2 TYR 49 HE2 TYR 49 3.580 0.758 -8.987 426 HH TYR 49 HH TYR 49 3.619 2.977 -9.835 427 H LEU 50 H LEU 50 -3.602 -2.095 -7.322 428 HA LEU 50 HA LEU 50 -3.046 -4.874 -7.410 429 HB2 LEU 50 HB2 LEU 50 -5.467 -3.324 -6.531 430 HB3 LEU 50 HB3 LEU 50 -5.599 -5.064 -6.694 431 HG LEU 50 HG LEU 50 -3.639 -5.276 -5.096 432 HD11 LEU 50 HD11 LEU 50 -3.093 -3.451 -3.629 433 HD12 LEU 50 HD12 LEU 50 -4.178 -2.379 -4.505 434 HD13 LEU 50 HD13 LEU 50 -2.732 -3.011 -5.299 435 HD21 LEU 50 HD21 LEU 50 -6.154 -3.994 -4.027 436 HD22 LEU 50 HD22 LEU 50 -5.004 -4.968 -3.111 437 HD23 LEU 50 HD23 LEU 50 -5.934 -5.703 -4.411 438 H LYS 51 H LYS 51 -4.849 -2.897 -9.564 439 HA LYS 51 HA LYS 51 -6.335 -4.879 -10.965 440 HB2 LYS 51 HB2 LYS 51 -7.002 -2.558 -10.907 441 HB3 LYS 51 HB3 LYS 51 -5.473 -2.039 -11.596 442 HG2 LYS 51 HG2 LYS 51 -6.055 -2.868 -13.759 443 HG3 LYS 51 HG3 LYS 51 -7.451 -3.745 -13.128 444 HD2 LYS 51 HD2 LYS 51 -8.008 -1.577 -14.335 445 HD3 LYS 51 HD3 LYS 51 -8.661 -1.709 -12.700 446 HE2 LYS 51 HE2 LYS 51 -6.750 -0.322 -11.858 447 HE3 LYS 51 HE3 LYS 51 -6.192 -0.122 -13.525 448 HZ1 LYS 51 HZ1 LYS 51 -7.466 1.770 -12.795 449 HZ2 LYS 51 HZ2 LYS 51 -8.787 0.788 -12.411 450 HZ3 LYS 51 HZ3 LYS 51 -8.306 0.965 -14.022 451 H LYS 52 H LYS 52 -3.029 -3.557 -11.407 452 HA LYS 52 HA LYS 52 -2.553 -5.326 -13.706 453 HB2 LYS 52 HB2 LYS 52 -0.280 -4.316 -13.787 454 HB3 LYS 52 HB3 LYS 52 -1.578 -3.140 -13.939 455 HG2 LYS 52 HG2 LYS 52 -1.258 -2.375 -11.681 456 HG3 LYS 52 HG3 LYS 52 -0.114 -3.672 -11.338 457 HD2 LYS 52 HD2 LYS 52 0.566 -1.825 -13.607 458 HD3 LYS 52 HD3 LYS 52 0.648 -1.143 -11.983 459 HE2 LYS 52 HE2 LYS 52 2.849 -1.969 -12.662 460 HE3 LYS 52 HE3 LYS 52 2.236 -2.933 -11.323 461 HZ1 LYS 52 HZ1 LYS 52 1.647 -4.673 -12.856 462 HZ2 LYS 52 HZ2 LYS 52 3.277 -4.275 -13.053 463 HZ3 LYS 52 HZ3 LYS 52 2.133 -3.737 -14.174 464 H MET 53 H MET 53 -2.000 -5.368 -10.252 465 HA MET 53 HA MET 53 0.372 -7.036 -10.344 466 HB2 MET 53 HB2 MET 53 -1.234 -5.892 -8.042 467 HB3 MET 53 HB3 MET 53 0.056 -7.054 -7.773 468 HG2 MET 53 HG2 MET 53 1.587 -5.462 -9.016 469 HG3 MET 53 HG3 MET 53 0.295 -4.271 -8.908 470 HE1 MET 53 HE1 MET 53 -0.882 -4.951 -5.960 471 HE2 MET 53 HE2 MET 53 -0.578 -3.291 -6.482 472 HE3 MET 53 HE3 MET 53 0.068 -3.867 -4.944 473 H ASN 54 H ASN 54 0.621 -9.130 -9.657 474 HA ASN 54 HA ASN 54 -1.735 -10.873 -9.869 475 HB2 ASN 54 HB2 ASN 54 -0.072 -12.717 -10.068 476 HB3 ASN 54 HB3 ASN 54 0.161 -11.461 -11.276 477 HD21 ASN 54 HD21 ASN 54 2.299 -11.831 -11.675 478 HD22 ASN 54 HD22 ASN 54 3.561 -11.629 -10.517 479 H GLU 55 H GLU 55 -1.341 -13.026 -8.408 480 HA GLU 55 HA GLU 55 -2.291 -12.515 -5.873 481 HB2 GLU 55 HB2 GLU 55 -0.697 -14.937 -6.811 482 HB3 GLU 55 HB3 GLU 55 -1.593 -14.882 -5.302 483 HG2 GLU 55 HG2 GLU 55 -2.942 -16.096 -6.784 484 HG3 GLU 55 HG3 GLU 55 -3.685 -14.512 -6.679 485 H GLU 56 H GLU 56 1.055 -13.116 -6.808 486 HA GLU 56 HA GLU 56 2.211 -13.341 -4.222 487 HB2 GLU 56 HB2 GLU 56 3.524 -12.634 -6.875 488 HB3 GLU 56 HB3 GLU 56 4.342 -13.284 -5.452 489 HG2 GLU 56 HG2 GLU 56 3.262 -15.411 -5.689 490 HG3 GLU 56 HG3 GLU 56 2.127 -14.785 -6.882 491 H GLU 57 H GLU 57 1.886 -10.602 -6.462 492 HA GLU 57 HA GLU 57 3.303 -8.695 -4.837 493 HB2 GLU 57 HB2 GLU 57 1.344 -8.278 -7.130 494 HB3 GLU 57 HB3 GLU 57 2.384 -7.028 -6.446 495 HG2 GLU 57 HG2 GLU 57 4.375 -8.209 -7.218 496 HG3 GLU 57 HG3 GLU 57 3.397 -9.553 -7.798 497 H LEU 58 H LEU 58 -0.163 -9.440 -5.319 498 HA LEU 58 HA LEU 58 -1.325 -7.489 -3.690 499 HB2 LEU 58 HB2 LEU 58 -2.376 -10.321 -4.055 500 HB3 LEU 58 HB3 LEU 58 -3.301 -8.940 -3.485 501 HG LEU 58 HG LEU 58 -2.355 -9.560 -6.286 502 HD11 LEU 58 HD11 LEU 58 -4.668 -9.157 -6.902 503 HD12 LEU 58 HD12 LEU 58 -5.062 -8.696 -5.242 504 HD13 LEU 58 HD13 LEU 58 -4.575 -10.352 -5.607 505 HD21 LEU 58 HD21 LEU 58 -3.195 -6.810 -5.352 506 HD22 LEU 58 HD22 LEU 58 -2.996 -7.309 -7.034 507 HD23 LEU 58 HD23 LEU 58 -1.606 -7.280 -5.956 508 H GLU 59 H GLU 59 -0.018 -10.677 -2.678 509 HA GLU 59 HA GLU 59 -0.890 -10.389 0.062 510 HB2 GLU 59 HB2 GLU 59 0.380 -12.432 0.508 511 HB3 GLU 59 HB3 GLU 59 -0.614 -12.614 -0.930 512 HG2 GLU 59 HG2 GLU 59 1.434 -12.157 -2.318 513 HG3 GLU 59 HG3 GLU 59 2.383 -12.171 -0.829 514 H GLU 60 H GLU 60 2.069 -9.588 -1.706 515 HA GLU 60 HA GLU 60 3.665 -8.759 0.502 516 HB2 GLU 60 HB2 GLU 60 4.473 -9.080 -1.886 517 HB3 GLU 60 HB3 GLU 60 3.655 -7.588 -2.322 518 HG2 GLU 60 HG2 GLU 60 5.146 -6.298 -0.890 519 HG3 GLU 60 HG3 GLU 60 5.901 -7.769 -0.281 520 H TYR 61 H TYR 61 1.188 -7.125 -1.461 521 HA TYR 61 HA TYR 61 1.286 -4.585 -0.182 522 HB2 TYR 61 HB2 TYR 61 0.289 -4.964 -2.448 523 HB3 TYR 61 HB3 TYR 61 -1.058 -5.812 -1.690 524 HD1 TYR 61 HD2 TYR 61 0.770 -2.552 -1.461 525 HD2 TYR 61 HD1 TYR 61 -3.009 -4.529 -1.191 526 HE1 TYR 61 HE2 TYR 61 -0.325 -0.401 -1.107 527 HE2 TYR 61 HE1 TYR 61 -4.114 -2.362 -0.819 528 HH TYR 61 HH TYR 61 -3.315 -0.016 0.088 529 H ASP 62 H ASP 62 -0.601 -7.508 0.464 530 HA ASP 62 HA ASP 62 -2.341 -6.566 2.457 531 HB2 ASP 62 HB2 ASP 62 -2.598 -8.774 1.444 532 HB3 ASP 62 HB3 ASP 62 -1.039 -9.295 2.070 533 H SER 63 H SER 63 1.000 -7.742 2.661 534 HA SER 63 HA SER 63 1.428 -7.528 5.440 535 HB2 SER 63 HB2 SER 63 3.470 -7.122 3.213 536 HB3 SER 63 HB3 SER 63 3.835 -7.523 4.894 537 HG SER 63 HG SER 63 3.173 -9.159 2.851 538 H LEU 64 H LEU 64 1.673 -5.074 2.860 539 HA LEU 64 HA LEU 64 2.728 -2.961 4.476 540 HB2 LEU 64 HB2 LEU 64 2.896 -3.037 1.981 541 HB3 LEU 64 HB3 LEU 64 1.163 -2.783 1.874 542 HG LEU 64 HG LEU 64 1.488 -0.550 3.029 543 HD11 LEU 64 HD11 LEU 64 4.440 -1.083 2.578 544 HD12 LEU 64 HD12 LEU 64 3.620 -0.972 4.138 545 HD13 LEU 64 HD13 LEU 64 3.730 0.449 3.102 546 HD21 LEU 64 HD21 LEU 64 1.196 -0.669 0.596 547 HD22 LEU 64 HD22 LEU 64 2.936 -0.878 0.377 548 HD23 LEU 64 HD23 LEU 64 2.300 0.634 1.033 549 H LEU 65 H LEU 65 -0.546 -4.072 3.728 550 HA LEU 65 HA LEU 65 -1.911 -1.880 4.992 551 HB2 LEU 65 HB2 LEU 65 -2.875 -4.668 4.270 552 HB3 LEU 65 HB3 LEU 65 -3.920 -3.380 4.865 553 HG LEU 65 HG LEU 65 -2.355 -3.360 2.251 554 HD11 LEU 65 HD11 LEU 65 -4.314 -4.809 2.185 555 HD12 LEU 65 HD12 LEU 65 -4.530 -3.394 1.161 556 HD13 LEU 65 HD13 LEU 65 -5.339 -3.479 2.726 557 HD21 LEU 65 HD21 LEU 65 -2.400 -1.099 3.154 558 HD22 LEU 65 HD22 LEU 65 -4.141 -1.195 3.422 559 HD23 LEU 65 HD23 LEU 65 -3.495 -1.209 1.778 560 H ASN 66 H ASN 66 -0.530 -4.880 6.130 561 HA ASN 66 HA ASN 66 -1.612 -4.722 8.809 562 HB2 ASN 66 HB2 ASN 66 0.749 -6.318 7.721 563 HB3 ASN 66 HB3 ASN 66 0.024 -6.535 9.313 564 HD21 ASN 66 HD21 ASN 66 0.283 -8.406 7.032 565 HD22 ASN 66 HD22 ASN 66 -1.315 -8.937 6.681 566 H GLU 67 H GLU 67 0.668 -2.822 7.208 567 HA GLU 67 HA GLU 67 2.391 -2.261 9.498 568 HB2 GLU 67 HB2 GLU 67 2.267 -0.994 6.726 569 HB3 GLU 67 HB3 GLU 67 3.422 -0.528 7.973 570 HG2 GLU 67 HG2 GLU 67 3.212 -3.249 6.663 571 HG3 GLU 67 HG3 GLU 67 4.425 -2.020 6.309 572 H LEU 68 H LEU 68 2.827 0.177 9.820 573 HA LEU 68 HA LEU 68 0.448 1.229 11.098 574 HB2 LEU 68 HB2 LEU 68 3.329 2.199 11.111 575 HB3 LEU 68 HB3 LEU 68 2.054 2.777 12.181 576 HG LEU 68 HG LEU 68 3.087 -0.096 12.134 577 HD11 LEU 68 HD11 LEU 68 3.735 2.111 14.114 578 HD12 LEU 68 HD12 LEU 68 4.841 1.417 12.926 579 HD13 LEU 68 HD13 LEU 68 4.229 0.419 14.243 580 HD21 LEU 68 HD21 LEU 68 1.211 1.294 14.083 581 HD22 LEU 68 HD22 LEU 68 1.824 -0.356 14.238 582 HD23 LEU 68 HD23 LEU 68 0.761 0.063 12.899 583 H ASP 69 H ASP 69 -0.615 3.068 10.634 584 HA ASP 69 HA ASP 69 -1.052 4.013 8.121 585 HB2 ASP 69 HB2 ASP 69 -1.407 5.515 10.748 586 HB3 ASP 69 HB3 ASP 69 -2.135 6.013 9.220 587 H TRP 70 H TRP 70 0.686 6.045 10.539 588 HA TRP 70 HA TRP 70 1.496 8.023 8.682 589 HB2 TRP 70 HB2 TRP 70 2.199 7.422 11.544 590 HB3 TRP 70 HB3 TRP 70 3.226 8.546 10.671 591 HD1 TRP 70 HD1 TRP 70 0.232 8.595 12.791 592 HE1 TRP 70 HE1 TRP 70 -1.009 10.836 12.552 593 HE3 TRP 70 HE3 TRP 70 2.498 10.365 8.536 594 HZ2 TRP 70 HZ2 TRP 70 -1.043 13.046 10.805 595 HZ3 TRP 70 HZ3 TRP 70 1.793 12.550 7.647 596 HH2 TRP 70 HH2 TRP 70 0.056 13.862 8.762 597 H ASP 71 H ASP 71 3.189 5.142 9.885 598 HA ASP 71 HA ASP 71 5.801 5.829 9.012 599 HB2 ASP 71 HB2 ASP 71 4.515 3.125 9.582 600 HB3 ASP 71 HB3 ASP 71 6.235 3.339 9.262 601 H ILE 72 H ILE 72 3.221 3.923 7.422 602 HA ILE 72 HA ILE 72 4.418 3.233 4.998 603 HB ILE 72 HB ILE 72 1.540 4.087 5.541 604 HG12 ILE 72 HG12 ILE 72 2.691 1.274 5.267 605 HG13 ILE 72 HG13 ILE 72 2.399 2.075 6.807 606 HG21 ILE 72 HG21 ILE 72 2.579 2.638 3.074 607 HG22 ILE 72 HG22 ILE 72 1.948 4.286 3.126 608 HG23 ILE 72 HG23 ILE 72 0.878 2.925 3.458 609 HD11 ILE 72 HD11 ILE 72 0.630 0.526 6.301 610 HD12 ILE 72 HD12 ILE 72 0.311 1.330 4.766 611 HD13 ILE 72 HD13 ILE 72 -0.000 2.172 6.288 612 H TYR 73 H TYR 73 2.799 6.283 5.879 613 HA TYR 73 HA TYR 73 3.015 7.593 3.377 614 HB2 TYR 73 HB2 TYR 73 1.429 8.245 5.201 615 HB3 TYR 73 HB3 TYR 73 2.786 8.833 6.156 616 HD1 TYR 73 HD2 TYR 73 0.877 9.397 2.992 617 HD2 TYR 73 HD1 TYR 73 3.662 11.059 5.786 618 HE1 TYR 73 HE2 TYR 73 0.690 11.589 1.887 619 HE2 TYR 73 HE1 TYR 73 3.466 13.242 4.677 620 HH TYR 73 HH TYR 73 1.044 14.074 2.662 621 H TYR 74 H TYR 74 5.174 7.509 6.208 622 HA TYR 74 HA TYR 74 6.981 9.541 5.250 623 HB2 TYR 74 HB2 TYR 74 7.310 7.517 7.493 624 HB3 TYR 74 HB3 TYR 74 8.439 8.825 7.164 625 HD1 TYR 74 HD1 TYR 74 6.514 11.086 6.596 626 HD2 TYR 74 HD2 TYR 74 6.470 8.091 9.646 627 HE1 TYR 74 HE1 TYR 74 5.262 12.602 8.071 628 HE2 TYR 74 HE2 TYR 74 5.219 9.609 11.110 629 HH TYR 74 HH TYR 74 4.820 11.994 11.406 630 H TRP 75 H TRP 75 6.832 6.046 4.902 631 HA TRP 75 HA TRP 75 9.494 5.776 3.779 632 HB2 TRP 75 HB2 TRP 75 7.169 3.833 3.525 633 HB3 TRP 75 HB3 TRP 75 8.864 3.491 3.217 634 HD1 TRP 75 HD1 TRP 75 9.906 4.827 6.089 635 HE1 TRP 75 HE1 TRP 75 9.511 3.419 8.210 636 HE3 TRP 75 HE3 TRP 75 6.248 1.712 4.332 637 HZ2 TRP 75 HZ2 TRP 75 7.866 1.271 9.024 638 HZ3 TRP 75 HZ3 TRP 75 5.320 0.003 5.837 639 HH2 TRP 75 HH2 TRP 75 6.115 -0.212 8.139 640 H ALA 76 H ALA 76 6.189 6.167 2.532 641 HA ALA 76 HA ALA 76 6.693 5.899 -0.247 642 HB1 ALA 76 HB1 ALA 76 4.426 5.873 0.729 643 HB2 ALA 76 HB2 ALA 76 4.554 7.076 -0.556 644 HB3 ALA 76 HB3 ALA 76 4.577 7.582 1.138 645 H THR 77 H THR 77 6.812 8.685 1.919 646 HA THR 77 HA THR 77 8.034 10.444 -0.090 647 HB THR 77 HB THR 77 8.040 12.151 1.719 648 HG1 THR 77 HG1 THR 77 6.702 10.291 3.398 649 HG21 THR 77 HG21 THR 77 5.351 10.731 1.529 650 HG22 THR 77 HG22 THR 77 5.964 11.928 0.383 651 HG23 THR 77 HG23 THR 77 5.604 12.402 2.044 652 H LYS 78 H LYS 78 9.991 11.783 1.260 653 HA LYS 78 HA LYS 78 12.024 9.709 1.850 654 HB2 LYS 78 HB2 LYS 78 12.346 12.609 0.979 655 HB3 LYS 78 HB3 LYS 78 13.683 11.501 1.307 656 HG2 LYS 78 HG2 LYS 78 12.884 10.012 -0.513 657 HG3 LYS 78 HG3 LYS 78 11.572 11.147 -0.857 658 HD2 LYS 78 HD2 LYS 78 14.551 11.721 -1.115 659 HD3 LYS 78 HD3 LYS 78 13.441 11.403 -2.449 660 HE2 LYS 78 HE2 LYS 78 12.153 13.462 -1.795 661 HE3 LYS 78 HE3 LYS 78 13.381 13.794 -0.571 662 HZ1 LYS 78 HZ1 LYS 78 13.759 15.049 -2.593 663 HZ2 LYS 78 HZ2 LYS 78 13.860 13.623 -3.492 664 HZ3 LYS 78 HZ3 LYS 78 15.027 13.967 -2.322 665 H ASN 79 H ASN 79 10.073 10.515 3.806 666 HA ASN 79 HA ASN 79 11.454 12.177 5.796 667 HB2 ASN 79 HB2 ASN 79 8.697 10.869 5.778 668 HB3 ASN 79 HB3 ASN 79 9.301 11.894 7.079 669 HD21 ASN 79 HD21 ASN 79 7.462 13.250 6.687 670 HD22 ASN 79 HD22 ASN 79 7.451 14.366 5.370 671 H PHE 80 H PHE 80 12.797 9.771 5.219 672 HA PHE 80 HA PHE 80 12.279 7.670 7.080 673 HB2 PHE 80 HB2 PHE 80 14.833 8.340 5.557 674 HB3 PHE 80 HB3 PHE 80 14.525 6.827 6.403 675 HD1 PHE 80 HD1 PHE 80 12.687 5.295 5.579 676 HD2 PHE 80 HD2 PHE 80 13.975 8.694 3.331 677 HE1 PHE 80 HE1 PHE 80 11.627 4.369 3.567 678 HE2 PHE 80 HE2 PHE 80 12.913 7.768 1.320 679 HZ PHE 80 HZ PHE 80 11.732 5.610 1.429 680 H LYS 81 H LYS 81 13.921 10.720 7.378 681 HA LYS 81 HA LYS 81 15.350 10.384 9.769 682 HB2 LYS 81 HB2 LYS 81 15.558 12.453 8.536 683 HB3 LYS 81 HB3 LYS 81 13.827 12.757 8.623 684 HG2 LYS 81 HG2 LYS 81 14.001 13.129 11.059 685 HG3 LYS 81 HG3 LYS 81 15.743 12.819 10.980 686 HD2 LYS 81 HD2 LYS 81 16.029 14.800 9.519 687 HD3 LYS 81 HD3 LYS 81 14.286 15.090 9.561 688 HE2 LYS 81 HE2 LYS 81 14.429 15.457 12.021 689 HE3 LYS 81 HE3 LYS 81 16.177 15.212 11.943 690 HZ1 LYS 81 HZ1 LYS 81 15.498 17.565 11.963 691 HZ2 LYS 81 HZ2 LYS 81 14.719 17.347 10.479 692 HZ3 LYS 81 HZ3 LYS 81 16.394 17.157 10.588 693 H THR 82 H THR 82 11.910 11.121 9.215 694 HA THR 82 HA THR 82 11.214 11.461 11.979 695 HB THR 82 HB THR 82 9.335 10.999 9.615 696 HG1 THR 82 HG1 THR 82 10.467 13.423 10.644 697 HG21 THR 82 HG21 THR 82 7.707 12.285 10.953 698 HG22 THR 82 HG22 THR 82 8.876 12.415 12.270 699 HG23 THR 82 HG23 THR 82 8.221 10.836 11.826 700 H SER 83 H SER 83 10.528 8.854 9.587 701 HA SER 83 HA SER 83 10.386 6.898 11.816 702 HB2 SER 83 HB2 SER 83 8.591 6.996 9.359 703 HB3 SER 83 HB3 SER 83 8.732 5.572 10.392 704 HG SER 83 HG SER 83 7.218 6.512 11.492 705 HA PRO 84 HA PRO 84 13.810 5.313 9.279 706 HB2 PRO 84 HB2 PRO 84 14.584 3.258 10.918 707 HB3 PRO 84 HB3 PRO 84 14.956 4.952 11.266 708 HG2 PRO 84 HG2 PRO 84 12.723 3.238 12.362 709 HG3 PRO 84 HG3 PRO 84 13.816 4.335 13.235 710 HD2 PRO 84 HD2 PRO 84 11.289 5.067 12.540 711 HD3 PRO 84 HD3 PRO 84 12.624 6.239 12.597 712 H LEU 85 H LEU 85 14.077 3.654 7.775 713 HA LEU 85 HA LEU 85 11.724 2.143 7.086 714 HB2 LEU 85 HB2 LEU 85 13.164 3.324 5.428 715 HB3 LEU 85 HB3 LEU 85 14.470 2.210 5.792 716 HG LEU 85 HG LEU 85 13.083 0.321 4.927 717 HD11 LEU 85 HD11 LEU 85 10.845 1.231 5.353 718 HD12 LEU 85 HD12 LEU 85 11.025 0.774 3.663 719 HD13 LEU 85 HD13 LEU 85 11.098 2.477 4.126 720 HD21 LEU 85 HD21 LEU 85 14.701 1.461 3.458 721 HD22 LEU 85 HD22 LEU 85 13.443 2.589 2.940 722 HD23 LEU 85 HD23 LEU 85 13.307 0.871 2.555 723 HA PRO 86 HA PRO 86 13.199 -1.740 9.101 724 HB2 PRO 86 HB2 PRO 86 10.754 -2.901 7.814 725 HB3 PRO 86 HB3 PRO 86 11.219 -2.873 9.522 726 HG2 PRO 86 HG2 PRO 86 9.225 -1.321 8.621 727 HG3 PRO 86 HG3 PRO 86 10.351 -0.727 9.863 728 HD2 PRO 86 HD2 PRO 86 10.375 -0.194 6.878 729 HD3 PRO 86 HD3 PRO 86 10.530 0.966 8.219 730 H ASP 87 H ASP 87 14.157 -3.641 8.333 731 HA ASP 87 HA ASP 87 15.375 -3.521 5.799 732 HB2 ASP 87 HB2 ASP 87 15.224 -5.823 7.790 733 HB3 ASP 87 HB3 ASP 87 16.304 -5.781 6.387 734 H LYS 88 H LYS 88 12.577 -5.382 6.895 735 HA LYS 88 HA LYS 88 12.126 -7.078 4.720 736 HB2 LYS 88 HB2 LYS 88 9.729 -7.075 5.459 737 HB3 LYS 88 HB3 LYS 88 10.869 -7.311 6.780 738 HG2 LYS 88 HG2 LYS 88 10.623 -4.890 7.367 739 HG3 LYS 88 HG3 LYS 88 9.399 -4.739 6.108 740 HD2 LYS 88 HD2 LYS 88 9.143 -6.654 8.467 741 HD3 LYS 88 HD3 LYS 88 8.535 -5.001 8.491 742 HE2 LYS 88 HE2 LYS 88 6.681 -6.427 7.989 743 HE3 LYS 88 HE3 LYS 88 7.095 -5.591 6.497 744 HZ1 LYS 88 HZ1 LYS 88 7.999 -8.339 7.143 745 HZ2 LYS 88 HZ2 LYS 88 8.107 -7.541 5.654 746 HZ3 LYS 88 HZ3 LYS 88 6.600 -7.992 6.263 747 H TRP 89 H TRP 89 11.483 -3.612 4.963 748 HA TRP 89 HA TRP 89 10.162 -3.580 2.323 749 HB2 TRP 89 HB2 TRP 89 10.454 -1.328 4.360 750 HB3 TRP 89 HB3 TRP 89 9.565 -1.228 2.840 751 HD1 TRP 89 HD1 TRP 89 8.918 -1.834 6.392 752 HE1 TRP 89 HE1 TRP 89 6.685 -3.049 6.759 753 HE3 TRP 89 HE3 TRP 89 7.966 -3.341 1.581 754 HZ2 TRP 89 HZ2 TRP 89 4.776 -4.458 5.235 755 HZ3 TRP 89 HZ3 TRP 89 5.914 -4.617 1.121 756 HH2 TRP 89 HH2 TRP 89 4.348 -5.163 2.917 757 H ALA 90 H ALA 90 13.164 -2.758 3.877 758 HA ALA 90 HA ALA 90 14.319 -0.956 2.054 759 HB1 ALA 90 HB1 ALA 90 15.277 -1.484 4.261 760 HB2 ALA 90 HB2 ALA 90 16.478 -1.691 2.985 761 HB3 ALA 90 HB3 ALA 90 15.695 -3.108 3.701 762 H ASN 91 H ASN 91 13.777 -4.390 1.762 763 HA ASN 91 HA ASN 91 15.247 -4.493 -0.820 764 HB2 ASN 91 HB2 ASN 91 15.319 -7.008 -0.388 765 HB3 ASN 91 HB3 ASN 91 16.280 -6.019 0.706 766 HD21 ASN 91 HD21 ASN 91 16.282 -7.437 2.413 767 HD22 ASN 91 HD22 ASN 91 14.871 -7.836 3.316 768 H SER 92 H SER 92 12.201 -3.962 0.113 769 HA SER 92 HA SER 92 10.803 -5.941 -1.558 770 HB2 SER 92 HB2 SER 92 8.745 -5.068 -0.660 771 HB3 SER 92 HB3 SER 92 9.874 -5.158 0.687 772 HG SER 92 HG SER 92 10.288 -2.811 -0.084 773 H LYS 93 H LYS 93 10.005 -5.541 -3.571 774 HA LYS 93 HA LYS 93 10.641 -3.158 -5.031 775 HB2 LYS 93 HB2 LYS 93 10.447 -5.404 -6.088 776 HB3 LYS 93 HB3 LYS 93 8.720 -5.409 -5.740 777 HG2 LYS 93 HG2 LYS 93 8.623 -3.245 -7.181 778 HG3 LYS 93 HG3 LYS 93 10.241 -3.691 -7.724 779 HD2 LYS 93 HD2 LYS 93 8.567 -4.478 -9.321 780 HD3 LYS 93 HD3 LYS 93 9.352 -5.861 -8.550 781 HE2 LYS 93 HE2 LYS 93 7.419 -6.174 -7.075 782 HE3 LYS 93 HE3 LYS 93 6.652 -4.722 -7.721 783 HZ1 LYS 93 HZ1 LYS 93 7.277 -7.161 -9.287 784 HZ2 LYS 93 HZ2 LYS 93 6.480 -5.780 -9.857 785 HZ3 LYS 93 HZ3 LYS 93 5.758 -6.749 -8.675 786 H LEU 94 H LEU 94 7.703 -4.366 -3.432 787 HA LEU 94 HA LEU 94 5.711 -2.691 -4.401 788 HB2 LEU 94 HB2 LEU 94 5.289 -4.589 -2.895 789 HB3 LEU 94 HB3 LEU 94 6.101 -3.749 -1.585 790 HG LEU 94 HG LEU 94 4.257 -1.937 -1.831 791 HD11 LEU 94 HD11 LEU 94 3.363 -2.621 -4.001 792 HD12 LEU 94 HD12 LEU 94 2.120 -2.641 -2.754 793 HD13 LEU 94 HD13 LEU 94 2.828 -4.159 -3.313 794 HD21 LEU 94 HD21 LEU 94 4.405 -3.421 0.088 795 HD22 LEU 94 HD22 LEU 94 3.516 -4.676 -0.780 796 HD23 LEU 94 HD23 LEU 94 2.723 -3.153 -0.367 797 H LEU 95 H LEU 95 7.908 -2.090 -1.652 798 HA LEU 95 HA LEU 95 7.000 0.399 -0.790 799 HB2 LEU 95 HB2 LEU 95 8.677 -0.814 0.474 800 HB3 LEU 95 HB3 LEU 95 9.817 -0.737 -0.862 801 HG LEU 95 HG LEU 95 9.771 1.827 -0.570 802 HD11 LEU 95 HD11 LEU 95 7.713 2.003 0.722 803 HD12 LEU 95 HD12 LEU 95 9.076 2.723 1.572 804 HD13 LEU 95 HD13 LEU 95 8.468 1.141 2.070 805 HD21 LEU 95 HD21 LEU 95 10.919 0.198 1.702 806 HD22 LEU 95 HD22 LEU 95 11.401 1.834 1.232 807 HD23 LEU 95 HD23 LEU 95 11.679 0.484 0.133 808 H LYS 96 H LYS 96 9.347 -0.341 -3.348 809 HA LYS 96 HA LYS 96 10.026 2.360 -3.975 810 HB2 LYS 96 HB2 LYS 96 10.318 -0.114 -5.721 811 HB3 LYS 96 HB3 LYS 96 11.109 1.445 -5.988 812 HG2 LYS 96 HG2 LYS 96 12.178 1.129 -3.675 813 HG3 LYS 96 HG3 LYS 96 11.580 -0.531 -3.733 814 HD2 LYS 96 HD2 LYS 96 13.886 -0.509 -4.456 815 HD3 LYS 96 HD3 LYS 96 12.870 -0.874 -5.852 816 HE2 LYS 96 HE2 LYS 96 13.097 1.420 -6.666 817 HE3 LYS 96 HE3 LYS 96 13.986 1.886 -5.215 818 HZ1 LYS 96 HZ1 LYS 96 15.766 0.419 -5.856 819 HZ2 LYS 96 HZ2 LYS 96 15.433 1.499 -7.115 820 HZ3 LYS 96 HZ3 LYS 96 14.905 -0.102 -7.214 821 H GLN 97 H GLN 97 7.568 0.136 -5.208 822 HA GLN 97 HA GLN 97 6.531 1.739 -7.320 823 HB2 GLN 97 HB2 GLN 97 5.164 -0.378 -5.604 824 HB3 GLN 97 HB3 GLN 97 4.472 0.311 -7.071 825 HG2 GLN 97 HG2 GLN 97 7.028 -1.323 -6.915 826 HG3 GLN 97 HG3 GLN 97 5.455 -1.912 -7.449 827 HE21 GLN 97 HE21 GLN 97 8.208 0.045 -8.296 828 HE22 GLN 97 HE22 GLN 97 7.817 0.237 -9.961 829 H LEU 98 H LEU 98 5.835 1.576 -3.854 830 HA LEU 98 HA LEU 98 3.575 3.314 -3.774 831 HB2 LEU 98 HB2 LEU 98 4.189 1.677 -1.983 832 HB3 LEU 98 HB3 LEU 98 5.596 2.650 -1.592 833 HG LEU 98 HG LEU 98 4.042 4.529 -0.926 834 HD11 LEU 98 HD11 LEU 98 2.070 3.929 -2.230 835 HD12 LEU 98 HD12 LEU 98 1.666 4.039 -0.519 836 HD13 LEU 98 HD13 LEU 98 1.855 2.455 -1.278 837 HD21 LEU 98 HD21 LEU 98 3.426 3.564 1.239 838 HD22 LEU 98 HD22 LEU 98 5.035 3.031 0.759 839 HD23 LEU 98 HD23 LEU 98 3.661 1.932 0.604 840 H GLN 99 H GLN 99 7.051 3.829 -3.333 841 HA GLN 99 HA GLN 99 7.066 6.626 -2.878 842 HB2 GLN 99 HB2 GLN 99 9.164 4.710 -3.963 843 HB3 GLN 99 HB3 GLN 99 9.501 6.424 -3.713 844 HG2 GLN 99 HG2 GLN 99 9.096 6.214 -1.331 845 HG3 GLN 99 HG3 GLN 99 8.559 4.546 -1.528 846 HE21 GLN 99 HE21 GLN 99 10.147 4.017 0.061 847 HE22 GLN 99 HE22 GLN 99 11.805 3.837 -0.380 848 H GLU 100 H GLU 100 7.346 4.735 -5.896 849 HA GLU 100 HA GLU 100 7.677 6.884 -7.692 850 HB2 GLU 100 HB2 GLU 100 6.560 4.086 -8.096 851 HB3 GLU 100 HB3 GLU 100 6.744 5.236 -9.426 852 HG2 GLU 100 HG2 GLU 100 9.144 5.310 -9.118 853 HG3 GLU 100 HG3 GLU 100 9.043 4.350 -7.646 854 H PHE 101 H PHE 101 4.676 5.168 -6.714 855 HA PHE 101 HA PHE 101 2.875 6.804 -8.125 856 HB2 PHE 101 HB2 PHE 101 2.196 4.620 -7.174 857 HB3 PHE 101 HB3 PHE 101 2.346 5.275 -5.545 858 HD1 PHE 101 HD2 PHE 101 0.588 5.955 -8.787 859 HD2 PHE 101 HD1 PHE 101 0.390 6.180 -4.518 860 HE1 PHE 101 HE2 PHE 101 -1.696 6.830 -8.937 861 HE2 PHE 101 HE1 PHE 101 -1.904 7.069 -4.685 862 HZ PHE 101 HZ PHE 101 -2.941 7.392 -6.903 863 H SER 102 H SER 102 4.317 7.192 -4.903 864 HA SER 102 HA SER 102 2.749 9.249 -3.861 865 HB2 SER 102 HB2 SER 102 4.425 8.040 -2.524 866 HB3 SER 102 HB3 SER 102 5.725 8.798 -3.438 867 HG SER 102 HG SER 102 5.561 10.062 -1.700 868 H GLU 103 H GLU 103 5.649 9.568 -5.978 869 HA GLU 103 HA GLU 103 5.301 12.446 -6.241 870 HB2 GLU 103 HB2 GLU 103 7.141 12.373 -7.871 871 HB3 GLU 103 HB3 GLU 103 7.572 11.532 -6.388 872 HG2 GLU 103 HG2 GLU 103 7.296 9.377 -7.446 873 HG3 GLU 103 HG3 GLU 103 6.626 10.121 -8.897 874 H ASN 104 H ASN 104 4.237 9.588 -8.025 875 HA ASN 104 HA ASN 104 3.372 11.103 -10.374 876 HB2 ASN 104 HB2 ASN 104 2.898 8.163 -9.733 877 HB3 ASN 104 HB3 ASN 104 2.619 8.943 -11.284 878 HD21 ASN 104 HD21 ASN 104 5.274 10.474 -10.866 879 HD22 ASN 104 HD22 ASN 104 6.473 9.316 -11.273 880 H LYS 105 H LYS 105 2.042 11.112 -7.415 881 HA LYS 105 HA LYS 105 -0.743 10.734 -7.946 882 HB2 LYS 105 HB2 LYS 105 0.705 12.334 -5.793 883 HB3 LYS 105 HB3 LYS 105 -1.053 12.290 -5.900 884 HG2 LYS 105 HG2 LYS 105 -0.922 9.778 -5.679 885 HG3 LYS 105 HG3 LYS 105 0.807 9.951 -5.371 886 HD2 LYS 105 HD2 LYS 105 -1.283 11.374 -3.675 887 HD3 LYS 105 HD3 LYS 105 -0.777 9.722 -3.332 888 HE2 LYS 105 HE2 LYS 105 0.439 11.258 -1.896 889 HE3 LYS 105 HE3 LYS 105 1.561 10.526 -3.032 890 HZ1 LYS 105 HZ1 LYS 105 1.878 12.934 -2.648 891 HZ2 LYS 105 HZ2 LYS 105 0.390 13.229 -3.396 892 HZ3 LYS 105 HZ3 LYS 105 1.656 12.530 -4.274 893 H GLU 106 H GLU 106 -0.988 11.673 -9.981 894 HA GLU 106 HA GLU 106 -1.217 14.637 -10.116 895 HB2 GLU 106 HB2 GLU 106 -0.372 12.720 -12.341 896 HB3 GLU 106 HB3 GLU 106 -0.561 14.463 -12.519 897 HG2 GLU 106 HG2 GLU 106 1.326 14.873 -11.052 898 HG3 GLU 106 HG3 GLU 106 1.454 13.165 -10.651 899 H LYS 107 H LYS 107 -2.463 11.501 -11.117 900 HA LYS 107 HA LYS 107 -4.767 12.601 -12.539 901 HB2 LYS 107 HB2 LYS 107 -3.770 9.729 -12.259 902 HB3 LYS 107 HB3 LYS 107 -5.160 10.223 -13.226 903 HG2 LYS 107 HG2 LYS 107 -3.706 11.536 -14.701 904 HG3 LYS 107 HG3 LYS 107 -2.303 11.149 -13.695 905 HD2 LYS 107 HD2 LYS 107 -2.554 8.757 -14.258 906 HD3 LYS 107 HD3 LYS 107 -3.975 9.124 -15.243 907 HE2 LYS 107 HE2 LYS 107 -2.602 10.415 -16.796 908 HE3 LYS 107 HE3 LYS 107 -1.179 10.194 -15.775 909 HZ1 LYS 107 HZ1 LYS 107 -1.194 8.670 -17.642 910 HZ2 LYS 107 HZ2 LYS 107 -2.669 8.019 -17.136 911 HZ3 LYS 107 HZ3 LYS 107 -1.287 7.828 -16.179 912 H GLU 108 H GLU 108 -5.949 13.402 -10.818 913 HA GLU 108 HA GLU 108 -7.252 11.434 -9.015 914 HB2 GLU 108 HB2 GLU 108 -7.761 13.334 -7.518 915 HB3 GLU 108 HB3 GLU 108 -6.026 13.161 -7.765 916 HG2 GLU 108 HG2 GLU 108 -5.981 15.055 -9.275 917 HG3 GLU 108 HG3 GLU 108 -7.741 15.171 -9.265 918 H ILE 109 H ILE 109 -9.539 11.777 -8.552 919 HA ILE 109 HA ILE 109 -11.084 13.045 -10.759 920 HB ILE 109 HB ILE 109 -11.963 10.722 -8.976 921 HG12 ILE 109 HG12 ILE 109 -10.206 9.977 -10.530 922 HG13 ILE 109 HG13 ILE 109 -11.753 9.296 -11.010 923 HG21 ILE 109 HG21 ILE 109 -13.898 10.509 -10.533 924 HG22 ILE 109 HG22 ILE 109 -13.371 11.970 -11.374 925 HG23 ILE 109 HG23 ILE 109 -13.891 12.061 -9.690 926 HD11 ILE 109 HD11 ILE 109 -10.485 9.983 -12.937 927 HD12 ILE 109 HD12 ILE 109 -10.338 11.624 -12.308 928 HD13 ILE 109 HD13 ILE 109 -11.920 10.997 -12.787 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -1.789 -11.338 17.994 2 H2 MET 1 H2 MET 1 -1.397 -9.755 17.557 3 H3 MET 1 H3 MET 1 -1.665 -10.144 19.178 4 HA MET 1 HA MET 1 0.526 -11.205 17.497 5 HB2 MET 1 HB2 MET 1 2.043 -9.768 18.844 6 HB3 MET 1 HB3 MET 1 0.867 -8.818 17.949 7 HG2 MET 1 HG2 MET 1 -0.476 -8.545 20.000 8 HG3 MET 1 HG3 MET 1 0.721 -9.486 20.895 9 HE1 MET 1 HE1 MET 1 1.277 -5.784 22.186 10 HE2 MET 1 HE2 MET 1 0.915 -7.441 22.668 11 HE3 MET 1 HE3 MET 1 -0.264 -6.515 21.735 12 H GLY 2 H GLY 2 2.031 -12.557 18.583 13 HA2 GLY 2 HA2 GLY 2 2.919 -13.911 20.223 14 HA3 GLY 2 HA3 GLY 2 1.824 -13.194 21.387 15 H HIS 3 H HIS 3 1.956 -15.533 22.087 16 HA HIS 3 HA HIS 3 0.461 -17.499 20.580 17 HB2 HIS 3 HB2 HIS 3 0.812 -18.976 22.590 18 HB3 HIS 3 HB3 HIS 3 2.294 -18.313 21.917 19 HD1 HIS 3 HD1 HIS 3 -0.017 -17.869 24.892 20 HD2 HIS 3 HD2 HIS 3 3.851 -16.902 23.720 21 HE1 HIS 3 HE1 HIS 3 1.081 -16.915 26.932 22 HE2 HIS 3 HE2 HIS 3 3.332 -16.144 26.137 23 H HIS 4 H HIS 4 -1.688 -17.676 20.534 24 HA HIS 4 HA HIS 4 -3.319 -17.065 22.946 25 HB2 HIS 4 HB2 HIS 4 -4.045 -16.557 20.024 26 HB3 HIS 4 HB3 HIS 4 -5.223 -16.516 21.330 27 HD1 HIS 4 HD1 HIS 4 -5.464 -14.334 22.571 28 HD2 HIS 4 HD2 HIS 4 -2.044 -14.437 20.211 29 HE1 HIS 4 HE1 HIS 4 -4.520 -12.019 22.658 30 HE2 HIS 4 HE2 HIS 4 -2.358 -12.161 21.398 31 H HIS 5 H HIS 5 -4.539 -18.758 23.658 32 HA HIS 5 HA HIS 5 -5.225 -20.886 23.992 33 HB2 HIS 5 HB2 HIS 5 -5.626 -20.858 20.971 34 HB3 HIS 5 HB3 HIS 5 -6.175 -22.160 22.020 35 HD1 HIS 5 HD1 HIS 5 -8.050 -21.490 23.804 36 HD2 HIS 5 HD2 HIS 5 -7.385 -18.708 20.792 37 HE1 HIS 5 HE1 HIS 5 -10.056 -19.989 23.832 38 HE2 HIS 5 HE2 HIS 5 -9.735 -18.468 21.856 39 H HIS 6 H HIS 6 -4.828 -23.348 22.774 40 HA HIS 6 HA HIS 6 -2.061 -23.916 23.121 41 HB2 HIS 6 HB2 HIS 6 -4.274 -25.565 21.828 42 HB3 HIS 6 HB3 HIS 6 -2.646 -26.181 22.110 43 HD1 HIS 6 HD1 HIS 6 -5.872 -25.563 23.802 44 HD2 HIS 6 HD2 HIS 6 -1.983 -26.536 24.887 45 HE1 HIS 6 HE1 HIS 6 -6.019 -26.357 26.174 46 HE2 HIS 6 HE2 HIS 6 -3.695 -27.118 26.735 47 H HIS 7 H HIS 7 -0.626 -24.929 21.438 48 HA HIS 7 HA HIS 7 -0.394 -23.238 19.115 49 HB2 HIS 7 HB2 HIS 7 1.227 -25.640 20.052 50 HB3 HIS 7 HB3 HIS 7 1.626 -24.699 18.614 51 HD1 HIS 7 HD1 HIS 7 2.108 -24.756 22.248 52 HD2 HIS 7 HD2 HIS 7 2.305 -21.927 19.207 53 HE1 HIS 7 HE1 HIS 7 3.365 -22.816 23.216 54 HE2 HIS 7 HE2 HIS 7 3.680 -21.239 21.285 55 H HIS 8 H HIS 8 -1.702 -23.521 17.437 56 HA HIS 8 HA HIS 8 -1.841 -26.095 16.060 57 HB2 HIS 8 HB2 HIS 8 -4.283 -26.110 15.828 58 HB3 HIS 8 HB3 HIS 8 -3.847 -26.154 17.531 59 HD1 HIS 8 HD1 HIS 8 -3.772 -23.472 18.526 60 HD2 HIS 8 HD2 HIS 8 -6.400 -24.429 15.465 61 HE1 HIS 8 HE1 HIS 8 -5.531 -21.693 18.587 62 HE2 HIS 8 HE2 HIS 8 -7.216 -22.417 16.877 63 H SER 9 H SER 9 -2.428 -22.606 16.100 64 HA SER 9 HA SER 9 -2.454 -20.973 14.524 65 HB2 SER 9 HB2 SER 9 -0.623 -22.941 13.078 66 HB3 SER 9 HB3 SER 9 -0.827 -21.252 12.613 67 HG SER 9 HG SER 9 0.806 -21.023 13.946 68 H HIS 10 H HIS 10 -2.450 -21.035 11.652 69 HA HIS 10 HA HIS 10 -4.211 -23.085 10.665 70 HB2 HIS 10 HB2 HIS 10 -5.977 -21.532 9.760 71 HB3 HIS 10 HB3 HIS 10 -5.987 -21.693 11.507 72 HD1 HIS 10 HD1 HIS 10 -5.039 -19.602 12.871 73 HD2 HIS 10 HD2 HIS 10 -5.729 -18.935 8.831 74 HE1 HIS 10 HE1 HIS 10 -5.087 -17.112 12.602 75 HE2 HIS 10 HE2 HIS 10 -5.737 -16.747 10.203 76 H MET 11 H MET 11 -2.354 -23.515 9.334 77 HA MET 11 HA MET 11 -1.729 -21.844 7.103 78 HB2 MET 11 HB2 MET 11 -0.277 -23.759 7.767 79 HB3 MET 11 HB3 MET 11 -1.565 -24.878 7.343 80 HG2 MET 11 HG2 MET 11 -1.388 -24.205 4.985 81 HG3 MET 11 HG3 MET 11 -0.124 -23.049 5.404 82 HE1 MET 11 HE1 MET 11 1.919 -25.759 3.467 83 HE2 MET 11 HE2 MET 11 1.588 -24.037 3.638 84 HE3 MET 11 HE3 MET 11 0.313 -25.132 3.091 85 H ILE 12 H ILE 12 -4.240 -23.941 7.938 86 HA ILE 12 HA ILE 12 -5.683 -24.424 5.587 87 HB ILE 12 HB ILE 12 -6.737 -23.980 8.425 88 HG12 ILE 12 HG12 ILE 12 -5.916 -26.621 7.121 89 HG13 ILE 12 HG13 ILE 12 -4.923 -25.734 8.272 90 HG21 ILE 12 HG21 ILE 12 -8.657 -25.402 7.767 91 HG22 ILE 12 HG22 ILE 12 -8.037 -25.481 6.117 92 HG23 ILE 12 HG23 ILE 12 -8.569 -23.938 6.787 93 HD11 ILE 12 HD11 ILE 12 -6.062 -27.591 9.331 94 HD12 ILE 12 HD12 ILE 12 -7.628 -26.954 8.835 95 HD13 ILE 12 HD13 ILE 12 -6.638 -26.062 9.995 96 H LYS 13 H LYS 13 -7.134 -23.202 4.445 97 HA LYS 13 HA LYS 13 -8.214 -21.528 3.477 98 HB2 LYS 13 HB2 LYS 13 -8.444 -20.303 6.244 99 HB3 LYS 13 HB3 LYS 13 -9.387 -19.868 4.827 100 HG2 LYS 13 HG2 LYS 13 -10.467 -22.070 4.819 101 HG3 LYS 13 HG3 LYS 13 -9.470 -22.574 6.192 102 HD2 LYS 13 HD2 LYS 13 -10.495 -20.776 7.576 103 HD3 LYS 13 HD3 LYS 13 -11.512 -20.313 6.210 104 HE2 LYS 13 HE2 LYS 13 -12.554 -22.575 6.264 105 HE3 LYS 13 HE3 LYS 13 -11.591 -22.969 7.694 106 HZ1 LYS 13 HZ1 LYS 13 -13.775 -22.231 8.334 107 HZ2 LYS 13 HZ2 LYS 13 -13.600 -20.798 7.457 108 HZ3 LYS 13 HZ3 LYS 13 -12.639 -21.077 8.816 109 H ARG 14 H ARG 14 -7.033 -20.335 2.118 110 HA ARG 14 HA ARG 14 -5.472 -18.031 3.157 111 HB2 ARG 14 HB2 ARG 14 -5.158 -19.419 0.451 112 HB3 ARG 14 HB3 ARG 14 -4.205 -18.061 1.039 113 HG2 ARG 14 HG2 ARG 14 -3.799 -19.944 3.045 114 HG3 ARG 14 HG3 ARG 14 -3.936 -20.963 1.614 115 HD2 ARG 14 HD2 ARG 14 -1.602 -20.447 1.936 116 HD3 ARG 14 HD3 ARG 14 -2.143 -19.534 0.524 117 HE ARG 14 HE ARG 14 -1.749 -18.402 3.235 118 HH11 ARG 14 HH11 ARG 14 -1.708 -17.904 -0.203 119 HH12 ARG 14 HH12 ARG 14 -1.148 -16.274 -0.045 120 HH21 ARG 14 HH21 ARG 14 -1.048 -16.339 3.384 121 HH22 ARG 14 HH22 ARG 14 -0.779 -15.419 1.946 122 H THR 15 H THR 15 -7.427 -19.016 0.285 123 HA THR 15 HA THR 15 -8.968 -16.489 0.486 124 HB THR 15 HB THR 15 -9.087 -16.329 -2.020 125 HG1 THR 15 HG1 THR 15 -7.302 -17.542 -3.122 126 HG21 THR 15 HG21 THR 15 -6.839 -15.402 -2.438 127 HG22 THR 15 HG22 THR 15 -6.230 -16.187 -0.979 128 HG23 THR 15 HG23 THR 15 -7.436 -14.906 -0.851 129 H ASN 16 H ASN 16 -8.900 -19.522 -1.467 130 HA ASN 16 HA ASN 16 -10.474 -20.947 -2.247 131 HB2 ASN 16 HB2 ASN 16 -10.674 -21.365 0.261 132 HB3 ASN 16 HB3 ASN 16 -12.067 -20.294 0.278 133 HD21 ASN 16 HD21 ASN 16 -14.027 -21.063 -0.514 134 HD22 ASN 16 HD22 ASN 16 -14.288 -22.718 -0.933 135 H GLU 17 H GLU 17 -10.673 -18.057 -2.894 136 HA GLU 17 HA GLU 17 -13.443 -17.849 -3.902 137 HB2 GLU 17 HB2 GLU 17 -13.692 -15.607 -2.961 138 HB3 GLU 17 HB3 GLU 17 -13.297 -16.714 -1.657 139 HG2 GLU 17 HG2 GLU 17 -10.851 -15.925 -1.987 140 HG3 GLU 17 HG3 GLU 17 -11.534 -14.603 -2.932 141 HA PRO 18 HA PRO 18 -11.509 -15.965 -7.594 142 HB2 PRO 18 HB2 PRO 18 -13.105 -13.664 -7.966 143 HB3 PRO 18 HB3 PRO 18 -13.471 -15.275 -8.571 144 HG2 PRO 18 HG2 PRO 18 -14.459 -13.919 -6.083 145 HG3 PRO 18 HG3 PRO 18 -15.357 -14.926 -7.240 146 HD2 PRO 18 HD2 PRO 18 -14.568 -15.932 -4.880 147 HD3 PRO 18 HD3 PRO 18 -14.491 -16.936 -6.347 148 H LEU 19 H LEU 19 -9.997 -14.471 -8.154 149 HA LEU 19 HA LEU 19 -8.530 -13.030 -6.244 150 HB2 LEU 19 HB2 LEU 19 -8.381 -13.580 -9.119 151 HB3 LEU 19 HB3 LEU 19 -7.898 -11.930 -8.825 152 HG LEU 19 HG LEU 19 -6.088 -13.825 -8.874 153 HD11 LEU 19 HD11 LEU 19 -5.531 -11.531 -8.339 154 HD12 LEU 19 HD12 LEU 19 -4.655 -12.622 -7.261 155 HD13 LEU 19 HD13 LEU 19 -6.077 -11.746 -6.673 156 HD21 LEU 19 HD21 LEU 19 -6.942 -14.111 -5.972 157 HD22 LEU 19 HD22 LEU 19 -5.568 -14.895 -6.758 158 HD23 LEU 19 HD23 LEU 19 -7.211 -15.320 -7.236 159 H ASP 20 H ASP 20 -11.135 -11.987 -8.339 160 HA ASP 20 HA ASP 20 -11.162 -9.234 -8.063 161 HB2 ASP 20 HB2 ASP 20 -12.783 -10.475 -9.435 162 HB3 ASP 20 HB3 ASP 20 -13.526 -11.156 -7.990 163 H LYS 21 H LYS 21 -12.540 -11.619 -5.753 164 HA LYS 21 HA LYS 21 -13.535 -9.735 -3.868 165 HB2 LYS 21 HB2 LYS 21 -12.805 -12.664 -3.515 166 HB3 LYS 21 HB3 LYS 21 -13.583 -11.701 -2.264 167 HG2 LYS 21 HG2 LYS 21 -15.493 -11.302 -3.856 168 HG3 LYS 21 HG3 LYS 21 -14.731 -12.441 -4.974 169 HD2 LYS 21 HD2 LYS 21 -14.890 -14.229 -3.272 170 HD3 LYS 21 HD3 LYS 21 -15.606 -13.094 -2.124 171 HE2 LYS 21 HE2 LYS 21 -17.548 -12.817 -3.657 172 HE3 LYS 21 HE3 LYS 21 -16.831 -14.000 -4.755 173 HZ1 LYS 21 HZ1 LYS 21 -17.670 -14.509 -1.954 174 HZ2 LYS 21 HZ2 LYS 21 -16.971 -15.644 -2.987 175 HZ3 LYS 21 HZ3 LYS 21 -18.494 -15.007 -3.346 176 H LYS 22 H LYS 22 -10.471 -11.584 -3.954 177 HA LYS 22 HA LYS 22 -9.403 -10.743 -1.478 178 HB2 LYS 22 HB2 LYS 22 -8.484 -12.638 -2.838 179 HB3 LYS 22 HB3 LYS 22 -7.869 -11.476 -4.013 180 HG2 LYS 22 HG2 LYS 22 -6.478 -10.467 -2.116 181 HG3 LYS 22 HG3 LYS 22 -6.968 -11.853 -1.135 182 HD2 LYS 22 HD2 LYS 22 -5.965 -13.357 -2.900 183 HD3 LYS 22 HD3 LYS 22 -5.373 -11.905 -3.715 184 HE2 LYS 22 HE2 LYS 22 -4.009 -11.342 -1.770 185 HE3 LYS 22 HE3 LYS 22 -4.630 -12.738 -0.894 186 HZ1 LYS 22 HZ1 LYS 22 -2.977 -12.793 -3.348 187 HZ2 LYS 22 HZ2 LYS 22 -3.627 -14.154 -2.592 188 HZ3 LYS 22 HZ3 LYS 22 -2.477 -13.210 -1.789 189 H ARG 23 H ARG 23 -8.835 -9.444 -4.769 190 HA ARG 23 HA ARG 23 -7.183 -7.266 -4.151 191 HB2 ARG 23 HB2 ARG 23 -9.135 -7.745 -6.424 192 HB3 ARG 23 HB3 ARG 23 -8.188 -6.261 -6.336 193 HG2 ARG 23 HG2 ARG 23 -6.127 -7.427 -6.588 194 HG3 ARG 23 HG3 ARG 23 -6.883 -9.001 -6.304 195 HD2 ARG 23 HD2 ARG 23 -8.134 -8.782 -8.420 196 HD3 ARG 23 HD3 ARG 23 -7.392 -7.206 -8.708 197 HE ARG 23 HE ARG 23 -5.248 -8.852 -8.477 198 HH11 ARG 23 HH11 ARG 23 -8.064 -8.942 -10.476 199 HH12 ARG 23 HH12 ARG 23 -7.283 -9.832 -11.731 200 HH21 ARG 23 HH21 ARG 23 -4.246 -9.947 -10.124 201 HH22 ARG 23 HH22 ARG 23 -5.128 -10.376 -11.541 202 H ALA 24 H ALA 24 -10.752 -7.380 -4.423 203 HA ALA 24 HA ALA 24 -11.319 -4.671 -3.930 204 HB1 ALA 24 HB1 ALA 24 -12.991 -6.259 -4.801 205 HB2 ALA 24 HB2 ALA 24 -13.604 -5.427 -3.369 206 HB3 ALA 24 HB3 ALA 24 -13.026 -7.092 -3.247 207 H ARG 25 H ARG 25 -10.892 -7.381 -1.678 208 HA ARG 25 HA ARG 25 -11.500 -6.029 0.740 209 HB2 ARG 25 HB2 ARG 25 -11.483 -8.499 0.503 210 HB3 ARG 25 HB3 ARG 25 -9.737 -8.472 0.278 211 HG2 ARG 25 HG2 ARG 25 -9.485 -7.556 2.596 212 HG3 ARG 25 HG3 ARG 25 -11.236 -7.679 2.807 213 HD2 ARG 25 HD2 ARG 25 -9.314 -9.982 2.304 214 HD3 ARG 25 HD3 ARG 25 -10.109 -9.597 3.832 215 HE ARG 25 HE ARG 25 -12.257 -10.030 2.593 216 HH11 ARG 25 HH11 ARG 25 -9.357 -11.652 1.617 217 HH12 ARG 25 HH12 ARG 25 -10.224 -12.998 0.969 218 HH21 ARG 25 HH21 ARG 25 -13.315 -11.761 1.757 219 HH22 ARG 25 HH22 ARG 25 -12.419 -13.052 1.033 220 H LEU 26 H LEU 26 -8.392 -6.492 -0.996 221 HA LEU 26 HA LEU 26 -6.781 -5.383 1.110 222 HB2 LEU 26 HB2 LEU 26 -6.026 -5.715 -1.810 223 HB3 LEU 26 HB3 LEU 26 -4.929 -5.406 -0.480 224 HG LEU 26 HG LEU 26 -6.411 -8.000 -1.089 225 HD11 LEU 26 HD11 LEU 26 -4.332 -7.603 -2.316 226 HD12 LEU 26 HD12 LEU 26 -4.173 -8.951 -1.192 227 HD13 LEU 26 HD13 LEU 26 -3.458 -7.384 -0.797 228 HD21 LEU 26 HD21 LEU 26 -6.588 -7.641 1.334 229 HD22 LEU 26 HD22 LEU 26 -4.850 -7.347 1.436 230 HD23 LEU 26 HD23 LEU 26 -5.453 -8.944 0.978 231 H ILE 27 H ILE 27 -8.041 -4.056 -1.961 232 HA ILE 27 HA ILE 27 -7.155 -1.397 -1.804 233 HB ILE 27 HB ILE 27 -9.808 -2.437 -2.933 234 HG12 ILE 27 HG12 ILE 27 -7.214 -1.849 -4.432 235 HG13 ILE 27 HG13 ILE 27 -7.714 -3.454 -3.934 236 HG21 ILE 27 HG21 ILE 27 -8.435 0.227 -3.489 237 HG22 ILE 27 HG22 ILE 27 -9.945 0.000 -2.605 238 HG23 ILE 27 HG23 ILE 27 -9.870 -0.375 -4.326 239 HD11 ILE 27 HD11 ILE 27 -8.158 -3.168 -6.256 240 HD12 ILE 27 HD12 ILE 27 -9.065 -1.681 -5.961 241 HD13 ILE 27 HD13 ILE 27 -9.704 -3.232 -5.407 242 H TYR 28 H TYR 28 -9.971 -2.968 -0.350 243 HA TYR 28 HA TYR 28 -11.255 -0.782 0.859 244 HB2 TYR 28 HB2 TYR 28 -12.359 -2.917 0.599 245 HB3 TYR 28 HB3 TYR 28 -11.138 -3.741 1.551 246 HD1 TYR 28 HD2 TYR 28 -13.853 -1.157 1.841 247 HD2 TYR 28 HD1 TYR 28 -11.523 -4.125 3.856 248 HE1 TYR 28 HE2 TYR 28 -15.286 -0.941 3.825 249 HE2 TYR 28 HE1 TYR 28 -12.958 -3.910 5.836 250 HH TYR 28 HH TYR 28 -14.492 -2.469 6.852 251 H GLN 29 H GLN 29 -8.895 -3.074 2.312 252 HA GLN 29 HA GLN 29 -8.862 -1.869 4.904 253 HB2 GLN 29 HB2 GLN 29 -6.893 -3.789 3.623 254 HB3 GLN 29 HB3 GLN 29 -6.943 -3.393 5.341 255 HG2 GLN 29 HG2 GLN 29 -9.111 -4.433 5.587 256 HG3 GLN 29 HG3 GLN 29 -9.249 -4.676 3.843 257 HE21 GLN 29 HE21 GLN 29 -7.863 -6.250 2.844 258 HE22 GLN 29 HE22 GLN 29 -7.160 -7.531 3.760 259 H SER 30 H SER 30 -6.994 -1.229 2.017 260 HA SER 30 HA SER 30 -4.875 0.278 3.269 261 HB2 SER 30 HB2 SER 30 -4.303 1.030 1.022 262 HB3 SER 30 HB3 SER 30 -4.672 -0.688 0.977 263 HG SER 30 HG SER 30 -5.631 0.928 -0.643 264 H ARG 31 H ARG 31 -8.087 0.998 2.078 265 HA ARG 31 HA ARG 31 -7.839 3.861 2.506 266 HB2 ARG 31 HB2 ARG 31 -10.276 2.147 1.884 267 HB3 ARG 31 HB3 ARG 31 -10.248 3.913 1.906 268 HG2 ARG 31 HG2 ARG 31 -8.409 3.711 0.079 269 HG3 ARG 31 HG3 ARG 31 -8.927 2.030 -0.066 270 HD2 ARG 31 HD2 ARG 31 -10.080 3.358 -1.738 271 HD3 ARG 31 HD3 ARG 31 -11.260 2.844 -0.521 272 HE ARG 31 HE ARG 31 -10.139 5.382 0.127 273 HH11 ARG 31 HH11 ARG 31 -12.531 3.961 -1.935 274 HH12 ARG 31 HH12 ARG 31 -13.413 5.436 -2.080 275 HH21 ARG 31 HH21 ARG 31 -11.265 7.218 -0.076 276 HH22 ARG 31 HH22 ARG 31 -12.701 7.262 -1.040 277 H LYS 32 H LYS 32 -8.796 1.063 4.457 278 HA LYS 32 HA LYS 32 -10.080 2.761 6.482 279 HB2 LYS 32 HB2 LYS 32 -9.182 -0.120 6.952 280 HB3 LYS 32 HB3 LYS 32 -10.446 0.779 7.782 281 HG2 LYS 32 HG2 LYS 32 -10.534 -0.420 5.003 282 HG3 LYS 32 HG3 LYS 32 -11.471 -0.899 6.414 283 HD2 LYS 32 HD2 LYS 32 -11.755 1.700 4.860 284 HD3 LYS 32 HD3 LYS 32 -12.842 0.313 4.794 285 HE2 LYS 32 HE2 LYS 32 -12.350 2.083 7.216 286 HE3 LYS 32 HE3 LYS 32 -13.790 2.089 6.200 287 HZ1 LYS 32 HZ1 LYS 32 -12.860 -0.203 7.845 288 HZ2 LYS 32 HZ2 LYS 32 -14.270 -0.158 6.911 289 HZ3 LYS 32 HZ3 LYS 32 -14.112 0.853 8.255 290 H ARG 33 H ARG 33 -8.738 4.083 7.570 291 HA ARG 33 HA ARG 33 -6.206 3.131 8.724 292 HB2 ARG 33 HB2 ARG 33 -6.338 5.573 6.875 293 HB3 ARG 33 HB3 ARG 33 -4.960 5.155 7.876 294 HG2 ARG 33 HG2 ARG 33 -5.974 3.701 5.417 295 HG3 ARG 33 HG3 ARG 33 -4.450 4.563 5.610 296 HD2 ARG 33 HD2 ARG 33 -5.246 1.831 6.626 297 HD3 ARG 33 HD3 ARG 33 -3.805 2.302 5.729 298 HE ARG 33 HE ARG 33 -3.820 3.488 8.317 299 HH11 ARG 33 HH11 ARG 33 -3.150 0.467 6.755 300 HH12 ARG 33 HH12 ARG 33 -2.235 -0.127 8.094 301 HH21 ARG 33 HH21 ARG 33 -2.721 2.675 10.012 302 HH22 ARG 33 HH22 ARG 33 -2.004 1.102 9.906 303 H GLY 34 H GLY 34 -5.241 4.847 10.172 304 HA2 GLY 34 HA2 GLY 34 -7.072 6.186 11.876 305 HA3 GLY 34 HA3 GLY 34 -5.329 6.404 11.848 306 H ILE 35 H ILE 35 -4.838 7.419 9.350 307 HA ILE 35 HA ILE 35 -6.293 10.010 9.336 308 HB ILE 35 HB ILE 35 -4.315 11.028 8.274 309 HG12 ILE 35 HG12 ILE 35 -2.978 8.294 8.596 310 HG13 ILE 35 HG13 ILE 35 -3.429 9.035 7.068 311 HG21 ILE 35 HG21 ILE 35 -2.807 10.976 10.225 312 HG22 ILE 35 HG22 ILE 35 -3.624 9.537 10.832 313 HG23 ILE 35 HG23 ILE 35 -4.497 11.069 10.722 314 HD11 ILE 35 HD11 ILE 35 -1.789 10.811 7.460 315 HD12 ILE 35 HD12 ILE 35 -1.062 9.204 7.449 316 HD13 ILE 35 HD13 ILE 35 -1.330 10.036 8.979 317 H LEU 36 H LEU 36 -7.243 10.758 7.540 318 HA LEU 36 HA LEU 36 -7.621 9.136 5.202 319 HB2 LEU 36 HB2 LEU 36 -8.552 11.942 5.887 320 HB3 LEU 36 HB3 LEU 36 -8.919 11.176 4.355 321 HG LEU 36 HG LEU 36 -10.857 10.964 5.749 322 HD11 LEU 36 HD11 LEU 36 -11.199 8.549 5.837 323 HD12 LEU 36 HD12 LEU 36 -9.462 8.278 5.666 324 HD13 LEU 36 HD13 LEU 36 -10.374 9.029 4.355 325 HD21 LEU 36 HD21 LEU 36 -9.133 9.708 7.910 326 HD22 LEU 36 HD22 LEU 36 -10.891 9.890 7.954 327 HD23 LEU 36 HD23 LEU 36 -9.858 11.317 7.952 328 H GLU 37 H GLU 37 -5.232 11.388 6.091 329 HA GLU 37 HA GLU 37 -4.329 12.438 3.660 330 HB2 GLU 37 HB2 GLU 37 -2.597 11.445 5.967 331 HB3 GLU 37 HB3 GLU 37 -2.110 12.606 4.737 332 HG2 GLU 37 HG2 GLU 37 -4.302 13.051 6.795 333 HG3 GLU 37 HG3 GLU 37 -2.643 13.633 6.939 334 H THR 38 H THR 38 -3.418 9.360 5.231 335 HA THR 38 HA THR 38 -1.882 8.338 3.039 336 HB THR 38 HB THR 38 -3.006 6.808 5.427 337 HG1 THR 38 HG1 THR 38 -0.378 7.345 5.585 338 HG21 THR 38 HG21 THR 38 -1.115 5.245 5.025 339 HG22 THR 38 HG22 THR 38 -0.695 6.131 3.559 340 HG23 THR 38 HG23 THR 38 -2.232 5.268 3.656 341 H ASP 39 H ASP 39 -5.307 8.058 3.957 342 HA ASP 39 HA ASP 39 -6.202 6.025 2.261 343 HB2 ASP 39 HB2 ASP 39 -7.768 7.052 3.794 344 HB3 ASP 39 HB3 ASP 39 -7.521 8.642 3.095 345 H LEU 40 H LEU 40 -5.747 9.503 1.449 346 HA LEU 40 HA LEU 40 -6.459 9.442 -1.271 347 HB2 LEU 40 HB2 LEU 40 -4.405 11.207 0.113 348 HB3 LEU 40 HB3 LEU 40 -5.073 11.519 -1.485 349 HG LEU 40 HG LEU 40 -6.657 11.512 1.122 350 HD11 LEU 40 HD11 LEU 40 -5.826 13.848 -0.626 351 HD12 LEU 40 HD12 LEU 40 -5.167 13.445 0.962 352 HD13 LEU 40 HD13 LEU 40 -6.851 13.931 0.810 353 HD21 LEU 40 HD21 LEU 40 -8.060 10.766 -0.742 354 HD22 LEU 40 HD22 LEU 40 -7.586 12.175 -1.696 355 HD23 LEU 40 HD23 LEU 40 -8.536 12.382 -0.221 356 H LEU 41 H LEU 41 -3.394 8.614 0.261 357 HA LEU 41 HA LEU 41 -1.822 8.359 -2.127 358 HB2 LEU 41 HB2 LEU 41 -0.768 8.795 0.028 359 HB3 LEU 41 HB3 LEU 41 -1.430 7.313 0.699 360 HG LEU 41 HG LEU 41 0.024 5.981 -0.848 361 HD11 LEU 41 HD11 LEU 41 0.256 7.596 -2.678 362 HD12 LEU 41 HD12 LEU 41 1.831 7.052 -2.101 363 HD13 LEU 41 HD13 LEU 41 1.231 8.648 -1.642 364 HD21 LEU 41 HD21 LEU 41 1.553 7.940 0.900 365 HD22 LEU 41 HD22 LEU 41 2.139 6.374 0.331 366 HD23 LEU 41 HD23 LEU 41 0.776 6.449 1.445 367 H LEU 42 H LEU 42 -3.192 5.904 0.075 368 HA LEU 42 HA LEU 42 -2.325 3.690 -1.521 369 HB2 LEU 42 HB2 LEU 42 -4.059 3.805 0.968 370 HB3 LEU 42 HB3 LEU 42 -3.525 2.313 0.211 371 HG LEU 42 HG LEU 42 -1.759 4.397 1.554 372 HD11 LEU 42 HD11 LEU 42 -1.215 2.594 3.131 373 HD12 LEU 42 HD12 LEU 42 -2.332 1.507 2.299 374 HD13 LEU 42 HD13 LEU 42 -2.943 2.944 3.126 375 HD21 LEU 42 HD21 LEU 42 0.156 2.933 1.050 376 HD22 LEU 42 HD22 LEU 42 -0.590 3.543 -0.423 377 HD23 LEU 42 HD23 LEU 42 -0.887 1.879 0.089 378 H SER 43 H SER 43 -5.361 5.452 -1.304 379 HA SER 43 HA SER 43 -7.102 3.505 -2.426 380 HB2 SER 43 HB2 SER 43 -7.982 5.526 -1.324 381 HB3 SER 43 HB3 SER 43 -7.296 6.547 -2.587 382 HG SER 43 HG SER 43 -9.575 6.025 -2.817 383 H GLY 44 H GLY 44 -5.412 6.247 -4.000 384 HA2 GLY 44 HA2 GLY 44 -6.060 5.600 -6.683 385 HA3 GLY 44 HA3 GLY 44 -4.729 6.624 -6.164 386 H PHE 45 H PHE 45 -3.264 4.750 -4.661 387 HA PHE 45 HA PHE 45 -1.721 3.358 -6.560 388 HB2 PHE 45 HB2 PHE 45 -0.864 4.113 -4.351 389 HB3 PHE 45 HB3 PHE 45 -1.887 2.934 -3.542 390 HD1 PHE 45 HD1 PHE 45 1.119 3.342 -5.726 391 HD2 PHE 45 HD2 PHE 45 -1.217 0.608 -3.380 392 HE1 PHE 45 HE1 PHE 45 2.886 1.655 -5.893 393 HE2 PHE 45 HE2 PHE 45 0.582 -1.058 -3.555 394 HZ PHE 45 HZ PHE 45 2.632 -0.535 -4.813 395 H ALA 46 H ALA 46 -4.310 2.234 -4.399 396 HA ALA 46 HA ALA 46 -3.960 -0.555 -4.950 397 HB1 ALA 46 HB1 ALA 46 -4.915 0.293 -2.838 398 HB2 ALA 46 HB2 ALA 46 -5.962 -0.887 -3.621 399 HB3 ALA 46 HB3 ALA 46 -6.351 0.835 -3.711 400 H ALA 47 H ALA 47 -6.325 1.870 -6.059 401 HA ALA 47 HA ALA 47 -7.970 0.182 -7.616 402 HB1 ALA 47 HB1 ALA 47 -8.793 2.259 -8.654 403 HB2 ALA 47 HB2 ALA 47 -7.423 3.149 -7.980 404 HB3 ALA 47 HB3 ALA 47 -8.634 2.443 -6.907 405 H LYS 48 H LYS 48 -4.928 1.759 -8.343 406 HA LYS 48 HA LYS 48 -5.026 1.287 -11.218 407 HB2 LYS 48 HB2 LYS 48 -4.070 3.370 -10.344 408 HB3 LYS 48 HB3 LYS 48 -2.883 2.466 -9.410 409 HG2 LYS 48 HG2 LYS 48 -1.852 1.659 -11.520 410 HG3 LYS 48 HG3 LYS 48 -3.033 2.592 -12.446 411 HD2 LYS 48 HD2 LYS 48 -0.981 3.744 -10.507 412 HD3 LYS 48 HD3 LYS 48 -0.849 3.763 -12.265 413 HE2 LYS 48 HE2 LYS 48 -2.989 5.168 -10.623 414 HE3 LYS 48 HE3 LYS 48 -1.615 5.940 -11.413 415 HZ1 LYS 48 HZ1 LYS 48 -3.587 6.199 -12.725 416 HZ2 LYS 48 HZ2 LYS 48 -3.847 4.532 -12.767 417 HZ3 LYS 48 HZ3 LYS 48 -2.505 5.196 -13.547 418 H TYR 49 H TYR 49 -2.882 0.255 -8.525 419 HA TYR 49 HA TYR 49 -1.319 -1.472 -10.208 420 HB2 TYR 49 HB2 TYR 49 -1.257 -0.872 -7.231 421 HB3 TYR 49 HB3 TYR 49 -0.222 -2.107 -7.944 422 HD1 TYR 49 HD1 TYR 49 -1.120 1.536 -8.430 423 HD2 TYR 49 HD2 TYR 49 1.914 -1.465 -8.711 424 HE1 TYR 49 HE1 TYR 49 0.529 3.257 -9.025 425 HE2 TYR 49 HE2 TYR 49 3.554 0.257 -9.310 426 HH TYR 49 HH TYR 49 3.679 2.478 -10.195 427 H LEU 50 H LEU 50 -3.648 -2.149 -7.490 428 HA LEU 50 HA LEU 50 -3.420 -4.972 -7.636 429 HB2 LEU 50 HB2 LEU 50 -5.540 -3.201 -6.465 430 HB3 LEU 50 HB3 LEU 50 -5.856 -4.920 -6.607 431 HG LEU 50 HG LEU 50 -3.670 -5.283 -5.309 432 HD11 LEU 50 HD11 LEU 50 -2.708 -3.060 -5.543 433 HD12 LEU 50 HD12 LEU 50 -2.920 -3.507 -3.849 434 HD13 LEU 50 HD13 LEU 50 -4.045 -2.377 -4.607 435 HD21 LEU 50 HD21 LEU 50 -5.967 -3.962 -3.858 436 HD22 LEU 50 HD22 LEU 50 -4.759 -5.039 -3.160 437 HD23 LEU 50 HD23 LEU 50 -5.898 -5.655 -4.354 438 H LYS 51 H LYS 51 -5.184 -2.806 -9.643 439 HA LYS 51 HA LYS 51 -7.144 -4.429 -10.788 440 HB2 LYS 51 HB2 LYS 51 -6.726 -1.929 -11.151 441 HB3 LYS 51 HB3 LYS 51 -5.473 -2.376 -12.297 442 HG2 LYS 51 HG2 LYS 51 -7.464 -1.819 -13.531 443 HG3 LYS 51 HG3 LYS 51 -7.212 -3.560 -13.670 444 HD2 LYS 51 HD2 LYS 51 -9.588 -3.082 -13.293 445 HD3 LYS 51 HD3 LYS 51 -8.924 -3.941 -11.901 446 HE2 LYS 51 HE2 LYS 51 -8.738 -1.786 -10.675 447 HE3 LYS 51 HE3 LYS 51 -9.411 -0.936 -12.069 448 HZ1 LYS 51 HZ1 LYS 51 -11.069 -1.363 -10.380 449 HZ2 LYS 51 HZ2 LYS 51 -10.798 -3.028 -10.486 450 HZ3 LYS 51 HZ3 LYS 51 -11.446 -2.190 -11.806 451 H LYS 52 H LYS 52 -3.677 -4.340 -11.381 452 HA LYS 52 HA LYS 52 -3.841 -6.582 -13.334 453 HB2 LYS 52 HB2 LYS 52 -1.765 -4.351 -13.206 454 HB3 LYS 52 HB3 LYS 52 -1.787 -5.668 -14.376 455 HG2 LYS 52 HG2 LYS 52 -3.858 -4.814 -15.364 456 HG3 LYS 52 HG3 LYS 52 -3.960 -3.551 -14.134 457 HD2 LYS 52 HD2 LYS 52 -1.750 -3.822 -16.216 458 HD3 LYS 52 HD3 LYS 52 -3.096 -2.682 -16.296 459 HE2 LYS 52 HE2 LYS 52 -2.278 -1.506 -14.326 460 HE3 LYS 52 HE3 LYS 52 -1.023 -2.719 -14.069 461 HZ1 LYS 52 HZ1 LYS 52 -1.219 -0.852 -16.357 462 HZ2 LYS 52 HZ2 LYS 52 -0.051 -2.062 -16.203 463 HZ3 LYS 52 HZ3 LYS 52 -0.101 -0.784 -15.092 464 H MET 53 H MET 53 -2.949 -5.930 -10.186 465 HA MET 53 HA MET 53 -0.347 -7.094 -10.033 466 HB2 MET 53 HB2 MET 53 -1.152 -5.319 -8.487 467 HB3 MET 53 HB3 MET 53 -2.360 -6.425 -7.844 468 HG2 MET 53 HG2 MET 53 -0.519 -7.912 -7.118 469 HG3 MET 53 HG3 MET 53 0.620 -6.683 -7.643 470 HE1 MET 53 HE1 MET 53 0.919 -4.330 -6.421 471 HE2 MET 53 HE2 MET 53 -0.049 -3.814 -5.041 472 HE3 MET 53 HE3 MET 53 -0.790 -3.928 -6.644 473 H ASN 54 H ASN 54 0.256 -9.113 -9.422 474 HA ASN 54 HA ASN 54 -1.715 -11.296 -9.370 475 HB2 ASN 54 HB2 ASN 54 1.332 -11.495 -9.286 476 HB3 ASN 54 HB3 ASN 54 0.186 -12.766 -9.710 477 HD21 ASN 54 HD21 ASN 54 1.788 -9.887 -10.799 478 HD22 ASN 54 HD22 ASN 54 1.357 -10.032 -12.459 479 H GLU 55 H GLU 55 -1.222 -13.152 -7.734 480 HA GLU 55 HA GLU 55 -1.827 -12.134 -5.170 481 HB2 GLU 55 HB2 GLU 55 -1.148 -14.926 -6.093 482 HB3 GLU 55 HB3 GLU 55 -1.415 -14.578 -4.390 483 HG2 GLU 55 HG2 GLU 55 -3.660 -13.525 -5.239 484 HG3 GLU 55 HG3 GLU 55 -3.371 -14.517 -6.667 485 H GLU 56 H GLU 56 1.247 -13.323 -6.449 486 HA GLU 56 HA GLU 56 2.793 -13.550 -4.143 487 HB2 GLU 56 HB2 GLU 56 4.758 -13.123 -5.673 488 HB3 GLU 56 HB3 GLU 56 3.632 -14.344 -6.253 489 HG2 GLU 56 HG2 GLU 56 2.607 -12.615 -7.766 490 HG3 GLU 56 HG3 GLU 56 3.849 -11.480 -7.244 491 H GLU 57 H GLU 57 2.268 -10.652 -6.136 492 HA GLU 57 HA GLU 57 3.707 -8.828 -4.446 493 HB2 GLU 57 HB2 GLU 57 1.626 -8.246 -6.572 494 HB3 GLU 57 HB3 GLU 57 2.798 -7.100 -5.934 495 HG2 GLU 57 HG2 GLU 57 4.608 -8.212 -7.037 496 HG3 GLU 57 HG3 GLU 57 3.604 -9.609 -7.430 497 H LEU 58 H LEU 58 0.320 -9.839 -4.746 498 HA LEU 58 HA LEU 58 -0.930 -7.920 -3.087 499 HB2 LEU 58 HB2 LEU 58 -1.717 -10.787 -3.741 500 HB3 LEU 58 HB3 LEU 58 -2.742 -9.715 -2.801 501 HG LEU 58 HG LEU 58 -1.909 -9.237 -5.694 502 HD11 LEU 58 HD11 LEU 58 -4.239 -9.730 -6.267 503 HD12 LEU 58 HD12 LEU 58 -4.591 -10.110 -4.578 504 HD13 LEU 58 HD13 LEU 58 -3.469 -11.117 -5.496 505 HD21 LEU 58 HD21 LEU 58 -2.275 -7.137 -4.464 506 HD22 LEU 58 HD22 LEU 58 -3.877 -7.692 -3.981 507 HD23 LEU 58 HD23 LEU 58 -3.517 -7.403 -5.685 508 H GLU 59 H GLU 59 0.835 -10.890 -2.245 509 HA GLU 59 HA GLU 59 0.067 -11.103 0.486 510 HB2 GLU 59 HB2 GLU 59 2.735 -11.875 -0.779 511 HB3 GLU 59 HB3 GLU 59 2.146 -12.422 0.783 512 HG2 GLU 59 HG2 GLU 59 1.030 -13.136 -1.939 513 HG3 GLU 59 HG3 GLU 59 1.917 -14.191 -0.849 514 H GLU 60 H GLU 60 2.720 -9.412 -1.130 515 HA GLU 60 HA GLU 60 3.890 -8.254 1.209 516 HB2 GLU 60 HB2 GLU 60 5.090 -8.698 -0.961 517 HB3 GLU 60 HB3 GLU 60 4.180 -7.390 -1.702 518 HG2 GLU 60 HG2 GLU 60 5.307 -5.732 -0.430 519 HG3 GLU 60 HG3 GLU 60 5.917 -6.915 0.727 520 H TYR 61 H TYR 61 1.442 -7.177 -1.137 521 HA TYR 61 HA TYR 61 1.105 -4.538 -0.157 522 HB2 TYR 61 HB2 TYR 61 0.297 -5.286 -2.391 523 HB3 TYR 61 HB3 TYR 61 -0.933 -6.278 -1.609 524 HD1 TYR 61 HD2 TYR 61 0.248 -2.727 -1.912 525 HD2 TYR 61 HD1 TYR 61 -3.047 -5.307 -1.062 526 HE1 TYR 61 HE2 TYR 61 -1.246 -0.793 -1.827 527 HE2 TYR 61 HE1 TYR 61 -4.534 -3.372 -0.962 528 HH TYR 61 HH TYR 61 -4.582 -1.104 -0.830 529 H ASP 62 H ASP 62 -0.354 -7.635 0.776 530 HA ASP 62 HA ASP 62 -2.265 -6.664 2.617 531 HB2 ASP 62 HB2 ASP 62 -2.181 -9.025 1.758 532 HB3 ASP 62 HB3 ASP 62 -0.746 -9.314 2.734 533 H SER 63 H SER 63 1.132 -7.614 3.008 534 HA SER 63 HA SER 63 1.515 -7.118 5.729 535 HB2 SER 63 HB2 SER 63 3.518 -6.680 3.473 536 HB3 SER 63 HB3 SER 63 3.921 -6.873 5.178 537 HG SER 63 HG SER 63 3.242 -8.764 3.291 538 H LEU 64 H LEU 64 1.373 -4.805 3.036 539 HA LEU 64 HA LEU 64 2.306 -2.502 4.447 540 HB2 LEU 64 HB2 LEU 64 2.240 -2.770 1.934 541 HB3 LEU 64 HB3 LEU 64 0.495 -2.595 2.006 542 HG LEU 64 HG LEU 64 0.822 -0.289 2.975 543 HD11 LEU 64 HD11 LEU 64 3.750 -0.719 2.301 544 HD12 LEU 64 HD12 LEU 64 3.062 -0.547 3.920 545 HD13 LEU 64 HD13 LEU 64 3.013 0.810 2.796 546 HD21 LEU 64 HD21 LEU 64 2.046 -0.733 0.229 547 HD22 LEU 64 HD22 LEU 64 1.426 0.802 0.844 548 HD23 LEU 64 HD23 LEU 64 0.325 -0.550 0.591 549 H LEU 65 H LEU 65 -0.882 -3.937 3.934 550 HA LEU 65 HA LEU 65 -2.504 -1.909 5.105 551 HB2 LEU 65 HB2 LEU 65 -3.138 -4.882 5.200 552 HB3 LEU 65 HB3 LEU 65 -4.272 -3.537 5.159 553 HG LEU 65 HG LEU 65 -2.505 -4.462 2.863 554 HD11 LEU 65 HD11 LEU 65 -5.502 -4.678 3.186 555 HD12 LEU 65 HD12 LEU 65 -4.340 -5.999 3.318 556 HD13 LEU 65 HD13 LEU 65 -4.558 -5.173 1.779 557 HD21 LEU 65 HD21 LEU 65 -3.715 -2.840 1.461 558 HD22 LEU 65 HD22 LEU 65 -2.796 -2.046 2.734 559 HD23 LEU 65 HD23 LEU 65 -4.546 -2.218 2.890 560 H ASN 66 H ASN 66 -0.652 -4.577 6.409 561 HA ASN 66 HA ASN 66 -1.636 -4.593 9.083 562 HB2 ASN 66 HB2 ASN 66 0.957 -5.640 7.878 563 HB3 ASN 66 HB3 ASN 66 0.509 -5.894 9.559 564 HD21 ASN 66 HD21 ASN 66 -1.848 -6.056 6.909 565 HD22 ASN 66 HD22 ASN 66 -2.074 -7.753 7.002 566 H GLU 67 H GLU 67 0.611 -2.499 7.458 567 HA GLU 67 HA GLU 67 2.145 -1.672 9.776 568 HB2 GLU 67 HB2 GLU 67 1.955 -0.331 7.045 569 HB3 GLU 67 HB3 GLU 67 3.198 -0.049 8.261 570 HG2 GLU 67 HG2 GLU 67 2.751 -2.594 6.674 571 HG3 GLU 67 HG3 GLU 67 4.057 -1.434 6.448 572 H LEU 68 H LEU 68 2.331 0.840 10.137 573 HA LEU 68 HA LEU 68 -0.370 1.907 10.639 574 HB2 LEU 68 HB2 LEU 68 2.338 2.746 11.726 575 HB3 LEU 68 HB3 LEU 68 0.865 3.670 11.986 576 HG LEU 68 HG LEU 68 -0.117 1.502 13.024 577 HD11 LEU 68 HD11 LEU 68 2.806 0.729 13.216 578 HD12 LEU 68 HD12 LEU 68 1.569 -0.099 12.266 579 HD13 LEU 68 HD13 LEU 68 1.458 -0.075 14.024 580 HD21 LEU 68 HD21 LEU 68 2.094 2.957 14.490 581 HD22 LEU 68 HD22 LEU 68 0.778 2.039 15.228 582 HD23 LEU 68 HD23 LEU 68 0.423 3.505 14.312 583 H ASP 69 H ASP 69 -1.132 3.721 9.794 584 HA ASP 69 HA ASP 69 -0.571 4.315 7.151 585 HB2 ASP 69 HB2 ASP 69 -2.102 6.436 7.651 586 HB3 ASP 69 HB3 ASP 69 -2.755 4.807 7.698 587 H TRP 70 H TRP 70 0.255 6.439 9.934 588 HA TRP 70 HA TRP 70 1.517 8.508 8.584 589 HB2 TRP 70 HB2 TRP 70 1.988 7.351 11.345 590 HB3 TRP 70 HB3 TRP 70 2.992 8.672 10.760 591 HD1 TRP 70 HD1 TRP 70 -0.121 8.158 12.644 592 HE1 TRP 70 HE1 TRP 70 -1.480 10.337 12.749 593 HE3 TRP 70 HE3 TRP 70 2.293 10.820 8.991 594 HZ2 TRP 70 HZ2 TRP 70 -1.542 12.844 11.452 595 HZ3 TRP 70 HZ3 TRP 70 1.511 13.096 8.469 596 HH2 TRP 70 HH2 TRP 70 -0.374 14.086 9.676 597 H ASP 71 H ASP 71 3.001 5.457 9.712 598 HA ASP 71 HA ASP 71 5.661 6.012 8.891 599 HB2 ASP 71 HB2 ASP 71 4.278 3.334 9.379 600 HB3 ASP 71 HB3 ASP 71 6.021 3.554 9.228 601 H ILE 72 H ILE 72 3.018 4.187 7.319 602 HA ILE 72 HA ILE 72 4.203 3.297 4.964 603 HB ILE 72 HB ILE 72 1.369 4.381 5.356 604 HG12 ILE 72 HG12 ILE 72 2.333 1.482 5.378 605 HG13 ILE 72 HG13 ILE 72 1.987 2.427 6.820 606 HG21 ILE 72 HG21 ILE 72 2.398 2.671 3.056 607 HG22 ILE 72 HG22 ILE 72 1.869 4.353 2.952 608 HG23 ILE 72 HG23 ILE 72 0.707 3.087 3.343 609 HD11 ILE 72 HD11 ILE 72 -0.019 1.647 4.699 610 HD12 ILE 72 HD12 ILE 72 -0.368 2.589 6.151 611 HD13 ILE 72 HD13 ILE 72 0.166 0.915 6.291 612 H TYR 73 H TYR 73 2.708 6.468 5.617 613 HA TYR 73 HA TYR 73 3.118 7.579 3.034 614 HB2 TYR 73 HB2 TYR 73 1.369 8.406 4.561 615 HB3 TYR 73 HB3 TYR 73 2.596 8.952 5.703 616 HD1 TYR 73 HD2 TYR 73 1.860 9.363 2.027 617 HD2 TYR 73 HD1 TYR 73 2.994 11.285 5.675 618 HE1 TYR 73 HE2 TYR 73 1.982 11.515 0.855 619 HE2 TYR 73 HE1 TYR 73 3.119 13.445 4.497 620 HH TYR 73 HH TYR 73 1.878 13.899 1.346 621 H TYR 74 H TYR 74 5.065 7.671 6.025 622 HA TYR 74 HA TYR 74 6.938 9.655 5.087 623 HB2 TYR 74 HB2 TYR 74 7.059 7.728 7.437 624 HB3 TYR 74 HB3 TYR 74 8.302 8.932 7.109 625 HD1 TYR 74 HD1 TYR 74 6.544 11.277 6.298 626 HD2 TYR 74 HD2 TYR 74 6.186 8.497 9.526 627 HE1 TYR 74 HE1 TYR 74 5.339 12.961 7.615 628 HE2 TYR 74 HE2 TYR 74 4.976 10.180 10.840 629 HH TYR 74 HH TYR 74 4.701 12.591 10.962 630 H TRP 75 H TRP 75 6.765 6.169 4.802 631 HA TRP 75 HA TRP 75 9.477 5.859 3.795 632 HB2 TRP 75 HB2 TRP 75 7.120 3.927 3.699 633 HB3 TRP 75 HB3 TRP 75 8.784 3.528 3.286 634 HD1 TRP 75 HD1 TRP 75 10.074 5.040 5.930 635 HE1 TRP 75 HE1 TRP 75 9.879 3.832 8.185 636 HE3 TRP 75 HE3 TRP 75 6.202 1.868 4.838 637 HZ2 TRP 75 HZ2 TRP 75 8.318 1.803 9.358 638 HZ3 TRP 75 HZ3 TRP 75 5.419 0.319 6.587 639 HH2 TRP 75 HH2 TRP 75 6.454 0.289 8.805 640 H ALA 76 H ALA 76 6.211 6.210 2.442 641 HA ALA 76 HA ALA 76 6.835 5.828 -0.306 642 HB1 ALA 76 HB1 ALA 76 4.544 5.735 0.591 643 HB2 ALA 76 HB2 ALA 76 4.664 6.886 -0.741 644 HB3 ALA 76 HB3 ALA 76 4.598 7.466 0.926 645 H THR 77 H THR 77 6.888 8.698 1.752 646 HA THR 77 HA THR 77 8.049 10.390 -0.371 647 HB THR 77 HB THR 77 7.859 12.254 1.269 648 HG1 THR 77 HG1 THR 77 6.502 10.489 3.030 649 HG21 THR 77 HG21 THR 77 5.260 10.682 1.026 650 HG22 THR 77 HG22 THR 77 5.894 11.819 -0.167 651 HG23 THR 77 HG23 THR 77 5.392 12.397 1.422 652 H LYS 78 H LYS 78 9.961 11.845 0.552 653 HA LYS 78 HA LYS 78 11.985 10.039 1.675 654 HB2 LYS 78 HB2 LYS 78 12.170 11.930 -0.329 655 HB3 LYS 78 HB3 LYS 78 12.782 12.854 1.031 656 HG2 LYS 78 HG2 LYS 78 13.876 10.181 0.075 657 HG3 LYS 78 HG3 LYS 78 14.587 11.764 -0.268 658 HD2 LYS 78 HD2 LYS 78 14.911 12.075 2.216 659 HD3 LYS 78 HD3 LYS 78 14.322 10.429 2.457 660 HE2 LYS 78 HE2 LYS 78 16.746 10.410 2.503 661 HE3 LYS 78 HE3 LYS 78 16.204 9.592 1.037 662 HZ1 LYS 78 HZ1 LYS 78 17.196 12.391 1.210 663 HZ2 LYS 78 HZ2 LYS 78 16.655 11.634 -0.202 664 HZ3 LYS 78 HZ3 LYS 78 18.043 11.069 0.579 665 H ASN 79 H ASN 79 10.515 10.102 3.664 666 HA ASN 79 HA ASN 79 11.536 12.100 5.622 667 HB2 ASN 79 HB2 ASN 79 8.722 10.934 5.406 668 HB3 ASN 79 HB3 ASN 79 9.299 11.810 6.821 669 HD21 ASN 79 HD21 ASN 79 7.111 12.419 4.946 670 HD22 ASN 79 HD22 ASN 79 7.436 14.003 4.353 671 H PHE 80 H PHE 80 12.805 9.723 5.026 672 HA PHE 80 HA PHE 80 12.096 7.492 6.649 673 HB2 PHE 80 HB2 PHE 80 14.757 8.227 5.355 674 HB3 PHE 80 HB3 PHE 80 14.383 6.658 6.064 675 HD1 PHE 80 HD1 PHE 80 12.667 5.182 5.009 676 HD2 PHE 80 HD2 PHE 80 13.939 8.809 3.139 677 HE1 PHE 80 HE1 PHE 80 11.724 4.417 2.886 678 HE2 PHE 80 HE2 PHE 80 12.991 8.037 1.004 679 HZ PHE 80 HZ PHE 80 11.882 5.847 0.867 680 H LYS 81 H LYS 81 14.015 10.376 7.299 681 HA LYS 81 HA LYS 81 15.173 9.421 9.760 682 HB2 LYS 81 HB2 LYS 81 15.847 11.733 10.145 683 HB3 LYS 81 HB3 LYS 81 16.198 11.270 8.486 684 HG2 LYS 81 HG2 LYS 81 14.214 12.507 7.710 685 HG3 LYS 81 HG3 LYS 81 13.832 12.959 9.373 686 HD2 LYS 81 HD2 LYS 81 16.381 13.759 7.893 687 HD3 LYS 81 HD3 LYS 81 14.957 14.783 8.069 688 HE2 LYS 81 HE2 LYS 81 16.453 15.546 9.741 689 HE3 LYS 81 HE3 LYS 81 15.303 14.548 10.619 690 HZ1 LYS 81 HZ1 LYS 81 16.920 12.757 10.626 691 HZ2 LYS 81 HZ2 LYS 81 17.575 14.150 11.314 692 HZ3 LYS 81 HZ3 LYS 81 18.011 13.699 9.745 693 H THR 82 H THR 82 12.061 10.696 8.901 694 HA THR 82 HA THR 82 11.207 11.427 11.577 695 HB THR 82 HB THR 82 9.440 10.881 9.136 696 HG1 THR 82 HG1 THR 82 9.832 12.902 8.471 697 HG21 THR 82 HG21 THR 82 7.856 12.423 10.231 698 HG22 THR 82 HG22 THR 82 8.958 12.616 11.593 699 HG23 THR 82 HG23 THR 82 8.205 11.049 11.283 700 H SER 83 H SER 83 10.299 8.824 9.264 701 HA SER 83 HA SER 83 10.017 6.905 11.514 702 HB2 SER 83 HB2 SER 83 8.304 7.136 9.010 703 HB3 SER 83 HB3 SER 83 8.352 5.666 9.988 704 HG SER 83 HG SER 83 7.196 6.604 11.456 705 HA PRO 84 HA PRO 84 13.610 5.307 9.162 706 HB2 PRO 84 HB2 PRO 84 14.175 3.201 10.902 707 HB3 PRO 84 HB3 PRO 84 14.708 4.869 11.146 708 HG2 PRO 84 HG2 PRO 84 12.307 3.462 12.308 709 HG3 PRO 84 HG3 PRO 84 13.492 4.504 13.126 710 HD2 PRO 84 HD2 PRO 84 11.091 5.468 12.411 711 HD3 PRO 84 HD3 PRO 84 12.546 6.479 12.249 712 H LEU 85 H LEU 85 13.686 3.892 7.489 713 HA LEU 85 HA LEU 85 11.511 2.135 6.908 714 HB2 LEU 85 HB2 LEU 85 12.856 3.415 5.212 715 HB3 LEU 85 HB3 LEU 85 14.222 2.363 5.549 716 HG LEU 85 HG LEU 85 12.826 0.402 4.770 717 HD11 LEU 85 HD11 LEU 85 10.776 0.841 3.486 718 HD12 LEU 85 HD12 LEU 85 10.861 2.551 3.908 719 HD13 LEU 85 HD13 LEU 85 10.596 1.340 5.166 720 HD21 LEU 85 HD21 LEU 85 13.043 0.889 2.373 721 HD22 LEU 85 HD22 LEU 85 14.455 1.450 3.262 722 HD23 LEU 85 HD23 LEU 85 13.237 2.609 2.724 723 HA PRO 86 HA PRO 86 13.561 -1.452 8.892 724 HB2 PRO 86 HB2 PRO 86 11.436 -3.161 8.847 725 HB3 PRO 86 HB3 PRO 86 11.553 -1.826 9.995 726 HG2 PRO 86 HG2 PRO 86 9.855 -2.091 7.570 727 HG3 PRO 86 HG3 PRO 86 9.559 -1.167 9.052 728 HD2 PRO 86 HD2 PRO 86 10.524 -0.165 6.553 729 HD3 PRO 86 HD3 PRO 86 10.392 0.733 8.075 730 H ASP 87 H ASP 87 14.121 -3.660 8.270 731 HA ASP 87 HA ASP 87 15.101 -3.878 5.648 732 HB2 ASP 87 HB2 ASP 87 14.742 -6.034 7.773 733 HB3 ASP 87 HB3 ASP 87 15.680 -6.254 6.295 734 H LYS 88 H LYS 88 12.153 -5.211 7.066 735 HA LYS 88 HA LYS 88 11.324 -6.974 5.060 736 HB2 LYS 88 HB2 LYS 88 9.014 -6.656 5.956 737 HB3 LYS 88 HB3 LYS 88 10.209 -6.937 7.216 738 HG2 LYS 88 HG2 LYS 88 10.255 -4.495 7.694 739 HG3 LYS 88 HG3 LYS 88 9.018 -4.244 6.465 740 HD2 LYS 88 HD2 LYS 88 8.506 -6.114 8.807 741 HD3 LYS 88 HD3 LYS 88 8.314 -4.373 8.991 742 HE2 LYS 88 HE2 LYS 88 6.156 -5.416 8.516 743 HE3 LYS 88 HE3 LYS 88 6.623 -4.356 7.194 744 HZ1 LYS 88 HZ1 LYS 88 7.234 -6.253 5.894 745 HZ2 LYS 88 HZ2 LYS 88 5.655 -6.460 6.460 746 HZ3 LYS 88 HZ3 LYS 88 6.932 -7.304 7.178 747 H TRP 89 H TRP 89 11.177 -3.438 5.052 748 HA TRP 89 HA TRP 89 9.737 -3.479 2.463 749 HB2 TRP 89 HB2 TRP 89 10.206 -1.165 4.383 750 HB3 TRP 89 HB3 TRP 89 9.397 -1.024 2.820 751 HD1 TRP 89 HD1 TRP 89 8.560 -1.497 6.346 752 HE1 TRP 89 HE1 TRP 89 6.194 -2.440 6.622 753 HE3 TRP 89 HE3 TRP 89 7.672 -2.935 1.516 754 HZ2 TRP 89 HZ2 TRP 89 4.219 -3.659 5.025 755 HZ3 TRP 89 HZ3 TRP 89 5.520 -3.988 0.970 756 HH2 TRP 89 HH2 TRP 89 3.827 -4.339 2.695 757 H ALA 90 H ALA 90 12.846 -2.828 3.821 758 HA ALA 90 HA ALA 90 13.997 -0.992 2.066 759 HB1 ALA 90 HB1 ALA 90 15.040 -1.766 4.147 760 HB2 ALA 90 HB2 ALA 90 16.154 -1.961 2.792 761 HB3 ALA 90 HB3 ALA 90 15.292 -3.366 3.440 762 H ASN 91 H ASN 91 13.672 -4.485 1.717 763 HA ASN 91 HA ASN 91 14.903 -4.521 -0.961 764 HB2 ASN 91 HB2 ASN 91 14.999 -6.942 -0.714 765 HB3 ASN 91 HB3 ASN 91 15.651 -6.186 0.728 766 HD21 ASN 91 HD21 ASN 91 12.877 -5.630 1.808 767 HD22 ASN 91 HD22 ASN 91 12.358 -7.143 2.393 768 H SER 92 H SER 92 11.849 -3.913 0.053 769 HA SER 92 HA SER 92 10.274 -5.868 -1.361 770 HB2 SER 92 HB2 SER 92 9.538 -3.248 -0.002 771 HB3 SER 92 HB3 SER 92 8.343 -4.249 -0.835 772 HG SER 92 HG SER 92 8.659 -5.856 0.610 773 H LYS 93 H LYS 93 9.394 -5.838 -3.335 774 HA LYS 93 HA LYS 93 9.995 -3.942 -5.369 775 HB2 LYS 93 HB2 LYS 93 7.670 -5.917 -5.266 776 HB3 LYS 93 HB3 LYS 93 8.303 -5.146 -6.713 777 HG2 LYS 93 HG2 LYS 93 9.958 -7.048 -5.018 778 HG3 LYS 93 HG3 LYS 93 8.906 -7.601 -6.312 779 HD2 LYS 93 HD2 LYS 93 11.064 -7.513 -7.291 780 HD3 LYS 93 HD3 LYS 93 10.249 -6.070 -7.886 781 HE2 LYS 93 HE2 LYS 93 11.462 -4.699 -6.229 782 HE3 LYS 93 HE3 LYS 93 12.252 -6.142 -5.591 783 HZ1 LYS 93 HZ1 LYS 93 13.367 -6.435 -7.678 784 HZ2 LYS 93 HZ2 LYS 93 13.636 -4.856 -7.129 785 HZ3 LYS 93 HZ3 LYS 93 12.524 -5.145 -8.370 786 H LEU 94 H LEU 94 7.115 -4.534 -3.407 787 HA LEU 94 HA LEU 94 5.274 -2.758 -4.425 788 HB2 LEU 94 HB2 LEU 94 4.821 -4.537 -2.742 789 HB3 LEU 94 HB3 LEU 94 5.651 -3.578 -1.527 790 HG LEU 94 HG LEU 94 3.863 -1.737 -2.044 791 HD11 LEU 94 HD11 LEU 94 1.712 -2.528 -2.867 792 HD12 LEU 94 HD12 LEU 94 2.394 -4.124 -3.194 793 HD13 LEU 94 HD13 LEU 94 2.965 -2.713 -4.095 794 HD21 LEU 94 HD21 LEU 94 3.079 -4.274 -0.597 795 HD22 LEU 94 HD22 LEU 94 2.284 -2.706 -0.432 796 HD23 LEU 94 HD23 LEU 94 3.960 -2.900 0.076 797 H LEU 95 H LEU 95 7.676 -2.141 -1.852 798 HA LEU 95 HA LEU 95 6.817 0.411 -1.055 799 HB2 LEU 95 HB2 LEU 95 8.452 -0.922 0.236 800 HB3 LEU 95 HB3 LEU 95 9.642 -0.709 -1.041 801 HG LEU 95 HG LEU 95 9.389 1.846 -0.615 802 HD11 LEU 95 HD11 LEU 95 7.340 1.789 0.711 803 HD12 LEU 95 HD12 LEU 95 8.661 2.549 1.593 804 HD13 LEU 95 HD13 LEU 95 8.174 0.899 1.991 805 HD21 LEU 95 HD21 LEU 95 11.402 0.599 -0.033 806 HD22 LEU 95 HD22 LEU 95 10.697 0.164 1.529 807 HD23 LEU 95 HD23 LEU 95 11.045 1.853 1.155 808 H LYS 96 H LYS 96 9.159 -0.520 -3.567 809 HA LYS 96 HA LYS 96 9.920 2.154 -4.270 810 HB2 LYS 96 HB2 LYS 96 10.245 -0.390 -5.900 811 HB3 LYS 96 HB3 LYS 96 11.069 1.139 -6.192 812 HG2 LYS 96 HG2 LYS 96 11.850 0.693 -3.611 813 HG3 LYS 96 HG3 LYS 96 11.605 -0.973 -4.137 814 HD2 LYS 96 HD2 LYS 96 13.933 -0.383 -4.499 815 HD3 LYS 96 HD3 LYS 96 13.150 -0.543 -6.074 816 HE2 LYS 96 HE2 LYS 96 12.910 1.929 -6.185 817 HE3 LYS 96 HE3 LYS 96 13.726 2.073 -4.629 818 HZ1 LYS 96 HZ1 LYS 96 15.255 2.494 -6.377 819 HZ2 LYS 96 HZ2 LYS 96 14.874 1.046 -7.158 820 HZ3 LYS 96 HZ3 LYS 96 15.676 1.021 -5.668 821 H GLN 97 H GLN 97 7.458 -0.094 -5.465 822 HA GLN 97 HA GLN 97 6.431 1.394 -7.641 823 HB2 GLN 97 HB2 GLN 97 4.763 -0.230 -5.664 824 HB3 GLN 97 HB3 GLN 97 4.317 0.190 -7.312 825 HG2 GLN 97 HG2 GLN 97 6.523 -1.711 -6.486 826 HG3 GLN 97 HG3 GLN 97 4.943 -2.167 -7.105 827 HE21 GLN 97 HE21 GLN 97 7.582 -2.834 -8.123 828 HE22 GLN 97 HE22 GLN 97 7.622 -2.277 -9.756 829 H LEU 98 H LEU 98 5.723 1.490 -4.175 830 HA LEU 98 HA LEU 98 3.617 3.395 -4.222 831 HB2 LEU 98 HB2 LEU 98 3.971 1.684 -2.435 832 HB3 LEU 98 HB3 LEU 98 5.410 2.542 -1.913 833 HG LEU 98 HG LEU 98 3.987 4.507 -1.277 834 HD11 LEU 98 HD11 LEU 98 2.130 4.210 -2.825 835 HD12 LEU 98 HD12 LEU 98 1.542 4.274 -1.166 836 HD13 LEU 98 HD13 LEU 98 1.644 2.722 -2.004 837 HD21 LEU 98 HD21 LEU 98 3.147 1.902 0.050 838 HD22 LEU 98 HD22 LEU 98 2.993 3.520 0.742 839 HD23 LEU 98 HD23 LEU 98 4.591 2.845 0.434 840 H GLN 99 H GLN 99 7.106 3.706 -3.622 841 HA GLN 99 HA GLN 99 7.159 6.441 -2.855 842 HB2 GLN 99 HB2 GLN 99 9.277 4.544 -3.920 843 HB3 GLN 99 HB3 GLN 99 9.659 6.236 -3.605 844 HG2 GLN 99 HG2 GLN 99 9.034 5.962 -1.248 845 HG3 GLN 99 HG3 GLN 99 8.594 4.281 -1.546 846 HE21 GLN 99 HE21 GLN 99 10.130 3.835 0.172 847 HE22 GLN 99 HE22 GLN 99 11.813 3.727 -0.200 848 H GLU 100 H GLU 100 7.836 4.901 -6.009 849 HA GLU 100 HA GLU 100 8.272 7.388 -7.377 850 HB2 GLU 100 HB2 GLU 100 7.839 4.585 -8.487 851 HB3 GLU 100 HB3 GLU 100 8.356 5.978 -9.439 852 HG2 GLU 100 HG2 GLU 100 10.363 6.177 -7.955 853 HG3 GLU 100 HG3 GLU 100 9.876 4.697 -7.141 854 H PHE 101 H PHE 101 5.427 5.409 -6.780 855 HA PHE 101 HA PHE 101 3.662 6.875 -8.508 856 HB2 PHE 101 HB2 PHE 101 3.056 4.626 -7.710 857 HB3 PHE 101 HB3 PHE 101 3.047 5.188 -6.041 858 HD1 PHE 101 HD2 PHE 101 1.416 5.878 -9.355 859 HD2 PHE 101 HD1 PHE 101 0.983 5.889 -5.097 860 HE1 PHE 101 HE2 PHE 101 -0.944 6.505 -9.586 861 HE2 PHE 101 HE1 PHE 101 -1.380 6.519 -5.347 862 HZ PHE 101 HZ PHE 101 -2.345 6.828 -7.594 863 H SER 102 H SER 102 4.533 7.167 -5.045 864 HA SER 102 HA SER 102 2.554 8.974 -4.204 865 HB2 SER 102 HB2 SER 102 3.980 7.734 -2.614 866 HB3 SER 102 HB3 SER 102 5.392 8.657 -3.124 867 HG SER 102 HG SER 102 4.807 9.898 -1.520 868 H GLU 103 H GLU 103 5.882 9.647 -5.243 869 HA GLU 103 HA GLU 103 5.758 12.481 -4.976 870 HB2 GLU 103 HB2 GLU 103 7.710 10.791 -6.588 871 HB3 GLU 103 HB3 GLU 103 7.944 12.476 -6.121 872 HG2 GLU 103 HG2 GLU 103 7.903 11.770 -3.722 873 HG3 GLU 103 HG3 GLU 103 7.791 10.090 -4.246 874 H ASN 104 H ASN 104 4.757 10.362 -7.543 875 HA ASN 104 HA ASN 104 4.437 12.633 -9.442 876 HB2 ASN 104 HB2 ASN 104 5.021 9.704 -10.092 877 HB3 ASN 104 HB3 ASN 104 4.765 10.985 -11.278 878 HD21 ASN 104 HD21 ASN 104 6.964 9.742 -8.851 879 HD22 ASN 104 HD22 ASN 104 8.331 10.675 -9.337 880 H LYS 105 H LYS 105 2.487 11.408 -7.416 881 HA LYS 105 HA LYS 105 0.664 9.667 -8.478 882 HB2 LYS 105 HB2 LYS 105 0.971 10.475 -6.065 883 HB3 LYS 105 HB3 LYS 105 -0.005 11.877 -6.501 884 HG2 LYS 105 HG2 LYS 105 -1.731 10.130 -7.307 885 HG3 LYS 105 HG3 LYS 105 -0.807 8.988 -6.346 886 HD2 LYS 105 HD2 LYS 105 -2.261 11.468 -5.367 887 HD3 LYS 105 HD3 LYS 105 -2.693 9.789 -5.042 888 HE2 LYS 105 HE2 LYS 105 -0.624 9.521 -3.714 889 HE3 LYS 105 HE3 LYS 105 -0.199 11.206 -4.040 890 HZ1 LYS 105 HZ1 LYS 105 -2.301 11.841 -2.964 891 HZ2 LYS 105 HZ2 LYS 105 -1.229 11.062 -1.916 892 HZ3 LYS 105 HZ3 LYS 105 -2.559 10.225 -2.547 893 H GLU 106 H GLU 106 -0.061 13.145 -8.027 894 HA GLU 106 HA GLU 106 -2.049 13.063 -10.222 895 HB2 GLU 106 HB2 GLU 106 -1.684 15.127 -7.995 896 HB3 GLU 106 HB3 GLU 106 -2.994 15.104 -9.177 897 HG2 GLU 106 HG2 GLU 106 -3.775 12.940 -8.229 898 HG3 GLU 106 HG3 GLU 106 -2.490 13.022 -7.023 899 H LYS 107 H LYS 107 0.940 13.322 -10.454 900 HA LYS 107 HA LYS 107 1.277 16.077 -11.507 901 HB2 LYS 107 HB2 LYS 107 3.499 14.272 -10.466 902 HB3 LYS 107 HB3 LYS 107 3.559 16.009 -10.773 903 HG2 LYS 107 HG2 LYS 107 1.843 16.294 -8.913 904 HG3 LYS 107 HG3 LYS 107 2.064 14.580 -8.554 905 HD2 LYS 107 HD2 LYS 107 3.465 15.718 -7.022 906 HD3 LYS 107 HD3 LYS 107 4.552 15.100 -8.263 907 HE2 LYS 107 HE2 LYS 107 5.174 17.388 -7.672 908 HE3 LYS 107 HE3 LYS 107 4.569 17.349 -9.331 909 HZ1 LYS 107 HZ1 LYS 107 3.652 19.206 -8.127 910 HZ2 LYS 107 HZ2 LYS 107 3.043 18.185 -6.929 911 HZ3 LYS 107 HZ3 LYS 107 2.419 18.109 -8.498 912 H GLU 108 H GLU 108 0.297 13.630 -12.901 913 HA GLU 108 HA GLU 108 2.304 12.621 -14.654 914 HB2 GLU 108 HB2 GLU 108 0.385 11.607 -15.891 915 HB3 GLU 108 HB3 GLU 108 0.382 11.248 -14.171 916 HG2 GLU 108 HG2 GLU 108 -1.420 12.832 -13.774 917 HG3 GLU 108 HG3 GLU 108 -1.333 13.408 -15.438 918 H ILE 109 H ILE 109 3.005 13.353 -16.553 919 HA ILE 109 HA ILE 109 1.653 15.603 -17.958 920 HB ILE 109 HB ILE 109 4.664 15.162 -17.629 921 HG12 ILE 109 HG12 ILE 109 2.898 17.423 -16.555 922 HG13 ILE 109 HG13 ILE 109 3.544 16.101 -15.589 923 HG21 ILE 109 HG21 ILE 109 4.950 17.292 -18.885 924 HG22 ILE 109 HG22 ILE 109 3.212 17.351 -19.180 925 HG23 ILE 109 HG23 ILE 109 4.180 16.048 -19.871 926 HD11 ILE 109 HD11 ILE 109 5.159 18.235 -16.984 927 HD12 ILE 109 HD12 ILE 109 5.822 16.906 -16.027 928 HD13 ILE 109 HD13 ILE 109 4.812 18.130 -15.259 Start of MODEL 16 1 H1 MET 1 H1 MET 1 11.647 -31.212 19.020 2 H2 MET 1 H2 MET 1 12.540 -29.916 19.631 3 H3 MET 1 H3 MET 1 13.262 -31.434 19.465 4 HA MET 1 HA MET 1 13.997 -29.959 17.714 5 HB2 MET 1 HB2 MET 1 12.084 -32.101 16.674 6 HB3 MET 1 HB3 MET 1 13.421 -31.403 15.773 7 HG2 MET 1 HG2 MET 1 15.012 -32.399 17.371 8 HG3 MET 1 HG3 MET 1 13.662 -33.113 18.260 9 HE1 MET 1 HE1 MET 1 14.526 -35.637 18.054 10 HE2 MET 1 HE2 MET 1 16.001 -34.984 17.339 11 HE3 MET 1 HE3 MET 1 15.151 -36.312 16.550 12 H GLY 2 H GLY 2 12.539 -29.815 15.151 13 HA2 GLY 2 HA2 GLY 2 10.991 -28.477 14.045 14 HA3 GLY 2 HA3 GLY 2 10.247 -28.066 15.582 15 H HIS 3 H HIS 3 13.669 -27.695 15.233 16 HA HIS 3 HA HIS 3 13.608 -24.854 15.751 17 HB2 HIS 3 HB2 HIS 3 15.264 -26.375 16.792 18 HB3 HIS 3 HB3 HIS 3 15.927 -26.764 15.211 19 HD1 HIS 3 HD1 HIS 3 17.930 -25.430 14.582 20 HD2 HIS 3 HD2 HIS 3 15.637 -23.479 17.442 21 HE1 HIS 3 HE1 HIS 3 19.234 -23.382 15.198 22 HE2 HIS 3 HE2 HIS 3 17.917 -22.324 17.058 23 H HIS 4 H HIS 4 13.643 -26.761 12.904 24 HA HIS 4 HA HIS 4 15.195 -25.396 11.074 25 HB2 HIS 4 HB2 HIS 4 13.704 -26.370 9.305 26 HB3 HIS 4 HB3 HIS 4 14.206 -27.539 10.518 27 HD1 HIS 4 HD1 HIS 4 11.159 -25.713 9.264 28 HD2 HIS 4 HD2 HIS 4 12.119 -28.650 12.046 29 HE1 HIS 4 HE1 HIS 4 8.967 -26.665 10.013 30 HE2 HIS 4 HE2 HIS 4 9.563 -28.410 11.724 31 H HIS 5 H HIS 5 15.208 -23.275 10.629 32 HA HIS 5 HA HIS 5 12.834 -21.587 10.698 33 HB2 HIS 5 HB2 HIS 5 15.095 -20.820 11.501 34 HB3 HIS 5 HB3 HIS 5 15.688 -20.918 9.850 35 HD1 HIS 5 HD1 HIS 5 14.986 -19.031 8.227 36 HD2 HIS 5 HD2 HIS 5 13.470 -18.597 12.073 37 HE1 HIS 5 HE1 HIS 5 14.142 -16.674 8.350 38 HE2 HIS 5 HE2 HIS 5 13.101 -16.476 10.636 39 H HIS 6 H HIS 6 11.791 -22.991 9.053 40 HA HIS 6 HA HIS 6 12.208 -22.061 6.291 41 HB2 HIS 6 HB2 HIS 6 12.008 -25.010 7.078 42 HB3 HIS 6 HB3 HIS 6 11.919 -24.416 5.424 43 HD1 HIS 6 HD1 HIS 6 14.143 -23.592 4.335 44 HD2 HIS 6 HD2 HIS 6 14.603 -25.175 8.149 45 HE1 HIS 6 HE1 HIS 6 16.606 -23.961 4.617 46 HE2 HIS 6 HE2 HIS 6 16.864 -24.961 6.910 47 H HIS 7 H HIS 7 10.292 -21.254 5.668 48 HA HIS 7 HA HIS 7 7.862 -21.784 7.159 49 HB2 HIS 7 HB2 HIS 7 8.557 -19.485 6.431 50 HB3 HIS 7 HB3 HIS 7 8.288 -19.952 4.757 51 HD1 HIS 7 HD1 HIS 7 5.907 -19.790 3.894 52 HD2 HIS 7 HD2 HIS 7 6.139 -19.346 8.021 53 HE1 HIS 7 HE1 HIS 7 3.623 -19.050 4.617 54 HE2 HIS 7 HE2 HIS 7 3.814 -18.694 7.093 55 H HIS 8 H HIS 8 6.257 -23.153 6.568 56 HA HIS 8 HA HIS 8 6.393 -24.696 4.113 57 HB2 HIS 8 HB2 HIS 8 5.682 -25.728 6.277 58 HB3 HIS 8 HB3 HIS 8 4.247 -24.711 6.297 59 HD1 HIS 8 HD1 HIS 8 2.302 -25.373 4.717 60 HD2 HIS 8 HD2 HIS 8 5.604 -27.884 4.447 61 HE1 HIS 8 HE1 HIS 8 1.539 -27.337 3.354 62 HE2 HIS 8 HE2 HIS 8 3.592 -28.765 3.085 63 H SER 9 H SER 9 4.631 -24.867 2.571 64 HA SER 9 HA SER 9 3.710 -22.410 1.512 65 HB2 SER 9 HB2 SER 9 2.614 -23.832 -0.205 66 HB3 SER 9 HB3 SER 9 4.256 -24.386 0.122 67 HG SER 9 HG SER 9 2.814 -26.134 0.068 68 H HIS 10 H HIS 10 1.403 -22.075 0.784 69 HA HIS 10 HA HIS 10 -0.423 -22.106 3.066 70 HB2 HIS 10 HB2 HIS 10 -0.941 -20.985 0.278 71 HB3 HIS 10 HB3 HIS 10 -1.784 -20.573 1.763 72 HD1 HIS 10 HD1 HIS 10 -0.312 -18.580 -0.228 73 HD2 HIS 10 HD2 HIS 10 1.156 -19.910 3.428 74 HE1 HIS 10 HE1 HIS 10 1.338 -16.835 0.499 75 HE2 HIS 10 HE2 HIS 10 2.338 -17.756 2.611 76 H MET 11 H MET 11 -0.145 -24.716 2.442 77 HA MET 11 HA MET 11 -1.855 -25.583 0.261 78 HB2 MET 11 HB2 MET 11 0.385 -26.650 0.799 79 HB3 MET 11 HB3 MET 11 -0.349 -27.348 2.239 80 HG2 MET 11 HG2 MET 11 -0.279 -28.980 0.416 81 HG3 MET 11 HG3 MET 11 -1.954 -28.576 0.811 82 HE1 MET 11 HE1 MET 11 -1.238 -30.053 -1.906 83 HE2 MET 11 HE2 MET 11 -2.144 -29.120 -3.096 84 HE3 MET 11 HE3 MET 11 -2.886 -29.528 -1.549 85 H ILE 12 H ILE 12 -3.729 -24.543 1.390 86 HA ILE 12 HA ILE 12 -5.333 -26.644 2.735 87 HB ILE 12 HB ILE 12 -5.554 -23.602 3.060 88 HG12 ILE 12 HG12 ILE 12 -3.716 -24.660 4.381 89 HG13 ILE 12 HG13 ILE 12 -4.952 -23.950 5.396 90 HG21 ILE 12 HG21 ILE 12 -7.408 -24.037 4.661 91 HG22 ILE 12 HG22 ILE 12 -7.372 -25.749 4.228 92 HG23 ILE 12 HG23 ILE 12 -7.808 -24.541 3.018 93 HD11 ILE 12 HD11 ILE 12 -4.136 -26.084 6.268 94 HD12 ILE 12 HD12 ILE 12 -4.669 -26.899 4.799 95 HD13 ILE 12 HD13 ILE 12 -5.855 -26.166 5.884 96 H LYS 13 H LYS 13 -6.806 -27.417 1.321 97 HA LYS 13 HA LYS 13 -7.228 -26.349 -1.283 98 HB2 LYS 13 HB2 LYS 13 -7.280 -28.769 -0.758 99 HB3 LYS 13 HB3 LYS 13 -8.723 -28.533 0.221 100 HG2 LYS 13 HG2 LYS 13 -9.931 -27.781 -1.864 101 HG3 LYS 13 HG3 LYS 13 -8.490 -28.207 -2.792 102 HD2 LYS 13 HD2 LYS 13 -10.142 -30.019 -2.894 103 HD3 LYS 13 HD3 LYS 13 -8.697 -30.557 -2.034 104 HE2 LYS 13 HE2 LYS 13 -9.887 -30.143 0.137 105 HE3 LYS 13 HE3 LYS 13 -11.337 -29.706 -0.773 106 HZ1 LYS 13 HZ1 LYS 13 -11.491 -31.958 -0.077 107 HZ2 LYS 13 HZ2 LYS 13 -9.982 -32.345 -0.733 108 HZ3 LYS 13 HZ3 LYS 13 -11.274 -31.950 -1.749 109 H ARG 14 H ARG 14 -8.051 -24.238 -0.984 110 HA ARG 14 HA ARG 14 -10.980 -24.114 -0.581 111 HB2 ARG 14 HB2 ARG 14 -8.993 -22.003 0.379 112 HB3 ARG 14 HB3 ARG 14 -10.746 -21.822 0.379 113 HG2 ARG 14 HG2 ARG 14 -10.878 -23.755 1.991 114 HG3 ARG 14 HG3 ARG 14 -9.110 -23.757 2.057 115 HD2 ARG 14 HD2 ARG 14 -10.971 -21.504 2.910 116 HD3 ARG 14 HD3 ARG 14 -9.996 -22.529 3.965 117 HE ARG 14 HE ARG 14 -8.009 -21.512 2.796 118 HH11 ARG 14 HH11 ARG 14 -10.961 -19.707 3.056 119 HH12 ARG 14 HH12 ARG 14 -10.142 -18.191 2.999 120 HH21 ARG 14 HH21 ARG 14 -7.020 -19.554 2.727 121 HH22 ARG 14 HH22 ARG 14 -7.953 -18.101 2.813 122 H THR 15 H THR 15 -11.786 -23.697 -2.560 123 HA THR 15 HA THR 15 -10.448 -21.893 -4.453 124 HB THR 15 HB THR 15 -12.350 -22.431 -5.991 125 HG1 THR 15 HG1 THR 15 -13.516 -24.469 -4.902 126 HG21 THR 15 HG21 THR 15 -10.328 -23.877 -6.010 127 HG22 THR 15 HG22 THR 15 -11.787 -24.795 -6.383 128 HG23 THR 15 HG23 THR 15 -11.061 -24.912 -4.779 129 H ASN 16 H ASN 16 -12.308 -21.373 -1.773 130 HA ASN 16 HA ASN 16 -13.681 -18.985 -2.722 131 HB2 ASN 16 HB2 ASN 16 -14.152 -18.564 -0.291 132 HB3 ASN 16 HB3 ASN 16 -14.720 -20.126 -0.858 133 HD21 ASN 16 HD21 ASN 16 -13.762 -22.004 -0.068 134 HD22 ASN 16 HD22 ASN 16 -12.726 -22.000 1.313 135 H GLU 17 H GLU 17 -13.157 -16.866 -1.407 136 HA GLU 17 HA GLU 17 -11.885 -15.018 -1.618 137 HB2 GLU 17 HB2 GLU 17 -10.818 -15.934 0.432 138 HB3 GLU 17 HB3 GLU 17 -9.651 -16.795 -0.558 139 HG2 GLU 17 HG2 GLU 17 -8.569 -14.847 0.346 140 HG3 GLU 17 HG3 GLU 17 -8.781 -14.601 -1.385 141 HA PRO 18 HA PRO 18 -10.285 -16.177 -5.914 142 HB2 PRO 18 HB2 PRO 18 -12.063 -13.811 -6.504 143 HB3 PRO 18 HB3 PRO 18 -11.877 -15.332 -7.393 144 HG2 PRO 18 HG2 PRO 18 -14.048 -14.912 -5.903 145 HG3 PRO 18 HG3 PRO 18 -13.281 -16.516 -5.937 146 HD2 PRO 18 HD2 PRO 18 -13.093 -14.371 -3.819 147 HD3 PRO 18 HD3 PRO 18 -13.285 -16.128 -3.628 148 H LEU 19 H LEU 19 -9.089 -14.726 -7.392 149 HA LEU 19 HA LEU 19 -7.411 -12.781 -6.140 150 HB2 LEU 19 HB2 LEU 19 -7.726 -13.942 -8.877 151 HB3 LEU 19 HB3 LEU 19 -7.015 -12.345 -8.837 152 HG LEU 19 HG LEU 19 -5.376 -14.302 -8.854 153 HD11 LEU 19 HD11 LEU 19 -3.826 -13.241 -7.284 154 HD12 LEU 19 HD12 LEU 19 -5.154 -12.325 -6.563 155 HD13 LEU 19 HD13 LEU 19 -4.684 -12.040 -8.243 156 HD21 LEU 19 HD21 LEU 19 -4.892 -15.422 -6.724 157 HD22 LEU 19 HD22 LEU 19 -6.535 -15.773 -7.258 158 HD23 LEU 19 HD23 LEU 19 -6.262 -14.599 -5.964 159 H ASP 20 H ASP 20 -10.323 -12.556 -8.117 160 HA ASP 20 HA ASP 20 -10.455 -9.752 -8.423 161 HB2 ASP 20 HB2 ASP 20 -11.859 -11.324 -9.711 162 HB3 ASP 20 HB3 ASP 20 -12.730 -11.776 -8.245 163 H LYS 21 H LYS 21 -11.883 -11.863 -5.903 164 HA LYS 21 HA LYS 21 -12.885 -9.672 -4.331 165 HB2 LYS 21 HB2 LYS 21 -12.640 -12.630 -3.725 166 HB3 LYS 21 HB3 LYS 21 -13.198 -11.478 -2.516 167 HG2 LYS 21 HG2 LYS 21 -14.994 -10.782 -4.195 168 HG3 LYS 21 HG3 LYS 21 -14.522 -12.192 -5.151 169 HD2 LYS 21 HD2 LYS 21 -15.146 -13.694 -3.339 170 HD3 LYS 21 HD3 LYS 21 -15.426 -12.335 -2.244 171 HE2 LYS 21 HE2 LYS 21 -17.292 -11.577 -3.716 172 HE3 LYS 21 HE3 LYS 21 -17.038 -12.995 -4.735 173 HZ1 LYS 21 HZ1 LYS 21 -17.573 -14.397 -2.868 174 HZ2 LYS 21 HZ2 LYS 21 -18.833 -13.309 -3.158 175 HZ3 LYS 21 HZ3 LYS 21 -17.772 -13.052 -1.864 176 H LYS 22 H LYS 22 -9.807 -11.392 -4.390 177 HA LYS 22 HA LYS 22 -8.782 -10.416 -1.924 178 HB2 LYS 22 HB2 LYS 22 -7.596 -12.208 -3.059 179 HB3 LYS 22 HB3 LYS 22 -7.324 -11.209 -4.480 180 HG2 LYS 22 HG2 LYS 22 -5.700 -9.862 -3.379 181 HG3 LYS 22 HG3 LYS 22 -6.181 -10.437 -1.780 182 HD2 LYS 22 HD2 LYS 22 -4.846 -12.155 -3.911 183 HD3 LYS 22 HD3 LYS 22 -3.994 -11.369 -2.576 184 HE2 LYS 22 HE2 LYS 22 -5.388 -12.658 -0.970 185 HE3 LYS 22 HE3 LYS 22 -6.153 -13.492 -2.326 186 HZ1 LYS 22 HZ1 LYS 22 -3.986 -14.380 -2.941 187 HZ2 LYS 22 HZ2 LYS 22 -4.393 -14.811 -1.360 188 HZ3 LYS 22 HZ3 LYS 22 -3.267 -13.580 -1.634 189 H ARG 23 H ARG 23 -8.403 -9.158 -5.261 190 HA ARG 23 HA ARG 23 -7.164 -6.724 -4.754 191 HB2 ARG 23 HB2 ARG 23 -9.272 -7.396 -6.838 192 HB3 ARG 23 HB3 ARG 23 -8.419 -5.853 -6.812 193 HG2 ARG 23 HG2 ARG 23 -6.283 -6.990 -7.122 194 HG3 ARG 23 HG3 ARG 23 -7.084 -8.566 -7.085 195 HD2 ARG 23 HD2 ARG 23 -7.434 -6.392 -9.187 196 HD3 ARG 23 HD3 ARG 23 -6.573 -7.922 -9.384 197 HE ARG 23 HE ARG 23 -9.453 -7.970 -8.771 198 HH11 ARG 23 HH11 ARG 23 -6.924 -8.667 -11.028 199 HH12 ARG 23 HH12 ARG 23 -7.992 -9.435 -12.144 200 HH21 ARG 23 HH21 ARG 23 -10.801 -8.942 -10.230 201 HH22 ARG 23 HH22 ARG 23 -10.156 -9.599 -11.691 202 H ALA 24 H ALA 24 -10.702 -7.333 -4.780 203 HA ALA 24 HA ALA 24 -11.597 -4.743 -4.149 204 HB1 ALA 24 HB1 ALA 24 -13.716 -5.830 -3.501 205 HB2 ALA 24 HB2 ALA 24 -12.903 -7.399 -3.449 206 HB3 ALA 24 HB3 ALA 24 -13.071 -6.539 -4.983 207 H ARG 25 H ARG 25 -10.905 -7.487 -1.987 208 HA ARG 25 HA ARG 25 -11.595 -6.290 0.481 209 HB2 ARG 25 HB2 ARG 25 -11.526 -8.713 0.115 210 HB3 ARG 25 HB3 ARG 25 -9.799 -8.672 -0.171 211 HG2 ARG 25 HG2 ARG 25 -10.685 -7.679 2.507 212 HG3 ARG 25 HG3 ARG 25 -10.962 -9.393 2.195 213 HD2 ARG 25 HD2 ARG 25 -8.282 -7.962 2.002 214 HD3 ARG 25 HD3 ARG 25 -8.801 -9.024 3.316 215 HE ARG 25 HE ARG 25 -8.895 -10.332 0.752 216 HH11 ARG 25 HH11 ARG 25 -6.795 -9.572 3.395 217 HH12 ARG 25 HH12 ARG 25 -5.619 -10.744 2.934 218 HH21 ARG 25 HH21 ARG 25 -7.408 -11.845 0.212 219 HH22 ARG 25 HH22 ARG 25 -5.956 -12.020 1.141 220 H LEU 26 H LEU 26 -8.534 -6.268 -1.319 221 HA LEU 26 HA LEU 26 -6.997 -5.185 0.891 222 HB2 LEU 26 HB2 LEU 26 -6.251 -5.428 -2.037 223 HB3 LEU 26 HB3 LEU 26 -5.161 -4.950 -0.748 224 HG LEU 26 HG LEU 26 -6.427 -7.707 -1.108 225 HD11 LEU 26 HD11 LEU 26 -4.568 -7.260 -2.622 226 HD12 LEU 26 HD12 LEU 26 -4.141 -8.477 -1.423 227 HD13 LEU 26 HD13 LEU 26 -3.534 -6.826 -1.257 228 HD21 LEU 26 HD21 LEU 26 -5.142 -8.388 0.882 229 HD22 LEU 26 HD22 LEU 26 -6.366 -7.183 1.269 230 HD23 LEU 26 HD23 LEU 26 -4.669 -6.705 1.153 231 H ILE 27 H ILE 27 -8.318 -3.817 -2.163 232 HA ILE 27 HA ILE 27 -7.679 -1.097 -1.767 233 HB ILE 27 HB ILE 27 -10.204 -2.209 -3.090 234 HG12 ILE 27 HG12 ILE 27 -7.567 -1.528 -4.453 235 HG13 ILE 27 HG13 ILE 27 -8.045 -3.155 -4.016 236 HG21 ILE 27 HG21 ILE 27 -10.375 0.222 -2.682 237 HG22 ILE 27 HG22 ILE 27 -10.254 -0.111 -4.408 238 HG23 ILE 27 HG23 ILE 27 -8.844 0.480 -3.524 239 HD11 ILE 27 HD11 ILE 27 -9.346 -1.367 -6.056 240 HD12 ILE 27 HD12 ILE 27 -9.982 -2.939 -5.559 241 HD13 ILE 27 HD13 ILE 27 -8.402 -2.834 -6.341 242 H TYR 28 H TYR 28 -10.160 -3.094 -0.333 243 HA TYR 28 HA TYR 28 -11.788 -1.108 0.895 244 HB2 TYR 28 HB2 TYR 28 -12.532 -3.411 0.433 245 HB3 TYR 28 HB3 TYR 28 -11.340 -4.046 1.554 246 HD1 TYR 28 HD2 TYR 28 -14.597 -2.318 1.258 247 HD2 TYR 28 HD1 TYR 28 -11.733 -3.951 3.985 248 HE1 TYR 28 HE2 TYR 28 -16.267 -2.242 3.066 249 HE2 TYR 28 HE1 TYR 28 -13.386 -3.865 5.781 250 HH TYR 28 HH TYR 28 -16.657 -3.523 5.252 251 H GLN 29 H GLN 29 -9.085 -3.115 2.177 252 HA GLN 29 HA GLN 29 -9.146 -1.936 4.818 253 HB2 GLN 29 HB2 GLN 29 -6.970 -3.611 3.515 254 HB3 GLN 29 HB3 GLN 29 -7.071 -3.221 5.229 255 HG2 GLN 29 HG2 GLN 29 -9.104 -4.554 5.445 256 HG3 GLN 29 HG3 GLN 29 -9.110 -4.883 3.709 257 HE21 GLN 29 HE21 GLN 29 -7.339 -6.173 2.849 258 HE22 GLN 29 HE22 GLN 29 -6.482 -7.273 3.867 259 H SER 30 H SER 30 -7.547 -1.127 1.831 260 HA SER 30 HA SER 30 -5.300 0.308 2.864 261 HB2 SER 30 HB2 SER 30 -5.020 1.161 0.596 262 HB3 SER 30 HB3 SER 30 -5.428 -0.550 0.525 263 HG SER 30 HG SER 30 -6.583 1.256 -0.817 264 H ARG 31 H ARG 31 -8.572 1.248 1.962 265 HA ARG 31 HA ARG 31 -8.147 4.061 2.551 266 HB2 ARG 31 HB2 ARG 31 -10.481 4.360 1.901 267 HB3 ARG 31 HB3 ARG 31 -9.627 3.387 0.707 268 HG2 ARG 31 HG2 ARG 31 -10.654 1.339 1.653 269 HG3 ARG 31 HG3 ARG 31 -11.535 2.329 2.824 270 HD2 ARG 31 HD2 ARG 31 -11.834 2.390 -0.204 271 HD3 ARG 31 HD3 ARG 31 -13.001 1.752 0.962 272 HE ARG 31 HE ARG 31 -12.346 4.540 1.356 273 HH11 ARG 31 HH11 ARG 31 -14.492 2.398 -0.302 274 HH12 ARG 31 HH12 ARG 31 -15.666 3.635 -0.580 275 HH21 ARG 31 HH21 ARG 31 -13.844 6.085 0.991 276 HH22 ARG 31 HH22 ARG 31 -15.306 5.702 0.151 277 H LYS 32 H LYS 32 -8.689 1.366 4.553 278 HA LYS 32 HA LYS 32 -9.956 2.874 6.722 279 HB2 LYS 32 HB2 LYS 32 -8.497 0.199 6.695 280 HB3 LYS 32 HB3 LYS 32 -9.217 0.917 8.137 281 HG2 LYS 32 HG2 LYS 32 -11.446 0.841 6.997 282 HG3 LYS 32 HG3 LYS 32 -10.691 -0.021 5.646 283 HD2 LYS 32 HD2 LYS 32 -10.108 -1.881 7.087 284 HD3 LYS 32 HD3 LYS 32 -10.615 -0.985 8.524 285 HE2 LYS 32 HE2 LYS 32 -12.444 -1.888 6.285 286 HE3 LYS 32 HE3 LYS 32 -12.266 -2.695 7.842 287 HZ1 LYS 32 HZ1 LYS 32 -13.090 -0.693 8.924 288 HZ2 LYS 32 HZ2 LYS 32 -14.208 -1.286 7.806 289 HZ3 LYS 32 HZ3 LYS 32 -13.273 0.068 7.425 290 H ARG 33 H ARG 33 -8.780 4.498 7.692 291 HA ARG 33 HA ARG 33 -5.922 4.238 8.271 292 HB2 ARG 33 HB2 ARG 33 -6.948 6.415 6.380 293 HB3 ARG 33 HB3 ARG 33 -5.331 6.381 7.070 294 HG2 ARG 33 HG2 ARG 33 -6.374 4.150 5.304 295 HG3 ARG 33 HG3 ARG 33 -5.626 5.592 4.634 296 HD2 ARG 33 HD2 ARG 33 -4.143 3.502 4.928 297 HD3 ARG 33 HD3 ARG 33 -3.504 5.041 5.485 298 HE ARG 33 HE ARG 33 -4.136 4.322 7.766 299 HH11 ARG 33 HH11 ARG 33 -3.668 1.794 5.444 300 HH12 ARG 33 HH12 ARG 33 -3.099 0.691 6.644 301 HH21 ARG 33 HH21 ARG 33 -3.388 2.918 9.234 302 HH22 ARG 33 HH22 ARG 33 -2.948 1.319 8.754 303 H GLY 34 H GLY 34 -5.123 5.726 9.801 304 HA2 GLY 34 HA2 GLY 34 -7.007 7.125 11.487 305 HA3 GLY 34 HA3 GLY 34 -5.259 7.107 11.644 306 H ILE 35 H ILE 35 -4.961 8.023 8.788 307 HA ILE 35 HA ILE 35 -5.781 10.866 9.012 308 HB ILE 35 HB ILE 35 -3.580 11.529 7.992 309 HG12 ILE 35 HG12 ILE 35 -2.742 8.645 8.585 310 HG13 ILE 35 HG13 ILE 35 -2.991 9.315 6.977 311 HG21 ILE 35 HG21 ILE 35 -2.257 11.359 10.052 312 HG22 ILE 35 HG22 ILE 35 -3.342 10.113 10.668 313 HG23 ILE 35 HG23 ILE 35 -3.939 11.755 10.407 314 HD11 ILE 35 HD11 ILE 35 -1.113 10.845 7.331 315 HD12 ILE 35 HD12 ILE 35 -0.644 9.156 7.518 316 HD13 ILE 35 HD13 ILE 35 -0.870 10.165 8.943 317 H LEU 36 H LEU 36 -6.060 12.007 7.059 318 HA LEU 36 HA LEU 36 -6.987 10.535 4.787 319 HB2 LEU 36 HB2 LEU 36 -7.963 12.720 5.509 320 HB3 LEU 36 HB3 LEU 36 -6.475 13.522 5.038 321 HG LEU 36 HG LEU 36 -6.884 12.804 2.660 322 HD11 LEU 36 HD11 LEU 36 -8.268 10.835 3.051 323 HD12 LEU 36 HD12 LEU 36 -9.086 11.973 1.987 324 HD13 LEU 36 HD13 LEU 36 -9.573 11.845 3.680 325 HD21 LEU 36 HD21 LEU 36 -9.107 14.469 3.879 326 HD22 LEU 36 HD22 LEU 36 -8.643 14.442 2.175 327 HD23 LEU 36 HD23 LEU 36 -7.516 15.052 3.383 328 H GLU 37 H GLU 37 -3.903 12.027 5.592 329 HA GLU 37 HA GLU 37 -2.784 12.406 3.057 330 HB2 GLU 37 HB2 GLU 37 -1.428 11.698 5.695 331 HB3 GLU 37 HB3 GLU 37 -0.518 12.058 4.229 332 HG2 GLU 37 HG2 GLU 37 -2.366 13.933 5.734 333 HG3 GLU 37 HG3 GLU 37 -0.610 14.021 5.634 334 H THR 38 H THR 38 -2.442 9.495 5.116 335 HA THR 38 HA THR 38 -1.202 7.920 3.060 336 HB THR 38 HB THR 38 -2.503 6.778 5.554 337 HG1 THR 38 HG1 THR 38 0.154 7.276 5.766 338 HG21 THR 38 HG21 THR 38 -1.673 5.121 3.888 339 HG22 THR 38 HG22 THR 38 -0.709 5.082 5.365 340 HG23 THR 38 HG23 THR 38 -0.081 5.888 3.927 341 H ASP 39 H ASP 39 -4.557 8.411 4.077 342 HA ASP 39 HA ASP 39 -5.806 6.284 2.720 343 HB2 ASP 39 HB2 ASP 39 -7.044 7.716 4.279 344 HB3 ASP 39 HB3 ASP 39 -6.812 9.116 3.235 345 H LEU 40 H LEU 40 -5.118 9.596 1.512 346 HA LEU 40 HA LEU 40 -5.979 9.276 -1.157 347 HB2 LEU 40 HB2 LEU 40 -3.825 11.122 -0.054 348 HB3 LEU 40 HB3 LEU 40 -4.573 11.287 -1.639 349 HG LEU 40 HG LEU 40 -5.980 11.618 1.045 350 HD11 LEU 40 HD11 LEU 40 -4.476 13.480 0.570 351 HD12 LEU 40 HD12 LEU 40 -6.160 13.988 0.469 352 HD13 LEU 40 HD13 LEU 40 -5.231 13.719 -1.010 353 HD21 LEU 40 HD21 LEU 40 -7.941 12.367 -0.246 354 HD22 LEU 40 HD22 LEU 40 -7.532 10.691 -0.596 355 HD23 LEU 40 HD23 LEU 40 -7.113 11.959 -1.752 356 H LEU 41 H LEU 41 -2.990 8.427 0.432 357 HA LEU 41 HA LEU 41 -1.397 7.845 -1.877 358 HB2 LEU 41 HB2 LEU 41 -0.386 8.368 0.275 359 HB3 LEU 41 HB3 LEU 41 -1.208 7.018 1.037 360 HG LEU 41 HG LEU 41 0.183 5.446 -0.370 361 HD11 LEU 41 HD11 LEU 41 2.203 6.267 -1.478 362 HD12 LEU 41 HD12 LEU 41 1.739 7.937 -1.135 363 HD13 LEU 41 HD13 LEU 41 0.755 6.949 -2.221 364 HD21 LEU 41 HD21 LEU 41 1.706 7.318 1.473 365 HD22 LEU 41 HD22 LEU 41 2.226 5.700 0.985 366 HD23 LEU 41 HD23 LEU 41 0.769 5.898 1.955 367 H LEU 42 H LEU 42 -3.028 5.647 0.464 368 HA LEU 42 HA LEU 42 -2.307 3.290 -1.009 369 HB2 LEU 42 HB2 LEU 42 -3.936 3.702 1.507 370 HB3 LEU 42 HB3 LEU 42 -3.692 2.114 0.795 371 HG LEU 42 HG LEU 42 -1.500 3.930 1.876 372 HD11 LEU 42 HD11 LEU 42 -1.224 2.215 3.610 373 HD12 LEU 42 HD12 LEU 42 -2.594 1.310 2.959 374 HD13 LEU 42 HD13 LEU 42 -2.840 2.916 3.650 375 HD21 LEU 42 HD21 LEU 42 -1.266 1.155 0.642 376 HD22 LEU 42 HD22 LEU 42 0.037 2.041 1.443 377 HD23 LEU 42 HD23 LEU 42 -0.662 2.667 -0.046 378 H SER 43 H SER 43 -5.403 5.032 -0.529 379 HA SER 43 HA SER 43 -7.099 3.124 -1.769 380 HB2 SER 43 HB2 SER 43 -8.052 4.942 -0.419 381 HB3 SER 43 HB3 SER 43 -7.460 6.145 -1.563 382 HG SER 43 HG SER 43 -9.445 5.883 -2.295 383 H GLY 44 H GLY 44 -5.425 5.967 -3.137 384 HA2 GLY 44 HA2 GLY 44 -6.256 5.626 -5.848 385 HA3 GLY 44 HA3 GLY 44 -4.890 6.581 -5.297 386 H PHE 45 H PHE 45 -3.288 4.640 -4.121 387 HA PHE 45 HA PHE 45 -1.861 3.398 -6.205 388 HB2 PHE 45 HB2 PHE 45 -0.838 3.856 -4.018 389 HB3 PHE 45 HB3 PHE 45 -1.936 2.738 -3.223 390 HD1 PHE 45 HD1 PHE 45 0.972 2.962 -5.532 391 HD2 PHE 45 HD2 PHE 45 -1.444 0.360 -3.153 392 HE1 PHE 45 HE1 PHE 45 2.602 1.152 -5.829 393 HE2 PHE 45 HE2 PHE 45 0.206 -1.441 -3.458 394 HZ PHE 45 HZ PHE 45 2.229 -1.044 -4.798 395 H ALA 46 H ALA 46 -4.380 2.186 -4.082 396 HA ALA 46 HA ALA 46 -4.290 -0.527 -4.913 397 HB1 ALA 46 HB1 ALA 46 -6.514 0.969 -3.509 398 HB2 ALA 46 HB2 ALA 46 -5.144 0.182 -2.721 399 HB3 ALA 46 HB3 ALA 46 -6.324 -0.785 -3.602 400 H ALA 47 H ALA 47 -6.208 2.265 -5.917 401 HA ALA 47 HA ALA 47 -7.922 0.876 -7.735 402 HB1 ALA 47 HB1 ALA 47 -8.582 3.121 -8.497 403 HB2 ALA 47 HB2 ALA 47 -7.216 3.828 -7.623 404 HB3 ALA 47 HB3 ALA 47 -8.521 3.039 -6.736 405 H LYS 48 H LYS 48 -4.675 2.167 -8.079 406 HA LYS 48 HA LYS 48 -4.730 1.996 -11.011 407 HB2 LYS 48 HB2 LYS 48 -3.618 3.920 -9.893 408 HB3 LYS 48 HB3 LYS 48 -2.467 2.814 -9.149 409 HG2 LYS 48 HG2 LYS 48 -1.636 2.179 -11.410 410 HG3 LYS 48 HG3 LYS 48 -2.774 3.318 -12.138 411 HD2 LYS 48 HD2 LYS 48 -0.540 4.069 -10.210 412 HD3 LYS 48 HD3 LYS 48 -0.445 4.219 -11.957 413 HE2 LYS 48 HE2 LYS 48 -2.303 5.857 -11.911 414 HE3 LYS 48 HE3 LYS 48 -2.397 5.690 -10.157 415 HZ1 LYS 48 HZ1 LYS 48 -1.147 7.633 -10.753 416 HZ2 LYS 48 HZ2 LYS 48 -0.082 6.719 -11.693 417 HZ3 LYS 48 HZ3 LYS 48 -0.113 6.509 -10.018 418 H TYR 49 H TYR 49 -2.824 0.505 -8.360 419 HA TYR 49 HA TYR 49 -1.242 -1.069 -10.200 420 HB2 TYR 49 HB2 TYR 49 -1.134 -0.648 -7.203 421 HB3 TYR 49 HB3 TYR 49 -0.116 -1.843 -8.004 422 HD1 TYR 49 HD1 TYR 49 -1.002 1.820 -8.236 423 HD2 TYR 49 HD2 TYR 49 2.001 -1.171 -8.785 424 HE1 TYR 49 HE1 TYR 49 0.648 3.565 -8.755 425 HE2 TYR 49 HE2 TYR 49 3.635 0.576 -9.311 426 HH TYR 49 HH TYR 49 3.811 2.817 -9.984 427 H LEU 50 H LEU 50 -3.587 -1.892 -7.573 428 HA LEU 50 HA LEU 50 -3.177 -4.664 -7.526 429 HB2 LEU 50 HB2 LEU 50 -5.499 -2.936 -6.732 430 HB3 LEU 50 HB3 LEU 50 -5.779 -4.666 -6.830 431 HG LEU 50 HG LEU 50 -3.787 -4.965 -5.257 432 HD11 LEU 50 HD11 LEU 50 -2.814 -2.704 -5.541 433 HD12 LEU 50 HD12 LEU 50 -3.091 -3.166 -3.863 434 HD13 LEU 50 HD13 LEU 50 -4.201 -2.052 -4.658 435 HD21 LEU 50 HD21 LEU 50 -6.221 -3.536 -4.188 436 HD22 LEU 50 HD22 LEU 50 -5.096 -4.521 -3.254 437 HD23 LEU 50 HD23 LEU 50 -6.081 -5.266 -4.507 438 H LYS 51 H LYS 51 -5.075 -2.821 -9.756 439 HA LYS 51 HA LYS 51 -6.745 -4.731 -10.930 440 HB2 LYS 51 HB2 LYS 51 -5.524 -2.139 -11.889 441 HB3 LYS 51 HB3 LYS 51 -6.424 -3.119 -13.031 442 HG2 LYS 51 HG2 LYS 51 -7.767 -1.290 -12.015 443 HG3 LYS 51 HG3 LYS 51 -8.461 -2.893 -11.772 444 HD2 LYS 51 HD2 LYS 51 -7.759 -2.919 -9.448 445 HD3 LYS 51 HD3 LYS 51 -6.804 -1.449 -9.661 446 HE2 LYS 51 HE2 LYS 51 -8.981 -1.058 -8.492 447 HE3 LYS 51 HE3 LYS 51 -8.806 -0.118 -9.972 448 HZ1 LYS 51 HZ1 LYS 51 -11.011 -1.104 -9.715 449 HZ2 LYS 51 HZ2 LYS 51 -10.331 -2.651 -9.747 450 HZ3 LYS 51 HZ3 LYS 51 -10.231 -1.659 -11.109 451 H LYS 52 H LYS 52 -3.323 -4.110 -11.527 452 HA LYS 52 HA LYS 52 -3.183 -6.348 -13.487 453 HB2 LYS 52 HB2 LYS 52 -1.472 -3.829 -13.313 454 HB3 LYS 52 HB3 LYS 52 -1.175 -5.161 -14.429 455 HG2 LYS 52 HG2 LYS 52 -3.243 -4.731 -15.611 456 HG3 LYS 52 HG3 LYS 52 -3.754 -3.551 -14.402 457 HD2 LYS 52 HD2 LYS 52 -1.343 -3.242 -16.241 458 HD3 LYS 52 HD3 LYS 52 -2.921 -2.496 -16.508 459 HE2 LYS 52 HE2 LYS 52 -2.664 -1.243 -14.369 460 HE3 LYS 52 HE3 LYS 52 -1.069 -1.968 -14.152 461 HZ1 LYS 52 HZ1 LYS 52 -0.858 0.207 -15.076 462 HZ2 LYS 52 HZ2 LYS 52 -1.907 -0.167 -16.347 463 HZ3 LYS 52 HZ3 LYS 52 -0.399 -0.919 -16.248 464 H MET 53 H MET 53 -2.430 -5.634 -10.331 465 HA MET 53 HA MET 53 0.221 -6.643 -10.085 466 HB2 MET 53 HB2 MET 53 -0.854 -5.011 -8.500 467 HB3 MET 53 HB3 MET 53 -1.938 -6.288 -7.956 468 HG2 MET 53 HG2 MET 53 0.093 -7.593 -7.292 469 HG3 MET 53 HG3 MET 53 1.047 -6.160 -7.643 470 HE1 MET 53 HE1 MET 53 -0.248 -3.679 -4.845 471 HE2 MET 53 HE2 MET 53 -0.823 -3.769 -6.520 472 HE3 MET 53 HE3 MET 53 0.905 -3.892 -6.163 473 H ASN 54 H ASN 54 0.919 -8.682 -9.540 474 HA ASN 54 HA ASN 54 -0.862 -10.960 -9.754 475 HB2 ASN 54 HB2 ASN 54 1.276 -12.290 -9.411 476 HB3 ASN 54 HB3 ASN 54 1.281 -11.207 -10.798 477 HD21 ASN 54 HD21 ASN 54 3.578 -11.274 -10.789 478 HD22 ASN 54 HD22 ASN 54 4.501 -10.363 -9.654 479 H GLU 55 H GLU 55 -0.838 -12.740 -8.095 480 HA GLU 55 HA GLU 55 -1.659 -11.867 -5.546 481 HB2 GLU 55 HB2 GLU 55 -2.469 -13.952 -6.548 482 HB3 GLU 55 HB3 GLU 55 -0.852 -14.642 -6.498 483 HG2 GLU 55 HG2 GLU 55 -0.884 -14.699 -4.085 484 HG3 GLU 55 HG3 GLU 55 -2.411 -13.824 -4.042 485 H GLU 56 H GLU 56 1.459 -12.868 -6.758 486 HA GLU 56 HA GLU 56 2.963 -13.375 -4.484 487 HB2 GLU 56 HB2 GLU 56 3.849 -11.851 -6.976 488 HB3 GLU 56 HB3 GLU 56 4.912 -12.665 -5.828 489 HG2 GLU 56 HG2 GLU 56 4.041 -14.840 -6.478 490 HG3 GLU 56 HG3 GLU 56 2.824 -14.087 -7.510 491 H GLU 57 H GLU 57 2.517 -10.172 -6.076 492 HA GLU 57 HA GLU 57 3.543 -8.709 -3.810 493 HB2 GLU 57 HB2 GLU 57 2.219 -7.761 -6.363 494 HB3 GLU 57 HB3 GLU 57 2.688 -6.662 -5.071 495 HG2 GLU 57 HG2 GLU 57 5.059 -7.700 -5.365 496 HG3 GLU 57 HG3 GLU 57 4.443 -8.283 -6.912 497 H LEU 58 H LEU 58 0.272 -9.670 -4.826 498 HA LEU 58 HA LEU 58 -1.196 -7.792 -3.300 499 HB2 LEU 58 HB2 LEU 58 -1.977 -10.583 -4.217 500 HB3 LEU 58 HB3 LEU 58 -3.082 -9.513 -3.373 501 HG LEU 58 HG LEU 58 -1.807 -8.875 -6.065 502 HD11 LEU 58 HD11 LEU 58 -3.421 -10.709 -6.269 503 HD12 LEU 58 HD12 LEU 58 -4.020 -9.242 -7.038 504 HD13 LEU 58 HD13 LEU 58 -4.652 -9.733 -5.462 505 HD21 LEU 58 HD21 LEU 58 -3.969 -7.402 -4.531 506 HD22 LEU 58 HD22 LEU 58 -3.377 -6.996 -6.145 507 HD23 LEU 58 HD23 LEU 58 -2.305 -6.861 -4.757 508 H GLU 59 H GLU 59 0.131 -10.989 -2.370 509 HA GLU 59 HA GLU 59 -0.983 -10.976 0.276 510 HB2 GLU 59 HB2 GLU 59 0.531 -12.849 0.742 511 HB3 GLU 59 HB3 GLU 59 -0.275 -13.076 -0.801 512 HG2 GLU 59 HG2 GLU 59 1.758 -12.384 -1.991 513 HG3 GLU 59 HG3 GLU 59 2.574 -12.093 -0.455 514 H GLU 60 H GLU 60 1.981 -9.689 -1.140 515 HA GLU 60 HA GLU 60 3.270 -8.909 1.304 516 HB2 GLU 60 HB2 GLU 60 4.481 -9.242 -0.858 517 HB3 GLU 60 HB3 GLU 60 3.651 -7.845 -1.525 518 HG2 GLU 60 HG2 GLU 60 5.858 -7.156 -0.932 519 HG3 GLU 60 HG3 GLU 60 4.749 -6.421 0.220 520 H TYR 61 H TYR 61 1.062 -7.309 -0.971 521 HA TYR 61 HA TYR 61 1.042 -4.737 0.209 522 HB2 TYR 61 HB2 TYR 61 0.304 -5.155 -2.121 523 HB3 TYR 61 HB3 TYR 61 -1.076 -6.073 -1.526 524 HD1 TYR 61 HD2 TYR 61 0.493 -2.685 -1.018 525 HD2 TYR 61 HD1 TYR 61 -3.135 -4.907 -1.431 526 HE1 TYR 61 HE2 TYR 61 -0.795 -0.606 -0.914 527 HE2 TYR 61 HE1 TYR 61 -4.425 -2.826 -1.311 528 HH TYR 61 HH TYR 61 -4.289 -0.600 -0.810 529 H ASP 62 H ASP 62 -0.936 -7.631 0.634 530 HA ASP 62 HA ASP 62 -2.803 -6.679 2.498 531 HB2 ASP 62 HB2 ASP 62 -2.870 -8.877 1.280 532 HB3 ASP 62 HB3 ASP 62 -1.581 -9.465 2.323 533 H SER 63 H SER 63 0.474 -7.964 2.927 534 HA SER 63 HA SER 63 0.704 -7.773 5.746 535 HB2 SER 63 HB2 SER 63 2.883 -7.474 3.636 536 HB3 SER 63 HB3 SER 63 3.154 -7.800 5.350 537 HG SER 63 HG SER 63 2.132 -9.476 3.344 538 H LEU 64 H LEU 64 1.260 -5.370 3.177 539 HA LEU 64 HA LEU 64 2.317 -3.264 4.763 540 HB2 LEU 64 HB2 LEU 64 2.488 -3.422 2.264 541 HB3 LEU 64 HB3 LEU 64 0.767 -3.102 2.145 542 HG LEU 64 HG LEU 64 1.173 -0.841 3.196 543 HD11 LEU 64 HD11 LEU 64 4.104 -1.534 2.841 544 HD12 LEU 64 HD12 LEU 64 3.258 -1.262 4.370 545 HD13 LEU 64 HD13 LEU 64 3.465 0.067 3.234 546 HD21 LEU 64 HD21 LEU 64 2.090 0.215 1.164 547 HD22 LEU 64 HD22 LEU 64 0.915 -1.036 0.770 548 HD23 LEU 64 HD23 LEU 64 2.641 -1.361 0.587 549 H LEU 65 H LEU 65 -0.969 -4.330 4.092 550 HA LEU 65 HA LEU 65 -2.322 -2.050 5.256 551 HB2 LEU 65 HB2 LEU 65 -3.425 -4.825 4.696 552 HB3 LEU 65 HB3 LEU 65 -4.366 -3.362 4.975 553 HG LEU 65 HG LEU 65 -2.560 -3.880 2.585 554 HD11 LEU 65 HD11 LEU 65 -5.573 -3.764 2.695 555 HD12 LEU 65 HD12 LEU 65 -4.595 -5.222 2.520 556 HD13 LEU 65 HD13 LEU 65 -4.577 -3.995 1.257 557 HD21 LEU 65 HD21 LEU 65 -3.468 -1.791 1.638 558 HD22 LEU 65 HD22 LEU 65 -2.539 -1.507 3.107 559 HD23 LEU 65 HD23 LEU 65 -4.304 -1.470 3.161 560 H ASN 66 H ASN 66 -0.559 -4.499 6.720 561 HA ASN 66 HA ASN 66 -2.008 -4.210 9.295 562 HB2 ASN 66 HB2 ASN 66 0.057 -6.267 8.401 563 HB3 ASN 66 HB3 ASN 66 -0.519 -6.130 10.061 564 HD21 ASN 66 HD21 ASN 66 -1.352 -7.095 6.828 565 HD22 ASN 66 HD22 ASN 66 -2.833 -7.876 7.227 566 H GLU 67 H GLU 67 0.273 -2.529 7.729 567 HA GLU 67 HA GLU 67 2.111 -2.018 9.950 568 HB2 GLU 67 HB2 GLU 67 1.778 -0.376 7.401 569 HB3 GLU 67 HB3 GLU 67 3.161 -0.377 8.487 570 HG2 GLU 67 HG2 GLU 67 2.288 -2.645 6.679 571 HG3 GLU 67 HG3 GLU 67 3.636 -1.554 6.383 572 H LEU 68 H LEU 68 2.343 0.793 9.918 573 HA LEU 68 HA LEU 68 -0.299 1.822 10.825 574 HB2 LEU 68 HB2 LEU 68 2.503 2.805 11.518 575 HB3 LEU 68 HB3 LEU 68 1.008 3.547 12.075 576 HG LEU 68 HG LEU 68 1.915 0.721 12.784 577 HD11 LEU 68 HD11 LEU 68 1.931 3.240 14.490 578 HD12 LEU 68 HD12 LEU 68 3.350 2.411 13.844 579 HD13 LEU 68 HD13 LEU 68 2.336 1.611 15.043 580 HD21 LEU 68 HD21 LEU 68 -0.464 2.343 13.764 581 HD22 LEU 68 HD22 LEU 68 0.045 0.783 14.420 582 HD23 LEU 68 HD23 LEU 68 -0.520 0.895 12.756 583 H ASP 69 H ASP 69 -1.168 3.605 9.855 584 HA ASP 69 HA ASP 69 -0.666 4.362 7.287 585 HB2 ASP 69 HB2 ASP 69 -1.867 6.641 7.948 586 HB3 ASP 69 HB3 ASP 69 -2.732 5.119 7.992 587 H TRP 70 H TRP 70 0.498 6.316 10.087 588 HA TRP 70 HA TRP 70 1.859 8.287 8.685 589 HB2 TRP 70 HB2 TRP 70 2.355 7.124 11.437 590 HB3 TRP 70 HB3 TRP 70 3.402 8.390 10.804 591 HD1 TRP 70 HD1 TRP 70 0.303 8.036 12.757 592 HE1 TRP 70 HE1 TRP 70 -0.945 10.277 12.871 593 HE3 TRP 70 HE3 TRP 70 2.796 10.554 9.061 594 HZ2 TRP 70 HZ2 TRP 70 -0.893 12.786 11.567 595 HZ3 TRP 70 HZ3 TRP 70 2.127 12.863 8.540 596 HH2 TRP 70 HH2 TRP 70 0.313 13.953 9.761 597 H ASP 71 H ASP 71 3.174 5.108 9.708 598 HA ASP 71 HA ASP 71 5.845 5.605 8.849 599 HB2 ASP 71 HB2 ASP 71 4.426 2.936 9.258 600 HB3 ASP 71 HB3 ASP 71 6.171 3.150 9.113 601 H ILE 72 H ILE 72 3.148 3.818 7.306 602 HA ILE 72 HA ILE 72 4.291 3.046 4.880 603 HB ILE 72 HB ILE 72 1.429 4.016 5.345 604 HG12 ILE 72 HG12 ILE 72 2.470 1.148 5.374 605 HG13 ILE 72 HG13 ILE 72 2.151 2.097 6.821 606 HG21 ILE 72 HG21 ILE 72 2.494 2.310 3.058 607 HG22 ILE 72 HG22 ILE 72 1.906 3.970 2.937 608 HG23 ILE 72 HG23 ILE 72 0.791 2.672 3.358 609 HD11 ILE 72 HD11 ILE 72 0.345 0.544 6.356 610 HD12 ILE 72 HD12 ILE 72 0.095 1.264 4.766 611 HD13 ILE 72 HD13 ILE 72 -0.226 2.207 6.225 612 H TYR 73 H TYR 73 2.823 6.141 5.772 613 HA TYR 73 HA TYR 73 2.886 7.392 3.233 614 HB2 TYR 73 HB2 TYR 73 1.421 8.109 5.114 615 HB3 TYR 73 HB3 TYR 73 2.835 8.662 6.007 616 HD1 TYR 73 HD2 TYR 73 1.035 9.189 2.747 617 HD2 TYR 73 HD1 TYR 73 3.510 10.929 5.770 618 HE1 TYR 73 HE2 TYR 73 0.871 11.367 1.628 619 HE2 TYR 73 HE1 TYR 73 3.346 13.112 4.648 620 HH TYR 73 HH TYR 73 1.100 13.797 2.249 621 H TYR 74 H TYR 74 5.197 7.411 5.962 622 HA TYR 74 HA TYR 74 6.963 9.365 4.772 623 HB2 TYR 74 HB2 TYR 74 7.315 7.508 7.149 624 HB3 TYR 74 HB3 TYR 74 8.546 8.660 6.643 625 HD1 TYR 74 HD1 TYR 74 7.249 11.149 6.123 626 HD2 TYR 74 HD2 TYR 74 6.235 8.255 9.099 627 HE1 TYR 74 HE1 TYR 74 6.237 12.915 7.497 628 HE2 TYR 74 HE2 TYR 74 5.215 10.022 10.467 629 HH TYR 74 HH TYR 74 5.440 12.496 10.747 630 H TRP 75 H TRP 75 6.781 5.835 4.698 631 HA TRP 75 HA TRP 75 9.363 5.394 3.545 632 HB2 TRP 75 HB2 TRP 75 6.870 3.657 3.362 633 HB3 TRP 75 HB3 TRP 75 8.504 3.149 2.962 634 HD1 TRP 75 HD1 TRP 75 9.702 4.586 5.790 635 HE1 TRP 75 HE1 TRP 75 9.393 3.230 7.949 636 HE3 TRP 75 HE3 TRP 75 5.983 1.426 4.246 637 HZ2 TRP 75 HZ2 TRP 75 7.794 1.107 8.883 638 HZ3 TRP 75 HZ3 TRP 75 5.127 -0.243 5.835 639 HH2 TRP 75 HH2 TRP 75 6.011 -0.400 8.107 640 H ALA 76 H ALA 76 6.102 5.816 2.197 641 HA ALA 76 HA ALA 76 6.726 5.431 -0.547 642 HB1 ALA 76 HB1 ALA 76 4.456 5.237 0.381 643 HB2 ALA 76 HB2 ALA 76 4.504 6.359 -0.981 644 HB3 ALA 76 HB3 ALA 76 4.422 6.976 0.673 645 H THR 77 H THR 77 6.213 8.462 1.300 646 HA THR 77 HA THR 77 6.800 10.214 -0.900 647 HB THR 77 HB THR 77 6.770 12.049 0.786 648 HG1 THR 77 HG1 THR 77 5.934 10.549 2.910 649 HG21 THR 77 HG21 THR 77 4.425 11.796 1.525 650 HG22 THR 77 HG22 THR 77 4.471 10.080 1.116 651 HG23 THR 77 HG23 THR 77 4.617 11.297 -0.158 652 H LYS 78 H LYS 78 8.804 8.384 1.100 653 HA LYS 78 HA LYS 78 10.998 8.215 1.516 654 HB2 LYS 78 HB2 LYS 78 10.942 8.603 -1.082 655 HB3 LYS 78 HB3 LYS 78 11.606 10.185 -0.717 656 HG2 LYS 78 HG2 LYS 78 12.950 7.652 0.252 657 HG3 LYS 78 HG3 LYS 78 13.207 8.251 -1.387 658 HD2 LYS 78 HD2 LYS 78 14.109 10.369 -0.482 659 HD3 LYS 78 HD3 LYS 78 13.825 9.802 1.166 660 HE2 LYS 78 HE2 LYS 78 15.465 8.021 0.888 661 HE3 LYS 78 HE3 LYS 78 15.673 8.424 -0.818 662 HZ1 LYS 78 HZ1 LYS 78 16.372 10.175 1.473 663 HZ2 LYS 78 HZ2 LYS 78 16.548 10.581 -0.157 664 HZ3 LYS 78 HZ3 LYS 78 17.461 9.322 0.504 665 H ASN 79 H ASN 79 9.975 9.489 3.342 666 HA ASN 79 HA ASN 79 11.552 11.875 4.021 667 HB2 ASN 79 HB2 ASN 79 9.249 12.539 3.237 668 HB3 ASN 79 HB3 ASN 79 8.547 11.534 4.500 669 HD21 ASN 79 HD21 ASN 79 7.549 13.252 5.547 670 HD22 ASN 79 HD22 ASN 79 8.413 14.491 6.377 671 H PHE 80 H PHE 80 12.683 9.916 4.953 672 HA PHE 80 HA PHE 80 11.496 8.485 7.175 673 HB2 PHE 80 HB2 PHE 80 14.373 8.422 6.164 674 HB3 PHE 80 HB3 PHE 80 13.622 7.252 7.242 675 HD1 PHE 80 HD1 PHE 80 11.895 5.648 6.356 676 HD2 PHE 80 HD2 PHE 80 14.020 8.297 3.748 677 HE1 PHE 80 HE1 PHE 80 11.216 4.301 4.411 678 HE2 PHE 80 HE2 PHE 80 13.332 6.932 1.821 679 HZ PHE 80 HZ PHE 80 11.931 4.940 2.148 680 H LYS 81 H LYS 81 12.157 11.525 7.372 681 HA LYS 81 HA LYS 81 14.272 12.018 9.131 682 HB2 LYS 81 HB2 LYS 81 13.138 14.163 9.661 683 HB3 LYS 81 HB3 LYS 81 13.189 13.838 7.935 684 HG2 LYS 81 HG2 LYS 81 10.857 13.335 7.849 685 HG3 LYS 81 HG3 LYS 81 10.740 13.208 9.601 686 HD2 LYS 81 HD2 LYS 81 9.693 15.280 8.944 687 HD3 LYS 81 HD3 LYS 81 11.195 15.679 9.767 688 HE2 LYS 81 HE2 LYS 81 10.908 15.614 6.744 689 HE3 LYS 81 HE3 LYS 81 10.667 17.065 7.708 690 HZ1 LYS 81 HZ1 LYS 81 12.990 16.779 8.500 691 HZ2 LYS 81 HZ2 LYS 81 12.851 17.097 6.847 692 HZ3 LYS 81 HZ3 LYS 81 13.178 15.529 7.376 693 H THR 82 H THR 82 11.164 10.652 9.859 694 HA THR 82 HA THR 82 11.768 10.630 12.766 695 HB THR 82 HB THR 82 10.040 12.323 12.460 696 HG1 THR 82 HG1 THR 82 8.237 11.080 13.596 697 HG21 THR 82 HG21 THR 82 8.406 10.188 11.033 698 HG22 THR 82 HG22 THR 82 9.114 11.625 10.292 699 HG23 THR 82 HG23 THR 82 7.824 11.794 11.483 700 H SER 83 H SER 83 10.346 9.003 9.982 701 HA SER 83 HA SER 83 10.147 6.467 11.520 702 HB2 SER 83 HB2 SER 83 8.468 7.297 9.114 703 HB3 SER 83 HB3 SER 83 8.363 5.750 9.959 704 HG SER 83 HG SER 83 6.875 6.822 11.010 705 HA PRO 84 HA PRO 84 13.458 5.560 8.383 706 HB2 PRO 84 HB2 PRO 84 14.253 3.498 10.392 707 HB3 PRO 84 HB3 PRO 84 15.220 4.788 9.665 708 HG2 PRO 84 HG2 PRO 84 14.445 4.926 12.238 709 HG3 PRO 84 HG3 PRO 84 14.516 6.383 11.219 710 HD2 PRO 84 HD2 PRO 84 12.096 4.711 11.959 711 HD3 PRO 84 HD3 PRO 84 12.296 6.482 11.995 712 H LEU 85 H LEU 85 14.098 3.455 7.338 713 HA LEU 85 HA LEU 85 11.682 1.942 6.702 714 HB2 LEU 85 HB2 LEU 85 13.177 2.986 4.949 715 HB3 LEU 85 HB3 LEU 85 14.411 1.811 5.375 716 HG LEU 85 HG LEU 85 12.840 -0.026 4.719 717 HD11 LEU 85 HD11 LEU 85 10.808 0.512 3.424 718 HD12 LEU 85 HD12 LEU 85 11.045 2.229 3.751 719 HD13 LEU 85 HD13 LEU 85 10.698 1.114 5.077 720 HD21 LEU 85 HD21 LEU 85 13.384 1.990 2.511 721 HD22 LEU 85 HD22 LEU 85 13.078 0.263 2.301 722 HD23 LEU 85 HD23 LEU 85 14.537 0.800 3.128 723 HA PRO 86 HA PRO 86 13.203 -1.649 9.156 724 HB2 PRO 86 HB2 PRO 86 10.686 -2.955 8.234 725 HB3 PRO 86 HB3 PRO 86 11.225 -2.596 9.881 726 HG2 PRO 86 HG2 PRO 86 9.213 -1.218 8.754 727 HG3 PRO 86 HG3 PRO 86 10.385 -0.418 9.825 728 HD2 PRO 86 HD2 PRO 86 10.338 -0.478 6.791 729 HD3 PRO 86 HD3 PRO 86 10.505 0.923 7.880 730 H ASP 87 H ASP 87 13.220 -4.122 8.690 731 HA ASP 87 HA ASP 87 15.057 -4.425 6.546 732 HB2 ASP 87 HB2 ASP 87 13.850 -6.640 8.254 733 HB3 ASP 87 HB3 ASP 87 15.370 -6.696 7.372 734 H LYS 88 H LYS 88 11.819 -5.914 7.063 735 HA LYS 88 HA LYS 88 11.773 -7.366 4.618 736 HB2 LYS 88 HB2 LYS 88 9.362 -7.714 5.033 737 HB3 LYS 88 HB3 LYS 88 10.357 -8.079 6.434 738 HG2 LYS 88 HG2 LYS 88 9.646 -6.055 7.562 739 HG3 LYS 88 HG3 LYS 88 8.800 -5.479 6.118 740 HD2 LYS 88 HD2 LYS 88 7.168 -7.264 6.281 741 HD3 LYS 88 HD3 LYS 88 8.086 -8.070 7.553 742 HE2 LYS 88 HE2 LYS 88 6.106 -6.921 8.453 743 HE3 LYS 88 HE3 LYS 88 7.594 -6.230 9.097 744 HZ1 LYS 88 HZ1 LYS 88 6.004 -4.542 8.507 745 HZ2 LYS 88 HZ2 LYS 88 5.950 -5.092 6.911 746 HZ3 LYS 88 HZ3 LYS 88 7.376 -4.420 7.527 747 H TRP 89 H TRP 89 11.221 -4.004 5.150 748 HA TRP 89 HA TRP 89 9.956 -3.676 2.502 749 HB2 TRP 89 HB2 TRP 89 10.380 -1.623 4.703 750 HB3 TRP 89 HB3 TRP 89 9.544 -1.330 3.177 751 HD1 TRP 89 HD1 TRP 89 8.680 -1.916 6.614 752 HE1 TRP 89 HE1 TRP 89 6.335 -2.925 6.878 753 HE3 TRP 89 HE3 TRP 89 7.905 -3.513 1.798 754 HZ2 TRP 89 HZ2 TRP 89 4.446 -4.302 5.307 755 HZ3 TRP 89 HZ3 TRP 89 5.809 -4.682 1.266 756 HH2 TRP 89 HH2 TRP 89 4.110 -5.064 2.986 757 H ALA 90 H ALA 90 12.990 -3.373 4.121 758 HA ALA 90 HA ALA 90 14.351 -1.651 2.330 759 HB1 ALA 90 HB1 ALA 90 15.280 -2.290 4.526 760 HB2 ALA 90 HB2 ALA 90 16.414 -2.659 3.224 761 HB3 ALA 90 HB3 ALA 90 15.471 -3.954 3.968 762 H ASN 91 H ASN 91 14.480 -1.951 0.220 763 HA ASN 91 HA ASN 91 14.757 -2.747 -1.855 764 HB2 ASN 91 HB2 ASN 91 15.935 -5.223 -0.535 765 HB3 ASN 91 HB3 ASN 91 16.038 -4.846 -2.254 766 HD21 ASN 91 HD21 ASN 91 18.184 -5.190 -0.281 767 HD22 ASN 91 HD22 ASN 91 19.097 -3.725 -0.325 768 H SER 92 H SER 92 12.280 -3.379 -0.211 769 HA SER 92 HA SER 92 11.058 -5.614 -1.642 770 HB2 SER 92 HB2 SER 92 10.218 -5.041 0.607 771 HB3 SER 92 HB3 SER 92 9.782 -3.422 0.070 772 HG SER 92 HG SER 92 8.240 -5.501 0.052 773 H LYS 93 H LYS 93 10.019 -5.499 -3.619 774 HA LYS 93 HA LYS 93 10.306 -3.136 -5.193 775 HB2 LYS 93 HB2 LYS 93 10.306 -5.477 -6.170 776 HB3 LYS 93 HB3 LYS 93 8.558 -5.523 -5.933 777 HG2 LYS 93 HG2 LYS 93 8.305 -3.555 -7.435 778 HG3 LYS 93 HG3 LYS 93 10.053 -3.506 -7.657 779 HD2 LYS 93 HD2 LYS 93 9.162 -4.563 -9.603 780 HD3 LYS 93 HD3 LYS 93 9.894 -5.852 -8.643 781 HE2 LYS 93 HE2 LYS 93 7.750 -6.583 -9.544 782 HE3 LYS 93 HE3 LYS 93 7.634 -6.447 -7.789 783 HZ1 LYS 93 HZ1 LYS 93 6.731 -4.343 -9.674 784 HZ2 LYS 93 HZ2 LYS 93 6.474 -4.403 -7.995 785 HZ3 LYS 93 HZ3 LYS 93 5.725 -5.523 -9.010 786 H LEU 94 H LEU 94 7.515 -4.587 -3.508 787 HA LEU 94 HA LEU 94 5.377 -3.065 -4.409 788 HB2 LEU 94 HB2 LEU 94 5.111 -4.937 -2.834 789 HB3 LEU 94 HB3 LEU 94 5.961 -4.041 -1.587 790 HG LEU 94 HG LEU 94 4.032 -2.307 -1.742 791 HD11 LEU 94 HD11 LEU 94 1.869 -3.105 -2.539 792 HD12 LEU 94 HD12 LEU 94 2.619 -4.581 -3.154 793 HD13 LEU 94 HD13 LEU 94 3.045 -3.013 -3.852 794 HD21 LEU 94 HD21 LEU 94 4.313 -3.768 0.184 795 HD22 LEU 94 HD22 LEU 94 3.420 -5.055 -0.632 796 HD23 LEU 94 HD23 LEU 94 2.604 -3.552 -0.197 797 H LEU 95 H LEU 95 7.698 -2.285 -1.848 798 HA LEU 95 HA LEU 95 6.753 0.202 -1.014 799 HB2 LEU 95 HB2 LEU 95 8.529 -0.973 0.187 800 HB3 LEU 95 HB3 LEU 95 9.604 -0.822 -1.197 801 HG LEU 95 HG LEU 95 9.535 1.689 -0.911 802 HD11 LEU 95 HD11 LEU 95 8.097 1.066 1.680 803 HD12 LEU 95 HD12 LEU 95 7.419 1.896 0.275 804 HD13 LEU 95 HD13 LEU 95 8.730 2.639 1.186 805 HD21 LEU 95 HD21 LEU 95 10.597 0.129 1.455 806 HD22 LEU 95 HD22 LEU 95 11.066 1.768 0.995 807 HD23 LEU 95 HD23 LEU 95 11.428 0.419 -0.076 808 H LYS 96 H LYS 96 9.136 -0.523 -3.588 809 HA LYS 96 HA LYS 96 9.580 2.182 -4.370 810 HB2 LYS 96 HB2 LYS 96 10.212 -0.476 -5.679 811 HB3 LYS 96 HB3 LYS 96 10.532 1.040 -6.519 812 HG2 LYS 96 HG2 LYS 96 11.987 1.763 -4.640 813 HG3 LYS 96 HG3 LYS 96 11.703 0.213 -3.842 814 HD2 LYS 96 HD2 LYS 96 12.874 -0.995 -5.561 815 HD3 LYS 96 HD3 LYS 96 12.896 0.407 -6.633 816 HE2 LYS 96 HE2 LYS 96 15.112 0.034 -5.651 817 HE3 LYS 96 HE3 LYS 96 14.442 1.564 -5.087 818 HZ1 LYS 96 HZ1 LYS 96 13.800 0.443 -3.020 819 HZ2 LYS 96 HZ2 LYS 96 15.469 0.372 -3.286 820 HZ3 LYS 96 HZ3 LYS 96 14.509 -0.990 -3.575 821 H GLN 97 H GLN 97 7.243 -0.236 -5.464 822 HA GLN 97 HA GLN 97 6.088 1.136 -7.657 823 HB2 GLN 97 HB2 GLN 97 4.685 -0.663 -5.620 824 HB3 GLN 97 HB3 GLN 97 4.071 -0.251 -7.215 825 HG2 GLN 97 HG2 GLN 97 6.584 -1.865 -6.695 826 HG3 GLN 97 HG3 GLN 97 5.003 -2.560 -7.024 827 HE21 GLN 97 HE21 GLN 97 4.229 -2.557 -9.136 828 HE22 GLN 97 HE22 GLN 97 5.218 -2.140 -10.488 829 H LEU 98 H LEU 98 5.472 1.247 -4.184 830 HA LEU 98 HA LEU 98 3.277 3.083 -4.171 831 HB2 LEU 98 HB2 LEU 98 3.779 1.353 -2.418 832 HB3 LEU 98 HB3 LEU 98 5.185 2.284 -1.939 833 HG LEU 98 HG LEU 98 3.646 4.165 -1.266 834 HD11 LEU 98 HD11 LEU 98 1.734 3.676 -2.682 835 HD12 LEU 98 HD12 LEU 98 1.247 3.709 -0.989 836 HD13 LEU 98 HD13 LEU 98 1.443 2.162 -1.819 837 HD21 LEU 98 HD21 LEU 98 2.874 3.119 0.823 838 HD22 LEU 98 HD22 LEU 98 4.509 2.598 0.419 839 HD23 LEU 98 HD23 LEU 98 3.143 1.516 0.133 840 H GLN 99 H GLN 99 6.773 3.434 -3.801 841 HA GLN 99 HA GLN 99 6.883 6.187 -3.073 842 HB2 GLN 99 HB2 GLN 99 8.969 4.369 -4.353 843 HB3 GLN 99 HB3 GLN 99 9.312 6.017 -3.831 844 HG2 GLN 99 HG2 GLN 99 8.787 5.420 -1.513 845 HG3 GLN 99 HG3 GLN 99 8.370 3.781 -2.007 846 HE21 GLN 99 HE21 GLN 99 10.417 4.692 -0.107 847 HE22 GLN 99 HE22 GLN 99 11.913 4.047 -0.675 848 H GLU 100 H GLU 100 7.154 4.525 -6.217 849 HA GLU 100 HA GLU 100 7.437 6.846 -7.838 850 HB2 GLU 100 HB2 GLU 100 6.328 4.089 -8.525 851 HB3 GLU 100 HB3 GLU 100 6.662 5.346 -9.716 852 HG2 GLU 100 HG2 GLU 100 9.043 5.310 -9.086 853 HG3 GLU 100 HG3 GLU 100 8.720 4.040 -7.907 854 H PHE 101 H PHE 101 4.573 5.064 -6.688 855 HA PHE 101 HA PHE 101 2.591 6.541 -8.054 856 HB2 PHE 101 HB2 PHE 101 2.010 4.431 -6.926 857 HB3 PHE 101 HB3 PHE 101 2.364 5.142 -5.349 858 HD1 PHE 101 HD2 PHE 101 0.096 5.401 -8.297 859 HD2 PHE 101 HD1 PHE 101 0.685 6.440 -4.190 860 HE1 PHE 101 HE2 PHE 101 -2.156 6.357 -8.215 861 HE2 PHE 101 HE1 PHE 101 -1.571 7.409 -4.119 862 HZ PHE 101 HZ PHE 101 -2.988 7.381 -6.127 863 H SER 102 H SER 102 4.177 7.124 -4.932 864 HA SER 102 HA SER 102 2.631 9.268 -3.996 865 HB2 SER 102 HB2 SER 102 4.312 8.065 -2.618 866 HB3 SER 102 HB3 SER 102 5.608 8.829 -3.537 867 HG SER 102 HG SER 102 5.420 10.450 -2.232 868 H GLU 103 H GLU 103 5.159 9.241 -6.425 869 HA GLU 103 HA GLU 103 5.577 12.093 -6.600 870 HB2 GLU 103 HB2 GLU 103 6.238 10.023 -8.737 871 HB3 GLU 103 HB3 GLU 103 6.989 11.603 -8.505 872 HG2 GLU 103 HG2 GLU 103 7.895 10.787 -6.321 873 HG3 GLU 103 HG3 GLU 103 7.210 9.201 -6.670 874 H ASN 104 H ASN 104 3.087 10.051 -7.721 875 HA ASN 104 HA ASN 104 2.161 11.917 -9.840 876 HB2 ASN 104 HB2 ASN 104 1.369 9.020 -9.232 877 HB3 ASN 104 HB3 ASN 104 0.621 10.011 -10.489 878 HD21 ASN 104 HD21 ASN 104 3.576 8.442 -9.486 879 HD22 ASN 104 HD22 ASN 104 4.348 8.446 -11.025 880 H LYS 105 H LYS 105 1.794 11.826 -6.656 881 HA LYS 105 HA LYS 105 -1.116 12.094 -6.403 882 HB2 LYS 105 HB2 LYS 105 1.215 12.208 -4.454 883 HB3 LYS 105 HB3 LYS 105 -0.416 12.657 -3.959 884 HG2 LYS 105 HG2 LYS 105 -1.255 10.447 -4.454 885 HG3 LYS 105 HG3 LYS 105 0.287 9.967 -5.164 886 HD2 LYS 105 HD2 LYS 105 -0.100 9.064 -2.858 887 HD3 LYS 105 HD3 LYS 105 1.383 9.999 -3.026 888 HE2 LYS 105 HE2 LYS 105 0.203 10.476 -0.898 889 HE3 LYS 105 HE3 LYS 105 0.346 11.915 -1.906 890 HZ1 LYS 105 HZ1 LYS 105 -2.077 10.216 -1.841 891 HZ2 LYS 105 HZ2 LYS 105 -1.913 11.764 -2.510 892 HZ3 LYS 105 HZ3 LYS 105 -1.853 11.552 -0.835 893 H GLU 106 H GLU 106 0.192 13.965 -8.140 894 HA GLU 106 HA GLU 106 0.454 16.555 -6.822 895 HB2 GLU 106 HB2 GLU 106 0.661 15.824 -9.778 896 HB3 GLU 106 HB3 GLU 106 1.229 17.315 -9.027 897 HG2 GLU 106 HG2 GLU 106 2.980 16.136 -7.857 898 HG3 GLU 106 HG3 GLU 106 2.333 14.571 -8.350 899 H LYS 107 H LYS 107 -2.118 14.801 -8.202 900 HA LYS 107 HA LYS 107 -3.397 16.897 -9.671 901 HB2 LYS 107 HB2 LYS 107 -5.245 15.266 -10.018 902 HB3 LYS 107 HB3 LYS 107 -3.658 14.739 -10.560 903 HG2 LYS 107 HG2 LYS 107 -3.463 13.366 -8.458 904 HG3 LYS 107 HG3 LYS 107 -5.141 13.787 -8.084 905 HD2 LYS 107 HD2 LYS 107 -4.197 12.376 -10.604 906 HD3 LYS 107 HD3 LYS 107 -4.916 11.566 -9.210 907 HE2 LYS 107 HE2 LYS 107 -7.038 12.726 -9.584 908 HE3 LYS 107 HE3 LYS 107 -6.328 13.684 -10.885 909 HZ1 LYS 107 HZ1 LYS 107 -7.627 11.874 -11.751 910 HZ2 LYS 107 HZ2 LYS 107 -6.705 10.747 -10.894 911 HZ3 LYS 107 HZ3 LYS 107 -5.997 11.646 -12.137 912 H GLU 108 H GLU 108 -3.644 18.500 -8.200 913 HA GLU 108 HA GLU 108 -5.471 18.321 -5.940 914 HB2 GLU 108 HB2 GLU 108 -4.942 20.767 -5.695 915 HB3 GLU 108 HB3 GLU 108 -3.522 19.725 -5.670 916 HG2 GLU 108 HG2 GLU 108 -3.092 20.284 -8.064 917 HG3 GLU 108 HG3 GLU 108 -4.483 21.367 -8.039 918 H ILE 109 H ILE 109 -7.258 19.916 -5.730 919 HA ILE 109 HA ILE 109 -8.933 20.042 -8.144 920 HB ILE 109 HB ILE 109 -9.586 20.592 -5.215 921 HG12 ILE 109 HG12 ILE 109 -11.215 18.637 -5.549 922 HG13 ILE 109 HG13 ILE 109 -10.448 18.350 -7.102 923 HG21 ILE 109 HG21 ILE 109 -11.960 20.906 -5.900 924 HG22 ILE 109 HG22 ILE 109 -11.467 20.862 -7.593 925 HG23 ILE 109 HG23 ILE 109 -10.905 22.165 -6.544 926 HD11 ILE 109 HD11 ILE 109 -8.363 17.802 -5.984 927 HD12 ILE 109 HD12 ILE 109 -9.690 16.820 -5.366 928 HD13 ILE 109 HD13 ILE 109 -9.086 18.176 -4.416 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -8.319 6.733 28.461 2 H2 MET 1 H2 MET 1 -6.865 7.600 28.425 3 H3 MET 1 H3 MET 1 -8.279 8.343 28.972 4 HA MET 1 HA MET 1 -6.869 7.794 30.812 5 HB2 MET 1 HB2 MET 1 -9.420 6.153 30.587 6 HB3 MET 1 HB3 MET 1 -8.539 6.349 32.099 7 HG2 MET 1 HG2 MET 1 -10.434 7.889 31.979 8 HG3 MET 1 HG3 MET 1 -8.906 8.772 32.030 9 HE1 MET 1 HE1 MET 1 -10.011 11.057 31.140 10 HE2 MET 1 HE2 MET 1 -11.586 10.255 31.186 11 HE3 MET 1 HE3 MET 1 -11.078 11.122 29.737 12 H GLY 2 H GLY 2 -6.213 5.858 28.381 13 HA2 GLY 2 HA2 GLY 2 -4.092 4.636 28.739 14 HA3 GLY 2 HA3 GLY 2 -4.854 3.836 30.099 15 H HIS 3 H HIS 3 -4.020 1.937 28.941 16 HA HIS 3 HA HIS 3 -5.812 0.959 26.784 17 HB2 HIS 3 HB2 HIS 3 -3.859 -0.412 25.993 18 HB3 HIS 3 HB3 HIS 3 -3.593 1.319 25.860 19 HD1 HIS 3 HD1 HIS 3 -1.635 2.319 27.155 20 HD2 HIS 3 HD2 HIS 3 -2.256 -1.703 28.023 21 HE1 HIS 3 HE1 HIS 3 0.387 1.589 28.449 22 HE2 HIS 3 HE2 HIS 3 0.051 -0.870 28.850 23 H HIS 4 H HIS 4 -5.980 -1.464 26.695 24 HA HIS 4 HA HIS 4 -5.516 -2.969 29.143 25 HB2 HIS 4 HB2 HIS 4 -7.927 -3.589 29.445 26 HB3 HIS 4 HB3 HIS 4 -7.614 -1.885 29.743 27 HD1 HIS 4 HD1 HIS 4 -9.489 -4.178 27.489 28 HD2 HIS 4 HD2 HIS 4 -8.760 -0.105 27.854 29 HE1 HIS 4 HE1 HIS 4 -11.115 -3.065 25.939 30 HE2 HIS 4 HE2 HIS 4 -10.692 -0.600 26.218 31 H HIS 5 H HIS 5 -6.125 -5.255 28.927 32 HA HIS 5 HA HIS 5 -5.228 -6.366 26.462 33 HB2 HIS 5 HB2 HIS 5 -6.385 -7.699 28.943 34 HB3 HIS 5 HB3 HIS 5 -5.679 -8.581 27.591 35 HD1 HIS 5 HD1 HIS 5 -4.800 -7.053 30.770 36 HD2 HIS 5 HD2 HIS 5 -2.814 -7.950 27.224 37 HE1 HIS 5 HE1 HIS 5 -2.357 -7.055 31.349 38 HE2 HIS 5 HE2 HIS 5 -1.204 -7.811 29.245 39 H HIS 6 H HIS 6 -6.503 -6.284 24.679 40 HA HIS 6 HA HIS 6 -9.391 -6.710 24.746 41 HB2 HIS 6 HB2 HIS 6 -7.459 -6.192 22.446 42 HB3 HIS 6 HB3 HIS 6 -9.179 -6.463 22.208 43 HD1 HIS 6 HD1 HIS 6 -10.671 -4.487 22.393 44 HD2 HIS 6 HD2 HIS 6 -6.879 -3.723 23.893 45 HE1 HIS 6 HE1 HIS 6 -10.605 -2.019 22.799 46 HE2 HIS 6 HE2 HIS 6 -8.230 -1.556 23.477 47 H HIS 7 H HIS 7 -10.449 -8.303 23.330 48 HA HIS 7 HA HIS 7 -9.026 -10.905 23.135 49 HB2 HIS 7 HB2 HIS 7 -12.034 -10.349 23.298 50 HB3 HIS 7 HB3 HIS 7 -11.284 -11.941 23.219 51 HD1 HIS 7 HD1 HIS 7 -11.116 -8.886 25.496 52 HD2 HIS 7 HD2 HIS 7 -10.989 -13.033 25.696 53 HE1 HIS 7 HE1 HIS 7 -10.946 -9.429 27.936 54 HE2 HIS 7 HE2 HIS 7 -10.725 -11.926 28.024 55 H HIS 8 H HIS 8 -8.342 -11.276 21.077 56 HA HIS 8 HA HIS 8 -9.452 -9.977 18.748 57 HB2 HIS 8 HB2 HIS 8 -7.353 -12.180 19.000 58 HB3 HIS 8 HB3 HIS 8 -7.741 -11.337 17.506 59 HD1 HIS 8 HD1 HIS 8 -6.154 -10.727 20.891 60 HD2 HIS 8 HD2 HIS 8 -6.426 -8.919 17.162 61 HE1 HIS 8 HE1 HIS 8 -4.545 -8.805 20.962 62 HE2 HIS 8 HE2 HIS 8 -4.691 -7.752 18.685 63 H SER 9 H SER 9 -11.697 -10.803 18.976 64 HA SER 9 HA SER 9 -12.217 -13.648 18.625 65 HB2 SER 9 HB2 SER 9 -13.690 -12.354 20.114 66 HB3 SER 9 HB3 SER 9 -14.151 -11.297 18.783 67 HG SER 9 HG SER 9 -15.753 -12.792 18.940 68 H HIS 10 H HIS 10 -11.191 -13.937 16.573 69 HA HIS 10 HA HIS 10 -12.977 -13.491 14.283 70 HB2 HIS 10 HB2 HIS 10 -10.048 -12.639 14.310 71 HB3 HIS 10 HB3 HIS 10 -10.960 -12.882 12.827 72 HD1 HIS 10 HD1 HIS 10 -13.224 -11.330 12.690 73 HD2 HIS 10 HD2 HIS 10 -10.185 -10.045 15.224 74 HE1 HIS 10 HE1 HIS 10 -13.669 -8.895 13.084 75 HE2 HIS 10 HE2 HIS 10 -11.724 -8.104 14.460 76 H MET 11 H MET 11 -13.124 -15.242 13.039 77 HA MET 11 HA MET 11 -10.971 -17.270 12.927 78 HB2 MET 11 HB2 MET 11 -12.727 -18.102 14.487 79 HB3 MET 11 HB3 MET 11 -13.961 -17.843 13.260 80 HG2 MET 11 HG2 MET 11 -12.854 -19.548 11.830 81 HG3 MET 11 HG3 MET 11 -11.682 -19.836 13.119 82 HE1 MET 11 HE1 MET 11 -13.922 -21.414 15.936 83 HE2 MET 11 HE2 MET 11 -13.450 -19.723 15.777 84 HE3 MET 11 HE3 MET 11 -12.280 -21.001 15.445 85 H ILE 12 H ILE 12 -10.451 -17.733 10.826 86 HA ILE 12 HA ILE 12 -11.855 -16.454 8.659 87 HB ILE 12 HB ILE 12 -9.441 -18.329 8.599 88 HG12 ILE 12 HG12 ILE 12 -8.247 -16.218 7.787 89 HG13 ILE 12 HG13 ILE 12 -9.716 -15.314 8.122 90 HG21 ILE 12 HG21 ILE 12 -10.771 -16.951 6.224 91 HG22 ILE 12 HG22 ILE 12 -10.661 -18.690 6.508 92 HG23 ILE 12 HG23 ILE 12 -9.200 -17.763 6.174 93 HD11 ILE 12 HD11 ILE 12 -8.010 -16.754 10.153 94 HD12 ILE 12 HD12 ILE 12 -9.476 -15.832 10.501 95 HD13 ILE 12 HD13 ILE 12 -8.056 -15.017 9.851 96 H LYS 13 H LYS 13 -13.864 -17.268 8.595 97 HA LYS 13 HA LYS 13 -14.331 -20.095 7.853 98 HB2 LYS 13 HB2 LYS 13 -16.207 -17.928 8.928 99 HB3 LYS 13 HB3 LYS 13 -16.724 -19.553 8.478 100 HG2 LYS 13 HG2 LYS 13 -15.353 -20.532 10.244 101 HG3 LYS 13 HG3 LYS 13 -14.667 -18.953 10.638 102 HD2 LYS 13 HD2 LYS 13 -17.617 -19.676 10.924 103 HD3 LYS 13 HD3 LYS 13 -16.440 -19.729 12.242 104 HE2 LYS 13 HE2 LYS 13 -16.070 -17.302 12.021 105 HE3 LYS 13 HE3 LYS 13 -17.193 -17.242 10.664 106 HZ1 LYS 13 HZ1 LYS 13 -17.882 -17.990 13.446 107 HZ2 LYS 13 HZ2 LYS 13 -18.960 -17.942 12.147 108 HZ3 LYS 13 HZ3 LYS 13 -18.233 -16.519 12.696 109 H ARG 14 H ARG 14 -13.302 -17.859 6.105 110 HA ARG 14 HA ARG 14 -15.411 -17.387 4.150 111 HB2 ARG 14 HB2 ARG 14 -12.460 -16.627 4.054 112 HB3 ARG 14 HB3 ARG 14 -13.688 -16.103 2.907 113 HG2 ARG 14 HG2 ARG 14 -13.589 -15.379 5.860 114 HG3 ARG 14 HG3 ARG 14 -13.112 -14.334 4.523 115 HD2 ARG 14 HD2 ARG 14 -15.292 -13.613 5.188 116 HD3 ARG 14 HD3 ARG 14 -15.520 -14.504 3.680 117 HE ARG 14 HE ARG 14 -15.884 -16.020 6.145 118 HH11 ARG 14 HH11 ARG 14 -17.531 -14.207 3.696 119 HH12 ARG 14 HH12 ARG 14 -19.028 -15.016 3.982 120 HH21 ARG 14 HH21 ARG 14 -17.817 -17.017 6.468 121 HH22 ARG 14 HH22 ARG 14 -19.192 -16.559 5.526 122 H THR 15 H THR 15 -15.738 -19.723 3.855 123 HA THR 15 HA THR 15 -14.003 -21.445 2.445 124 HB THR 15 HB THR 15 -17.058 -21.303 2.299 125 HG1 THR 15 HG1 THR 15 -15.694 -23.223 3.831 126 HG21 THR 15 HG21 THR 15 -15.215 -23.631 1.617 127 HG22 THR 15 HG22 THR 15 -16.156 -22.689 0.456 128 HG23 THR 15 HG23 THR 15 -16.979 -23.687 1.655 129 H ASN 16 H ASN 16 -16.243 -18.944 1.340 130 HA ASN 16 HA ASN 16 -15.294 -19.150 -1.445 131 HB2 ASN 16 HB2 ASN 16 -17.754 -19.107 -1.123 132 HB3 ASN 16 HB3 ASN 16 -17.621 -17.575 -0.267 133 HD21 ASN 16 HD21 ASN 16 -17.169 -19.132 -3.386 134 HD22 ASN 16 HD22 ASN 16 -17.322 -17.698 -4.328 135 H GLU 17 H GLU 17 -13.350 -18.064 -1.557 136 HA GLU 17 HA GLU 17 -13.520 -15.162 -1.494 137 HB2 GLU 17 HB2 GLU 17 -12.632 -15.767 0.800 138 HB3 GLU 17 HB3 GLU 17 -11.234 -16.512 0.030 139 HG2 GLU 17 HG2 GLU 17 -10.596 -14.325 -0.927 140 HG3 GLU 17 HG3 GLU 17 -12.005 -13.580 -0.179 141 HA PRO 18 HA PRO 18 -11.252 -16.698 -5.337 142 HB2 PRO 18 HB2 PRO 18 -13.033 -14.530 -6.443 143 HB3 PRO 18 HB3 PRO 18 -12.658 -16.128 -7.105 144 HG2 PRO 18 HG2 PRO 18 -15.036 -15.673 -5.986 145 HG3 PRO 18 HG3 PRO 18 -14.197 -17.218 -5.703 146 HD2 PRO 18 HD2 PRO 18 -14.381 -14.801 -3.895 147 HD3 PRO 18 HD3 PRO 18 -14.567 -16.524 -3.490 148 H LEU 19 H LEU 19 -9.945 -15.330 -6.817 149 HA LEU 19 HA LEU 19 -8.384 -13.382 -5.453 150 HB2 LEU 19 HB2 LEU 19 -8.187 -14.920 -7.890 151 HB3 LEU 19 HB3 LEU 19 -7.888 -13.252 -8.316 152 HG LEU 19 HG LEU 19 -5.805 -14.473 -7.844 153 HD11 LEU 19 HD11 LEU 19 -5.835 -12.060 -7.457 154 HD12 LEU 19 HD12 LEU 19 -4.759 -12.866 -6.320 155 HD13 LEU 19 HD13 LEU 19 -6.349 -12.311 -5.785 156 HD21 LEU 19 HD21 LEU 19 -6.834 -14.771 -5.001 157 HD22 LEU 19 HD22 LEU 19 -5.239 -15.245 -5.596 158 HD23 LEU 19 HD23 LEU 19 -6.675 -16.073 -6.187 159 H ASP 20 H ASP 20 -10.967 -13.099 -7.848 160 HA ASP 20 HA ASP 20 -10.857 -10.310 -8.319 161 HB2 ASP 20 HB2 ASP 20 -12.199 -11.863 -9.705 162 HB3 ASP 20 HB3 ASP 20 -13.285 -12.160 -8.346 163 H LYS 21 H LYS 21 -12.694 -12.168 -5.862 164 HA LYS 21 HA LYS 21 -13.839 -9.939 -4.513 165 HB2 LYS 21 HB2 LYS 21 -13.363 -12.791 -3.637 166 HB3 LYS 21 HB3 LYS 21 -13.994 -11.588 -2.510 167 HG2 LYS 21 HG2 LYS 21 -15.839 -11.138 -4.204 168 HG3 LYS 21 HG3 LYS 21 -15.275 -12.574 -5.072 169 HD2 LYS 21 HD2 LYS 21 -15.727 -13.958 -3.075 170 HD3 LYS 21 HD3 LYS 21 -16.238 -12.522 -2.179 171 HE2 LYS 21 HE2 LYS 21 -17.581 -13.528 -4.704 172 HE3 LYS 21 HE3 LYS 21 -18.137 -13.890 -3.070 173 HZ1 LYS 21 HZ1 LYS 21 -18.456 -11.517 -2.706 174 HZ2 LYS 21 HZ2 LYS 21 -19.363 -12.057 -4.026 175 HZ3 LYS 21 HZ3 LYS 21 -17.941 -11.189 -4.281 176 H LYS 22 H LYS 22 -10.766 -11.671 -4.061 177 HA LYS 22 HA LYS 22 -9.938 -10.458 -1.637 178 HB2 LYS 22 HB2 LYS 22 -8.947 -12.553 -2.552 179 HB3 LYS 22 HB3 LYS 22 -8.202 -11.625 -3.851 180 HG2 LYS 22 HG2 LYS 22 -6.832 -10.393 -2.195 181 HG3 LYS 22 HG3 LYS 22 -7.598 -11.306 -0.892 182 HD2 LYS 22 HD2 LYS 22 -6.718 -13.417 -2.070 183 HD3 LYS 22 HD3 LYS 22 -5.747 -12.320 -3.055 184 HE2 LYS 22 HE2 LYS 22 -4.481 -11.598 -1.162 185 HE3 LYS 22 HE3 LYS 22 -5.618 -12.335 -0.031 186 HZ1 LYS 22 HZ1 LYS 22 -3.592 -13.635 -0.275 187 HZ2 LYS 22 HZ2 LYS 22 -3.899 -13.835 -1.928 188 HZ3 LYS 22 HZ3 LYS 22 -4.949 -14.501 -0.788 189 H ARG 23 H ARG 23 -9.278 -9.611 -5.042 190 HA ARG 23 HA ARG 23 -7.684 -7.336 -4.741 191 HB2 ARG 23 HB2 ARG 23 -8.130 -8.377 -6.921 192 HB3 ARG 23 HB3 ARG 23 -9.826 -7.919 -6.829 193 HG2 ARG 23 HG2 ARG 23 -9.223 -5.542 -7.001 194 HG3 ARG 23 HG3 ARG 23 -7.507 -5.957 -6.999 195 HD2 ARG 23 HD2 ARG 23 -8.257 -5.475 -9.271 196 HD3 ARG 23 HD3 ARG 23 -7.808 -7.176 -9.136 197 HE ARG 23 HE ARG 23 -10.524 -7.108 -8.676 198 HH11 ARG 23 HH11 ARG 23 -8.494 -6.162 -11.326 199 HH12 ARG 23 HH12 ARG 23 -9.727 -6.441 -12.498 200 HH21 ARG 23 HH21 ARG 23 -12.067 -7.454 -10.193 201 HH22 ARG 23 HH22 ARG 23 -11.724 -7.169 -11.863 202 H ALA 24 H ALA 24 -11.249 -7.526 -4.865 203 HA ALA 24 HA ALA 24 -11.814 -4.791 -4.399 204 HB1 ALA 24 HB1 ALA 24 -13.508 -7.217 -3.732 205 HB2 ALA 24 HB2 ALA 24 -13.457 -6.389 -5.290 206 HB3 ALA 24 HB3 ALA 24 -14.089 -5.554 -3.869 207 H ARG 25 H ARG 25 -11.416 -7.506 -2.136 208 HA ARG 25 HA ARG 25 -12.032 -6.210 0.291 209 HB2 ARG 25 HB2 ARG 25 -10.375 -8.670 -0.361 210 HB3 ARG 25 HB3 ARG 25 -10.596 -8.133 1.303 211 HG2 ARG 25 HG2 ARG 25 -12.924 -8.579 1.265 212 HG3 ARG 25 HG3 ARG 25 -12.967 -8.675 -0.495 213 HD2 ARG 25 HD2 ARG 25 -13.182 -10.899 0.596 214 HD3 ARG 25 HD3 ARG 25 -11.789 -10.793 -0.474 215 HE ARG 25 HE ARG 25 -10.391 -11.102 1.318 216 HH11 ARG 25 HH11 ARG 25 -13.545 -10.429 2.627 217 HH12 ARG 25 HH12 ARG 25 -13.113 -11.023 4.190 218 HH21 ARG 25 HH21 ARG 25 -9.899 -11.857 3.307 219 HH22 ARG 25 HH22 ARG 25 -11.076 -11.823 4.568 220 H LEU 26 H LEU 26 -8.973 -6.431 -1.515 221 HA LEU 26 HA LEU 26 -7.352 -5.311 0.578 222 HB2 LEU 26 HB2 LEU 26 -6.840 -5.780 -2.368 223 HB3 LEU 26 HB3 LEU 26 -5.655 -5.008 -1.328 224 HG LEU 26 HG LEU 26 -6.714 -7.860 -0.939 225 HD11 LEU 26 HD11 LEU 26 -5.297 -7.669 -2.920 226 HD12 LEU 26 HD12 LEU 26 -4.494 -8.578 -1.642 227 HD13 LEU 26 HD13 LEU 26 -4.023 -6.906 -1.963 228 HD21 LEU 26 HD21 LEU 26 -4.575 -6.270 0.558 229 HD22 LEU 26 HD22 LEU 26 -4.911 -7.996 0.778 230 HD23 LEU 26 HD23 LEU 26 -6.136 -6.803 1.199 231 H ILE 27 H ILE 27 -8.801 -3.920 -2.419 232 HA ILE 27 HA ILE 27 -7.945 -1.243 -2.069 233 HB ILE 27 HB ILE 27 -10.567 -2.176 -3.336 234 HG12 ILE 27 HG12 ILE 27 -7.889 -1.634 -4.693 235 HG13 ILE 27 HG13 ILE 27 -8.537 -3.233 -4.364 236 HG21 ILE 27 HG21 ILE 27 -10.528 -0.039 -4.597 237 HG22 ILE 27 HG22 ILE 27 -9.080 0.456 -3.720 238 HG23 ILE 27 HG23 ILE 27 -10.605 0.248 -2.857 239 HD11 ILE 27 HD11 ILE 27 -9.727 -1.185 -6.237 240 HD12 ILE 27 HD12 ILE 27 -10.396 -2.786 -5.906 241 HD13 ILE 27 HD13 ILE 27 -8.824 -2.631 -6.688 242 H TYR 28 H TYR 28 -10.730 -2.990 -0.770 243 HA TYR 28 HA TYR 28 -12.030 -0.957 0.676 244 HB2 TYR 28 HB2 TYR 28 -13.025 -3.150 0.229 245 HB3 TYR 28 HB3 TYR 28 -11.795 -3.946 1.197 246 HD1 TYR 28 HD2 TYR 28 -14.569 -1.415 1.503 247 HD2 TYR 28 HD1 TYR 28 -12.291 -4.468 3.454 248 HE1 TYR 28 HE2 TYR 28 -16.068 -1.297 3.450 249 HE2 TYR 28 HE1 TYR 28 -13.787 -4.343 5.393 250 HH TYR 28 HH TYR 28 -16.775 -2.725 5.336 251 H GLN 29 H GLN 29 -9.475 -3.242 1.768 252 HA GLN 29 HA GLN 29 -9.161 -2.173 4.409 253 HB2 GLN 29 HB2 GLN 29 -7.308 -3.903 2.733 254 HB3 GLN 29 HB3 GLN 29 -7.049 -3.545 4.440 255 HG2 GLN 29 HG2 GLN 29 -9.048 -4.757 5.060 256 HG3 GLN 29 HG3 GLN 29 -9.503 -4.976 3.373 257 HE21 GLN 29 HE21 GLN 29 -8.289 -6.460 2.093 258 HE22 GLN 29 HE22 GLN 29 -7.302 -7.676 2.813 259 H SER 30 H SER 30 -7.904 -1.184 1.331 260 HA SER 30 HA SER 30 -5.751 0.499 2.288 261 HB2 SER 30 HB2 SER 30 -7.262 0.603 -0.360 262 HB3 SER 30 HB3 SER 30 -5.726 1.405 -0.010 263 HG SER 30 HG SER 30 -5.929 -1.360 0.386 264 H ARG 31 H ARG 31 -9.164 0.873 1.548 265 HA ARG 31 HA ARG 31 -9.292 3.699 2.193 266 HB2 ARG 31 HB2 ARG 31 -11.428 1.612 1.585 267 HB3 ARG 31 HB3 ARG 31 -11.793 3.315 1.904 268 HG2 ARG 31 HG2 ARG 31 -10.386 3.965 -0.028 269 HG3 ARG 31 HG3 ARG 31 -10.039 2.267 -0.349 270 HD2 ARG 31 HD2 ARG 31 -12.335 1.846 -0.948 271 HD3 ARG 31 HD3 ARG 31 -12.833 3.452 -0.401 272 HE ARG 31 HE ARG 31 -11.165 4.225 -2.238 273 HH11 ARG 31 HH11 ARG 31 -13.237 1.465 -2.525 274 HH12 ARG 31 HH12 ARG 31 -13.386 1.632 -4.237 275 HH21 ARG 31 HH21 ARG 31 -11.362 4.410 -4.421 276 HH22 ARG 31 HH22 ARG 31 -12.317 3.270 -5.301 277 H LYS 32 H LYS 32 -9.457 0.722 4.002 278 HA LYS 32 HA LYS 32 -10.464 2.038 6.421 279 HB2 LYS 32 HB2 LYS 32 -9.572 -0.751 5.719 280 HB3 LYS 32 HB3 LYS 32 -9.353 -0.261 7.385 281 HG2 LYS 32 HG2 LYS 32 -11.402 -1.459 7.242 282 HG3 LYS 32 HG3 LYS 32 -11.794 0.229 7.542 283 HD2 LYS 32 HD2 LYS 32 -11.824 -0.820 4.707 284 HD3 LYS 32 HD3 LYS 32 -13.162 -1.210 5.780 285 HE2 LYS 32 HE2 LYS 32 -12.266 1.580 4.967 286 HE3 LYS 32 HE3 LYS 32 -13.724 0.742 4.433 287 HZ1 LYS 32 HZ1 LYS 32 -14.293 2.281 6.140 288 HZ2 LYS 32 HZ2 LYS 32 -13.108 1.681 7.187 289 HZ3 LYS 32 HZ3 LYS 32 -14.447 0.728 6.790 290 H ARG 33 H ARG 33 -9.182 3.483 7.349 291 HA ARG 33 HA ARG 33 -6.337 3.003 7.900 292 HB2 ARG 33 HB2 ARG 33 -7.369 5.455 6.386 293 HB3 ARG 33 HB3 ARG 33 -5.778 5.363 7.122 294 HG2 ARG 33 HG2 ARG 33 -6.707 3.523 4.895 295 HG3 ARG 33 HG3 ARG 33 -5.867 5.041 4.618 296 HD2 ARG 33 HD2 ARG 33 -4.130 3.492 4.481 297 HD3 ARG 33 HD3 ARG 33 -4.011 4.021 6.161 298 HE ARG 33 HE ARG 33 -5.529 1.593 5.504 299 HH11 ARG 33 HH11 ARG 33 -2.790 2.973 7.108 300 HH12 ARG 33 HH12 ARG 33 -2.381 1.483 7.880 301 HH21 ARG 33 HH21 ARG 33 -5.024 -0.242 6.532 302 HH22 ARG 33 HH22 ARG 33 -3.631 -0.320 7.553 303 H GLY 34 H GLY 34 -5.521 5.038 9.232 304 HA2 GLY 34 HA2 GLY 34 -7.672 6.109 10.990 305 HA3 GLY 34 HA3 GLY 34 -6.004 5.861 11.484 306 H ILE 35 H ILE 35 -5.300 6.972 8.625 307 HA ILE 35 HA ILE 35 -5.419 9.865 9.317 308 HB ILE 35 HB ILE 35 -2.948 8.303 8.398 309 HG12 ILE 35 HG12 ILE 35 -3.542 9.664 11.058 310 HG13 ILE 35 HG13 ILE 35 -3.579 7.929 10.777 311 HG21 ILE 35 HG21 ILE 35 -1.681 10.427 8.727 312 HG22 ILE 35 HG22 ILE 35 -3.203 11.279 9.005 313 HG23 ILE 35 HG23 ILE 35 -2.874 10.557 7.427 314 HD11 ILE 35 HD11 ILE 35 -1.174 9.720 10.656 315 HD12 ILE 35 HD12 ILE 35 -1.174 7.992 10.299 316 HD13 ILE 35 HD13 ILE 35 -1.577 8.560 11.919 317 H LEU 36 H LEU 36 -5.844 11.217 7.641 318 HA LEU 36 HA LEU 36 -6.802 10.270 5.158 319 HB2 LEU 36 HB2 LEU 36 -6.254 13.042 6.231 320 HB3 LEU 36 HB3 LEU 36 -6.727 12.831 4.561 321 HG LEU 36 HG LEU 36 -8.665 13.447 5.862 322 HD11 LEU 36 HD11 LEU 36 -10.212 11.657 5.284 323 HD12 LEU 36 HD12 LEU 36 -8.868 10.533 5.062 324 HD13 LEU 36 HD13 LEU 36 -9.041 11.929 3.995 325 HD21 LEU 36 HD21 LEU 36 -8.195 10.999 7.600 326 HD22 LEU 36 HD22 LEU 36 -9.566 12.111 7.698 327 HD23 LEU 36 HD23 LEU 36 -7.945 12.681 8.079 328 H GLU 37 H GLU 37 -3.649 11.629 6.046 329 HA GLU 37 HA GLU 37 -2.590 12.046 3.463 330 HB2 GLU 37 HB2 GLU 37 -1.095 11.183 5.975 331 HB3 GLU 37 HB3 GLU 37 -0.354 11.864 4.526 332 HG2 GLU 37 HG2 GLU 37 -2.300 13.290 6.375 333 HG3 GLU 37 HG3 GLU 37 -0.551 13.516 6.341 334 H THR 38 H THR 38 -2.468 9.148 5.553 335 HA THR 38 HA THR 38 -1.179 7.455 3.612 336 HB THR 38 HB THR 38 -2.831 6.534 5.998 337 HG1 THR 38 HG1 THR 38 -0.066 6.999 6.189 338 HG21 THR 38 HG21 THR 38 -2.038 4.742 4.460 339 HG22 THR 38 HG22 THR 38 -1.229 4.648 6.028 340 HG23 THR 38 HG23 THR 38 -0.380 5.330 4.640 341 H ASP 39 H ASP 39 -4.506 8.235 4.387 342 HA ASP 39 HA ASP 39 -5.844 6.035 3.212 343 HB2 ASP 39 HB2 ASP 39 -6.836 7.538 4.914 344 HB3 ASP 39 HB3 ASP 39 -6.832 8.868 3.755 345 H LEU 40 H LEU 40 -5.413 9.372 1.973 346 HA LEU 40 HA LEU 40 -6.390 9.079 -0.632 347 HB2 LEU 40 HB2 LEU 40 -4.110 10.848 0.343 348 HB3 LEU 40 HB3 LEU 40 -4.966 11.065 -1.177 349 HG LEU 40 HG LEU 40 -6.217 11.353 1.592 350 HD11 LEU 40 HD11 LEU 40 -5.425 13.531 -0.366 351 HD12 LEU 40 HD12 LEU 40 -4.615 13.154 1.158 352 HD13 LEU 40 HD13 LEU 40 -6.270 13.759 1.171 353 HD21 LEU 40 HD21 LEU 40 -7.860 10.628 -0.071 354 HD22 LEU 40 HD22 LEU 40 -7.403 11.960 -1.135 355 HD23 LEU 40 HD23 LEU 40 -8.162 12.292 0.425 356 H LEU 41 H LEU 41 -3.159 8.451 0.662 357 HA LEU 41 HA LEU 41 -1.756 7.962 -1.746 358 HB2 LEU 41 HB2 LEU 41 -0.656 8.498 0.379 359 HB3 LEU 41 HB3 LEU 41 -1.223 6.994 1.080 360 HG LEU 41 HG LEU 41 0.221 5.714 -0.498 361 HD11 LEU 41 HD11 LEU 41 0.321 7.254 -2.379 362 HD12 LEU 41 HD12 LEU 41 1.946 6.856 -1.831 363 HD13 LEU 41 HD13 LEU 41 1.237 8.420 -1.420 364 HD21 LEU 41 HD21 LEU 41 1.726 7.789 1.123 365 HD22 LEU 41 HD22 LEU 41 2.365 6.238 0.565 366 HD23 LEU 41 HD23 LEU 41 1.052 6.275 1.738 367 H LEU 42 H LEU 42 -3.024 5.550 0.616 368 HA LEU 42 HA LEU 42 -2.256 3.303 -1.008 369 HB2 LEU 42 HB2 LEU 42 -3.889 3.489 1.538 370 HB3 LEU 42 HB3 LEU 42 -3.506 1.959 0.756 371 HG LEU 42 HG LEU 42 -1.482 3.917 1.929 372 HD11 LEU 42 HD11 LEU 42 -1.019 2.152 3.568 373 HD12 LEU 42 HD12 LEU 42 -2.307 1.156 2.882 374 HD13 LEU 42 HD13 LEU 42 -2.692 2.696 3.656 375 HD21 LEU 42 HD21 LEU 42 0.228 2.197 1.405 376 HD22 LEU 42 HD22 LEU 42 -0.524 2.850 -0.046 377 HD23 LEU 42 HD23 LEU 42 -0.993 1.253 0.542 378 H SER 43 H SER 43 -5.329 4.990 -0.461 379 HA SER 43 HA SER 43 -7.043 3.057 -1.668 380 HB2 SER 43 HB2 SER 43 -7.400 6.057 -1.341 381 HB3 SER 43 HB3 SER 43 -8.675 4.972 -1.894 382 HG SER 43 HG SER 43 -7.377 4.986 0.626 383 H GLY 44 H GLY 44 -5.391 5.919 -3.035 384 HA2 GLY 44 HA2 GLY 44 -6.248 5.591 -5.744 385 HA3 GLY 44 HA3 GLY 44 -4.867 6.526 -5.194 386 H PHE 45 H PHE 45 -3.341 4.518 -3.980 387 HA PHE 45 HA PHE 45 -1.921 3.263 -6.069 388 HB2 PHE 45 HB2 PHE 45 -1.014 3.775 -3.778 389 HB3 PHE 45 HB3 PHE 45 -1.993 2.479 -3.113 390 HD1 PHE 45 HD2 PHE 45 -1.406 0.086 -3.625 391 HD2 PHE 45 HD1 PHE 45 1.078 3.303 -4.937 392 HE1 PHE 45 HE2 PHE 45 0.436 -1.495 -4.026 393 HE2 PHE 45 HE1 PHE 45 2.902 1.712 -5.338 394 HZ PHE 45 HZ PHE 45 2.593 -0.680 -4.885 395 H ALA 46 H ALA 46 -4.490 2.084 -3.961 396 HA ALA 46 HA ALA 46 -4.399 -0.653 -4.716 397 HB1 ALA 46 HB1 ALA 46 -6.664 0.905 -3.453 398 HB2 ALA 46 HB2 ALA 46 -5.350 0.106 -2.586 399 HB3 ALA 46 HB3 ALA 46 -6.510 -0.855 -3.506 400 H ALA 47 H ALA 47 -6.319 2.104 -5.813 401 HA ALA 47 HA ALA 47 -8.062 0.770 -7.595 402 HB1 ALA 47 HB1 ALA 47 -7.030 3.627 -7.693 403 HB2 ALA 47 HB2 ALA 47 -8.441 3.061 -6.796 404 HB3 ALA 47 HB3 ALA 47 -8.445 3.011 -8.558 405 H LYS 48 H LYS 48 -4.795 2.068 -8.046 406 HA LYS 48 HA LYS 48 -4.783 1.672 -10.941 407 HB2 LYS 48 HB2 LYS 48 -3.718 3.660 -10.053 408 HB3 LYS 48 HB3 LYS 48 -2.721 2.711 -8.957 409 HG2 LYS 48 HG2 LYS 48 -1.471 1.784 -10.861 410 HG3 LYS 48 HG3 LYS 48 -2.493 2.677 -11.991 411 HD2 LYS 48 HD2 LYS 48 -0.700 3.955 -9.880 412 HD3 LYS 48 HD3 LYS 48 -0.254 3.741 -11.576 413 HE2 LYS 48 HE2 LYS 48 -2.592 5.402 -10.566 414 HE3 LYS 48 HE3 LYS 48 -1.042 6.036 -11.122 415 HZ1 LYS 48 HZ1 LYS 48 -1.486 5.097 -13.306 416 HZ2 LYS 48 HZ2 LYS 48 -2.711 6.167 -12.851 417 HZ3 LYS 48 HZ3 LYS 48 -2.977 4.502 -12.776 418 H TYR 49 H TYR 49 -2.901 0.357 -8.185 419 HA TYR 49 HA TYR 49 -1.235 -1.221 -9.911 420 HB2 TYR 49 HB2 TYR 49 -1.278 -0.707 -6.940 421 HB3 TYR 49 HB3 TYR 49 -0.253 -1.976 -7.605 422 HD1 TYR 49 HD1 TYR 49 -0.910 1.706 -7.741 423 HD2 TYR 49 HD2 TYR 49 1.810 -1.459 -8.671 424 HE1 TYR 49 HE1 TYR 49 0.838 3.355 -8.288 425 HE2 TYR 49 HE2 TYR 49 3.541 0.195 -9.206 426 HH TYR 49 HH TYR 49 3.481 3.310 -8.315 427 H LEU 50 H LEU 50 -3.957 -2.020 -7.765 428 HA LEU 50 HA LEU 50 -3.462 -4.831 -7.723 429 HB2 LEU 50 HB2 LEU 50 -5.868 -3.156 -7.084 430 HB3 LEU 50 HB3 LEU 50 -6.088 -4.887 -7.299 431 HG LEU 50 HG LEU 50 -4.291 -5.251 -5.552 432 HD11 LEU 50 HD11 LEU 50 -3.744 -3.488 -3.996 433 HD12 LEU 50 HD12 LEU 50 -4.655 -2.328 -4.960 434 HD13 LEU 50 HD13 LEU 50 -3.200 -3.076 -5.623 435 HD21 LEU 50 HD21 LEU 50 -6.758 -3.809 -4.604 436 HD22 LEU 50 HD22 LEU 50 -5.742 -4.900 -3.662 437 HD23 LEU 50 HD23 LEU 50 -6.653 -5.518 -5.033 438 H LYS 51 H LYS 51 -4.732 -2.814 -10.208 439 HA LYS 51 HA LYS 51 -5.959 -4.858 -11.792 440 HB2 LYS 51 HB2 LYS 51 -4.896 -2.102 -12.512 441 HB3 LYS 51 HB3 LYS 51 -5.743 -3.150 -13.655 442 HG2 LYS 51 HG2 LYS 51 -7.723 -3.145 -12.130 443 HG3 LYS 51 HG3 LYS 51 -6.875 -2.008 -11.074 444 HD2 LYS 51 HD2 LYS 51 -6.866 -0.314 -12.826 445 HD3 LYS 51 HD3 LYS 51 -7.537 -1.455 -13.998 446 HE2 LYS 51 HE2 LYS 51 -9.306 0.019 -13.211 447 HE3 LYS 51 HE3 LYS 51 -9.607 -1.608 -12.605 448 HZ1 LYS 51 HZ1 LYS 51 -8.664 -0.924 -10.481 449 HZ2 LYS 51 HZ2 LYS 51 -10.002 0.011 -10.905 450 HZ3 LYS 51 HZ3 LYS 51 -8.444 0.646 -11.066 451 H LYS 52 H LYS 52 -2.610 -3.551 -11.640 452 HA LYS 52 HA LYS 52 -1.715 -5.346 -13.766 453 HB2 LYS 52 HB2 LYS 52 0.457 -4.236 -13.571 454 HB3 LYS 52 HB3 LYS 52 -0.855 -3.084 -13.788 455 HG2 LYS 52 HG2 LYS 52 -0.796 -2.625 -11.330 456 HG3 LYS 52 HG3 LYS 52 0.610 -3.687 -11.193 457 HD2 LYS 52 HD2 LYS 52 0.487 -1.221 -12.969 458 HD3 LYS 52 HD3 LYS 52 1.147 -1.218 -11.328 459 HE2 LYS 52 HE2 LYS 52 2.206 -2.864 -13.660 460 HE3 LYS 52 HE3 LYS 52 2.930 -1.379 -13.047 461 HZ1 LYS 52 HZ1 LYS 52 2.652 -3.929 -11.548 462 HZ2 LYS 52 HZ2 LYS 52 3.305 -2.504 -10.919 463 HZ3 LYS 52 HZ3 LYS 52 4.083 -3.300 -12.190 464 H MET 53 H MET 53 -1.762 -5.425 -10.275 465 HA MET 53 HA MET 53 0.635 -7.071 -10.037 466 HB2 MET 53 HB2 MET 53 -1.247 -5.954 -7.934 467 HB3 MET 53 HB3 MET 53 0.042 -7.085 -7.536 468 HG2 MET 53 HG2 MET 53 1.655 -5.452 -8.593 469 HG3 MET 53 HG3 MET 53 0.330 -4.290 -8.641 470 HE1 MET 53 HE1 MET 53 -0.845 -3.334 -6.375 471 HE2 MET 53 HE2 MET 53 -0.366 -3.846 -4.755 472 HE3 MET 53 HE3 MET 53 -1.170 -4.983 -5.837 473 H ASN 54 H ASN 54 0.800 -9.156 -9.562 474 HA ASN 54 HA ASN 54 -1.519 -10.949 -9.625 475 HB2 ASN 54 HB2 ASN 54 0.596 -11.487 -10.876 476 HB3 ASN 54 HB3 ASN 54 1.466 -11.577 -9.351 477 HD21 ASN 54 HD21 ASN 54 2.042 -13.722 -9.556 478 HD22 ASN 54 HD22 ASN 54 0.905 -15.024 -9.535 479 H GLU 55 H GLU 55 -1.478 -12.780 -7.879 480 HA GLU 55 HA GLU 55 -2.141 -11.647 -5.422 481 HB2 GLU 55 HB2 GLU 55 -3.042 -13.815 -6.240 482 HB3 GLU 55 HB3 GLU 55 -1.470 -14.566 -5.971 483 HG2 GLU 55 HG2 GLU 55 -1.654 -14.112 -3.563 484 HG3 GLU 55 HG3 GLU 55 -3.210 -13.327 -3.823 485 H GLU 56 H GLU 56 0.930 -13.071 -6.439 486 HA GLU 56 HA GLU 56 2.363 -13.261 -4.071 487 HB2 GLU 56 HB2 GLU 56 4.402 -12.819 -5.501 488 HB3 GLU 56 HB3 GLU 56 3.321 -14.051 -6.139 489 HG2 GLU 56 HG2 GLU 56 2.383 -12.396 -7.734 490 HG3 GLU 56 HG3 GLU 56 3.472 -11.167 -7.101 491 H GLU 57 H GLU 57 1.985 -10.351 -6.103 492 HA GLU 57 HA GLU 57 3.386 -8.551 -4.336 493 HB2 GLU 57 HB2 GLU 57 1.567 -7.983 -6.714 494 HB3 GLU 57 HB3 GLU 57 2.669 -6.827 -5.968 495 HG2 GLU 57 HG2 GLU 57 4.594 -8.033 -6.747 496 HG3 GLU 57 HG3 GLU 57 3.613 -9.409 -7.250 497 H LEU 58 H LEU 58 -0.007 -9.357 -4.977 498 HA LEU 58 HA LEU 58 -1.336 -7.382 -3.483 499 HB2 LEU 58 HB2 LEU 58 -2.213 -10.248 -4.004 500 HB3 LEU 58 HB3 LEU 58 -3.257 -8.979 -3.395 501 HG LEU 58 HG LEU 58 -2.068 -9.224 -6.170 502 HD11 LEU 58 HD11 LEU 58 -4.947 -9.001 -5.236 503 HD12 LEU 58 HD12 LEU 58 -4.137 -10.474 -5.777 504 HD13 LEU 58 HD13 LEU 58 -4.399 -9.152 -6.912 505 HD21 LEU 58 HD21 LEU 58 -3.473 -6.795 -5.030 506 HD22 LEU 58 HD22 LEU 58 -3.058 -7.044 -6.728 507 HD23 LEU 58 HD23 LEU 58 -1.782 -6.898 -5.525 508 H GLU 59 H GLU 59 -0.049 -10.531 -2.341 509 HA GLU 59 HA GLU 59 -1.193 -10.295 0.305 510 HB2 GLU 59 HB2 GLU 59 0.972 -12.168 -0.744 511 HB3 GLU 59 HB3 GLU 59 0.197 -12.301 0.833 512 HG2 GLU 59 HG2 GLU 59 -1.994 -12.613 -0.311 513 HG3 GLU 59 HG3 GLU 59 -1.164 -12.589 -1.863 514 H GLU 60 H GLU 60 1.905 -9.481 -1.178 515 HA GLU 60 HA GLU 60 3.248 -8.602 1.196 516 HB2 GLU 60 HB2 GLU 60 4.426 -9.041 -0.976 517 HB3 GLU 60 HB3 GLU 60 3.605 -7.655 -1.685 518 HG2 GLU 60 HG2 GLU 60 4.754 -6.165 -0.060 519 HG3 GLU 60 HG3 GLU 60 5.591 -7.565 0.609 520 H TYR 61 H TYR 61 1.010 -7.087 -1.103 521 HA TYR 61 HA TYR 61 1.068 -4.452 -0.046 522 HB2 TYR 61 HB2 TYR 61 0.211 -4.994 -2.325 523 HB3 TYR 61 HB3 TYR 61 -1.186 -5.788 -1.597 524 HD1 TYR 61 HD2 TYR 61 0.610 -2.522 -1.110 525 HD2 TYR 61 HD1 TYR 61 -3.148 -4.463 -1.730 526 HE1 TYR 61 HE2 TYR 61 -0.515 -0.357 -1.026 527 HE2 TYR 61 HE1 TYR 61 -4.286 -2.285 -1.637 528 HH TYR 61 HH TYR 61 -3.877 0.002 -0.792 529 H ASP 62 H ASP 62 -0.948 -7.291 0.726 530 HA ASP 62 HA ASP 62 -2.693 -6.083 2.601 531 HB2 ASP 62 HB2 ASP 62 -3.027 -8.371 1.678 532 HB3 ASP 62 HB3 ASP 62 -1.625 -8.942 2.574 533 H SER 63 H SER 63 0.549 -7.475 2.938 534 HA SER 63 HA SER 63 0.956 -7.056 5.717 535 HB2 SER 63 HB2 SER 63 2.980 -7.155 3.444 536 HB3 SER 63 HB3 SER 63 3.386 -7.254 5.159 537 HG SER 63 HG SER 63 1.860 -9.092 3.620 538 H LEU 64 H LEU 64 1.280 -4.837 2.955 539 HA LEU 64 HA LEU 64 2.502 -2.679 4.416 540 HB2 LEU 64 HB2 LEU 64 2.675 -2.945 1.938 541 HB3 LEU 64 HB3 LEU 64 0.957 -2.617 1.797 542 HG LEU 64 HG LEU 64 1.344 -0.315 2.710 543 HD11 LEU 64 HD11 LEU 64 4.293 -1.006 2.537 544 HD12 LEU 64 HD12 LEU 64 3.370 -0.705 4.014 545 HD13 LEU 64 HD13 LEU 64 3.620 0.598 2.856 546 HD21 LEU 64 HD21 LEU 64 1.228 -0.659 0.280 547 HD22 LEU 64 HD22 LEU 64 2.969 -0.948 0.220 548 HD23 LEU 64 HD23 LEU 64 2.350 0.640 0.682 549 H LEU 65 H LEU 65 -0.851 -3.526 3.559 550 HA LEU 65 HA LEU 65 -2.159 -1.269 4.737 551 HB2 LEU 65 HB2 LEU 65 -3.240 -4.091 4.320 552 HB3 LEU 65 HB3 LEU 65 -4.209 -2.645 4.594 553 HG LEU 65 HG LEU 65 -2.478 -3.173 2.146 554 HD11 LEU 65 HD11 LEU 65 -4.545 -3.425 0.891 555 HD12 LEU 65 HD12 LEU 65 -5.496 -3.214 2.362 556 HD13 LEU 65 HD13 LEU 65 -4.450 -4.625 2.180 557 HD21 LEU 65 HD21 LEU 65 -4.322 -0.845 2.738 558 HD22 LEU 65 HD22 LEU 65 -3.548 -1.170 1.184 559 HD23 LEU 65 HD23 LEU 65 -2.562 -0.797 2.595 560 H ASN 66 H ASN 66 -0.939 -4.284 5.950 561 HA ASN 66 HA ASN 66 -2.028 -4.294 8.573 562 HB2 ASN 66 HB2 ASN 66 -1.236 -6.349 7.660 563 HB3 ASN 66 HB3 ASN 66 0.292 -5.660 7.179 564 HD21 ASN 66 HD21 ASN 66 1.957 -5.536 8.662 565 HD22 ASN 66 HD22 ASN 66 1.911 -6.382 10.161 566 H GLU 67 H GLU 67 0.479 -2.343 7.147 567 HA GLU 67 HA GLU 67 2.066 -1.963 9.548 568 HB2 GLU 67 HB2 GLU 67 2.208 -0.540 6.854 569 HB3 GLU 67 HB3 GLU 67 3.352 -0.301 8.176 570 HG2 GLU 67 HG2 GLU 67 2.893 -2.837 6.591 571 HG3 GLU 67 HG3 GLU 67 4.304 -1.785 6.524 572 H LEU 68 H LEU 68 2.729 0.351 10.055 573 HA LEU 68 HA LEU 68 0.446 1.708 11.192 574 HB2 LEU 68 HB2 LEU 68 3.440 2.239 11.340 575 HB3 LEU 68 HB3 LEU 68 2.233 3.104 12.287 576 HG LEU 68 HG LEU 68 2.710 0.094 12.466 577 HD11 LEU 68 HD11 LEU 68 3.645 2.256 14.379 578 HD12 LEU 68 HD12 LEU 68 4.669 1.286 13.316 579 HD13 LEU 68 HD13 LEU 68 3.784 0.513 14.628 580 HD21 LEU 68 HD21 LEU 68 1.295 0.229 14.493 581 HD22 LEU 68 HD22 LEU 68 0.423 0.713 13.041 582 HD23 LEU 68 HD23 LEU 68 1.004 1.943 14.166 583 H ASP 69 H ASP 69 -0.519 3.497 10.447 584 HA ASP 69 HA ASP 69 -0.544 4.280 7.856 585 HB2 ASP 69 HB2 ASP 69 -1.323 5.881 10.307 586 HB3 ASP 69 HB3 ASP 69 -1.691 6.415 8.667 587 H TRP 70 H TRP 70 0.894 6.556 10.318 588 HA TRP 70 HA TRP 70 1.862 8.432 8.471 589 HB2 TRP 70 HB2 TRP 70 2.579 7.834 11.325 590 HB3 TRP 70 HB3 TRP 70 3.704 8.835 10.432 591 HD1 TRP 70 HD1 TRP 70 1.250 9.447 12.848 592 HE1 TRP 70 HE1 TRP 70 0.046 11.693 12.562 593 HE3 TRP 70 HE3 TRP 70 2.490 10.451 7.956 594 HZ2 TRP 70 HZ2 TRP 70 -0.322 13.633 10.576 595 HZ3 TRP 70 HZ3 TRP 70 1.663 12.544 6.955 596 HH2 TRP 70 HH2 TRP 70 0.287 14.101 8.243 597 H ASP 71 H ASP 71 3.399 5.498 9.692 598 HA ASP 71 HA ASP 71 6.040 6.043 8.771 599 HB2 ASP 71 HB2 ASP 71 4.691 3.394 9.451 600 HB3 ASP 71 HB3 ASP 71 6.428 3.640 9.273 601 H ILE 72 H ILE 72 3.332 4.170 7.357 602 HA ILE 72 HA ILE 72 4.439 3.238 4.960 603 HB ILE 72 HB ILE 72 1.617 4.332 5.396 604 HG12 ILE 72 HG12 ILE 72 2.523 1.425 5.567 605 HG13 ILE 72 HG13 ILE 72 2.316 2.466 6.968 606 HG21 ILE 72 HG21 ILE 72 2.582 2.452 3.204 607 HG22 ILE 72 HG22 ILE 72 2.080 4.130 2.989 608 HG23 ILE 72 HG23 ILE 72 0.903 2.919 3.493 609 HD11 ILE 72 HD11 ILE 72 0.411 0.991 6.657 610 HD12 ILE 72 HD12 ILE 72 0.129 1.653 5.047 611 HD13 ILE 72 HD13 ILE 72 -0.072 2.678 6.472 612 H TYR 73 H TYR 73 3.000 6.409 5.676 613 HA TYR 73 HA TYR 73 3.115 7.517 3.061 614 HB2 TYR 73 HB2 TYR 73 1.567 8.308 4.835 615 HB3 TYR 73 HB3 TYR 73 2.932 8.905 5.770 616 HD1 TYR 73 HD2 TYR 73 1.251 9.328 2.435 617 HD2 TYR 73 HD1 TYR 73 3.611 11.177 5.490 618 HE1 TYR 73 HE2 TYR 73 1.068 11.489 1.271 619 HE2 TYR 73 HE1 TYR 73 3.430 13.335 4.322 620 HH TYR 73 HH TYR 73 1.240 13.875 1.754 621 H TYR 74 H TYR 74 5.354 7.668 5.826 622 HA TYR 74 HA TYR 74 7.102 9.643 4.637 623 HB2 TYR 74 HB2 TYR 74 7.457 7.886 7.085 624 HB3 TYR 74 HB3 TYR 74 8.586 9.148 6.604 625 HD1 TYR 74 HD1 TYR 74 6.754 11.379 5.845 626 HD2 TYR 74 HD2 TYR 74 6.542 8.649 9.124 627 HE1 TYR 74 HE1 TYR 74 5.524 13.050 7.167 628 HE2 TYR 74 HE2 TYR 74 5.312 10.311 10.434 629 HH TYR 74 HH TYR 74 5.012 12.741 10.518 630 H TRP 75 H TRP 75 7.076 6.107 4.789 631 HA TRP 75 HA TRP 75 9.695 5.731 3.648 632 HB2 TRP 75 HB2 TRP 75 7.333 3.811 3.739 633 HB3 TRP 75 HB3 TRP 75 8.977 3.375 3.296 634 HD1 TRP 75 HD1 TRP 75 10.313 5.053 5.845 635 HE1 TRP 75 HE1 TRP 75 10.174 3.944 8.154 636 HE3 TRP 75 HE3 TRP 75 6.495 1.755 4.952 637 HZ2 TRP 75 HZ2 TRP 75 8.670 1.939 9.441 638 HZ3 TRP 75 HZ3 TRP 75 5.766 0.269 6.781 639 HH2 TRP 75 HH2 TRP 75 6.832 0.360 8.984 640 H ALA 76 H ALA 76 6.408 6.041 2.371 641 HA ALA 76 HA ALA 76 6.896 5.538 -0.371 642 HB1 ALA 76 HB1 ALA 76 4.640 5.691 0.611 643 HB2 ALA 76 HB2 ALA 76 4.809 6.767 -0.777 644 HB3 ALA 76 HB3 ALA 76 4.861 7.422 0.865 645 H THR 77 H THR 77 7.317 8.451 1.586 646 HA THR 77 HA THR 77 8.371 10.006 -0.692 647 HB THR 77 HB THR 77 8.440 11.915 0.882 648 HG1 THR 77 HG1 THR 77 8.393 9.995 2.768 649 HG21 THR 77 HG21 THR 77 5.795 10.420 1.038 650 HG22 THR 77 HG22 THR 77 6.298 11.507 -0.261 651 HG23 THR 77 HG23 THR 77 6.020 12.142 1.362 652 H LYS 78 H LYS 78 10.465 11.285 -0.170 653 HA LYS 78 HA LYS 78 12.512 9.541 1.015 654 HB2 LYS 78 HB2 LYS 78 12.671 10.932 -1.256 655 HB3 LYS 78 HB3 LYS 78 13.101 12.270 -0.205 656 HG2 LYS 78 HG2 LYS 78 14.602 9.625 -0.303 657 HG3 LYS 78 HG3 LYS 78 15.042 11.043 -1.256 658 HD2 LYS 78 HD2 LYS 78 15.434 12.309 0.857 659 HD3 LYS 78 HD3 LYS 78 15.017 10.869 1.790 660 HE2 LYS 78 HE2 LYS 78 16.951 9.677 0.845 661 HE3 LYS 78 HE3 LYS 78 17.344 11.071 -0.163 662 HZ1 LYS 78 HZ1 LYS 78 17.369 11.013 2.804 663 HZ2 LYS 78 HZ2 LYS 78 17.731 12.357 1.845 664 HZ3 LYS 78 HZ3 LYS 78 18.728 10.990 1.796 665 H ASN 79 H ASN 79 11.368 9.822 3.110 666 HA ASN 79 HA ASN 79 12.454 12.026 4.702 667 HB2 ASN 79 HB2 ASN 79 10.264 12.881 3.863 668 HB3 ASN 79 HB3 ASN 79 9.448 11.484 4.555 669 HD21 ASN 79 HD21 ASN 79 8.157 12.997 5.736 670 HD22 ASN 79 HD22 ASN 79 8.764 13.747 7.167 671 H PHE 80 H PHE 80 13.698 10.237 5.464 672 HA PHE 80 HA PHE 80 12.319 8.175 7.077 673 HB2 PHE 80 HB2 PHE 80 15.186 8.215 6.032 674 HB3 PHE 80 HB3 PHE 80 14.399 6.869 6.854 675 HD1 PHE 80 HD1 PHE 80 12.449 5.690 5.709 676 HD2 PHE 80 HD2 PHE 80 14.905 8.529 3.649 677 HE1 PHE 80 HE1 PHE 80 11.635 4.837 3.552 678 HE2 PHE 80 HE2 PHE 80 14.079 7.668 1.492 679 HZ PHE 80 HZ PHE 80 12.444 5.822 1.441 680 H LYS 81 H LYS 81 13.721 11.133 7.600 681 HA LYS 81 HA LYS 81 15.280 10.616 9.960 682 HB2 LYS 81 HB2 LYS 81 15.323 13.045 10.262 683 HB3 LYS 81 HB3 LYS 81 15.661 12.625 8.590 684 HG2 LYS 81 HG2 LYS 81 13.352 13.257 7.958 685 HG3 LYS 81 HG3 LYS 81 13.003 13.674 9.640 686 HD2 LYS 81 HD2 LYS 81 15.096 15.024 7.870 687 HD3 LYS 81 HD3 LYS 81 13.506 15.686 8.259 688 HE2 LYS 81 HE2 LYS 81 14.129 15.829 10.637 689 HE3 LYS 81 HE3 LYS 81 15.692 15.089 10.290 690 HZ1 LYS 81 HZ1 LYS 81 16.259 16.997 8.931 691 HZ2 LYS 81 HZ2 LYS 81 15.868 17.471 10.504 692 HZ3 LYS 81 HZ3 LYS 81 14.755 17.705 9.255 693 H THR 82 H THR 82 11.890 10.878 9.401 694 HA THR 82 HA THR 82 11.278 11.152 12.294 695 HB THR 82 HB THR 82 10.093 12.806 11.006 696 HG1 THR 82 HG1 THR 82 8.266 12.451 12.014 697 HG21 THR 82 HG21 THR 82 8.514 12.244 9.187 698 HG22 THR 82 HG22 THR 82 9.007 10.551 9.280 699 HG23 THR 82 HG23 THR 82 10.166 11.783 8.773 700 H SER 83 H SER 83 10.733 9.064 9.462 701 HA SER 83 HA SER 83 10.133 6.807 11.282 702 HB2 SER 83 HB2 SER 83 8.722 7.412 8.648 703 HB3 SER 83 HB3 SER 83 8.647 5.836 9.447 704 HG SER 83 HG SER 83 7.105 6.655 10.581 705 HA PRO 84 HA PRO 84 13.961 5.608 8.960 706 HB2 PRO 84 HB2 PRO 84 14.014 3.539 11.141 707 HB3 PRO 84 HB3 PRO 84 15.289 4.640 10.598 708 HG2 PRO 84 HG2 PRO 84 14.022 5.067 12.915 709 HG3 PRO 84 HG3 PRO 84 14.469 6.428 11.865 710 HD2 PRO 84 HD2 PRO 84 11.772 5.104 12.200 711 HD3 PRO 84 HD3 PRO 84 12.174 6.836 12.112 712 H LEU 85 H LEU 85 14.341 3.872 7.545 713 HA LEU 85 HA LEU 85 12.029 2.243 6.899 714 HB2 LEU 85 HB2 LEU 85 13.385 3.494 5.180 715 HB3 LEU 85 HB3 LEU 85 14.723 2.400 5.495 716 HG LEU 85 HG LEU 85 13.356 0.486 4.708 717 HD11 LEU 85 HD11 LEU 85 11.134 1.314 5.334 718 HD12 LEU 85 HD12 LEU 85 11.178 0.848 3.640 719 HD13 LEU 85 HD13 LEU 85 11.225 2.557 4.082 720 HD21 LEU 85 HD21 LEU 85 13.446 2.754 2.684 721 HD22 LEU 85 HD22 LEU 85 13.320 1.027 2.319 722 HD23 LEU 85 HD23 LEU 85 14.779 1.661 3.077 723 HA PRO 86 HA PRO 86 13.882 -1.282 9.167 724 HB2 PRO 86 HB2 PRO 86 11.422 -2.794 8.626 725 HB3 PRO 86 HB3 PRO 86 11.979 -2.117 10.157 726 HG2 PRO 86 HG2 PRO 86 9.788 -1.167 8.807 727 HG3 PRO 86 HG3 PRO 86 10.778 -0.169 9.892 728 HD2 PRO 86 HD2 PRO 86 10.859 -0.341 6.876 729 HD3 PRO 86 HD3 PRO 86 10.910 1.095 7.929 730 H ASP 87 H ASP 87 14.381 -3.577 8.660 731 HA ASP 87 HA ASP 87 15.518 -3.972 6.127 732 HB2 ASP 87 HB2 ASP 87 14.761 -6.083 8.200 733 HB3 ASP 87 HB3 ASP 87 15.859 -6.343 6.845 734 H LYS 88 H LYS 88 12.428 -5.063 7.411 735 HA LYS 88 HA LYS 88 11.567 -6.808 5.400 736 HB2 LYS 88 HB2 LYS 88 9.279 -6.409 6.312 737 HB3 LYS 88 HB3 LYS 88 10.479 -6.723 7.559 738 HG2 LYS 88 HG2 LYS 88 10.618 -4.258 7.982 739 HG3 LYS 88 HG3 LYS 88 9.323 -4.019 6.813 740 HD2 LYS 88 HD2 LYS 88 9.045 -5.684 9.353 741 HD3 LYS 88 HD3 LYS 88 8.590 -3.987 9.229 742 HE2 LYS 88 HE2 LYS 88 6.574 -5.223 8.986 743 HE3 LYS 88 HE3 LYS 88 6.986 -4.676 7.367 744 HZ1 LYS 88 HZ1 LYS 88 7.575 -7.386 8.423 745 HZ2 LYS 88 HZ2 LYS 88 7.771 -6.853 6.829 746 HZ3 LYS 88 HZ3 LYS 88 6.224 -6.995 7.487 747 H TRP 89 H TRP 89 11.501 -3.248 5.370 748 HA TRP 89 HA TRP 89 10.195 -3.322 2.700 749 HB2 TRP 89 HB2 TRP 89 10.275 -0.975 4.644 750 HB3 TRP 89 HB3 TRP 89 9.463 -1.001 3.080 751 HD1 TRP 89 HD1 TRP 89 8.709 -1.459 6.648 752 HE1 TRP 89 HE1 TRP 89 6.462 -2.654 6.990 753 HE3 TRP 89 HE3 TRP 89 7.905 -3.149 1.872 754 HZ2 TRP 89 HZ2 TRP 89 4.600 -4.132 5.462 755 HZ3 TRP 89 HZ3 TRP 89 5.870 -4.445 1.395 756 HH2 TRP 89 HH2 TRP 89 4.245 -4.926 3.160 757 H ALA 90 H ALA 90 13.173 -2.973 4.145 758 HA ALA 90 HA ALA 90 14.421 -0.852 2.731 759 HB1 ALA 90 HB1 ALA 90 15.367 -1.865 4.767 760 HB2 ALA 90 HB2 ALA 90 16.538 -1.878 3.446 761 HB3 ALA 90 HB3 ALA 90 15.679 -3.362 3.884 762 H ASN 91 H ASN 91 13.652 -4.107 1.810 763 HA ASN 91 HA ASN 91 15.047 -3.817 -0.793 764 HB2 ASN 91 HB2 ASN 91 15.199 -6.371 -0.740 765 HB3 ASN 91 HB3 ASN 91 16.215 -5.519 0.417 766 HD21 ASN 91 HD21 ASN 91 16.358 -7.361 1.710 767 HD22 ASN 91 HD22 ASN 91 15.053 -7.894 2.700 768 H SER 92 H SER 92 12.141 -3.386 0.315 769 HA SER 92 HA SER 92 10.498 -5.296 -1.110 770 HB2 SER 92 HB2 SER 92 9.607 -4.343 0.929 771 HB3 SER 92 HB3 SER 92 9.811 -2.703 0.327 772 HG SER 92 HG SER 92 7.862 -4.602 -0.293 773 H LYS 93 H LYS 93 10.168 -5.236 -3.254 774 HA LYS 93 HA LYS 93 10.566 -2.940 -4.917 775 HB2 LYS 93 HB2 LYS 93 10.775 -5.312 -5.716 776 HB3 LYS 93 HB3 LYS 93 9.024 -5.478 -5.587 777 HG2 LYS 93 HG2 LYS 93 8.768 -3.641 -7.263 778 HG3 LYS 93 HG3 LYS 93 10.528 -3.581 -7.424 779 HD2 LYS 93 HD2 LYS 93 10.512 -5.942 -8.207 780 HD3 LYS 93 HD3 LYS 93 8.749 -5.965 -8.065 781 HE2 LYS 93 HE2 LYS 93 8.613 -4.153 -9.763 782 HE3 LYS 93 HE3 LYS 93 10.372 -4.187 -9.923 783 HZ1 LYS 93 HZ1 LYS 93 10.206 -6.480 -10.670 784 HZ2 LYS 93 HZ2 LYS 93 9.310 -5.448 -11.661 785 HZ3 LYS 93 HZ3 LYS 93 8.524 -6.426 -10.526 786 H LEU 94 H LEU 94 7.713 -4.347 -3.325 787 HA LEU 94 HA LEU 94 5.624 -2.861 -4.455 788 HB2 LEU 94 HB2 LEU 94 5.230 -4.693 -2.884 789 HB3 LEU 94 HB3 LEU 94 6.032 -3.805 -1.600 790 HG LEU 94 HG LEU 94 4.142 -2.044 -1.861 791 HD11 LEU 94 HD11 LEU 94 2.005 -2.825 -2.742 792 HD12 LEU 94 HD12 LEU 94 2.760 -4.319 -3.305 793 HD13 LEU 94 HD13 LEU 94 3.235 -2.767 -4.004 794 HD21 LEU 94 HD21 LEU 94 3.456 -4.778 -0.760 795 HD22 LEU 94 HD22 LEU 94 2.645 -3.262 -0.362 796 HD23 LEU 94 HD23 LEU 94 4.333 -3.497 0.083 797 H LEU 95 H LEU 95 7.786 -2.019 -1.739 798 HA LEU 95 HA LEU 95 6.692 0.519 -1.133 799 HB2 LEU 95 HB2 LEU 95 8.251 -0.667 0.389 800 HB3 LEU 95 HB3 LEU 95 9.553 -0.432 -0.769 801 HG LEU 95 HG LEU 95 9.199 2.087 -0.511 802 HD11 LEU 95 HD11 LEU 95 7.525 1.288 1.881 803 HD12 LEU 95 HD12 LEU 95 6.937 2.052 0.400 804 HD13 LEU 95 HD13 LEU 95 8.047 2.920 1.454 805 HD21 LEU 95 HD21 LEU 95 10.105 0.587 1.955 806 HD22 LEU 95 HD22 LEU 95 10.476 2.267 1.556 807 HD23 LEU 95 HD23 LEU 95 11.085 0.967 0.536 808 H LYS 96 H LYS 96 9.250 -0.465 -3.392 809 HA LYS 96 HA LYS 96 10.058 2.111 -4.278 810 HB2 LYS 96 HB2 LYS 96 10.123 -0.536 -5.788 811 HB3 LYS 96 HB3 LYS 96 11.024 0.916 -6.235 812 HG2 LYS 96 HG2 LYS 96 12.350 0.777 -4.193 813 HG3 LYS 96 HG3 LYS 96 11.380 -0.588 -3.622 814 HD2 LYS 96 HD2 LYS 96 12.176 -1.919 -5.596 815 HD3 LYS 96 HD3 LYS 96 13.219 -0.565 -6.052 816 HE2 LYS 96 HE2 LYS 96 14.449 -0.793 -3.923 817 HE3 LYS 96 HE3 LYS 96 13.387 -2.116 -3.435 818 HZ1 LYS 96 HZ1 LYS 96 14.196 -3.397 -5.317 819 HZ2 LYS 96 HZ2 LYS 96 15.472 -2.924 -4.312 820 HZ3 LYS 96 HZ3 LYS 96 15.212 -2.126 -5.774 821 H GLN 97 H GLN 97 7.513 -0.092 -5.426 822 HA GLN 97 HA GLN 97 6.471 1.446 -7.571 823 HB2 GLN 97 HB2 GLN 97 5.100 -0.535 -5.698 824 HB3 GLN 97 HB3 GLN 97 4.360 0.106 -7.157 825 HG2 GLN 97 HG2 GLN 97 6.868 -1.606 -7.084 826 HG3 GLN 97 HG3 GLN 97 5.241 -2.198 -7.417 827 HE21 GLN 97 HE21 GLN 97 7.978 -0.516 -8.696 828 HE22 GLN 97 HE22 GLN 97 7.412 -0.386 -10.317 829 H LEU 98 H LEU 98 5.824 1.462 -4.082 830 HA LEU 98 HA LEU 98 3.632 3.301 -4.051 831 HB2 LEU 98 HB2 LEU 98 4.163 1.628 -2.251 832 HB3 LEU 98 HB3 LEU 98 5.580 2.569 -1.827 833 HG LEU 98 HG LEU 98 4.033 4.487 -1.212 834 HD11 LEU 98 HD11 LEU 98 2.074 3.873 -2.527 835 HD12 LEU 98 HD12 LEU 98 1.655 4.017 -0.823 836 HD13 LEU 98 HD13 LEU 98 1.842 2.417 -1.551 837 HD21 LEU 98 HD21 LEU 98 4.998 3.023 0.513 838 HD22 LEU 98 HD22 LEU 98 3.632 1.913 0.354 839 HD23 LEU 98 HD23 LEU 98 3.376 3.551 0.960 840 H GLN 99 H GLN 99 7.128 3.665 -3.796 841 HA GLN 99 HA GLN 99 7.210 6.473 -3.265 842 HB2 GLN 99 HB2 GLN 99 9.303 4.545 -4.344 843 HB3 GLN 99 HB3 GLN 99 9.639 6.246 -4.028 844 HG2 GLN 99 HG2 GLN 99 9.022 5.895 -1.640 845 HG3 GLN 99 HG3 GLN 99 8.781 4.183 -1.978 846 HE21 GLN 99 HE21 GLN 99 10.363 3.704 -0.394 847 HE22 GLN 99 HE22 GLN 99 12.046 3.885 -0.713 848 H GLU 100 H GLU 100 7.437 4.552 -6.257 849 HA GLU 100 HA GLU 100 7.694 6.643 -8.145 850 HB2 GLU 100 HB2 GLU 100 6.431 3.879 -8.361 851 HB3 GLU 100 HB3 GLU 100 6.610 4.956 -9.746 852 HG2 GLU 100 HG2 GLU 100 9.022 4.892 -9.557 853 HG3 GLU 100 HG3 GLU 100 8.925 3.954 -8.068 854 H PHE 101 H PHE 101 4.847 5.168 -6.650 855 HA PHE 101 HA PHE 101 2.895 6.535 -8.218 856 HB2 PHE 101 HB2 PHE 101 2.319 4.437 -7.095 857 HB3 PHE 101 HB3 PHE 101 2.626 5.154 -5.513 858 HD1 PHE 101 HD2 PHE 101 0.485 5.687 -8.568 859 HD2 PHE 101 HD1 PHE 101 0.787 6.040 -4.312 860 HE1 PHE 101 HE2 PHE 101 -1.830 6.503 -8.465 861 HE2 PHE 101 HE1 PHE 101 -1.529 6.859 -4.226 862 HZ PHE 101 HZ PHE 101 -2.833 7.098 -6.295 863 H SER 102 H SER 102 4.215 7.139 -4.941 864 HA SER 102 HA SER 102 2.470 9.171 -4.124 865 HB2 SER 102 HB2 SER 102 4.179 9.731 -2.418 866 HB3 SER 102 HB3 SER 102 3.978 7.985 -2.571 867 HG SER 102 HG SER 102 6.052 7.976 -2.874 868 H GLU 103 H GLU 103 5.553 9.456 -5.875 869 HA GLU 103 HA GLU 103 5.519 12.347 -5.985 870 HB2 GLU 103 HB2 GLU 103 7.502 12.104 -7.438 871 HB3 GLU 103 HB3 GLU 103 7.636 11.112 -5.992 872 HG2 GLU 103 HG2 GLU 103 6.953 9.120 -7.330 873 HG3 GLU 103 HG3 GLU 103 6.931 10.133 -8.774 874 H ASN 104 H ASN 104 4.331 9.752 -8.076 875 HA ASN 104 HA ASN 104 3.602 11.667 -10.217 876 HB2 ASN 104 HB2 ASN 104 3.814 8.629 -10.182 877 HB3 ASN 104 HB3 ASN 104 3.015 9.482 -11.498 878 HD21 ASN 104 HD21 ASN 104 6.077 8.778 -10.000 879 HD22 ASN 104 HD22 ASN 104 7.068 9.413 -11.255 880 H LYS 105 H LYS 105 2.129 11.444 -7.585 881 HA LYS 105 HA LYS 105 -0.581 10.708 -8.361 882 HB2 LYS 105 HB2 LYS 105 0.465 12.273 -5.959 883 HB3 LYS 105 HB3 LYS 105 -1.230 11.839 -6.189 884 HG2 LYS 105 HG2 LYS 105 -0.631 9.443 -6.128 885 HG3 LYS 105 HG3 LYS 105 1.064 9.873 -5.930 886 HD2 LYS 105 HD2 LYS 105 0.447 9.390 -3.741 887 HD3 LYS 105 HD3 LYS 105 0.254 11.138 -3.782 888 HE2 LYS 105 HE2 LYS 105 -1.990 9.109 -4.076 889 HE3 LYS 105 HE3 LYS 105 -1.605 9.994 -2.601 890 HZ1 LYS 105 HZ1 LYS 105 -2.114 12.056 -3.794 891 HZ2 LYS 105 HZ2 LYS 105 -3.436 11.007 -3.741 892 HZ3 LYS 105 HZ3 LYS 105 -2.547 11.161 -5.166 893 H GLU 106 H GLU 106 0.522 12.365 -10.278 894 HA GLU 106 HA GLU 106 -0.592 15.073 -9.971 895 HB2 GLU 106 HB2 GLU 106 1.230 13.925 -12.142 896 HB3 GLU 106 HB3 GLU 106 0.766 15.619 -11.966 897 HG2 GLU 106 HG2 GLU 106 1.944 15.692 -9.772 898 HG3 GLU 106 HG3 GLU 106 2.443 14.014 -10.001 899 H LYS 107 H LYS 107 -1.846 12.236 -10.789 900 HA LYS 107 HA LYS 107 -3.367 12.883 -13.163 901 HB2 LYS 107 HB2 LYS 107 -4.015 10.746 -11.083 902 HB3 LYS 107 HB3 LYS 107 -4.553 10.796 -12.761 903 HG2 LYS 107 HG2 LYS 107 -1.742 10.241 -11.740 904 HG3 LYS 107 HG3 LYS 107 -2.840 9.092 -12.511 905 HD2 LYS 107 HD2 LYS 107 -1.561 11.521 -13.846 906 HD3 LYS 107 HD3 LYS 107 -1.038 9.849 -14.047 907 HE2 LYS 107 HE2 LYS 107 -3.174 9.292 -15.131 908 HE3 LYS 107 HE3 LYS 107 -3.759 10.937 -14.869 909 HZ1 LYS 107 HZ1 LYS 107 -1.978 11.744 -16.288 910 HZ2 LYS 107 HZ2 LYS 107 -2.963 10.643 -17.107 911 HZ3 LYS 107 HZ3 LYS 107 -1.441 10.161 -16.549 912 H GLU 108 H GLU 108 -3.451 13.818 -9.978 913 HA GLU 108 HA GLU 108 -6.246 14.797 -10.016 914 HB2 GLU 108 HB2 GLU 108 -6.356 14.312 -7.583 915 HB3 GLU 108 HB3 GLU 108 -6.028 12.839 -8.496 916 HG2 GLU 108 HG2 GLU 108 -3.583 13.140 -7.978 917 HG3 GLU 108 HG3 GLU 108 -4.014 14.494 -6.937 918 H ILE 109 H ILE 109 -6.475 16.614 -8.251 919 HA ILE 109 HA ILE 109 -4.165 18.455 -8.487 920 HB ILE 109 HB ILE 109 -5.683 20.291 -7.971 921 HG12 ILE 109 HG12 ILE 109 -7.930 18.224 -7.728 922 HG13 ILE 109 HG13 ILE 109 -7.199 19.071 -6.371 923 HG21 ILE 109 HG21 ILE 109 -5.516 19.564 -10.320 924 HG22 ILE 109 HG22 ILE 109 -7.116 20.218 -9.978 925 HG23 ILE 109 HG23 ILE 109 -6.886 18.472 -10.093 926 HD11 ILE 109 HD11 ILE 109 -9.314 20.058 -6.929 927 HD12 ILE 109 HD12 ILE 109 -8.811 20.305 -8.599 928 HD13 ILE 109 HD13 ILE 109 -8.026 21.205 -7.297 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -44.061 -9.849 20.334 2 H2 MET 1 H2 MET 1 -45.358 -10.859 19.951 3 H3 MET 1 H3 MET 1 -45.267 -9.311 19.277 4 HA MET 1 HA MET 1 -44.657 -10.964 17.648 5 HB2 MET 1 HB2 MET 1 -42.236 -9.367 18.597 6 HB3 MET 1 HB3 MET 1 -42.441 -10.052 16.989 7 HG2 MET 1 HG2 MET 1 -44.339 -8.561 16.584 8 HG3 MET 1 HG3 MET 1 -44.166 -7.887 18.206 9 HE1 MET 1 HE1 MET 1 -42.892 -4.876 16.103 10 HE2 MET 1 HE2 MET 1 -43.958 -5.405 17.404 11 HE3 MET 1 HE3 MET 1 -44.257 -5.935 15.747 12 H GLY 2 H GLY 2 -43.136 -12.615 16.924 13 HA2 GLY 2 HA2 GLY 2 -41.241 -13.810 18.761 14 HA3 GLY 2 HA3 GLY 2 -42.703 -14.773 18.552 15 H HIS 3 H HIS 3 -39.914 -15.365 17.793 16 HA HIS 3 HA HIS 3 -40.212 -15.715 14.848 17 HB2 HIS 3 HB2 HIS 3 -37.673 -15.764 16.553 18 HB3 HIS 3 HB3 HIS 3 -37.734 -16.018 14.814 19 HD1 HIS 3 HD1 HIS 3 -37.861 -13.948 13.317 20 HD2 HIS 3 HD2 HIS 3 -38.072 -13.069 17.376 21 HE1 HIS 3 HE1 HIS 3 -37.670 -11.454 13.477 22 HE2 HIS 3 HE2 HIS 3 -37.697 -10.948 15.940 23 H HIS 4 H HIS 4 -40.939 -17.722 14.372 24 HA HIS 4 HA HIS 4 -40.917 -19.962 16.066 25 HB2 HIS 4 HB2 HIS 4 -41.419 -21.290 13.924 26 HB3 HIS 4 HB3 HIS 4 -42.524 -19.987 14.321 27 HD1 HIS 4 HD1 HIS 4 -43.012 -18.376 12.504 28 HD2 HIS 4 HD2 HIS 4 -39.532 -20.508 11.735 29 HE1 HIS 4 HE1 HIS 4 -42.338 -17.733 10.182 30 HE2 HIS 4 HE2 HIS 4 -40.159 -18.910 9.791 31 H HIS 5 H HIS 5 -39.337 -21.296 16.708 32 HA HIS 5 HA HIS 5 -36.644 -20.952 15.844 33 HB2 HIS 5 HB2 HIS 5 -37.315 -21.562 18.182 34 HB3 HIS 5 HB3 HIS 5 -37.773 -23.164 17.613 35 HD1 HIS 5 HD1 HIS 5 -34.725 -20.956 18.020 36 HD2 HIS 5 HD2 HIS 5 -35.659 -24.962 17.431 37 HE1 HIS 5 HE1 HIS 5 -32.560 -22.195 18.278 38 HE2 HIS 5 HE2 HIS 5 -33.118 -24.580 17.729 39 H HIS 6 H HIS 6 -35.732 -21.781 14.087 40 HA HIS 6 HA HIS 6 -36.894 -23.887 12.514 41 HB2 HIS 6 HB2 HIS 6 -34.210 -22.463 12.216 42 HB3 HIS 6 HB3 HIS 6 -34.939 -23.520 11.008 43 HD1 HIS 6 HD1 HIS 6 -35.129 -20.068 12.415 44 HD2 HIS 6 HD2 HIS 6 -37.147 -22.383 9.614 45 HE1 HIS 6 HE1 HIS 6 -36.570 -18.466 11.134 46 HE2 HIS 6 HE2 HIS 6 -37.578 -19.849 9.298 47 H HIS 7 H HIS 7 -35.750 -25.840 11.860 48 HA HIS 7 HA HIS 7 -34.927 -27.346 14.183 49 HB2 HIS 7 HB2 HIS 7 -35.201 -28.239 11.281 50 HB3 HIS 7 HB3 HIS 7 -35.102 -29.297 12.685 51 HD1 HIS 7 HD1 HIS 7 -37.512 -27.861 10.482 52 HD2 HIS 7 HD2 HIS 7 -37.439 -28.730 14.543 53 HE1 HIS 7 HE1 HIS 7 -39.914 -27.966 11.179 54 HE2 HIS 7 HE2 HIS 7 -39.839 -28.706 13.581 55 H HIS 8 H HIS 8 -33.136 -29.153 13.657 56 HA HIS 8 HA HIS 8 -30.586 -27.805 13.304 57 HB2 HIS 8 HB2 HIS 8 -29.590 -29.996 13.946 58 HB3 HIS 8 HB3 HIS 8 -30.828 -29.474 15.078 59 HD1 HIS 8 HD1 HIS 8 -30.178 -32.035 12.400 60 HD2 HIS 8 HD2 HIS 8 -32.970 -31.247 15.369 61 HE1 HIS 8 HE1 HIS 8 -31.592 -34.091 12.538 62 HE2 HIS 8 HE2 HIS 8 -33.168 -33.658 14.450 63 H SER 9 H SER 9 -31.731 -27.488 10.923 64 HA SER 9 HA SER 9 -31.420 -29.652 9.055 65 HB2 SER 9 HB2 SER 9 -32.149 -27.989 7.367 66 HB3 SER 9 HB3 SER 9 -33.200 -27.966 8.780 67 HG SER 9 HG SER 9 -31.048 -26.162 8.361 68 H HIS 10 H HIS 10 -29.869 -29.967 7.507 69 HA HIS 10 HA HIS 10 -27.273 -28.804 7.704 70 HB2 HIS 10 HB2 HIS 10 -26.800 -30.073 5.566 71 HB3 HIS 10 HB3 HIS 10 -27.492 -31.065 6.845 72 HD1 HIS 10 HD1 HIS 10 -28.718 -29.181 3.762 73 HD2 HIS 10 HD2 HIS 10 -29.606 -32.565 5.998 74 HE1 HIS 10 HE1 HIS 10 -30.580 -30.317 2.536 75 HE2 HIS 10 HE2 HIS 10 -31.234 -32.233 4.019 76 H MET 11 H MET 11 -26.193 -27.393 6.280 77 HA MET 11 HA MET 11 -27.666 -26.005 4.171 78 HB2 MET 11 HB2 MET 11 -27.088 -23.746 5.083 79 HB3 MET 11 HB3 MET 11 -28.214 -24.626 6.104 80 HG2 MET 11 HG2 MET 11 -26.443 -25.142 7.692 81 HG3 MET 11 HG3 MET 11 -25.242 -24.395 6.638 82 HE1 MET 11 HE1 MET 11 -28.555 -22.036 8.861 83 HE2 MET 11 HE2 MET 11 -28.354 -23.786 8.967 84 HE3 MET 11 HE3 MET 11 -28.909 -23.048 7.463 85 H ILE 12 H ILE 12 -26.389 -25.547 2.474 86 HA ILE 12 HA ILE 12 -23.586 -26.092 2.358 87 HB ILE 12 HB ILE 12 -25.355 -24.482 0.445 88 HG12 ILE 12 HG12 ILE 12 -24.510 -27.419 0.298 89 HG13 ILE 12 HG13 ILE 12 -26.106 -26.855 0.780 90 HG21 ILE 12 HG21 ILE 12 -22.989 -23.943 0.072 91 HG22 ILE 12 HG22 ILE 12 -23.617 -24.895 -1.273 92 HG23 ILE 12 HG23 ILE 12 -22.596 -25.660 -0.054 93 HD11 ILE 12 HD11 ILE 12 -26.123 -27.663 -1.496 94 HD12 ILE 12 HD12 ILE 12 -24.854 -26.531 -1.953 95 HD13 ILE 12 HD13 ILE 12 -26.447 -25.931 -1.477 96 H LYS 13 H LYS 13 -21.964 -24.795 3.100 97 HA LYS 13 HA LYS 13 -22.661 -22.192 4.236 98 HB2 LYS 13 HB2 LYS 13 -21.324 -24.033 5.443 99 HB3 LYS 13 HB3 LYS 13 -19.962 -23.604 4.410 100 HG2 LYS 13 HG2 LYS 13 -19.939 -21.334 5.333 101 HG3 LYS 13 HG3 LYS 13 -21.388 -21.684 6.284 102 HD2 LYS 13 HD2 LYS 13 -20.108 -23.433 7.533 103 HD3 LYS 13 HD3 LYS 13 -18.658 -22.999 6.617 104 HE2 LYS 13 HE2 LYS 13 -18.790 -20.695 7.559 105 HE3 LYS 13 HE3 LYS 13 -20.202 -21.177 8.508 106 HZ1 LYS 13 HZ1 LYS 13 -18.175 -21.228 9.791 107 HZ2 LYS 13 HZ2 LYS 13 -17.485 -22.337 8.720 108 HZ3 LYS 13 HZ3 LYS 13 -18.826 -22.783 9.646 109 H ARG 14 H ARG 14 -22.428 -20.373 3.090 110 HA ARG 14 HA ARG 14 -20.941 -20.281 0.591 111 HB2 ARG 14 HB2 ARG 14 -22.836 -18.346 1.968 112 HB3 ARG 14 HB3 ARG 14 -21.888 -17.827 0.586 113 HG2 ARG 14 HG2 ARG 14 -24.064 -18.415 -0.210 114 HG3 ARG 14 HG3 ARG 14 -22.940 -19.647 -0.778 115 HD2 ARG 14 HD2 ARG 14 -23.707 -21.140 1.071 116 HD3 ARG 14 HD3 ARG 14 -24.873 -19.903 1.553 117 HE ARG 14 HE ARG 14 -25.174 -20.615 -1.196 118 HH11 ARG 14 HH11 ARG 14 -25.986 -21.728 1.985 119 HH12 ARG 14 HH12 ARG 14 -27.334 -22.648 1.424 120 HH21 ARG 14 HH21 ARG 14 -26.908 -21.774 -1.870 121 HH22 ARG 14 HH22 ARG 14 -27.858 -22.662 -0.734 122 H THR 15 H THR 15 -19.761 -19.952 3.629 123 HA THR 15 HA THR 15 -18.271 -17.496 3.434 124 HB THR 15 HB THR 15 -17.044 -18.268 5.461 125 HG1 THR 15 HG1 THR 15 -16.900 -20.427 5.407 126 HG21 THR 15 HG21 THR 15 -18.971 -18.335 7.013 127 HG22 THR 15 HG22 THR 15 -20.058 -18.649 5.659 128 HG23 THR 15 HG23 THR 15 -19.201 -17.109 5.762 129 H ASN 16 H ASN 16 -17.334 -17.765 1.370 130 HA ASN 16 HA ASN 16 -14.593 -18.759 1.512 131 HB2 ASN 16 HB2 ASN 16 -15.850 -20.677 0.498 132 HB3 ASN 16 HB3 ASN 16 -16.478 -19.605 -0.750 133 HD21 ASN 16 HD21 ASN 16 -15.547 -20.775 -2.434 134 HD22 ASN 16 HD22 ASN 16 -13.845 -20.842 -2.709 135 H GLU 17 H GLU 17 -13.229 -17.447 0.299 136 HA GLU 17 HA GLU 17 -14.456 -15.187 -1.188 137 HB2 GLU 17 HB2 GLU 17 -13.551 -14.440 0.971 138 HB3 GLU 17 HB3 GLU 17 -11.988 -15.157 0.591 139 HG2 GLU 17 HG2 GLU 17 -11.709 -13.573 -1.283 140 HG3 GLU 17 HG3 GLU 17 -13.285 -12.866 -0.921 141 HA PRO 18 HA PRO 18 -11.776 -16.808 -4.617 142 HB2 PRO 18 HB2 PRO 18 -13.179 -14.467 -5.906 143 HB3 PRO 18 HB3 PRO 18 -12.928 -16.110 -6.519 144 HG2 PRO 18 HG2 PRO 18 -15.326 -15.367 -5.619 145 HG3 PRO 18 HG3 PRO 18 -14.696 -16.991 -5.258 146 HD2 PRO 18 HD2 PRO 18 -14.796 -14.553 -3.483 147 HD3 PRO 18 HD3 PRO 18 -15.166 -16.247 -3.086 148 H LEU 19 H LEU 19 -10.019 -15.806 -5.763 149 HA LEU 19 HA LEU 19 -8.382 -14.038 -4.351 150 HB2 LEU 19 HB2 LEU 19 -7.696 -15.771 -6.034 151 HB3 LEU 19 HB3 LEU 19 -8.295 -14.748 -7.317 152 HG LEU 19 HG LEU 19 -5.776 -14.825 -6.991 153 HD11 LEU 19 HD11 LEU 19 -6.794 -13.049 -8.324 154 HD12 LEU 19 HD12 LEU 19 -5.355 -12.492 -7.473 155 HD13 LEU 19 HD13 LEU 19 -6.960 -12.047 -6.879 156 HD21 LEU 19 HD21 LEU 19 -6.337 -13.132 -4.545 157 HD22 LEU 19 HD22 LEU 19 -4.748 -13.476 -5.236 158 HD23 LEU 19 HD23 LEU 19 -5.710 -14.782 -4.549 159 H ASP 20 H ASP 20 -10.665 -13.412 -6.977 160 HA ASP 20 HA ASP 20 -9.933 -10.707 -7.503 161 HB2 ASP 20 HB2 ASP 20 -11.158 -12.233 -9.094 162 HB3 ASP 20 HB3 ASP 20 -12.593 -12.085 -8.083 163 H LYS 21 H LYS 21 -12.301 -12.186 -5.297 164 HA LYS 21 HA LYS 21 -13.394 -9.690 -4.332 165 HB2 LYS 21 HB2 LYS 21 -13.562 -12.509 -3.223 166 HB3 LYS 21 HB3 LYS 21 -14.287 -11.125 -2.409 167 HG2 LYS 21 HG2 LYS 21 -15.576 -10.717 -4.605 168 HG3 LYS 21 HG3 LYS 21 -15.043 -12.336 -5.081 169 HD2 LYS 21 HD2 LYS 21 -16.154 -13.297 -3.093 170 HD3 LYS 21 HD3 LYS 21 -16.634 -11.683 -2.559 171 HE2 LYS 21 HE2 LYS 21 -18.002 -11.463 -4.655 172 HE3 LYS 21 HE3 LYS 21 -17.598 -13.135 -5.053 173 HZ1 LYS 21 HZ1 LYS 21 -18.669 -13.830 -3.002 174 HZ2 LYS 21 HZ2 LYS 21 -19.746 -12.971 -3.980 175 HZ3 LYS 21 HZ3 LYS 21 -19.055 -12.226 -2.630 176 H LYS 22 H LYS 22 -10.700 -11.776 -3.317 177 HA LYS 22 HA LYS 22 -9.942 -10.450 -0.936 178 HB2 LYS 22 HB2 LYS 22 -8.848 -12.538 -1.555 179 HB3 LYS 22 HB3 LYS 22 -8.249 -11.838 -3.056 180 HG2 LYS 22 HG2 LYS 22 -6.968 -10.167 -1.430 181 HG3 LYS 22 HG3 LYS 22 -7.249 -11.433 -0.235 182 HD2 LYS 22 HD2 LYS 22 -6.005 -13.037 -1.547 183 HD3 LYS 22 HD3 LYS 22 -5.924 -11.927 -2.916 184 HE2 LYS 22 HE2 LYS 22 -3.773 -11.964 -1.809 185 HE3 LYS 22 HE3 LYS 22 -4.518 -10.390 -1.547 186 HZ1 LYS 22 HZ1 LYS 22 -3.443 -11.368 0.427 187 HZ2 LYS 22 HZ2 LYS 22 -4.586 -12.612 0.416 188 HZ3 LYS 22 HZ3 LYS 22 -5.076 -11.009 0.672 189 H ARG 23 H ARG 23 -8.931 -9.913 -4.305 190 HA ARG 23 HA ARG 23 -7.298 -7.683 -4.116 191 HB2 ARG 23 HB2 ARG 23 -7.630 -8.993 -6.165 192 HB3 ARG 23 HB3 ARG 23 -9.302 -8.455 -6.271 193 HG2 ARG 23 HG2 ARG 23 -8.411 -6.088 -6.572 194 HG3 ARG 23 HG3 ARG 23 -6.797 -6.798 -6.704 195 HD2 ARG 23 HD2 ARG 23 -7.768 -6.395 -8.934 196 HD3 ARG 23 HD3 ARG 23 -7.535 -8.118 -8.654 197 HE ARG 23 HE ARG 23 -9.824 -8.440 -8.664 198 HH11 ARG 23 HH11 ARG 23 -9.216 -5.028 -8.732 199 HH12 ARG 23 HH12 ARG 23 -10.855 -4.640 -9.108 200 HH21 ARG 23 HH21 ARG 23 -11.907 -7.917 -9.101 201 HH22 ARG 23 HH22 ARG 23 -12.370 -6.262 -9.309 202 H ALA 24 H ALA 24 -10.835 -7.720 -4.641 203 HA ALA 24 HA ALA 24 -11.324 -4.956 -4.536 204 HB1 ALA 24 HB1 ALA 24 -13.180 -7.213 -3.740 205 HB2 ALA 24 HB2 ALA 24 -12.945 -6.604 -5.378 206 HB3 ALA 24 HB3 ALA 24 -13.669 -5.563 -4.149 207 H ARG 25 H ARG 25 -11.169 -7.363 -1.918 208 HA ARG 25 HA ARG 25 -12.061 -5.646 0.186 209 HB2 ARG 25 HB2 ARG 25 -12.273 -8.081 0.364 210 HB3 ARG 25 HB3 ARG 25 -10.522 -8.268 0.311 211 HG2 ARG 25 HG2 ARG 25 -10.320 -7.076 2.475 212 HG3 ARG 25 HG3 ARG 25 -12.071 -6.868 2.529 213 HD2 ARG 25 HD2 ARG 25 -11.254 -8.742 3.962 214 HD3 ARG 25 HD3 ARG 25 -12.408 -9.262 2.730 215 HE ARG 25 HE ARG 25 -10.724 -10.395 1.613 216 HH11 ARG 25 HH11 ARG 25 -9.311 -8.734 4.297 217 HH12 ARG 25 HH12 ARG 25 -7.864 -9.674 4.232 218 HH21 ARG 25 HH21 ARG 25 -8.901 -11.554 1.542 219 HH22 ARG 25 HH22 ARG 25 -7.642 -11.279 2.696 220 H LEU 26 H LEU 26 -8.836 -6.384 -1.142 221 HA LEU 26 HA LEU 26 -7.314 -5.184 0.955 222 HB2 LEU 26 HB2 LEU 26 -6.562 -5.552 -1.975 223 HB3 LEU 26 HB3 LEU 26 -5.458 -5.037 -0.712 224 HG LEU 26 HG LEU 26 -6.801 -7.774 -0.856 225 HD11 LEU 26 HD11 LEU 26 -5.063 -7.500 -2.560 226 HD12 LEU 26 HD12 LEU 26 -4.543 -8.630 -1.312 227 HD13 LEU 26 HD13 LEU 26 -3.907 -6.981 -1.330 228 HD21 LEU 26 HD21 LEU 26 -6.491 -7.108 1.469 229 HD22 LEU 26 HD22 LEU 26 -4.811 -6.659 1.155 230 HD23 LEU 26 HD23 LEU 26 -5.314 -8.353 1.048 231 H ILE 27 H ILE 27 -8.473 -3.920 -2.189 232 HA ILE 27 HA ILE 27 -7.678 -1.240 -1.993 233 HB ILE 27 HB ILE 27 -10.231 -2.349 -3.257 234 HG12 ILE 27 HG12 ILE 27 -7.519 -1.853 -4.570 235 HG13 ILE 27 HG13 ILE 27 -8.107 -3.432 -4.075 236 HG21 ILE 27 HG21 ILE 27 -8.812 0.282 -3.831 237 HG22 ILE 27 HG22 ILE 27 -10.374 0.099 -3.030 238 HG23 ILE 27 HG23 ILE 27 -10.197 -0.349 -4.726 239 HD11 ILE 27 HD11 ILE 27 -9.312 -1.680 -6.215 240 HD12 ILE 27 HD12 ILE 27 -9.923 -3.262 -5.718 241 HD13 ILE 27 HD13 ILE 27 -8.328 -3.123 -6.459 242 H TYR 28 H TYR 28 -10.547 -2.845 -0.682 243 HA TYR 28 HA TYR 28 -11.890 -0.645 0.483 244 HB2 TYR 28 HB2 TYR 28 -12.982 -2.765 0.021 245 HB3 TYR 28 HB3 TYR 28 -11.893 -3.620 1.092 246 HD1 TYR 28 HD2 TYR 28 -14.702 -1.149 1.035 247 HD2 TYR 28 HD1 TYR 28 -12.436 -3.892 3.418 248 HE1 TYR 28 HE2 TYR 28 -16.366 -0.966 2.842 249 HE2 TYR 28 HE1 TYR 28 -14.096 -3.704 5.214 250 HH TYR 28 HH TYR 28 -17.152 -2.327 4.779 251 H GLN 29 H GLN 29 -9.386 -2.822 1.776 252 HA GLN 29 HA GLN 29 -9.367 -1.692 4.459 253 HB2 GLN 29 HB2 GLN 29 -7.482 -3.642 3.066 254 HB3 GLN 29 HB3 GLN 29 -7.386 -3.218 4.773 255 HG2 GLN 29 HG2 GLN 29 -9.483 -4.287 5.248 256 HG3 GLN 29 HG3 GLN 29 -9.859 -4.465 3.538 257 HE21 GLN 29 HE21 GLN 29 -7.203 -5.430 2.789 258 HE22 GLN 29 HE22 GLN 29 -7.086 -7.032 3.405 259 H SER 30 H SER 30 -7.799 -0.963 1.454 260 HA SER 30 HA SER 30 -5.660 0.689 2.432 261 HB2 SER 30 HB2 SER 30 -7.137 0.914 -0.232 262 HB3 SER 30 HB3 SER 30 -5.514 1.510 0.132 263 HG SER 30 HG SER 30 -4.764 -0.530 0.149 264 H ARG 31 H ARG 31 -9.047 1.149 1.615 265 HA ARG 31 HA ARG 31 -9.099 4.007 2.019 266 HB2 ARG 31 HB2 ARG 31 -11.359 2.003 1.661 267 HB3 ARG 31 HB3 ARG 31 -11.562 3.759 1.688 268 HG2 ARG 31 HG2 ARG 31 -9.976 3.845 -0.316 269 HG3 ARG 31 HG3 ARG 31 -10.112 2.086 -0.389 270 HD2 ARG 31 HD2 ARG 31 -11.650 3.148 -1.970 271 HD3 ARG 31 HD3 ARG 31 -12.559 2.299 -0.712 272 HE ARG 31 HE ARG 31 -12.256 4.913 0.157 273 HH11 ARG 31 HH11 ARG 31 -13.831 3.378 -2.501 274 HH12 ARG 31 HH12 ARG 31 -15.038 4.603 -2.624 275 HH21 ARG 31 HH21 ARG 31 -13.785 6.460 -0.008 276 HH22 ARG 31 HH22 ARG 31 -15.013 6.337 -1.220 277 H LYS 32 H LYS 32 -9.302 1.310 4.164 278 HA LYS 32 HA LYS 32 -10.292 3.072 6.338 279 HB2 LYS 32 HB2 LYS 32 -9.669 0.082 6.336 280 HB3 LYS 32 HB3 LYS 32 -10.205 1.007 7.744 281 HG2 LYS 32 HG2 LYS 32 -12.275 1.636 6.369 282 HG3 LYS 32 HG3 LYS 32 -11.763 0.393 5.214 283 HD2 LYS 32 HD2 LYS 32 -11.952 -1.330 6.925 284 HD3 LYS 32 HD3 LYS 32 -12.264 -0.112 8.170 285 HE2 LYS 32 HE2 LYS 32 -14.076 -0.777 5.824 286 HE3 LYS 32 HE3 LYS 32 -14.346 -1.214 7.511 287 HZ1 LYS 32 HZ1 LYS 32 -14.492 1.139 8.055 288 HZ2 LYS 32 HZ2 LYS 32 -15.635 0.704 6.889 289 HZ3 LYS 32 HZ3 LYS 32 -14.248 1.549 6.430 290 H ARG 33 H ARG 33 -8.755 4.266 7.294 291 HA ARG 33 HA ARG 33 -6.111 3.231 7.944 292 HB2 ARG 33 HB2 ARG 33 -6.456 4.659 5.486 293 HB3 ARG 33 HB3 ARG 33 -5.739 5.831 6.580 294 HG2 ARG 33 HG2 ARG 33 -3.963 4.728 5.369 295 HG3 ARG 33 HG3 ARG 33 -3.895 4.213 7.055 296 HD2 ARG 33 HD2 ARG 33 -5.409 2.205 6.129 297 HD3 ARG 33 HD3 ARG 33 -4.626 2.626 4.607 298 HE ARG 33 HE ARG 33 -2.495 2.374 6.121 299 HH11 ARG 33 HH11 ARG 33 -5.297 0.313 6.058 300 HH12 ARG 33 HH12 ARG 33 -4.418 -1.051 6.657 301 HH21 ARG 33 HH21 ARG 33 -1.415 0.597 6.887 302 HH22 ARG 33 HH22 ARG 33 -2.262 -0.880 7.136 303 H GLY 34 H GLY 34 -4.880 4.683 9.368 304 HA2 GLY 34 HA2 GLY 34 -6.486 5.933 11.377 305 HA3 GLY 34 HA3 GLY 34 -4.733 5.939 11.282 306 H ILE 35 H ILE 35 -4.630 7.221 8.634 307 HA ILE 35 HA ILE 35 -5.691 9.933 9.183 308 HB ILE 35 HB ILE 35 -3.603 10.942 8.267 309 HG12 ILE 35 HG12 ILE 35 -2.423 8.126 8.426 310 HG13 ILE 35 HG13 ILE 35 -2.838 8.954 6.932 311 HG21 ILE 35 HG21 ILE 35 -3.903 10.780 10.696 312 HG22 ILE 35 HG22 ILE 35 -2.203 10.635 10.261 313 HG23 ILE 35 HG23 ILE 35 -3.122 9.195 10.705 314 HD11 ILE 35 HD11 ILE 35 -1.139 10.640 7.389 315 HD12 ILE 35 HD12 ILE 35 -0.459 9.012 7.369 316 HD13 ILE 35 HD13 ILE 35 -0.741 9.827 8.904 317 H LEU 36 H LEU 36 -6.110 11.246 7.402 318 HA LEU 36 HA LEU 36 -6.976 9.932 5.002 319 HB2 LEU 36 HB2 LEU 36 -7.030 12.820 5.902 320 HB3 LEU 36 HB3 LEU 36 -7.548 12.363 4.293 321 HG LEU 36 HG LEU 36 -9.499 12.621 5.699 322 HD11 LEU 36 HD11 LEU 36 -10.602 10.465 5.426 323 HD12 LEU 36 HD12 LEU 36 -9.041 9.676 5.174 324 HD13 LEU 36 HD13 LEU 36 -9.626 10.873 4.015 325 HD21 LEU 36 HD21 LEU 36 -8.492 12.276 7.904 326 HD22 LEU 36 HD22 LEU 36 -8.346 10.545 7.587 327 HD23 LEU 36 HD23 LEU 36 -9.943 11.292 7.704 328 H GLU 37 H GLU 37 -4.032 11.499 5.876 329 HA GLU 37 HA GLU 37 -3.058 12.285 3.327 330 HB2 GLU 37 HB2 GLU 37 -1.580 11.459 5.867 331 HB3 GLU 37 HB3 GLU 37 -0.746 12.035 4.431 332 HG2 GLU 37 HG2 GLU 37 -0.962 13.795 6.118 333 HG3 GLU 37 HG3 GLU 37 -1.812 14.215 4.630 334 H THR 38 H THR 38 -2.440 9.299 5.198 335 HA THR 38 HA THR 38 -1.152 7.898 3.050 336 HB THR 38 HB THR 38 -2.335 6.669 5.569 337 HG1 THR 38 HG1 THR 38 0.340 7.082 5.585 338 HG21 THR 38 HG21 THR 38 -0.089 5.732 3.736 339 HG22 THR 38 HG22 THR 38 -1.688 4.991 3.857 340 HG23 THR 38 HG23 THR 38 -0.583 4.941 5.235 341 H ASP 39 H ASP 39 -4.483 8.129 4.203 342 HA ASP 39 HA ASP 39 -5.697 6.054 2.787 343 HB2 ASP 39 HB2 ASP 39 -6.887 7.445 4.433 344 HB3 ASP 39 HB3 ASP 39 -6.769 8.845 3.375 345 H LEU 40 H LEU 40 -5.061 9.425 1.613 346 HA LEU 40 HA LEU 40 -5.915 9.134 -1.063 347 HB2 LEU 40 HB2 LEU 40 -3.722 10.874 0.127 348 HB3 LEU 40 HB3 LEU 40 -4.260 11.024 -1.540 349 HG LEU 40 HG LEU 40 -6.049 11.472 0.886 350 HD11 LEU 40 HD11 LEU 40 -4.322 13.197 0.799 351 HD12 LEU 40 HD12 LEU 40 -5.896 13.867 0.383 352 HD13 LEU 40 HD13 LEU 40 -4.717 13.540 -0.889 353 HD21 LEU 40 HD21 LEU 40 -6.553 12.023 -2.060 354 HD22 LEU 40 HD22 LEU 40 -7.642 12.432 -0.729 355 HD23 LEU 40 HD23 LEU 40 -7.299 10.744 -1.097 356 H LEU 41 H LEU 41 -2.816 8.410 0.444 357 HA LEU 41 HA LEU 41 -1.250 7.852 -1.835 358 HB2 LEU 41 HB2 LEU 41 -0.347 8.364 0.391 359 HB3 LEU 41 HB3 LEU 41 -1.017 6.874 1.027 360 HG LEU 41 HG LEU 41 0.561 5.569 -0.406 361 HD11 LEU 41 HD11 LEU 41 0.896 7.152 -2.239 362 HD12 LEU 41 HD12 LEU 41 2.438 6.683 -1.530 363 HD13 LEU 41 HD13 LEU 41 1.743 8.263 -1.156 364 HD21 LEU 41 HD21 LEU 41 1.874 7.601 1.431 365 HD22 LEU 41 HD22 LEU 41 2.596 6.076 0.899 366 HD23 LEU 41 HD23 LEU 41 1.153 6.059 1.912 367 H LEU 42 H LEU 42 -2.832 5.545 0.399 368 HA LEU 42 HA LEU 42 -2.129 3.232 -1.141 369 HB2 LEU 42 HB2 LEU 42 -3.888 3.572 1.306 370 HB3 LEU 42 HB3 LEU 42 -3.534 2.009 0.577 371 HG LEU 42 HG LEU 42 -1.514 3.895 1.862 372 HD11 LEU 42 HD11 LEU 42 -2.857 2.685 3.491 373 HD12 LEU 42 HD12 LEU 42 -1.199 2.095 3.499 374 HD13 LEU 42 HD13 LEU 42 -2.470 1.145 2.718 375 HD21 LEU 42 HD21 LEU 42 0.182 2.149 1.420 376 HD22 LEU 42 HD22 LEU 42 -0.467 2.825 -0.070 377 HD23 LEU 42 HD23 LEU 42 -1.002 1.233 0.480 378 H SER 43 H SER 43 -5.164 5.079 -0.751 379 HA SER 43 HA SER 43 -6.893 3.181 -1.983 380 HB2 SER 43 HB2 SER 43 -7.192 6.193 -1.691 381 HB3 SER 43 HB3 SER 43 -8.473 5.134 -2.286 382 HG SER 43 HG SER 43 -7.579 5.558 0.278 383 H GLY 44 H GLY 44 -5.140 5.991 -3.343 384 HA2 GLY 44 HA2 GLY 44 -5.932 5.629 -6.068 385 HA3 GLY 44 HA3 GLY 44 -4.530 6.531 -5.507 386 H PHE 45 H PHE 45 -3.109 4.522 -4.207 387 HA PHE 45 HA PHE 45 -1.681 3.172 -6.234 388 HB2 PHE 45 HB2 PHE 45 -0.848 3.805 -3.917 389 HB3 PHE 45 HB3 PHE 45 -1.776 2.468 -3.262 390 HD1 PHE 45 HD2 PHE 45 -1.065 0.113 -3.735 391 HD2 PHE 45 HD1 PHE 45 1.283 3.439 -5.035 392 HE1 PHE 45 HE2 PHE 45 0.861 -1.373 -4.078 393 HE2 PHE 45 HE1 PHE 45 3.194 1.941 -5.372 394 HZ PHE 45 HZ PHE 45 2.994 -0.458 -4.898 395 H ALA 46 H ALA 46 -4.372 2.178 -4.194 396 HA ALA 46 HA ALA 46 -4.282 -0.612 -4.844 397 HB1 ALA 46 HB1 ALA 46 -5.207 0.208 -2.720 398 HB2 ALA 46 HB2 ALA 46 -6.382 -0.761 -3.609 399 HB3 ALA 46 HB3 ALA 46 -6.522 1.000 -3.592 400 H ALA 47 H ALA 47 -6.193 2.154 -5.987 401 HA ALA 47 HA ALA 47 -7.910 0.736 -7.750 402 HB1 ALA 47 HB1 ALA 47 -8.412 2.946 -8.719 403 HB2 ALA 47 HB2 ALA 47 -7.028 3.641 -7.867 404 HB3 ALA 47 HB3 ALA 47 -8.400 3.009 -6.956 405 H LYS 48 H LYS 48 -4.724 2.210 -8.218 406 HA LYS 48 HA LYS 48 -4.644 1.779 -11.080 407 HB2 LYS 48 HB2 LYS 48 -3.561 3.757 -10.244 408 HB3 LYS 48 HB3 LYS 48 -2.613 2.833 -9.085 409 HG2 LYS 48 HG2 LYS 48 -1.268 1.865 -10.865 410 HG3 LYS 48 HG3 LYS 48 -2.295 2.594 -12.101 411 HD2 LYS 48 HD2 LYS 48 -0.662 4.199 -10.092 412 HD3 LYS 48 HD3 LYS 48 -0.079 3.763 -11.701 413 HE2 LYS 48 HE2 LYS 48 -2.544 5.446 -11.107 414 HE3 LYS 48 HE3 LYS 48 -0.986 6.057 -11.667 415 HZ1 LYS 48 HZ1 LYS 48 -1.259 4.729 -13.691 416 HZ2 LYS 48 HZ2 LYS 48 -2.502 5.858 -13.505 417 HZ3 LYS 48 HZ3 LYS 48 -2.788 4.228 -13.166 418 H TYR 49 H TYR 49 -2.775 0.461 -8.312 419 HA TYR 49 HA TYR 49 -1.242 -1.267 -10.037 420 HB2 TYR 49 HB2 TYR 49 -1.229 -0.857 -7.036 421 HB3 TYR 49 HB3 TYR 49 -0.245 -2.091 -7.818 422 HD1 TYR 49 HD1 TYR 49 -0.904 1.623 -7.929 423 HD2 TYR 49 HD2 TYR 49 1.919 -1.519 -8.611 424 HE1 TYR 49 HE1 TYR 49 0.859 3.286 -8.352 425 HE2 TYR 49 HE2 TYR 49 3.670 0.149 -9.024 426 HH TYR 49 HH TYR 49 3.489 3.284 -8.164 427 H LEU 50 H LEU 50 -3.717 -1.909 -7.442 428 HA LEU 50 HA LEU 50 -3.512 -4.728 -7.625 429 HB2 LEU 50 HB2 LEU 50 -5.640 -2.961 -6.472 430 HB3 LEU 50 HB3 LEU 50 -5.991 -4.665 -6.681 431 HG LEU 50 HG LEU 50 -3.815 -5.101 -5.336 432 HD11 LEU 50 HD11 LEU 50 -2.941 -2.792 -5.436 433 HD12 LEU 50 HD12 LEU 50 -3.115 -3.400 -3.790 434 HD13 LEU 50 HD13 LEU 50 -4.299 -2.265 -4.434 435 HD21 LEU 50 HD21 LEU 50 -6.209 -3.898 -3.931 436 HD22 LEU 50 HD22 LEU 50 -4.999 -4.963 -3.217 437 HD23 LEU 50 HD23 LEU 50 -6.061 -5.569 -4.483 438 H LYS 51 H LYS 51 -5.205 -2.554 -9.717 439 HA LYS 51 HA LYS 51 -6.972 -4.393 -10.949 440 HB2 LYS 51 HB2 LYS 51 -7.130 -1.945 -11.239 441 HB3 LYS 51 HB3 LYS 51 -5.621 -1.944 -12.136 442 HG2 LYS 51 HG2 LYS 51 -7.335 -1.754 -13.764 443 HG3 LYS 51 HG3 LYS 51 -6.771 -3.416 -13.880 444 HD2 LYS 51 HD2 LYS 51 -9.264 -2.640 -12.299 445 HD3 LYS 51 HD3 LYS 51 -9.316 -3.012 -14.018 446 HE2 LYS 51 HE2 LYS 51 -8.389 -5.298 -13.486 447 HE3 LYS 51 HE3 LYS 51 -8.517 -4.902 -11.774 448 HZ1 LYS 51 HZ1 LYS 51 -10.888 -4.623 -12.062 449 HZ2 LYS 51 HZ2 LYS 51 -10.385 -6.171 -12.518 450 HZ3 LYS 51 HZ3 LYS 51 -10.751 -5.023 -13.701 451 H LYS 52 H LYS 52 -3.523 -3.783 -11.439 452 HA LYS 52 HA LYS 52 -3.362 -5.973 -13.455 453 HB2 LYS 52 HB2 LYS 52 -1.489 -3.589 -13.144 454 HB3 LYS 52 HB3 LYS 52 -1.383 -4.841 -14.383 455 HG2 LYS 52 HG2 LYS 52 -3.542 -4.090 -15.333 456 HG3 LYS 52 HG3 LYS 52 -3.668 -2.852 -14.078 457 HD2 LYS 52 HD2 LYS 52 -1.551 -3.018 -16.261 458 HD3 LYS 52 HD3 LYS 52 -2.877 -1.855 -16.170 459 HE2 LYS 52 HE2 LYS 52 -0.528 -2.070 -14.251 460 HE3 LYS 52 HE3 LYS 52 -0.789 -0.803 -15.451 461 HZ1 LYS 52 HZ1 LYS 52 -1.412 -0.088 -13.225 462 HZ2 LYS 52 HZ2 LYS 52 -2.545 -1.336 -13.108 463 HZ3 LYS 52 HZ3 LYS 52 -2.757 -0.107 -14.246 464 H MET 53 H MET 53 -2.948 -5.740 -10.289 465 HA MET 53 HA MET 53 -0.206 -6.551 -9.924 466 HB2 MET 53 HB2 MET 53 -1.355 -5.090 -8.310 467 HB3 MET 53 HB3 MET 53 -2.553 -6.337 -7.994 468 HG2 MET 53 HG2 MET 53 -0.857 -7.752 -7.030 469 HG3 MET 53 HG3 MET 53 0.383 -6.575 -7.432 470 HE1 MET 53 HE1 MET 53 -0.403 -3.639 -4.970 471 HE2 MET 53 HE2 MET 53 -0.915 -3.775 -6.654 472 HE3 MET 53 HE3 MET 53 0.716 -4.264 -6.180 473 H ASN 54 H ASN 54 0.537 -8.607 -9.704 474 HA ASN 54 HA ASN 54 -1.168 -10.856 -10.297 475 HB2 ASN 54 HB2 ASN 54 1.773 -10.765 -9.488 476 HB3 ASN 54 HB3 ASN 54 0.927 -12.209 -10.044 477 HD21 ASN 54 HD21 ASN 54 3.235 -10.926 -11.239 478 HD22 ASN 54 HD22 ASN 54 2.770 -10.508 -12.845 479 H GLU 55 H GLU 55 -1.192 -12.835 -8.989 480 HA GLU 55 HA GLU 55 -2.477 -12.450 -6.531 481 HB2 GLU 55 HB2 GLU 55 -1.218 -15.004 -7.641 482 HB3 GLU 55 HB3 GLU 55 -2.348 -14.947 -6.297 483 HG2 GLU 55 HG2 GLU 55 -3.515 -15.673 -8.267 484 HG3 GLU 55 HG3 GLU 55 -4.098 -14.080 -7.816 485 H GLU 56 H GLU 56 0.834 -13.463 -7.230 486 HA GLU 56 HA GLU 56 1.784 -13.886 -4.598 487 HB2 GLU 56 HB2 GLU 56 4.054 -13.658 -5.642 488 HB3 GLU 56 HB3 GLU 56 2.984 -14.765 -6.501 489 HG2 GLU 56 HG2 GLU 56 2.504 -12.988 -8.179 490 HG3 GLU 56 HG3 GLU 56 3.609 -11.903 -7.333 491 H GLU 57 H GLU 57 1.767 -10.963 -6.623 492 HA GLU 57 HA GLU 57 3.262 -9.261 -4.891 493 HB2 GLU 57 HB2 GLU 57 1.241 -8.519 -7.038 494 HB3 GLU 57 HB3 GLU 57 2.460 -7.440 -6.365 495 HG2 GLU 57 HG2 GLU 57 3.122 -9.977 -7.900 496 HG3 GLU 57 HG3 GLU 57 2.905 -8.408 -8.675 497 H LEU 58 H LEU 58 -0.185 -9.959 -5.216 498 HA LEU 58 HA LEU 58 -1.352 -7.987 -3.600 499 HB2 LEU 58 HB2 LEU 58 -2.189 -10.859 -4.141 500 HB3 LEU 58 HB3 LEU 58 -3.188 -9.753 -3.210 501 HG LEU 58 HG LEU 58 -2.397 -9.329 -6.128 502 HD11 LEU 58 HD11 LEU 58 -4.717 -9.864 -6.673 503 HD12 LEU 58 HD12 LEU 58 -5.061 -10.217 -4.972 504 HD13 LEU 58 HD13 LEU 58 -3.933 -11.232 -5.880 505 HD21 LEU 58 HD21 LEU 58 -4.351 -7.785 -4.387 506 HD22 LEU 58 HD22 LEU 58 -4.059 -7.521 -6.109 507 HD23 LEU 58 HD23 LEU 58 -2.778 -7.210 -4.944 508 H GLU 59 H GLU 59 0.382 -10.903 -2.666 509 HA GLU 59 HA GLU 59 -0.448 -11.027 0.071 510 HB2 GLU 59 HB2 GLU 59 2.006 -12.187 -1.320 511 HB3 GLU 59 HB3 GLU 59 1.510 -12.588 0.325 512 HG2 GLU 59 HG2 GLU 59 -0.172 -13.093 -2.160 513 HG3 GLU 59 HG3 GLU 59 0.864 -14.293 -1.385 514 H GLU 60 H GLU 60 2.298 -9.482 -1.572 515 HA GLU 60 HA GLU 60 3.613 -8.541 0.791 516 HB2 GLU 60 HB2 GLU 60 4.710 -8.782 -1.454 517 HB3 GLU 60 HB3 GLU 60 3.755 -7.428 -2.035 518 HG2 GLU 60 HG2 GLU 60 5.945 -6.613 -1.538 519 HG3 GLU 60 HG3 GLU 60 4.850 -5.975 -0.318 520 H TYR 61 H TYR 61 1.199 -7.153 -1.432 521 HA TYR 61 HA TYR 61 1.003 -4.602 -0.179 522 HB2 TYR 61 HB2 TYR 61 0.191 -5.113 -2.515 523 HB3 TYR 61 HB3 TYR 61 -1.170 -5.982 -1.806 524 HD1 TYR 61 HD2 TYR 61 0.492 -2.638 -1.876 525 HD2 TYR 61 HD1 TYR 61 -3.158 -4.745 -1.147 526 HE1 TYR 61 HE2 TYR 61 -0.684 -0.509 -1.625 527 HE2 TYR 61 HE1 TYR 61 -4.339 -2.602 -0.879 528 HH TYR 61 HH TYR 61 -3.023 0.346 -1.868 529 H ASP 62 H ASP 62 -0.619 -7.680 0.364 530 HA ASP 62 HA ASP 62 -2.606 -6.969 2.205 531 HB2 ASP 62 HB2 ASP 62 -2.079 -9.258 1.052 532 HB3 ASP 62 HB3 ASP 62 -0.944 -9.530 2.365 533 H SER 63 H SER 63 0.817 -7.863 2.709 534 HA SER 63 HA SER 63 1.098 -7.483 5.467 535 HB2 SER 63 HB2 SER 63 3.190 -6.839 3.340 536 HB3 SER 63 HB3 SER 63 3.507 -7.177 5.041 537 HG SER 63 HG SER 63 3.676 -8.912 3.287 538 H LEU 64 H LEU 64 1.353 -5.064 2.842 539 HA LEU 64 HA LEU 64 2.277 -2.867 4.351 540 HB2 LEU 64 HB2 LEU 64 2.347 -3.108 1.844 541 HB3 LEU 64 HB3 LEU 64 0.618 -2.820 1.804 542 HG LEU 64 HG LEU 64 1.000 -0.531 2.742 543 HD11 LEU 64 HD11 LEU 64 3.263 0.434 2.786 544 HD12 LEU 64 HD12 LEU 64 3.949 -1.151 2.413 545 HD13 LEU 64 HD13 LEU 64 3.094 -0.892 3.938 546 HD21 LEU 64 HD21 LEU 64 2.510 -1.077 0.162 547 HD22 LEU 64 HD22 LEU 64 1.909 0.497 0.693 548 HD23 LEU 64 HD23 LEU 64 0.772 -0.795 0.316 549 H LEU 65 H LEU 65 -0.975 -4.094 3.779 550 HA LEU 65 HA LEU 65 -2.403 -1.839 4.856 551 HB2 LEU 65 HB2 LEU 65 -3.318 -4.687 4.357 552 HB3 LEU 65 HB3 LEU 65 -4.385 -3.340 4.757 553 HG LEU 65 HG LEU 65 -2.681 -3.568 2.239 554 HD11 LEU 65 HD11 LEU 65 -4.573 -5.099 2.213 555 HD12 LEU 65 HD12 LEU 65 -4.791 -3.796 1.050 556 HD13 LEU 65 HD13 LEU 65 -5.680 -3.770 2.574 557 HD21 LEU 65 HD21 LEU 65 -3.840 -1.536 1.473 558 HD22 LEU 65 HD22 LEU 65 -2.887 -1.226 2.921 559 HD23 LEU 65 HD23 LEU 65 -4.642 -1.390 3.039 560 H ASN 66 H ASN 66 -0.798 -4.518 6.365 561 HA ASN 66 HA ASN 66 -2.146 -4.142 8.944 562 HB2 ASN 66 HB2 ASN 66 0.250 -5.873 8.164 563 HB3 ASN 66 HB3 ASN 66 -0.454 -5.824 9.780 564 HD21 ASN 66 HD21 ASN 66 -0.885 -6.938 6.517 565 HD22 ASN 66 HD22 ASN 66 -2.240 -7.954 6.830 566 H GLU 67 H GLU 67 0.411 -2.621 7.250 567 HA GLU 67 HA GLU 67 2.081 -1.939 9.527 568 HB2 GLU 67 HB2 GLU 67 2.135 -0.729 6.727 569 HB3 GLU 67 HB3 GLU 67 3.399 -0.599 7.950 570 HG2 GLU 67 HG2 GLU 67 2.534 -3.111 6.489 571 HG3 GLU 67 HG3 GLU 67 4.016 -2.205 6.226 572 H LEU 68 H LEU 68 2.535 0.269 10.215 573 HA LEU 68 HA LEU 68 0.205 1.732 10.913 574 HB2 LEU 68 HB2 LEU 68 2.607 1.449 12.062 575 HB3 LEU 68 HB3 LEU 68 2.977 2.911 11.172 576 HG LEU 68 HG LEU 68 0.735 2.635 13.205 577 HD11 LEU 68 HD11 LEU 68 3.466 3.913 13.556 578 HD12 LEU 68 HD12 LEU 68 2.906 2.416 14.304 579 HD13 LEU 68 HD13 LEU 68 2.155 3.949 14.743 580 HD21 LEU 68 HD21 LEU 68 0.596 5.107 13.159 581 HD22 LEU 68 HD22 LEU 68 0.242 4.417 11.577 582 HD23 LEU 68 HD23 LEU 68 1.816 5.157 11.879 583 H ASP 69 H ASP 69 -0.817 3.277 9.802 584 HA ASP 69 HA ASP 69 -0.426 4.046 7.214 585 HB2 ASP 69 HB2 ASP 69 -1.905 6.100 7.823 586 HB3 ASP 69 HB3 ASP 69 -2.551 4.489 8.100 587 H TRP 70 H TRP 70 0.511 6.193 9.979 588 HA TRP 70 HA TRP 70 1.687 8.263 8.580 589 HB2 TRP 70 HB2 TRP 70 2.231 7.152 11.340 590 HB3 TRP 70 HB3 TRP 70 3.278 8.420 10.715 591 HD1 TRP 70 HD1 TRP 70 0.144 8.034 12.611 592 HE1 TRP 70 HE1 TRP 70 -1.106 10.273 12.739 593 HE3 TRP 70 HE3 TRP 70 2.708 10.619 9.005 594 HZ2 TRP 70 HZ2 TRP 70 -1.033 12.797 11.481 595 HZ3 TRP 70 HZ3 TRP 70 2.043 12.938 8.514 596 HH2 TRP 70 HH2 TRP 70 0.205 14.004 9.727 597 H ASP 71 H ASP 71 3.292 5.261 9.653 598 HA ASP 71 HA ASP 71 5.915 5.817 8.808 599 HB2 ASP 71 HB2 ASP 71 4.416 3.182 9.142 600 HB3 ASP 71 HB3 ASP 71 6.141 3.265 8.775 601 H ILE 72 H ILE 72 3.292 4.093 7.104 602 HA ILE 72 HA ILE 72 4.562 3.446 4.695 603 HB ILE 72 HB ILE 72 1.641 4.239 5.108 604 HG12 ILE 72 HG12 ILE 72 2.855 1.438 5.165 605 HG13 ILE 72 HG13 ILE 72 2.436 2.363 6.601 606 HG21 ILE 72 HG21 ILE 72 2.849 2.594 2.853 607 HG22 ILE 72 HG22 ILE 72 2.199 4.228 2.712 608 HG23 ILE 72 HG23 ILE 72 1.125 2.886 3.103 609 HD11 ILE 72 HD11 ILE 72 0.743 0.709 6.098 610 HD12 ILE 72 HD12 ILE 72 0.504 1.395 4.491 611 HD13 ILE 72 HD13 ILE 72 0.076 2.333 5.926 612 H TYR 73 H TYR 73 2.965 6.462 5.669 613 HA TYR 73 HA TYR 73 3.166 7.818 3.163 614 HB2 TYR 73 HB2 TYR 73 1.503 8.387 4.940 615 HB3 TYR 73 HB3 TYR 73 2.809 8.991 5.953 616 HD1 TYR 73 HD2 TYR 73 1.250 9.484 2.574 617 HD2 TYR 73 HD1 TYR 73 3.396 11.306 5.800 618 HE1 TYR 73 HE2 TYR 73 1.050 11.668 1.476 619 HE2 TYR 73 HE1 TYR 73 3.198 13.495 4.694 620 HH TYR 73 HH TYR 73 1.098 14.070 2.107 621 H TYR 74 H TYR 74 5.159 7.827 6.121 622 HA TYR 74 HA TYR 74 6.972 9.879 5.332 623 HB2 TYR 74 HB2 TYR 74 7.168 7.679 7.419 624 HB3 TYR 74 HB3 TYR 74 8.450 8.860 7.182 625 HD1 TYR 74 HD1 TYR 74 7.119 11.408 6.842 626 HD2 TYR 74 HD2 TYR 74 6.062 8.188 9.445 627 HE1 TYR 74 HE1 TYR 74 6.008 12.994 8.351 628 HE2 TYR 74 HE2 TYR 74 4.943 9.774 10.948 629 HH TYR 74 HH TYR 74 4.996 12.150 11.506 630 H TRP 75 H TRP 75 7.012 6.370 4.886 631 HA TRP 75 HA TRP 75 9.657 6.187 3.815 632 HB2 TRP 75 HB2 TRP 75 7.296 4.313 3.410 633 HB3 TRP 75 HB3 TRP 75 8.975 3.938 3.043 634 HD1 TRP 75 HD1 TRP 75 10.021 5.222 5.984 635 HE1 TRP 75 HE1 TRP 75 9.729 3.720 8.042 636 HE3 TRP 75 HE3 TRP 75 6.434 2.036 4.184 637 HZ2 TRP 75 HZ2 TRP 75 8.202 1.501 8.823 638 HZ3 TRP 75 HZ3 TRP 75 5.606 0.247 5.664 639 HH2 TRP 75 HH2 TRP 75 6.474 -0.015 7.939 640 H ALA 76 H ALA 76 6.431 6.602 2.367 641 HA ALA 76 HA ALA 76 7.191 6.489 -0.375 642 HB1 ALA 76 HB1 ALA 76 4.798 7.855 0.885 643 HB2 ALA 76 HB2 ALA 76 4.878 6.166 0.384 644 HB3 ALA 76 HB3 ALA 76 4.976 7.447 -0.827 645 H THR 77 H THR 77 7.195 9.107 1.969 646 HA THR 77 HA THR 77 7.892 11.150 -0.044 647 HB THR 77 HB THR 77 7.684 12.782 1.830 648 HG1 THR 77 HG1 THR 77 6.623 10.753 3.484 649 HG21 THR 77 HG21 THR 77 5.278 10.929 1.609 650 HG22 THR 77 HG22 THR 77 5.661 12.252 0.502 651 HG23 THR 77 HG23 THR 77 5.249 12.599 2.184 652 H LYS 78 H LYS 78 9.534 8.904 1.745 653 HA LYS 78 HA LYS 78 11.679 8.468 2.261 654 HB2 LYS 78 HB2 LYS 78 11.988 9.538 -0.065 655 HB3 LYS 78 HB3 LYS 78 12.500 10.994 0.779 656 HG2 LYS 78 HG2 LYS 78 14.349 9.657 1.833 657 HG3 LYS 78 HG3 LYS 78 13.860 8.276 0.842 658 HD2 LYS 78 HD2 LYS 78 14.317 9.611 -1.213 659 HD3 LYS 78 HD3 LYS 78 14.822 10.974 -0.206 660 HE2 LYS 78 HE2 LYS 78 16.652 9.542 0.726 661 HE3 LYS 78 HE3 LYS 78 16.172 8.253 -0.381 662 HZ1 LYS 78 HZ1 LYS 78 16.672 9.716 -2.233 663 HZ2 LYS 78 HZ2 LYS 78 18.024 9.529 -1.241 664 HZ3 LYS 78 HZ3 LYS 78 17.122 10.955 -1.171 665 H ASN 79 H ASN 79 10.007 10.559 3.839 666 HA ASN 79 HA ASN 79 12.045 12.030 5.333 667 HB2 ASN 79 HB2 ASN 79 9.890 13.138 4.749 668 HB3 ASN 79 HB3 ASN 79 9.013 11.941 5.691 669 HD21 ASN 79 HD21 ASN 79 9.118 12.048 7.975 670 HD22 ASN 79 HD22 ASN 79 9.667 13.468 8.792 671 H PHE 80 H PHE 80 13.186 10.259 6.262 672 HA PHE 80 HA PHE 80 11.784 8.343 7.998 673 HB2 PHE 80 HB2 PHE 80 14.753 8.471 7.312 674 HB3 PHE 80 HB3 PHE 80 13.910 7.127 8.078 675 HD1 PHE 80 HD1 PHE 80 11.759 6.278 6.622 676 HD2 PHE 80 HD2 PHE 80 15.243 8.184 5.034 677 HE1 PHE 80 HE1 PHE 80 11.315 5.280 4.419 678 HE2 PHE 80 HE2 PHE 80 14.784 7.177 2.838 679 HZ PHE 80 HZ PHE 80 12.819 5.729 2.528 680 H LYS 81 H LYS 81 12.436 11.332 8.628 681 HA LYS 81 HA LYS 81 14.265 11.604 10.704 682 HB2 LYS 81 HB2 LYS 81 13.292 13.509 9.516 683 HB3 LYS 81 HB3 LYS 81 11.688 13.122 10.121 684 HG2 LYS 81 HG2 LYS 81 12.614 15.044 11.303 685 HG3 LYS 81 HG3 LYS 81 12.392 13.683 12.404 686 HD2 LYS 81 HD2 LYS 81 14.852 13.170 12.174 687 HD3 LYS 81 HD3 LYS 81 15.024 14.626 11.188 688 HE2 LYS 81 HE2 LYS 81 14.305 16.012 13.093 689 HE3 LYS 81 HE3 LYS 81 14.066 14.564 14.075 690 HZ1 LYS 81 HZ1 LYS 81 16.150 15.581 14.592 691 HZ2 LYS 81 HZ2 LYS 81 16.642 15.541 12.979 692 HZ3 LYS 81 HZ3 LYS 81 16.443 14.098 13.836 693 H THR 82 H THR 82 10.774 10.853 10.911 694 HA THR 82 HA THR 82 11.030 10.316 13.818 695 HB THR 82 HB THR 82 9.461 12.095 13.386 696 HG1 THR 82 HG1 THR 82 7.938 9.764 14.012 697 HG21 THR 82 HG21 THR 82 7.959 10.178 11.580 698 HG22 THR 82 HG22 THR 82 8.844 11.619 11.071 699 HG23 THR 82 HG23 THR 82 7.396 11.780 12.068 700 H SER 83 H SER 83 10.086 8.883 10.768 701 HA SER 83 HA SER 83 9.693 6.264 12.109 702 HB2 SER 83 HB2 SER 83 8.238 7.303 9.638 703 HB3 SER 83 HB3 SER 83 8.171 5.629 10.194 704 HG SER 83 HG SER 83 6.501 6.392 11.250 705 HA PRO 84 HA PRO 84 13.459 5.629 9.435 706 HB2 PRO 84 HB2 PRO 84 13.771 3.300 11.302 707 HB3 PRO 84 HB3 PRO 84 14.943 4.544 10.848 708 HG2 PRO 84 HG2 PRO 84 13.804 4.555 13.275 709 HG3 PRO 84 HG3 PRO 84 14.128 6.078 12.417 710 HD2 PRO 84 HD2 PRO 84 11.514 4.582 12.704 711 HD3 PRO 84 HD3 PRO 84 11.839 6.326 12.844 712 H LEU 85 H LEU 85 14.073 3.839 8.015 713 HA LEU 85 HA LEU 85 11.780 2.244 7.151 714 HB2 LEU 85 HB2 LEU 85 13.100 3.623 5.525 715 HB3 LEU 85 HB3 LEU 85 14.488 2.586 5.817 716 HG LEU 85 HG LEU 85 13.185 0.632 4.947 717 HD11 LEU 85 HD11 LEU 85 10.917 1.427 5.475 718 HD12 LEU 85 HD12 LEU 85 11.064 0.974 3.783 719 HD13 LEU 85 HD13 LEU 85 11.059 2.680 4.237 720 HD21 LEU 85 HD21 LEU 85 13.249 1.227 2.584 721 HD22 LEU 85 HD22 LEU 85 14.666 1.856 3.428 722 HD23 LEU 85 HD23 LEU 85 13.342 2.943 2.998 723 HA PRO 86 HA PRO 86 13.758 -1.490 8.941 724 HB2 PRO 86 HB2 PRO 86 11.642 -3.166 8.707 725 HB3 PRO 86 HB3 PRO 86 11.670 -1.879 9.922 726 HG2 PRO 86 HG2 PRO 86 10.244 -1.974 7.281 727 HG3 PRO 86 HG3 PRO 86 9.691 -1.307 8.830 728 HD2 PRO 86 HD2 PRO 86 10.768 0.185 6.720 729 HD3 PRO 86 HD3 PRO 86 10.657 0.743 8.396 730 H ASP 87 H ASP 87 14.448 -3.560 8.136 731 HA ASP 87 HA ASP 87 15.437 -3.563 5.504 732 HB2 ASP 87 HB2 ASP 87 15.165 -5.935 7.407 733 HB3 ASP 87 HB3 ASP 87 16.206 -5.886 5.979 734 H LYS 88 H LYS 88 12.545 -5.098 6.806 735 HA LYS 88 HA LYS 88 11.816 -6.821 4.732 736 HB2 LYS 88 HB2 LYS 88 9.455 -6.536 5.580 737 HB3 LYS 88 HB3 LYS 88 10.633 -6.912 6.833 738 HG2 LYS 88 HG2 LYS 88 10.688 -4.532 7.504 739 HG3 LYS 88 HG3 LYS 88 9.508 -4.149 6.250 740 HD2 LYS 88 HD2 LYS 88 9.008 -6.017 8.608 741 HD3 LYS 88 HD3 LYS 88 8.495 -4.331 8.529 742 HE2 LYS 88 HE2 LYS 88 7.093 -4.898 6.533 743 HE3 LYS 88 HE3 LYS 88 7.555 -6.591 6.723 744 HZ1 LYS 88 HZ1 LYS 88 6.538 -6.530 8.943 745 HZ2 LYS 88 HZ2 LYS 88 5.431 -6.201 7.712 746 HZ3 LYS 88 HZ3 LYS 88 6.030 -4.940 8.665 747 H TRP 89 H TRP 89 11.276 -3.290 4.972 748 HA TRP 89 HA TRP 89 9.922 -3.259 2.359 749 HB2 TRP 89 HB2 TRP 89 10.179 -1.090 4.474 750 HB3 TRP 89 HB3 TRP 89 9.380 -0.866 2.917 751 HD1 TRP 89 HD1 TRP 89 8.528 -1.718 6.375 752 HE1 TRP 89 HE1 TRP 89 6.222 -2.841 6.525 753 HE3 TRP 89 HE3 TRP 89 7.814 -2.832 1.426 754 HZ2 TRP 89 HZ2 TRP 89 4.363 -4.079 4.800 755 HZ3 TRP 89 HZ3 TRP 89 5.753 -3.996 0.760 756 HH2 TRP 89 HH2 TRP 89 4.058 -4.605 2.415 757 H ALA 90 H ALA 90 12.937 -2.348 3.854 758 HA ALA 90 HA ALA 90 13.973 -0.554 1.945 759 HB1 ALA 90 HB1 ALA 90 15.023 -0.937 4.138 760 HB2 ALA 90 HB2 ALA 90 16.193 -1.175 2.840 761 HB3 ALA 90 HB3 ALA 90 15.481 -2.572 3.656 762 H ASN 91 H ASN 91 13.995 -4.099 2.039 763 HA ASN 91 HA ASN 91 15.298 -4.271 -0.602 764 HB2 ASN 91 HB2 ASN 91 14.732 -6.442 1.452 765 HB3 ASN 91 HB3 ASN 91 15.660 -6.651 -0.030 766 HD21 ASN 91 HD21 ASN 91 17.069 -4.069 0.211 767 HD22 ASN 91 HD22 ASN 91 18.188 -4.270 1.508 768 H SER 92 H SER 92 12.224 -3.767 0.207 769 HA SER 92 HA SER 92 10.951 -5.892 -1.396 770 HB2 SER 92 HB2 SER 92 8.836 -5.101 -0.622 771 HB3 SER 92 HB3 SER 92 9.894 -4.944 0.776 772 HG SER 92 HG SER 92 10.176 -2.677 -0.103 773 H LYS 93 H LYS 93 10.139 -5.603 -3.417 774 HA LYS 93 HA LYS 93 10.777 -3.331 -5.031 775 HB2 LYS 93 HB2 LYS 93 10.589 -5.684 -5.884 776 HB3 LYS 93 HB3 LYS 93 8.856 -5.632 -5.602 777 HG2 LYS 93 HG2 LYS 93 9.293 -5.311 -7.958 778 HG3 LYS 93 HG3 LYS 93 8.655 -3.805 -7.284 779 HD2 LYS 93 HD2 LYS 93 10.909 -2.837 -7.225 780 HD3 LYS 93 HD3 LYS 93 11.617 -4.366 -7.758 781 HE2 LYS 93 HE2 LYS 93 10.446 -4.162 -9.915 782 HE3 LYS 93 HE3 LYS 93 9.699 -2.656 -9.379 783 HZ1 LYS 93 HZ1 LYS 93 12.589 -3.143 -9.818 784 HZ2 LYS 93 HZ2 LYS 93 11.944 -1.717 -9.185 785 HZ3 LYS 93 HZ3 LYS 93 11.561 -2.186 -10.761 786 H LEU 94 H LEU 94 7.853 -4.382 -3.309 787 HA LEU 94 HA LEU 94 5.882 -2.792 -4.489 788 HB2 LEU 94 HB2 LEU 94 5.379 -4.654 -2.945 789 HB3 LEU 94 HB3 LEU 94 6.057 -3.739 -1.609 790 HG LEU 94 HG LEU 94 4.237 -1.972 -2.046 791 HD11 LEU 94 HD11 LEU 94 3.019 -4.161 -3.743 792 HD12 LEU 94 HD12 LEU 94 3.610 -2.590 -4.304 793 HD13 LEU 94 HD13 LEU 94 2.216 -2.672 -3.229 794 HD21 LEU 94 HD21 LEU 94 3.316 -4.705 -1.131 795 HD22 LEU 94 HD22 LEU 94 2.495 -3.172 -0.819 796 HD23 LEU 94 HD23 LEU 94 4.091 -3.468 -0.137 797 H LEU 95 H LEU 95 7.896 -2.062 -1.616 798 HA LEU 95 HA LEU 95 6.819 0.454 -0.989 799 HB2 LEU 95 HB2 LEU 95 8.332 -0.672 0.559 800 HB3 LEU 95 HB3 LEU 95 9.643 -0.595 -0.611 801 HG LEU 95 HG LEU 95 9.456 1.964 -0.451 802 HD11 LEU 95 HD11 LEU 95 7.209 2.028 0.587 803 HD12 LEU 95 HD12 LEU 95 8.427 3.008 1.395 804 HD13 LEU 95 HD13 LEU 95 7.932 1.457 2.101 805 HD21 LEU 95 HD21 LEU 95 10.375 0.476 2.004 806 HD22 LEU 95 HD22 LEU 95 10.818 2.131 1.565 807 HD23 LEU 95 HD23 LEU 95 11.312 0.784 0.540 808 H LYS 96 H LYS 96 9.438 -0.412 -3.223 809 HA LYS 96 HA LYS 96 10.165 2.270 -3.906 810 HB2 LYS 96 HB2 LYS 96 10.730 -0.339 -5.381 811 HB3 LYS 96 HB3 LYS 96 11.549 1.202 -5.666 812 HG2 LYS 96 HG2 LYS 96 12.381 1.189 -3.325 813 HG3 LYS 96 HG3 LYS 96 11.571 -0.357 -3.054 814 HD2 LYS 96 HD2 LYS 96 13.042 -1.415 -4.747 815 HD3 LYS 96 HD3 LYS 96 13.848 0.136 -5.017 816 HE2 LYS 96 HE2 LYS 96 14.570 0.136 -2.618 817 HE3 LYS 96 HE3 LYS 96 13.827 -1.453 -2.416 818 HZ1 LYS 96 HZ1 LYS 96 16.205 -1.595 -2.789 819 HZ2 LYS 96 HZ2 LYS 96 16.043 -0.810 -4.282 820 HZ3 LYS 96 HZ3 LYS 96 15.352 -2.336 -4.050 821 H GLN 97 H GLN 97 7.782 0.014 -5.223 822 HA GLN 97 HA GLN 97 6.868 1.561 -7.434 823 HB2 GLN 97 HB2 GLN 97 5.283 -0.312 -5.619 824 HB3 GLN 97 HB3 GLN 97 4.718 0.309 -7.165 825 HG2 GLN 97 HG2 GLN 97 7.122 -1.502 -6.792 826 HG3 GLN 97 HG3 GLN 97 5.513 -2.039 -7.266 827 HE21 GLN 97 HE21 GLN 97 8.018 -2.319 -8.707 828 HE22 GLN 97 HE22 GLN 97 7.788 -1.558 -10.239 829 H LEU 98 H LEU 98 6.190 1.700 -3.977 830 HA LEU 98 HA LEU 98 3.933 3.419 -4.011 831 HB2 LEU 98 HB2 LEU 98 4.604 1.864 -2.149 832 HB3 LEU 98 HB3 LEU 98 5.915 2.961 -1.758 833 HG LEU 98 HG LEU 98 4.159 4.752 -1.284 834 HD11 LEU 98 HD11 LEU 98 2.288 3.815 -2.546 835 HD12 LEU 98 HD12 LEU 98 1.855 4.033 -0.853 836 HD13 LEU 98 HD13 LEU 98 2.224 2.417 -1.465 837 HD21 LEU 98 HD21 LEU 98 3.615 3.895 0.946 838 HD22 LEU 98 HD22 LEU 98 5.289 3.537 0.526 839 HD23 LEU 98 HD23 LEU 98 4.068 2.261 0.451 840 H GLN 99 H GLN 99 7.433 4.140 -3.466 841 HA GLN 99 HA GLN 99 7.161 6.943 -3.092 842 HB2 GLN 99 HB2 GLN 99 9.540 5.312 -4.060 843 HB3 GLN 99 HB3 GLN 99 9.622 7.057 -3.902 844 HG2 GLN 99 HG2 GLN 99 10.584 6.234 -1.917 845 HG3 GLN 99 HG3 GLN 99 8.964 6.740 -1.451 846 HE21 GLN 99 HE21 GLN 99 11.039 4.036 -2.118 847 HE22 GLN 99 HE22 GLN 99 10.078 2.859 -1.333 848 H GLU 100 H GLU 100 7.794 5.103 -6.116 849 HA GLU 100 HA GLU 100 7.959 7.444 -7.763 850 HB2 GLU 100 HB2 GLU 100 7.972 5.924 -9.683 851 HB3 GLU 100 HB3 GLU 100 9.085 5.387 -8.431 852 HG2 GLU 100 HG2 GLU 100 7.389 3.709 -7.695 853 HG3 GLU 100 HG3 GLU 100 6.354 4.209 -9.035 854 H PHE 101 H PHE 101 5.260 5.444 -6.696 855 HA PHE 101 HA PHE 101 3.281 6.669 -8.381 856 HB2 PHE 101 HB2 PHE 101 2.798 4.516 -7.289 857 HB3 PHE 101 HB3 PHE 101 2.961 5.255 -5.696 858 HD1 PHE 101 HD2 PHE 101 1.005 5.695 -8.879 859 HD2 PHE 101 HD1 PHE 101 0.975 5.953 -4.607 860 HE1 PHE 101 HE2 PHE 101 -1.358 6.357 -8.929 861 HE2 PHE 101 HE1 PHE 101 -1.390 6.624 -4.675 862 HZ PHE 101 HZ PHE 101 -2.553 6.828 -6.835 863 H SER 102 H SER 102 4.570 7.383 -5.133 864 HA SER 102 HA SER 102 2.850 9.451 -4.334 865 HB2 SER 102 HB2 SER 102 4.498 8.389 -2.819 866 HB3 SER 102 HB3 SER 102 5.822 9.134 -3.714 867 HG SER 102 HG SER 102 5.574 10.671 -2.299 868 H GLU 103 H GLU 103 5.622 9.521 -6.498 869 HA GLU 103 HA GLU 103 5.805 12.310 -6.988 870 HB2 GLU 103 HB2 GLU 103 6.371 10.082 -8.990 871 HB3 GLU 103 HB3 GLU 103 7.068 11.702 -8.973 872 HG2 GLU 103 HG2 GLU 103 7.584 9.483 -6.969 873 HG3 GLU 103 HG3 GLU 103 8.680 10.027 -8.232 874 H ASN 104 H ASN 104 4.027 9.713 -8.652 875 HA ASN 104 HA ASN 104 2.861 11.308 -10.714 876 HB2 ASN 104 HB2 ASN 104 2.262 8.501 -9.743 877 HB3 ASN 104 HB3 ASN 104 1.439 9.222 -11.117 878 HD21 ASN 104 HD21 ASN 104 4.906 9.667 -10.428 879 HD22 ASN 104 HD22 ASN 104 5.438 8.767 -11.790 880 H LYS 105 H LYS 105 1.948 10.793 -7.465 881 HA LYS 105 HA LYS 105 -0.837 11.324 -7.561 882 HB2 LYS 105 HB2 LYS 105 1.210 11.722 -5.369 883 HB3 LYS 105 HB3 LYS 105 -0.507 12.045 -5.130 884 HG2 LYS 105 HG2 LYS 105 -1.017 9.690 -5.673 885 HG3 LYS 105 HG3 LYS 105 0.703 9.369 -5.891 886 HD2 LYS 105 HD2 LYS 105 0.013 8.572 -3.709 887 HD3 LYS 105 HD3 LYS 105 1.092 9.947 -3.499 888 HE2 LYS 105 HE2 LYS 105 -1.928 10.241 -3.406 889 HE3 LYS 105 HE3 LYS 105 -0.984 9.827 -1.979 890 HZ1 LYS 105 HZ1 LYS 105 -0.850 12.310 -3.574 891 HZ2 LYS 105 HZ2 LYS 105 0.303 11.900 -2.412 892 HZ3 LYS 105 HZ3 LYS 105 -1.303 12.133 -1.954 893 H GLU 106 H GLU 106 1.881 13.398 -7.956 894 HA GLU 106 HA GLU 106 0.308 15.863 -7.616 895 HB2 GLU 106 HB2 GLU 106 3.275 15.452 -8.190 896 HB3 GLU 106 HB3 GLU 106 2.497 16.993 -7.812 897 HG2 GLU 106 HG2 GLU 106 1.899 16.137 -5.567 898 HG3 GLU 106 HG3 GLU 106 2.672 14.594 -5.951 899 H LYS 107 H LYS 107 0.125 13.815 -9.928 900 HA LYS 107 HA LYS 107 -0.411 13.758 -12.107 901 HB2 LYS 107 HB2 LYS 107 -1.949 15.520 -10.968 902 HB3 LYS 107 HB3 LYS 107 -1.017 16.717 -11.861 903 HG2 LYS 107 HG2 LYS 107 -1.705 15.677 -13.983 904 HG3 LYS 107 HG3 LYS 107 -2.591 14.434 -13.090 905 HD2 LYS 107 HD2 LYS 107 -4.167 16.119 -13.860 906 HD3 LYS 107 HD3 LYS 107 -4.031 16.208 -12.101 907 HE2 LYS 107 HE2 LYS 107 -2.482 18.156 -12.349 908 HE3 LYS 107 HE3 LYS 107 -2.688 18.077 -14.099 909 HZ1 LYS 107 HZ1 LYS 107 -4.878 18.531 -12.161 910 HZ2 LYS 107 HZ2 LYS 107 -4.996 18.593 -13.845 911 HZ3 LYS 107 HZ3 LYS 107 -4.082 19.748 -13.013 912 H GLU 108 H GLU 108 2.303 13.928 -11.901 913 HA GLU 108 HA GLU 108 3.371 16.048 -13.620 914 HB2 GLU 108 HB2 GLU 108 5.583 15.133 -12.997 915 HB3 GLU 108 HB3 GLU 108 4.591 15.465 -11.578 916 HG2 GLU 108 HG2 GLU 108 4.094 13.113 -11.278 917 HG3 GLU 108 HG3 GLU 108 4.862 12.705 -12.815 918 H ILE 109 H ILE 109 1.709 13.691 -14.646 919 HA ILE 109 HA ILE 109 1.580 12.091 -16.229 920 HB ILE 109 HB ILE 109 3.645 13.835 -17.651 921 HG12 ILE 109 HG12 ILE 109 1.503 14.580 -18.959 922 HG13 ILE 109 HG13 ILE 109 0.593 13.887 -17.631 923 HG21 ILE 109 HG21 ILE 109 2.857 12.774 -19.761 924 HG22 ILE 109 HG22 ILE 109 1.842 11.675 -18.824 925 HG23 ILE 109 HG23 ILE 109 3.599 11.600 -18.671 926 HD11 ILE 109 HD11 ILE 109 2.565 16.162 -17.439 927 HD12 ILE 109 HD12 ILE 109 1.620 15.491 -16.106 928 HD13 ILE 109 HD13 ILE 109 0.806 16.290 -17.450 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -30.360 5.985 3.133 2 H2 MET 1 H2 MET 1 -29.491 4.587 2.756 3 H3 MET 1 H3 MET 1 -30.809 4.504 3.810 4 HA MET 1 HA MET 1 -32.326 5.097 2.072 5 HB2 MET 1 HB2 MET 1 -29.831 5.136 0.322 6 HB3 MET 1 HB3 MET 1 -31.473 5.159 -0.310 7 HG2 MET 1 HG2 MET 1 -31.880 7.308 0.820 8 HG3 MET 1 HG3 MET 1 -30.233 7.284 1.453 9 HE1 MET 1 HE1 MET 1 -31.424 6.145 -2.170 10 HE2 MET 1 HE2 MET 1 -31.227 7.656 -3.059 11 HE3 MET 1 HE3 MET 1 -32.458 7.528 -1.804 12 H GLY 2 H GLY 2 -33.449 3.252 1.915 13 HA2 GLY 2 HA2 GLY 2 -34.074 1.195 1.068 14 HA3 GLY 2 HA3 GLY 2 -32.472 0.989 0.385 15 H HIS 3 H HIS 3 -33.807 -1.124 1.495 16 HA HIS 3 HA HIS 3 -32.893 -1.619 4.196 17 HB2 HIS 3 HB2 HIS 3 -33.892 -3.852 3.948 18 HB3 HIS 3 HB3 HIS 3 -35.019 -2.604 3.460 19 HD1 HIS 3 HD1 HIS 3 -33.829 -5.810 2.440 20 HD2 HIS 3 HD2 HIS 3 -35.056 -2.391 0.428 21 HE1 HIS 3 HE1 HIS 3 -34.384 -6.567 0.115 22 HE2 HIS 3 HE2 HIS 3 -34.912 -4.453 -1.129 23 H HIS 4 H HIS 4 -30.695 -1.494 4.238 24 HA HIS 4 HA HIS 4 -29.149 -3.636 2.881 25 HB2 HIS 4 HB2 HIS 4 -27.224 -2.115 2.675 26 HB3 HIS 4 HB3 HIS 4 -28.623 -1.410 1.877 27 HD1 HIS 4 HD1 HIS 4 -26.391 -0.968 4.868 28 HD2 HIS 4 HD2 HIS 4 -29.505 1.024 2.966 29 HE1 HIS 4 HE1 HIS 4 -26.457 1.318 5.901 30 HE2 HIS 4 HE2 HIS 4 -28.452 2.434 4.865 31 H HIS 5 H HIS 5 -30.441 -3.701 5.487 32 HA HIS 5 HA HIS 5 -28.806 -3.149 7.704 33 HB2 HIS 5 HB2 HIS 5 -30.864 -5.384 7.426 34 HB3 HIS 5 HB3 HIS 5 -30.238 -4.757 8.946 35 HD1 HIS 5 HD1 HIS 5 -31.033 -2.345 9.646 36 HD2 HIS 5 HD2 HIS 5 -32.935 -3.891 6.287 37 HE1 HIS 5 HE1 HIS 5 -33.056 -0.905 9.301 38 HE2 HIS 5 HE2 HIS 5 -34.142 -1.801 7.222 39 H HIS 6 H HIS 6 -29.114 -6.174 5.846 40 HA HIS 6 HA HIS 6 -27.788 -7.949 5.450 41 HB2 HIS 6 HB2 HIS 6 -25.554 -6.001 6.126 42 HB3 HIS 6 HB3 HIS 6 -25.305 -7.567 5.363 43 HD1 HIS 6 HD1 HIS 6 -24.848 -4.494 4.257 44 HD2 HIS 6 HD2 HIS 6 -27.658 -7.299 3.036 45 HE1 HIS 6 HE1 HIS 6 -25.430 -3.870 1.895 46 HE2 HIS 6 HE2 HIS 6 -26.964 -5.705 1.125 47 H HIS 7 H HIS 7 -28.641 -9.184 7.205 48 HA HIS 7 HA HIS 7 -26.975 -9.528 9.608 49 HB2 HIS 7 HB2 HIS 7 -29.571 -10.891 8.743 50 HB3 HIS 7 HB3 HIS 7 -28.741 -11.204 10.265 51 HD1 HIS 7 HD1 HIS 7 -28.804 -9.315 12.063 52 HD2 HIS 7 HD2 HIS 7 -31.073 -8.523 8.671 53 HE1 HIS 7 HE1 HIS 7 -30.259 -7.367 12.667 54 HE2 HIS 7 HE2 HIS 7 -31.763 -7.042 10.679 55 H HIS 8 H HIS 8 -25.306 -10.927 9.603 56 HA HIS 8 HA HIS 8 -24.552 -12.452 7.337 57 HB2 HIS 8 HB2 HIS 8 -23.458 -12.601 10.173 58 HB3 HIS 8 HB3 HIS 8 -22.662 -13.227 8.732 59 HD1 HIS 8 HD1 HIS 8 -23.081 -10.176 10.737 60 HD2 HIS 8 HD2 HIS 8 -21.729 -11.146 6.927 61 HE1 HIS 8 HE1 HIS 8 -21.837 -8.155 9.933 62 HE2 HIS 8 HE2 HIS 8 -20.924 -8.807 7.683 63 H SER 9 H SER 9 -25.939 -14.074 6.765 64 HA SER 9 HA SER 9 -27.184 -15.973 8.452 65 HB2 SER 9 HB2 SER 9 -27.922 -15.489 6.104 66 HB3 SER 9 HB3 SER 9 -26.468 -16.285 5.500 67 HG SER 9 HG SER 9 -27.999 -17.843 5.476 68 H HIS 10 H HIS 10 -26.456 -17.843 9.349 69 HA HIS 10 HA HIS 10 -23.570 -18.296 9.359 70 HB2 HIS 10 HB2 HIS 10 -25.820 -19.435 11.065 71 HB3 HIS 10 HB3 HIS 10 -24.118 -19.825 11.302 72 HD1 HIS 10 HD1 HIS 10 -22.647 -18.072 12.448 73 HD2 HIS 10 HD2 HIS 10 -26.542 -16.773 11.827 74 HE1 HIS 10 HE1 HIS 10 -22.861 -15.953 13.764 75 HE2 HIS 10 HE2 HIS 10 -25.232 -15.208 13.423 76 H MET 11 H MET 11 -25.006 -19.141 6.964 77 HA MET 11 HA MET 11 -24.951 -22.044 6.844 78 HB2 MET 11 HB2 MET 11 -25.261 -19.943 4.644 79 HB3 MET 11 HB3 MET 11 -25.527 -21.671 4.452 80 HG2 MET 11 HG2 MET 11 -27.474 -21.615 5.836 81 HG3 MET 11 HG3 MET 11 -27.116 -19.976 6.383 82 HE1 MET 11 HE1 MET 11 -28.370 -20.909 2.019 83 HE2 MET 11 HE2 MET 11 -28.196 -22.167 3.240 84 HE3 MET 11 HE3 MET 11 -26.773 -21.294 2.666 85 H ILE 12 H ILE 12 -23.377 -23.311 5.759 86 HA ILE 12 HA ILE 12 -20.681 -22.355 5.692 87 HB ILE 12 HB ILE 12 -21.775 -24.964 4.534 88 HG12 ILE 12 HG12 ILE 12 -20.588 -24.453 7.305 89 HG13 ILE 12 HG13 ILE 12 -22.300 -24.680 6.974 90 HG21 ILE 12 HG21 ILE 12 -18.919 -24.245 5.316 91 HG22 ILE 12 HG22 ILE 12 -19.519 -24.452 3.669 92 HG23 ILE 12 HG23 ILE 12 -19.463 -25.833 4.766 93 HD11 ILE 12 HD11 ILE 12 -20.129 -26.747 6.587 94 HD12 ILE 12 HD12 ILE 12 -21.845 -26.983 6.242 95 HD13 ILE 12 HD13 ILE 12 -21.309 -26.692 7.896 96 H LYS 13 H LYS 13 -20.678 -20.594 4.263 97 HA LYS 13 HA LYS 13 -20.471 -21.237 1.385 98 HB2 LYS 13 HB2 LYS 13 -22.053 -18.960 2.646 99 HB3 LYS 13 HB3 LYS 13 -21.491 -18.869 0.983 100 HG2 LYS 13 HG2 LYS 13 -23.335 -21.034 2.063 101 HG3 LYS 13 HG3 LYS 13 -23.866 -19.591 1.188 102 HD2 LYS 13 HD2 LYS 13 -22.557 -20.315 -0.798 103 HD3 LYS 13 HD3 LYS 13 -22.024 -21.755 0.076 104 HE2 LYS 13 HE2 LYS 13 -24.924 -21.111 -0.581 105 HE3 LYS 13 HE3 LYS 13 -23.899 -22.199 -1.516 106 HZ1 LYS 13 HZ1 LYS 13 -25.275 -23.443 -0.006 107 HZ2 LYS 13 HZ2 LYS 13 -24.711 -22.556 1.315 108 HZ3 LYS 13 HZ3 LYS 13 -23.661 -23.581 0.478 109 H ARG 14 H ARG 14 -18.866 -20.197 4.041 110 HA ARG 14 HA ARG 14 -17.290 -17.996 2.912 111 HB2 ARG 14 HB2 ARG 14 -16.849 -19.535 5.512 112 HB3 ARG 14 HB3 ARG 14 -16.173 -17.961 5.093 113 HG2 ARG 14 HG2 ARG 14 -18.314 -16.882 5.315 114 HG3 ARG 14 HG3 ARG 14 -19.160 -18.433 5.386 115 HD2 ARG 14 HD2 ARG 14 -17.247 -17.344 7.486 116 HD3 ARG 14 HD3 ARG 14 -19.008 -17.440 7.623 117 HE ARG 14 HE ARG 14 -18.027 -20.016 7.086 118 HH11 ARG 14 HH11 ARG 14 -17.996 -17.755 9.691 119 HH12 ARG 14 HH12 ARG 14 -17.782 -18.983 10.884 120 HH21 ARG 14 HH21 ARG 14 -17.742 -21.558 8.629 121 HH22 ARG 14 HH22 ARG 14 -17.644 -21.104 10.292 122 H THR 15 H THR 15 -17.283 -21.297 2.588 123 HA THR 15 HA THR 15 -14.503 -22.005 2.842 124 HB THR 15 HB THR 15 -16.249 -23.653 3.308 125 HG1 THR 15 HG1 THR 15 -15.214 -24.821 1.001 126 HG21 THR 15 HG21 THR 15 -17.996 -22.901 1.730 127 HG22 THR 15 HG22 THR 15 -17.680 -24.629 1.540 128 HG23 THR 15 HG23 THR 15 -17.028 -23.478 0.371 129 H ASN 16 H ASN 16 -15.735 -20.042 0.578 130 HA ASN 16 HA ASN 16 -14.501 -21.233 -1.808 131 HB2 ASN 16 HB2 ASN 16 -16.185 -18.703 -1.512 132 HB3 ASN 16 HB3 ASN 16 -15.608 -19.372 -3.035 133 HD21 ASN 16 HD21 ASN 16 -17.690 -19.625 -3.839 134 HD22 ASN 16 HD22 ASN 16 -18.777 -20.831 -3.260 135 H GLU 17 H GLU 17 -14.582 -17.821 -0.699 136 HA GLU 17 HA GLU 17 -13.169 -16.096 -0.968 137 HB2 GLU 17 HB2 GLU 17 -12.235 -17.013 1.091 138 HB3 GLU 17 HB3 GLU 17 -11.200 -18.105 0.184 139 HG2 GLU 17 HG2 GLU 17 -9.919 -16.222 1.098 140 HG3 GLU 17 HG3 GLU 17 -9.888 -16.224 -0.664 141 HA PRO 18 HA PRO 18 -11.260 -17.007 -5.122 142 HB2 PRO 18 HB2 PRO 18 -12.456 -14.934 -6.433 143 HB3 PRO 18 HB3 PRO 18 -13.251 -16.497 -6.214 144 HG2 PRO 18 HG2 PRO 18 -13.586 -13.969 -4.595 145 HG3 PRO 18 HG3 PRO 18 -14.841 -15.047 -5.248 146 HD2 PRO 18 HD2 PRO 18 -14.032 -15.196 -2.654 147 HD3 PRO 18 HD3 PRO 18 -14.537 -16.640 -3.560 148 H LEU 19 H LEU 19 -9.886 -15.549 -6.401 149 HA LEU 19 HA LEU 19 -8.025 -14.127 -4.808 150 HB2 LEU 19 HB2 LEU 19 -7.913 -15.400 -7.223 151 HB3 LEU 19 HB3 LEU 19 -7.998 -13.751 -7.797 152 HG LEU 19 HG LEU 19 -5.678 -14.631 -7.669 153 HD11 LEU 19 HD11 LEU 19 -6.000 -12.217 -7.504 154 HD12 LEU 19 HD12 LEU 19 -4.605 -12.749 -6.565 155 HD13 LEU 19 HD13 LEU 19 -6.118 -12.340 -5.744 156 HD21 LEU 19 HD21 LEU 19 -5.970 -16.124 -5.732 157 HD22 LEU 19 HD22 LEU 19 -6.075 -14.723 -4.662 158 HD23 LEU 19 HD23 LEU 19 -4.577 -15.059 -5.537 159 H ASP 20 H ASP 20 -10.647 -13.080 -6.921 160 HA ASP 20 HA ASP 20 -10.150 -10.287 -6.896 161 HB2 ASP 20 HB2 ASP 20 -12.659 -11.909 -7.440 162 HB3 ASP 20 HB3 ASP 20 -12.616 -10.153 -7.597 163 H LYS 21 H LYS 21 -11.858 -12.373 -4.564 164 HA LYS 21 HA LYS 21 -12.949 -10.255 -2.994 165 HB2 LYS 21 HB2 LYS 21 -12.525 -13.176 -2.544 166 HB3 LYS 21 HB3 LYS 21 -12.586 -12.191 -1.086 167 HG2 LYS 21 HG2 LYS 21 -14.766 -11.215 -2.009 168 HG3 LYS 21 HG3 LYS 21 -14.736 -12.528 -3.191 169 HD2 LYS 21 HD2 LYS 21 -14.883 -14.201 -1.451 170 HD3 LYS 21 HD3 LYS 21 -14.600 -12.998 -0.186 171 HE2 LYS 21 HE2 LYS 21 -17.041 -13.117 -1.988 172 HE3 LYS 21 HE3 LYS 21 -16.979 -13.635 -0.302 173 HZ1 LYS 21 HZ1 LYS 21 -16.417 -11.343 0.309 174 HZ2 LYS 21 HZ2 LYS 21 -17.914 -11.440 -0.470 175 HZ3 LYS 21 HZ3 LYS 21 -16.563 -10.871 -1.309 176 H LYS 22 H LYS 22 -9.805 -11.992 -2.803 177 HA LYS 22 HA LYS 22 -8.686 -10.571 -0.653 178 HB2 LYS 22 HB2 LYS 22 -7.537 -12.526 -1.604 179 HB3 LYS 22 HB3 LYS 22 -7.260 -11.667 -3.121 180 HG2 LYS 22 HG2 LYS 22 -5.787 -10.052 -1.961 181 HG3 LYS 22 HG3 LYS 22 -6.094 -10.858 -0.430 182 HD2 LYS 22 HD2 LYS 22 -3.925 -11.540 -1.239 183 HD3 LYS 22 HD3 LYS 22 -5.012 -12.924 -1.343 184 HE2 LYS 22 HE2 LYS 22 -5.265 -12.559 -3.755 185 HE3 LYS 22 HE3 LYS 22 -4.242 -11.123 -3.662 186 HZ1 LYS 22 HZ1 LYS 22 -3.012 -13.039 -4.446 187 HZ2 LYS 22 HZ2 LYS 22 -3.397 -13.907 -3.050 188 HZ3 LYS 22 HZ3 LYS 22 -2.408 -12.539 -2.948 189 H ARG 23 H ARG 23 -8.450 -9.825 -4.159 190 HA ARG 23 HA ARG 23 -7.013 -7.445 -4.078 191 HB2 ARG 23 HB2 ARG 23 -7.388 -8.556 -6.179 192 HB3 ARG 23 HB3 ARG 23 -9.137 -8.425 -6.022 193 HG2 ARG 23 HG2 ARG 23 -9.011 -5.988 -6.342 194 HG3 ARG 23 HG3 ARG 23 -7.249 -6.070 -6.426 195 HD2 ARG 23 HD2 ARG 23 -9.102 -7.486 -8.379 196 HD3 ARG 23 HD3 ARG 23 -8.426 -5.879 -8.656 197 HE ARG 23 HE ARG 23 -6.193 -7.176 -8.281 198 HH11 ARG 23 HH11 ARG 23 -8.920 -8.382 -10.039 199 HH12 ARG 23 HH12 ARG 23 -7.933 -9.241 -11.159 200 HH21 ARG 23 HH21 ARG 23 -4.970 -8.259 -9.741 201 HH22 ARG 23 HH22 ARG 23 -5.727 -9.178 -10.993 202 H ALA 24 H ALA 24 -10.586 -7.753 -4.131 203 HA ALA 24 HA ALA 24 -11.236 -5.025 -3.927 204 HB1 ALA 24 HB1 ALA 24 -13.480 -5.787 -3.261 205 HB2 ALA 24 HB2 ALA 24 -12.848 -7.410 -2.958 206 HB3 ALA 24 HB3 ALA 24 -12.853 -6.755 -4.596 207 H ARG 25 H ARG 25 -10.694 -7.458 -1.398 208 HA ARG 25 HA ARG 25 -11.369 -5.824 0.841 209 HB2 ARG 25 HB2 ARG 25 -11.423 -8.287 0.881 210 HB3 ARG 25 HB3 ARG 25 -9.677 -8.348 0.687 211 HG2 ARG 25 HG2 ARG 25 -9.326 -7.419 2.901 212 HG3 ARG 25 HG3 ARG 25 -11.052 -7.087 3.091 213 HD2 ARG 25 HD2 ARG 25 -10.312 -9.122 4.331 214 HD3 ARG 25 HD3 ARG 25 -11.562 -9.472 3.132 215 HE ARG 25 HE ARG 25 -8.679 -10.083 2.841 216 HH11 ARG 25 HH11 ARG 25 -11.951 -10.760 1.884 217 HH12 ARG 25 HH12 ARG 25 -11.494 -12.171 0.993 218 HH21 ARG 25 HH21 ARG 25 -8.155 -11.852 1.651 219 HH22 ARG 25 HH22 ARG 25 -9.388 -12.751 0.842 220 H LEU 26 H LEU 26 -8.316 -6.342 -0.909 221 HA LEU 26 HA LEU 26 -6.630 -4.948 0.941 222 HB2 LEU 26 HB2 LEU 26 -6.259 -5.394 -2.041 223 HB3 LEU 26 HB3 LEU 26 -5.026 -4.779 -0.955 224 HG LEU 26 HG LEU 26 -6.226 -7.575 -0.845 225 HD11 LEU 26 HD11 LEU 26 -4.775 -7.264 -2.786 226 HD12 LEU 26 HD12 LEU 26 -4.042 -8.348 -1.607 227 HD13 LEU 26 HD13 LEU 26 -3.475 -6.679 -1.741 228 HD21 LEU 26 HD21 LEU 26 -4.495 -8.025 0.857 229 HD22 LEU 26 HD22 LEU 26 -5.644 -6.803 1.392 230 HD23 LEU 26 HD23 LEU 26 -4.039 -6.315 0.838 231 H ILE 27 H ILE 27 -8.292 -3.950 -2.069 232 HA ILE 27 HA ILE 27 -7.683 -1.206 -2.025 233 HB ILE 27 HB ILE 27 -10.231 -2.517 -3.091 234 HG12 ILE 27 HG12 ILE 27 -7.650 -1.844 -4.577 235 HG13 ILE 27 HG13 ILE 27 -8.138 -3.459 -4.091 236 HG21 ILE 27 HG21 ILE 27 -9.045 0.204 -3.779 237 HG22 ILE 27 HG22 ILE 27 -10.519 -0.075 -2.849 238 HG23 ILE 27 HG23 ILE 27 -10.457 -0.523 -4.553 239 HD11 ILE 27 HD11 ILE 27 -10.065 -3.320 -5.609 240 HD12 ILE 27 HD12 ILE 27 -8.526 -3.110 -6.444 241 HD13 ILE 27 HD13 ILE 27 -9.540 -1.707 -6.107 242 H TYR 28 H TYR 28 -10.151 -3.039 -0.265 243 HA TYR 28 HA TYR 28 -11.584 -0.884 0.906 244 HB2 TYR 28 HB2 TYR 28 -12.443 -3.188 0.872 245 HB3 TYR 28 HB3 TYR 28 -11.128 -3.732 1.900 246 HD1 TYR 28 HD1 TYR 28 -11.085 -3.041 4.343 247 HD2 TYR 28 HD2 TYR 28 -14.437 -2.140 1.828 248 HE1 TYR 28 HE1 TYR 28 -12.452 -2.625 6.327 249 HE2 TYR 28 HE2 TYR 28 -15.808 -1.736 3.837 250 HH TYR 28 HH TYR 28 -15.750 -2.535 6.303 251 H GLN 29 H GLN 29 -8.886 -2.873 2.188 252 HA GLN 29 HA GLN 29 -8.581 -1.522 4.678 253 HB2 GLN 29 HB2 GLN 29 -6.624 -3.266 3.138 254 HB3 GLN 29 HB3 GLN 29 -6.400 -2.763 4.809 255 HG2 GLN 29 HG2 GLN 29 -8.300 -4.077 5.524 256 HG3 GLN 29 HG3 GLN 29 -8.735 -4.450 3.858 257 HE21 GLN 29 HE21 GLN 29 -7.422 -5.954 2.691 258 HE22 GLN 29 HE22 GLN 29 -6.345 -7.036 3.496 259 H SER 30 H SER 30 -7.501 -0.687 1.506 260 HA SER 30 HA SER 30 -5.263 0.986 2.304 261 HB2 SER 30 HB2 SER 30 -5.047 1.475 -0.060 262 HB3 SER 30 HB3 SER 30 -5.350 -0.249 0.118 263 HG SER 30 HG SER 30 -6.665 1.449 -1.351 264 H ARG 31 H ARG 31 -8.535 1.530 0.981 265 HA ARG 31 HA ARG 31 -8.494 4.401 1.428 266 HB2 ARG 31 HB2 ARG 31 -10.805 4.354 0.598 267 HB3 ARG 31 HB3 ARG 31 -9.742 3.434 -0.463 268 HG2 ARG 31 HG2 ARG 31 -10.555 1.331 0.736 269 HG3 ARG 31 HG3 ARG 31 -11.770 2.344 1.516 270 HD2 ARG 31 HD2 ARG 31 -12.730 2.931 -0.658 271 HD3 ARG 31 HD3 ARG 31 -11.456 2.037 -1.491 272 HE ARG 31 HE ARG 31 -12.401 -0.005 -0.721 273 HH11 ARG 31 HH11 ARG 31 -14.406 2.716 0.065 274 HH12 ARG 31 HH12 ARG 31 -15.835 1.756 0.156 275 HH21 ARG 31 HH21 ARG 31 -14.229 -1.192 -0.570 276 HH22 ARG 31 HH22 ARG 31 -15.736 -0.438 -0.207 277 H LYS 32 H LYS 32 -8.821 1.838 3.549 278 HA LYS 32 HA LYS 32 -10.191 3.576 5.533 279 HB2 LYS 32 HB2 LYS 32 -11.048 1.154 4.936 280 HB3 LYS 32 HB3 LYS 32 -9.688 0.604 5.908 281 HG2 LYS 32 HG2 LYS 32 -10.606 1.909 7.844 282 HG3 LYS 32 HG3 LYS 32 -11.986 2.359 6.833 283 HD2 LYS 32 HD2 LYS 32 -12.445 -0.113 6.535 284 HD3 LYS 32 HD3 LYS 32 -11.211 -0.422 7.758 285 HE2 LYS 32 HE2 LYS 32 -13.825 1.079 8.127 286 HE3 LYS 32 HE3 LYS 32 -13.391 -0.483 8.821 287 HZ1 LYS 32 HZ1 LYS 32 -13.169 1.225 10.467 288 HZ2 LYS 32 HZ2 LYS 32 -12.167 2.145 9.468 289 HZ3 LYS 32 HZ3 LYS 32 -11.627 0.662 10.074 290 H ARG 33 H ARG 33 -8.577 4.712 6.578 291 HA ARG 33 HA ARG 33 -6.249 3.294 7.764 292 HB2 ARG 33 HB2 ARG 33 -6.193 5.994 6.324 293 HB3 ARG 33 HB3 ARG 33 -4.877 5.403 7.325 294 HG2 ARG 33 HG2 ARG 33 -5.833 4.035 4.787 295 HG3 ARG 33 HG3 ARG 33 -4.518 5.207 4.844 296 HD2 ARG 33 HD2 ARG 33 -3.380 3.163 4.883 297 HD3 ARG 33 HD3 ARG 33 -3.453 3.580 6.595 298 HE ARG 33 HE ARG 33 -5.591 1.886 5.598 299 HH11 ARG 33 HH11 ARG 33 -2.512 1.889 7.219 300 HH12 ARG 33 HH12 ARG 33 -2.734 0.285 7.811 301 HH21 ARG 33 HH21 ARG 33 -5.820 -0.112 6.386 302 HH22 ARG 33 HH22 ARG 33 -4.583 -0.815 7.373 303 H GLY 34 H GLY 34 -5.124 5.153 9.308 304 HA2 GLY 34 HA2 GLY 34 -7.150 6.216 11.133 305 HA3 GLY 34 HA3 GLY 34 -5.406 6.256 11.345 306 H ILE 35 H ILE 35 -5.018 7.401 8.588 307 HA ILE 35 HA ILE 35 -5.947 10.186 9.027 308 HB ILE 35 HB ILE 35 -3.764 11.009 8.137 309 HG12 ILE 35 HG12 ILE 35 -2.824 8.114 8.393 310 HG13 ILE 35 HG13 ILE 35 -3.097 8.953 6.872 311 HG21 ILE 35 HG21 ILE 35 -4.140 10.942 10.562 312 HG22 ILE 35 HG22 ILE 35 -2.445 10.642 10.182 313 HG23 ILE 35 HG23 ILE 35 -3.495 9.298 10.634 314 HD11 ILE 35 HD11 ILE 35 -1.022 9.657 8.934 315 HD12 ILE 35 HD12 ILE 35 -1.284 10.496 7.402 316 HD13 ILE 35 HD13 ILE 35 -0.750 8.816 7.411 317 H LEU 36 H LEU 36 -6.556 11.355 7.248 318 HA LEU 36 HA LEU 36 -7.376 9.991 4.888 319 HB2 LEU 36 HB2 LEU 36 -8.335 12.143 6.142 320 HB3 LEU 36 HB3 LEU 36 -7.302 13.015 5.035 321 HG LEU 36 HG LEU 36 -9.727 12.854 4.346 322 HD11 LEU 36 HD11 LEU 36 -9.379 12.378 1.984 323 HD12 LEU 36 HD12 LEU 36 -7.821 11.629 2.348 324 HD13 LEU 36 HD13 LEU 36 -8.065 13.350 2.648 325 HD21 LEU 36 HD21 LEU 36 -10.191 10.577 5.136 326 HD22 LEU 36 HD22 LEU 36 -9.151 9.912 3.873 327 HD23 LEU 36 HD23 LEU 36 -10.630 10.773 3.440 328 H GLU 37 H GLU 37 -4.465 11.645 5.723 329 HA GLU 37 HA GLU 37 -3.452 12.418 3.200 330 HB2 GLU 37 HB2 GLU 37 -2.003 11.592 5.755 331 HB3 GLU 37 HB3 GLU 37 -1.161 12.205 4.337 332 HG2 GLU 37 HG2 GLU 37 -1.419 13.976 5.971 333 HG3 GLU 37 HG3 GLU 37 -2.366 14.343 4.532 334 H THR 38 H THR 38 -2.846 9.432 5.066 335 HA THR 38 HA THR 38 -1.519 8.081 2.906 336 HB THR 38 HB THR 38 -2.579 6.872 5.490 337 HG1 THR 38 HG1 THR 38 0.065 7.155 5.455 338 HG21 THR 38 HG21 THR 38 -0.477 5.840 3.538 339 HG22 THR 38 HG22 THR 38 -2.069 5.123 3.808 340 HG23 THR 38 HG23 THR 38 -0.867 5.114 5.100 341 H ASP 39 H ASP 39 -4.925 8.166 4.052 342 HA ASP 39 HA ASP 39 -6.018 6.147 2.454 343 HB2 ASP 39 HB2 ASP 39 -7.159 8.859 3.211 344 HB3 ASP 39 HB3 ASP 39 -8.086 7.703 2.261 345 H LEU 40 H LEU 40 -5.221 9.530 1.456 346 HA LEU 40 HA LEU 40 -6.047 9.361 -1.254 347 HB2 LEU 40 HB2 LEU 40 -3.777 11.005 -0.058 348 HB3 LEU 40 HB3 LEU 40 -4.450 11.250 -1.664 349 HG LEU 40 HG LEU 40 -5.905 11.684 0.975 350 HD11 LEU 40 HD11 LEU 40 -4.246 13.419 0.484 351 HD12 LEU 40 HD12 LEU 40 -5.886 14.050 0.376 352 HD13 LEU 40 HD13 LEU 40 -4.982 13.695 -1.099 353 HD21 LEU 40 HD21 LEU 40 -7.775 12.557 -0.374 354 HD22 LEU 40 HD22 LEU 40 -7.479 10.854 -0.705 355 HD23 LEU 40 HD23 LEU 40 -6.938 12.079 -1.855 356 H LEU 41 H LEU 41 -2.966 8.546 0.281 357 HA LEU 41 HA LEU 41 -1.442 7.990 -2.050 358 HB2 LEU 41 HB2 LEU 41 -0.378 8.480 0.080 359 HB3 LEU 41 HB3 LEU 41 -1.142 7.091 0.833 360 HG LEU 41 HG LEU 41 0.246 5.571 -0.598 361 HD11 LEU 41 HD11 LEU 41 2.173 6.457 -1.842 362 HD12 LEU 41 HD12 LEU 41 1.618 8.105 -1.541 363 HD13 LEU 41 HD13 LEU 41 0.640 7.007 -2.519 364 HD21 LEU 41 HD21 LEU 41 1.869 7.528 1.067 365 HD22 LEU 41 HD22 LEU 41 2.358 5.891 0.612 366 HD23 LEU 41 HD23 LEU 41 0.978 6.131 1.681 367 H LEU 42 H LEU 42 -2.933 5.690 0.267 368 HA LEU 42 HA LEU 42 -2.222 3.404 -1.310 369 HB2 LEU 42 HB2 LEU 42 -3.801 3.675 1.266 370 HB3 LEU 42 HB3 LEU 42 -3.476 2.128 0.497 371 HG LEU 42 HG LEU 42 -1.388 4.034 1.625 372 HD11 LEU 42 HD11 LEU 42 -0.958 2.243 3.251 373 HD12 LEU 42 HD12 LEU 42 -2.277 1.286 2.571 374 HD13 LEU 42 HD13 LEU 42 -2.614 2.831 3.357 375 HD21 LEU 42 HD21 LEU 42 -0.980 1.361 0.229 376 HD22 LEU 42 HD22 LEU 42 0.273 2.285 1.067 377 HD23 LEU 42 HD23 LEU 42 -0.492 2.950 -0.372 378 H SER 43 H SER 43 -5.305 5.170 -0.831 379 HA SER 43 HA SER 43 -6.986 3.175 -2.042 380 HB2 SER 43 HB2 SER 43 -7.973 4.965 -0.669 381 HB3 SER 43 HB3 SER 43 -7.461 6.182 -1.835 382 HG SER 43 HG SER 43 -9.556 5.737 -2.309 383 H GLY 44 H GLY 44 -5.432 6.119 -3.370 384 HA2 GLY 44 HA2 GLY 44 -6.149 5.804 -6.085 385 HA3 GLY 44 HA3 GLY 44 -4.737 6.665 -5.489 386 H PHE 45 H PHE 45 -3.329 4.643 -4.256 387 HA PHE 45 HA PHE 45 -1.926 3.297 -6.298 388 HB2 PHE 45 HB2 PHE 45 -1.058 3.881 -3.997 389 HB3 PHE 45 HB3 PHE 45 -2.035 2.585 -3.329 390 HD1 PHE 45 HD2 PHE 45 -1.384 0.206 -3.706 391 HD2 PHE 45 HD1 PHE 45 1.007 3.413 -5.210 392 HE1 PHE 45 HE2 PHE 45 0.491 -1.348 -4.053 393 HE2 PHE 45 HE1 PHE 45 2.867 1.853 -5.549 394 HZ PHE 45 HZ PHE 45 2.618 -0.524 -4.975 395 H ALA 46 H ALA 46 -4.639 2.302 -4.289 396 HA ALA 46 HA ALA 46 -4.467 -0.499 -4.842 397 HB1 ALA 46 HB1 ALA 46 -5.457 0.378 -2.779 398 HB2 ALA 46 HB2 ALA 46 -6.580 -0.668 -3.646 399 HB3 ALA 46 HB3 ALA 46 -6.782 1.086 -3.707 400 H ALA 47 H ALA 47 -6.612 2.087 -6.020 401 HA ALA 47 HA ALA 47 -8.119 0.397 -7.794 402 HB1 ALA 47 HB1 ALA 47 -9.134 2.502 -8.567 403 HB2 ALA 47 HB2 ALA 47 -7.907 3.424 -7.686 404 HB3 ALA 47 HB3 ALA 47 -9.066 2.430 -6.804 405 H LYS 48 H LYS 48 -5.082 2.034 -8.079 406 HA LYS 48 HA LYS 48 -5.029 2.010 -11.018 407 HB2 LYS 48 HB2 LYS 48 -4.142 3.911 -9.606 408 HB3 LYS 48 HB3 LYS 48 -2.851 2.841 -9.072 409 HG2 LYS 48 HG2 LYS 48 -2.000 2.672 -11.364 410 HG3 LYS 48 HG3 LYS 48 -3.356 3.643 -11.959 411 HD2 LYS 48 HD2 LYS 48 -2.547 5.520 -10.459 412 HD3 LYS 48 HD3 LYS 48 -1.116 4.546 -10.111 413 HE2 LYS 48 HE2 LYS 48 -1.946 5.424 -12.893 414 HE3 LYS 48 HE3 LYS 48 -0.776 6.281 -11.885 415 HZ1 LYS 48 HZ1 LYS 48 0.287 4.801 -13.493 416 HZ2 LYS 48 HZ2 LYS 48 -0.498 3.471 -12.808 417 HZ3 LYS 48 HZ3 LYS 48 0.636 4.337 -11.904 418 H TYR 49 H TYR 49 -3.023 0.645 -8.367 419 HA TYR 49 HA TYR 49 -1.401 -0.913 -10.180 420 HB2 TYR 49 HB2 TYR 49 -1.310 -0.464 -7.182 421 HB3 TYR 49 HB3 TYR 49 -0.283 -1.668 -7.954 422 HD1 TYR 49 HD1 TYR 49 -1.168 1.994 -8.259 423 HD2 TYR 49 HD2 TYR 49 1.835 -1.023 -8.701 424 HE1 TYR 49 HE1 TYR 49 0.505 3.726 -8.761 425 HE2 TYR 49 HE2 TYR 49 3.499 0.711 -9.208 426 HH TYR 49 HH TYR 49 3.639 2.977 -9.969 427 H LEU 50 H LEU 50 -3.861 -1.780 -7.662 428 HA LEU 50 HA LEU 50 -3.318 -4.585 -7.769 429 HB2 LEU 50 HB2 LEU 50 -5.701 -3.030 -6.785 430 HB3 LEU 50 HB3 LEU 50 -5.825 -4.775 -6.942 431 HG LEU 50 HG LEU 50 -3.746 -4.939 -5.461 432 HD11 LEU 50 HD11 LEU 50 -3.188 -3.118 -4.004 433 HD12 LEU 50 HD12 LEU 50 -4.379 -2.081 -4.782 434 HD13 LEU 50 HD13 LEU 50 -2.961 -2.625 -5.683 435 HD21 LEU 50 HD21 LEU 50 -5.990 -5.471 -4.665 436 HD22 LEU 50 HD22 LEU 50 -6.240 -3.781 -4.217 437 HD23 LEU 50 HD23 LEU 50 -5.001 -4.738 -3.407 438 H LYS 51 H LYS 51 -5.093 -2.569 -9.922 439 HA LYS 51 HA LYS 51 -6.609 -4.537 -11.311 440 HB2 LYS 51 HB2 LYS 51 -5.732 -1.702 -11.888 441 HB3 LYS 51 HB3 LYS 51 -6.388 -2.655 -13.209 442 HG2 LYS 51 HG2 LYS 51 -8.059 -1.177 -12.085 443 HG3 LYS 51 HG3 LYS 51 -8.517 -2.880 -12.120 444 HD2 LYS 51 HD2 LYS 51 -7.903 -3.125 -9.752 445 HD3 LYS 51 HD3 LYS 51 -7.305 -1.462 -9.704 446 HE2 LYS 51 HE2 LYS 51 -9.561 -1.673 -8.693 447 HE3 LYS 51 HE3 LYS 51 -9.565 -0.603 -10.093 448 HZ1 LYS 51 HZ1 LYS 51 -10.445 -2.443 -11.424 449 HZ2 LYS 51 HZ2 LYS 51 -11.470 -2.056 -10.138 450 HZ3 LYS 51 HZ3 LYS 51 -10.492 -3.432 -10.053 451 H LYS 52 H LYS 52 -3.247 -3.377 -11.677 452 HA LYS 52 HA LYS 52 -2.778 -5.188 -13.950 453 HB2 LYS 52 HB2 LYS 52 -0.582 -4.100 -14.146 454 HB3 LYS 52 HB3 LYS 52 -1.901 -2.939 -14.200 455 HG2 LYS 52 HG2 LYS 52 -1.461 -2.244 -11.920 456 HG3 LYS 52 HG3 LYS 52 -0.234 -3.494 -11.721 457 HD2 LYS 52 HD2 LYS 52 0.044 -1.398 -13.882 458 HD3 LYS 52 HD3 LYS 52 0.490 -1.021 -12.219 459 HE2 LYS 52 HE2 LYS 52 2.467 -1.690 -13.499 460 HE3 LYS 52 HE3 LYS 52 2.135 -2.878 -12.244 461 HZ1 LYS 52 HZ1 LYS 52 1.224 -4.350 -13.878 462 HZ2 LYS 52 HZ2 LYS 52 2.751 -3.851 -14.395 463 HZ3 LYS 52 HZ3 LYS 52 1.368 -3.185 -15.097 464 H MET 53 H MET 53 -2.243 -5.138 -10.509 465 HA MET 53 HA MET 53 0.112 -6.833 -10.561 466 HB2 MET 53 HB2 MET 53 -1.488 -5.653 -8.269 467 HB3 MET 53 HB3 MET 53 -0.255 -6.875 -7.982 468 HG2 MET 53 HG2 MET 53 1.362 -5.342 -9.229 469 HG3 MET 53 HG3 MET 53 0.127 -4.090 -9.094 470 HE1 MET 53 HE1 MET 53 -0.727 -3.158 -6.654 471 HE2 MET 53 HE2 MET 53 -0.093 -3.776 -5.128 472 HE3 MET 53 HE3 MET 53 -1.080 -4.816 -6.156 473 H ASN 54 H ASN 54 0.329 -8.884 -9.859 474 HA ASN 54 HA ASN 54 -2.025 -10.621 -10.231 475 HB2 ASN 54 HB2 ASN 54 0.231 -10.633 -11.683 476 HB3 ASN 54 HB3 ASN 54 0.841 -11.618 -10.361 477 HD21 ASN 54 HD21 ASN 54 1.034 -13.429 -11.715 478 HD22 ASN 54 HD22 ASN 54 -0.341 -14.306 -12.271 479 H GLU 55 H GLU 55 -1.305 -12.966 -9.076 480 HA GLU 55 HA GLU 55 -2.294 -12.752 -6.511 481 HB2 GLU 55 HB2 GLU 55 -0.542 -14.993 -7.626 482 HB3 GLU 55 HB3 GLU 55 -1.425 -15.108 -6.112 483 HG2 GLU 55 HG2 GLU 55 -2.645 -16.305 -7.784 484 HG3 GLU 55 HG3 GLU 55 -3.555 -14.864 -7.357 485 H GLU 56 H GLU 56 1.141 -13.056 -7.396 486 HA GLU 56 HA GLU 56 2.227 -13.320 -4.785 487 HB2 GLU 56 HB2 GLU 56 3.661 -12.215 -7.233 488 HB3 GLU 56 HB3 GLU 56 4.399 -12.986 -5.833 489 HG2 GLU 56 HG2 GLU 56 2.670 -14.327 -7.939 490 HG3 GLU 56 HG3 GLU 56 4.414 -14.477 -7.766 491 H GLU 57 H GLU 57 1.890 -10.495 -6.904 492 HA GLU 57 HA GLU 57 3.249 -8.614 -5.240 493 HB2 GLU 57 HB2 GLU 57 1.266 -8.149 -7.504 494 HB3 GLU 57 HB3 GLU 57 2.381 -6.946 -6.856 495 HG2 GLU 57 HG2 GLU 57 4.295 -8.231 -7.664 496 HG3 GLU 57 HG3 GLU 57 3.233 -9.528 -8.207 497 H LEU 58 H LEU 58 -0.193 -9.389 -5.706 498 HA LEU 58 HA LEU 58 -1.381 -7.475 -4.036 499 HB2 LEU 58 HB2 LEU 58 -2.331 -10.311 -4.574 500 HB3 LEU 58 HB3 LEU 58 -3.311 -9.032 -3.870 501 HG LEU 58 HG LEU 58 -2.289 -9.210 -6.726 502 HD11 LEU 58 HD11 LEU 58 -4.685 -9.134 -7.296 503 HD12 LEU 58 HD12 LEU 58 -5.093 -9.101 -5.575 504 HD13 LEU 58 HD13 LEU 58 -4.292 -10.512 -6.267 505 HD21 LEU 58 HD21 LEU 58 -3.361 -7.029 -7.145 506 HD22 LEU 58 HD22 LEU 58 -2.008 -6.895 -6.026 507 HD23 LEU 58 HD23 LEU 58 -3.665 -6.848 -5.414 508 H GLU 59 H GLU 59 -0.230 -10.778 -3.117 509 HA GLU 59 HA GLU 59 -1.183 -10.605 -0.417 510 HB2 GLU 59 HB2 GLU 59 0.100 -12.672 -0.007 511 HB3 GLU 59 HB3 GLU 59 -0.874 -12.776 -1.464 512 HG2 GLU 59 HG2 GLU 59 1.184 -12.303 -2.810 513 HG3 GLU 59 HG3 GLU 59 2.126 -12.355 -1.320 514 H GLU 60 H GLU 60 1.867 -9.687 -1.947 515 HA GLU 60 HA GLU 60 3.317 -9.015 0.424 516 HB2 GLU 60 HB2 GLU 60 4.415 -9.275 -1.787 517 HB3 GLU 60 HB3 GLU 60 3.550 -7.870 -2.401 518 HG2 GLU 60 HG2 GLU 60 4.771 -6.397 -0.894 519 HG3 GLU 60 HG3 GLU 60 5.550 -7.776 -0.113 520 H TYR 61 H TYR 61 1.016 -7.224 -1.636 521 HA TYR 61 HA TYR 61 1.197 -4.679 -0.439 522 HB2 TYR 61 HB2 TYR 61 0.093 -5.081 -2.628 523 HB3 TYR 61 HB3 TYR 61 -1.242 -5.877 -1.800 524 HD1 TYR 61 HD2 TYR 61 0.656 -2.650 -1.435 525 HD2 TYR 61 HD1 TYR 61 -3.187 -4.505 -1.608 526 HE1 TYR 61 HE2 TYR 61 -0.397 -0.465 -1.170 527 HE2 TYR 61 HE1 TYR 61 -4.249 -2.305 -1.324 528 HH TYR 61 HH TYR 61 -3.513 -0.019 -0.321 529 H ASP 62 H ASP 62 -0.710 -7.489 0.476 530 HA ASP 62 HA ASP 62 -2.466 -6.407 2.348 531 HB2 ASP 62 HB2 ASP 62 -2.543 -8.753 1.542 532 HB3 ASP 62 HB3 ASP 62 -1.072 -9.118 2.440 533 H SER 63 H SER 63 0.870 -7.538 2.856 534 HA SER 63 HA SER 63 1.146 -7.216 5.613 535 HB2 SER 63 HB2 SER 63 3.281 -6.813 3.481 536 HB3 SER 63 HB3 SER 63 3.593 -7.103 5.195 537 HG SER 63 HG SER 63 2.255 -9.114 4.757 538 H LEU 64 H LEU 64 1.495 -4.785 3.047 539 HA LEU 64 HA LEU 64 2.602 -2.674 4.608 540 HB2 LEU 64 HB2 LEU 64 2.734 -2.843 2.122 541 HB3 LEU 64 HB3 LEU 64 1.011 -2.534 2.022 542 HG LEU 64 HG LEU 64 1.420 -0.261 3.049 543 HD11 LEU 64 HD11 LEU 64 4.356 -0.934 2.670 544 HD12 LEU 64 HD12 LEU 64 3.522 -0.697 4.210 545 HD13 LEU 64 HD13 LEU 64 3.704 0.654 3.094 546 HD21 LEU 64 HD21 LEU 64 2.874 -0.796 0.435 547 HD22 LEU 64 HD22 LEU 64 2.296 0.777 0.996 548 HD23 LEU 64 HD23 LEU 64 1.143 -0.502 0.626 549 H LEU 65 H LEU 65 -0.697 -3.655 3.876 550 HA LEU 65 HA LEU 65 -2.046 -1.332 4.876 551 HB2 LEU 65 HB2 LEU 65 -3.095 -4.156 4.461 552 HB3 LEU 65 HB3 LEU 65 -4.083 -2.707 4.644 553 HG LEU 65 HG LEU 65 -2.146 -3.205 2.342 554 HD11 LEU 65 HD11 LEU 65 -4.045 -4.739 2.247 555 HD12 LEU 65 HD12 LEU 65 -4.086 -3.562 0.940 556 HD13 LEU 65 HD13 LEU 65 -5.164 -3.374 2.325 557 HD21 LEU 65 HD21 LEU 65 -4.156 -0.969 2.757 558 HD22 LEU 65 HD22 LEU 65 -3.207 -1.240 1.293 559 HD23 LEU 65 HD23 LEU 65 -2.396 -0.822 2.799 560 H ASN 66 H ASN 66 -0.795 -4.226 6.402 561 HA ASN 66 HA ASN 66 -2.148 -3.821 8.943 562 HB2 ASN 66 HB2 ASN 66 0.211 -5.610 8.211 563 HB3 ASN 66 HB3 ASN 66 -0.596 -5.614 9.777 564 HD21 ASN 66 HD21 ASN 66 -0.766 -6.651 6.494 565 HD22 ASN 66 HD22 ASN 66 -2.209 -7.583 6.633 566 H GLU 67 H GLU 67 0.511 -2.314 7.427 567 HA GLU 67 HA GLU 67 2.056 -1.688 9.805 568 HB2 GLU 67 HB2 GLU 67 2.228 -0.491 7.001 569 HB3 GLU 67 HB3 GLU 67 3.405 -0.261 8.290 570 HG2 GLU 67 HG2 GLU 67 2.760 -2.891 6.918 571 HG3 GLU 67 HG3 GLU 67 4.169 -1.885 6.602 572 H LEU 68 H LEU 68 2.487 0.543 10.467 573 HA LEU 68 HA LEU 68 0.164 2.028 11.123 574 HB2 LEU 68 HB2 LEU 68 2.520 1.732 12.301 575 HB3 LEU 68 HB3 LEU 68 2.997 3.103 11.321 576 HG LEU 68 HG LEU 68 0.708 3.141 13.315 577 HD11 LEU 68 HD11 LEU 68 2.797 2.758 14.511 578 HD12 LEU 68 HD12 LEU 68 2.216 4.391 14.827 579 HD13 LEU 68 HD13 LEU 68 3.552 4.133 13.697 580 HD21 LEU 68 HD21 LEU 68 2.091 5.455 11.906 581 HD22 LEU 68 HD22 LEU 68 0.842 5.608 13.146 582 HD23 LEU 68 HD23 LEU 68 0.454 4.875 11.592 583 H ASP 69 H ASP 69 -0.857 3.578 9.913 584 HA ASP 69 HA ASP 69 -0.350 4.114 7.259 585 HB2 ASP 69 HB2 ASP 69 -1.911 6.197 7.621 586 HB3 ASP 69 HB3 ASP 69 -2.539 4.575 7.879 587 H TRP 70 H TRP 70 0.559 6.344 9.942 588 HA TRP 70 HA TRP 70 1.830 8.326 8.451 589 HB2 TRP 70 HB2 TRP 70 2.385 7.326 11.266 590 HB3 TRP 70 HB3 TRP 70 3.326 8.638 10.564 591 HD1 TRP 70 HD1 TRP 70 0.189 8.075 12.481 592 HE1 TRP 70 HE1 TRP 70 -1.191 10.241 12.572 593 HE3 TRP 70 HE3 TRP 70 2.658 10.775 8.897 594 HZ2 TRP 70 HZ2 TRP 70 -1.242 12.760 11.295 595 HZ3 TRP 70 HZ3 TRP 70 1.875 13.054 8.383 596 HH2 TRP 70 HH2 TRP 70 -0.036 14.025 9.558 597 H ASP 71 H ASP 71 3.297 5.297 9.718 598 HA ASP 71 HA ASP 71 5.941 5.704 8.831 599 HB2 ASP 71 HB2 ASP 71 4.365 3.153 9.373 600 HB3 ASP 71 HB3 ASP 71 6.074 3.141 8.951 601 H ILE 72 H ILE 72 3.239 3.987 7.246 602 HA ILE 72 HA ILE 72 4.362 3.146 4.843 603 HB ILE 72 HB ILE 72 1.568 4.322 5.262 604 HG12 ILE 72 HG12 ILE 72 2.410 1.390 5.367 605 HG13 ILE 72 HG13 ILE 72 2.144 2.394 6.787 606 HG21 ILE 72 HG21 ILE 72 2.524 2.496 3.021 607 HG22 ILE 72 HG22 ILE 72 2.075 4.195 2.859 608 HG23 ILE 72 HG23 ILE 72 0.853 3.000 3.291 609 HD11 ILE 72 HD11 ILE 72 0.240 0.970 6.361 610 HD12 ILE 72 HD12 ILE 72 0.062 1.634 4.738 611 HD13 ILE 72 HD13 ILE 72 -0.215 2.662 6.148 612 H TYR 73 H TYR 73 3.069 6.339 5.677 613 HA TYR 73 HA TYR 73 3.314 7.517 3.084 614 HB2 TYR 73 HB2 TYR 73 1.718 8.180 5.008 615 HB3 TYR 73 HB3 TYR 73 3.086 9.024 5.725 616 HD1 TYR 73 HD2 TYR 73 0.931 8.861 2.679 617 HD2 TYR 73 HD1 TYR 73 3.658 11.249 4.958 618 HE1 TYR 73 HE2 TYR 73 0.412 10.799 1.265 619 HE2 TYR 73 HE1 TYR 73 3.138 13.187 3.539 620 HH TYR 73 HH TYR 73 0.516 13.202 1.313 621 H TYR 74 H TYR 74 5.406 7.503 5.985 622 HA TYR 74 HA TYR 74 7.311 9.425 4.936 623 HB2 TYR 74 HB2 TYR 74 7.421 7.619 7.381 624 HB3 TYR 74 HB3 TYR 74 8.676 8.787 6.978 625 HD1 TYR 74 HD1 TYR 74 7.444 11.245 6.316 626 HD2 TYR 74 HD2 TYR 74 6.078 8.373 9.169 627 HE1 TYR 74 HE1 TYR 74 6.257 13.017 7.533 628 HE2 TYR 74 HE2 TYR 74 4.879 10.144 10.372 629 HH TYR 74 HH TYR 74 4.386 13.266 9.090 630 H TRP 75 H TRP 75 7.001 5.941 4.771 631 HA TRP 75 HA TRP 75 9.699 5.454 3.810 632 HB2 TRP 75 HB2 TRP 75 7.218 3.701 3.562 633 HB3 TRP 75 HB3 TRP 75 8.870 3.193 3.236 634 HD1 TRP 75 HD1 TRP 75 9.930 4.686 6.100 635 HE1 TRP 75 HE1 TRP 75 9.530 3.348 8.253 636 HE3 TRP 75 HE3 TRP 75 6.304 1.477 4.424 637 HZ2 TRP 75 HZ2 TRP 75 7.924 1.215 9.137 638 HZ3 TRP 75 HZ3 TRP 75 5.391 -0.190 5.993 639 HH2 TRP 75 HH2 TRP 75 6.187 -0.317 8.302 640 H ALA 76 H ALA 76 6.471 5.915 2.402 641 HA ALA 76 HA ALA 76 7.065 5.616 -0.341 642 HB1 ALA 76 HB1 ALA 76 4.773 5.717 0.567 643 HB2 ALA 76 HB2 ALA 76 4.993 6.887 -0.734 644 HB3 ALA 76 HB3 ALA 76 4.988 7.425 0.952 645 H THR 77 H THR 77 7.464 8.355 1.842 646 HA THR 77 HA THR 77 8.669 10.037 -0.295 647 HB THR 77 HB THR 77 8.417 11.922 1.283 648 HG1 THR 77 HG1 THR 77 6.939 10.384 3.104 649 HG21 THR 77 HG21 THR 77 5.954 12.063 1.391 650 HG22 THR 77 HG22 THR 77 5.830 10.330 1.084 651 HG23 THR 77 HG23 THR 77 6.469 11.405 -0.165 652 H LYS 78 H LYS 78 10.426 11.605 1.063 653 HA LYS 78 HA LYS 78 12.369 9.794 2.365 654 HB2 LYS 78 HB2 LYS 78 13.217 10.736 0.230 655 HB3 LYS 78 HB3 LYS 78 12.918 12.369 0.816 656 HG2 LYS 78 HG2 LYS 78 14.591 11.998 2.634 657 HG3 LYS 78 HG3 LYS 78 14.917 10.392 1.985 658 HD2 LYS 78 HD2 LYS 78 15.292 12.903 0.307 659 HD3 LYS 78 HD3 LYS 78 16.558 12.313 1.381 660 HE2 LYS 78 HE2 LYS 78 17.008 11.521 -0.863 661 HE3 LYS 78 HE3 LYS 78 16.545 10.138 0.122 662 HZ1 LYS 78 HZ1 LYS 78 15.537 10.163 -2.098 663 HZ2 LYS 78 HZ2 LYS 78 14.714 11.584 -1.708 664 HZ3 LYS 78 HZ3 LYS 78 14.386 10.157 -0.863 665 H ASN 79 H ASN 79 11.494 10.055 4.414 666 HA ASN 79 HA ASN 79 12.284 12.593 5.752 667 HB2 ASN 79 HB2 ASN 79 9.809 12.327 5.717 668 HB3 ASN 79 HB3 ASN 79 9.955 10.773 6.522 669 HD21 ASN 79 HD21 ASN 79 8.686 13.447 7.234 670 HD22 ASN 79 HD22 ASN 79 9.236 13.756 8.839 671 H PHE 80 H PHE 80 11.290 9.382 6.958 672 HA PHE 80 HA PHE 80 12.280 7.701 8.057 673 HB2 PHE 80 HB2 PHE 80 14.931 8.770 7.028 674 HB3 PHE 80 HB3 PHE 80 14.645 7.152 7.660 675 HD1 PHE 80 HD1 PHE 80 12.660 5.826 6.408 676 HD2 PHE 80 HD2 PHE 80 14.923 9.022 4.676 677 HE1 PHE 80 HE1 PHE 80 12.070 5.034 4.155 678 HE2 PHE 80 HE2 PHE 80 14.328 8.216 2.429 679 HZ PHE 80 HZ PHE 80 12.897 6.229 2.167 680 H LYS 81 H LYS 81 12.723 10.812 9.098 681 HA LYS 81 HA LYS 81 14.465 10.381 11.373 682 HB2 LYS 81 HB2 LYS 81 12.548 12.675 10.755 683 HB3 LYS 81 HB3 LYS 81 13.807 12.698 11.990 684 HG2 LYS 81 HG2 LYS 81 15.545 12.600 10.264 685 HG3 LYS 81 HG3 LYS 81 14.321 12.455 8.998 686 HD2 LYS 81 HD2 LYS 81 14.736 14.855 10.828 687 HD3 LYS 81 HD3 LYS 81 15.199 14.754 9.130 688 HE2 LYS 81 HE2 LYS 81 12.794 14.525 8.510 689 HE3 LYS 81 HE3 LYS 81 12.355 14.666 10.213 690 HZ1 LYS 81 HZ1 LYS 81 12.099 16.749 9.080 691 HZ2 LYS 81 HZ2 LYS 81 13.712 16.733 8.583 692 HZ3 LYS 81 HZ3 LYS 81 13.336 16.879 10.225 693 H THR 82 H THR 82 11.022 11.214 11.002 694 HA THR 82 HA THR 82 10.154 10.655 13.664 695 HB THR 82 HB THR 82 7.874 10.889 12.763 696 HG1 THR 82 HG1 THR 82 7.680 9.881 10.882 697 HG21 THR 82 HG21 THR 82 8.009 13.039 11.556 698 HG22 THR 82 HG22 THR 82 9.732 12.778 11.282 699 HG23 THR 82 HG23 THR 82 9.128 13.019 12.925 700 H SER 83 H SER 83 10.205 8.811 10.669 701 HA SER 83 HA SER 83 9.621 6.256 11.999 702 HB2 SER 83 HB2 SER 83 7.982 7.505 9.762 703 HB3 SER 83 HB3 SER 83 7.969 5.754 10.058 704 HG SER 83 HG SER 83 6.728 6.078 11.726 705 HA PRO 84 HA PRO 84 13.117 5.773 8.981 706 HB2 PRO 84 HB2 PRO 84 14.483 3.874 10.387 707 HB3 PRO 84 HB3 PRO 84 14.581 5.598 10.779 708 HG2 PRO 84 HG2 PRO 84 12.858 3.466 12.060 709 HG3 PRO 84 HG3 PRO 84 13.878 4.691 12.849 710 HD2 PRO 84 HD2 PRO 84 11.200 5.037 12.570 711 HD3 PRO 84 HD3 PRO 84 12.329 6.408 12.479 712 H LEU 85 H LEU 85 13.825 3.939 7.673 713 HA LEU 85 HA LEU 85 11.606 2.177 7.018 714 HB2 LEU 85 HB2 LEU 85 12.814 3.423 5.235 715 HB3 LEU 85 HB3 LEU 85 14.287 2.550 5.628 716 HG LEU 85 HG LEU 85 13.182 0.407 4.963 717 HD11 LEU 85 HD11 LEU 85 10.859 0.978 5.431 718 HD12 LEU 85 HD12 LEU 85 11.036 0.439 3.766 719 HD13 LEU 85 HD13 LEU 85 10.855 2.159 4.118 720 HD21 LEU 85 HD21 LEU 85 13.125 2.519 2.782 721 HD22 LEU 85 HD22 LEU 85 13.198 0.769 2.537 722 HD23 LEU 85 HD23 LEU 85 14.545 1.607 3.310 723 HA PRO 86 HA PRO 86 13.685 -1.375 9.087 724 HB2 PRO 86 HB2 PRO 86 11.265 -2.875 8.212 725 HB3 PRO 86 HB3 PRO 86 11.881 -2.599 9.846 726 HG2 PRO 86 HG2 PRO 86 9.636 -1.388 8.977 727 HG3 PRO 86 HG3 PRO 86 10.770 -0.556 10.067 728 HD2 PRO 86 HD2 PRO 86 10.521 -0.311 7.054 729 HD3 PRO 86 HD3 PRO 86 10.623 0.980 8.278 730 H ASP 87 H ASP 87 14.605 -3.321 8.334 731 HA ASP 87 HA ASP 87 15.669 -3.319 5.738 732 HB2 ASP 87 HB2 ASP 87 15.550 -5.690 7.654 733 HB3 ASP 87 HB3 ASP 87 16.709 -5.454 6.345 734 H LYS 88 H LYS 88 12.942 -5.089 7.064 735 HA LYS 88 HA LYS 88 12.398 -6.982 5.099 736 HB2 LYS 88 HB2 LYS 88 10.039 -6.904 5.973 737 HB3 LYS 88 HB3 LYS 88 11.271 -7.043 7.223 738 HG2 LYS 88 HG2 LYS 88 11.077 -4.579 7.637 739 HG3 LYS 88 HG3 LYS 88 9.757 -4.514 6.470 740 HD2 LYS 88 HD2 LYS 88 9.748 -6.183 9.017 741 HD3 LYS 88 HD3 LYS 88 8.989 -4.598 8.858 742 HE2 LYS 88 HE2 LYS 88 7.438 -5.485 7.171 743 HE3 LYS 88 HE3 LYS 88 8.248 -7.054 7.221 744 HZ1 LYS 88 HZ1 LYS 88 6.256 -7.088 8.520 745 HZ2 LYS 88 HZ2 LYS 88 6.778 -5.781 9.455 746 HZ3 LYS 88 HZ3 LYS 88 7.594 -7.259 9.539 747 H TRP 89 H TRP 89 11.523 -3.525 5.086 748 HA TRP 89 HA TRP 89 9.980 -3.801 2.595 749 HB2 TRP 89 HB2 TRP 89 10.422 -1.418 4.428 750 HB3 TRP 89 HB3 TRP 89 9.476 -1.351 2.942 751 HD1 TRP 89 HD1 TRP 89 8.983 -1.877 6.556 752 HE1 TRP 89 HE1 TRP 89 6.686 -2.943 7.023 753 HE3 TRP 89 HE3 TRP 89 7.775 -3.340 1.800 754 HZ2 TRP 89 HZ2 TRP 89 4.641 -4.250 5.569 755 HZ3 TRP 89 HZ3 TRP 89 5.638 -4.491 1.415 756 HH2 TRP 89 HH2 TRP 89 4.102 -4.934 3.266 757 H ALA 90 H ALA 90 13.139 -2.900 3.611 758 HA ALA 90 HA ALA 90 13.966 -1.179 1.543 759 HB1 ALA 90 HB1 ALA 90 15.612 -3.181 3.113 760 HB2 ALA 90 HB2 ALA 90 15.229 -1.534 3.619 761 HB3 ALA 90 HB3 ALA 90 16.248 -1.806 2.203 762 H ASN 91 H ASN 91 13.476 -4.652 1.497 763 HA ASN 91 HA ASN 91 14.791 -4.955 -1.145 764 HB2 ASN 91 HB2 ASN 91 14.532 -7.414 -0.759 765 HB3 ASN 91 HB3 ASN 91 15.471 -6.621 0.501 766 HD21 ASN 91 HD21 ASN 91 14.544 -6.351 2.558 767 HD22 ASN 91 HD22 ASN 91 13.175 -7.269 3.069 768 H SER 92 H SER 92 11.636 -4.712 0.277 769 HA SER 92 HA SER 92 10.110 -6.348 -1.461 770 HB2 SER 92 HB2 SER 92 9.233 -3.917 0.157 771 HB3 SER 92 HB3 SER 92 8.134 -5.064 -0.615 772 HG SER 92 HG SER 92 8.779 -6.634 0.776 773 H LYS 93 H LYS 93 9.499 -6.088 -3.544 774 HA LYS 93 HA LYS 93 10.119 -3.842 -5.167 775 HB2 LYS 93 HB2 LYS 93 9.818 -6.105 -6.112 776 HB3 LYS 93 HB3 LYS 93 8.117 -6.087 -5.664 777 HG2 LYS 93 HG2 LYS 93 7.718 -4.230 -7.269 778 HG3 LYS 93 HG3 LYS 93 9.427 -4.260 -7.719 779 HD2 LYS 93 HD2 LYS 93 9.164 -6.580 -8.554 780 HD3 LYS 93 HD3 LYS 93 7.457 -6.554 -8.091 781 HE2 LYS 93 HE2 LYS 93 8.747 -4.737 -10.164 782 HE3 LYS 93 HE3 LYS 93 7.775 -6.164 -10.519 783 HZ1 LYS 93 HZ1 LYS 93 6.477 -4.151 -10.734 784 HZ2 LYS 93 HZ2 LYS 93 6.824 -3.711 -9.141 785 HZ3 LYS 93 HZ3 LYS 93 5.885 -5.080 -9.450 786 H LEU 94 H LEU 94 7.194 -4.789 -3.424 787 HA LEU 94 HA LEU 94 5.244 -3.065 -4.293 788 HB2 LEU 94 HB2 LEU 94 4.942 -4.806 -2.578 789 HB3 LEU 94 HB3 LEU 94 5.895 -3.863 -1.442 790 HG LEU 94 HG LEU 94 4.119 -2.037 -1.618 791 HD11 LEU 94 HD11 LEU 94 3.107 -2.707 -3.743 792 HD12 LEU 94 HD12 LEU 94 1.911 -2.633 -2.456 793 HD13 LEU 94 HD13 LEU 94 2.509 -4.199 -3.008 794 HD21 LEU 94 HD21 LEU 94 4.267 -3.493 0.318 795 HD22 LEU 94 HD22 LEU 94 3.276 -4.715 -0.486 796 HD23 LEU 94 HD23 LEU 94 2.582 -3.146 -0.068 797 H LEU 95 H LEU 95 7.668 -2.347 -1.751 798 HA LEU 95 HA LEU 95 6.794 0.265 -1.150 799 HB2 LEU 95 HB2 LEU 95 8.314 -1.009 0.334 800 HB3 LEU 95 HB3 LEU 95 9.595 -0.887 -0.868 801 HG LEU 95 HG LEU 95 9.517 1.631 -0.623 802 HD11 LEU 95 HD11 LEU 95 7.242 1.890 0.209 803 HD12 LEU 95 HD12 LEU 95 8.401 2.637 1.305 804 HD13 LEU 95 HD13 LEU 95 7.675 1.080 1.719 805 HD21 LEU 95 HD21 LEU 95 11.227 0.326 0.532 806 HD22 LEU 95 HD22 LEU 95 10.161 0.135 1.926 807 HD23 LEU 95 HD23 LEU 95 10.747 1.738 1.472 808 H LYS 96 H LYS 96 9.078 -0.940 -3.567 809 HA LYS 96 HA LYS 96 10.167 1.550 -4.412 810 HB2 LYS 96 HB2 LYS 96 9.805 -0.869 -6.224 811 HB3 LYS 96 HB3 LYS 96 11.050 0.374 -6.314 812 HG2 LYS 96 HG2 LYS 96 10.784 -1.784 -4.197 813 HG3 LYS 96 HG3 LYS 96 11.982 -1.723 -5.490 814 HD2 LYS 96 HD2 LYS 96 12.999 0.285 -4.465 815 HD3 LYS 96 HD3 LYS 96 11.767 0.280 -3.197 816 HE2 LYS 96 HE2 LYS 96 12.591 -1.920 -2.408 817 HE3 LYS 96 HE3 LYS 96 13.812 -1.922 -3.683 818 HZ1 LYS 96 HZ1 LYS 96 14.767 0.062 -2.700 819 HZ2 LYS 96 HZ2 LYS 96 14.737 -1.218 -1.601 820 HZ3 LYS 96 HZ3 LYS 96 13.612 0.031 -1.469 821 H GLN 97 H GLN 97 7.313 -0.302 -5.404 822 HA GLN 97 HA GLN 97 6.381 1.333 -7.540 823 HB2 GLN 97 HB2 GLN 97 4.646 -0.312 -5.640 824 HB3 GLN 97 HB3 GLN 97 4.246 0.174 -7.282 825 HG2 GLN 97 HG2 GLN 97 6.287 -1.881 -6.416 826 HG3 GLN 97 HG3 GLN 97 4.754 -2.181 -7.223 827 HE21 GLN 97 HE21 GLN 97 8.054 -1.209 -7.622 828 HE22 GLN 97 HE22 GLN 97 8.067 -1.206 -9.349 829 H LEU 98 H LEU 98 5.844 1.363 -4.047 830 HA LEU 98 HA LEU 98 3.735 3.270 -3.919 831 HB2 LEU 98 HB2 LEU 98 4.332 1.542 -2.166 832 HB3 LEU 98 HB3 LEU 98 5.741 2.508 -1.755 833 HG LEU 98 HG LEU 98 4.171 4.401 -1.122 834 HD11 LEU 98 HD11 LEU 98 2.010 2.303 -1.468 835 HD12 LEU 98 HD12 LEU 98 2.225 3.760 -2.444 836 HD13 LEU 98 HD13 LEU 98 1.800 3.898 -0.741 837 HD21 LEU 98 HD21 LEU 98 3.514 3.437 1.045 838 HD22 LEU 98 HD22 LEU 98 5.154 2.969 0.602 839 HD23 LEU 98 HD23 LEU 98 3.831 1.812 0.427 840 H GLN 99 H GLN 99 7.232 3.517 -3.539 841 HA GLN 99 HA GLN 99 7.459 6.282 -2.926 842 HB2 GLN 99 HB2 GLN 99 9.440 4.299 -4.112 843 HB3 GLN 99 HB3 GLN 99 9.887 5.923 -3.582 844 HG2 GLN 99 HG2 GLN 99 9.319 5.409 -1.289 845 HG3 GLN 99 HG3 GLN 99 8.622 3.857 -1.753 846 HE21 GLN 99 HE21 GLN 99 10.810 4.526 0.126 847 HE22 GLN 99 HE22 GLN 99 12.160 3.587 -0.396 848 H GLU 100 H GLU 100 7.261 4.553 -5.996 849 HA GLU 100 HA GLU 100 7.743 6.803 -7.701 850 HB2 GLU 100 HB2 GLU 100 6.244 4.201 -8.209 851 HB3 GLU 100 HB3 GLU 100 6.587 5.397 -9.456 852 HG2 GLU 100 HG2 GLU 100 8.651 3.854 -7.860 853 HG3 GLU 100 HG3 GLU 100 8.176 3.525 -9.522 854 H PHE 101 H PHE 101 4.716 5.211 -6.592 855 HA PHE 101 HA PHE 101 2.974 6.951 -7.982 856 HB2 PHE 101 HB2 PHE 101 2.278 4.683 -7.253 857 HB3 PHE 101 HB3 PHE 101 2.300 5.217 -5.570 858 HD1 PHE 101 HD2 PHE 101 0.830 6.257 -8.871 859 HD2 PHE 101 HD1 PHE 101 0.212 5.928 -4.647 860 HE1 PHE 101 HE2 PHE 101 -1.439 7.143 -9.132 861 HE2 PHE 101 HE1 PHE 101 -2.061 6.833 -4.927 862 HZ PHE 101 HZ PHE 101 -2.884 7.437 -7.171 863 H SER 102 H SER 102 4.244 7.130 -4.663 864 HA SER 102 HA SER 102 2.681 9.113 -3.523 865 HB2 SER 102 HB2 SER 102 4.659 9.695 -2.136 866 HB3 SER 102 HB3 SER 102 4.491 7.947 -2.307 867 HG SER 102 HG SER 102 6.551 9.524 -3.016 868 H GLU 103 H GLU 103 5.415 9.505 -5.735 869 HA GLU 103 HA GLU 103 5.242 12.394 -5.897 870 HB2 GLU 103 HB2 GLU 103 6.743 10.508 -7.760 871 HB3 GLU 103 HB3 GLU 103 7.070 12.218 -7.481 872 HG2 GLU 103 HG2 GLU 103 7.482 9.943 -5.513 873 HG3 GLU 103 HG3 GLU 103 8.741 10.826 -6.369 874 H ASN 104 H ASN 104 4.008 9.647 -7.722 875 HA ASN 104 HA ASN 104 3.146 11.215 -10.041 876 HB2 ASN 104 HB2 ASN 104 2.973 8.246 -9.403 877 HB3 ASN 104 HB3 ASN 104 2.308 8.947 -10.870 878 HD21 ASN 104 HD21 ASN 104 5.416 9.838 -9.349 879 HD22 ASN 104 HD22 ASN 104 6.382 9.270 -10.654 880 H LYS 105 H LYS 105 1.760 11.051 -7.084 881 HA LYS 105 HA LYS 105 -1.001 10.560 -7.716 882 HB2 LYS 105 HB2 LYS 105 0.283 12.092 -5.420 883 HB3 LYS 105 HB3 LYS 105 -1.458 11.879 -5.567 884 HG2 LYS 105 HG2 LYS 105 -1.102 9.402 -5.477 885 HG3 LYS 105 HG3 LYS 105 0.610 9.699 -5.175 886 HD2 LYS 105 HD2 LYS 105 -1.578 10.837 -3.389 887 HD3 LYS 105 HD3 LYS 105 -0.894 9.235 -3.133 888 HE2 LYS 105 HE2 LYS 105 0.170 10.863 -1.651 889 HE3 LYS 105 HE3 LYS 105 1.341 10.238 -2.802 890 HZ1 LYS 105 HZ1 LYS 105 1.504 12.646 -2.427 891 HZ2 LYS 105 HZ2 LYS 105 -0.040 12.854 -3.084 892 HZ3 LYS 105 HZ3 LYS 105 1.216 12.260 -4.046 893 H GLU 106 H GLU 106 -1.256 11.732 -9.685 894 HA GLU 106 HA GLU 106 -1.530 14.677 -9.438 895 HB2 GLU 106 HB2 GLU 106 -0.908 13.017 -11.917 896 HB3 GLU 106 HB3 GLU 106 -1.158 14.762 -11.907 897 HG2 GLU 106 HG2 GLU 106 0.832 15.030 -10.450 898 HG3 GLU 106 HG3 GLU 106 1.083 13.283 -10.482 899 H LYS 107 H LYS 107 -2.962 11.777 -10.917 900 HA LYS 107 HA LYS 107 -5.488 13.240 -11.395 901 HB2 LYS 107 HB2 LYS 107 -4.485 10.634 -12.618 902 HB3 LYS 107 HB3 LYS 107 -6.073 11.337 -12.927 903 HG2 LYS 107 HG2 LYS 107 -4.958 13.369 -13.850 904 HG3 LYS 107 HG3 LYS 107 -3.392 12.584 -13.617 905 HD2 LYS 107 HD2 LYS 107 -3.992 10.831 -15.219 906 HD3 LYS 107 HD3 LYS 107 -5.623 11.492 -15.380 907 HE2 LYS 107 HE2 LYS 107 -4.643 13.586 -16.332 908 HE3 LYS 107 HE3 LYS 107 -3.037 12.857 -16.231 909 HZ1 LYS 107 HZ1 LYS 107 -3.986 12.670 -18.434 910 HZ2 LYS 107 HZ2 LYS 107 -5.308 11.808 -17.834 911 HZ3 LYS 107 HZ3 LYS 107 -3.754 11.140 -17.758 912 H GLU 108 H GLU 108 -6.101 13.140 -9.172 913 HA GLU 108 HA GLU 108 -6.870 10.615 -7.959 914 HB2 GLU 108 HB2 GLU 108 -7.930 12.085 -6.203 915 HB3 GLU 108 HB3 GLU 108 -6.217 12.390 -6.461 916 HG2 GLU 108 HG2 GLU 108 -6.735 14.404 -7.772 917 HG3 GLU 108 HG3 GLU 108 -8.462 14.080 -7.624 918 H ILE 109 H ILE 109 -8.112 9.835 -9.782 919 HA ILE 109 HA ILE 109 -10.421 11.206 -10.795 920 HB ILE 109 HB ILE 109 -10.856 9.140 -12.110 921 HG12 ILE 109 HG12 ILE 109 -8.463 7.923 -10.629 922 HG13 ILE 109 HG13 ILE 109 -10.141 7.460 -10.376 923 HG21 ILE 109 HG21 ILE 109 -7.934 10.007 -12.145 924 HG22 ILE 109 HG22 ILE 109 -9.270 10.797 -12.987 925 HG23 ILE 109 HG23 ILE 109 -8.774 9.172 -13.457 926 HD11 ILE 109 HD11 ILE 109 -8.990 5.849 -11.761 927 HD12 ILE 109 HD12 ILE 109 -8.570 7.103 -12.927 928 HD13 ILE 109 HD13 ILE 109 -10.260 6.647 -12.687 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -28.315 -53.785 -18.125 2 H2 MET 1 H2 MET 1 -27.613 -52.249 -18.165 3 H3 MET 1 H3 MET 1 -28.242 -52.853 -16.717 4 HA MET 1 HA MET 1 -26.614 -54.581 -16.659 5 HB2 MET 1 HB2 MET 1 -25.736 -53.361 -19.297 6 HB3 MET 1 HB3 MET 1 -24.633 -54.338 -18.332 7 HG2 MET 1 HG2 MET 1 -25.707 -55.643 -20.117 8 HG3 MET 1 HG3 MET 1 -26.107 -56.266 -18.516 9 HE1 MET 1 HE1 MET 1 -27.728 -57.188 -21.075 10 HE2 MET 1 HE2 MET 1 -29.398 -57.039 -20.527 11 HE3 MET 1 HE3 MET 1 -28.168 -57.708 -19.451 12 H GLY 2 H GLY 2 -26.368 -53.405 -14.717 13 HA2 GLY 2 HA2 GLY 2 -24.620 -52.896 -13.272 14 HA3 GLY 2 HA3 GLY 2 -23.671 -52.299 -14.612 15 H HIS 3 H HIS 3 -26.040 -50.418 -15.343 16 HA HIS 3 HA HIS 3 -26.081 -48.468 -13.202 17 HB2 HIS 3 HB2 HIS 3 -24.713 -46.732 -14.377 18 HB3 HIS 3 HB3 HIS 3 -23.761 -48.140 -13.923 19 HD1 HIS 3 HD1 HIS 3 -23.389 -49.926 -15.958 20 HD2 HIS 3 HD2 HIS 3 -24.401 -46.045 -17.051 21 HE1 HIS 3 HE1 HIS 3 -22.805 -49.746 -18.389 22 HE2 HIS 3 HE2 HIS 3 -23.631 -47.476 -19.071 23 H HIS 4 H HIS 4 -27.623 -46.882 -13.498 24 HA HIS 4 HA HIS 4 -29.142 -46.706 -16.011 25 HB2 HIS 4 HB2 HIS 4 -29.488 -45.265 -13.339 26 HB3 HIS 4 HB3 HIS 4 -30.546 -45.045 -14.730 27 HD1 HIS 4 HD1 HIS 4 -29.594 -47.617 -12.113 28 HD2 HIS 4 HD2 HIS 4 -32.511 -46.991 -15.010 29 HE1 HIS 4 HE1 HIS 4 -31.319 -49.398 -11.730 30 HE2 HIS 4 HE2 HIS 4 -33.103 -48.953 -13.436 31 H HIS 5 H HIS 5 -27.713 -44.239 -13.829 32 HA HIS 5 HA HIS 5 -26.099 -43.130 -16.036 33 HB2 HIS 5 HB2 HIS 5 -27.949 -41.500 -14.239 34 HB3 HIS 5 HB3 HIS 5 -26.573 -40.776 -15.063 35 HD1 HIS 5 HD1 HIS 5 -26.676 -40.684 -17.681 36 HD2 HIS 5 HD2 HIS 5 -30.200 -41.901 -15.848 37 HE1 HIS 5 HE1 HIS 5 -28.437 -40.518 -19.450 38 HE2 HIS 5 HE2 HIS 5 -30.586 -41.071 -18.268 39 H HIS 6 H HIS 6 -24.204 -43.888 -15.246 40 HA HIS 6 HA HIS 6 -23.445 -43.894 -12.477 41 HB2 HIS 6 HB2 HIS 6 -22.588 -45.534 -14.167 42 HB3 HIS 6 HB3 HIS 6 -21.717 -44.233 -14.969 43 HD1 HIS 6 HD1 HIS 6 -21.620 -46.457 -11.965 44 HD2 HIS 6 HD2 HIS 6 -19.331 -43.420 -13.642 45 HE1 HIS 6 HE1 HIS 6 -19.432 -46.511 -10.747 46 HE2 HIS 6 HE2 HIS 6 -18.081 -44.633 -11.730 47 H HIS 7 H HIS 7 -22.682 -41.812 -15.278 48 HA HIS 7 HA HIS 7 -21.136 -39.931 -13.646 49 HB2 HIS 7 HB2 HIS 7 -20.499 -40.569 -16.033 50 HB3 HIS 7 HB3 HIS 7 -21.914 -39.684 -16.592 51 HD1 HIS 7 HD1 HIS 7 -21.815 -37.078 -16.415 52 HD2 HIS 7 HD2 HIS 7 -18.321 -38.982 -15.230 53 HE1 HIS 7 HE1 HIS 7 -20.080 -35.274 -16.286 54 HE2 HIS 7 HE2 HIS 7 -17.935 -36.492 -15.788 55 H HIS 8 H HIS 8 -22.283 -38.503 -12.428 56 HA HIS 8 HA HIS 8 -24.358 -36.826 -13.548 57 HB2 HIS 8 HB2 HIS 8 -26.140 -37.434 -11.931 58 HB3 HIS 8 HB3 HIS 8 -25.697 -38.828 -12.912 59 HD1 HIS 8 HD1 HIS 8 -25.829 -37.625 -9.413 60 HD2 HIS 8 HD2 HIS 8 -24.227 -40.861 -11.475 61 HE1 HIS 8 HE1 HIS 8 -25.161 -39.275 -7.651 62 HE2 HIS 8 HE2 HIS 8 -24.010 -41.121 -8.907 63 H SER 9 H SER 9 -24.183 -34.826 -12.685 64 HA SER 9 HA SER 9 -23.656 -33.042 -11.353 65 HB2 SER 9 HB2 SER 9 -25.347 -34.126 -9.850 66 HB3 SER 9 HB3 SER 9 -24.055 -35.040 -9.077 67 HG SER 9 HG SER 9 -24.307 -32.192 -9.073 68 H HIS 10 H HIS 10 -22.117 -32.629 -9.054 69 HA HIS 10 HA HIS 10 -20.166 -32.777 -7.911 70 HB2 HIS 10 HB2 HIS 10 -20.571 -35.257 -7.947 71 HB3 HIS 10 HB3 HIS 10 -19.648 -35.367 -9.436 72 HD1 HIS 10 HD1 HIS 10 -19.209 -34.669 -5.748 73 HD2 HIS 10 HD2 HIS 10 -16.889 -35.556 -9.080 74 HE1 HIS 10 HE1 HIS 10 -16.907 -35.118 -4.866 75 HE2 HIS 10 HE2 HIS 10 -15.520 -35.685 -6.889 76 H MET 11 H MET 11 -20.266 -32.308 -11.231 77 HA MET 11 HA MET 11 -17.418 -32.278 -11.805 78 HB2 MET 11 HB2 MET 11 -19.044 -33.051 -13.508 79 HB3 MET 11 HB3 MET 11 -19.789 -31.460 -13.547 80 HG2 MET 11 HG2 MET 11 -17.611 -30.532 -14.379 81 HG3 MET 11 HG3 MET 11 -16.990 -32.184 -14.460 82 HE1 MET 11 HE1 MET 11 -16.383 -31.559 -17.038 83 HE2 MET 11 HE2 MET 11 -17.173 -29.987 -16.901 84 HE3 MET 11 HE3 MET 11 -17.595 -31.072 -18.227 85 H ILE 12 H ILE 12 -16.895 -30.703 -10.140 86 HA ILE 12 HA ILE 12 -16.180 -28.704 -9.362 87 HB ILE 12 HB ILE 12 -15.756 -28.168 -12.322 88 HG12 ILE 12 HG12 ILE 12 -13.926 -29.604 -10.336 89 HG13 ILE 12 HG13 ILE 12 -14.886 -30.408 -11.572 90 HG21 ILE 12 HG21 ILE 12 -15.370 -26.150 -10.941 91 HG22 ILE 12 HG22 ILE 12 -13.849 -26.758 -11.592 92 HG23 ILE 12 HG23 ILE 12 -14.264 -27.056 -9.902 93 HD11 ILE 12 HD11 ILE 12 -12.579 -30.248 -12.232 94 HD12 ILE 12 HD12 ILE 12 -12.603 -28.496 -12.055 95 HD13 ILE 12 HD13 ILE 12 -13.578 -29.272 -13.310 96 H LYS 13 H LYS 13 -17.876 -27.680 -8.398 97 HA LYS 13 HA LYS 13 -19.529 -25.759 -9.950 98 HB2 LYS 13 HB2 LYS 13 -20.692 -27.718 -8.867 99 HB3 LYS 13 HB3 LYS 13 -20.178 -27.115 -7.296 100 HG2 LYS 13 HG2 LYS 13 -21.532 -25.083 -7.612 101 HG3 LYS 13 HG3 LYS 13 -21.994 -25.621 -9.232 102 HD2 LYS 13 HD2 LYS 13 -23.093 -27.631 -8.203 103 HD3 LYS 13 HD3 LYS 13 -22.708 -26.996 -6.600 104 HE2 LYS 13 HE2 LYS 13 -25.022 -26.464 -7.150 105 HE3 LYS 13 HE3 LYS 13 -24.087 -24.968 -7.126 106 HZ1 LYS 13 HZ1 LYS 13 -23.971 -25.057 -9.545 107 HZ2 LYS 13 HZ2 LYS 13 -25.576 -25.057 -9.017 108 HZ3 LYS 13 HZ3 LYS 13 -24.865 -26.493 -9.554 109 H ARG 14 H ARG 14 -17.163 -26.007 -7.447 110 HA ARG 14 HA ARG 14 -17.871 -23.452 -6.155 111 HB2 ARG 14 HB2 ARG 14 -15.822 -25.553 -5.324 112 HB3 ARG 14 HB3 ARG 14 -16.281 -24.126 -4.392 113 HG2 ARG 14 HG2 ARG 14 -18.545 -25.007 -4.089 114 HG3 ARG 14 HG3 ARG 14 -18.166 -26.388 -5.125 115 HD2 ARG 14 HD2 ARG 14 -16.403 -27.072 -3.474 116 HD3 ARG 14 HD3 ARG 14 -16.945 -25.761 -2.417 117 HE ARG 14 HE ARG 14 -19.219 -27.191 -2.935 118 HH11 ARG 14 HH11 ARG 14 -16.145 -28.053 -1.612 119 HH12 ARG 14 HH12 ARG 14 -16.808 -29.294 -0.618 120 HH21 ARG 14 HH21 ARG 14 -20.042 -28.780 -1.688 121 HH22 ARG 14 HH22 ARG 14 -19.005 -29.724 -0.684 122 H THR 15 H THR 15 -16.733 -21.646 -6.527 123 HA THR 15 HA THR 15 -14.208 -21.593 -7.990 124 HB THR 15 HB THR 15 -14.302 -19.099 -7.614 125 HG1 THR 15 HG1 THR 15 -16.431 -18.373 -6.744 126 HG21 THR 15 HG21 THR 15 -16.276 -18.658 -9.036 127 HG22 THR 15 HG22 THR 15 -16.863 -20.294 -8.743 128 HG23 THR 15 HG23 THR 15 -15.359 -20.044 -9.634 129 H ASN 16 H ASN 16 -15.330 -21.175 -4.668 130 HA ASN 16 HA ASN 16 -14.368 -21.165 -2.626 131 HB2 ASN 16 HB2 ASN 16 -13.158 -23.195 -3.611 132 HB3 ASN 16 HB3 ASN 16 -11.797 -22.138 -3.946 133 HD21 ASN 16 HD21 ASN 16 -11.847 -24.486 -2.277 134 HD22 ASN 16 HD22 ASN 16 -11.376 -23.980 -0.698 135 H GLU 17 H GLU 17 -14.633 -18.855 -2.728 136 HA GLU 17 HA GLU 17 -14.105 -16.695 -2.479 137 HB2 GLU 17 HB2 GLU 17 -12.705 -17.428 -0.643 138 HB3 GLU 17 HB3 GLU 17 -11.385 -17.814 -1.739 139 HG2 GLU 17 HG2 GLU 17 -10.989 -15.484 -2.215 140 HG3 GLU 17 HG3 GLU 17 -12.450 -15.001 -1.355 141 HA PRO 18 HA PRO 18 -12.701 -15.761 -6.825 142 HB2 PRO 18 HB2 PRO 18 -14.175 -13.274 -5.932 143 HB3 PRO 18 HB3 PRO 18 -14.234 -14.123 -7.486 144 HG2 PRO 18 HG2 PRO 18 -16.224 -14.378 -5.722 145 HG3 PRO 18 HG3 PRO 18 -15.685 -15.773 -6.682 146 HD2 PRO 18 HD2 PRO 18 -15.150 -15.128 -3.791 147 HD3 PRO 18 HD3 PRO 18 -15.427 -16.706 -4.564 148 H LEU 19 H LEU 19 -10.841 -14.701 -7.324 149 HA LEU 19 HA LEU 19 -9.171 -13.471 -5.393 150 HB2 LEU 19 HB2 LEU 19 -8.785 -14.594 -7.873 151 HB3 LEU 19 HB3 LEU 19 -8.632 -12.899 -8.284 152 HG LEU 19 HG LEU 19 -6.456 -13.954 -7.857 153 HD11 LEU 19 HD11 LEU 19 -5.482 -12.338 -6.328 154 HD12 LEU 19 HD12 LEU 19 -7.092 -11.910 -5.722 155 HD13 LEU 19 HD13 LEU 19 -6.656 -11.565 -7.398 156 HD21 LEU 19 HD21 LEU 19 -7.156 -15.666 -6.247 157 HD22 LEU 19 HD22 LEU 19 -7.419 -14.425 -5.018 158 HD23 LEU 19 HD23 LEU 19 -5.792 -14.732 -5.636 159 H ASP 20 H ASP 20 -11.488 -12.213 -7.664 160 HA ASP 20 HA ASP 20 -11.126 -9.459 -7.587 161 HB2 ASP 20 HB2 ASP 20 -13.859 -10.794 -7.376 162 HB3 ASP 20 HB3 ASP 20 -13.468 -9.259 -8.147 163 H LYS 21 H LYS 21 -12.753 -11.572 -5.214 164 HA LYS 21 HA LYS 21 -13.494 -9.474 -3.395 165 HB2 LYS 21 HB2 LYS 21 -13.355 -12.485 -2.996 166 HB3 LYS 21 HB3 LYS 21 -13.996 -11.358 -1.798 167 HG2 LYS 21 HG2 LYS 21 -15.683 -10.619 -3.542 168 HG3 LYS 21 HG3 LYS 21 -15.116 -11.954 -4.557 169 HD2 LYS 21 HD2 LYS 21 -15.778 -13.573 -2.824 170 HD3 LYS 21 HD3 LYS 21 -16.279 -12.256 -1.756 171 HE2 LYS 21 HE2 LYS 21 -17.995 -11.593 -3.457 172 HE3 LYS 21 HE3 LYS 21 -17.529 -12.990 -4.430 173 HZ1 LYS 21 HZ1 LYS 21 -18.187 -14.426 -2.622 174 HZ2 LYS 21 HZ2 LYS 21 -19.474 -13.426 -3.083 175 HZ3 LYS 21 HZ3 LYS 21 -18.608 -13.092 -1.672 176 H LYS 22 H LYS 22 -10.640 -11.618 -3.618 177 HA LYS 22 HA LYS 22 -9.428 -10.953 -1.136 178 HB2 LYS 22 HB2 LYS 22 -8.534 -12.778 -2.571 179 HB3 LYS 22 HB3 LYS 22 -8.045 -11.595 -3.783 180 HG2 LYS 22 HG2 LYS 22 -6.581 -10.546 -1.908 181 HG3 LYS 22 HG3 LYS 22 -6.893 -12.032 -1.011 182 HD2 LYS 22 HD2 LYS 22 -5.909 -13.315 -2.948 183 HD3 LYS 22 HD3 LYS 22 -5.498 -11.761 -3.686 184 HE2 LYS 22 HE2 LYS 22 -3.557 -12.736 -2.520 185 HE3 LYS 22 HE3 LYS 22 -4.047 -11.219 -1.766 186 HZ1 LYS 22 HZ1 LYS 22 -5.100 -12.426 -0.007 187 HZ2 LYS 22 HZ2 LYS 22 -3.529 -13.020 -0.184 188 HZ3 LYS 22 HZ3 LYS 22 -4.835 -13.909 -0.777 189 H ARG 23 H ARG 23 -8.973 -9.539 -4.385 190 HA ARG 23 HA ARG 23 -7.278 -7.401 -3.684 191 HB2 ARG 23 HB2 ARG 23 -9.195 -7.740 -6.023 192 HB3 ARG 23 HB3 ARG 23 -8.076 -6.381 -5.884 193 HG2 ARG 23 HG2 ARG 23 -6.165 -7.852 -5.959 194 HG3 ARG 23 HG3 ARG 23 -7.199 -9.284 -5.912 195 HD2 ARG 23 HD2 ARG 23 -8.159 -8.557 -8.135 196 HD3 ARG 23 HD3 ARG 23 -6.939 -7.274 -8.176 197 HE ARG 23 HE ARG 23 -5.761 -9.842 -7.755 198 HH11 ARG 23 HH11 ARG 23 -7.008 -7.848 -10.288 199 HH12 ARG 23 HH12 ARG 23 -6.109 -8.672 -11.507 200 HH21 ARG 23 HH21 ARG 23 -4.608 -10.866 -9.333 201 HH22 ARG 23 HH22 ARG 23 -4.767 -10.346 -10.973 202 H ALA 24 H ALA 24 -10.834 -7.584 -3.900 203 HA ALA 24 HA ALA 24 -11.497 -4.914 -3.323 204 HB1 ALA 24 HB1 ALA 24 -13.694 -5.780 -2.608 205 HB2 ALA 24 HB2 ALA 24 -13.032 -7.419 -2.536 206 HB3 ALA 24 HB3 ALA 24 -13.152 -6.583 -4.085 207 H ARG 25 H ARG 25 -10.773 -7.636 -1.134 208 HA ARG 25 HA ARG 25 -11.239 -6.319 1.338 209 HB2 ARG 25 HB2 ARG 25 -11.081 -8.806 1.074 210 HB3 ARG 25 HB3 ARG 25 -9.354 -8.647 0.765 211 HG2 ARG 25 HG2 ARG 25 -9.179 -7.563 3.093 212 HG3 ARG 25 HG3 ARG 25 -10.842 -8.096 3.356 213 HD2 ARG 25 HD2 ARG 25 -8.421 -9.853 2.819 214 HD3 ARG 25 HD3 ARG 25 -9.299 -9.691 4.343 215 HE ARG 25 HE ARG 25 -10.999 -10.589 2.236 216 HH11 ARG 25 HH11 ARG 25 -8.704 -11.707 4.567 217 HH12 ARG 25 HH12 ARG 25 -9.212 -13.354 4.420 218 HH21 ARG 25 HH21 ARG 25 -11.610 -12.703 2.062 219 HH22 ARG 25 HH22 ARG 25 -10.811 -13.906 3.008 220 H LEU 26 H LEU 26 -8.280 -6.631 -0.669 221 HA LEU 26 HA LEU 26 -6.491 -5.465 1.246 222 HB2 LEU 26 HB2 LEU 26 -6.154 -5.657 -1.769 223 HB3 LEU 26 HB3 LEU 26 -4.881 -5.317 -0.612 224 HG LEU 26 HG LEU 26 -6.364 -7.973 -0.920 225 HD11 LEU 26 HD11 LEU 26 -4.754 -7.581 -2.704 226 HD12 LEU 26 HD12 LEU 26 -4.190 -8.857 -1.629 227 HD13 LEU 26 HD13 LEU 26 -3.483 -7.241 -1.524 228 HD21 LEU 26 HD21 LEU 26 -4.803 -8.838 0.795 229 HD22 LEU 26 HD22 LEU 26 -5.862 -7.587 1.441 230 HD23 LEU 26 HD23 LEU 26 -4.182 -7.202 1.051 231 H ILE 27 H ILE 27 -8.078 -4.156 -1.663 232 HA ILE 27 HA ILE 27 -7.395 -1.441 -1.466 233 HB ILE 27 HB ILE 27 -9.927 -2.703 -2.636 234 HG12 ILE 27 HG12 ILE 27 -7.369 -1.898 -4.096 235 HG13 ILE 27 HG13 ILE 27 -7.705 -3.536 -3.566 236 HG21 ILE 27 HG21 ILE 27 -10.260 -0.283 -2.321 237 HG22 ILE 27 HG22 ILE 27 -10.136 -0.669 -4.037 238 HG23 ILE 27 HG23 ILE 27 -8.762 0.053 -3.195 239 HD11 ILE 27 HD11 ILE 27 -9.187 -1.965 -5.664 240 HD12 ILE 27 HD12 ILE 27 -9.683 -3.555 -5.072 241 HD13 ILE 27 HD13 ILE 27 -8.134 -3.365 -5.895 242 H TYR 28 H TYR 28 -9.979 -3.281 0.112 243 HA TYR 28 HA TYR 28 -11.429 -1.194 1.364 244 HB2 TYR 28 HB2 TYR 28 -12.389 -3.389 1.209 245 HB3 TYR 28 HB3 TYR 28 -11.017 -4.137 1.994 246 HD1 TYR 28 HD2 TYR 28 -14.108 -2.134 2.585 247 HD2 TYR 28 HD1 TYR 28 -10.919 -4.335 4.401 248 HE1 TYR 28 HE2 TYR 28 -15.337 -2.169 4.719 249 HE2 TYR 28 HE1 TYR 28 -12.147 -4.374 6.523 250 HH TYR 28 HH TYR 28 -13.880 -3.156 7.672 251 H GLN 29 H GLN 29 -8.779 -3.246 2.666 252 HA GLN 29 HA GLN 29 -8.648 -1.986 5.233 253 HB2 GLN 29 HB2 GLN 29 -6.588 -3.732 3.829 254 HB3 GLN 29 HB3 GLN 29 -6.585 -3.333 5.546 255 HG2 GLN 29 HG2 GLN 29 -8.688 -4.553 5.858 256 HG3 GLN 29 HG3 GLN 29 -8.763 -4.910 4.133 257 HE21 GLN 29 HE21 GLN 29 -7.234 -6.412 3.255 258 HE22 GLN 29 HE22 GLN 29 -6.399 -7.527 4.274 259 H SER 30 H SER 30 -7.160 -1.214 2.179 260 HA SER 30 HA SER 30 -5.133 0.566 3.242 261 HB2 SER 30 HB2 SER 30 -4.725 1.179 0.910 262 HB3 SER 30 HB3 SER 30 -4.852 -0.570 1.052 263 HG SER 30 HG SER 30 -6.619 1.262 -0.127 264 H ARG 31 H ARG 31 -8.471 0.860 2.149 265 HA ARG 31 HA ARG 31 -8.506 3.770 2.361 266 HB2 ARG 31 HB2 ARG 31 -10.746 1.756 1.920 267 HB3 ARG 31 HB3 ARG 31 -10.958 3.510 1.898 268 HG2 ARG 31 HG2 ARG 31 -9.446 3.692 -0.037 269 HG3 ARG 31 HG3 ARG 31 -9.169 1.947 -0.002 270 HD2 ARG 31 HD2 ARG 31 -11.572 1.567 -0.500 271 HD3 ARG 31 HD3 ARG 31 -11.839 3.314 -0.542 272 HE ARG 31 HE ARG 31 -10.587 1.671 -2.573 273 HH11 ARG 31 HH11 ARG 31 -11.081 4.911 -1.481 274 HH12 ARG 31 HH12 ARG 31 -10.644 5.596 -3.006 275 HH21 ARG 31 HH21 ARG 31 -10.014 2.583 -4.510 276 HH22 ARG 31 HH22 ARG 31 -10.047 4.302 -4.681 277 H LYS 32 H LYS 32 -9.076 1.050 4.522 278 HA LYS 32 HA LYS 32 -10.168 2.801 6.615 279 HB2 LYS 32 HB2 LYS 32 -9.427 -0.139 6.481 280 HB3 LYS 32 HB3 LYS 32 -9.487 0.637 8.052 281 HG2 LYS 32 HG2 LYS 32 -11.571 -0.384 7.836 282 HG3 LYS 32 HG3 LYS 32 -11.887 1.314 7.501 283 HD2 LYS 32 HD2 LYS 32 -11.424 -0.634 5.223 284 HD3 LYS 32 HD3 LYS 32 -12.989 -0.568 6.022 285 HE2 LYS 32 HE2 LYS 32 -11.628 1.746 4.610 286 HE3 LYS 32 HE3 LYS 32 -12.980 0.801 3.989 287 HZ1 LYS 32 HZ1 LYS 32 -14.316 1.596 5.852 288 HZ2 LYS 32 HZ2 LYS 32 -13.729 2.874 4.917 289 HZ3 LYS 32 HZ3 LYS 32 -13.012 2.521 6.406 290 H ARG 33 H ARG 33 -8.790 4.269 7.340 291 HA ARG 33 HA ARG 33 -6.102 3.563 8.329 292 HB2 ARG 33 HB2 ARG 33 -6.630 5.910 6.434 293 HB3 ARG 33 HB3 ARG 33 -5.120 5.620 7.281 294 HG2 ARG 33 HG2 ARG 33 -6.252 3.727 5.196 295 HG3 ARG 33 HG3 ARG 33 -5.165 5.053 4.800 296 HD2 ARG 33 HD2 ARG 33 -3.606 3.361 4.961 297 HD3 ARG 33 HD3 ARG 33 -3.631 3.830 6.658 298 HE ARG 33 HE ARG 33 -5.449 1.700 5.873 299 HH11 ARG 33 HH11 ARG 33 -2.469 2.478 7.455 300 HH12 ARG 33 HH12 ARG 33 -2.199 0.851 7.965 301 HH21 ARG 33 HH21 ARG 33 -5.083 -0.350 6.556 302 HH22 ARG 33 HH22 ARG 33 -3.661 -0.728 7.466 303 H GLY 34 H GLY 34 -5.243 5.404 9.704 304 HA2 GLY 34 HA2 GLY 34 -7.174 6.705 11.366 305 HA3 GLY 34 HA3 GLY 34 -5.437 6.975 11.371 306 H ILE 35 H ILE 35 -4.747 8.060 9.107 307 HA ILE 35 HA ILE 35 -6.225 10.616 8.953 308 HB ILE 35 HB ILE 35 -4.146 11.510 7.846 309 HG12 ILE 35 HG12 ILE 35 -2.924 8.803 8.582 310 HG13 ILE 35 HG13 ILE 35 -3.286 9.334 6.945 311 HG21 ILE 35 HG21 ILE 35 -2.812 11.651 9.902 312 HG22 ILE 35 HG22 ILE 35 -3.707 10.301 10.600 313 HG23 ILE 35 HG23 ILE 35 -4.533 11.822 10.252 314 HD11 ILE 35 HD11 ILE 35 -1.637 11.131 7.182 315 HD12 ILE 35 HD12 ILE 35 -0.939 9.529 7.414 316 HD13 ILE 35 HD13 ILE 35 -1.264 10.555 8.809 317 H LEU 36 H LEU 36 -6.847 11.568 7.031 318 HA LEU 36 HA LEU 36 -7.417 9.899 4.769 319 HB2 LEU 36 HB2 LEU 36 -7.828 12.863 5.231 320 HB3 LEU 36 HB3 LEU 36 -8.256 12.078 3.725 321 HG LEU 36 HG LEU 36 -10.267 12.325 4.994 322 HD11 LEU 36 HD11 LEU 36 -11.068 10.030 5.227 323 HD12 LEU 36 HD12 LEU 36 -9.408 9.428 5.189 324 HD13 LEU 36 HD13 LEU 36 -10.094 10.225 3.769 325 HD21 LEU 36 HD21 LEU 36 -10.614 11.443 7.253 326 HD22 LEU 36 HD22 LEU 36 -9.334 12.653 7.225 327 HD23 LEU 36 HD23 LEU 36 -8.921 10.939 7.331 328 H GLU 37 H GLU 37 -4.693 11.825 5.609 329 HA GLU 37 HA GLU 37 -3.670 12.508 3.069 330 HB2 GLU 37 HB2 GLU 37 -2.102 11.828 5.598 331 HB3 GLU 37 HB3 GLU 37 -1.462 12.670 4.186 332 HG2 GLU 37 HG2 GLU 37 -3.130 14.501 4.600 333 HG3 GLU 37 HG3 GLU 37 -3.614 13.669 6.078 334 H THR 38 H THR 38 -3.020 9.623 5.088 335 HA THR 38 HA THR 38 -1.543 8.167 3.109 336 HB THR 38 HB THR 38 -2.992 7.057 5.555 337 HG1 THR 38 HG1 THR 38 -0.260 7.412 5.668 338 HG21 THR 38 HG21 THR 38 -2.318 5.280 3.966 339 HG22 THR 38 HG22 THR 38 -1.333 5.222 5.434 340 HG23 THR 38 HG23 THR 38 -0.668 5.915 3.953 341 H ASP 39 H ASP 39 -4.969 8.317 4.034 342 HA ASP 39 HA ASP 39 -6.031 6.138 2.664 343 HB2 ASP 39 HB2 ASP 39 -7.374 7.483 4.221 344 HB3 ASP 39 HB3 ASP 39 -7.272 8.877 3.152 345 H LEU 40 H LEU 40 -5.734 9.514 1.398 346 HA LEU 40 HA LEU 40 -6.651 9.087 -1.216 347 HB2 LEU 40 HB2 LEU 40 -4.609 11.093 -0.187 348 HB3 LEU 40 HB3 LEU 40 -5.304 11.159 -1.802 349 HG LEU 40 HG LEU 40 -6.858 11.463 0.804 350 HD11 LEU 40 HD11 LEU 40 -5.452 13.414 0.355 351 HD12 LEU 40 HD12 LEU 40 -7.155 13.807 0.148 352 HD13 LEU 40 HD13 LEU 40 -6.130 13.559 -1.270 353 HD21 LEU 40 HD21 LEU 40 -8.775 12.069 -0.644 354 HD22 LEU 40 HD22 LEU 40 -8.250 10.407 -0.893 355 HD23 LEU 40 HD23 LEU 40 -7.821 11.650 -2.071 356 H LEU 41 H LEU 41 -3.384 8.748 0.090 357 HA LEU 41 HA LEU 41 -1.965 8.282 -2.301 358 HB2 LEU 41 HB2 LEU 41 -0.845 8.855 -0.217 359 HB3 LEU 41 HB3 LEU 41 -1.402 7.371 0.539 360 HG LEU 41 HG LEU 41 0.066 6.025 -0.904 361 HD11 LEU 41 HD11 LEU 41 1.661 7.052 -2.473 362 HD12 LEU 41 HD12 LEU 41 0.924 8.633 -2.201 363 HD13 LEU 41 HD13 LEU 41 -0.009 7.341 -2.963 364 HD21 LEU 41 HD21 LEU 41 1.564 8.345 0.351 365 HD22 LEU 41 HD22 LEU 41 2.243 6.763 -0.047 366 HD23 LEU 41 HD23 LEU 41 0.997 6.898 1.193 367 H LEU 42 H LEU 42 -3.196 5.915 0.065 368 HA LEU 42 HA LEU 42 -2.541 3.602 -1.499 369 HB2 LEU 42 HB2 LEU 42 -4.181 3.974 1.020 370 HB3 LEU 42 HB3 LEU 42 -3.864 2.400 0.306 371 HG LEU 42 HG LEU 42 -1.757 4.295 1.427 372 HD11 LEU 42 HD11 LEU 42 -1.417 2.568 3.141 373 HD12 LEU 42 HD12 LEU 42 -2.759 1.630 2.481 374 HD13 LEU 42 HD13 LEU 42 -3.052 3.222 3.188 375 HD21 LEU 42 HD21 LEU 42 -0.131 2.479 0.994 376 HD22 LEU 42 HD22 LEU 42 -0.844 3.083 -0.498 377 HD23 LEU 42 HD23 LEU 42 -1.387 1.544 0.176 378 H SER 43 H SER 43 -5.417 5.559 -1.191 379 HA SER 43 HA SER 43 -7.358 3.814 -2.273 380 HB2 SER 43 HB2 SER 43 -7.154 6.837 -2.177 381 HB3 SER 43 HB3 SER 43 -8.525 6.040 -2.957 382 HG SER 43 HG SER 43 -8.059 6.450 -0.328 383 H GLY 44 H GLY 44 -5.385 6.322 -3.909 384 HA2 GLY 44 HA2 GLY 44 -6.068 5.630 -6.588 385 HA3 GLY 44 HA3 GLY 44 -4.663 6.558 -6.084 386 H PHE 45 H PHE 45 -3.388 4.639 -4.464 387 HA PHE 45 HA PHE 45 -1.837 3.202 -6.343 388 HB2 PHE 45 HB2 PHE 45 -1.063 4.054 -4.094 389 HB3 PHE 45 HB3 PHE 45 -1.970 2.761 -3.326 390 HD1 PHE 45 HD1 PHE 45 1.049 3.587 -5.300 391 HD2 PHE 45 HD2 PHE 45 -1.151 0.432 -3.428 392 HE1 PHE 45 HE1 PHE 45 2.986 2.101 -5.500 393 HE2 PHE 45 HE2 PHE 45 0.804 -1.042 -3.635 394 HZ PHE 45 HZ PHE 45 2.875 -0.208 -4.670 395 H ALA 46 H ALA 46 -4.380 2.113 -4.109 396 HA ALA 46 HA ALA 46 -4.089 -0.681 -4.618 397 HB1 ALA 46 HB1 ALA 46 -6.468 0.779 -3.428 398 HB2 ALA 46 HB2 ALA 46 -5.058 0.220 -2.529 399 HB3 ALA 46 HB3 ALA 46 -6.120 -0.950 -3.306 400 H ALA 47 H ALA 47 -6.390 1.772 -5.785 401 HA ALA 47 HA ALA 47 -8.033 0.074 -7.351 402 HB1 ALA 47 HB1 ALA 47 -8.716 2.316 -6.600 403 HB2 ALA 47 HB2 ALA 47 -8.881 2.155 -8.350 404 HB3 ALA 47 HB3 ALA 47 -7.518 3.050 -7.667 405 H LYS 48 H LYS 48 -4.958 1.595 -8.034 406 HA LYS 48 HA LYS 48 -5.088 1.211 -10.934 407 HB2 LYS 48 HB2 LYS 48 -4.113 3.258 -9.815 408 HB3 LYS 48 HB3 LYS 48 -2.807 2.250 -9.205 409 HG2 LYS 48 HG2 LYS 48 -2.086 1.782 -11.525 410 HG3 LYS 48 HG3 LYS 48 -3.417 2.777 -12.134 411 HD2 LYS 48 HD2 LYS 48 -2.437 4.726 -10.837 412 HD3 LYS 48 HD3 LYS 48 -1.048 3.705 -10.462 413 HE2 LYS 48 HE2 LYS 48 -0.587 3.486 -12.891 414 HE3 LYS 48 HE3 LYS 48 -1.956 4.544 -13.232 415 HZ1 LYS 48 HZ1 LYS 48 -0.832 6.295 -11.976 416 HZ2 LYS 48 HZ2 LYS 48 0.088 5.767 -13.293 417 HZ3 LYS 48 HZ3 LYS 48 0.494 5.273 -11.731 418 H TYR 49 H TYR 49 -2.971 0.125 -8.255 419 HA TYR 49 HA TYR 49 -1.287 -1.443 -9.958 420 HB2 TYR 49 HB2 TYR 49 -1.380 -0.979 -6.968 421 HB3 TYR 49 HB3 TYR 49 -0.280 -2.166 -7.665 422 HD1 TYR 49 HD1 TYR 49 -1.257 1.459 -8.168 423 HD2 TYR 49 HD2 TYR 49 1.877 -1.449 -8.222 424 HE1 TYR 49 HE1 TYR 49 0.389 3.228 -8.625 425 HE2 TYR 49 HE2 TYR 49 3.508 0.320 -8.680 426 HH TYR 49 HH TYR 49 2.943 3.522 -8.251 427 H LEU 50 H LEU 50 -3.791 -2.355 -7.532 428 HA LEU 50 HA LEU 50 -3.137 -5.117 -7.494 429 HB2 LEU 50 HB2 LEU 50 -5.585 -3.604 -6.629 430 HB3 LEU 50 HB3 LEU 50 -5.642 -5.358 -6.679 431 HG LEU 50 HG LEU 50 -3.585 -5.365 -5.170 432 HD11 LEU 50 HD11 LEU 50 -3.135 -3.409 -3.807 433 HD12 LEU 50 HD12 LEU 50 -4.298 -2.468 -4.739 434 HD13 LEU 50 HD13 LEU 50 -2.827 -3.070 -5.512 435 HD21 LEU 50 HD21 LEU 50 -6.137 -4.203 -4.054 436 HD22 LEU 50 HD22 LEU 50 -4.877 -5.025 -3.136 437 HD23 LEU 50 HD23 LEU 50 -5.804 -5.912 -4.342 438 H LYS 51 H LYS 51 -5.102 -3.343 -9.758 439 HA LYS 51 HA LYS 51 -6.450 -5.532 -10.979 440 HB2 LYS 51 HB2 LYS 51 -5.877 -2.678 -11.751 441 HB3 LYS 51 HB3 LYS 51 -6.369 -3.773 -13.036 442 HG2 LYS 51 HG2 LYS 51 -8.275 -2.519 -12.136 443 HG3 LYS 51 HG3 LYS 51 -8.465 -4.258 -11.902 444 HD2 LYS 51 HD2 LYS 51 -7.774 -3.994 -9.518 445 HD3 LYS 51 HD3 LYS 51 -7.614 -2.251 -9.767 446 HE2 LYS 51 HE2 LYS 51 -9.763 -2.805 -8.690 447 HE3 LYS 51 HE3 LYS 51 -10.026 -2.101 -10.286 448 HZ1 LYS 51 HZ1 LYS 51 -10.395 -4.308 -11.178 449 HZ2 LYS 51 HZ2 LYS 51 -11.446 -4.026 -9.886 450 HZ3 LYS 51 HZ3 LYS 51 -10.090 -5.011 -9.668 451 H LYS 52 H LYS 52 -3.318 -3.961 -11.688 452 HA LYS 52 HA LYS 52 -2.744 -5.831 -13.864 453 HB2 LYS 52 HB2 LYS 52 -0.765 -4.440 -14.293 454 HB3 LYS 52 HB3 LYS 52 -2.234 -3.477 -14.224 455 HG2 LYS 52 HG2 LYS 52 -1.583 -2.855 -11.840 456 HG3 LYS 52 HG3 LYS 52 -0.023 -3.631 -12.144 457 HD2 LYS 52 HD2 LYS 52 0.332 -2.067 -14.069 458 HD3 LYS 52 HD3 LYS 52 -1.198 -1.273 -13.680 459 HE2 LYS 52 HE2 LYS 52 0.604 0.058 -12.768 460 HE3 LYS 52 HE3 LYS 52 -0.246 -0.694 -11.421 461 HZ1 LYS 52 HZ1 LYS 52 2.182 -0.768 -11.202 462 HZ2 LYS 52 HZ2 LYS 52 2.291 -1.715 -12.601 463 HZ3 LYS 52 HZ3 LYS 52 1.506 -2.317 -11.227 464 H MET 53 H MET 53 -2.061 -5.634 -10.471 465 HA MET 53 HA MET 53 0.385 -7.220 -10.575 466 HB2 MET 53 HB2 MET 53 -1.224 -6.139 -8.237 467 HB3 MET 53 HB3 MET 53 0.088 -7.287 -7.999 468 HG2 MET 53 HG2 MET 53 1.587 -5.645 -9.215 469 HG3 MET 53 HG3 MET 53 0.276 -4.476 -9.083 470 HE1 MET 53 HE1 MET 53 0.029 -4.298 -5.063 471 HE2 MET 53 HE2 MET 53 -0.812 -5.482 -6.065 472 HE3 MET 53 HE3 MET 53 -0.750 -3.788 -6.562 473 H ASN 54 H ASN 54 0.588 -9.304 -10.270 474 HA ASN 54 HA ASN 54 -1.681 -11.107 -10.138 475 HB2 ASN 54 HB2 ASN 54 1.325 -11.562 -10.246 476 HB3 ASN 54 HB3 ASN 54 0.170 -12.882 -10.091 477 HD21 ASN 54 HD21 ASN 54 0.851 -13.762 -12.030 478 HD22 ASN 54 HD22 ASN 54 0.440 -13.079 -13.553 479 H GLU 55 H GLU 55 -1.535 -12.977 -8.574 480 HA GLU 55 HA GLU 55 -2.079 -12.089 -5.976 481 HB2 GLU 55 HB2 GLU 55 -1.465 -14.903 -6.970 482 HB3 GLU 55 HB3 GLU 55 -2.163 -14.533 -5.400 483 HG2 GLU 55 HG2 GLU 55 -3.901 -15.283 -6.880 484 HG3 GLU 55 HG3 GLU 55 -4.152 -13.587 -6.502 485 H GLU 56 H GLU 56 0.869 -13.332 -7.367 486 HA GLU 56 HA GLU 56 2.369 -13.889 -5.033 487 HB2 GLU 56 HB2 GLU 56 3.650 -12.954 -7.619 488 HB3 GLU 56 HB3 GLU 56 4.234 -14.150 -6.469 489 HG2 GLU 56 HG2 GLU 56 2.048 -14.461 -8.555 490 HG3 GLU 56 HG3 GLU 56 3.591 -15.308 -8.467 491 H GLU 57 H GLU 57 1.966 -10.963 -6.956 492 HA GLU 57 HA GLU 57 3.707 -9.287 -5.368 493 HB2 GLU 57 HB2 GLU 57 1.640 -8.496 -7.460 494 HB3 GLU 57 HB3 GLU 57 2.988 -7.512 -6.886 495 HG2 GLU 57 HG2 GLU 57 4.586 -9.124 -7.856 496 HG3 GLU 57 HG3 GLU 57 3.254 -10.130 -8.410 497 H LEU 58 H LEU 58 0.186 -9.730 -5.631 498 HA LEU 58 HA LEU 58 -0.825 -7.738 -3.976 499 HB2 LEU 58 HB2 LEU 58 -1.912 -10.564 -4.240 500 HB3 LEU 58 HB3 LEU 58 -2.812 -9.174 -3.645 501 HG LEU 58 HG LEU 58 -1.782 -9.539 -6.482 502 HD11 LEU 58 HD11 LEU 58 -4.134 -9.739 -7.101 503 HD12 LEU 58 HD12 LEU 58 -4.606 -9.630 -5.400 504 HD13 LEU 58 HD13 LEU 58 -3.657 -11.006 -5.970 505 HD21 LEU 58 HD21 LEU 58 -1.751 -7.175 -5.864 506 HD22 LEU 58 HD22 LEU 58 -3.432 -7.272 -5.336 507 HD23 LEU 58 HD23 LEU 58 -3.025 -7.503 -7.038 508 H GLU 59 H GLU 59 0.467 -10.898 -2.963 509 HA GLU 59 HA GLU 59 -0.419 -10.800 -0.257 510 HB2 GLU 59 HB2 GLU 59 1.186 -12.657 0.125 511 HB3 GLU 59 HB3 GLU 59 0.170 -12.914 -1.288 512 HG2 GLU 59 HG2 GLU 59 2.084 -12.069 -2.708 513 HG3 GLU 59 HG3 GLU 59 3.083 -12.072 -1.255 514 H GLU 60 H GLU 60 2.461 -9.489 -1.834 515 HA GLU 60 HA GLU 60 3.800 -8.635 0.560 516 HB2 GLU 60 HB2 GLU 60 5.034 -8.837 -1.565 517 HB3 GLU 60 HB3 GLU 60 4.007 -7.622 -2.308 518 HG2 GLU 60 HG2 GLU 60 6.086 -6.571 -1.815 519 HG3 GLU 60 HG3 GLU 60 4.906 -5.936 -0.676 520 H TYR 61 H TYR 61 1.344 -7.203 -1.576 521 HA TYR 61 HA TYR 61 1.250 -4.613 -0.425 522 HB2 TYR 61 HB2 TYR 61 0.229 -5.170 -2.627 523 HB3 TYR 61 HB3 TYR 61 -1.011 -6.112 -1.805 524 HD1 TYR 61 HD2 TYR 61 0.438 -2.656 -1.908 525 HD2 TYR 61 HD1 TYR 61 -3.044 -5.027 -1.174 526 HE1 TYR 61 HE2 TYR 61 -0.895 -0.621 -1.663 527 HE2 TYR 61 HE1 TYR 61 -4.377 -2.983 -0.910 528 HH TYR 61 HH TYR 61 -4.277 -0.723 -0.741 529 H ASP 62 H ASP 62 -0.378 -7.618 0.425 530 HA ASP 62 HA ASP 62 -2.106 -6.744 2.449 531 HB2 ASP 62 HB2 ASP 62 -2.162 -8.999 1.436 532 HB3 ASP 62 HB3 ASP 62 -0.615 -9.391 2.183 533 H SER 63 H SER 63 1.366 -7.389 2.532 534 HA SER 63 HA SER 63 1.824 -7.241 5.333 535 HB2 SER 63 HB2 SER 63 3.770 -6.452 3.126 536 HB3 SER 63 HB3 SER 63 4.183 -6.945 4.770 537 HG SER 63 HG SER 63 4.153 -8.496 2.780 538 H LEU 64 H LEU 64 1.609 -4.738 2.822 539 HA LEU 64 HA LEU 64 2.633 -2.548 4.336 540 HB2 LEU 64 HB2 LEU 64 2.552 -2.674 1.834 541 HB3 LEU 64 HB3 LEU 64 0.808 -2.502 1.907 542 HG LEU 64 HG LEU 64 1.109 -0.228 2.924 543 HD11 LEU 64 HD11 LEU 64 4.062 -0.644 2.367 544 HD12 LEU 64 HD12 LEU 64 3.301 -0.498 3.954 545 HD13 LEU 64 HD13 LEU 64 3.308 0.878 2.855 546 HD21 LEU 64 HD21 LEU 64 2.445 -0.586 0.217 547 HD22 LEU 64 HD22 LEU 64 1.789 0.926 0.852 548 HD23 LEU 64 HD23 LEU 64 0.711 -0.425 0.515 549 H LEU 65 H LEU 65 -0.559 -3.941 3.999 550 HA LEU 65 HA LEU 65 -2.151 -1.829 5.053 551 HB2 LEU 65 HB2 LEU 65 -2.702 -4.819 5.133 552 HB3 LEU 65 HB3 LEU 65 -3.904 -3.537 5.286 553 HG LEU 65 HG LEU 65 -2.259 -4.134 2.791 554 HD11 LEU 65 HD11 LEU 65 -3.925 -5.865 3.221 555 HD12 LEU 65 HD12 LEU 65 -4.331 -4.919 1.793 556 HD13 LEU 65 HD13 LEU 65 -5.197 -4.641 3.306 557 HD21 LEU 65 HD21 LEU 65 -3.698 -2.485 1.655 558 HD22 LEU 65 HD22 LEU 65 -2.751 -1.743 2.941 559 HD23 LEU 65 HD23 LEU 65 -4.465 -2.083 3.196 560 H ASN 66 H ASN 66 -0.137 -4.209 6.567 561 HA ASN 66 HA ASN 66 -1.279 -4.177 9.216 562 HB2 ASN 66 HB2 ASN 66 1.484 -5.118 8.330 563 HB3 ASN 66 HB3 ASN 66 0.645 -5.577 9.811 564 HD21 ASN 66 HD21 ASN 66 1.670 -7.189 7.539 565 HD22 ASN 66 HD22 ASN 66 0.321 -8.114 6.994 566 H GLU 67 H GLU 67 0.784 -2.044 7.516 567 HA GLU 67 HA GLU 67 2.466 -1.226 9.744 568 HB2 GLU 67 HB2 GLU 67 2.259 0.105 7.001 569 HB3 GLU 67 HB3 GLU 67 3.598 0.198 8.142 570 HG2 GLU 67 HG2 GLU 67 2.756 -2.208 6.491 571 HG3 GLU 67 HG3 GLU 67 4.196 -1.222 6.265 572 H LEU 68 H LEU 68 2.606 0.965 10.500 573 HA LEU 68 HA LEU 68 0.188 2.242 11.179 574 HB2 LEU 68 HB2 LEU 68 2.686 2.321 12.200 575 HB3 LEU 68 HB3 LEU 68 2.796 3.769 11.225 576 HG LEU 68 HG LEU 68 0.817 3.272 13.480 577 HD11 LEU 68 HD11 LEU 68 3.090 3.594 14.312 578 HD12 LEU 68 HD12 LEU 68 2.092 4.987 14.722 579 HD13 LEU 68 HD13 LEU 68 3.247 5.091 13.388 580 HD21 LEU 68 HD21 LEU 68 1.193 5.799 11.823 581 HD22 LEU 68 HD22 LEU 68 0.184 5.669 13.268 582 HD23 LEU 68 HD23 LEU 68 -0.225 4.748 11.824 583 H ASP 69 H ASP 69 -0.936 3.845 10.190 584 HA ASP 69 HA ASP 69 -0.957 4.508 7.540 585 HB2 ASP 69 HB2 ASP 69 -1.674 6.636 9.589 586 HB3 ASP 69 HB3 ASP 69 -2.469 6.280 8.054 587 H TRP 70 H TRP 70 0.479 6.594 10.069 588 HA TRP 70 HA TRP 70 1.676 8.550 8.502 589 HB2 TRP 70 HB2 TRP 70 2.435 7.442 11.228 590 HB3 TRP 70 HB3 TRP 70 3.290 8.802 10.505 591 HD1 TRP 70 HD1 TRP 70 0.395 8.134 12.720 592 HE1 TRP 70 HE1 TRP 70 -1.068 10.238 12.949 593 HE3 TRP 70 HE3 TRP 70 2.331 10.914 8.871 594 HZ2 TRP 70 HZ2 TRP 70 -1.373 12.739 11.661 595 HZ3 TRP 70 HZ3 TRP 70 1.388 13.141 8.427 596 HH2 TRP 70 HH2 TRP 70 -0.437 14.026 9.780 597 H ASP 71 H ASP 71 3.090 5.434 9.592 598 HA ASP 71 HA ASP 71 5.690 5.810 8.564 599 HB2 ASP 71 HB2 ASP 71 4.072 3.370 9.366 600 HB3 ASP 71 HB3 ASP 71 5.683 3.187 8.680 601 H ILE 72 H ILE 72 2.893 4.088 7.100 602 HA ILE 72 HA ILE 72 3.949 3.306 4.642 603 HB ILE 72 HB ILE 72 1.146 4.411 5.163 604 HG12 ILE 72 HG12 ILE 72 2.067 1.500 5.209 605 HG13 ILE 72 HG13 ILE 72 1.775 2.477 6.642 606 HG21 ILE 72 HG21 ILE 72 2.086 2.651 2.863 607 HG22 ILE 72 HG22 ILE 72 1.606 4.345 2.748 608 HG23 ILE 72 HG23 ILE 72 0.413 3.120 3.178 609 HD11 ILE 72 HD11 ILE 72 -0.084 0.989 6.191 610 HD12 ILE 72 HD12 ILE 72 -0.294 1.694 4.589 611 HD13 ILE 72 HD13 ILE 72 -0.590 2.670 6.031 612 H TYR 73 H TYR 73 2.510 6.419 5.549 613 HA TYR 73 HA TYR 73 2.657 7.692 3.014 614 HB2 TYR 73 HB2 TYR 73 1.082 8.308 4.863 615 HB3 TYR 73 HB3 TYR 73 2.438 8.934 5.790 616 HD1 TYR 73 HD2 TYR 73 0.509 9.428 2.616 617 HD2 TYR 73 HD1 TYR 73 3.167 11.208 5.461 618 HE1 TYR 73 HE2 TYR 73 0.189 11.620 1.547 619 HE2 TYR 73 HE1 TYR 73 2.846 13.397 4.388 620 HH TYR 73 HH TYR 73 0.388 14.022 2.145 621 H TYR 74 H TYR 74 4.866 7.649 5.824 622 HA TYR 74 HA TYR 74 6.557 9.782 4.847 623 HB2 TYR 74 HB2 TYR 74 6.807 7.881 7.198 624 HB3 TYR 74 HB3 TYR 74 8.085 9.018 6.790 625 HD1 TYR 74 HD1 TYR 74 6.665 11.484 6.089 626 HD2 TYR 74 HD2 TYR 74 5.817 8.675 9.195 627 HE1 TYR 74 HE1 TYR 74 5.595 13.259 7.407 628 HE2 TYR 74 HE2 TYR 74 4.743 10.441 10.503 629 HH TYR 74 HH TYR 74 3.897 13.450 9.223 630 H TRP 75 H TRP 75 6.921 6.208 4.987 631 HA TRP 75 HA TRP 75 9.501 6.062 3.818 632 HB2 TRP 75 HB2 TRP 75 7.251 4.035 3.515 633 HB3 TRP 75 HB3 TRP 75 8.962 3.727 3.248 634 HD1 TRP 75 HD1 TRP 75 9.882 5.189 6.105 635 HE1 TRP 75 HE1 TRP 75 9.500 3.840 8.257 636 HE3 TRP 75 HE3 TRP 75 6.371 1.880 4.395 637 HZ2 TRP 75 HZ2 TRP 75 7.939 1.674 9.122 638 HZ3 TRP 75 HZ3 TRP 75 5.487 0.193 5.955 639 HH2 TRP 75 HH2 TRP 75 6.257 0.093 8.274 640 H ALA 76 H ALA 76 6.264 6.243 2.442 641 HA ALA 76 HA ALA 76 6.826 5.932 -0.310 642 HB1 ALA 76 HB1 ALA 76 4.617 6.930 -0.645 643 HB2 ALA 76 HB2 ALA 76 4.609 7.518 1.019 644 HB3 ALA 76 HB3 ALA 76 4.578 5.785 0.695 645 H THR 77 H THR 77 6.509 8.899 1.672 646 HA THR 77 HA THR 77 7.356 10.692 -0.462 647 HB THR 77 HB THR 77 7.205 12.490 1.269 648 HG1 THR 77 HG1 THR 77 6.075 10.792 3.172 649 HG21 THR 77 HG21 THR 77 4.776 10.653 1.232 650 HG22 THR 77 HG22 THR 77 5.159 11.886 0.026 651 HG23 THR 77 HG23 THR 77 4.772 12.360 1.681 652 H LYS 78 H LYS 78 9.025 8.619 1.497 653 HA LYS 78 HA LYS 78 11.203 8.101 1.619 654 HB2 LYS 78 HB2 LYS 78 11.197 9.677 -0.636 655 HB3 LYS 78 HB3 LYS 78 12.317 10.584 0.367 656 HG2 LYS 78 HG2 LYS 78 13.675 8.469 0.632 657 HG3 LYS 78 HG3 LYS 78 12.581 7.688 -0.520 658 HD2 LYS 78 HD2 LYS 78 13.191 9.505 -2.189 659 HD3 LYS 78 HD3 LYS 78 14.416 10.066 -1.045 660 HE2 LYS 78 HE2 LYS 78 15.488 8.666 -2.702 661 HE3 LYS 78 HE3 LYS 78 15.474 7.784 -1.174 662 HZ1 LYS 78 HZ1 LYS 78 13.583 7.396 -3.433 663 HZ2 LYS 78 HZ2 LYS 78 13.530 6.561 -1.969 664 HZ3 LYS 78 HZ3 LYS 78 14.848 6.364 -3.005 665 H ASN 79 H ASN 79 9.747 10.223 3.413 666 HA ASN 79 HA ASN 79 11.971 11.431 4.865 667 HB2 ASN 79 HB2 ASN 79 9.853 12.694 4.600 668 HB3 ASN 79 HB3 ASN 79 8.968 11.428 5.444 669 HD21 ASN 79 HD21 ASN 79 8.271 12.940 7.004 670 HD22 ASN 79 HD22 ASN 79 9.318 13.553 8.228 671 H PHE 80 H PHE 80 13.115 9.590 5.554 672 HA PHE 80 HA PHE 80 11.845 7.553 7.235 673 HB2 PHE 80 HB2 PHE 80 14.742 7.822 6.318 674 HB3 PHE 80 HB3 PHE 80 14.062 6.434 7.161 675 HD1 PHE 80 HD1 PHE 80 12.004 5.271 5.995 676 HD2 PHE 80 HD2 PHE 80 14.798 7.782 3.947 677 HE1 PHE 80 HE1 PHE 80 11.375 4.237 3.859 678 HE2 PHE 80 HE2 PHE 80 14.156 6.741 1.811 679 HZ PHE 80 HZ PHE 80 12.443 4.969 1.763 680 H LYS 81 H LYS 81 12.806 10.571 7.967 681 HA LYS 81 HA LYS 81 14.640 10.349 10.119 682 HB2 LYS 81 HB2 LYS 81 12.498 12.492 9.803 683 HB3 LYS 81 HB3 LYS 81 14.003 12.629 10.707 684 HG2 LYS 81 HG2 LYS 81 15.285 12.569 8.605 685 HG3 LYS 81 HG3 LYS 81 13.783 12.349 7.690 686 HD2 LYS 81 HD2 LYS 81 12.978 14.561 8.612 687 HD3 LYS 81 HD3 LYS 81 14.570 14.788 9.345 688 HE2 LYS 81 HE2 LYS 81 15.589 14.725 7.074 689 HE3 LYS 81 HE3 LYS 81 13.981 14.544 6.367 690 HZ1 LYS 81 HZ1 LYS 81 14.841 16.840 6.355 691 HZ2 LYS 81 HZ2 LYS 81 14.820 16.842 8.043 692 HZ3 LYS 81 HZ3 LYS 81 13.375 16.689 7.182 693 H THR 82 H THR 82 11.105 10.943 10.277 694 HA THR 82 HA THR 82 10.926 10.343 13.119 695 HB THR 82 HB THR 82 9.517 12.126 12.323 696 HG1 THR 82 HG1 THR 82 7.433 10.347 12.621 697 HG21 THR 82 HG21 THR 82 7.709 11.822 10.664 698 HG22 THR 82 HG22 THR 82 8.228 10.158 10.394 699 HG23 THR 82 HG23 THR 82 9.294 11.495 9.949 700 H SER 83 H SER 83 10.005 8.741 10.101 701 HA SER 83 HA SER 83 9.183 6.300 11.575 702 HB2 SER 83 HB2 SER 83 8.215 7.373 8.893 703 HB3 SER 83 HB3 SER 83 7.864 5.738 9.469 704 HG SER 83 HG SER 83 6.398 6.535 10.735 705 HA PRO 84 HA PRO 84 13.112 5.030 9.506 706 HB2 PRO 84 HB2 PRO 84 13.144 2.881 11.567 707 HB3 PRO 84 HB3 PRO 84 14.335 4.147 11.249 708 HG2 PRO 84 HG2 PRO 84 12.780 4.196 13.460 709 HG3 PRO 84 HG3 PRO 84 13.276 5.690 12.637 710 HD2 PRO 84 HD2 PRO 84 10.639 4.210 12.437 711 HD3 PRO 84 HD3 PRO 84 10.945 5.953 12.653 712 H LEU 85 H LEU 85 13.610 3.260 8.152 713 HA LEU 85 HA LEU 85 11.322 1.771 7.192 714 HB2 LEU 85 HB2 LEU 85 13.044 2.964 5.730 715 HB3 LEU 85 HB3 LEU 85 14.177 1.687 6.147 716 HG LEU 85 HG LEU 85 12.575 0.013 5.153 717 HD11 LEU 85 HD11 LEU 85 10.491 1.267 5.375 718 HD12 LEU 85 HD12 LEU 85 10.757 0.833 3.691 719 HD13 LEU 85 HD13 LEU 85 11.065 2.484 4.232 720 HD21 LEU 85 HD21 LEU 85 13.537 2.180 3.257 721 HD22 LEU 85 HD22 LEU 85 13.077 0.537 2.797 722 HD23 LEU 85 HD23 LEU 85 14.477 0.801 3.835 723 HA PRO 86 HA PRO 86 12.551 -2.131 9.342 724 HB2 PRO 86 HB2 PRO 86 10.245 -3.217 7.763 725 HB3 PRO 86 HB3 PRO 86 10.539 -3.277 9.507 726 HG2 PRO 86 HG2 PRO 86 8.665 -1.653 8.503 727 HG3 PRO 86 HG3 PRO 86 9.689 -1.120 9.859 728 HD2 PRO 86 HD2 PRO 86 9.981 -0.484 6.906 729 HD3 PRO 86 HD3 PRO 86 10.036 0.622 8.299 730 H ASP 87 H ASP 87 13.326 -4.188 8.634 731 HA ASP 87 HA ASP 87 15.011 -4.096 6.371 732 HB2 ASP 87 HB2 ASP 87 14.216 -6.489 8.088 733 HB3 ASP 87 HB3 ASP 87 15.575 -6.458 6.965 734 H LYS 88 H LYS 88 11.904 -5.752 6.859 735 HA LYS 88 HA LYS 88 11.725 -7.237 4.489 736 HB2 LYS 88 HB2 LYS 88 9.280 -7.237 4.872 737 HB3 LYS 88 HB3 LYS 88 10.177 -7.541 6.356 738 HG2 LYS 88 HG2 LYS 88 9.841 -5.153 7.014 739 HG3 LYS 88 HG3 LYS 88 8.866 -4.916 5.558 740 HD2 LYS 88 HD2 LYS 88 7.220 -6.558 6.364 741 HD3 LYS 88 HD3 LYS 88 8.212 -6.890 7.791 742 HE2 LYS 88 HE2 LYS 88 7.920 -4.526 8.507 743 HE3 LYS 88 HE3 LYS 88 6.887 -4.242 7.105 744 HZ1 LYS 88 HZ1 LYS 88 5.388 -5.965 7.985 745 HZ2 LYS 88 HZ2 LYS 88 5.541 -4.620 8.992 746 HZ3 LYS 88 HZ3 LYS 88 6.346 -6.061 9.377 747 H TRP 89 H TRP 89 11.314 -3.773 4.931 748 HA TRP 89 HA TRP 89 10.196 -3.431 2.223 749 HB2 TRP 89 HB2 TRP 89 10.603 -1.385 4.438 750 HB3 TRP 89 HB3 TRP 89 9.881 -1.047 2.867 751 HD1 TRP 89 HD1 TRP 89 8.765 -1.552 6.224 752 HE1 TRP 89 HE1 TRP 89 6.372 -2.451 6.356 753 HE3 TRP 89 HE3 TRP 89 8.226 -3.156 1.390 754 HZ2 TRP 89 HZ2 TRP 89 4.500 -3.711 4.659 755 HZ3 TRP 89 HZ3 TRP 89 6.103 -4.203 0.727 756 HH2 TRP 89 HH2 TRP 89 4.277 -4.473 2.328 757 H ALA 90 H ALA 90 13.241 -3.313 3.825 758 HA ALA 90 HA ALA 90 14.673 -1.425 2.303 759 HB1 ALA 90 HB1 ALA 90 15.698 -4.041 3.475 760 HB2 ALA 90 HB2 ALA 90 15.583 -2.500 4.327 761 HB3 ALA 90 HB3 ALA 90 16.692 -2.672 2.966 762 H ASN 91 H ASN 91 14.441 -1.358 0.137 763 HA ASN 91 HA ASN 91 14.679 -1.759 -2.067 764 HB2 ASN 91 HB2 ASN 91 16.257 -4.226 -1.219 765 HB3 ASN 91 HB3 ASN 91 16.190 -3.591 -2.864 766 HD21 ASN 91 HD21 ASN 91 18.484 -3.882 -0.977 767 HD22 ASN 91 HD22 ASN 91 19.180 -2.303 -0.880 768 H SER 92 H SER 92 12.513 -3.159 -0.358 769 HA SER 92 HA SER 92 11.481 -5.347 -1.869 770 HB2 SER 92 HB2 SER 92 10.608 -4.945 0.365 771 HB3 SER 92 HB3 SER 92 10.064 -3.328 -0.071 772 HG SER 92 HG SER 92 8.580 -5.381 -0.089 773 H LYS 93 H LYS 93 10.139 -5.426 -3.670 774 HA LYS 93 HA LYS 93 10.200 -3.404 -5.608 775 HB2 LYS 93 HB2 LYS 93 9.706 -5.770 -6.188 776 HB3 LYS 93 HB3 LYS 93 8.156 -5.659 -5.358 777 HG2 LYS 93 HG2 LYS 93 7.627 -3.737 -7.041 778 HG3 LYS 93 HG3 LYS 93 9.002 -4.355 -7.957 779 HD2 LYS 93 HD2 LYS 93 7.883 -6.537 -8.178 780 HD3 LYS 93 HD3 LYS 93 6.539 -5.959 -7.185 781 HE2 LYS 93 HE2 LYS 93 5.919 -5.857 -9.542 782 HE3 LYS 93 HE3 LYS 93 6.038 -4.224 -8.894 783 HZ1 LYS 93 HZ1 LYS 93 8.077 -5.603 -10.550 784 HZ2 LYS 93 HZ2 LYS 93 8.241 -4.049 -9.906 785 HZ3 LYS 93 HZ3 LYS 93 7.051 -4.364 -11.059 786 H LEU 94 H LEU 94 7.525 -4.295 -3.404 787 HA LEU 94 HA LEU 94 5.534 -2.569 -4.343 788 HB2 LEU 94 HB2 LEU 94 5.183 -4.449 -2.737 789 HB3 LEU 94 HB3 LEU 94 5.968 -3.500 -1.484 790 HG LEU 94 HG LEU 94 4.109 -1.736 -1.865 791 HD11 LEU 94 HD11 LEU 94 1.996 -2.520 -2.814 792 HD12 LEU 94 HD12 LEU 94 2.752 -4.042 -3.288 793 HD13 LEU 94 HD13 LEU 94 3.282 -2.522 -4.021 794 HD21 LEU 94 HD21 LEU 94 4.182 -3.107 0.136 795 HD22 LEU 94 HD22 LEU 94 3.350 -4.422 -0.697 796 HD23 LEU 94 HD23 LEU 94 2.515 -2.894 -0.403 797 H LEU 95 H LEU 95 7.999 -1.989 -1.820 798 HA LEU 95 HA LEU 95 7.130 0.579 -1.007 799 HB2 LEU 95 HB2 LEU 95 8.747 -0.790 0.305 800 HB3 LEU 95 HB3 LEU 95 9.956 -0.540 -0.948 801 HG LEU 95 HG LEU 95 9.696 1.992 -0.504 802 HD11 LEU 95 HD11 LEU 95 8.321 1.041 2.022 803 HD12 LEU 95 HD12 LEU 95 7.569 1.929 0.692 804 HD13 LEU 95 HD13 LEU 95 8.828 2.694 1.657 805 HD21 LEU 95 HD21 LEU 95 11.239 2.005 1.374 806 HD22 LEU 95 HD22 LEU 95 11.672 0.755 0.210 807 HD23 LEU 95 HD23 LEU 95 10.870 0.314 1.721 808 H LYS 96 H LYS 96 9.515 -0.430 -3.451 809 HA LYS 96 HA LYS 96 10.393 2.098 -4.332 810 HB2 LYS 96 HB2 LYS 96 10.148 -0.498 -5.903 811 HB3 LYS 96 HB3 LYS 96 11.076 0.913 -6.421 812 HG2 LYS 96 HG2 LYS 96 12.553 0.671 -4.457 813 HG3 LYS 96 HG3 LYS 96 11.605 -0.716 -3.911 814 HD2 LYS 96 HD2 LYS 96 13.618 -1.505 -5.006 815 HD3 LYS 96 HD3 LYS 96 12.216 -1.931 -5.985 816 HE2 LYS 96 HE2 LYS 96 12.689 -0.020 -7.493 817 HE3 LYS 96 HE3 LYS 96 14.090 0.415 -6.512 818 HZ1 LYS 96 HZ1 LYS 96 13.738 -2.126 -8.001 819 HZ2 LYS 96 HZ2 LYS 96 15.088 -1.709 -7.076 820 HZ3 LYS 96 HZ3 LYS 96 14.717 -0.832 -8.475 821 H GLN 97 H GLN 97 7.733 0.053 -5.514 822 HA GLN 97 HA GLN 97 6.720 1.689 -7.571 823 HB2 GLN 97 HB2 GLN 97 5.288 -0.326 -5.791 824 HB3 GLN 97 HB3 GLN 97 4.615 0.349 -7.269 825 HG2 GLN 97 HG2 GLN 97 7.100 -1.383 -7.095 826 HG3 GLN 97 HG3 GLN 97 5.500 -1.932 -7.588 827 HE21 GLN 97 HE21 GLN 97 4.752 -1.398 -9.644 828 HE22 GLN 97 HE22 GLN 97 5.765 -0.713 -10.863 829 H LEU 98 H LEU 98 6.048 1.612 -4.095 830 HA LEU 98 HA LEU 98 3.875 3.461 -4.046 831 HB2 LEU 98 HB2 LEU 98 4.386 1.773 -2.262 832 HB3 LEU 98 HB3 LEU 98 5.805 2.702 -1.813 833 HG LEU 98 HG LEU 98 4.315 4.608 -1.150 834 HD11 LEU 98 HD11 LEU 98 2.390 4.172 -2.588 835 HD12 LEU 98 HD12 LEU 98 1.897 4.264 -0.900 836 HD13 LEU 98 HD13 LEU 98 2.027 2.692 -1.695 837 HD21 LEU 98 HD21 LEU 98 3.693 1.989 0.260 838 HD22 LEU 98 HD22 LEU 98 3.483 3.608 0.935 839 HD23 LEU 98 HD23 LEU 98 5.098 3.020 0.551 840 H GLN 99 H GLN 99 7.390 3.847 -3.543 841 HA GLN 99 HA GLN 99 7.400 6.628 -2.932 842 HB2 GLN 99 HB2 GLN 99 9.574 4.757 -3.952 843 HB3 GLN 99 HB3 GLN 99 9.886 6.458 -3.605 844 HG2 GLN 99 HG2 GLN 99 9.150 6.095 -1.260 845 HG3 GLN 99 HG3 GLN 99 8.906 4.385 -1.619 846 HE21 GLN 99 HE21 GLN 99 10.394 3.945 0.095 847 HE22 GLN 99 HE22 GLN 99 12.097 4.075 -0.157 848 H GLU 100 H GLU 100 7.879 4.885 -6.011 849 HA GLU 100 HA GLU 100 8.232 7.129 -7.703 850 HB2 GLU 100 HB2 GLU 100 7.047 4.399 -8.372 851 HB3 GLU 100 HB3 GLU 100 7.576 5.588 -9.558 852 HG2 GLU 100 HG2 GLU 100 9.390 4.248 -7.528 853 HG3 GLU 100 HG3 GLU 100 9.185 3.712 -9.191 854 H PHE 101 H PHE 101 5.291 5.485 -6.527 855 HA PHE 101 HA PHE 101 3.467 6.862 -8.247 856 HB2 PHE 101 HB2 PHE 101 3.039 4.648 -7.061 857 HB3 PHE 101 HB3 PHE 101 2.802 5.560 -5.572 858 HD1 PHE 101 HD2 PHE 101 1.638 5.665 -9.145 859 HD2 PHE 101 HD1 PHE 101 0.539 6.023 -5.024 860 HE1 PHE 101 HE2 PHE 101 -0.693 6.017 -9.793 861 HE2 PHE 101 HE1 PHE 101 -1.801 6.378 -5.697 862 HZ PHE 101 HZ PHE 101 -2.416 6.368 -8.084 863 H SER 102 H SER 102 4.580 7.447 -4.912 864 HA SER 102 HA SER 102 2.695 9.408 -4.172 865 HB2 SER 102 HB2 SER 102 5.506 8.958 -3.105 866 HB3 SER 102 HB3 SER 102 4.282 9.969 -2.328 867 HG SER 102 HG SER 102 4.532 7.249 -2.401 868 H GLU 103 H GLU 103 5.883 9.783 -5.701 869 HA GLU 103 HA GLU 103 5.736 12.693 -5.713 870 HB2 GLU 103 HB2 GLU 103 7.868 12.555 -7.015 871 HB3 GLU 103 HB3 GLU 103 7.914 11.700 -5.477 872 HG2 GLU 103 HG2 GLU 103 7.539 9.553 -6.678 873 HG3 GLU 103 HG3 GLU 103 7.580 10.428 -8.210 874 H ASN 104 H ASN 104 4.849 10.113 -7.924 875 HA ASN 104 HA ASN 104 4.259 12.068 -10.088 876 HB2 ASN 104 HB2 ASN 104 4.728 9.052 -10.236 877 HB3 ASN 104 HB3 ASN 104 4.275 10.057 -11.609 878 HD21 ASN 104 HD21 ASN 104 6.894 8.926 -9.724 879 HD22 ASN 104 HD22 ASN 104 8.134 9.852 -10.467 880 H LYS 105 H LYS 105 2.491 11.816 -7.852 881 HA LYS 105 HA LYS 105 0.209 10.181 -8.288 882 HB2 LYS 105 HB2 LYS 105 0.574 12.776 -6.735 883 HB3 LYS 105 HB3 LYS 105 -0.942 11.885 -6.728 884 HG2 LYS 105 HG2 LYS 105 1.670 10.631 -5.860 885 HG3 LYS 105 HG3 LYS 105 0.655 11.546 -4.748 886 HD2 LYS 105 HD2 LYS 105 -0.413 9.172 -6.323 887 HD3 LYS 105 HD3 LYS 105 0.396 8.971 -4.767 888 HE2 LYS 105 HE2 LYS 105 -1.301 10.249 -3.628 889 HE3 LYS 105 HE3 LYS 105 -2.022 10.768 -5.158 890 HZ1 LYS 105 HZ1 LYS 105 -3.310 9.042 -4.132 891 HZ2 LYS 105 HZ2 LYS 105 -1.977 8.000 -4.099 892 HZ3 LYS 105 HZ3 LYS 105 -2.643 8.474 -5.579 893 H GLU 106 H GLU 106 0.589 13.700 -8.856 894 HA GLU 106 HA GLU 106 -1.823 13.702 -10.604 895 HB2 GLU 106 HB2 GLU 106 -0.985 15.781 -8.523 896 HB3 GLU 106 HB3 GLU 106 -2.395 15.906 -9.574 897 HG2 GLU 106 HG2 GLU 106 -3.483 14.062 -8.473 898 HG3 GLU 106 HG3 GLU 106 -2.021 13.652 -7.581 899 H LYS 107 H LYS 107 1.155 13.692 -11.271 900 HA LYS 107 HA LYS 107 1.920 16.290 -12.188 901 HB2 LYS 107 HB2 LYS 107 3.833 15.236 -13.207 902 HB3 LYS 107 HB3 LYS 107 3.561 14.502 -11.630 903 HG2 LYS 107 HG2 LYS 107 2.700 12.488 -12.601 904 HG3 LYS 107 HG3 LYS 107 2.566 13.227 -14.203 905 HD2 LYS 107 HD2 LYS 107 5.040 13.446 -14.291 906 HD3 LYS 107 HD3 LYS 107 5.158 12.667 -12.710 907 HE2 LYS 107 HE2 LYS 107 4.146 10.607 -13.678 908 HE3 LYS 107 HE3 LYS 107 4.085 11.396 -15.259 909 HZ1 LYS 107 HZ1 LYS 107 6.483 11.556 -15.242 910 HZ2 LYS 107 HZ2 LYS 107 6.016 9.949 -15.003 911 HZ3 LYS 107 HZ3 LYS 107 6.557 10.877 -13.696 912 H GLU 108 H GLU 108 -0.306 14.175 -13.461 913 HA GLU 108 HA GLU 108 0.046 14.499 -16.267 914 HB2 GLU 108 HB2 GLU 108 -2.175 13.491 -16.462 915 HB3 GLU 108 HB3 GLU 108 -1.229 12.612 -15.267 916 HG2 GLU 108 HG2 GLU 108 -2.427 13.752 -13.444 917 HG3 GLU 108 HG3 GLU 108 -3.342 14.695 -14.619 918 H ILE 109 H ILE 109 -1.208 15.758 -17.703 919 HA ILE 109 HA ILE 109 -2.367 18.272 -16.626 920 HB ILE 109 HB ILE 109 -2.139 19.156 -18.960 921 HG12 ILE 109 HG12 ILE 109 -0.705 16.513 -19.554 922 HG13 ILE 109 HG13 ILE 109 -2.278 16.973 -20.191 923 HG21 ILE 109 HG21 ILE 109 -0.366 19.573 -17.303 924 HG22 ILE 109 HG22 ILE 109 0.315 19.433 -18.925 925 HG23 ILE 109 HG23 ILE 109 0.459 18.087 -17.788 926 HD11 ILE 109 HD11 ILE 109 -1.215 18.819 -21.423 927 HD12 ILE 109 HD12 ILE 109 -0.559 17.241 -21.859 928 HD13 ILE 109 HD13 ILE 109 0.356 18.310 -20.798
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