NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
142377 | 2kk6 | 16353 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 13.444 -18.251 -19.897 2 H2 MET 1 2H MET 1 15.009 -17.864 -19.390 3 H3 MET 1 3H MET 1 14.719 -19.321 -20.189 4 HA MET 1 HA MET 1 14.347 -16.640 -21.388 5 HB2 MET 1 2HB MET 1 16.626 -18.617 -21.658 6 HB3 MET 1 3HB MET 1 16.385 -17.252 -22.741 7 HG2 MET 1 2HG MET 1 16.621 -15.710 -20.853 8 HG3 MET 1 3HG MET 1 16.868 -17.078 -19.770 9 HE1 MET 1 3HE MET 1 19.006 -18.614 -19.770 10 HE2 MET 1 1HE MET 1 20.297 -18.499 -20.966 11 HE3 MET 1 2HE MET 1 18.691 -19.037 -21.454 12 H GLY 2 H GLY 2 13.961 -16.690 -23.684 13 HA2 GLY 2 2HA GLY 2 13.694 -18.785 -25.390 14 HA3 GLY 2 3HA GLY 2 12.219 -18.873 -24.439 15 H HIS 3 H HIS 3 11.485 -18.579 -26.811 16 HA HIS 3 HA HIS 3 11.694 -16.058 -28.083 17 HB2 HIS 3 2HB HIS 3 9.530 -18.161 -28.356 18 HB3 HIS 3 3HB HIS 3 9.800 -16.826 -29.471 19 HD1 HIS 3 HD1 HIS 3 11.499 -17.181 -31.290 20 HD2 HIS 3 HD2 HIS 3 11.651 -20.128 -28.369 21 HE1 HIS 3 HE1 HIS 3 13.060 -18.929 -32.181 22 HE2 HIS 3 HE2 HIS 3 12.988 -20.778 -30.483 23 H HIS 4 H HIS 4 9.646 -17.210 -25.542 24 HA HIS 4 HA HIS 4 8.341 -14.561 -25.412 25 HB2 HIS 4 2HB HIS 4 7.147 -17.249 -24.663 26 HB3 HIS 4 3HB HIS 4 6.374 -15.692 -24.390 27 HD1 HIS 4 HD1 HIS 4 6.773 -18.332 -26.894 28 HD2 HIS 4 HD2 HIS 4 5.632 -14.338 -26.845 29 HE1 HIS 4 HE1 HIS 4 5.604 -17.940 -29.078 30 HE2 HIS 4 HE2 HIS 4 4.726 -15.590 -28.914 31 H HIS 5 H HIS 5 7.229 -14.610 -22.964 32 HA HIS 5 HA HIS 5 7.532 -14.482 -20.719 33 HB2 HIS 5 2HB HIS 5 9.292 -16.878 -21.256 34 HB3 HIS 5 3HB HIS 5 8.903 -16.306 -19.638 35 HD1 HIS 5 HD1 HIS 5 7.208 -17.817 -18.669 36 HD2 HIS 5 HD2 HIS 5 6.526 -17.145 -22.710 37 HE1 HIS 5 HE1 HIS 5 5.110 -19.077 -19.217 38 HE2 HIS 5 HE2 HIS 5 4.861 -18.839 -21.708 39 H HIS 6 H HIS 6 9.300 -12.832 -22.390 40 HA HIS 6 HA HIS 6 11.158 -12.208 -20.208 41 HB2 HIS 6 2HB HIS 6 12.971 -11.640 -21.801 42 HB3 HIS 6 3HB HIS 6 12.569 -13.351 -21.798 43 HD1 HIS 6 HD1 HIS 6 11.430 -14.304 -23.952 44 HD2 HIS 6 HD2 HIS 6 12.598 -10.322 -24.226 45 HE1 HIS 6 HE1 HIS 6 11.352 -13.741 -26.394 46 HE2 HIS 6 HE2 HIS 6 12.256 -11.407 -26.546 47 H HIS 7 H HIS 7 9.946 -10.507 -19.512 48 HA HIS 7 HA HIS 7 9.138 -8.414 -21.373 49 HB2 HIS 7 2HB HIS 7 7.661 -9.186 -19.494 50 HB3 HIS 7 3HB HIS 7 8.820 -8.503 -18.359 51 HD1 HIS 7 HD1 HIS 7 5.837 -7.678 -20.221 52 HD2 HIS 7 HD2 HIS 7 9.082 -5.561 -18.713 53 HE1 HIS 7 HE1 HIS 7 5.117 -5.274 -20.187 54 HE2 HIS 7 HE2 HIS 7 7.043 -4.033 -19.156 55 H HIS 8 H HIS 8 11.068 -7.473 -22.064 56 HA HIS 8 HA HIS 8 13.140 -6.708 -20.237 57 HB2 HIS 8 2HB HIS 8 13.753 -7.327 -22.481 58 HB3 HIS 8 3HB HIS 8 12.701 -6.092 -23.163 59 HD1 HIS 8 HD1 HIS 8 15.842 -6.323 -21.029 60 HD2 HIS 8 HD2 HIS 8 13.957 -3.732 -23.675 61 HE1 HIS 8 HE1 HIS 8 17.446 -4.431 -21.371 62 HE2 HIS 8 HE2 HIS 8 16.369 -2.987 -23.123 63 H SER 9 H SER 9 12.692 -5.176 -18.785 64 HA SER 9 HA SER 9 12.652 -2.465 -19.586 65 HB2 SER 9 2HB SER 9 10.257 -2.929 -20.033 66 HB3 SER 9 3HB SER 9 10.052 -3.451 -18.361 67 HG SER 9 HG SER 9 9.604 -1.105 -19.119 68 H HIS 10 H HIS 10 12.104 -1.027 -17.543 69 HA HIS 10 HA HIS 10 13.632 -2.132 -15.305 70 HB2 HIS 10 2HB HIS 10 12.614 0.654 -15.911 71 HB3 HIS 10 3HB HIS 10 13.390 0.233 -14.389 72 HD1 HIS 10 HD1 HIS 10 15.387 1.773 -14.783 73 HD2 HIS 10 HD2 HIS 10 14.884 -1.083 -17.763 74 HE1 HIS 10 HE1 HIS 10 17.497 1.838 -16.143 75 HE2 HIS 10 HE2 HIS 10 17.232 -0.001 -17.839 76 H MET 11 H MET 11 10.571 -0.347 -15.684 77 HA MET 11 HA MET 11 9.034 -2.165 -14.139 78 HB2 MET 11 2HB MET 11 8.592 -0.815 -12.173 79 HB3 MET 11 3HB MET 11 10.323 -1.091 -12.297 80 HG2 MET 11 2HG MET 11 8.869 1.436 -13.072 81 HG3 MET 11 3HG MET 11 9.844 1.194 -11.623 82 HE1 MET 11 3HE MET 11 10.279 3.639 -13.624 83 HE2 MET 11 1HE MET 11 12.039 3.664 -13.744 84 HE3 MET 11 2HE MET 11 11.265 3.381 -12.184 85 H LYS 12 H LYS 12 6.838 -1.014 -13.523 86 HA LYS 12 HA LYS 12 6.072 0.821 -15.700 87 HB2 LYS 12 2HB LYS 12 4.540 -1.067 -13.931 88 HB3 LYS 12 3HB LYS 12 3.707 0.293 -14.670 89 HG2 LYS 12 2HG LYS 12 5.285 -1.716 -16.265 90 HG3 LYS 12 3HG LYS 12 3.569 -1.906 -15.894 91 HD2 LYS 12 2HD LYS 12 3.156 0.314 -16.963 92 HD3 LYS 12 3HD LYS 12 4.852 0.348 -17.448 93 HE2 LYS 12 2HE LYS 12 4.546 -1.637 -18.802 94 HE3 LYS 12 3HE LYS 12 2.884 -1.809 -18.233 95 HZ1 LYS 12 3HZ LYS 12 2.310 0.249 -19.322 96 HZ2 LYS 12 1HZ LYS 12 3.024 -0.796 -20.443 97 HZ3 LYS 12 2HZ LYS 12 3.912 0.492 -19.807 98 HA PRO 13 HA PRO 13 6.024 4.255 -12.829 99 HB2 PRO 13 2HB PRO 13 4.149 5.828 -14.078 100 HB3 PRO 13 3HB PRO 13 5.831 5.696 -14.607 101 HG2 PRO 13 2HG PRO 13 3.406 4.260 -15.636 102 HG3 PRO 13 3HG PRO 13 4.710 5.040 -16.550 103 HD2 PRO 13 2HD PRO 13 4.667 2.386 -16.211 104 HD3 PRO 13 3HD PRO 13 6.200 3.284 -16.163 105 H LEU 14 H LEU 14 4.569 5.394 -11.354 106 HA LEU 14 HA LEU 14 2.976 3.705 -9.869 107 HB2 LEU 14 2HB LEU 14 3.912 5.812 -9.033 108 HB3 LEU 14 3HB LEU 14 2.795 6.716 -10.038 109 HG LEU 14 HG LEU 14 0.900 5.829 -8.733 110 HD11 LEU 14 1HD1 LEU 14 3.014 4.524 -7.023 111 HD12 LEU 14 2HD1 LEU 14 1.870 3.692 -8.076 112 HD13 LEU 14 3HD1 LEU 14 1.286 4.588 -6.673 113 HD21 LEU 14 3HD2 LEU 14 3.053 7.096 -7.032 114 HD22 LEU 14 1HD2 LEU 14 1.323 7.086 -6.683 115 HD23 LEU 14 2HD2 LEU 14 1.933 7.952 -8.091 116 H ALA 15 H ALA 15 1.892 6.046 -12.314 117 HA ALA 15 HA ALA 15 -0.866 5.731 -12.009 118 HB1 ALA 15 3HB ALA 15 0.158 7.527 -13.318 119 HB2 ALA 15 1HB ALA 15 -1.068 6.669 -14.247 120 HB3 ALA 15 2HB ALA 15 0.644 6.358 -14.547 121 H GLU 16 H GLU 16 1.390 3.882 -14.061 122 HA GLU 16 HA GLU 16 -0.731 2.336 -15.259 123 HB2 GLU 16 2HB GLU 16 2.272 1.961 -15.388 124 HB3 GLU 16 3HB GLU 16 1.098 1.073 -16.352 125 HG2 GLU 16 2HG GLU 16 0.334 3.349 -17.225 126 HG3 GLU 16 3HG GLU 16 1.803 3.991 -16.495 127 H GLN 17 H GLN 17 1.027 2.090 -12.344 128 HA GLN 17 HA GLN 17 1.194 -0.683 -11.963 129 HB2 GLN 17 2HB GLN 17 0.751 1.529 -9.943 130 HB3 GLN 17 3HB GLN 17 1.104 -0.137 -9.509 131 HG2 GLN 17 2HG GLN 17 2.907 1.635 -11.151 132 HG3 GLN 17 3HG GLN 17 3.081 1.335 -9.422 133 HE21 GLN 17 1HE2 GLN 17 3.323 -0.070 -12.596 134 HE22 GLN 17 2HE2 GLN 17 4.245 -1.448 -12.131 135 H ASP 18 H ASP 18 -0.326 -2.199 -11.831 136 HA ASP 18 HA ASP 18 -3.089 -1.616 -11.939 137 HB2 ASP 18 2HB ASP 18 -3.266 -4.180 -11.486 138 HB3 ASP 18 3HB ASP 18 -2.559 -3.602 -12.990 139 H TRP 19 H TRP 19 -1.026 -2.626 -9.229 140 HA TRP 19 HA TRP 19 -3.115 -2.852 -7.332 141 HB2 TRP 19 2HB TRP 19 -1.264 -2.505 -5.626 142 HB3 TRP 19 3HB TRP 19 -1.055 -3.851 -6.739 143 HD1 TRP 19 HD1 TRP 19 1.033 -3.809 -8.330 144 HE1 TRP 19 HE1 TRP 19 3.111 -2.301 -8.483 145 HE3 TRP 19 HE3 TRP 19 -0.511 0.038 -5.328 146 HZ2 TRP 19 HZ2 TRP 19 3.983 0.173 -7.473 147 HZ3 TRP 19 HZ3 TRP 19 1.010 1.940 -4.981 148 HH2 TRP 19 HH2 TRP 19 3.212 2.004 -6.034 149 H TYR 20 H TYR 20 -1.600 -0.072 -8.717 150 HA TYR 20 HA TYR 20 -2.670 1.750 -6.713 151 HB2 TYR 20 2HB TYR 20 -0.543 2.348 -7.733 152 HB3 TYR 20 3HB TYR 20 -1.249 2.259 -9.342 153 HD1 TYR 20 HD2 TYR 20 -1.595 4.106 -6.108 154 HD2 TYR 20 HD1 TYR 20 -2.055 4.211 -10.341 155 HE1 TYR 20 HE2 TYR 20 -2.146 6.498 -5.986 156 HE2 TYR 20 HE1 TYR 20 -2.604 6.604 -10.226 157 HH TYR 20 HH TYR 20 -2.100 8.477 -7.433 158 H HIS 21 H HIS 21 -4.871 1.730 -6.749 159 HA HIS 21 HA HIS 21 -6.333 1.473 -9.247 160 HB2 HIS 21 2HB HIS 21 -7.216 1.632 -6.360 161 HB3 HIS 21 3HB HIS 21 -8.351 1.544 -7.702 162 HD1 HIS 21 HD1 HIS 21 -9.285 -0.761 -7.580 163 HD2 HIS 21 HD2 HIS 21 -5.153 -0.733 -7.115 164 HE1 HIS 21 HE1 HIS 21 -8.600 -3.171 -7.475 165 HE2 HIS 21 HE2 HIS 21 -6.087 -3.128 -7.383 166 H GLY 22 H GLY 22 -5.008 4.108 -7.756 167 HA2 GLY 22 2HA GLY 22 -5.284 6.327 -8.560 168 HA3 GLY 22 3HA GLY 22 -6.914 5.919 -9.071 169 H ALA 23 H ALA 23 -7.967 7.600 -8.036 170 HA ALA 23 HA ALA 23 -7.605 7.906 -5.127 171 HB1 ALA 23 3HB ALA 23 -8.994 9.731 -7.093 172 HB2 ALA 23 1HB ALA 23 -7.345 9.923 -6.495 173 HB3 ALA 23 2HB ALA 23 -8.707 10.065 -5.384 174 H ILE 24 H ILE 24 -9.132 5.684 -6.282 175 HA ILE 24 HA ILE 24 -11.883 5.989 -6.229 176 HB ILE 24 HB ILE 24 -12.071 3.616 -5.723 177 HG12 ILE 24 2HG1 ILE 24 -9.084 3.644 -5.190 178 HG13 ILE 24 3HG1 ILE 24 -10.312 3.565 -3.932 179 HG21 ILE 24 1HG2 ILE 24 -11.451 4.246 -7.991 180 HG22 ILE 24 2HG2 ILE 24 -10.693 2.717 -7.545 181 HG23 ILE 24 3HG2 ILE 24 -9.742 4.203 -7.554 182 HD11 ILE 24 3HD1 ILE 24 -11.091 1.436 -4.827 183 HD12 ILE 24 1HD1 ILE 24 -9.382 1.379 -4.403 184 HD13 ILE 24 2HD1 ILE 24 -9.865 1.518 -6.092 185 HA PRO 25 HA PRO 25 -13.105 6.913 -2.077 186 HB2 PRO 25 2HB PRO 25 -15.464 5.502 -1.923 187 HB3 PRO 25 3HB PRO 25 -15.286 7.054 -2.746 188 HG2 PRO 25 2HG PRO 25 -15.263 4.287 -3.893 189 HG3 PRO 25 3HG PRO 25 -16.070 5.743 -4.504 190 HD2 PRO 25 2HD PRO 25 -13.765 4.874 -5.565 191 HD3 PRO 25 3HD PRO 25 -14.103 6.611 -5.392 192 H ARG 26 H ARG 26 -13.484 6.009 0.046 193 HA ARG 26 HA ARG 26 -11.714 3.963 0.721 194 HB2 ARG 26 2HB ARG 26 -12.509 5.705 2.293 195 HB3 ARG 26 3HB ARG 26 -14.087 4.928 2.341 196 HG2 ARG 26 2HG ARG 26 -12.997 2.885 3.257 197 HG3 ARG 26 3HG ARG 26 -11.475 3.771 3.317 198 HD2 ARG 26 2HD ARG 26 -14.013 4.476 4.800 199 HD3 ARG 26 3HD ARG 26 -12.566 3.750 5.501 200 HE ARG 26 HE ARG 26 -11.965 6.215 4.222 201 HH11 ARG 26 1HH1 ARG 26 -13.354 4.893 7.082 202 HH12 ARG 26 2HH1 ARG 26 -13.011 6.298 8.026 203 HH21 ARG 26 1HH2 ARG 26 -11.513 8.018 5.461 204 HH22 ARG 26 2HH2 ARG 26 -11.949 8.021 7.135 205 H ILE 27 H ILE 27 -15.248 3.811 0.327 206 HA ILE 27 HA ILE 27 -15.721 1.194 1.145 207 HB ILE 27 HB ILE 27 -17.079 2.709 -1.102 208 HG12 ILE 27 2HG1 ILE 27 -17.832 2.405 1.821 209 HG13 ILE 27 3HG1 ILE 27 -17.153 3.854 1.090 210 HG21 ILE 27 1HG2 ILE 27 -17.555 0.337 -1.294 211 HG22 ILE 27 2HG2 ILE 27 -18.985 1.186 -0.711 212 HG23 ILE 27 3HG2 ILE 27 -17.992 0.256 0.412 213 HD11 ILE 27 3HD1 ILE 27 -19.527 4.101 1.376 214 HD12 ILE 27 1HD1 ILE 27 -19.826 2.619 0.468 215 HD13 ILE 27 2HD1 ILE 27 -19.144 4.030 -0.344 216 H GLU 28 H GLU 28 -15.131 2.276 -2.224 217 HA GLU 28 HA GLU 28 -15.042 -0.210 -3.448 218 HB2 GLU 28 2HB GLU 28 -13.693 2.406 -4.089 219 HB3 GLU 28 3HB GLU 28 -13.469 0.994 -5.114 220 HG2 GLU 28 2HG GLU 28 -16.228 1.906 -4.414 221 HG3 GLU 28 3HG GLU 28 -15.316 2.733 -5.680 222 H ALA 29 H ALA 29 -12.499 1.433 -1.644 223 HA ALA 29 HA ALA 29 -10.375 -0.303 -2.420 224 HB1 ALA 29 3HB ALA 29 -9.992 1.954 -1.543 225 HB2 ALA 29 1HB ALA 29 -9.110 0.735 -0.621 226 HB3 ALA 29 2HB ALA 29 -10.587 1.441 0.036 227 H GLN 30 H GLN 30 -12.676 -0.385 0.288 228 HA GLN 30 HA GLN 30 -11.260 -2.583 1.564 229 HB2 GLN 30 2HB GLN 30 -13.103 -2.479 3.250 230 HB3 GLN 30 3HB GLN 30 -12.213 -0.977 3.053 231 HG2 GLN 30 2HG GLN 30 -13.990 0.051 1.897 232 HG3 GLN 30 3HG GLN 30 -14.816 -1.483 1.639 233 HE21 GLN 30 1HE2 GLN 30 -16.066 -2.334 3.254 234 HE22 GLN 30 2HE2 GLN 30 -16.470 -1.465 4.692 235 H GLU 31 H GLU 31 -14.052 -2.208 -0.511 236 HA GLU 31 HA GLU 31 -15.322 -4.665 0.188 237 HB2 GLU 31 2HB GLU 31 -15.646 -2.919 -2.260 238 HB3 GLU 31 3HB GLU 31 -16.697 -4.268 -1.847 239 HG2 GLU 31 2HG GLU 31 -16.288 -1.780 -0.195 240 HG3 GLU 31 3HG GLU 31 -17.677 -2.117 -1.225 241 H LEU 32 H LEU 32 -12.849 -3.855 -2.181 242 HA LEU 32 HA LEU 32 -13.270 -6.239 -3.748 243 HB2 LEU 32 2HB LEU 32 -11.392 -5.518 -5.083 244 HB3 LEU 32 3HB LEU 32 -12.463 -4.169 -4.776 245 HG LEU 32 HG LEU 32 -10.757 -3.633 -2.833 246 HD11 LEU 32 1HD1 LEU 32 -8.447 -4.199 -3.476 247 HD12 LEU 32 2HD1 LEU 32 -9.072 -5.258 -4.739 248 HD13 LEU 32 3HD1 LEU 32 -9.395 -5.618 -3.044 249 HD21 LEU 32 3HD2 LEU 32 -9.531 -2.184 -4.362 250 HD22 LEU 32 1HD2 LEU 32 -11.251 -2.183 -4.745 251 HD23 LEU 32 2HD2 LEU 32 -10.126 -3.108 -5.743 252 H LEU 33 H LEU 33 -11.757 -5.719 -0.812 253 HA LEU 33 HA LEU 33 -9.577 -7.612 -1.130 254 HB2 LEU 33 2HB LEU 33 -10.654 -6.257 1.353 255 HB3 LEU 33 3HB LEU 33 -9.153 -7.153 1.239 256 HG LEU 33 HG LEU 33 -9.748 -4.590 -0.254 257 HD11 LEU 33 1HD1 LEU 33 -8.037 -5.065 2.187 258 HD12 LEU 33 2HD1 LEU 33 -9.554 -4.168 2.128 259 HD13 LEU 33 3HD1 LEU 33 -8.137 -3.555 1.278 260 HD21 LEU 33 3HD2 LEU 33 -8.180 -6.033 -1.441 261 HD22 LEU 33 1HD2 LEU 33 -7.191 -6.174 0.013 262 HD23 LEU 33 2HD2 LEU 33 -7.361 -4.614 -0.792 263 H LYS 34 H LYS 34 -9.488 -9.726 -0.292 264 HA LYS 34 HA LYS 34 -11.980 -10.767 0.897 265 HB2 LYS 34 2HB LYS 34 -11.921 -12.712 -0.609 266 HB3 LYS 34 3HB LYS 34 -12.120 -11.201 -1.483 267 HG2 LYS 34 2HG LYS 34 -9.598 -11.276 -1.864 268 HG3 LYS 34 3HG LYS 34 -9.683 -12.949 -1.315 269 HD2 LYS 34 2HD LYS 34 -11.159 -11.749 -3.660 270 HD3 LYS 34 3HD LYS 34 -9.777 -12.841 -3.743 271 HE2 LYS 34 2HE LYS 34 -11.089 -14.612 -2.712 272 HE3 LYS 34 3HE LYS 34 -12.463 -13.520 -2.545 273 HZ1 LYS 34 3HZ LYS 34 -11.246 -14.374 -5.113 274 HZ2 LYS 34 1HZ LYS 34 -12.571 -13.333 -4.944 275 HZ3 LYS 34 2HZ LYS 34 -12.696 -14.950 -4.470 276 H LYS 35 H LYS 35 -8.576 -11.616 0.155 277 HA LYS 35 HA LYS 35 -8.597 -13.457 2.474 278 HB2 LYS 35 2HB LYS 35 -6.681 -14.556 1.463 279 HB3 LYS 35 3HB LYS 35 -7.967 -14.431 0.265 280 HG2 LYS 35 2HG LYS 35 -6.882 -12.633 -0.850 281 HG3 LYS 35 3HG LYS 35 -5.705 -12.448 0.448 282 HD2 LYS 35 2HD LYS 35 -4.652 -13.547 -1.416 283 HD3 LYS 35 3HD LYS 35 -4.820 -14.703 -0.092 284 HE2 LYS 35 2HE LYS 35 -6.678 -15.764 -1.161 285 HE3 LYS 35 3HE LYS 35 -6.772 -14.497 -2.385 286 HZ1 LYS 35 3HZ LYS 35 -5.696 -16.485 -3.237 287 HZ2 LYS 35 1HZ LYS 35 -4.505 -16.386 -2.039 288 HZ3 LYS 35 2HZ LYS 35 -4.621 -15.179 -3.220 289 H GLN 36 H GLN 36 -6.350 -13.637 3.550 290 HA GLN 36 HA GLN 36 -5.445 -11.031 4.360 291 HB2 GLN 36 2HB GLN 36 -5.460 -12.831 5.997 292 HB3 GLN 36 3HB GLN 36 -4.358 -13.784 5.011 293 HG2 GLN 36 2HG GLN 36 -2.572 -12.234 5.378 294 HG3 GLN 36 3HG GLN 36 -3.655 -11.090 6.164 295 HE21 GLN 36 1HE2 GLN 36 -2.465 -11.042 8.049 296 HE22 GLN 36 2HE2 GLN 36 -2.398 -12.377 9.144 297 H GLY 37 H GLY 37 -4.320 -9.870 2.909 298 HA2 GLY 37 2HA GLY 37 -1.788 -9.906 2.278 299 HA3 GLY 37 3HA GLY 37 -2.308 -11.216 1.232 300 H ASP 38 H ASP 38 -4.861 -9.998 0.551 301 HA ASP 38 HA ASP 38 -4.202 -8.629 -1.767 302 HB2 ASP 38 2HB ASP 38 -6.754 -8.316 -0.167 303 HB3 ASP 38 3HB ASP 38 -6.548 -7.928 -1.871 304 H PHE 39 H PHE 39 -3.358 -6.649 -2.099 305 HA PHE 39 HA PHE 39 -4.099 -4.467 -0.280 306 HB2 PHE 39 2HB PHE 39 -1.806 -3.655 -0.158 307 HB3 PHE 39 3HB PHE 39 -1.894 -5.304 0.442 308 HD1 PHE 39 HD1 PHE 39 -1.005 -7.172 -0.936 309 HD2 PHE 39 HD2 PHE 39 -0.475 -3.093 -2.054 310 HE1 PHE 39 HE1 PHE 39 0.814 -7.826 -2.456 311 HE2 PHE 39 HE2 PHE 39 1.341 -3.744 -3.580 312 HZ PHE 39 HZ PHE 39 1.989 -6.113 -3.782 313 H LEU 40 H LEU 40 -4.273 -2.456 -1.168 314 HA LEU 40 HA LEU 40 -3.284 -1.982 -3.884 315 HB2 LEU 40 2HB LEU 40 -5.325 -0.992 -4.662 316 HB3 LEU 40 3HB LEU 40 -5.675 -2.619 -4.112 317 HG LEU 40 HG LEU 40 -6.150 -0.275 -2.284 318 HD11 LEU 40 1HD1 LEU 40 -8.081 -1.297 -4.369 319 HD12 LEU 40 2HD1 LEU 40 -7.295 0.282 -4.366 320 HD13 LEU 40 3HD1 LEU 40 -8.448 -0.128 -3.097 321 HD21 LEU 40 3HD2 LEU 40 -7.842 -1.759 -1.335 322 HD22 LEU 40 1HD2 LEU 40 -6.258 -2.533 -1.340 323 HD23 LEU 40 2HD2 LEU 40 -7.464 -2.983 -2.546 324 H VAL 41 H VAL 41 -2.690 0.157 -4.280 325 HA VAL 41 HA VAL 41 -2.810 1.965 -1.951 326 HB VAL 41 HB VAL 41 -0.976 2.042 -4.364 327 HG11 VAL 41 1HG1 VAL 41 -1.491 4.310 -3.607 328 HG12 VAL 41 2HG1 VAL 41 0.176 3.888 -3.220 329 HG13 VAL 41 3HG1 VAL 41 -1.052 3.871 -1.955 330 HG21 VAL 41 3HG2 VAL 41 0.797 1.520 -2.759 331 HG22 VAL 41 1HG2 VAL 41 -0.440 0.261 -2.765 332 HG23 VAL 41 2HG2 VAL 41 -0.392 1.444 -1.457 333 H ARG 42 H ARG 42 -4.118 3.653 -2.004 334 HA ARG 42 HA ARG 42 -5.002 4.713 -4.623 335 HB2 ARG 42 2HB ARG 42 -7.163 5.201 -3.718 336 HB3 ARG 42 3HB ARG 42 -6.815 3.529 -3.302 337 HG2 ARG 42 2HG ARG 42 -6.259 4.164 -1.032 338 HG3 ARG 42 3HG ARG 42 -6.440 5.871 -1.432 339 HD2 ARG 42 2HD ARG 42 -8.850 5.299 -2.062 340 HD3 ARG 42 3HD ARG 42 -8.575 3.757 -1.254 341 HE ARG 42 HE ARG 42 -7.977 5.203 0.751 342 HH11 ARG 42 1HH1 ARG 42 -10.228 6.198 -1.653 343 HH12 ARG 42 2HH1 ARG 42 -11.115 7.200 -0.558 344 HH21 ARG 42 1HH2 ARG 42 -9.128 6.520 2.151 345 HH22 ARG 42 2HH2 ARG 42 -10.495 7.393 1.544 346 H GLU 43 H GLU 43 -5.638 7.055 -4.512 347 HA GLU 43 HA GLU 43 -4.096 8.527 -2.475 348 HB2 GLU 43 2HB GLU 43 -3.689 9.073 -4.893 349 HB3 GLU 43 3HB GLU 43 -5.361 9.605 -5.014 350 HG2 GLU 43 2HG GLU 43 -4.950 11.353 -3.367 351 HG3 GLU 43 3HG GLU 43 -3.285 10.800 -3.178 352 H SER 44 H SER 44 -5.132 10.070 -1.154 353 HA SER 44 HA SER 44 -7.745 9.416 -0.344 354 HB2 SER 44 2HB SER 44 -6.104 10.472 1.170 355 HB3 SER 44 3HB SER 44 -6.218 11.968 0.242 356 HG SER 44 HG SER 44 -7.566 11.896 2.150 357 H HIS 45 H HIS 45 -9.671 9.988 -1.088 358 HA HIS 45 HA HIS 45 -9.948 11.412 -3.510 359 HB2 HIS 45 2HB HIS 45 -11.438 9.560 -2.633 360 HB3 HIS 45 3HB HIS 45 -12.157 10.745 -1.553 361 HD1 HIS 45 HD1 HIS 45 -13.967 12.212 -2.501 362 HD2 HIS 45 HD2 HIS 45 -11.964 10.043 -5.424 363 HE1 HIS 45 HE1 HIS 45 -15.305 12.522 -4.600 364 HE2 HIS 45 HE2 HIS 45 -14.169 11.061 -6.307 365 H GLY 46 H GLY 46 -9.243 13.521 -3.383 366 HA2 GLY 46 2HA GLY 46 -10.239 15.772 -3.188 367 HA3 GLY 46 3HA GLY 46 -10.735 15.331 -1.564 368 H LYS 47 H LYS 47 -7.914 13.940 -1.506 369 HA LYS 47 HA LYS 47 -6.401 16.379 -0.799 370 HB2 LYS 47 2HB LYS 47 -7.075 15.267 1.223 371 HB3 LYS 47 3HB LYS 47 -6.530 13.713 0.617 372 HG2 LYS 47 2HG LYS 47 -4.989 14.545 2.277 373 HG3 LYS 47 3HG LYS 47 -4.203 14.502 0.700 374 HD2 LYS 47 2HD LYS 47 -4.568 16.916 0.454 375 HD3 LYS 47 3HD LYS 47 -5.371 16.958 2.027 376 HE2 LYS 47 2HE LYS 47 -3.328 16.276 3.134 377 HE3 LYS 47 3HE LYS 47 -2.515 16.076 1.582 378 HZ1 LYS 47 3HZ LYS 47 -2.863 18.480 1.206 379 HZ2 LYS 47 1HZ LYS 47 -1.868 18.148 2.534 380 HZ3 LYS 47 2HZ LYS 47 -3.474 18.621 2.774 381 HA PRO 48 HA PRO 48 -3.965 14.227 -4.120 382 HB2 PRO 48 2HB PRO 48 -2.999 16.999 -4.530 383 HB3 PRO 48 3HB PRO 48 -3.656 15.850 -5.701 384 HG2 PRO 48 2HG PRO 48 -5.081 17.968 -4.903 385 HG3 PRO 48 3HG PRO 48 -5.856 16.401 -5.212 386 HD2 PRO 48 2HD PRO 48 -5.103 17.656 -2.586 387 HD3 PRO 48 3HD PRO 48 -6.584 16.780 -3.031 388 H GLY 49 H GLY 49 -2.256 13.170 -3.277 389 HA2 GLY 49 2HA GLY 49 0.193 13.467 -2.898 390 HA3 GLY 49 3HA GLY 49 -0.237 14.738 -1.766 391 H GLU 50 H GLU 50 -2.568 13.002 -0.811 392 HA GLU 50 HA GLU 50 -0.956 11.416 1.066 393 HB2 GLU 50 2HB GLU 50 -2.577 12.991 2.032 394 HB3 GLU 50 3HB GLU 50 -3.883 12.175 1.183 395 HG2 GLU 50 2HG GLU 50 -3.494 10.148 2.465 396 HG3 GLU 50 3HG GLU 50 -2.119 10.897 3.274 397 H TYR 51 H TYR 51 -0.517 9.467 0.186 398 HA TYR 51 HA TYR 51 -2.601 7.990 -1.238 399 HB2 TYR 51 2HB TYR 51 0.347 7.431 -0.841 400 HB3 TYR 51 3HB TYR 51 -0.749 6.373 -1.726 401 HD1 TYR 51 HD2 TYR 51 0.383 9.940 -1.666 402 HD2 TYR 51 HD1 TYR 51 -0.947 6.654 -4.022 403 HE1 TYR 51 HE2 TYR 51 0.781 11.247 -3.708 404 HE2 TYR 51 HE1 TYR 51 -0.543 7.951 -6.070 405 HH TYR 51 HH TYR 51 1.239 10.839 -6.092 406 H VAL 52 H VAL 52 -3.770 6.441 -0.332 407 HA VAL 52 HA VAL 52 -3.008 5.439 2.331 408 HB VAL 52 HB VAL 52 -5.750 5.465 1.047 409 HG11 VAL 52 1HG1 VAL 52 -4.902 4.785 3.872 410 HG12 VAL 52 2HG1 VAL 52 -5.499 3.651 2.659 411 HG13 VAL 52 3HG1 VAL 52 -6.569 4.898 3.298 412 HG21 VAL 52 3HG2 VAL 52 -6.269 7.273 2.628 413 HG22 VAL 52 1HG2 VAL 52 -4.977 7.734 1.520 414 HG23 VAL 52 2HG2 VAL 52 -4.595 7.273 3.180 415 H LEU 53 H LEU 53 -2.235 3.441 2.401 416 HA LEU 53 HA LEU 53 -2.751 1.507 0.292 417 HB2 LEU 53 2HB LEU 53 -0.501 1.632 1.145 418 HB3 LEU 53 3HB LEU 53 -1.059 1.424 2.793 419 HG LEU 53 HG LEU 53 -1.801 -0.896 2.196 420 HD11 LEU 53 1HD1 LEU 53 -0.964 -1.924 0.155 421 HD12 LEU 53 2HD1 LEU 53 -0.306 -0.374 -0.372 422 HD13 LEU 53 3HD1 LEU 53 -2.051 -0.587 -0.216 423 HD21 LEU 53 3HD2 LEU 53 0.442 -1.867 2.194 424 HD22 LEU 53 1HD2 LEU 53 0.327 -0.516 3.322 425 HD23 LEU 53 2HD2 LEU 53 1.128 -0.300 1.765 426 H SER 54 H SER 54 -4.326 0.030 0.375 427 HA SER 54 HA SER 54 -5.567 -0.590 2.988 428 HB2 SER 54 2HB SER 54 -6.838 -0.652 0.232 429 HB3 SER 54 3HB SER 54 -7.641 -1.096 1.738 430 HG SER 54 HG SER 54 -6.845 1.431 0.810 431 H VAL 55 H VAL 55 -4.651 -2.448 3.647 432 HA VAL 55 HA VAL 55 -4.624 -4.728 1.762 433 HB VAL 55 HB VAL 55 -2.344 -4.101 2.268 434 HG11 VAL 55 1HG1 VAL 55 -1.446 -4.096 4.544 435 HG12 VAL 55 2HG1 VAL 55 -3.058 -4.411 5.187 436 HG13 VAL 55 3HG1 VAL 55 -2.722 -2.892 4.354 437 HG21 VAL 55 3HG2 VAL 55 -1.500 -6.207 3.199 438 HG22 VAL 55 1HG2 VAL 55 -2.817 -6.495 2.062 439 HG23 VAL 55 2HG2 VAL 55 -3.112 -6.597 3.799 440 H TYR 56 H TYR 56 -5.634 -6.574 2.389 441 HA TYR 56 HA TYR 56 -7.181 -6.501 4.856 442 HB2 TYR 56 2HB TYR 56 -8.051 -7.261 2.580 443 HB3 TYR 56 3HB TYR 56 -7.112 -8.725 2.808 444 HD1 TYR 56 HD2 TYR 56 -7.718 -10.297 4.685 445 HD2 TYR 56 HD1 TYR 56 -10.145 -6.943 3.675 446 HE1 TYR 56 HE2 TYR 56 -9.604 -11.295 5.909 447 HE2 TYR 56 HE1 TYR 56 -12.031 -7.934 4.896 448 HH TYR 56 HH TYR 56 -11.692 -10.519 7.032 449 H SER 57 H SER 57 -6.292 -7.224 6.712 450 HA SER 57 HA SER 57 -4.849 -9.765 6.705 451 HB2 SER 57 2HB SER 57 -3.062 -8.080 6.446 452 HB3 SER 57 3HB SER 57 -3.614 -7.274 7.913 453 HG SER 57 HG SER 57 -2.826 -8.874 9.122 454 H ASP 58 H ASP 58 -5.082 -10.942 8.547 455 HA ASP 58 HA ASP 58 -5.866 -11.628 10.563 456 HB2 ASP 58 2HB ASP 58 -5.659 -8.695 11.308 457 HB3 ASP 58 3HB ASP 58 -5.817 -10.037 12.441 458 H GLY 59 H GLY 59 -7.729 -10.686 8.434 459 HA2 GLY 59 2HA GLY 59 -10.043 -10.928 8.293 460 HA3 GLY 59 3HA GLY 59 -10.155 -10.775 10.036 461 H GLN 60 H GLN 60 -8.313 -8.224 9.269 462 HA GLN 60 HA GLN 60 -10.663 -6.441 9.039 463 HB2 GLN 60 2HB GLN 60 -7.932 -5.778 10.162 464 HB3 GLN 60 3HB GLN 60 -9.370 -4.770 10.227 465 HG2 GLN 60 2HG GLN 60 -10.447 -6.416 11.695 466 HG3 GLN 60 3HG GLN 60 -8.986 -7.404 11.639 467 HE21 GLN 60 1HE2 GLN 60 -10.286 -6.166 13.930 468 HE22 GLN 60 2HE2 GLN 60 -9.097 -5.146 14.659 469 H ARG 61 H ARG 61 -10.503 -4.544 7.711 470 HA ARG 61 HA ARG 61 -8.513 -4.603 5.594 471 HB2 ARG 61 2HB ARG 61 -10.808 -2.752 6.240 472 HB3 ARG 61 3HB ARG 61 -9.604 -2.306 5.044 473 HG2 ARG 61 2HG ARG 61 -11.298 -3.217 3.769 474 HG3 ARG 61 3HG ARG 61 -10.168 -4.556 3.930 475 HD2 ARG 61 2HD ARG 61 -11.538 -5.579 5.628 476 HD3 ARG 61 3HD ARG 61 -12.611 -4.175 5.666 477 HE ARG 61 HE ARG 61 -12.384 -5.444 3.085 478 HH11 ARG 61 1HH1 ARG 61 -14.128 -5.387 6.064 479 HH12 ARG 61 2HH1 ARG 61 -15.553 -6.064 5.357 480 HH21 ARG 61 1HH2 ARG 61 -14.209 -6.305 2.209 481 HH22 ARG 61 2HH2 ARG 61 -15.587 -6.612 3.206 482 H ARG 62 H ARG 62 -6.500 -4.125 6.283 483 HA ARG 62 HA ARG 62 -6.021 -2.135 8.338 484 HB2 ARG 62 2HB ARG 62 -4.010 -3.694 6.693 485 HB3 ARG 62 3HB ARG 62 -3.700 -2.839 8.199 486 HG2 ARG 62 2HG ARG 62 -5.528 -5.226 7.927 487 HG3 ARG 62 3HG ARG 62 -3.851 -5.298 8.464 488 HD2 ARG 62 2HD ARG 62 -6.012 -3.693 9.839 489 HD3 ARG 62 3HD ARG 62 -5.521 -5.317 10.320 490 HE ARG 62 HE ARG 62 -3.211 -3.835 10.291 491 HH11 ARG 62 1HH1 ARG 62 -6.224 -3.688 11.954 492 HH12 ARG 62 2HH1 ARG 62 -5.538 -2.931 13.346 493 HH21 ARG 62 1HH2 ARG 62 -2.347 -2.891 12.073 494 HH22 ARG 62 2HH2 ARG 62 -3.352 -2.488 13.421 495 H HIS 63 H HIS 63 -6.125 -0.032 7.751 496 HA HIS 63 HA HIS 63 -5.160 0.743 5.075 497 HB2 HIS 63 2HB HIS 63 -6.893 2.302 7.009 498 HB3 HIS 63 3HB HIS 63 -6.451 2.807 5.380 499 HD1 HIS 63 HD1 HIS 63 -7.481 1.307 3.392 500 HD2 HIS 63 HD2 HIS 63 -9.102 0.692 7.172 501 HE1 HIS 63 HE1 HIS 63 -9.665 0.130 3.010 502 HE2 HIS 63 HE2 HIS 63 -10.696 -0.065 5.290 503 H PHE 64 H PHE 64 -3.184 1.547 4.959 504 HA PHE 64 HA PHE 64 -2.100 3.112 7.217 505 HB2 PHE 64 2HB PHE 64 -0.536 1.628 5.081 506 HB3 PHE 64 3HB PHE 64 0.127 2.433 6.500 507 HD1 PHE 64 HD2 PHE 64 -0.583 1.529 8.802 508 HD2 PHE 64 HD1 PHE 64 -1.113 -0.627 5.165 509 HE1 PHE 64 HE2 PHE 64 -0.765 -0.571 10.074 510 HE2 PHE 64 HE1 PHE 64 -1.298 -2.726 6.432 511 HZ PHE 64 HZ PHE 64 -1.118 -2.700 8.889 512 H ILE 65 H ILE 65 -0.793 4.985 6.671 513 HA ILE 65 HA ILE 65 -1.496 6.129 4.037 514 HB ILE 65 HB ILE 65 -0.984 7.574 6.651 515 HG12 ILE 65 2HG1 ILE 65 -3.494 7.273 4.970 516 HG13 ILE 65 3HG1 ILE 65 -3.187 6.478 6.508 517 HG21 ILE 65 1HG2 ILE 65 -0.100 8.856 4.755 518 HG22 ILE 65 2HG2 ILE 65 -1.524 9.635 5.440 519 HG23 ILE 65 3HG2 ILE 65 -1.657 8.726 3.935 520 HD11 ILE 65 3HD1 ILE 65 -3.197 8.623 7.641 521 HD12 ILE 65 1HD1 ILE 65 -4.690 8.381 6.738 522 HD13 ILE 65 2HD1 ILE 65 -3.441 9.452 6.103 523 H ILE 66 H ILE 66 0.093 6.891 2.731 524 HA ILE 66 HA ILE 66 2.853 6.355 3.457 525 HB ILE 66 HB ILE 66 1.741 7.495 0.877 526 HG12 ILE 66 2HG1 ILE 66 2.487 4.642 1.591 527 HG13 ILE 66 3HG1 ILE 66 0.854 5.246 1.320 528 HG21 ILE 66 1HG2 ILE 66 4.455 6.314 1.504 529 HG22 ILE 66 2HG2 ILE 66 4.104 8.013 1.184 530 HG23 ILE 66 3HG2 ILE 66 3.899 6.815 -0.092 531 HD11 ILE 66 3HD1 ILE 66 1.433 5.713 -1.016 532 HD12 ILE 66 1HD1 ILE 66 1.658 4.014 -0.601 533 HD13 ILE 66 2HD1 ILE 66 3.056 5.081 -0.729 534 H GLN 67 H GLN 67 3.906 7.860 4.655 535 HA GLN 67 HA GLN 67 3.307 10.692 4.320 536 HB2 GLN 67 2HB GLN 67 5.286 9.300 6.144 537 HB3 GLN 67 3HB GLN 67 4.988 11.032 6.128 538 HG2 GLN 67 2HG GLN 67 3.734 10.263 7.929 539 HG3 GLN 67 3HG GLN 67 2.550 10.444 6.638 540 HE21 GLN 67 1HE2 GLN 67 1.145 8.976 7.591 541 HE22 GLN 67 2HE2 GLN 67 1.451 7.278 7.606 542 H TYR 68 H TYR 68 4.512 12.137 3.224 543 HA TYR 68 HA TYR 68 6.923 11.166 1.847 544 HB2 TYR 68 2HB TYR 68 5.077 12.120 0.473 545 HB3 TYR 68 3HB TYR 68 5.268 13.653 1.312 546 HD1 TYR 68 HD1 TYR 68 7.450 11.200 -0.502 547 HD2 TYR 68 HD2 TYR 68 6.429 15.283 0.143 548 HE1 TYR 68 HE1 TYR 68 9.099 11.874 -2.193 549 HE2 TYR 68 HE2 TYR 68 8.080 15.965 -1.547 550 HH TYR 68 HH TYR 68 10.025 15.169 -2.658 551 H VAL 69 H VAL 69 8.584 11.434 3.259 552 HA VAL 69 HA VAL 69 9.094 14.149 4.314 553 HB VAL 69 HB VAL 69 9.586 11.595 5.874 554 HG11 VAL 69 1HG1 VAL 69 10.063 13.088 7.754 555 HG12 VAL 69 2HG1 VAL 69 9.815 14.490 6.712 556 HG13 VAL 69 3HG1 VAL 69 11.158 13.389 6.405 557 HG21 VAL 69 3HG2 VAL 69 7.188 11.997 5.696 558 HG22 VAL 69 1HG2 VAL 69 7.407 13.657 6.253 559 HG23 VAL 69 2HG2 VAL 69 7.745 12.309 7.340 560 H ASP 70 H ASP 70 11.281 14.762 4.437 561 HA ASP 70 HA ASP 70 13.452 14.876 3.759 562 HB2 ASP 70 2HB ASP 70 13.394 11.853 4.017 563 HB3 ASP 70 3HB ASP 70 14.841 12.850 3.928 564 H ASN 71 H ASN 71 11.226 14.409 1.797 565 HA ASN 71 HA ASN 71 10.883 14.163 -0.424 566 HB2 ASN 71 2HB ASN 71 13.906 14.101 -0.540 567 HB3 ASN 71 3HB ASN 71 12.862 14.173 -1.959 568 HD21 ASN 71 1HD2 ASN 71 14.837 16.094 -1.013 569 HD22 ASN 71 2HD2 ASN 71 13.986 17.579 -0.790 570 H MET 72 H MET 72 10.969 11.860 1.365 571 HA MET 72 HA MET 72 11.069 9.805 -0.741 572 HB2 MET 72 2HB MET 72 12.104 9.461 2.088 573 HB3 MET 72 3HB MET 72 11.884 8.147 0.940 574 HG2 MET 72 2HG MET 72 13.534 9.206 -0.553 575 HG3 MET 72 3HG MET 72 13.776 10.478 0.643 576 HE1 MET 72 3HE MET 72 17.095 8.376 0.828 577 HE2 MET 72 1HE MET 72 16.391 9.963 0.516 578 HE3 MET 72 2HE MET 72 16.122 8.641 -0.620 579 H TYR 73 H TYR 73 9.398 8.344 -0.711 580 HA TYR 73 HA TYR 73 7.128 8.840 1.024 581 HB2 TYR 73 2HB TYR 73 7.567 6.770 -1.147 582 HB3 TYR 73 3HB TYR 73 6.045 7.040 -0.311 583 HD1 TYR 73 HD2 TYR 73 4.875 9.270 -0.604 584 HD2 TYR 73 HD1 TYR 73 8.174 8.082 -3.027 585 HE1 TYR 73 HE2 TYR 73 4.231 10.938 -2.292 586 HE2 TYR 73 HE1 TYR 73 7.534 9.747 -4.719 587 HH TYR 73 HH TYR 73 5.384 12.230 -4.145 588 H ARG 74 H ARG 74 6.495 7.591 2.770 589 HA ARG 74 HA ARG 74 7.866 5.053 3.280 590 HB2 ARG 74 2HB ARG 74 8.651 5.761 5.486 591 HB3 ARG 74 3HB ARG 74 9.361 6.746 4.213 592 HG2 ARG 74 2HG ARG 74 7.647 8.495 4.695 593 HG3 ARG 74 3HG ARG 74 7.111 7.523 6.069 594 HD2 ARG 74 2HD ARG 74 8.634 9.260 6.810 595 HD3 ARG 74 3HD ARG 74 9.367 7.671 7.035 596 HE ARG 74 HE ARG 74 10.268 8.482 4.595 597 HH11 ARG 74 1HH1 ARG 74 10.340 9.854 7.752 598 HH12 ARG 74 2HH1 ARG 74 11.821 10.700 7.463 599 HH21 ARG 74 1HH2 ARG 74 12.174 9.585 4.253 600 HH22 ARG 74 2HH2 ARG 74 12.835 10.555 5.517 601 H PHE 75 H PHE 75 6.925 3.736 4.862 602 HA PHE 75 HA PHE 75 4.263 4.537 5.864 603 HB2 PHE 75 2HB PHE 75 5.542 1.798 5.601 604 HB3 PHE 75 3HB PHE 75 3.980 2.089 6.351 605 HD1 PHE 75 HD1 PHE 75 2.096 2.971 4.948 606 HD2 PHE 75 HD2 PHE 75 5.757 1.588 3.256 607 HE1 PHE 75 HE1 PHE 75 0.990 2.714 2.767 608 HE2 PHE 75 HE2 PHE 75 4.650 1.330 1.072 609 HZ PHE 75 HZ PHE 75 2.266 1.895 0.826 610 H GLU 76 H GLU 76 7.178 2.770 6.874 611 HA GLU 76 HA GLU 76 6.829 3.777 9.629 612 HB2 GLU 76 2HB GLU 76 6.222 1.348 9.389 613 HB3 GLU 76 3HB GLU 76 7.869 1.030 8.871 614 HG2 GLU 76 2HG GLU 76 7.982 0.464 11.086 615 HG3 GLU 76 3HG GLU 76 8.509 2.144 11.147 616 H GLY 77 H GLY 77 8.326 5.467 9.040 617 HA2 GLY 77 2HA GLY 77 10.414 6.411 9.270 618 HA3 GLY 77 3HA GLY 77 11.020 4.832 9.729 619 H THR 78 H THR 78 11.608 3.341 7.997 620 HA THR 78 HA THR 78 13.311 4.511 6.097 621 HB THR 78 HB THR 78 12.169 1.705 6.002 622 HG1 THR 78 HG1 THR 78 13.899 1.131 7.301 623 HG21 THR 78 3HG2 THR 78 14.256 1.156 4.810 624 HG22 THR 78 1HG2 THR 78 14.712 2.860 4.831 625 HG23 THR 78 2HG2 THR 78 13.294 2.335 3.921 626 H GLY 79 H GLY 79 12.977 5.325 4.077 627 HA2 GLY 79 2HA GLY 79 10.464 4.604 2.692 628 HA3 GLY 79 3HA GLY 79 10.907 6.287 2.910 629 H PHE 80 H PHE 80 10.362 5.281 0.422 630 HA PHE 80 HA PHE 80 13.013 5.248 -0.899 631 HB2 PHE 80 2HB PHE 80 10.427 3.904 -1.715 632 HB3 PHE 80 3HB PHE 80 11.775 4.121 -2.825 633 HD1 PHE 80 HD1 PHE 80 11.084 2.753 0.590 634 HD2 PHE 80 HD2 PHE 80 13.280 2.388 -3.041 635 HE1 PHE 80 HE1 PHE 80 12.070 0.652 1.401 636 HE2 PHE 80 HE2 PHE 80 14.269 0.288 -2.231 637 HZ PHE 80 HZ PHE 80 13.664 -0.583 -0.009 638 H SER 81 H SER 81 13.152 6.361 -2.953 639 HA SER 81 HA SER 81 12.019 8.945 -2.892 640 HB2 SER 81 2HB SER 81 14.168 8.579 -3.943 641 HB3 SER 81 3HB SER 81 13.449 7.493 -5.134 642 HG SER 81 HG SER 81 13.827 9.682 -5.884 643 H ASN 82 H ASN 82 10.961 6.037 -4.552 644 HA ASN 82 HA ASN 82 8.696 7.550 -5.702 645 HB2 ASN 82 2HB ASN 82 10.250 5.298 -7.003 646 HB3 ASN 82 3HB ASN 82 8.733 5.939 -7.624 647 HD21 ASN 82 1HD2 ASN 82 12.114 6.564 -7.131 648 HD22 ASN 82 2HD2 ASN 82 12.210 7.942 -8.164 649 H ILE 83 H ILE 83 6.681 6.648 -5.500 650 HA ILE 83 HA ILE 83 6.199 4.682 -3.547 651 HB ILE 83 HB ILE 83 4.326 5.664 -5.715 652 HG12 ILE 83 2HG1 ILE 83 4.683 6.523 -2.827 653 HG13 ILE 83 3HG1 ILE 83 5.151 7.453 -4.246 654 HG21 ILE 83 1HG2 ILE 83 3.689 4.170 -3.162 655 HG22 ILE 83 2HG2 ILE 83 3.572 3.522 -4.799 656 HG23 ILE 83 3HG2 ILE 83 2.510 4.835 -4.293 657 HD11 ILE 83 3HD1 ILE 83 2.795 7.603 -4.903 658 HD12 ILE 83 1HD1 ILE 83 3.096 8.296 -3.310 659 HD13 ILE 83 2HD1 ILE 83 2.346 6.706 -3.451 660 HA PRO 84 HA PRO 84 5.244 1.614 -7.312 661 HB2 PRO 84 2HB PRO 84 7.014 2.093 -9.420 662 HB3 PRO 84 3HB PRO 84 5.296 2.498 -9.417 663 HG2 PRO 84 2HG PRO 84 7.656 4.240 -8.841 664 HG3 PRO 84 3HG PRO 84 6.165 4.623 -9.722 665 HD2 PRO 84 2HD PRO 84 6.536 5.469 -7.212 666 HD3 PRO 84 3HD PRO 84 4.938 4.924 -7.763 667 H GLN 85 H GLN 85 8.482 3.031 -6.899 668 HA GLN 85 HA GLN 85 9.842 0.504 -6.887 669 HB2 GLN 85 2HB GLN 85 10.721 3.265 -6.011 670 HB3 GLN 85 3HB GLN 85 11.783 1.863 -6.050 671 HG2 GLN 85 2HG GLN 85 10.337 2.989 -8.446 672 HG3 GLN 85 3HG GLN 85 12.016 3.330 -8.026 673 HE21 GLN 85 1HE2 GLN 85 9.790 0.885 -9.160 674 HE22 GLN 85 2HE2 GLN 85 10.991 -0.213 -9.739 675 H LEU 86 H LEU 86 8.566 2.669 -4.410 676 HA LEU 86 HA LEU 86 9.579 1.474 -2.104 677 HB2 LEU 86 2HB LEU 86 8.430 3.577 -1.990 678 HB3 LEU 86 3HB LEU 86 6.963 2.880 -2.648 679 HG LEU 86 HG LEU 86 6.692 1.554 -0.557 680 HD11 LEU 86 1HD1 LEU 86 9.027 1.451 0.137 681 HD12 LEU 86 2HD1 LEU 86 8.017 2.130 1.412 682 HD13 LEU 86 3HD1 LEU 86 9.030 3.191 0.432 683 HD21 LEU 86 3HD2 LEU 86 6.909 4.547 -0.193 684 HD22 LEU 86 1HD2 LEU 86 6.003 3.448 0.848 685 HD23 LEU 86 2HD2 LEU 86 5.520 3.668 -0.834 686 H ILE 87 H ILE 87 6.409 0.861 -3.641 687 HA ILE 87 HA ILE 87 5.743 -1.313 -1.952 688 HB ILE 87 HB ILE 87 4.629 -0.572 -4.664 689 HG12 ILE 87 2HG1 ILE 87 4.344 1.186 -2.974 690 HG13 ILE 87 3HG1 ILE 87 2.796 0.446 -3.369 691 HG21 ILE 87 1HG2 ILE 87 4.135 -2.904 -4.198 692 HG22 ILE 87 2HG2 ILE 87 2.670 -1.939 -4.024 693 HG23 ILE 87 3HG2 ILE 87 3.539 -2.487 -2.591 694 HD11 ILE 87 3HD1 ILE 87 4.454 -0.134 -0.920 695 HD12 ILE 87 1HD1 ILE 87 2.898 -0.865 -1.312 696 HD13 ILE 87 2HD1 ILE 87 3.003 0.864 -0.987 697 H ASP 88 H ASP 88 7.061 -1.223 -5.272 698 HA ASP 88 HA ASP 88 6.977 -3.961 -5.824 699 HB2 ASP 88 2HB ASP 88 7.475 -2.091 -7.439 700 HB3 ASP 88 3HB ASP 88 9.104 -2.027 -6.775 701 H HIS 89 H HIS 89 9.748 -2.080 -4.543 702 HA HIS 89 HA HIS 89 11.414 -4.346 -4.136 703 HB2 HIS 89 2HB HIS 89 12.262 -2.018 -4.349 704 HB3 HIS 89 3HB HIS 89 11.564 -1.641 -2.779 705 HD1 HIS 89 HD1 HIS 89 14.411 -3.476 -4.380 706 HD2 HIS 89 HD2 HIS 89 13.005 -2.595 -0.572 707 HE1 HIS 89 HE1 HIS 89 16.285 -4.069 -2.821 708 HE2 HIS 89 HE2 HIS 89 15.489 -3.328 -0.557 709 H HIS 90 H HIS 90 9.152 -2.617 -2.032 710 HA HIS 90 HA HIS 90 9.818 -3.940 0.387 711 HB2 HIS 90 2HB HIS 90 8.506 -1.792 0.130 712 HB3 HIS 90 3HB HIS 90 7.130 -2.765 -0.371 713 HD1 HIS 90 HD1 HIS 90 9.023 -1.651 2.610 714 HD2 HIS 90 HD2 HIS 90 5.961 -4.306 1.707 715 HE1 HIS 90 HE1 HIS 90 7.953 -2.210 4.803 716 HE2 HIS 90 HE2 HIS 90 6.288 -4.004 4.247 717 H TYR 91 H TYR 91 7.617 -4.691 -2.233 718 HA TYR 91 HA TYR 91 6.284 -6.895 -1.033 719 HB2 TYR 91 2HB TYR 91 5.234 -5.789 -2.878 720 HB3 TYR 91 3HB TYR 91 6.653 -5.992 -3.897 721 HD1 TYR 91 HD1 TYR 91 3.850 -7.824 -2.286 722 HD2 TYR 91 HD2 TYR 91 6.915 -7.927 -5.240 723 HE1 TYR 91 HE1 TYR 91 2.884 -9.883 -3.215 724 HE2 TYR 91 HE2 TYR 91 5.960 -9.991 -6.168 725 HH TYR 91 HH TYR 91 4.547 -11.768 -5.626 726 H THR 92 H THR 92 8.943 -6.717 -3.410 727 HA THR 92 HA THR 92 9.321 -9.514 -3.615 728 HB THR 92 HB THR 92 11.529 -8.921 -4.665 729 HG1 THR 92 HG1 THR 92 11.005 -6.269 -4.915 730 HG21 THR 92 3HG2 THR 92 10.534 -7.792 -6.621 731 HG22 THR 92 1HG2 THR 92 9.099 -7.418 -5.667 732 HG23 THR 92 2HG2 THR 92 9.506 -9.097 -6.028 733 H THR 93 H THR 93 10.567 -7.178 -1.326 734 HA THR 93 HA THR 93 12.498 -9.080 -0.234 735 HB THR 93 HB THR 93 13.002 -7.344 1.453 736 HG1 THR 93 HG1 THR 93 11.337 -5.537 0.055 737 HG21 THR 93 3HG2 THR 93 13.976 -5.683 -0.080 738 HG22 THR 93 1HG2 THR 93 12.984 -6.317 -1.392 739 HG23 THR 93 2HG2 THR 93 14.229 -7.330 -0.662 740 H LYS 94 H LYS 94 9.209 -8.539 0.097 741 HA LYS 94 HA LYS 94 7.601 -9.275 1.519 742 HB2 LYS 94 2HB LYS 94 9.437 -11.324 1.274 743 HB3 LYS 94 3HB LYS 94 9.288 -11.166 3.019 744 HG2 LYS 94 2HG LYS 94 7.735 -12.832 2.123 745 HG3 LYS 94 3HG LYS 94 6.871 -11.478 2.861 746 HD2 LYS 94 2HD LYS 94 6.466 -10.508 0.660 747 HD3 LYS 94 3HD LYS 94 7.398 -11.797 -0.103 748 HE2 LYS 94 2HE LYS 94 5.759 -13.442 0.686 749 HE3 LYS 94 3HE LYS 94 4.832 -12.152 1.454 750 HZ1 LYS 94 3HZ LYS 94 4.449 -11.171 -0.706 751 HZ2 LYS 94 1HZ LYS 94 3.922 -12.778 -0.707 752 HZ3 LYS 94 2HZ LYS 94 5.377 -12.367 -1.459 753 H GLN 95 H GLN 95 9.214 -7.042 2.365 754 HA GLN 95 HA GLN 95 9.694 -7.257 5.209 755 HB2 GLN 95 2HB GLN 95 10.795 -5.720 3.323 756 HB3 GLN 95 3HB GLN 95 9.508 -4.622 3.781 757 HG2 GLN 95 2HG GLN 95 11.588 -5.743 5.653 758 HG3 GLN 95 3HG GLN 95 11.644 -4.151 4.908 759 HE21 GLN 95 1HE2 GLN 95 10.101 -2.594 5.562 760 HE22 GLN 95 2HE2 GLN 95 9.292 -2.721 7.080 761 H VAL 96 H VAL 96 8.425 -6.286 6.886 762 HA VAL 96 HA VAL 96 5.606 -6.169 6.352 763 HB VAL 96 HB VAL 96 5.294 -5.732 8.711 764 HG11 VAL 96 1HG1 VAL 96 5.798 -8.028 8.066 765 HG12 VAL 96 2HG1 VAL 96 6.444 -7.673 9.667 766 HG13 VAL 96 3HG1 VAL 96 7.525 -7.721 8.273 767 HG21 VAL 96 3HG2 VAL 96 7.191 -5.388 10.242 768 HG22 VAL 96 1HG2 VAL 96 7.042 -4.076 9.072 769 HG23 VAL 96 2HG2 VAL 96 8.285 -5.309 8.860 770 H ILE 97 H ILE 97 4.211 -4.416 6.365 771 HA ILE 97 HA ILE 97 5.079 -1.971 5.326 772 HB ILE 97 HB ILE 97 2.506 -2.582 6.801 773 HG12 ILE 97 2HG1 ILE 97 2.858 -3.983 4.814 774 HG13 ILE 97 3HG1 ILE 97 1.551 -2.835 4.542 775 HG21 ILE 97 1HG2 ILE 97 2.882 -0.181 6.753 776 HG22 ILE 97 2HG2 ILE 97 1.578 -0.612 5.648 777 HG23 ILE 97 3HG2 ILE 97 3.182 -0.239 5.017 778 HD11 ILE 97 3HD1 ILE 97 2.973 -3.049 2.585 779 HD12 ILE 97 1HD1 ILE 97 4.377 -2.563 3.533 780 HD13 ILE 97 2HD1 ILE 97 3.062 -1.420 3.251 781 H THR 98 H THR 98 3.491 -2.222 8.507 782 HA THR 98 HA THR 98 5.568 -0.453 9.643 783 HB THR 98 HB THR 98 3.890 0.440 11.212 784 HG1 THR 98 HG1 THR 98 1.585 -0.154 10.207 785 HG21 THR 98 3HG2 THR 98 4.266 1.636 9.087 786 HG22 THR 98 1HG2 THR 98 2.606 1.819 9.655 787 HG23 THR 98 2HG2 THR 98 2.969 0.702 8.341 788 H LYS 99 H LYS 99 6.522 -1.161 11.516 789 HA LYS 99 HA LYS 99 6.191 -3.895 12.243 790 HB2 LYS 99 2HB LYS 99 7.767 -1.638 13.482 791 HB3 LYS 99 3HB LYS 99 7.753 -3.253 14.172 792 HG2 LYS 99 2HG LYS 99 9.715 -3.012 12.836 793 HG3 LYS 99 3HG LYS 99 8.629 -4.133 12.021 794 HD2 LYS 99 2HD LYS 99 7.904 -2.319 10.523 795 HD3 LYS 99 3HD LYS 99 9.008 -1.210 11.339 796 HE2 LYS 99 2HE LYS 99 9.825 -3.720 9.865 797 HE3 LYS 99 3HE LYS 99 9.945 -2.080 9.227 798 HZ1 LYS 99 3HZ LYS 99 12.049 -2.933 10.148 799 HZ2 LYS 99 1HZ LYS 99 11.331 -3.035 11.676 800 HZ3 LYS 99 2HZ LYS 99 11.524 -1.530 10.929 801 H LYS 100 H LYS 100 4.678 -0.998 13.272 802 HA LYS 100 HA LYS 100 3.725 -1.812 15.804 803 HB2 LYS 100 2HB LYS 100 2.508 0.090 13.784 804 HB3 LYS 100 3HB LYS 100 1.997 -0.055 15.461 805 HG2 LYS 100 2HG LYS 100 4.140 0.741 16.236 806 HG3 LYS 100 3HG LYS 100 4.775 0.747 14.589 807 HD2 LYS 100 2HD LYS 100 3.153 2.479 13.968 808 HD3 LYS 100 3HD LYS 100 2.498 2.463 15.607 809 HE2 LYS 100 2HE LYS 100 4.045 4.342 15.253 810 HE3 LYS 100 3HE LYS 100 4.634 3.232 16.490 811 HZ1 LYS 100 3HZ LYS 100 6.338 4.008 14.866 812 HZ2 LYS 100 1HZ LYS 100 5.528 3.145 13.660 813 HZ3 LYS 100 2HZ LYS 100 6.203 2.330 14.978 814 H SER 101 H SER 101 2.544 -2.401 12.524 815 HA SER 101 HA SER 101 0.152 -3.752 13.590 816 HB2 SER 101 2HB SER 101 -0.160 -2.021 11.828 817 HB3 SER 101 3HB SER 101 0.773 -3.022 10.718 818 HG SER 101 HG SER 101 -0.967 -4.686 11.468 819 H GLY 102 H GLY 102 2.931 -4.359 11.458 820 HA2 GLY 102 2HA GLY 102 4.034 -6.349 11.034 821 HA3 GLY 102 3HA GLY 102 2.909 -7.166 12.101 822 H VAL 103 H VAL 103 2.327 -5.340 9.085 823 HA VAL 103 HA VAL 103 0.971 -7.725 7.992 824 HB VAL 103 HB VAL 103 0.687 -4.836 7.120 825 HG11 VAL 103 1HG1 VAL 103 -1.254 -5.651 5.843 826 HG12 VAL 103 2HG1 VAL 103 -0.867 -7.304 6.319 827 HG13 VAL 103 3HG1 VAL 103 0.252 -6.394 5.302 828 HG21 VAL 103 3HG2 VAL 103 -1.505 -4.893 8.203 829 HG22 VAL 103 1HG2 VAL 103 -0.218 -5.199 9.371 830 HG23 VAL 103 2HG2 VAL 103 -1.197 -6.536 8.767 831 H VAL 104 H VAL 104 1.652 -8.655 6.103 832 HA VAL 104 HA VAL 104 4.028 -7.488 4.784 833 HB VAL 104 HB VAL 104 3.152 -10.389 4.792 834 HG11 VAL 104 1HG1 VAL 104 5.738 -9.107 3.895 835 HG12 VAL 104 2HG1 VAL 104 4.498 -9.794 2.844 836 HG13 VAL 104 3HG1 VAL 104 5.408 -10.840 3.935 837 HG21 VAL 104 3HG2 VAL 104 4.999 -10.768 6.373 838 HG22 VAL 104 1HG2 VAL 104 3.766 -9.702 7.046 839 HG23 VAL 104 2HG2 VAL 104 5.284 -9.028 6.449 840 H LEU 105 H LEU 105 4.228 -7.794 2.439 841 HA LEU 105 HA LEU 105 1.631 -7.486 1.118 842 HB2 LEU 105 2HB LEU 105 4.422 -6.901 0.125 843 HB3 LEU 105 3HB LEU 105 2.952 -6.608 -0.786 844 HG LEU 105 HG LEU 105 3.786 -5.233 1.777 845 HD11 LEU 105 1HD1 LEU 105 4.997 -4.481 -0.213 846 HD12 LEU 105 2HD1 LEU 105 3.908 -3.233 0.385 847 HD13 LEU 105 3HD1 LEU 105 3.466 -4.177 -1.038 848 HD21 LEU 105 3HD2 LEU 105 1.772 -3.850 1.474 849 HD22 LEU 105 1HD2 LEU 105 1.372 -5.543 1.768 850 HD23 LEU 105 2HD2 LEU 105 1.270 -4.883 0.136 851 H LEU 106 H LEU 106 0.738 -9.151 0.119 852 HA LEU 106 HA LEU 106 2.367 -10.799 -1.666 853 HB2 LEU 106 2HB LEU 106 1.043 -12.844 -0.969 854 HB3 LEU 106 3HB LEU 106 2.269 -12.291 0.151 855 HG LEU 106 HG LEU 106 -0.615 -11.508 0.527 856 HD11 LEU 106 1HD1 LEU 106 -0.894 -13.430 2.016 857 HD12 LEU 106 2HD1 LEU 106 0.701 -14.028 1.550 858 HD13 LEU 106 3HD1 LEU 106 -0.593 -13.943 0.355 859 HD21 LEU 106 3HD2 LEU 106 1.044 -10.300 1.839 860 HD22 LEU 106 1HD2 LEU 106 1.714 -11.823 2.429 861 HD23 LEU 106 2HD2 LEU 106 0.076 -11.344 2.879 862 H ASN 107 H ASN 107 1.116 -11.877 -3.326 863 HA ASN 107 HA ASN 107 -0.131 -11.389 -5.195 864 HB2 ASN 107 2HB ASN 107 -2.512 -12.229 -4.814 865 HB3 ASN 107 3HB ASN 107 -1.181 -13.319 -4.472 866 HD21 ASN 107 1HD2 ASN 107 -2.355 -10.717 -2.353 867 HD22 ASN 107 2HD2 ASN 107 -2.895 -11.778 -1.111 868 HA PRO 108 HA PRO 108 -1.695 -7.132 -4.511 869 HB2 PRO 108 2HB PRO 108 -0.827 -6.169 -6.901 870 HB3 PRO 108 3HB PRO 108 0.229 -6.312 -5.489 871 HG2 PRO 108 2HG PRO 108 -0.048 -8.160 -7.839 872 HG3 PRO 108 3HG PRO 108 1.426 -7.570 -7.046 873 HD2 PRO 108 2HD PRO 108 0.393 -10.025 -6.550 874 HD3 PRO 108 3HD PRO 108 1.255 -9.089 -5.311 875 H ILE 109 H ILE 109 -3.648 -6.296 -5.188 876 HA ILE 109 HA ILE 109 -5.188 -7.912 -7.080 877 HB ILE 109 HB ILE 109 -6.119 -5.683 -5.256 878 HG12 ILE 109 2HG1 ILE 109 -5.309 -7.639 -4.004 879 HG13 ILE 109 3HG1 ILE 109 -7.055 -7.486 -3.867 880 HG21 ILE 109 1HG2 ILE 109 -7.587 -5.913 -7.176 881 HG22 ILE 109 2HG2 ILE 109 -8.388 -6.544 -5.738 882 HG23 ILE 109 3HG2 ILE 109 -7.696 -7.655 -6.920 883 HD11 ILE 109 3HD1 ILE 109 -6.401 -9.799 -4.148 884 HD12 ILE 109 1HD1 ILE 109 -5.584 -9.406 -5.663 885 HD13 ILE 109 2HD1 ILE 109 -7.337 -9.248 -5.539 886 HA PRO 110 HA PRO 110 -4.391 -4.807 -10.261 887 HB2 PRO 110 2HB PRO 110 -6.274 -6.485 -11.819 888 HB3 PRO 110 3HB PRO 110 -4.610 -6.021 -12.190 889 HG2 PRO 110 2HG PRO 110 -5.209 -8.519 -11.450 890 HG3 PRO 110 3HG PRO 110 -3.707 -7.739 -10.915 891 HD2 PRO 110 2HD PRO 110 -6.277 -8.132 -9.406 892 HD3 PRO 110 3HD PRO 110 -4.602 -8.355 -8.853 893 H LYS 111 H LYS 111 -5.801 -3.523 -11.805 894 HA LYS 111 HA LYS 111 -8.326 -2.798 -10.448 895 HB2 LYS 111 2HB LYS 111 -7.902 -0.477 -11.232 896 HB3 LYS 111 3HB LYS 111 -6.683 -1.071 -10.113 897 HG2 LYS 111 2HG LYS 111 -5.207 -1.565 -12.048 898 HG3 LYS 111 3HG LYS 111 -6.415 -0.842 -13.110 899 HD2 LYS 111 2HD LYS 111 -6.168 1.300 -11.993 900 HD3 LYS 111 3HD LYS 111 -5.053 0.593 -10.823 901 HE2 LYS 111 2HE LYS 111 -3.487 0.087 -12.680 902 HE3 LYS 111 3HE LYS 111 -4.589 0.896 -13.797 903 HZ1 LYS 111 3HZ LYS 111 -4.273 2.951 -12.614 904 HZ2 LYS 111 1HZ LYS 111 -2.762 2.333 -13.052 905 HZ3 LYS 111 2HZ LYS 111 -3.298 2.193 -11.453 906 H ASP 112 H ASP 112 -9.980 -1.797 -11.779 907 HA ASP 112 HA ASP 112 -10.154 -3.010 -14.429 908 HB2 ASP 112 2HB ASP 112 -12.077 -3.278 -12.952 909 HB3 ASP 112 3HB ASP 112 -12.209 -1.533 -12.755 910 H LYS 113 H LYS 113 -10.929 -1.740 -16.254 911 HA LYS 113 HA LYS 113 -9.533 0.817 -16.414 912 HB2 LYS 113 2HB LYS 113 -9.968 0.666 -18.860 913 HB3 LYS 113 3HB LYS 113 -9.083 -0.715 -18.235 914 HG2 LYS 113 2HG LYS 113 -12.047 -0.925 -18.455 915 HG3 LYS 113 3HG LYS 113 -11.088 -0.998 -19.932 916 HD2 LYS 113 2HD LYS 113 -9.947 -2.940 -19.222 917 HD3 LYS 113 3HD LYS 113 -10.474 -2.751 -17.556 918 HE2 LYS 113 2HE LYS 113 -12.805 -3.172 -18.278 919 HE3 LYS 113 3HE LYS 113 -12.219 -3.448 -19.918 920 HZ1 LYS 113 3HZ LYS 113 -11.525 -5.041 -17.512 921 HZ2 LYS 113 1HZ LYS 113 -10.870 -5.285 -19.053 922 HZ3 LYS 113 2HZ LYS 113 -12.523 -5.531 -18.782 923 H LYS 114 H LYS 114 -11.336 1.528 -14.829 924 HA LYS 114 HA LYS 114 -13.968 1.913 -15.850 925 HB2 LYS 114 2HB LYS 114 -13.432 1.717 -13.430 926 HB3 LYS 114 3HB LYS 114 -12.646 3.287 -13.499 927 HG2 LYS 114 2HG LYS 114 -14.888 3.471 -12.570 928 HG3 LYS 114 3HG LYS 114 -14.760 4.342 -14.097 929 HD2 LYS 114 2HD LYS 114 -16.832 3.214 -14.193 930 HD3 LYS 114 3HD LYS 114 -15.745 2.266 -15.203 931 HE2 LYS 114 2HE LYS 114 -16.500 1.630 -12.346 932 HE3 LYS 114 3HE LYS 114 -17.172 0.856 -13.776 933 HZ1 LYS 114 3HZ LYS 114 -14.400 0.671 -12.741 934 HZ2 LYS 114 1HZ LYS 114 -14.825 0.151 -14.295 935 HZ3 LYS 114 2HZ LYS 114 -15.524 -0.569 -12.939 936 H TRP 115 H TRP 115 -13.667 2.963 -17.843 937 HA TRP 115 HA TRP 115 -12.467 5.536 -18.100 938 HB2 TRP 115 2HB TRP 115 -13.557 5.563 -20.331 939 HB3 TRP 115 3HB TRP 115 -12.674 4.071 -20.030 940 HD1 TRP 115 HD1 TRP 115 -14.226 1.861 -19.437 941 HE1 TRP 115 HE1 TRP 115 -16.593 1.252 -20.249 942 HE3 TRP 115 HE3 TRP 115 -15.759 6.475 -21.015 943 HZ2 TRP 115 HZ2 TRP 115 -18.805 2.552 -21.418 944 HZ3 TRP 115 HZ3 TRP 115 -18.012 6.707 -21.975 945 HH2 TRP 115 HH2 TRP 115 -19.504 4.784 -22.173 946 H ILE 116 H ILE 116 -15.553 4.468 -17.047 947 HA ILE 116 HA ILE 116 -17.147 6.723 -17.619 948 HB ILE 116 HB ILE 116 -17.447 4.775 -15.320 949 HG12 ILE 116 2HG1 ILE 116 -18.639 4.657 -18.109 950 HG13 ILE 116 3HG1 ILE 116 -17.307 3.657 -17.539 951 HG21 ILE 116 1HG2 ILE 116 -19.826 5.385 -15.393 952 HG22 ILE 116 2HG2 ILE 116 -19.482 6.571 -16.652 953 HG23 ILE 116 3HG2 ILE 116 -18.807 6.781 -15.036 954 HD11 ILE 116 3HD1 ILE 116 -18.794 2.672 -15.855 955 HD12 ILE 116 1HD1 ILE 116 -19.372 2.419 -17.503 956 HD13 ILE 116 2HD1 ILE 116 -20.124 3.647 -16.485 Start of MODEL 2 1 H1 MET 1 1H MET 1 19.408 -26.317 -31.993 2 H2 MET 1 2H MET 1 18.686 -26.463 -30.470 3 H3 MET 1 3H MET 1 19.891 -25.307 -30.734 4 HA MET 1 HA MET 1 18.516 -24.082 -32.226 5 HB2 MET 1 2HB MET 1 16.137 -24.773 -32.551 6 HB3 MET 1 3HB MET 1 17.299 -25.891 -33.251 7 HG2 MET 1 2HG MET 1 15.544 -27.142 -32.212 8 HG3 MET 1 3HG MET 1 17.021 -27.355 -31.273 9 HE1 MET 1 3HE MET 1 14.156 -28.140 -30.131 10 HE2 MET 1 1HE MET 1 14.261 -27.484 -28.498 11 HE3 MET 1 2HE MET 1 15.650 -28.307 -29.209 12 H GLY 2 H GLY 2 19.241 -24.188 -29.378 13 HA2 GLY 2 2HA GLY 2 17.304 -23.970 -27.490 14 HA3 GLY 2 3HA GLY 2 18.758 -22.996 -27.469 15 H HIS 3 H HIS 3 18.655 -20.867 -28.600 16 HA HIS 3 HA HIS 3 17.727 -18.802 -28.871 17 HB2 HIS 3 2HB HIS 3 16.652 -19.888 -30.792 18 HB3 HIS 3 3HB HIS 3 15.328 -20.428 -29.771 19 HD1 HIS 3 HD1 HIS 3 16.853 -17.150 -30.971 20 HD2 HIS 3 HD2 HIS 3 13.211 -18.714 -29.726 21 HE1 HIS 3 HE1 HIS 3 15.179 -15.319 -31.326 22 HE2 HIS 3 HE2 HIS 3 13.015 -16.237 -30.441 23 H HIS 4 H HIS 4 17.308 -20.359 -26.292 24 HA HIS 4 HA HIS 4 14.784 -19.245 -25.298 25 HB2 HIS 4 2HB HIS 4 15.341 -21.643 -24.886 26 HB3 HIS 4 3HB HIS 4 16.720 -21.129 -23.920 27 HD1 HIS 4 HD1 HIS 4 16.273 -20.540 -21.502 28 HD2 HIS 4 HD2 HIS 4 12.784 -20.979 -23.716 29 HE1 HIS 4 HE1 HIS 4 14.407 -20.464 -19.830 30 HE2 HIS 4 HE2 HIS 4 12.305 -20.565 -21.208 31 H HIS 5 H HIS 5 17.448 -17.742 -25.762 32 HA HIS 5 HA HIS 5 18.365 -16.891 -23.211 33 HB2 HIS 5 2HB HIS 5 19.595 -16.674 -25.423 34 HB3 HIS 5 3HB HIS 5 18.542 -15.311 -25.784 35 HD1 HIS 5 HD1 HIS 5 19.705 -13.175 -25.338 36 HD2 HIS 5 HD2 HIS 5 20.845 -16.128 -22.644 37 HE1 HIS 5 HE1 HIS 5 21.388 -12.095 -23.825 38 HE2 HIS 5 HE2 HIS 5 22.146 -13.928 -22.284 39 H HIS 6 H HIS 6 16.893 -16.090 -21.821 40 HA HIS 6 HA HIS 6 14.544 -14.693 -22.677 41 HB2 HIS 6 2HB HIS 6 14.680 -16.299 -20.744 42 HB3 HIS 6 3HB HIS 6 15.560 -15.065 -19.851 43 HD1 HIS 6 HD1 HIS 6 14.190 -13.193 -18.788 44 HD2 HIS 6 HD2 HIS 6 11.933 -15.704 -21.214 45 HE1 HIS 6 HE1 HIS 6 11.799 -12.588 -18.343 46 HE2 HIS 6 HE2 HIS 6 10.459 -14.030 -19.905 47 H HIS 7 H HIS 7 13.865 -12.589 -22.120 48 HA HIS 7 HA HIS 7 16.033 -10.622 -21.850 49 HB2 HIS 7 2HB HIS 7 13.114 -10.255 -22.583 50 HB3 HIS 7 3HB HIS 7 14.334 -8.986 -22.592 51 HD1 HIS 7 HD1 HIS 7 13.280 -12.080 -24.469 52 HD2 HIS 7 HD2 HIS 7 15.934 -8.903 -24.851 53 HE1 HIS 7 HE1 HIS 7 14.125 -12.183 -26.826 54 HE2 HIS 7 HE2 HIS 7 15.490 -10.098 -27.093 55 H HIS 8 H HIS 8 14.891 -8.457 -20.742 56 HA HIS 8 HA HIS 8 13.396 -9.220 -18.341 57 HB2 HIS 8 2HB HIS 8 15.745 -9.252 -17.628 58 HB3 HIS 8 3HB HIS 8 15.966 -7.615 -18.240 59 HD1 HIS 8 HD1 HIS 8 15.558 -5.773 -16.608 60 HD2 HIS 8 HD2 HIS 8 13.818 -9.346 -15.394 61 HE1 HIS 8 HE1 HIS 8 14.667 -5.339 -14.302 62 HE2 HIS 8 HE2 HIS 8 13.793 -7.561 -13.520 63 H SER 9 H SER 9 11.719 -7.900 -18.080 64 HA SER 9 HA SER 9 11.471 -5.491 -19.665 65 HB2 SER 9 2HB SER 9 9.173 -5.407 -18.771 66 HB3 SER 9 3HB SER 9 9.554 -7.007 -19.408 67 HG SER 9 HG SER 9 8.789 -6.315 -16.928 68 H HIS 10 H HIS 10 10.851 -3.402 -18.788 69 HA HIS 10 HA HIS 10 12.298 -2.772 -16.335 70 HB2 HIS 10 2HB HIS 10 11.929 -0.412 -16.951 71 HB3 HIS 10 3HB HIS 10 12.670 -1.321 -18.261 72 HD1 HIS 10 HD1 HIS 10 11.633 -0.967 -20.482 73 HD2 HIS 10 HD2 HIS 10 8.978 -0.126 -17.401 74 HE1 HIS 10 HE1 HIS 10 9.576 -0.064 -21.594 75 HE2 HIS 10 HE2 HIS 10 7.918 0.230 -19.730 76 H MET 11 H MET 11 11.147 -0.865 -15.027 77 HA MET 11 HA MET 11 8.657 -2.049 -14.053 78 HB2 MET 11 2HB MET 11 10.426 -1.599 -12.423 79 HB3 MET 11 3HB MET 11 10.420 0.103 -12.863 80 HG2 MET 11 2HG MET 11 8.123 0.303 -12.035 81 HG3 MET 11 3HG MET 11 8.144 -1.400 -11.579 82 HE1 MET 11 3HE MET 11 10.829 -1.477 -8.742 83 HE2 MET 11 1HE MET 11 11.087 -1.796 -10.458 84 HE3 MET 11 2HE MET 11 9.641 -2.409 -9.652 85 H LYS 12 H LYS 12 6.722 -1.203 -14.383 86 HA LYS 12 HA LYS 12 6.220 1.120 -15.917 87 HB2 LYS 12 2HB LYS 12 4.513 -0.674 -14.200 88 HB3 LYS 12 3HB LYS 12 3.833 0.755 -14.960 89 HG2 LYS 12 2HG LYS 12 5.241 -1.413 -16.507 90 HG3 LYS 12 3HG LYS 12 3.504 -1.417 -16.190 91 HD2 LYS 12 2HD LYS 12 3.369 0.831 -17.274 92 HD3 LYS 12 3HD LYS 12 5.071 0.678 -17.706 93 HE2 LYS 12 2HE LYS 12 4.624 -1.180 -19.130 94 HE3 LYS 12 3HE LYS 12 2.971 -1.324 -18.530 95 HZ1 LYS 12 3HZ LYS 12 2.426 0.775 -19.541 96 HZ2 LYS 12 1HZ LYS 12 3.094 -0.248 -20.713 97 HZ3 LYS 12 2HZ LYS 12 4.023 1.000 -20.048 98 HA PRO 13 HA PRO 13 6.119 4.312 -12.713 99 HB2 PRO 13 2HB PRO 13 4.360 6.056 -13.850 100 HB3 PRO 13 3HB PRO 13 6.035 5.891 -14.387 101 HG2 PRO 13 2HG PRO 13 3.546 4.705 -15.559 102 HG3 PRO 13 3HG PRO 13 4.920 5.462 -16.386 103 HD2 PRO 13 2HD PRO 13 4.628 2.770 -16.211 104 HD3 PRO 13 3HD PRO 13 6.220 3.554 -16.238 105 H LEU 14 H LEU 14 4.501 5.460 -11.304 106 HA LEU 14 HA LEU 14 3.020 3.627 -9.884 107 HB2 LEU 14 2HB LEU 14 3.788 5.780 -9.001 108 HB3 LEU 14 3HB LEU 14 2.601 6.617 -9.983 109 HG LEU 14 HG LEU 14 0.783 5.520 -8.707 110 HD11 LEU 14 1HD1 LEU 14 3.014 4.416 -7.000 111 HD12 LEU 14 2HD1 LEU 14 1.953 3.482 -8.056 112 HD13 LEU 14 3HD1 LEU 14 1.290 4.310 -6.648 113 HD21 LEU 14 3HD2 LEU 14 2.794 6.986 -6.994 114 HD22 LEU 14 1HD2 LEU 14 1.079 6.783 -6.634 115 HD23 LEU 14 2HD2 LEU 14 1.579 7.727 -8.036 116 H ALA 15 H ALA 15 1.706 5.969 -12.252 117 HA ALA 15 HA ALA 15 -1.002 5.317 -11.914 118 HB1 ALA 15 3HB ALA 15 -0.221 7.312 -13.099 119 HB2 ALA 15 1HB ALA 15 -1.371 6.387 -14.066 120 HB3 ALA 15 2HB ALA 15 0.356 6.299 -14.423 121 H GLU 16 H GLU 16 1.438 3.884 -14.048 122 HA GLU 16 HA GLU 16 -0.366 2.159 -15.450 123 HB2 GLU 16 2HB GLU 16 2.643 2.088 -15.132 124 HB3 GLU 16 3HB GLU 16 1.746 1.017 -16.195 125 HG2 GLU 16 2HG GLU 16 1.615 4.007 -16.450 126 HG3 GLU 16 3HG GLU 16 2.860 3.045 -17.242 127 H GLN 17 H GLN 17 1.306 1.979 -12.427 128 HA GLN 17 HA GLN 17 1.456 -0.774 -12.008 129 HB2 GLN 17 2HB GLN 17 0.953 1.458 -10.029 130 HB3 GLN 17 3HB GLN 17 1.308 -0.201 -9.565 131 HG2 GLN 17 2HG GLN 17 3.126 1.559 -11.206 132 HG3 GLN 17 3HG GLN 17 3.276 1.283 -9.469 133 HE21 GLN 17 1HE2 GLN 17 5.160 0.684 -11.607 134 HE22 GLN 17 2HE2 GLN 17 5.468 -1.010 -11.506 135 H ASP 18 H ASP 18 0.015 -2.315 -11.677 136 HA ASP 18 HA ASP 18 -2.742 -1.772 -12.142 137 HB2 ASP 18 2HB ASP 18 -2.906 -4.312 -11.706 138 HB3 ASP 18 3HB ASP 18 -1.958 -3.759 -13.081 139 H TRP 19 H TRP 19 -0.911 -2.627 -9.236 140 HA TRP 19 HA TRP 19 -3.142 -2.930 -7.520 141 HB2 TRP 19 2HB TRP 19 -1.400 -2.407 -5.690 142 HB3 TRP 19 3HB TRP 19 -1.153 -3.835 -6.685 143 HD1 TRP 19 HD1 TRP 19 0.928 -3.843 -8.339 144 HE1 TRP 19 HE1 TRP 19 3.048 -2.393 -8.469 145 HE3 TRP 19 HE3 TRP 19 -0.533 0.003 -5.307 146 HZ2 TRP 19 HZ2 TRP 19 3.989 0.043 -7.410 147 HZ3 TRP 19 HZ3 TRP 19 1.044 1.852 -4.908 148 HH2 TRP 19 HH2 TRP 19 3.257 1.871 -5.937 149 H TYR 20 H TYR 20 -1.794 -0.125 -8.935 150 HA TYR 20 HA TYR 20 -3.090 1.670 -7.021 151 HB2 TYR 20 2HB TYR 20 -0.915 2.364 -7.888 152 HB3 TYR 20 3HB TYR 20 -1.503 2.237 -9.543 153 HD1 TYR 20 HD2 TYR 20 -2.061 4.090 -6.351 154 HD2 TYR 20 HD1 TYR 20 -2.484 4.101 -10.594 155 HE1 TYR 20 HE2 TYR 20 -2.796 6.435 -6.272 156 HE2 TYR 20 HE1 TYR 20 -3.220 6.444 -10.517 157 HH TYR 20 HH TYR 20 -2.799 8.434 -7.927 158 H HIS 21 H HIS 21 -5.236 2.006 -7.231 159 HA HIS 21 HA HIS 21 -6.495 1.479 -9.840 160 HB2 HIS 21 2HB HIS 21 -7.564 1.426 -7.021 161 HB3 HIS 21 3HB HIS 21 -8.625 1.365 -8.424 162 HD1 HIS 21 HD1 HIS 21 -9.213 -0.926 -9.116 163 HD2 HIS 21 HD2 HIS 21 -5.500 -0.800 -7.252 164 HE1 HIS 21 HE1 HIS 21 -8.414 -3.302 -9.045 165 HE2 HIS 21 HE2 HIS 21 -6.080 -3.159 -8.126 166 H GLY 22 H GLY 22 -5.270 4.142 -8.879 167 HA2 GLY 22 2HA GLY 22 -5.647 6.313 -9.550 168 HA3 GLY 22 3HA GLY 22 -7.052 5.724 -10.412 169 H ALA 23 H ALA 23 -6.340 5.827 -6.921 170 HA ALA 23 HA ALA 23 -7.333 6.867 -5.163 171 HB1 ALA 23 3HB ALA 23 -8.229 8.912 -7.190 172 HB2 ALA 23 1HB ALA 23 -6.642 8.877 -6.421 173 HB3 ALA 23 2HB ALA 23 -8.088 9.139 -5.446 174 H ILE 24 H ILE 24 -8.821 5.014 -5.057 175 HA ILE 24 HA ILE 24 -11.582 5.603 -5.869 176 HB ILE 24 HB ILE 24 -12.093 3.282 -5.423 177 HG12 ILE 24 2HG1 ILE 24 -9.221 2.970 -4.495 178 HG13 ILE 24 3HG1 ILE 24 -10.624 3.006 -3.431 179 HG21 ILE 24 1HG2 ILE 24 -11.130 3.784 -7.597 180 HG22 ILE 24 2HG2 ILE 24 -10.628 2.183 -7.056 181 HG23 ILE 24 3HG2 ILE 24 -9.506 3.539 -6.954 182 HD11 ILE 24 3HD1 ILE 24 -10.044 0.936 -5.538 183 HD12 ILE 24 1HD1 ILE 24 -11.481 0.981 -4.515 184 HD13 ILE 24 2HD1 ILE 24 -9.891 0.739 -3.793 185 HA PRO 25 HA PRO 25 -12.939 6.425 -1.693 186 HB2 PRO 25 2HB PRO 25 -15.346 5.172 -1.544 187 HB3 PRO 25 3HB PRO 25 -15.090 6.637 -2.501 188 HG2 PRO 25 2HG PRO 25 -15.127 3.773 -3.407 189 HG3 PRO 25 3HG PRO 25 -15.921 5.184 -4.137 190 HD2 PRO 25 2HD PRO 25 -13.595 4.201 -5.089 191 HD3 PRO 25 3HD PRO 25 -13.957 5.940 -5.112 192 H ARG 26 H ARG 26 -13.366 5.469 0.409 193 HA ARG 26 HA ARG 26 -11.770 3.249 1.008 194 HB2 ARG 26 2HB ARG 26 -12.272 4.954 2.656 195 HB3 ARG 26 3HB ARG 26 -13.983 4.550 2.610 196 HG2 ARG 26 2HG ARG 26 -13.459 2.325 3.536 197 HG3 ARG 26 3HG ARG 26 -11.756 2.787 3.630 198 HD2 ARG 26 2HD ARG 26 -12.200 4.447 5.261 199 HD3 ARG 26 3HD ARG 26 -13.939 4.370 4.982 200 HE ARG 26 HE ARG 26 -12.330 2.356 6.403 201 HH11 ARG 26 1HH1 ARG 26 -15.385 3.702 5.576 202 HH12 ARG 26 2HH1 ARG 26 -16.237 2.786 6.766 203 HH21 ARG 26 1HH2 ARG 26 -13.436 1.183 7.936 204 HH22 ARG 26 2HH2 ARG 26 -15.150 1.360 8.074 205 H ILE 27 H ILE 27 -15.236 3.451 0.360 206 HA ILE 27 HA ILE 27 -16.094 0.966 1.269 207 HB ILE 27 HB ILE 27 -17.036 2.447 -1.201 208 HG12 ILE 27 2HG1 ILE 27 -18.094 2.521 1.643 209 HG13 ILE 27 3HG1 ILE 27 -17.140 3.791 0.883 210 HG21 ILE 27 1HG2 ILE 27 -18.399 0.279 0.405 211 HG22 ILE 27 2HG2 ILE 27 -17.796 0.143 -1.246 212 HG23 ILE 27 3HG2 ILE 27 -19.153 1.212 -0.889 213 HD11 ILE 27 3HD1 ILE 27 -19.517 4.328 0.920 214 HD12 ILE 27 1HD1 ILE 27 -19.864 2.874 -0.016 215 HD13 ILE 27 2HD1 ILE 27 -18.915 4.178 -0.730 216 H GLU 28 H GLU 28 -15.189 1.725 -2.118 217 HA GLU 28 HA GLU 28 -15.158 -0.937 -3.016 218 HB2 GLU 28 2HB GLU 28 -13.738 1.524 -4.050 219 HB3 GLU 28 3HB GLU 28 -13.737 -0.018 -4.898 220 HG2 GLU 28 2HG GLU 28 -16.247 1.482 -4.169 221 HG3 GLU 28 3HG GLU 28 -15.410 1.657 -5.713 222 H ALA 29 H ALA 29 -12.703 1.031 -1.489 223 HA ALA 29 HA ALA 29 -10.428 -0.495 -2.107 224 HB1 ALA 29 3HB ALA 29 -10.349 1.798 -1.225 225 HB2 ALA 29 1HB ALA 29 -9.341 0.693 -0.290 226 HB3 ALA 29 2HB ALA 29 -10.907 1.206 0.340 227 H GLN 30 H GLN 30 -12.746 -0.752 0.566 228 HA GLN 30 HA GLN 30 -11.231 -2.924 1.783 229 HB2 GLN 30 2HB GLN 30 -12.899 -2.899 3.542 230 HB3 GLN 30 3HB GLN 30 -12.341 -1.260 3.222 231 HG2 GLN 30 2HG GLN 30 -14.345 -0.716 2.058 232 HG3 GLN 30 3HG GLN 30 -14.876 -2.395 2.060 233 HE21 GLN 30 1HE2 GLN 30 -16.758 -2.083 3.144 234 HE22 GLN 30 2HE2 GLN 30 -16.844 -1.565 4.791 235 H GLU 31 H GLU 31 -14.143 -2.522 -0.157 236 HA GLU 31 HA GLU 31 -15.299 -5.049 0.337 237 HB2 GLU 31 2HB GLU 31 -15.579 -3.196 -2.035 238 HB3 GLU 31 3HB GLU 31 -16.562 -4.631 -1.793 239 HG2 GLU 31 2HG GLU 31 -16.442 -2.249 0.047 240 HG3 GLU 31 3HG GLU 31 -17.728 -2.598 -1.104 241 H LEU 32 H LEU 32 -12.969 -4.004 -2.146 242 HA LEU 32 HA LEU 32 -12.974 -6.495 -3.534 243 HB2 LEU 32 2HB LEU 32 -11.031 -5.674 -4.716 244 HB3 LEU 32 3HB LEU 32 -12.233 -4.413 -4.589 245 HG LEU 32 HG LEU 32 -10.800 -3.630 -2.527 246 HD11 LEU 32 1HD1 LEU 32 -8.430 -4.066 -2.778 247 HD12 LEU 32 2HD1 LEU 32 -8.741 -5.135 -4.140 248 HD13 LEU 32 3HD1 LEU 32 -9.303 -5.572 -2.526 249 HD21 LEU 32 3HD2 LEU 32 -9.515 -2.175 -4.003 250 HD22 LEU 32 1HD2 LEU 32 -11.175 -2.334 -4.573 251 HD23 LEU 32 2HD2 LEU 32 -9.877 -3.220 -5.376 252 H LEU 33 H LEU 33 -11.388 -5.364 -0.680 253 HA LEU 33 HA LEU 33 -9.389 -7.422 -0.528 254 HB2 LEU 33 2HB LEU 33 -10.569 -5.708 1.674 255 HB3 LEU 33 3HB LEU 33 -9.099 -6.651 1.787 256 HG LEU 33 HG LEU 33 -9.511 -4.264 -0.021 257 HD11 LEU 33 1HD1 LEU 33 -7.917 -4.533 2.529 258 HD12 LEU 33 2HD1 LEU 33 -9.408 -3.613 2.323 259 HD13 LEU 33 3HD1 LEU 33 -7.943 -3.120 1.473 260 HD21 LEU 33 3HD2 LEU 33 -7.112 -4.414 -0.446 261 HD22 LEU 33 1HD2 LEU 33 -7.947 -5.874 -0.976 262 HD23 LEU 33 2HD2 LEU 33 -7.024 -5.883 0.527 263 H LYS 34 H LYS 34 -10.100 -9.518 -0.473 264 HA LYS 34 HA LYS 34 -12.219 -10.202 1.457 265 HB2 LYS 34 2HB LYS 34 -13.280 -11.656 -0.285 266 HB3 LYS 34 3HB LYS 34 -13.395 -9.928 -0.598 267 HG2 LYS 34 2HG LYS 34 -11.355 -10.207 -2.094 268 HG3 LYS 34 3HG LYS 34 -11.620 -11.947 -1.950 269 HD2 LYS 34 2HD LYS 34 -13.591 -9.921 -3.032 270 HD3 LYS 34 3HD LYS 34 -12.651 -11.072 -3.985 271 HE2 LYS 34 2HE LYS 34 -13.790 -12.931 -2.871 272 HE3 LYS 34 3HE LYS 34 -14.720 -11.786 -1.903 273 HZ1 LYS 34 3HZ LYS 34 -15.729 -10.942 -3.916 274 HZ2 LYS 34 1HZ LYS 34 -15.974 -12.612 -3.806 275 HZ3 LYS 34 2HZ LYS 34 -14.808 -11.995 -4.862 276 H LYS 35 H LYS 35 -9.146 -10.890 0.456 277 HA LYS 35 HA LYS 35 -9.199 -13.351 2.019 278 HB2 LYS 35 2HB LYS 35 -7.825 -14.600 0.402 279 HB3 LYS 35 3HB LYS 35 -9.403 -14.194 -0.260 280 HG2 LYS 35 2HG LYS 35 -8.429 -12.369 -1.535 281 HG3 LYS 35 3HG LYS 35 -6.844 -12.702 -0.834 282 HD2 LYS 35 2HD LYS 35 -6.858 -14.927 -1.883 283 HD3 LYS 35 3HD LYS 35 -8.439 -14.580 -2.591 284 HE2 LYS 35 2HE LYS 35 -6.592 -14.240 -4.192 285 HE3 LYS 35 3HE LYS 35 -7.497 -12.758 -3.885 286 HZ1 LYS 35 3HZ LYS 35 -5.769 -12.031 -2.390 287 HZ2 LYS 35 1HZ LYS 35 -5.098 -12.395 -3.898 288 HZ3 LYS 35 2HZ LYS 35 -4.913 -13.476 -2.611 289 H GLN 36 H GLN 36 -7.080 -13.994 2.797 290 HA GLN 36 HA GLN 36 -5.638 -11.907 3.921 291 HB2 GLN 36 2HB GLN 36 -5.642 -14.239 4.748 292 HB3 GLN 36 3HB GLN 36 -4.661 -14.720 3.371 293 HG2 GLN 36 2HG GLN 36 -3.162 -14.521 5.160 294 HG3 GLN 36 3HG GLN 36 -2.927 -13.061 4.202 295 HE21 GLN 36 1HE2 GLN 36 -4.154 -14.366 7.172 296 HE22 GLN 36 2HE2 GLN 36 -4.282 -12.864 8.012 297 H GLY 37 H GLY 37 -4.359 -10.417 2.967 298 HA2 GLY 37 2HA GLY 37 -2.077 -10.159 2.077 299 HA3 GLY 37 3HA GLY 37 -2.488 -11.355 0.865 300 H ASP 38 H ASP 38 -5.193 -10.027 0.475 301 HA ASP 38 HA ASP 38 -4.643 -8.583 -1.815 302 HB2 ASP 38 2HB ASP 38 -7.003 -8.234 0.054 303 HB3 ASP 38 3HB ASP 38 -6.925 -7.605 -1.587 304 H PHE 39 H PHE 39 -3.852 -6.555 -2.240 305 HA PHE 39 HA PHE 39 -4.360 -4.402 -0.349 306 HB2 PHE 39 2HB PHE 39 -2.061 -3.738 -0.068 307 HB3 PHE 39 3HB PHE 39 -2.220 -5.418 0.419 308 HD1 PHE 39 HD1 PHE 39 -1.288 -7.216 -1.006 309 HD2 PHE 39 HD2 PHE 39 -0.678 -3.096 -1.913 310 HE1 PHE 39 HE1 PHE 39 0.564 -7.821 -2.506 311 HE2 PHE 39 HE2 PHE 39 1.172 -3.701 -3.417 312 HZ PHE 39 HZ PHE 39 1.794 -6.064 -3.714 313 H LEU 40 H LEU 40 -4.028 -2.304 -1.164 314 HA LEU 40 HA LEU 40 -3.041 -1.879 -3.842 315 HB2 LEU 40 2HB LEU 40 -5.020 -0.969 -4.816 316 HB3 LEU 40 3HB LEU 40 -5.425 -2.566 -4.215 317 HG LEU 40 HG LEU 40 -6.023 -0.073 -2.623 318 HD11 LEU 40 1HD1 LEU 40 -7.099 0.164 -4.800 319 HD12 LEU 40 2HD1 LEU 40 -8.279 -0.113 -3.519 320 HD13 LEU 40 3HD1 LEU 40 -7.837 -1.427 -4.612 321 HD21 LEU 40 3HD2 LEU 40 -7.074 -2.895 -2.560 322 HD22 LEU 40 1HD2 LEU 40 -7.786 -1.558 -1.656 323 HD23 LEU 40 2HD2 LEU 40 -6.133 -2.071 -1.320 324 H VAL 41 H VAL 41 -3.085 0.482 -4.413 325 HA VAL 41 HA VAL 41 -3.037 2.176 -1.986 326 HB VAL 41 HB VAL 41 -1.370 2.432 -4.504 327 HG11 VAL 41 1HG1 VAL 41 -1.996 4.650 -3.711 328 HG12 VAL 41 2HG1 VAL 41 -0.291 4.348 -3.382 329 HG13 VAL 41 3HG1 VAL 41 -1.473 4.238 -2.076 330 HG21 VAL 41 3HG2 VAL 41 0.522 2.039 -2.991 331 HG22 VAL 41 1HG2 VAL 41 -0.613 0.689 -2.956 332 HG23 VAL 41 2HG2 VAL 41 -0.593 1.859 -1.635 333 H ARG 42 H ARG 42 -4.416 3.811 -1.890 334 HA ARG 42 HA ARG 42 -5.588 4.876 -4.386 335 HB2 ARG 42 2HB ARG 42 -7.671 5.325 -3.007 336 HB3 ARG 42 3HB ARG 42 -7.343 3.635 -3.371 337 HG2 ARG 42 2HG ARG 42 -6.447 3.300 -1.135 338 HG3 ARG 42 3HG ARG 42 -6.683 5.008 -0.767 339 HD2 ARG 42 2HD ARG 42 -9.023 3.395 -1.674 340 HD3 ARG 42 3HD ARG 42 -8.450 3.192 -0.023 341 HE ARG 42 HE ARG 42 -9.730 5.538 -1.162 342 HH11 ARG 42 1HH1 ARG 42 -8.020 4.181 1.496 343 HH12 ARG 42 2HH1 ARG 42 -8.571 5.374 2.613 344 HH21 ARG 42 1HH2 ARG 42 -10.438 7.081 0.289 345 HH22 ARG 42 2HH2 ARG 42 -9.928 6.991 1.938 346 H GLU 43 H GLU 43 -5.399 7.016 -4.658 347 HA GLU 43 HA GLU 43 -4.117 8.646 -2.653 348 HB2 GLU 43 2HB GLU 43 -3.611 8.915 -5.054 349 HB3 GLU 43 3HB GLU 43 -5.274 9.396 -5.352 350 HG2 GLU 43 2HG GLU 43 -4.911 11.343 -3.823 351 HG3 GLU 43 3HG GLU 43 -3.205 10.893 -3.752 352 H SER 44 H SER 44 -5.015 10.469 -1.597 353 HA SER 44 HA SER 44 -7.825 10.242 -0.974 354 HB2 SER 44 2HB SER 44 -6.271 10.820 0.814 355 HB3 SER 44 3HB SER 44 -5.756 12.264 -0.060 356 HG SER 44 HG SER 44 -7.445 12.469 1.670 357 H HIS 45 H HIS 45 -9.474 11.652 -1.471 358 HA HIS 45 HA HIS 45 -8.993 13.511 -3.673 359 HB2 HIS 45 2HB HIS 45 -11.566 12.605 -2.359 360 HB3 HIS 45 3HB HIS 45 -11.476 13.693 -3.739 361 HD1 HIS 45 HD1 HIS 45 -10.493 12.629 -5.978 362 HD2 HIS 45 HD2 HIS 45 -11.451 9.916 -2.986 363 HE1 HIS 45 HE1 HIS 45 -10.595 10.400 -7.109 364 HE2 HIS 45 HE2 HIS 45 -11.370 8.810 -5.329 365 H GLY 46 H GLY 46 -9.877 13.529 -0.268 366 HA2 GLY 46 2HA GLY 46 -10.395 16.323 -0.046 367 HA3 GLY 46 3HA GLY 46 -9.958 15.243 1.270 368 H LYS 47 H LYS 47 -7.460 14.395 0.051 369 HA LYS 47 HA LYS 47 -5.901 16.900 -0.008 370 HB2 LYS 47 2HB LYS 47 -5.680 15.817 2.205 371 HB3 LYS 47 3HB LYS 47 -5.101 14.352 1.424 372 HG2 LYS 47 2HG LYS 47 -3.136 15.530 0.607 373 HG3 LYS 47 3HG LYS 47 -3.724 17.038 1.314 374 HD2 LYS 47 2HD LYS 47 -3.572 16.068 3.548 375 HD3 LYS 47 3HD LYS 47 -3.053 14.527 2.863 376 HE2 LYS 47 2HE LYS 47 -1.031 15.611 1.978 377 HE3 LYS 47 3HE LYS 47 -1.556 17.146 2.672 378 HZ1 LYS 47 3HZ LYS 47 -1.456 16.139 4.866 379 HZ2 LYS 47 1HZ LYS 47 0.047 16.054 4.096 380 HZ3 LYS 47 2HZ LYS 47 -0.931 14.677 4.197 381 HA PRO 48 HA PRO 48 -4.934 14.549 -3.873 382 HB2 PRO 48 2HB PRO 48 -4.146 16.808 -5.234 383 HB3 PRO 48 3HB PRO 48 -5.813 16.222 -5.171 384 HG2 PRO 48 2HG PRO 48 -4.497 18.374 -3.546 385 HG3 PRO 48 3HG PRO 48 -6.104 18.365 -4.300 386 HD2 PRO 48 2HD PRO 48 -5.783 17.899 -1.671 387 HD3 PRO 48 3HD PRO 48 -7.024 17.049 -2.616 388 H GLY 49 H GLY 49 -3.005 13.540 -3.977 389 HA2 GLY 49 2HA GLY 49 -0.619 13.719 -4.431 390 HA3 GLY 49 3HA GLY 49 -0.561 15.083 -3.329 391 H GLU 50 H GLU 50 -2.455 13.368 -1.537 392 HA GLU 50 HA GLU 50 -0.292 11.825 -0.269 393 HB2 GLU 50 2HB GLU 50 -1.408 13.476 1.157 394 HB3 GLU 50 3HB GLU 50 -2.963 12.716 0.850 395 HG2 GLU 50 2HG GLU 50 -2.280 10.720 2.014 396 HG3 GLU 50 3HG GLU 50 -0.643 11.342 2.201 397 H TYR 51 H TYR 51 -0.307 9.668 -0.245 398 HA TYR 51 HA TYR 51 -2.617 8.293 -1.449 399 HB2 TYR 51 2HB TYR 51 0.304 7.500 -1.368 400 HB3 TYR 51 3HB TYR 51 -0.981 6.524 -2.073 401 HD1 TYR 51 HD2 TYR 51 0.571 9.914 -2.335 402 HD2 TYR 51 HD1 TYR 51 -1.499 6.781 -4.340 403 HE1 TYR 51 HE2 TYR 51 0.848 11.102 -4.464 404 HE2 TYR 51 HE1 TYR 51 -1.219 7.964 -6.479 405 HH TYR 51 HH TYR 51 -0.859 10.435 -7.194 406 H VAL 52 H VAL 52 -3.576 6.603 -0.474 407 HA VAL 52 HA VAL 52 -2.619 5.827 2.209 408 HB VAL 52 HB VAL 52 -5.470 5.739 1.189 409 HG11 VAL 52 1HG1 VAL 52 -4.315 5.321 3.953 410 HG12 VAL 52 2HG1 VAL 52 -5.042 4.090 2.919 411 HG13 VAL 52 3HG1 VAL 52 -6.036 5.393 3.570 412 HG21 VAL 52 3HG2 VAL 52 -5.882 7.673 2.651 413 HG22 VAL 52 1HG2 VAL 52 -4.731 8.054 1.371 414 HG23 VAL 52 2HG2 VAL 52 -4.157 7.762 3.013 415 H LEU 53 H LEU 53 -2.078 3.754 2.493 416 HA LEU 53 HA LEU 53 -2.546 1.797 0.393 417 HB2 LEU 53 2HB LEU 53 -0.338 1.930 1.445 418 HB3 LEU 53 3HB LEU 53 -1.048 1.619 3.017 419 HG LEU 53 HG LEU 53 -1.748 -0.643 2.197 420 HD11 LEU 53 1HD1 LEU 53 -0.028 0.048 -0.185 421 HD12 LEU 53 2HD1 LEU 53 -1.774 -0.192 -0.195 422 HD13 LEU 53 3HD1 LEU 53 -0.704 -1.541 0.177 423 HD21 LEU 53 3HD2 LEU 53 0.492 -1.634 2.333 424 HD22 LEU 53 1HD2 LEU 53 0.255 -0.378 3.548 425 HD23 LEU 53 2HD2 LEU 53 1.210 -0.040 2.104 426 H SER 54 H SER 54 -4.125 0.309 0.431 427 HA SER 54 HA SER 54 -5.546 -0.204 2.979 428 HB2 SER 54 2HB SER 54 -6.903 0.982 1.222 429 HB3 SER 54 3HB SER 54 -6.702 -0.428 0.184 430 HG SER 54 HG SER 54 -8.249 -1.360 1.237 431 H VAL 55 H VAL 55 -5.185 -2.200 3.746 432 HA VAL 55 HA VAL 55 -4.630 -4.380 1.841 433 HB VAL 55 HB VAL 55 -2.476 -3.528 2.625 434 HG11 VAL 55 1HG1 VAL 55 -1.811 -3.687 4.978 435 HG12 VAL 55 2HG1 VAL 55 -3.443 -4.199 5.408 436 HG13 VAL 55 3HG1 VAL 55 -3.168 -2.580 4.764 437 HG21 VAL 55 3HG2 VAL 55 -1.509 -5.623 3.413 438 HG22 VAL 55 1HG2 VAL 55 -2.705 -5.933 2.155 439 HG23 VAL 55 2HG2 VAL 55 -3.109 -6.224 3.848 440 H TYR 56 H TYR 56 -5.235 -6.412 2.449 441 HA TYR 56 HA TYR 56 -7.132 -6.624 4.651 442 HB2 TYR 56 2HB TYR 56 -7.654 -7.461 2.337 443 HB3 TYR 56 3HB TYR 56 -6.406 -8.680 2.547 444 HD1 TYR 56 HD2 TYR 56 -6.709 -10.475 4.256 445 HD2 TYR 56 HD1 TYR 56 -9.821 -7.725 3.326 446 HE1 TYR 56 HE2 TYR 56 -8.343 -11.976 5.299 447 HE2 TYR 56 HE1 TYR 56 -11.465 -9.216 4.377 448 HH TYR 56 HH TYR 56 -11.675 -11.657 4.911 449 H SER 57 H SER 57 -6.393 -7.253 6.592 450 HA SER 57 HA SER 57 -4.272 -9.303 6.718 451 HB2 SER 57 2HB SER 57 -3.201 -7.204 7.247 452 HB3 SER 57 3HB SER 57 -4.478 -6.785 8.388 453 HG SER 57 HG SER 57 -2.246 -8.152 8.850 454 H ASP 58 H ASP 58 -5.151 -11.060 7.549 455 HA ASP 58 HA ASP 58 -6.214 -12.499 8.953 456 HB2 ASP 58 2HB ASP 58 -4.482 -11.453 10.439 457 HB3 ASP 58 3HB ASP 58 -5.725 -10.356 11.034 458 H GLY 59 H GLY 59 -8.093 -11.193 7.491 459 HA2 GLY 59 2HA GLY 59 -10.417 -11.247 7.512 460 HA3 GLY 59 3HA GLY 59 -10.376 -11.437 9.253 461 H GLN 60 H GLN 60 -8.484 -8.805 8.676 462 HA GLN 60 HA GLN 60 -10.774 -6.934 8.816 463 HB2 GLN 60 2HB GLN 60 -8.129 -6.663 10.272 464 HB3 GLN 60 3HB GLN 60 -9.498 -5.564 10.383 465 HG2 GLN 60 2HG GLN 60 -10.843 -7.398 11.362 466 HG3 GLN 60 3HG GLN 60 -9.412 -8.428 11.327 467 HE21 GLN 60 1HE2 GLN 60 -10.996 -7.566 13.593 468 HE22 GLN 60 2HE2 GLN 60 -9.919 -6.742 14.658 469 H ARG 61 H ARG 61 -10.680 -5.092 7.579 470 HA ARG 61 HA ARG 61 -8.495 -4.832 5.672 471 HB2 ARG 61 2HB ARG 61 -11.096 -3.330 6.018 472 HB3 ARG 61 3HB ARG 61 -9.883 -2.861 4.837 473 HG2 ARG 61 2HG ARG 61 -11.468 -4.129 3.659 474 HG3 ARG 61 3HG ARG 61 -10.083 -5.194 3.883 475 HD2 ARG 61 2HD ARG 61 -11.219 -6.301 5.738 476 HD3 ARG 61 3HD ARG 61 -12.591 -5.204 5.567 477 HE ARG 61 HE ARG 61 -12.134 -6.512 3.115 478 HH11 ARG 61 1HH1 ARG 61 -13.316 -7.144 6.289 479 HH12 ARG 61 2HH1 ARG 61 -14.288 -8.480 5.773 480 HH21 ARG 61 1HH2 ARG 61 -13.368 -8.215 2.470 481 HH22 ARG 61 2HH2 ARG 61 -14.317 -9.084 3.630 482 H ARG 62 H ARG 62 -6.674 -3.940 6.469 483 HA ARG 62 HA ARG 62 -6.861 -1.725 8.384 484 HB2 ARG 62 2HB ARG 62 -4.409 -3.278 7.547 485 HB3 ARG 62 3HB ARG 62 -4.546 -2.158 8.901 486 HG2 ARG 62 2HG ARG 62 -6.374 -3.720 9.783 487 HG3 ARG 62 3HG ARG 62 -5.781 -4.881 8.596 488 HD2 ARG 62 2HD ARG 62 -4.706 -5.385 10.641 489 HD3 ARG 62 3HD ARG 62 -3.503 -4.599 9.624 490 HE ARG 62 HE ARG 62 -3.436 -2.840 11.100 491 HH11 ARG 62 1HH1 ARG 62 -6.143 -4.845 11.866 492 HH12 ARG 62 2HH1 ARG 62 -6.453 -4.039 13.361 493 HH21 ARG 62 1HH2 ARG 62 -3.842 -1.838 13.032 494 HH22 ARG 62 2HH2 ARG 62 -5.166 -2.360 14.015 495 H HIS 63 H HIS 63 -5.573 0.229 8.089 496 HA HIS 63 HA HIS 63 -4.953 0.821 5.263 497 HB2 HIS 63 2HB HIS 63 -6.525 2.713 7.029 498 HB3 HIS 63 3HB HIS 63 -6.199 2.873 5.306 499 HD1 HIS 63 HD1 HIS 63 -7.384 0.862 3.804 500 HD2 HIS 63 HD2 HIS 63 -8.920 1.583 7.595 501 HE1 HIS 63 HE1 HIS 63 -9.683 -0.139 3.801 502 HE2 HIS 63 HE2 HIS 63 -10.496 0.122 6.164 503 H PHE 64 H PHE 64 -3.042 1.794 5.001 504 HA PHE 64 HA PHE 64 -1.861 3.297 7.263 505 HB2 PHE 64 2HB PHE 64 -0.346 1.545 5.303 506 HB3 PHE 64 3HB PHE 64 0.340 2.424 6.666 507 HD1 PHE 64 HD2 PHE 64 -0.190 1.705 8.991 508 HD2 PHE 64 HD1 PHE 64 -1.389 -0.574 5.595 509 HE1 PHE 64 HE2 PHE 64 -0.572 -0.250 10.434 510 HE2 PHE 64 HE1 PHE 64 -1.775 -2.526 7.039 511 HZ PHE 64 HZ PHE 64 -1.363 -2.366 9.459 512 H ILE 65 H ILE 65 -1.602 5.394 6.731 513 HA ILE 65 HA ILE 65 -1.639 6.248 3.966 514 HB ILE 65 HB ILE 65 -1.262 7.903 6.478 515 HG12 ILE 65 2HG1 ILE 65 -3.761 7.320 4.855 516 HG13 ILE 65 3HG1 ILE 65 -3.417 6.714 6.470 517 HG21 ILE 65 1HG2 ILE 65 -0.439 9.052 4.496 518 HG22 ILE 65 2HG2 ILE 65 -1.932 9.802 5.061 519 HG23 ILE 65 3HG2 ILE 65 -1.958 8.737 3.656 520 HD11 ILE 65 3HD1 ILE 65 -3.459 9.014 7.324 521 HD12 ILE 65 1HD1 ILE 65 -4.982 8.545 6.568 522 HD13 ILE 65 2HD1 ILE 65 -3.857 9.594 5.706 523 H ILE 66 H ILE 66 0.030 7.243 2.819 524 HA ILE 66 HA ILE 66 2.727 6.561 3.698 525 HB ILE 66 HB ILE 66 1.795 7.725 1.060 526 HG12 ILE 66 2HG1 ILE 66 2.436 4.851 1.798 527 HG13 ILE 66 3HG1 ILE 66 0.827 5.495 1.496 528 HG21 ILE 66 1HG2 ILE 66 4.430 6.443 1.800 529 HG22 ILE 66 2HG2 ILE 66 4.156 8.166 1.544 530 HG23 ILE 66 3HG2 ILE 66 3.972 7.038 0.203 531 HD11 ILE 66 3HD1 ILE 66 3.062 5.311 -0.517 532 HD12 ILE 66 1HD1 ILE 66 1.450 5.963 -0.820 533 HD13 ILE 66 2HD1 ILE 66 1.652 4.257 -0.419 534 H GLN 67 H GLN 67 4.050 8.008 4.651 535 HA GLN 67 HA GLN 67 3.430 10.862 4.525 536 HB2 GLN 67 2HB GLN 67 5.339 9.260 6.230 537 HB3 GLN 67 3HB GLN 67 5.341 11.017 6.216 538 HG2 GLN 67 2HG GLN 67 4.066 10.296 8.090 539 HG3 GLN 67 3HG GLN 67 2.951 10.972 6.904 540 HE21 GLN 67 1HE2 GLN 67 1.175 9.858 7.660 541 HE22 GLN 67 2HE2 GLN 67 0.999 8.150 7.496 542 H TYR 68 H TYR 68 4.446 12.267 3.286 543 HA TYR 68 HA TYR 68 6.771 11.468 1.707 544 HB2 TYR 68 2HB TYR 68 4.906 12.531 0.555 545 HB3 TYR 68 3HB TYR 68 4.991 13.918 1.632 546 HD1 TYR 68 HD1 TYR 68 7.054 12.058 -0.878 547 HD2 TYR 68 HD2 TYR 68 6.193 15.800 0.968 548 HE1 TYR 68 HE1 TYR 68 8.557 13.183 -2.465 549 HE2 TYR 68 HE2 TYR 68 7.693 16.931 -0.615 550 HH TYR 68 HH TYR 68 9.594 16.406 -2.059 551 H VAL 69 H VAL 69 8.639 11.634 2.882 552 HA VAL 69 HA VAL 69 9.247 14.245 4.139 553 HB VAL 69 HB VAL 69 9.974 11.536 5.299 554 HG11 VAL 69 1HG1 VAL 69 10.814 12.829 7.223 555 HG12 VAL 69 2HG1 VAL 69 10.491 14.325 6.347 556 HG13 VAL 69 3HG1 VAL 69 11.700 13.193 5.740 557 HG21 VAL 69 3HG2 VAL 69 7.594 12.038 5.589 558 HG22 VAL 69 1HG2 VAL 69 8.002 13.597 6.305 559 HG23 VAL 69 2HG2 VAL 69 8.448 12.102 7.131 560 H ASP 70 H ASP 70 11.223 15.088 3.652 561 HA ASP 70 HA ASP 70 13.172 15.419 2.527 562 HB2 ASP 70 2HB ASP 70 13.634 12.562 3.411 563 HB3 ASP 70 3HB ASP 70 14.885 13.609 2.748 564 H ASN 71 H ASN 71 11.057 14.840 0.846 565 HA ASN 71 HA ASN 71 10.482 14.244 -1.257 566 HB2 ASN 71 2HB ASN 71 13.488 14.195 -1.594 567 HB3 ASN 71 3HB ASN 71 12.351 14.047 -2.934 568 HD21 ASN 71 1HD2 ASN 71 12.994 15.942 -3.907 569 HD22 ASN 71 2HD2 ASN 71 12.652 17.499 -3.240 570 H MET 72 H MET 72 11.141 12.088 0.824 571 HA MET 72 HA MET 72 10.999 9.832 -1.074 572 HB2 MET 72 2HB MET 72 12.350 9.874 1.636 573 HB3 MET 72 3HB MET 72 12.079 8.420 0.684 574 HG2 MET 72 2HG MET 72 13.458 9.369 -1.119 575 HG3 MET 72 3HG MET 72 13.772 10.781 -0.111 576 HE1 MET 72 3HE MET 72 17.204 8.859 -0.132 577 HE2 MET 72 1HE MET 72 16.389 10.381 -0.490 578 HE3 MET 72 2HE MET 72 16.044 8.948 -1.458 579 H TYR 73 H TYR 73 9.382 8.395 -0.789 580 HA TYR 73 HA TYR 73 7.287 9.057 1.111 581 HB2 TYR 73 2HB TYR 73 7.381 6.931 -1.047 582 HB3 TYR 73 3HB TYR 73 5.952 7.419 -0.141 583 HD1 TYR 73 HD2 TYR 73 4.894 9.606 -0.560 584 HD2 TYR 73 HD1 TYR 73 8.241 8.303 -2.854 585 HE1 TYR 73 HE2 TYR 73 4.421 11.343 -2.235 586 HE2 TYR 73 HE1 TYR 73 7.772 10.038 -4.533 587 HH TYR 73 HH TYR 73 5.661 12.617 -3.962 588 H ARG 74 H ARG 74 6.848 7.960 2.953 589 HA ARG 74 HA ARG 74 7.908 5.259 3.347 590 HB2 ARG 74 2HB ARG 74 9.064 5.789 5.383 591 HB3 ARG 74 3HB ARG 74 9.656 6.869 4.129 592 HG2 ARG 74 2HG ARG 74 8.218 8.664 5.000 593 HG3 ARG 74 3HG ARG 74 7.647 7.578 6.270 594 HD2 ARG 74 2HD ARG 74 10.031 7.334 7.012 595 HD3 ARG 74 3HD ARG 74 10.459 8.599 5.859 596 HE ARG 74 HE ARG 74 8.385 9.314 7.745 597 HH11 ARG 74 1HH1 ARG 74 11.745 9.365 7.016 598 HH12 ARG 74 2HH1 ARG 74 12.093 10.588 8.186 599 HH21 ARG 74 1HH2 ARG 74 8.833 10.870 9.253 600 HH22 ARG 74 2HH2 ARG 74 10.464 11.413 9.466 601 H PHE 75 H PHE 75 7.206 4.374 5.532 602 HA PHE 75 HA PHE 75 4.526 5.378 6.246 603 HB2 PHE 75 2HB PHE 75 5.735 2.620 6.525 604 HB3 PHE 75 3HB PHE 75 4.202 3.082 7.256 605 HD1 PHE 75 HD1 PHE 75 2.296 3.765 5.789 606 HD2 PHE 75 HD2 PHE 75 5.864 2.035 4.222 607 HE1 PHE 75 HE1 PHE 75 1.111 3.215 3.706 608 HE2 PHE 75 HE2 PHE 75 4.677 1.481 2.138 609 HZ PHE 75 HZ PHE 75 2.301 2.071 1.877 610 H GLU 76 H GLU 76 7.160 3.597 7.945 611 HA GLU 76 HA GLU 76 6.775 5.434 10.222 612 HB2 GLU 76 2HB GLU 76 7.884 2.625 10.151 613 HB3 GLU 76 3HB GLU 76 8.015 3.672 11.552 614 HG2 GLU 76 2HG GLU 76 5.478 3.862 11.465 615 HG3 GLU 76 3HG GLU 76 5.532 2.519 10.326 616 H GLY 77 H GLY 77 9.562 3.490 9.024 617 HA2 GLY 77 2HA GLY 77 11.262 5.824 9.692 618 HA3 GLY 77 3HA GLY 77 11.779 4.153 9.806 619 H THR 78 H THR 78 11.965 2.948 7.714 620 HA THR 78 HA THR 78 13.699 4.375 5.998 621 HB THR 78 HB THR 78 12.403 1.673 5.547 622 HG1 THR 78 HG1 THR 78 15.041 2.228 6.471 623 HG21 THR 78 3HG2 THR 78 14.278 1.254 4.009 624 HG22 THR 78 1HG2 THR 78 14.832 2.913 4.235 625 HG23 THR 78 2HG2 THR 78 13.281 2.600 3.456 626 H GLY 79 H GLY 79 13.329 5.579 4.242 627 HA2 GLY 79 2HA GLY 79 10.673 5.412 2.941 628 HA3 GLY 79 3HA GLY 79 11.632 6.878 3.052 629 H PHE 80 H PHE 80 10.540 5.796 0.665 630 HA PHE 80 HA PHE 80 13.023 5.257 -0.853 631 HB2 PHE 80 2HB PHE 80 10.229 4.203 -1.372 632 HB3 PHE 80 3HB PHE 80 11.554 4.066 -2.521 633 HD1 PHE 80 HD1 PHE 80 10.498 3.101 0.911 634 HD2 PHE 80 HD2 PHE 80 13.072 2.291 -2.384 635 HE1 PHE 80 HE1 PHE 80 11.196 1.000 1.981 636 HE2 PHE 80 HE2 PHE 80 13.773 0.187 -1.318 637 HZ PHE 80 HZ PHE 80 12.836 -0.462 0.865 638 H SER 81 H SER 81 13.328 6.425 -2.742 639 HA SER 81 HA SER 81 12.224 9.002 -2.866 640 HB2 SER 81 2HB SER 81 13.643 7.499 -5.085 641 HB3 SER 81 3HB SER 81 13.415 9.245 -5.000 642 HG SER 81 HG SER 81 15.238 9.237 -3.962 643 H ASN 82 H ASN 82 11.106 6.026 -4.264 644 HA ASN 82 HA ASN 82 8.935 7.495 -5.629 645 HB2 ASN 82 2HB ASN 82 10.323 5.008 -6.669 646 HB3 ASN 82 3HB ASN 82 8.969 5.832 -7.436 647 HD21 ASN 82 1HD2 ASN 82 12.358 6.000 -6.675 648 HD22 ASN 82 2HD2 ASN 82 12.742 7.249 -7.803 649 H ILE 83 H ILE 83 6.883 6.678 -5.389 650 HA ILE 83 HA ILE 83 6.265 4.962 -3.262 651 HB ILE 83 HB ILE 83 4.549 5.757 -5.626 652 HG12 ILE 83 2HG1 ILE 83 4.720 6.818 -2.789 653 HG13 ILE 83 3HG1 ILE 83 5.288 7.636 -4.240 654 HG21 ILE 83 1HG2 ILE 83 3.713 4.422 -3.045 655 HG22 ILE 83 2HG2 ILE 83 3.658 3.713 -4.660 656 HG23 ILE 83 3HG2 ILE 83 2.616 5.078 -4.261 657 HD11 ILE 83 3HD1 ILE 83 2.989 7.774 -5.056 658 HD12 ILE 83 1HD1 ILE 83 3.187 8.560 -3.489 659 HD13 ILE 83 2HD1 ILE 83 2.425 6.972 -3.589 660 HA PRO 84 HA PRO 84 5.559 1.450 -6.726 661 HB2 PRO 84 2HB PRO 84 7.635 1.726 -8.610 662 HB3 PRO 84 3HB PRO 84 5.918 2.023 -8.898 663 HG2 PRO 84 2HG PRO 84 8.099 3.965 -8.260 664 HG3 PRO 84 3HG PRO 84 6.706 4.151 -9.344 665 HD2 PRO 84 2HD PRO 84 6.742 5.314 -6.937 666 HD3 PRO 84 3HD PRO 84 5.244 4.610 -7.583 667 H GLN 85 H GLN 85 8.788 2.877 -6.110 668 HA GLN 85 HA GLN 85 10.111 0.397 -5.688 669 HB2 GLN 85 2HB GLN 85 10.764 3.260 -5.084 670 HB3 GLN 85 3HB GLN 85 11.751 1.989 -4.371 671 HG2 GLN 85 2HG GLN 85 11.238 2.269 -7.329 672 HG3 GLN 85 3HG GLN 85 12.648 2.922 -6.497 673 HE21 GLN 85 1HE2 GLN 85 11.063 0.023 -7.590 674 HE22 GLN 85 2HE2 GLN 85 12.401 -1.038 -7.339 675 H LEU 86 H LEU 86 8.521 2.660 -3.479 676 HA LEU 86 HA LEU 86 9.175 1.512 -1.031 677 HB2 LEU 86 2HB LEU 86 7.996 3.629 -1.251 678 HB3 LEU 86 3HB LEU 86 6.605 2.817 -1.938 679 HG LEU 86 HG LEU 86 6.196 1.691 0.226 680 HD11 LEU 86 1HD1 LEU 86 8.464 1.610 1.093 681 HD12 LEU 86 2HD1 LEU 86 7.408 2.445 2.233 682 HD13 LEU 86 3HD1 LEU 86 8.508 3.370 1.210 683 HD21 LEU 86 3HD2 LEU 86 5.064 3.798 -0.276 684 HD22 LEU 86 1HD2 LEU 86 6.418 4.702 0.406 685 HD23 LEU 86 2HD2 LEU 86 5.426 3.678 1.445 686 H ILE 87 H ILE 87 6.258 0.855 -2.984 687 HA ILE 87 HA ILE 87 5.379 -1.323 -1.391 688 HB ILE 87 HB ILE 87 4.674 -0.627 -4.251 689 HG12 ILE 87 2HG1 ILE 87 4.154 1.186 -2.680 690 HG13 ILE 87 3HG1 ILE 87 2.675 0.435 -3.266 691 HG21 ILE 87 1HG2 ILE 87 4.102 -2.942 -3.787 692 HG22 ILE 87 2HG2 ILE 87 2.635 -1.968 -3.877 693 HG23 ILE 87 3HG2 ILE 87 3.268 -2.469 -2.307 694 HD11 ILE 87 3HD1 ILE 87 3.967 -0.017 -0.584 695 HD12 ILE 87 1HD1 ILE 87 2.515 -0.832 -1.169 696 HD13 ILE 87 2HD1 ILE 87 2.504 0.912 -0.914 697 H ASP 88 H ASP 88 7.010 -1.260 -4.577 698 HA ASP 88 HA ASP 88 7.063 -4.009 -5.034 699 HB2 ASP 88 2HB ASP 88 7.564 -2.382 -6.783 700 HB3 ASP 88 3HB ASP 88 9.038 -1.904 -5.950 701 H HIS 89 H HIS 89 9.586 -1.987 -3.484 702 HA HIS 89 HA HIS 89 11.432 -4.076 -3.128 703 HB2 HIS 89 2HB HIS 89 11.919 -1.607 -2.903 704 HB3 HIS 89 3HB HIS 89 11.179 -1.675 -1.308 705 HD1 HIS 89 HD1 HIS 89 12.603 -2.555 0.596 706 HD2 HIS 89 HD2 HIS 89 14.363 -3.111 -3.125 707 HE1 HIS 89 HE1 HIS 89 14.948 -3.297 1.068 708 HE2 HIS 89 HE2 HIS 89 15.899 -3.865 -1.188 709 H HIS 90 H HIS 90 8.881 -2.858 -0.918 710 HA HIS 90 HA HIS 90 9.458 -4.717 1.157 711 HB2 HIS 90 2HB HIS 90 7.020 -3.088 0.481 712 HB3 HIS 90 3HB HIS 90 6.980 -4.266 1.789 713 HD1 HIS 90 HD1 HIS 90 8.062 -0.849 0.998 714 HD2 HIS 90 HD2 HIS 90 8.839 -3.689 3.926 715 HE1 HIS 90 HE1 HIS 90 9.164 0.403 2.870 716 HE2 HIS 90 HE2 HIS 90 9.814 -1.372 4.527 717 H TYR 91 H TYR 91 7.362 -4.906 -1.677 718 HA TYR 91 HA TYR 91 6.071 -7.341 -1.068 719 HB2 TYR 91 2HB TYR 91 5.310 -5.751 -2.807 720 HB3 TYR 91 3HB TYR 91 6.719 -6.152 -3.782 721 HD1 TYR 91 HD2 TYR 91 6.863 -8.343 -4.912 722 HD2 TYR 91 HD1 TYR 91 3.412 -7.245 -2.668 723 HE1 TYR 91 HE2 TYR 91 5.593 -10.153 -5.985 724 HE2 TYR 91 HE1 TYR 91 2.140 -9.057 -3.734 725 HH TYR 91 HH TYR 91 3.422 -11.579 -5.233 726 H THR 92 H THR 92 8.927 -6.700 -3.108 727 HA THR 92 HA THR 92 9.499 -9.371 -3.786 728 HB THR 92 HB THR 92 11.794 -8.544 -4.334 729 HG1 THR 92 HG1 THR 92 11.270 -5.907 -3.998 730 HG21 THR 92 3HG2 THR 92 11.093 -6.960 -6.081 731 HG22 THR 92 1HG2 THR 92 9.527 -6.781 -5.291 732 HG23 THR 92 2HG2 THR 92 9.994 -8.335 -5.983 733 H THR 93 H THR 93 11.064 -7.303 -1.311 734 HA THR 93 HA THR 93 12.563 -9.359 -0.072 735 HB THR 93 HB THR 93 12.737 -7.876 1.889 736 HG1 THR 93 HG1 THR 93 10.684 -6.442 0.536 737 HG21 THR 93 3HG2 THR 93 13.767 -5.944 0.782 738 HG22 THR 93 1HG2 THR 93 12.964 -6.373 -0.728 739 HG23 THR 93 2HG2 THR 93 14.187 -7.445 -0.043 740 H LYS 94 H LYS 94 9.212 -8.678 0.019 741 HA LYS 94 HA LYS 94 7.429 -9.637 1.028 742 HB2 LYS 94 2HB LYS 94 8.771 -11.715 0.354 743 HB3 LYS 94 3HB LYS 94 9.284 -11.802 2.032 744 HG2 LYS 94 2HG LYS 94 7.424 -13.298 1.645 745 HG3 LYS 94 3HG LYS 94 6.933 -11.996 2.732 746 HD2 LYS 94 2HD LYS 94 5.891 -10.820 0.829 747 HD3 LYS 94 3HD LYS 94 6.360 -12.145 -0.237 748 HE2 LYS 94 2HE LYS 94 4.508 -12.364 2.139 749 HE3 LYS 94 3HE LYS 94 4.012 -12.320 0.448 750 HZ1 LYS 94 3HZ LYS 94 5.703 -14.413 1.700 751 HZ2 LYS 94 1HZ LYS 94 5.233 -14.371 0.076 752 HZ3 LYS 94 2HZ LYS 94 4.072 -14.576 1.289 753 H GLN 95 H GLN 95 9.150 -7.747 2.503 754 HA GLN 95 HA GLN 95 8.860 -8.582 5.287 755 HB2 GLN 95 2HB GLN 95 10.121 -6.158 3.998 756 HB3 GLN 95 3HB GLN 95 9.932 -6.314 5.740 757 HG2 GLN 95 2HG GLN 95 11.465 -8.232 3.987 758 HG3 GLN 95 3HG GLN 95 12.179 -6.944 4.959 759 HE21 GLN 95 1HE2 GLN 95 12.243 -7.167 7.201 760 HE22 GLN 95 2HE2 GLN 95 11.952 -8.678 7.985 761 H VAL 96 H VAL 96 8.107 -6.723 6.801 762 HA VAL 96 HA VAL 96 5.331 -6.328 6.165 763 HB VAL 96 HB VAL 96 5.095 -5.507 8.439 764 HG11 VAL 96 1HG1 VAL 96 6.922 -7.911 8.299 765 HG12 VAL 96 2HG1 VAL 96 5.168 -7.922 8.115 766 HG13 VAL 96 3HG1 VAL 96 5.890 -7.482 9.663 767 HG21 VAL 96 3HG2 VAL 96 7.040 -5.317 9.944 768 HG22 VAL 96 1HG2 VAL 96 7.122 -4.162 8.613 769 HG23 VAL 96 2HG2 VAL 96 8.116 -5.621 8.580 770 H ILE 97 H ILE 97 4.183 -4.340 6.297 771 HA ILE 97 HA ILE 97 5.402 -2.105 5.026 772 HB ILE 97 HB ILE 97 2.720 -2.422 6.393 773 HG12 ILE 97 2HG1 ILE 97 3.034 -3.783 4.370 774 HG13 ILE 97 3HG1 ILE 97 1.852 -2.508 4.092 775 HG21 ILE 97 1HG2 ILE 97 3.736 -0.092 4.763 776 HG22 ILE 97 2HG2 ILE 97 3.284 -0.075 6.467 777 HG23 ILE 97 3HG2 ILE 97 2.055 -0.337 5.232 778 HD11 ILE 97 3HD1 ILE 97 3.286 -2.726 2.175 779 HD12 ILE 97 1HD1 ILE 97 4.722 -2.528 3.179 780 HD13 ILE 97 2HD1 ILE 97 3.602 -1.182 2.964 781 H THR 98 H THR 98 4.079 -2.502 8.317 782 HA THR 98 HA THR 98 6.120 -0.622 9.309 783 HB THR 98 HB THR 98 4.501 0.323 10.936 784 HG1 THR 98 HG1 THR 98 2.300 -0.089 10.712 785 HG21 THR 98 3HG2 THR 98 4.927 1.571 8.894 786 HG22 THR 98 1HG2 THR 98 3.236 1.745 9.373 787 HG23 THR 98 2HG2 THR 98 3.671 0.662 8.053 788 H LYS 99 H LYS 99 7.044 -1.173 11.263 789 HA LYS 99 HA LYS 99 6.749 -3.849 12.206 790 HB2 LYS 99 2HB LYS 99 8.223 -1.450 13.303 791 HB3 LYS 99 3HB LYS 99 8.229 -3.004 14.124 792 HG2 LYS 99 2HG LYS 99 9.012 -2.966 11.252 793 HG3 LYS 99 3HG LYS 99 10.137 -2.274 12.417 794 HD2 LYS 99 2HD LYS 99 10.720 -4.581 12.085 795 HD3 LYS 99 3HD LYS 99 10.043 -4.410 13.701 796 HE2 LYS 99 2HE LYS 99 7.868 -5.240 12.824 797 HE3 LYS 99 3HE LYS 99 8.640 -5.506 11.260 798 HZ1 LYS 99 3HZ LYS 99 10.190 -7.040 12.370 799 HZ2 LYS 99 1HZ LYS 99 8.582 -7.548 12.510 800 HZ3 LYS 99 2HZ LYS 99 9.355 -6.826 13.827 801 H LYS 100 H LYS 100 5.215 -0.870 12.979 802 HA LYS 100 HA LYS 100 4.160 -1.575 15.529 803 HB2 LYS 100 2HB LYS 100 4.322 0.744 14.731 804 HB3 LYS 100 3HB LYS 100 3.149 0.402 13.469 805 HG2 LYS 100 2HG LYS 100 1.415 0.040 15.119 806 HG3 LYS 100 3HG LYS 100 2.579 0.239 16.430 807 HD2 LYS 100 2HD LYS 100 2.073 2.414 14.405 808 HD3 LYS 100 3HD LYS 100 1.076 2.240 15.847 809 HE2 LYS 100 2HE LYS 100 2.826 3.886 16.217 810 HE3 LYS 100 3HE LYS 100 3.070 2.487 17.256 811 HZ1 LYS 100 3HZ LYS 100 4.506 2.916 14.693 812 HZ2 LYS 100 1HZ LYS 100 4.817 1.726 15.852 813 HZ3 LYS 100 2HZ LYS 100 5.119 3.348 16.208 814 H SER 101 H SER 101 3.296 -2.504 12.310 815 HA SER 101 HA SER 101 0.706 -3.579 13.260 816 HB2 SER 101 2HB SER 101 -0.037 -3.635 10.955 817 HB3 SER 101 3HB SER 101 0.579 -2.023 11.312 818 HG SER 101 HG SER 101 2.054 -2.287 9.843 819 H GLY 102 H GLY 102 3.227 -4.438 10.873 820 HA2 GLY 102 2HA GLY 102 4.383 -6.513 10.795 821 HA3 GLY 102 3HA GLY 102 3.147 -7.225 11.820 822 H VAL 103 H VAL 103 2.108 -5.296 9.137 823 HA VAL 103 HA VAL 103 0.880 -7.631 7.905 824 HB VAL 103 HB VAL 103 0.681 -4.715 7.104 825 HG11 VAL 103 1HG1 VAL 103 -1.361 -5.435 5.913 826 HG12 VAL 103 2HG1 VAL 103 -0.998 -7.110 6.331 827 HG13 VAL 103 3HG1 VAL 103 0.091 -6.207 5.279 828 HG21 VAL 103 3HG2 VAL 103 -1.192 -6.367 8.813 829 HG22 VAL 103 1HG2 VAL 103 -1.456 -4.702 8.295 830 HG23 VAL 103 2HG2 VAL 103 -0.127 -5.085 9.391 831 H VAL 104 H VAL 104 1.559 -8.622 6.084 832 HA VAL 104 HA VAL 104 3.922 -7.526 4.684 833 HB VAL 104 HB VAL 104 2.927 -10.389 4.762 834 HG11 VAL 104 1HG1 VAL 104 5.513 -9.243 3.698 835 HG12 VAL 104 2HG1 VAL 104 4.190 -9.901 2.735 836 HG13 VAL 104 3HG1 VAL 104 5.114 -10.959 3.802 837 HG21 VAL 104 3HG2 VAL 104 4.841 -10.824 6.247 838 HG22 VAL 104 1HG2 VAL 104 3.694 -9.692 6.963 839 HG23 VAL 104 2HG2 VAL 104 5.204 -9.096 6.274 840 H LEU 105 H LEU 105 4.060 -7.740 2.356 841 HA LEU 105 HA LEU 105 1.450 -7.443 1.056 842 HB2 LEU 105 2HB LEU 105 4.228 -6.855 0.024 843 HB3 LEU 105 3HB LEU 105 2.735 -6.504 -0.825 844 HG LEU 105 HG LEU 105 3.661 -5.236 1.759 845 HD11 LEU 105 1HD1 LEU 105 4.869 -4.459 -0.225 846 HD12 LEU 105 2HD1 LEU 105 3.831 -3.196 0.437 847 HD13 LEU 105 3HD1 LEU 105 3.337 -4.075 -1.010 848 HD21 LEU 105 3HD2 LEU 105 1.680 -3.802 1.554 849 HD22 LEU 105 1HD2 LEU 105 1.236 -5.496 1.759 850 HD23 LEU 105 2HD2 LEU 105 1.141 -4.746 0.165 851 H LEU 106 H LEU 106 0.571 -9.175 0.100 852 HA LEU 106 HA LEU 106 2.214 -10.685 -1.788 853 HB2 LEU 106 2HB LEU 106 1.178 -12.841 -1.126 854 HB3 LEU 106 3HB LEU 106 2.248 -12.175 0.086 855 HG LEU 106 HG LEU 106 -0.750 -11.858 0.258 856 HD11 LEU 106 1HD1 LEU 106 -0.754 -13.779 1.787 857 HD12 LEU 106 2HD1 LEU 106 0.948 -14.068 1.426 858 HD13 LEU 106 3HD1 LEU 106 -0.265 -14.246 0.159 859 HD21 LEU 106 3HD2 LEU 106 1.452 -11.704 2.327 860 HD22 LEU 106 1HD2 LEU 106 -0.274 -11.512 2.644 861 HD23 LEU 106 2HD2 LEU 106 0.575 -10.338 1.639 862 H ASN 107 H ASN 107 0.908 -11.882 -3.381 863 HA ASN 107 HA ASN 107 -0.409 -11.418 -5.203 864 HB2 ASN 107 2HB ASN 107 -2.768 -12.253 -4.780 865 HB3 ASN 107 3HB ASN 107 -1.446 -13.342 -4.407 866 HD21 ASN 107 1HD2 ASN 107 -2.518 -10.692 -2.305 867 HD22 ASN 107 2HD2 ASN 107 -3.087 -11.730 -1.051 868 HA PRO 108 HA PRO 108 -1.793 -7.115 -4.418 869 HB2 PRO 108 2HB PRO 108 -0.930 -6.730 -7.209 870 HB3 PRO 108 3HB PRO 108 -0.399 -5.895 -5.747 871 HG2 PRO 108 2HG PRO 108 1.195 -7.628 -7.063 872 HG3 PRO 108 3HG PRO 108 1.252 -7.442 -5.300 873 HD2 PRO 108 2HD PRO 108 -0.076 -9.579 -6.939 874 HD3 PRO 108 3HD PRO 108 0.868 -9.732 -5.441 875 H ILE 109 H ILE 109 -3.583 -5.939 -5.224 876 HA ILE 109 HA ILE 109 -5.421 -7.461 -6.914 877 HB ILE 109 HB ILE 109 -5.869 -4.849 -5.445 878 HG12 ILE 109 2HG1 ILE 109 -5.420 -6.650 -3.875 879 HG13 ILE 109 3HG1 ILE 109 -7.135 -6.268 -3.834 880 HG21 ILE 109 1HG2 ILE 109 -7.831 -6.722 -6.788 881 HG22 ILE 109 2HG2 ILE 109 -7.389 -5.104 -7.334 882 HG23 ILE 109 3HG2 ILE 109 -8.264 -5.314 -5.817 883 HD11 ILE 109 3HD1 ILE 109 -6.786 -8.652 -3.744 884 HD12 ILE 109 1HD1 ILE 109 -5.862 -8.603 -5.244 885 HD13 ILE 109 2HD1 ILE 109 -7.585 -8.218 -5.254 886 HA PRO 110 HA PRO 110 -3.696 -4.900 -10.189 887 HB2 PRO 110 2HB PRO 110 -4.222 -6.514 -12.247 888 HB3 PRO 110 3HB PRO 110 -3.032 -6.961 -11.016 889 HG2 PRO 110 2HG PRO 110 -5.875 -7.871 -11.319 890 HG3 PRO 110 3HG PRO 110 -4.432 -8.822 -10.924 891 HD2 PRO 110 2HD PRO 110 -6.246 -7.875 -9.059 892 HD3 PRO 110 3HD PRO 110 -4.561 -8.308 -8.700 893 H LYS 111 H LYS 111 -4.477 -4.335 -12.525 894 HA LYS 111 HA LYS 111 -7.329 -4.054 -12.889 895 HB2 LYS 111 2HB LYS 111 -7.450 -1.684 -12.956 896 HB3 LYS 111 3HB LYS 111 -6.604 -2.063 -11.463 897 HG2 LYS 111 2HG LYS 111 -4.489 -1.441 -12.420 898 HG3 LYS 111 3HG LYS 111 -5.210 -1.268 -14.022 899 HD2 LYS 111 2HD LYS 111 -6.692 0.533 -13.020 900 HD3 LYS 111 3HD LYS 111 -5.666 0.458 -11.588 901 HE2 LYS 111 2HE LYS 111 -4.631 1.032 -14.367 902 HE3 LYS 111 3HE LYS 111 -5.096 2.280 -13.221 903 HZ1 LYS 111 3HZ LYS 111 -2.929 0.292 -12.853 904 HZ2 LYS 111 1HZ LYS 111 -3.412 1.417 -11.689 905 HZ3 LYS 111 2HZ LYS 111 -2.739 1.947 -13.146 906 H ASP 112 H ASP 112 -7.762 -2.905 -15.041 907 HA ASP 112 HA ASP 112 -6.286 -4.004 -17.150 908 HB2 ASP 112 2HB ASP 112 -8.114 -1.584 -17.140 909 HB3 ASP 112 3HB ASP 112 -7.564 -2.423 -18.585 910 H LYS 113 H LYS 113 -4.410 -3.411 -18.115 911 HA LYS 113 HA LYS 113 -2.994 -1.023 -17.332 912 HB2 LYS 113 2HB LYS 113 -2.382 -3.063 -19.493 913 HB3 LYS 113 3HB LYS 113 -1.289 -1.791 -18.971 914 HG2 LYS 113 2HG LYS 113 -2.325 -3.960 -17.155 915 HG3 LYS 113 3HG LYS 113 -0.799 -4.053 -18.036 916 HD2 LYS 113 2HD LYS 113 -0.031 -2.009 -16.876 917 HD3 LYS 113 3HD LYS 113 -1.547 -1.970 -15.972 918 HE2 LYS 113 2HE LYS 113 -1.022 -4.114 -14.950 919 HE3 LYS 113 3HE LYS 113 0.453 -4.235 -15.908 920 HZ1 LYS 113 3HZ LYS 113 1.409 -2.439 -14.736 921 HZ2 LYS 113 1HZ LYS 113 0.751 -3.462 -13.564 922 HZ3 LYS 113 2HZ LYS 113 -0.047 -2.028 -13.991 923 H LYS 114 H LYS 114 -4.942 0.314 -18.076 924 HA LYS 114 HA LYS 114 -4.687 1.075 -20.912 925 HB2 LYS 114 2HB LYS 114 -7.313 0.468 -19.527 926 HB3 LYS 114 3HB LYS 114 -7.135 1.080 -21.165 927 HG2 LYS 114 2HG LYS 114 -6.176 -0.966 -21.917 928 HG3 LYS 114 3HG LYS 114 -6.013 -1.568 -20.264 929 HD2 LYS 114 2HD LYS 114 -8.475 -1.540 -20.037 930 HD3 LYS 114 3HD LYS 114 -8.606 -1.013 -21.716 931 HE2 LYS 114 2HE LYS 114 -7.678 -3.077 -22.506 932 HE3 LYS 114 3HE LYS 114 -7.268 -3.581 -20.864 933 HZ1 LYS 114 3HZ LYS 114 -9.556 -3.807 -20.330 934 HZ2 LYS 114 1HZ LYS 114 -9.308 -4.618 -21.796 935 HZ3 LYS 114 2HZ LYS 114 -10.044 -3.093 -21.786 936 H TRP 115 H TRP 115 -6.570 2.902 -21.199 937 HA TRP 115 HA TRP 115 -6.109 4.942 -19.111 938 HB2 TRP 115 2HB TRP 115 -6.394 6.590 -21.011 939 HB3 TRP 115 3HB TRP 115 -4.962 5.572 -21.134 940 HD1 TRP 115 HD1 TRP 115 -8.253 6.319 -22.898 941 HE1 TRP 115 HE1 TRP 115 -8.306 5.073 -25.151 942 HE3 TRP 115 HE3 TRP 115 -4.089 3.401 -22.321 943 HZ2 TRP 115 HZ2 TRP 115 -6.787 3.119 -26.504 944 HZ3 TRP 115 HZ3 TRP 115 -3.459 1.869 -24.140 945 HH2 TRP 115 HH2 TRP 115 -4.783 1.731 -26.188 946 H ILE 116 H ILE 116 -8.295 2.977 -19.249 947 HA ILE 116 HA ILE 116 -10.649 4.196 -20.327 948 HB ILE 116 HB ILE 116 -10.498 1.930 -18.324 949 HG12 ILE 116 2HG1 ILE 116 -9.152 1.389 -20.290 950 HG13 ILE 116 3HG1 ILE 116 -10.623 0.427 -20.286 951 HG21 ILE 116 1HG2 ILE 116 -12.695 1.294 -19.244 952 HG22 ILE 116 2HG2 ILE 116 -12.677 2.739 -20.256 953 HG23 ILE 116 3HG2 ILE 116 -12.725 2.893 -18.500 954 HD11 ILE 116 3HD1 ILE 116 -11.601 1.921 -21.950 955 HD12 ILE 116 1HD1 ILE 116 -10.083 1.223 -22.511 956 HD13 ILE 116 2HD1 ILE 116 -10.128 2.892 -21.943 Start of MODEL 3 1 H1 MET 1 1H MET 1 19.942 -11.240 -25.113 2 H2 MET 1 2H MET 1 19.430 -10.198 -23.885 3 H3 MET 1 3H MET 1 18.554 -11.604 -24.214 4 HA MET 1 HA MET 1 21.320 -11.467 -23.148 5 HB2 MET 1 2HB MET 1 20.427 -12.196 -21.056 6 HB3 MET 1 3HB MET 1 19.453 -10.831 -21.580 7 HG2 MET 1 2HG MET 1 18.724 -13.748 -21.607 8 HG3 MET 1 3HG MET 1 17.956 -12.437 -20.712 9 HE1 MET 1 3HE MET 1 15.565 -13.183 -21.497 10 HE2 MET 1 1HE MET 1 16.267 -14.535 -22.383 11 HE3 MET 1 2HE MET 1 15.120 -13.461 -23.182 12 H GLY 2 H GLY 2 19.457 -13.135 -25.259 13 HA2 GLY 2 2HA GLY 2 20.892 -15.336 -25.723 14 HA3 GLY 2 3HA GLY 2 19.992 -15.838 -24.298 15 H HIS 3 H HIS 3 17.690 -16.036 -24.442 16 HA HIS 3 HA HIS 3 16.757 -16.954 -26.990 17 HB2 HIS 3 2HB HIS 3 16.078 -17.850 -24.696 18 HB3 HIS 3 3HB HIS 3 15.034 -16.440 -24.555 19 HD1 HIS 3 HD1 HIS 3 15.399 -19.687 -26.357 20 HD2 HIS 3 HD2 HIS 3 12.711 -16.522 -26.163 21 HE1 HIS 3 HE1 HIS 3 13.341 -20.481 -27.548 22 HE2 HIS 3 HE2 HIS 3 11.790 -18.507 -27.549 23 H HIS 4 H HIS 4 16.719 -13.919 -25.391 24 HA HIS 4 HA HIS 4 15.251 -12.771 -27.670 25 HB2 HIS 4 2HB HIS 4 14.873 -11.960 -24.770 26 HB3 HIS 4 3HB HIS 4 14.242 -11.067 -26.146 27 HD1 HIS 4 HD1 HIS 4 12.816 -12.851 -23.695 28 HD2 HIS 4 HD2 HIS 4 12.834 -13.470 -27.802 29 HE1 HIS 4 HE1 HIS 4 10.802 -14.268 -24.169 30 HE2 HIS 4 HE2 HIS 4 10.891 -14.715 -26.641 31 H HIS 5 H HIS 5 16.019 -10.760 -28.386 32 HA HIS 5 HA HIS 5 18.720 -10.119 -27.872 33 HB2 HIS 5 2HB HIS 5 17.622 -9.554 -29.987 34 HB3 HIS 5 3HB HIS 5 16.558 -8.425 -29.155 35 HD1 HIS 5 HD1 HIS 5 17.336 -6.067 -29.093 36 HD2 HIS 5 HD2 HIS 5 20.463 -8.713 -29.811 37 HE1 HIS 5 HE1 HIS 5 19.352 -4.629 -29.520 38 HE2 HIS 5 HE2 HIS 5 21.257 -6.249 -29.795 39 H HIS 6 H HIS 6 15.811 -9.168 -26.259 40 HA HIS 6 HA HIS 6 16.510 -6.785 -25.014 41 HB2 HIS 6 2HB HIS 6 14.926 -9.115 -23.904 42 HB3 HIS 6 3HB HIS 6 15.033 -7.543 -23.123 43 HD1 HIS 6 HD1 HIS 6 13.749 -5.579 -24.236 44 HD2 HIS 6 HD2 HIS 6 13.221 -9.244 -26.119 45 HE1 HIS 6 HE1 HIS 6 11.788 -5.268 -25.764 46 HE2 HIS 6 HE2 HIS 6 11.381 -7.541 -26.760 47 H HIS 7 H HIS 7 17.863 -6.211 -23.383 48 HA HIS 7 HA HIS 7 19.423 -8.358 -22.085 49 HB2 HIS 7 2HB HIS 7 20.688 -6.969 -23.750 50 HB3 HIS 7 3HB HIS 7 20.406 -5.565 -22.727 51 HD1 HIS 7 HD1 HIS 7 22.231 -5.091 -21.135 52 HD2 HIS 7 HD2 HIS 7 22.151 -9.097 -22.222 53 HE1 HIS 7 HE1 HIS 7 24.205 -6.134 -19.996 54 HE2 HIS 7 HE2 HIS 7 24.243 -8.505 -20.820 55 H HIS 8 H HIS 8 17.680 -5.354 -21.625 56 HA HIS 8 HA HIS 8 17.670 -5.836 -18.743 57 HB2 HIS 8 2HB HIS 8 18.246 -3.497 -18.202 58 HB3 HIS 8 3HB HIS 8 19.564 -4.325 -19.021 59 HD1 HIS 8 HD1 HIS 8 17.310 -1.418 -19.307 60 HD2 HIS 8 HD2 HIS 8 20.004 -3.464 -21.718 61 HE1 HIS 8 HE1 HIS 8 17.775 0.111 -21.240 62 HE2 HIS 8 HE2 HIS 8 19.330 -1.181 -22.734 63 H SER 9 H SER 9 15.981 -4.656 -17.602 64 HA SER 9 HA SER 9 13.769 -3.825 -19.392 65 HB2 SER 9 2HB SER 9 13.590 -5.384 -16.797 66 HB3 SER 9 3HB SER 9 12.207 -4.794 -17.714 67 HG SER 9 HG SER 9 12.617 -6.949 -18.229 68 H HIS 10 H HIS 10 12.364 -2.186 -18.671 69 HA HIS 10 HA HIS 10 13.433 -0.473 -16.523 70 HB2 HIS 10 2HB HIS 10 11.471 0.112 -18.755 71 HB3 HIS 10 3HB HIS 10 11.870 1.255 -17.477 72 HD1 HIS 10 HD1 HIS 10 13.983 2.592 -17.728 73 HD2 HIS 10 HD2 HIS 10 13.639 -0.413 -20.575 74 HE1 HIS 10 HE1 HIS 10 15.787 3.051 -19.399 75 HE2 HIS 10 HE2 HIS 10 15.413 1.360 -21.225 76 H MET 11 H MET 11 12.115 0.263 -14.825 77 HA MET 11 HA MET 11 9.931 -1.466 -14.079 78 HB2 MET 11 2HB MET 11 9.849 -0.159 -12.015 79 HB3 MET 11 3HB MET 11 11.501 -0.623 -12.390 80 HG2 MET 11 2HG MET 11 11.907 1.634 -13.294 81 HG3 MET 11 3HG MET 11 10.266 2.090 -12.838 82 HE1 MET 11 3HE MET 11 13.819 1.046 -11.580 83 HE2 MET 11 1HE MET 11 12.816 -0.203 -10.845 84 HE3 MET 11 2HE MET 11 13.604 1.006 -9.829 85 H LYS 12 H LYS 12 7.757 -0.847 -13.706 86 HA LYS 12 HA LYS 12 6.740 1.057 -15.625 87 HB2 LYS 12 2HB LYS 12 5.466 -0.892 -13.714 88 HB3 LYS 12 3HB LYS 12 4.491 0.302 -14.559 89 HG2 LYS 12 2HG LYS 12 6.276 -1.697 -15.947 90 HG3 LYS 12 3HG LYS 12 4.554 -1.944 -15.639 91 HD2 LYS 12 2HD LYS 12 4.072 0.130 -16.920 92 HD3 LYS 12 3HD LYS 12 5.790 0.259 -17.302 93 HE2 LYS 12 2HE LYS 12 5.708 -1.862 -18.491 94 HE3 LYS 12 3HE LYS 12 4.015 -2.075 -18.041 95 HZ1 LYS 12 3HZ LYS 12 3.498 -0.051 -19.303 96 HZ2 LYS 12 1HZ LYS 12 4.176 -1.255 -20.280 97 HZ3 LYS 12 2HZ LYS 12 5.114 0.061 -19.787 98 HA PRO 13 HA PRO 13 6.130 4.540 -12.840 99 HB2 PRO 13 2HB PRO 13 4.080 5.753 -14.202 100 HB3 PRO 13 3HB PRO 13 5.774 5.867 -14.701 101 HG2 PRO 13 2HG PRO 13 3.620 4.026 -15.696 102 HG3 PRO 13 3HG PRO 13 4.793 4.970 -16.634 103 HD2 PRO 13 2HD PRO 13 5.165 2.355 -16.181 104 HD3 PRO 13 3HD PRO 13 6.536 3.485 -16.175 105 H LEU 14 H LEU 14 4.427 5.414 -11.436 106 HA LEU 14 HA LEU 14 2.895 3.515 -10.116 107 HB2 LEU 14 2HB LEU 14 3.518 5.705 -9.176 108 HB3 LEU 14 3HB LEU 14 2.403 6.496 -10.273 109 HG LEU 14 HG LEU 14 0.510 5.350 -9.151 110 HD11 LEU 14 1HD1 LEU 14 2.631 4.344 -7.251 111 HD12 LEU 14 2HD1 LEU 14 1.678 3.360 -8.364 112 HD13 LEU 14 3HD1 LEU 14 0.890 4.194 -7.026 113 HD21 LEU 14 3HD2 LEU 14 2.319 6.919 -7.310 114 HD22 LEU 14 1HD2 LEU 14 0.592 6.650 -7.072 115 HD23 LEU 14 2HD2 LEU 14 1.156 7.593 -8.452 116 H ALA 15 H ALA 15 1.961 5.667 -12.751 117 HA ALA 15 HA ALA 15 -0.818 5.161 -12.730 118 HB1 ALA 15 3HB ALA 15 0.188 7.095 -13.844 119 HB2 ALA 15 1HB ALA 15 -0.835 6.176 -14.948 120 HB3 ALA 15 2HB ALA 15 0.921 6.028 -15.043 121 H GLU 16 H GLU 16 1.736 3.099 -13.721 122 HA GLU 16 HA GLU 16 -0.138 1.471 -15.329 123 HB2 GLU 16 2HB GLU 16 2.884 1.540 -15.472 124 HB3 GLU 16 3HB GLU 16 1.850 0.465 -16.404 125 HG2 GLU 16 2HG GLU 16 0.763 2.584 -17.330 126 HG3 GLU 16 3HG GLU 16 2.129 3.446 -16.635 127 H GLN 17 H GLN 17 0.908 1.589 -12.298 128 HA GLN 17 HA GLN 17 1.727 -1.165 -11.918 129 HB2 GLN 17 2HB GLN 17 1.076 1.049 -9.960 130 HB3 GLN 17 3HB GLN 17 1.609 -0.557 -9.478 131 HG2 GLN 17 2HG GLN 17 3.196 1.319 -11.229 132 HG3 GLN 17 3HG GLN 17 3.408 1.149 -9.487 133 HE21 GLN 17 1HE2 GLN 17 5.311 0.652 -11.633 134 HE22 GLN 17 2HE2 GLN 17 5.804 -0.994 -11.470 135 H ASP 18 H ASP 18 0.418 -2.861 -11.506 136 HA ASP 18 HA ASP 18 -2.378 -2.621 -11.798 137 HB2 ASP 18 2HB ASP 18 -0.681 -4.947 -10.887 138 HB3 ASP 18 3HB ASP 18 -2.409 -5.063 -11.211 139 H TRP 19 H TRP 19 -0.350 -2.884 -8.929 140 HA TRP 19 HA TRP 19 -2.522 -3.284 -7.116 141 HB2 TRP 19 2HB TRP 19 -0.777 -2.540 -5.370 142 HB3 TRP 19 3HB TRP 19 -0.473 -4.020 -6.267 143 HD1 TRP 19 HD1 TRP 19 1.654 -4.101 -7.812 144 HE1 TRP 19 HE1 TRP 19 3.674 -2.537 -8.124 145 HE3 TRP 19 HE3 TRP 19 -0.132 0.036 -5.387 146 HZ2 TRP 19 HZ2 TRP 19 4.414 0.093 -7.434 147 HZ3 TRP 19 HZ3 TRP 19 1.300 2.034 -5.261 148 HH2 TRP 19 HH2 TRP 19 3.525 2.061 -6.263 149 H TYR 20 H TYR 20 -1.436 -0.523 -8.788 150 HA TYR 20 HA TYR 20 -2.584 1.363 -6.871 151 HB2 TYR 20 2HB TYR 20 -0.541 2.033 -8.024 152 HB3 TYR 20 3HB TYR 20 -1.307 1.787 -9.590 153 HD1 TYR 20 HD2 TYR 20 -1.859 3.742 -6.437 154 HD2 TYR 20 HD1 TYR 20 -2.109 3.665 -10.691 155 HE1 TYR 20 HE2 TYR 20 -2.588 6.091 -6.431 156 HE2 TYR 20 HE1 TYR 20 -2.838 6.012 -10.694 157 HH TYR 20 HH TYR 20 -2.616 8.021 -7.955 158 H HIS 21 H HIS 21 -4.737 1.728 -6.872 159 HA HIS 21 HA HIS 21 -6.261 1.109 -9.328 160 HB2 HIS 21 2HB HIS 21 -7.091 1.145 -6.422 161 HB3 HIS 21 3HB HIS 21 -8.234 0.969 -7.751 162 HD1 HIS 21 HD1 HIS 21 -8.913 -1.412 -7.809 163 HD2 HIS 21 HD2 HIS 21 -4.843 -0.990 -7.108 164 HE1 HIS 21 HE1 HIS 21 -8.001 -3.744 -7.735 165 HE2 HIS 21 HE2 HIS 21 -5.510 -3.444 -7.565 166 H GLY 22 H GLY 22 -4.910 3.744 -8.451 167 HA2 GLY 22 2HA GLY 22 -5.335 5.922 -9.106 168 HA3 GLY 22 3HA GLY 22 -6.934 5.418 -9.618 169 H ALA 23 H ALA 23 -7.680 7.448 -8.756 170 HA ALA 23 HA ALA 23 -7.573 7.807 -5.862 171 HB1 ALA 23 3HB ALA 23 -7.219 9.748 -7.318 172 HB2 ALA 23 1HB ALA 23 -8.626 9.963 -6.276 173 HB3 ALA 23 2HB ALA 23 -8.844 9.551 -7.977 174 H ILE 24 H ILE 24 -8.850 5.978 -5.255 175 HA ILE 24 HA ILE 24 -11.743 6.280 -5.763 176 HB ILE 24 HB ILE 24 -12.007 3.928 -5.138 177 HG12 ILE 24 2HG1 ILE 24 -8.980 3.861 -4.917 178 HG13 ILE 24 3HG1 ILE 24 -10.098 3.775 -3.561 179 HG21 ILE 24 1HG2 ILE 24 -11.628 4.482 -7.489 180 HG22 ILE 24 2HG2 ILE 24 -10.942 2.908 -7.087 181 HG23 ILE 24 3HG2 ILE 24 -9.885 4.309 -7.255 182 HD11 ILE 24 3HD1 ILE 24 -9.825 1.754 -5.771 183 HD12 ILE 24 1HD1 ILE 24 -10.992 1.673 -4.450 184 HD13 ILE 24 2HD1 ILE 24 -9.265 1.584 -4.110 185 HA PRO 25 HA PRO 25 -12.398 7.308 -1.485 186 HB2 PRO 25 2HB PRO 25 -14.863 6.201 -1.053 187 HB3 PRO 25 3HB PRO 25 -14.605 7.705 -1.943 188 HG2 PRO 25 2HG PRO 25 -15.042 4.934 -2.999 189 HG3 PRO 25 3HG PRO 25 -15.729 6.469 -3.562 190 HD2 PRO 25 2HD PRO 25 -13.653 5.280 -4.821 191 HD3 PRO 25 3HD PRO 25 -13.811 7.048 -4.726 192 H ARG 26 H ARG 26 -12.671 6.388 0.664 193 HA ARG 26 HA ARG 26 -11.093 4.120 1.108 194 HB2 ARG 26 2HB ARG 26 -11.498 5.942 2.750 195 HB3 ARG 26 3HB ARG 26 -13.128 5.334 2.997 196 HG2 ARG 26 2HG ARG 26 -12.215 3.228 3.857 197 HG3 ARG 26 3HG ARG 26 -10.577 3.834 3.599 198 HD2 ARG 26 2HD ARG 26 -12.651 4.986 5.474 199 HD3 ARG 26 3HD ARG 26 -11.208 4.085 5.933 200 HE ARG 26 HE ARG 26 -10.447 6.326 4.415 201 HH11 ARG 26 1HH1 ARG 26 -11.732 5.547 7.501 202 HH12 ARG 26 2HH1 ARG 26 -11.098 6.963 8.255 203 HH21 ARG 26 1HH2 ARG 26 -9.625 8.146 5.380 204 HH22 ARG 26 2HH2 ARG 26 -9.932 8.437 7.058 205 H ILE 27 H ILE 27 -14.601 4.443 0.897 206 HA ILE 27 HA ILE 27 -15.391 1.911 1.743 207 HB ILE 27 HB ILE 27 -16.644 3.517 -0.500 208 HG12 ILE 27 2HG1 ILE 27 -17.243 3.547 2.477 209 HG13 ILE 27 3HG1 ILE 27 -16.394 4.813 1.599 210 HG21 ILE 27 1HG2 ILE 27 -17.447 1.222 -0.449 211 HG22 ILE 27 2HG2 ILE 27 -18.709 2.322 0.108 212 HG23 ILE 27 3HG2 ILE 27 -17.798 1.361 1.274 213 HD11 ILE 27 3HD1 ILE 27 -18.703 5.422 2.010 214 HD12 ILE 27 1HD1 ILE 27 -19.252 3.979 1.158 215 HD13 ILE 27 2HD1 ILE 27 -18.399 5.251 0.280 216 H GLU 28 H GLU 28 -14.736 2.923 -1.626 217 HA GLU 28 HA GLU 28 -14.954 0.416 -2.835 218 HB2 GLU 28 2HB GLU 28 -13.232 2.792 -3.587 219 HB3 GLU 28 3HB GLU 28 -13.488 1.397 -4.628 220 HG2 GLU 28 2HG GLU 28 -15.742 3.106 -3.591 221 HG3 GLU 28 3HG GLU 28 -14.902 3.431 -5.107 222 H ALA 29 H ALA 29 -12.267 1.859 -1.107 223 HA ALA 29 HA ALA 29 -10.236 0.068 -1.961 224 HB1 ALA 29 3HB ALA 29 -9.720 2.271 -1.035 225 HB2 ALA 29 1HB ALA 29 -8.913 0.994 -0.120 226 HB3 ALA 29 2HB ALA 29 -10.357 1.770 0.532 227 H GLN 30 H GLN 30 -12.577 -0.054 0.687 228 HA GLN 30 HA GLN 30 -11.301 -2.398 1.858 229 HB2 GLN 30 2HB GLN 30 -13.074 -2.319 3.537 230 HB3 GLN 30 3HB GLN 30 -12.320 -0.744 3.354 231 HG2 GLN 30 2HG GLN 30 -14.189 0.072 2.090 232 HG3 GLN 30 3HG GLN 30 -14.920 -1.529 2.053 233 HE21 GLN 30 1HE2 GLN 30 -16.041 0.948 3.058 234 HE22 GLN 30 2HE2 GLN 30 -16.413 0.680 4.721 235 H GLU 31 H GLU 31 -14.028 -1.681 -0.228 236 HA GLU 31 HA GLU 31 -15.548 -4.000 0.097 237 HB2 GLU 31 2HB GLU 31 -15.208 -2.181 -2.289 238 HB3 GLU 31 3HB GLU 31 -16.378 -3.494 -2.251 239 HG2 GLU 31 2HG GLU 31 -16.305 -1.175 -0.320 240 HG3 GLU 31 3HG GLU 31 -17.364 -1.299 -1.723 241 H LEU 32 H LEU 32 -12.819 -3.434 -2.126 242 HA LEU 32 HA LEU 32 -13.195 -5.986 -3.418 243 HB2 LEU 32 2HB LEU 32 -11.329 -5.400 -4.803 244 HB3 LEU 32 3HB LEU 32 -12.377 -4.010 -4.636 245 HG LEU 32 HG LEU 32 -10.620 -3.412 -2.693 246 HD11 LEU 32 1HD1 LEU 32 -9.031 -5.046 -4.677 247 HD12 LEU 32 2HD1 LEU 32 -9.249 -5.380 -2.959 248 HD13 LEU 32 3HD1 LEU 32 -8.338 -3.963 -3.469 249 HD21 LEU 32 3HD2 LEU 32 -9.478 -1.977 -4.322 250 HD22 LEU 32 1HD2 LEU 32 -11.226 -1.958 -4.553 251 HD23 LEU 32 2HD2 LEU 32 -10.203 -2.892 -5.644 252 H LEU 33 H LEU 33 -11.772 -5.112 -0.512 253 HA LEU 33 HA LEU 33 -9.691 -7.164 -0.554 254 HB2 LEU 33 2HB LEU 33 -10.623 -5.386 1.708 255 HB3 LEU 33 3HB LEU 33 -9.201 -6.413 1.726 256 HG LEU 33 HG LEU 33 -9.623 -3.986 -0.029 257 HD11 LEU 33 1HD1 LEU 33 -9.206 -3.413 2.294 258 HD12 LEU 33 2HD1 LEU 33 -7.817 -3.005 1.289 259 HD13 LEU 33 3HD1 LEU 33 -7.774 -4.444 2.312 260 HD21 LEU 33 3HD2 LEU 33 -7.280 -4.325 -0.706 261 HD22 LEU 33 1HD2 LEU 33 -8.322 -5.653 -1.216 262 HD23 LEU 33 2HD2 LEU 33 -7.258 -5.851 0.175 263 H LYS 34 H LYS 34 -10.284 -9.250 -0.231 264 HA LYS 34 HA LYS 34 -12.523 -9.791 1.626 265 HB2 LYS 34 2HB LYS 34 -13.391 -11.476 0.065 266 HB3 LYS 34 3HB LYS 34 -13.388 -9.864 -0.638 267 HG2 LYS 34 2HG LYS 34 -11.222 -10.475 -1.773 268 HG3 LYS 34 3HG LYS 34 -11.490 -12.130 -1.226 269 HD2 LYS 34 2HD LYS 34 -12.273 -11.860 -3.516 270 HD3 LYS 34 3HD LYS 34 -13.635 -12.173 -2.437 271 HE2 LYS 34 2HE LYS 34 -14.238 -9.837 -2.434 272 HE3 LYS 34 3HE LYS 34 -12.790 -9.419 -3.353 273 HZ1 LYS 34 3HZ LYS 34 -13.647 -10.683 -5.218 274 HZ2 LYS 34 1HZ LYS 34 -14.760 -9.499 -4.753 275 HZ3 LYS 34 2HZ LYS 34 -15.028 -11.114 -4.334 276 H LYS 35 H LYS 35 -9.440 -10.875 0.353 277 HA LYS 35 HA LYS 35 -9.464 -13.024 2.374 278 HB2 LYS 35 2HB LYS 35 -8.220 -14.491 0.823 279 HB3 LYS 35 3HB LYS 35 -9.827 -14.090 0.235 280 HG2 LYS 35 2HG LYS 35 -8.757 -12.320 -1.195 281 HG3 LYS 35 3HG LYS 35 -7.193 -12.994 -0.728 282 HD2 LYS 35 2HD LYS 35 -7.912 -13.889 -2.883 283 HD3 LYS 35 3HD LYS 35 -7.862 -15.170 -1.671 284 HE2 LYS 35 2HE LYS 35 -10.273 -15.051 -1.400 285 HE3 LYS 35 3HE LYS 35 -10.359 -13.684 -2.509 286 HZ1 LYS 35 3HZ LYS 35 -10.975 -15.773 -3.571 287 HZ2 LYS 35 1HZ LYS 35 -9.448 -16.414 -3.240 288 HZ3 LYS 35 2HZ LYS 35 -9.605 -15.101 -4.288 289 H GLN 36 H GLN 36 -7.399 -13.662 3.203 290 HA GLN 36 HA GLN 36 -5.828 -11.468 3.948 291 HB2 GLN 36 2HB GLN 36 -6.049 -13.479 5.323 292 HB3 GLN 36 3HB GLN 36 -5.174 -14.418 4.122 293 HG2 GLN 36 2HG GLN 36 -3.156 -13.136 4.539 294 HG3 GLN 36 3HG GLN 36 -4.025 -12.100 5.674 295 HE21 GLN 36 1HE2 GLN 36 -2.645 -12.640 7.371 296 HE22 GLN 36 2HE2 GLN 36 -2.689 -14.184 8.137 297 H GLY 37 H GLY 37 -4.751 -10.322 2.452 298 HA2 GLY 37 2HA GLY 37 -2.336 -10.583 1.530 299 HA3 GLY 37 3HA GLY 37 -3.112 -11.728 0.447 300 H ASP 38 H ASP 38 -5.559 -10.198 0.141 301 HA ASP 38 HA ASP 38 -5.025 -8.688 -2.108 302 HB2 ASP 38 2HB ASP 38 -7.303 -8.263 -0.152 303 HB3 ASP 38 3HB ASP 38 -7.262 -7.687 -1.814 304 H PHE 39 H PHE 39 -4.014 -6.761 -2.424 305 HA PHE 39 HA PHE 39 -4.452 -4.616 -0.495 306 HB2 PHE 39 2HB PHE 39 -2.129 -4.037 -0.245 307 HB3 PHE 39 3HB PHE 39 -2.340 -5.720 0.214 308 HD1 PHE 39 HD1 PHE 39 -1.433 -7.514 -1.197 309 HD2 PHE 39 HD2 PHE 39 -0.794 -3.411 -2.141 310 HE1 PHE 39 HE1 PHE 39 0.396 -8.147 -2.713 311 HE2 PHE 39 HE2 PHE 39 1.036 -4.040 -3.658 312 HZ PHE 39 HZ PHE 39 1.632 -6.413 -3.945 313 H LEU 40 H LEU 40 -4.106 -2.512 -1.274 314 HA LEU 40 HA LEU 40 -3.268 -2.092 -4.023 315 HB2 LEU 40 2HB LEU 40 -5.262 -1.044 -4.794 316 HB3 LEU 40 3HB LEU 40 -5.720 -2.612 -4.160 317 HG LEU 40 HG LEU 40 -5.979 -0.126 -2.469 318 HD11 LEU 40 1HD1 LEU 40 -7.200 0.344 -4.508 319 HD12 LEU 40 2HD1 LEU 40 -8.319 0.042 -3.180 320 HD13 LEU 40 3HD1 LEU 40 -8.033 -1.206 -4.394 321 HD21 LEU 40 3HD2 LEU 40 -7.667 -1.429 -1.303 322 HD22 LEU 40 1HD2 LEU 40 -6.139 -2.307 -1.350 323 HD23 LEU 40 2HD2 LEU 40 -7.451 -2.762 -2.436 324 H VAL 41 H VAL 41 -2.839 0.120 -4.514 325 HA VAL 41 HA VAL 41 -2.850 1.952 -2.201 326 HB VAL 41 HB VAL 41 -1.144 2.043 -4.706 327 HG11 VAL 41 1HG1 VAL 41 -1.694 4.311 -4.009 328 HG12 VAL 41 2HG1 VAL 41 -0.006 3.959 -3.637 329 HG13 VAL 41 3HG1 VAL 41 -1.213 3.946 -2.351 330 HG21 VAL 41 3HG2 VAL 41 0.724 1.674 -3.133 331 HG22 VAL 41 1HG2 VAL 41 -0.423 0.333 -3.136 332 HG23 VAL 41 2HG2 VAL 41 -0.436 1.503 -1.815 333 H ARG 42 H ARG 42 -4.025 3.783 -2.287 334 HA ARG 42 HA ARG 42 -5.352 4.492 -4.841 335 HB2 ARG 42 2HB ARG 42 -7.382 5.017 -3.637 336 HB3 ARG 42 3HB ARG 42 -6.900 3.378 -3.217 337 HG2 ARG 42 2HG ARG 42 -6.048 4.094 -1.095 338 HG3 ARG 42 3HG ARG 42 -6.272 5.790 -1.522 339 HD2 ARG 42 2HD ARG 42 -8.749 5.270 -1.724 340 HD3 ARG 42 3HD ARG 42 -8.388 3.718 -0.964 341 HE ARG 42 HE ARG 42 -7.482 5.070 0.931 342 HH11 ARG 42 1HH1 ARG 42 -9.860 6.404 -1.175 343 HH12 ARG 42 2HH1 ARG 42 -10.441 7.520 0.014 344 HH21 ARG 42 1HH2 ARG 42 -8.215 6.543 2.440 345 HH22 ARG 42 2HH2 ARG 42 -9.506 7.613 2.023 346 H GLU 43 H GLU 43 -6.183 6.789 -4.840 347 HA GLU 43 HA GLU 43 -4.456 8.567 -3.227 348 HB2 GLU 43 2HB GLU 43 -4.164 8.644 -5.731 349 HB3 GLU 43 3HB GLU 43 -5.817 9.232 -5.851 350 HG2 GLU 43 2HG GLU 43 -5.151 11.159 -4.394 351 HG3 GLU 43 3HG GLU 43 -3.485 10.597 -4.524 352 H SER 44 H SER 44 -5.435 9.897 -1.796 353 HA SER 44 HA SER 44 -8.244 9.731 -1.318 354 HB2 SER 44 2HB SER 44 -6.142 11.572 -0.140 355 HB3 SER 44 3HB SER 44 -7.802 11.447 0.450 356 HG SER 44 HG SER 44 -5.696 9.864 0.984 357 H HIS 45 H HIS 45 -9.868 11.309 -1.507 358 HA HIS 45 HA HIS 45 -9.476 13.188 -3.710 359 HB2 HIS 45 2HB HIS 45 -11.974 12.395 -2.194 360 HB3 HIS 45 3HB HIS 45 -11.946 13.496 -3.566 361 HD1 HIS 45 HD1 HIS 45 -13.142 10.399 -3.065 362 HD2 HIS 45 HD2 HIS 45 -10.218 11.756 -5.688 363 HE1 HIS 45 HE1 HIS 45 -13.069 8.713 -4.920 364 HE2 HIS 45 HE2 HIS 45 -11.415 9.636 -6.569 365 H GLY 46 H GLY 46 -10.956 13.372 -0.447 366 HA2 GLY 46 2HA GLY 46 -11.042 16.206 -0.360 367 HA3 GLY 46 3HA GLY 46 -11.189 15.129 1.020 368 H LYS 47 H LYS 47 -8.539 13.933 0.393 369 HA LYS 47 HA LYS 47 -6.785 16.122 1.325 370 HB2 LYS 47 2HB LYS 47 -7.136 14.407 3.021 371 HB3 LYS 47 3HB LYS 47 -6.681 13.147 1.888 372 HG2 LYS 47 2HG LYS 47 -4.911 13.571 3.469 373 HG3 LYS 47 3HG LYS 47 -4.401 13.998 1.839 374 HD2 LYS 47 2HD LYS 47 -4.504 16.306 2.292 375 HD3 LYS 47 3HD LYS 47 -5.476 16.062 3.746 376 HE2 LYS 47 2HE LYS 47 -3.057 16.640 4.154 377 HE3 LYS 47 3HE LYS 47 -3.623 15.171 4.946 378 HZ1 LYS 47 3HZ LYS 47 -1.449 14.860 3.936 379 HZ2 LYS 47 1HZ LYS 47 -2.053 15.278 2.417 380 HZ3 LYS 47 2HZ LYS 47 -2.589 13.869 3.186 381 HA PRO 48 HA PRO 48 -5.589 15.049 -2.983 382 HB2 PRO 48 2HB PRO 48 -4.361 17.437 -3.533 383 HB3 PRO 48 3HB PRO 48 -6.105 17.177 -3.649 384 HG2 PRO 48 2HG PRO 48 -4.518 18.403 -1.419 385 HG3 PRO 48 3HG PRO 48 -6.047 18.949 -2.136 386 HD2 PRO 48 2HD PRO 48 -5.979 17.601 0.196 387 HD3 PRO 48 3HD PRO 48 -7.299 17.378 -0.971 388 H GLY 49 H GLY 49 -3.820 14.005 -3.657 389 HA2 GLY 49 2HA GLY 49 -1.557 13.579 -3.997 390 HA3 GLY 49 3HA GLY 49 -1.163 14.842 -2.843 391 H GLU 50 H GLU 50 -3.325 13.077 -1.162 392 HA GLU 50 HA GLU 50 -1.207 11.617 0.202 393 HB2 GLU 50 2HB GLU 50 -2.836 12.908 1.524 394 HB3 GLU 50 3HB GLU 50 -4.136 11.892 0.912 395 HG2 GLU 50 2HG GLU 50 -3.145 9.947 1.997 396 HG3 GLU 50 3HG GLU 50 -1.813 10.943 2.584 397 H TYR 51 H TYR 51 -0.661 9.756 -0.758 398 HA TYR 51 HA TYR 51 -2.672 7.959 -1.840 399 HB2 TYR 51 2HB TYR 51 0.347 7.779 -1.691 400 HB3 TYR 51 3HB TYR 51 -0.673 6.527 -2.399 401 HD1 TYR 51 HD2 TYR 51 0.413 10.057 -2.750 402 HD2 TYR 51 HD1 TYR 51 -1.573 6.772 -4.596 403 HE1 TYR 51 HE2 TYR 51 0.401 11.273 -4.889 404 HE2 TYR 51 HE1 TYR 51 -1.590 7.979 -6.735 405 HH TYR 51 HH TYR 51 -1.530 10.467 -7.438 406 H VAL 52 H VAL 52 -3.458 6.192 -0.869 407 HA VAL 52 HA VAL 52 -2.395 5.498 1.803 408 HB VAL 52 HB VAL 52 -5.295 5.422 0.934 409 HG11 VAL 52 1HG1 VAL 52 -4.043 4.917 3.641 410 HG12 VAL 52 2HG1 VAL 52 -4.784 3.706 2.592 411 HG13 VAL 52 3HG1 VAL 52 -5.774 4.978 3.305 412 HG21 VAL 52 3HG2 VAL 52 -5.631 7.317 2.436 413 HG22 VAL 52 1HG2 VAL 52 -4.467 7.723 1.174 414 HG23 VAL 52 2HG2 VAL 52 -3.906 7.349 2.805 415 H LEU 53 H LEU 53 -1.796 3.462 2.085 416 HA LEU 53 HA LEU 53 -2.364 1.423 0.094 417 HB2 LEU 53 2HB LEU 53 -0.107 1.632 1.028 418 HB3 LEU 53 3HB LEU 53 -0.730 1.364 2.643 419 HG LEU 53 HG LEU 53 -1.433 -0.941 1.915 420 HD11 LEU 53 1HD1 LEU 53 -0.418 -1.878 -0.102 421 HD12 LEU 53 2HD1 LEU 53 0.209 -0.286 -0.531 422 HD13 LEU 53 3HD1 LEU 53 -1.534 -0.566 -0.489 423 HD21 LEU 53 3HD2 LEU 53 1.516 -0.326 1.678 424 HD22 LEU 53 1HD2 LEU 53 0.804 -1.893 2.064 425 HD23 LEU 53 2HD2 LEU 53 0.630 -0.544 3.188 426 H SER 54 H SER 54 -3.947 -0.057 0.281 427 HA SER 54 HA SER 54 -5.197 -0.503 2.927 428 HB2 SER 54 2HB SER 54 -6.630 0.835 1.349 429 HB3 SER 54 3HB SER 54 -6.636 -0.544 0.252 430 HG SER 54 HG SER 54 -8.215 -1.295 1.390 431 H VAL 55 H VAL 55 -4.988 -2.557 3.603 432 HA VAL 55 HA VAL 55 -4.778 -4.724 1.615 433 HB VAL 55 HB VAL 55 -2.488 -4.144 2.162 434 HG11 VAL 55 1HG1 VAL 55 -1.620 -4.217 4.444 435 HG12 VAL 55 2HG1 VAL 55 -3.240 -4.559 5.059 436 HG13 VAL 55 3HG1 VAL 55 -2.898 -3.009 4.289 437 HG21 VAL 55 3HG2 VAL 55 -1.678 -6.283 3.029 438 HG22 VAL 55 1HG2 VAL 55 -2.994 -6.530 1.880 439 HG23 VAL 55 2HG2 VAL 55 -3.294 -6.674 3.613 440 H TYR 56 H TYR 56 -5.532 -6.734 2.272 441 HA TYR 56 HA TYR 56 -7.172 -6.756 4.694 442 HB2 TYR 56 2HB TYR 56 -7.961 -7.533 2.363 443 HB3 TYR 56 3HB TYR 56 -6.984 -8.969 2.641 444 HD1 TYR 56 HD2 TYR 56 -7.637 -10.593 4.402 445 HD2 TYR 56 HD1 TYR 56 -10.036 -7.183 3.532 446 HE1 TYR 56 HE2 TYR 56 -9.524 -11.616 5.607 447 HE2 TYR 56 HE1 TYR 56 -11.920 -8.198 4.729 448 HH TYR 56 HH TYR 56 -11.584 -10.995 6.693 449 H SER 57 H SER 57 -5.999 -7.228 6.477 450 HA SER 57 HA SER 57 -4.285 -9.639 6.450 451 HB2 SER 57 2HB SER 57 -2.748 -7.792 6.320 452 HB3 SER 57 3HB SER 57 -3.594 -6.922 7.601 453 HG SER 57 HG SER 57 -1.927 -9.191 7.779 454 H ASP 58 H ASP 58 -4.374 -10.909 8.234 455 HA ASP 58 HA ASP 58 -5.110 -11.837 10.168 456 HB2 ASP 58 2HB ASP 58 -3.888 -9.735 11.007 457 HB3 ASP 58 3HB ASP 58 -5.488 -9.037 11.240 458 H GLY 59 H GLY 59 -7.078 -10.716 8.069 459 HA2 GLY 59 2HA GLY 59 -9.355 -11.309 7.864 460 HA3 GLY 59 3HA GLY 59 -9.492 -11.316 9.614 461 H GLN 60 H GLN 60 -7.915 -8.525 9.015 462 HA GLN 60 HA GLN 60 -10.418 -6.971 8.721 463 HB2 GLN 60 2HB GLN 60 -7.973 -6.323 10.397 464 HB3 GLN 60 3HB GLN 60 -9.358 -5.261 10.187 465 HG2 GLN 60 2HG GLN 60 -10.797 -6.983 11.228 466 HG3 GLN 60 3HG GLN 60 -9.364 -7.973 11.504 467 HE21 GLN 60 1HE2 GLN 60 -11.247 -6.822 13.423 468 HE22 GLN 60 2HE2 GLN 60 -10.304 -5.840 14.483 469 H ARG 61 H ARG 61 -10.191 -4.812 7.772 470 HA ARG 61 HA ARG 61 -8.206 -4.709 5.651 471 HB2 ARG 61 2HB ARG 61 -10.565 -2.962 6.353 472 HB3 ARG 61 3HB ARG 61 -9.402 -2.479 5.131 473 HG2 ARG 61 2HG ARG 61 -11.131 -3.443 3.911 474 HG3 ARG 61 3HG ARG 61 -9.922 -4.721 4.002 475 HD2 ARG 61 2HD ARG 61 -11.168 -5.760 5.844 476 HD3 ARG 61 3HD ARG 61 -12.376 -4.478 5.749 477 HE ARG 61 HE ARG 61 -11.921 -5.980 3.309 478 HH11 ARG 61 1HH1 ARG 61 -13.908 -5.521 6.095 479 HH12 ARG 61 2HH1 ARG 61 -15.188 -6.493 5.455 480 HH21 ARG 61 1HH2 ARG 61 -13.575 -7.196 2.515 481 HH22 ARG 61 2HH2 ARG 61 -15.007 -7.420 3.462 482 H ARG 62 H ARG 62 -6.209 -4.163 6.364 483 HA ARG 62 HA ARG 62 -5.785 -2.094 8.346 484 HB2 ARG 62 2HB ARG 62 -3.817 -3.655 6.650 485 HB3 ARG 62 3HB ARG 62 -3.377 -2.569 7.959 486 HG2 ARG 62 2HG ARG 62 -5.054 -5.058 8.273 487 HG3 ARG 62 3HG ARG 62 -3.327 -4.942 8.619 488 HD2 ARG 62 2HD ARG 62 -3.787 -3.238 10.327 489 HD3 ARG 62 3HD ARG 62 -5.513 -3.356 9.975 490 HE ARG 62 HE ARG 62 -4.045 -5.729 10.885 491 HH11 ARG 62 1HH1 ARG 62 -6.473 -3.346 11.411 492 HH12 ARG 62 2HH1 ARG 62 -7.189 -4.212 12.725 493 HH21 ARG 62 1HH2 ARG 62 -4.947 -6.802 12.610 494 HH22 ARG 62 2HH2 ARG 62 -6.327 -6.122 13.402 495 H HIS 63 H HIS 63 -4.979 -0.039 7.990 496 HA HIS 63 HA HIS 63 -4.738 0.820 5.170 497 HB2 HIS 63 2HB HIS 63 -6.115 2.345 7.392 498 HB3 HIS 63 3HB HIS 63 -5.895 2.913 5.742 499 HD1 HIS 63 HD1 HIS 63 -6.986 0.980 3.929 500 HD2 HIS 63 HD2 HIS 63 -8.589 1.334 7.744 501 HE1 HIS 63 HE1 HIS 63 -9.308 0.050 3.765 502 HE2 HIS 63 HE2 HIS 63 -10.313 0.448 6.036 503 H PHE 64 H PHE 64 -2.787 1.587 4.774 504 HA PHE 64 HA PHE 64 -1.293 2.972 6.913 505 HB2 PHE 64 2HB PHE 64 -0.185 1.515 4.498 506 HB3 PHE 64 3HB PHE 64 0.755 2.250 5.793 507 HD1 PHE 64 HD2 PHE 64 0.663 1.272 8.087 508 HD2 PHE 64 HD1 PHE 64 -1.087 -0.667 4.720 509 HE1 PHE 64 HE2 PHE 64 0.601 -0.845 9.338 510 HE2 PHE 64 HE1 PHE 64 -1.148 -2.782 5.971 511 HZ PHE 64 HZ PHE 64 -0.305 -2.872 8.281 512 H ILE 65 H ILE 65 -1.071 5.117 6.610 513 HA ILE 65 HA ILE 65 -1.555 6.279 3.979 514 HB ILE 65 HB ILE 65 -1.029 7.593 6.656 515 HG12 ILE 65 2HG1 ILE 65 -3.570 7.249 5.034 516 HG13 ILE 65 3HG1 ILE 65 -3.185 6.435 6.546 517 HG21 ILE 65 1HG2 ILE 65 -0.242 9.028 4.854 518 HG22 ILE 65 2HG2 ILE 65 -1.709 9.694 5.567 519 HG23 ILE 65 3HG2 ILE 65 -1.785 8.857 4.016 520 HD11 ILE 65 3HD1 ILE 65 -3.209 8.590 7.699 521 HD12 ILE 65 1HD1 ILE 65 -4.746 8.241 6.909 522 HD13 ILE 65 2HD1 ILE 65 -3.621 9.390 6.182 523 H ILE 66 H ILE 66 -0.028 7.176 2.673 524 HA ILE 66 HA ILE 66 2.769 6.747 3.358 525 HB ILE 66 HB ILE 66 1.531 7.766 0.785 526 HG12 ILE 66 2HG1 ILE 66 2.584 5.011 1.498 527 HG13 ILE 66 3HG1 ILE 66 0.887 5.442 1.326 528 HG21 ILE 66 1HG2 ILE 66 3.719 7.289 -0.224 529 HG22 ILE 66 2HG2 ILE 66 4.354 6.858 1.364 530 HG23 ILE 66 3HG2 ILE 66 3.839 8.514 1.041 531 HD11 ILE 66 3HD1 ILE 66 1.254 5.927 -1.039 532 HD12 ILE 66 1HD1 ILE 66 1.706 4.273 -0.633 533 HD13 ILE 66 2HD1 ILE 66 2.956 5.494 -0.863 534 H GLN 67 H GLN 67 3.738 8.307 4.538 535 HA GLN 67 HA GLN 67 3.086 11.117 4.146 536 HB2 GLN 67 2HB GLN 67 5.108 9.778 5.968 537 HB3 GLN 67 3HB GLN 67 4.813 11.510 5.915 538 HG2 GLN 67 2HG GLN 67 3.640 10.678 7.783 539 HG3 GLN 67 3HG GLN 67 2.431 11.028 6.548 540 HE21 GLN 67 1HE2 GLN 67 0.950 9.611 7.471 541 HE22 GLN 67 2HE2 GLN 67 1.130 7.899 7.360 542 H TYR 68 H TYR 68 4.061 12.319 2.593 543 HA TYR 68 HA TYR 68 6.623 11.454 1.491 544 HB2 TYR 68 2HB TYR 68 4.783 12.278 0.002 545 HB3 TYR 68 3HB TYR 68 4.950 13.869 0.735 546 HD1 TYR 68 HD1 TYR 68 7.284 11.312 -0.709 547 HD2 TYR 68 HD2 TYR 68 6.061 15.391 -0.626 548 HE1 TYR 68 HE1 TYR 68 9.005 11.859 -2.374 549 HE2 TYR 68 HE2 TYR 68 7.782 15.944 -2.294 550 HH TYR 68 HH TYR 68 9.883 15.079 -3.134 551 H VAL 69 H VAL 69 8.198 11.841 2.958 552 HA VAL 69 HA VAL 69 8.634 14.623 3.849 553 HB VAL 69 HB VAL 69 9.064 12.216 5.645 554 HG11 VAL 69 1HG1 VAL 69 9.308 13.882 7.421 555 HG12 VAL 69 2HG1 VAL 69 9.064 15.178 6.249 556 HG13 VAL 69 3HG1 VAL 69 10.486 14.145 6.135 557 HG21 VAL 69 3HG2 VAL 69 6.666 12.471 5.247 558 HG22 VAL 69 1HG2 VAL 69 6.757 14.175 5.695 559 HG23 VAL 69 2HG2 VAL 69 7.078 12.925 6.900 560 H ASP 70 H ASP 70 10.830 15.229 4.036 561 HA ASP 70 HA ASP 70 13.013 15.272 3.381 562 HB2 ASP 70 2HB ASP 70 12.789 12.352 4.154 563 HB3 ASP 70 3HB ASP 70 14.310 13.093 3.668 564 H ASN 71 H ASN 71 10.945 14.848 1.386 565 HA ASN 71 HA ASN 71 10.589 14.292 -0.781 566 HB2 ASN 71 2HB ASN 71 13.605 14.400 -0.748 567 HB3 ASN 71 3HB ASN 71 12.703 14.066 -2.226 568 HD21 ASN 71 1HD2 ASN 71 13.452 16.465 0.183 569 HD22 ASN 71 2HD2 ASN 71 12.829 17.813 -0.697 570 H MET 72 H MET 72 10.757 12.124 1.223 571 HA MET 72 HA MET 72 10.965 9.909 -0.705 572 HB2 MET 72 2HB MET 72 11.994 9.876 2.145 573 HB3 MET 72 3HB MET 72 11.857 8.453 1.120 574 HG2 MET 72 2HG MET 72 13.449 9.433 -0.457 575 HG3 MET 72 3HG MET 72 13.586 10.860 0.572 576 HE1 MET 72 3HE MET 72 17.032 8.947 0.982 577 HE2 MET 72 1HE MET 72 16.273 10.462 0.493 578 HE3 MET 72 2HE MET 72 16.033 9.006 -0.470 579 H TYR 73 H TYR 73 9.400 8.356 -0.552 580 HA TYR 73 HA TYR 73 7.043 8.975 1.008 581 HB2 TYR 73 2HB TYR 73 7.576 6.717 -0.944 582 HB3 TYR 73 3HB TYR 73 6.009 7.120 -0.253 583 HD1 TYR 73 HD2 TYR 73 4.839 9.186 -0.943 584 HD2 TYR 73 HD1 TYR 73 8.513 8.013 -2.758 585 HE1 TYR 73 HE2 TYR 73 4.413 10.736 -2.802 586 HE2 TYR 73 HE1 TYR 73 8.092 9.564 -4.618 587 HH TYR 73 HH TYR 73 6.274 10.704 -5.691 588 H ARG 74 H ARG 74 6.706 8.201 2.988 589 HA ARG 74 HA ARG 74 7.873 5.605 3.770 590 HB2 ARG 74 2HB ARG 74 8.379 6.635 6.011 591 HB3 ARG 74 3HB ARG 74 9.349 7.264 4.684 592 HG2 ARG 74 2HG ARG 74 7.827 9.212 4.539 593 HG3 ARG 74 3HG ARG 74 6.957 8.599 5.944 594 HD2 ARG 74 2HD ARG 74 9.898 9.266 5.941 595 HD3 ARG 74 3HD ARG 74 8.635 10.389 6.440 596 HE ARG 74 HE ARG 74 8.705 7.825 7.810 597 HH11 ARG 74 1HH1 ARG 74 9.637 11.136 7.836 598 HH12 ARG 74 2HH1 ARG 74 9.814 11.190 9.550 599 HH21 ARG 74 1HH2 ARG 74 8.963 7.899 10.018 600 HH22 ARG 74 2HH2 ARG 74 9.460 9.374 10.771 601 H PHE 75 H PHE 75 6.765 4.496 5.471 602 HA PHE 75 HA PHE 75 3.972 5.339 5.884 603 HB2 PHE 75 2HB PHE 75 5.338 2.666 6.249 604 HB3 PHE 75 3HB PHE 75 3.684 2.978 6.757 605 HD1 PHE 75 HD1 PHE 75 2.074 3.877 4.919 606 HD2 PHE 75 HD2 PHE 75 5.736 1.852 4.095 607 HE1 PHE 75 HE1 PHE 75 1.243 3.285 2.684 608 HE2 PHE 75 HE2 PHE 75 4.900 1.262 1.854 609 HZ PHE 75 HZ PHE 75 2.655 1.978 1.149 610 H GLU 76 H GLU 76 6.546 3.765 7.808 611 HA GLU 76 HA GLU 76 5.663 5.343 10.144 612 HB2 GLU 76 2HB GLU 76 5.360 2.956 10.510 613 HB3 GLU 76 3HB GLU 76 7.022 2.638 10.041 614 HG2 GLU 76 2HG GLU 76 6.803 2.503 12.440 615 HG3 GLU 76 3HG GLU 76 7.810 3.882 12.009 616 H GLY 77 H GLY 77 8.690 3.545 9.614 617 HA2 GLY 77 2HA GLY 77 10.212 5.890 10.422 618 HA3 GLY 77 3HA GLY 77 10.839 4.270 10.173 619 H THR 78 H THR 78 11.887 3.825 8.307 620 HA THR 78 HA THR 78 12.568 6.020 6.588 621 HB THR 78 HB THR 78 14.241 4.335 7.172 622 HG1 THR 78 HG1 THR 78 14.751 5.320 5.274 623 HG21 THR 78 3HG2 THR 78 12.804 2.351 7.244 624 HG22 THR 78 1HG2 THR 78 14.184 2.095 6.176 625 HG23 THR 78 2HG2 THR 78 12.594 2.433 5.493 626 H GLY 79 H GLY 79 12.728 5.515 4.108 627 HA2 GLY 79 2HA GLY 79 10.556 4.068 2.920 628 HA3 GLY 79 3HA GLY 79 10.220 5.790 2.994 629 H PHE 80 H PHE 80 10.161 5.078 0.544 630 HA PHE 80 HA PHE 80 12.869 5.390 -0.615 631 HB2 PHE 80 2HB PHE 80 10.459 3.908 -1.690 632 HB3 PHE 80 3HB PHE 80 11.903 4.231 -2.643 633 HD1 PHE 80 HD1 PHE 80 10.693 2.516 0.420 634 HD2 PHE 80 HD2 PHE 80 13.767 2.810 -2.513 635 HE1 PHE 80 HE1 PHE 80 11.710 0.454 1.286 636 HE2 PHE 80 HE2 PHE 80 14.791 0.746 -1.646 637 HZ PHE 80 HZ PHE 80 13.761 -0.435 0.253 638 H SER 81 H SER 81 13.129 6.752 -2.427 639 HA SER 81 HA SER 81 11.484 9.077 -2.469 640 HB2 SER 81 2HB SER 81 13.661 8.215 -4.400 641 HB3 SER 81 3HB SER 81 12.931 9.819 -4.353 642 HG SER 81 HG SER 81 13.954 10.263 -2.518 643 H ASN 82 H ASN 82 11.016 6.100 -3.951 644 HA ASN 82 HA ASN 82 9.161 7.283 -5.922 645 HB2 ASN 82 2HB ASN 82 10.717 4.706 -6.292 646 HB3 ASN 82 3HB ASN 82 9.632 5.456 -7.458 647 HD21 ASN 82 1HD2 ASN 82 12.440 4.756 -7.732 648 HD22 ASN 82 2HD2 ASN 82 13.263 6.218 -8.127 649 H ILE 83 H ILE 83 7.081 6.594 -5.744 650 HA ILE 83 HA ILE 83 6.207 4.941 -3.651 651 HB ILE 83 HB ILE 83 4.733 5.658 -6.197 652 HG12 ILE 83 2HG1 ILE 83 4.712 6.915 -3.437 653 HG13 ILE 83 3HG1 ILE 83 5.416 7.618 -4.889 654 HG21 ILE 83 1HG2 ILE 83 3.663 4.540 -3.598 655 HG22 ILE 83 2HG2 ILE 83 3.711 3.707 -5.153 656 HG23 ILE 83 3HG2 ILE 83 2.680 5.122 -4.942 657 HD11 ILE 83 3HD1 ILE 83 2.494 7.076 -4.406 658 HD12 ILE 83 1HD1 ILE 83 3.178 7.738 -5.892 659 HD13 ILE 83 2HD1 ILE 83 3.295 8.648 -4.386 660 HA PRO 84 HA PRO 84 5.767 1.369 -7.098 661 HB2 PRO 84 2HB PRO 84 7.947 1.593 -8.853 662 HB3 PRO 84 3HB PRO 84 6.261 1.932 -9.247 663 HG2 PRO 84 2HG PRO 84 8.438 3.823 -8.470 664 HG3 PRO 84 3HG PRO 84 7.143 4.028 -9.667 665 HD2 PRO 84 2HD PRO 84 7.004 5.222 -7.282 666 HD3 PRO 84 3HD PRO 84 5.550 4.524 -8.028 667 H GLN 85 H GLN 85 9.013 2.742 -6.427 668 HA GLN 85 HA GLN 85 10.274 0.262 -5.912 669 HB2 GLN 85 2HB GLN 85 10.966 3.107 -5.205 670 HB3 GLN 85 3HB GLN 85 11.939 1.773 -4.601 671 HG2 GLN 85 2HG GLN 85 11.396 2.327 -7.516 672 HG3 GLN 85 3HG GLN 85 12.852 2.802 -6.646 673 HE21 GLN 85 1HE2 GLN 85 11.084 0.147 -8.027 674 HE22 GLN 85 2HE2 GLN 85 12.355 -1.015 -7.916 675 H LEU 86 H LEU 86 8.657 2.564 -3.750 676 HA LEU 86 HA LEU 86 9.292 1.411 -1.292 677 HB2 LEU 86 2HB LEU 86 8.175 3.570 -1.542 678 HB3 LEU 86 3HB LEU 86 6.738 2.780 -2.158 679 HG LEU 86 HG LEU 86 6.413 1.692 0.048 680 HD11 LEU 86 1HD1 LEU 86 8.729 1.650 0.802 681 HD12 LEU 86 2HD1 LEU 86 7.695 2.454 1.980 682 HD13 LEU 86 3HD1 LEU 86 8.735 3.413 0.927 683 HD21 LEU 86 3HD2 LEU 86 6.638 4.706 0.150 684 HD22 LEU 86 1HD2 LEU 86 5.676 3.700 1.235 685 HD23 LEU 86 2HD2 LEU 86 5.268 3.786 -0.476 686 H ILE 87 H ILE 87 6.356 0.810 -3.247 687 HA ILE 87 HA ILE 87 5.434 -1.312 -1.574 688 HB ILE 87 HB ILE 87 4.594 -0.576 -4.387 689 HG12 ILE 87 2HG1 ILE 87 4.274 1.266 -2.796 690 HG13 ILE 87 3HG1 ILE 87 2.720 0.593 -3.278 691 HG21 ILE 87 1HG2 ILE 87 3.937 -2.857 -3.864 692 HG22 ILE 87 2HG2 ILE 87 2.519 -1.808 -3.869 693 HG23 ILE 87 3HG2 ILE 87 3.225 -2.329 -2.339 694 HD11 ILE 87 3HD1 ILE 87 4.158 0.044 -0.684 695 HD12 ILE 87 1HD1 ILE 87 2.599 -0.628 -1.163 696 HD13 ILE 87 2HD1 ILE 87 2.770 1.108 -0.908 697 H ASP 88 H ASP 88 6.891 -1.315 -4.851 698 HA ASP 88 HA ASP 88 6.829 -4.067 -5.296 699 HB2 ASP 88 2HB ASP 88 7.313 -2.501 -7.085 700 HB3 ASP 88 3HB ASP 88 8.809 -2.010 -6.300 701 H HIS 89 H HIS 89 9.452 -2.128 -3.796 702 HA HIS 89 HA HIS 89 11.209 -4.330 -3.502 703 HB2 HIS 89 2HB HIS 89 11.836 -1.867 -3.374 704 HB3 HIS 89 3HB HIS 89 11.214 -1.882 -1.727 705 HD1 HIS 89 HD1 HIS 89 13.854 -3.609 -3.834 706 HD2 HIS 89 HD2 HIS 89 13.043 -2.732 0.151 707 HE1 HIS 89 HE1 HIS 89 15.882 -4.347 -2.560 708 HE2 HIS 89 HE2 HIS 89 15.409 -3.744 -0.165 709 H HIS 90 H HIS 90 8.720 -2.964 -1.333 710 HA HIS 90 HA HIS 90 9.214 -4.702 0.848 711 HB2 HIS 90 2HB HIS 90 6.884 -3.062 -0.038 712 HB3 HIS 90 3HB HIS 90 6.570 -4.334 1.135 713 HD1 HIS 90 HD1 HIS 90 8.174 -0.996 0.775 714 HD2 HIS 90 HD2 HIS 90 7.741 -3.939 3.673 715 HE1 HIS 90 HE1 HIS 90 8.852 0.084 2.937 716 HE2 HIS 90 HE2 HIS 90 8.788 -1.779 4.626 717 H TYR 91 H TYR 91 7.148 -5.099 -2.013 718 HA TYR 91 HA TYR 91 6.007 -7.572 -1.258 719 HB2 TYR 91 2HB TYR 91 5.077 -6.116 -3.030 720 HB3 TYR 91 3HB TYR 91 6.473 -6.468 -4.044 721 HD1 TYR 91 HD1 TYR 91 3.406 -7.897 -2.560 722 HD2 TYR 91 HD2 TYR 91 6.633 -8.543 -5.264 723 HE1 TYR 91 HE1 TYR 91 2.249 -9.861 -3.472 724 HE2 TYR 91 HE2 TYR 91 5.474 -10.509 -6.185 725 HH TYR 91 HH TYR 91 3.763 -12.141 -5.462 726 H THR 92 H THR 92 8.806 -6.839 -3.356 727 HA THR 92 HA THR 92 9.440 -9.516 -4.000 728 HB THR 92 HB THR 92 11.666 -8.651 -4.690 729 HG1 THR 92 HG1 THR 92 11.288 -6.036 -4.470 730 HG21 THR 92 3HG2 THR 92 10.866 -7.137 -6.442 731 HG22 THR 92 1HG2 THR 92 9.349 -6.914 -5.568 732 HG23 THR 92 2HG2 THR 92 9.759 -8.495 -6.233 733 H THR 93 H THR 93 10.778 -7.349 -1.498 734 HA THR 93 HA THR 93 12.508 -9.373 -0.402 735 HB THR 93 HB THR 93 12.952 -7.819 1.423 736 HG1 THR 93 HG1 THR 93 11.384 -5.759 0.468 737 HG21 THR 93 3HG2 THR 93 13.833 -5.938 0.146 738 HG22 THR 93 1HG2 THR 93 12.797 -6.357 -1.219 739 HG23 THR 93 2HG2 THR 93 14.092 -7.449 -0.725 740 H LYS 94 H LYS 94 9.183 -8.693 -0.084 741 HA LYS 94 HA LYS 94 7.503 -9.587 1.156 742 HB2 LYS 94 2HB LYS 94 8.894 -11.681 0.498 743 HB3 LYS 94 3HB LYS 94 9.432 -11.670 2.171 744 HG2 LYS 94 2HG LYS 94 7.602 -13.214 1.926 745 HG3 LYS 94 3HG LYS 94 7.070 -11.838 2.896 746 HD2 LYS 94 2HD LYS 94 5.953 -10.867 0.965 747 HD3 LYS 94 3HD LYS 94 6.557 -12.165 -0.069 748 HE2 LYS 94 2HE LYS 94 4.676 -12.509 2.274 749 HE3 LYS 94 3HE LYS 94 4.207 -12.506 0.573 750 HZ1 LYS 94 3HZ LYS 94 4.411 -14.753 1.397 751 HZ2 LYS 94 1HZ LYS 94 6.009 -14.476 1.879 752 HZ3 LYS 94 2HZ LYS 94 5.605 -14.461 0.238 753 H GLN 95 H GLN 95 9.127 -7.525 2.311 754 HA GLN 95 HA GLN 95 9.386 -8.164 5.149 755 HB2 GLN 95 2HB GLN 95 9.994 -5.655 3.573 756 HB3 GLN 95 3HB GLN 95 10.204 -5.784 5.313 757 HG2 GLN 95 2HG GLN 95 11.601 -7.523 3.288 758 HG3 GLN 95 3HG GLN 95 12.294 -6.078 4.021 759 HE21 GLN 95 1HE2 GLN 95 11.323 -9.370 4.553 760 HE22 GLN 95 2HE2 GLN 95 12.129 -9.571 6.068 761 H VAL 96 H VAL 96 8.529 -6.564 6.757 762 HA VAL 96 HA VAL 96 5.690 -6.286 6.393 763 HB VAL 96 HB VAL 96 5.655 -5.474 8.711 764 HG11 VAL 96 1HG1 VAL 96 7.411 -7.903 8.316 765 HG12 VAL 96 2HG1 VAL 96 5.646 -7.877 8.317 766 HG13 VAL 96 3HG1 VAL 96 6.532 -7.499 9.794 767 HG21 VAL 96 3HG2 VAL 96 7.709 -4.171 8.743 768 HG22 VAL 96 1HG2 VAL 96 8.672 -5.635 8.545 769 HG23 VAL 96 2HG2 VAL 96 7.747 -5.379 10.025 770 H ILE 97 H ILE 97 4.460 -4.419 6.304 771 HA ILE 97 HA ILE 97 5.582 -2.075 5.171 772 HB ILE 97 HB ILE 97 2.873 -2.470 6.470 773 HG12 ILE 97 2HG1 ILE 97 3.231 -3.973 4.572 774 HG13 ILE 97 3HG1 ILE 97 2.063 -2.726 4.148 775 HG21 ILE 97 1HG2 ILE 97 3.872 -0.238 4.692 776 HG22 ILE 97 2HG2 ILE 97 3.373 -0.109 6.381 777 HG23 ILE 97 3HG2 ILE 97 2.185 -0.492 5.138 778 HD11 ILE 97 3HD1 ILE 97 4.966 -2.798 3.343 779 HD12 ILE 97 1HD1 ILE 97 3.829 -1.507 2.950 780 HD13 ILE 97 2HD1 ILE 97 3.574 -3.131 2.314 781 H THR 98 H THR 98 3.958 -2.439 8.339 782 HA THR 98 HA THR 98 5.999 -0.674 9.531 783 HB THR 98 HB THR 98 4.327 0.389 10.973 784 HG1 THR 98 HG1 THR 98 2.035 0.042 10.346 785 HG21 THR 98 3HG2 THR 98 4.845 1.497 8.847 786 HG22 THR 98 1HG2 THR 98 3.165 1.772 9.312 787 HG23 THR 98 2HG2 THR 98 3.551 0.598 8.055 788 H LYS 99 H LYS 99 6.893 -1.505 11.356 789 HA LYS 99 HA LYS 99 6.344 -4.095 12.279 790 HB2 LYS 99 2HB LYS 99 7.811 -1.793 13.571 791 HB3 LYS 99 3HB LYS 99 7.666 -3.361 14.351 792 HG2 LYS 99 2HG LYS 99 9.776 -3.318 13.285 793 HG3 LYS 99 3HG LYS 99 8.743 -4.376 12.327 794 HD2 LYS 99 2HD LYS 99 8.344 -2.496 10.753 795 HD3 LYS 99 3HD LYS 99 9.461 -1.507 11.695 796 HE2 LYS 99 2HE LYS 99 10.126 -4.068 10.238 797 HE3 LYS 99 3HE LYS 99 10.573 -2.439 9.737 798 HZ1 LYS 99 3HZ LYS 99 11.879 -2.242 11.791 799 HZ2 LYS 99 1HZ LYS 99 12.421 -3.505 10.807 800 HZ3 LYS 99 2HZ LYS 99 11.502 -3.842 12.185 801 H LYS 100 H LYS 100 4.974 -1.026 13.179 802 HA LYS 100 HA LYS 100 3.701 -1.601 15.576 803 HB2 LYS 100 2HB LYS 100 2.584 0.011 13.264 804 HB3 LYS 100 3HB LYS 100 2.038 0.099 14.934 805 HG2 LYS 100 2HG LYS 100 4.797 0.838 13.963 806 HG3 LYS 100 3HG LYS 100 3.494 1.976 14.307 807 HD2 LYS 100 2HD LYS 100 3.467 1.183 16.659 808 HD3 LYS 100 3HD LYS 100 4.827 0.118 16.289 809 HE2 LYS 100 2HE LYS 100 5.585 2.176 17.371 810 HE3 LYS 100 3HE LYS 100 6.202 2.061 15.724 811 HZ1 LYS 100 3HZ LYS 100 5.364 4.286 16.294 812 HZ2 LYS 100 1HZ LYS 100 3.816 3.644 16.514 813 HZ3 LYS 100 2HZ LYS 100 4.540 3.604 14.989 814 H SER 101 H SER 101 2.668 -2.357 12.273 815 HA SER 101 HA SER 101 0.283 -3.756 13.246 816 HB2 SER 101 2HB SER 101 -0.336 -3.927 10.868 817 HB3 SER 101 3HB SER 101 0.039 -2.259 11.299 818 HG SER 101 HG SER 101 1.754 -2.295 10.042 819 H GLY 102 H GLY 102 2.954 -4.464 10.976 820 HA2 GLY 102 2HA GLY 102 4.261 -6.461 10.997 821 HA3 GLY 102 3HA GLY 102 2.992 -7.257 11.914 822 H VAL 103 H VAL 103 2.125 -5.343 9.155 823 HA VAL 103 HA VAL 103 1.032 -7.697 7.854 824 HB VAL 103 HB VAL 103 0.842 -4.786 7.058 825 HG11 VAL 103 1HG1 VAL 103 -1.058 -5.514 5.674 826 HG12 VAL 103 2HG1 VAL 103 -0.715 -7.191 6.093 827 HG13 VAL 103 3HG1 VAL 103 0.456 -6.256 5.159 828 HG21 VAL 103 3HG2 VAL 103 -0.164 -5.187 9.241 829 HG22 VAL 103 1HG2 VAL 103 -1.103 -6.526 8.584 830 HG23 VAL 103 2HG2 VAL 103 -1.414 -4.877 8.035 831 H VAL 104 H VAL 104 1.792 -8.669 6.074 832 HA VAL 104 HA VAL 104 4.041 -7.444 4.599 833 HB VAL 104 HB VAL 104 3.361 -10.389 4.830 834 HG11 VAL 104 1HG1 VAL 104 5.759 -9.007 3.622 835 HG12 VAL 104 2HG1 VAL 104 4.491 -9.860 2.741 836 HG13 VAL 104 3HG1 VAL 104 5.571 -10.750 3.814 837 HG21 VAL 104 3HG2 VAL 104 5.352 -10.559 6.262 838 HG22 VAL 104 1HG2 VAL 104 4.124 -9.508 6.974 839 HG23 VAL 104 2HG2 VAL 104 5.544 -8.806 6.195 840 H LEU 105 H LEU 105 4.073 -7.719 2.272 841 HA LEU 105 HA LEU 105 1.378 -7.685 1.134 842 HB2 LEU 105 2HB LEU 105 4.030 -6.917 -0.099 843 HB3 LEU 105 3HB LEU 105 2.459 -6.706 -0.851 844 HG LEU 105 HG LEU 105 3.443 -5.302 1.641 845 HD11 LEU 105 1HD1 LEU 105 4.491 -4.486 -0.415 846 HD12 LEU 105 2HD1 LEU 105 3.389 -3.287 0.259 847 HD13 LEU 105 3HD1 LEU 105 2.900 -4.245 -1.139 848 HD21 LEU 105 3HD2 LEU 105 1.045 -5.718 1.782 849 HD22 LEU 105 1HD2 LEU 105 0.813 -5.031 0.174 850 HD23 LEU 105 2HD2 LEU 105 1.359 -4.006 1.502 851 H LEU 106 H LEU 106 0.551 -9.333 0.025 852 HA LEU 106 HA LEU 106 2.283 -10.966 -1.675 853 HB2 LEU 106 2HB LEU 106 1.178 -13.059 -0.969 854 HB3 LEU 106 3HB LEU 106 2.133 -12.330 0.301 855 HG LEU 106 HG LEU 106 -0.871 -12.022 0.149 856 HD11 LEU 106 1HD1 LEU 106 0.720 -14.086 1.672 857 HD12 LEU 106 2HD1 LEU 106 -0.347 -14.396 0.305 858 HD13 LEU 106 3HD1 LEU 106 -1.013 -13.802 1.826 859 HD21 LEU 106 3HD2 LEU 106 0.276 -10.363 1.528 860 HD22 LEU 106 1HD2 LEU 106 1.104 -11.647 2.411 861 HD23 LEU 106 2HD2 LEU 106 -0.648 -11.474 2.537 862 H ASN 107 H ASN 107 1.089 -12.170 -3.327 863 HA ASN 107 HA ASN 107 -0.118 -11.754 -5.246 864 HB2 ASN 107 2HB ASN 107 -2.503 -12.622 -4.886 865 HB3 ASN 107 3HB ASN 107 -1.156 -13.683 -4.516 866 HD21 ASN 107 1HD2 ASN 107 -2.374 -11.072 -2.444 867 HD22 ASN 107 2HD2 ASN 107 -2.903 -12.120 -1.185 868 HA PRO 108 HA PRO 108 -1.708 -7.502 -4.714 869 HB2 PRO 108 2HB PRO 108 -0.860 -6.579 -7.112 870 HB3 PRO 108 3HB PRO 108 0.227 -6.760 -5.729 871 HG2 PRO 108 2HG PRO 108 -0.181 -8.596 -8.065 872 HG3 PRO 108 3HG PRO 108 1.337 -8.053 -7.323 873 HD2 PRO 108 2HD PRO 108 0.226 -10.476 -6.786 874 HD3 PRO 108 3HD PRO 108 1.180 -9.576 -5.589 875 H ILE 109 H ILE 109 -3.522 -6.450 -5.524 876 HA ILE 109 HA ILE 109 -5.251 -8.034 -7.274 877 HB ILE 109 HB ILE 109 -5.871 -5.526 -5.690 878 HG12 ILE 109 2HG1 ILE 109 -5.321 -7.392 -4.213 879 HG13 ILE 109 3HG1 ILE 109 -7.049 -7.065 -4.142 880 HG21 ILE 109 1HG2 ILE 109 -7.713 -7.433 -7.146 881 HG22 ILE 109 2HG2 ILE 109 -7.374 -5.755 -7.581 882 HG23 ILE 109 3HG2 ILE 109 -8.234 -6.120 -6.087 883 HD11 ILE 109 3HD1 ILE 109 -5.742 -9.273 -5.716 884 HD12 ILE 109 1HD1 ILE 109 -7.475 -8.954 -5.619 885 HD13 ILE 109 2HD1 ILE 109 -6.584 -9.450 -4.178 886 HA PRO 110 HA PRO 110 -4.109 -5.493 -10.843 887 HB2 PRO 110 2HB PRO 110 -6.665 -6.635 -11.871 888 HB3 PRO 110 3HB PRO 110 -5.063 -6.612 -12.616 889 HG2 PRO 110 2HG PRO 110 -6.019 -8.856 -11.556 890 HG3 PRO 110 3HG PRO 110 -4.308 -8.424 -11.367 891 HD2 PRO 110 2HD PRO 110 -6.550 -8.209 -9.390 892 HD3 PRO 110 3HD PRO 110 -4.861 -8.695 -9.132 893 H LYS 111 H LYS 111 -4.738 -3.508 -11.661 894 HA LYS 111 HA LYS 111 -6.495 -1.996 -10.026 895 HB2 LYS 111 2HB LYS 111 -5.842 -0.082 -11.271 896 HB3 LYS 111 3HB LYS 111 -4.423 -1.106 -11.127 897 HG2 LYS 111 2HG LYS 111 -6.180 -1.013 -13.580 898 HG3 LYS 111 3HG LYS 111 -4.741 -0.020 -13.358 899 HD2 LYS 111 2HD LYS 111 -3.400 -2.090 -13.110 900 HD3 LYS 111 3HD LYS 111 -4.848 -3.040 -13.444 901 HE2 LYS 111 2HE LYS 111 -5.016 -1.993 -15.653 902 HE3 LYS 111 3HE LYS 111 -3.581 -1.028 -15.307 903 HZ1 LYS 111 3HZ LYS 111 -3.679 -3.992 -15.465 904 HZ2 LYS 111 1HZ LYS 111 -2.300 -3.073 -15.124 905 HZ3 LYS 111 2HZ LYS 111 -3.039 -2.959 -16.639 906 H ASP 112 H ASP 112 -8.160 -0.497 -10.891 907 HA ASP 112 HA ASP 112 -10.047 -1.941 -12.605 908 HB2 ASP 112 2HB ASP 112 -10.433 0.481 -10.820 909 HB3 ASP 112 3HB ASP 112 -11.706 -0.304 -11.745 910 H LYS 113 H LYS 113 -10.852 -1.112 -14.514 911 HA LYS 113 HA LYS 113 -9.785 1.430 -15.513 912 HB2 LYS 113 2HB LYS 113 -11.620 -0.577 -16.859 913 HB3 LYS 113 3HB LYS 113 -10.895 0.827 -17.630 914 HG2 LYS 113 2HG LYS 113 -9.450 -1.594 -16.555 915 HG3 LYS 113 3HG LYS 113 -9.675 -1.158 -18.251 916 HD2 LYS 113 2HD LYS 113 -8.093 0.411 -16.203 917 HD3 LYS 113 3HD LYS 113 -7.417 -0.600 -17.480 918 HE2 LYS 113 2HE LYS 113 -8.401 0.870 -19.172 919 HE3 LYS 113 3HE LYS 113 -9.110 1.868 -17.903 920 HZ1 LYS 113 3HZ LYS 113 -6.201 1.439 -18.315 921 HZ2 LYS 113 1HZ LYS 113 -6.901 2.428 -17.135 922 HZ3 LYS 113 2HZ LYS 113 -7.061 2.821 -18.773 923 H LYS 114 H LYS 114 -11.878 0.852 -13.336 924 HA LYS 114 HA LYS 114 -14.431 1.646 -13.943 925 HB2 LYS 114 2HB LYS 114 -13.688 0.760 -11.781 926 HB3 LYS 114 3HB LYS 114 -12.824 2.253 -11.451 927 HG2 LYS 114 2HG LYS 114 -14.900 3.481 -11.338 928 HG3 LYS 114 3HG LYS 114 -15.810 2.046 -11.814 929 HD2 LYS 114 2HD LYS 114 -14.157 2.329 -9.297 930 HD3 LYS 114 3HD LYS 114 -15.914 2.434 -9.383 931 HE2 LYS 114 2HE LYS 114 -16.003 0.114 -10.207 932 HE3 LYS 114 3HE LYS 114 -14.248 0.017 -10.100 933 HZ1 LYS 114 3HZ LYS 114 -15.185 -0.998 -8.179 934 HZ2 LYS 114 1HZ LYS 114 -16.155 0.349 -7.852 935 HZ3 LYS 114 2HZ LYS 114 -14.480 0.456 -7.687 936 H TRP 115 H TRP 115 -15.575 3.632 -13.822 937 HA TRP 115 HA TRP 115 -14.123 5.811 -15.014 938 HB2 TRP 115 2HB TRP 115 -17.023 5.849 -14.167 939 HB3 TRP 115 3HB TRP 115 -16.248 6.812 -15.421 940 HD1 TRP 115 HD1 TRP 115 -18.606 4.193 -15.302 941 HE1 TRP 115 HE1 TRP 115 -18.494 2.621 -17.333 942 HE3 TRP 115 HE3 TRP 115 -13.974 5.458 -17.078 943 HZ2 TRP 115 HZ2 TRP 115 -16.702 1.992 -19.400 944 HZ3 TRP 115 HZ3 TRP 115 -13.139 4.312 -19.090 945 HH2 TRP 115 HH2 TRP 115 -14.476 2.616 -20.223 946 H ILE 116 H ILE 116 -12.760 6.019 -13.008 947 HA ILE 116 HA ILE 116 -13.977 7.951 -11.150 948 HB ILE 116 HB ILE 116 -12.243 7.099 -9.447 949 HG12 ILE 116 2HG1 ILE 116 -11.921 4.523 -9.786 950 HG13 ILE 116 3HG1 ILE 116 -12.151 4.881 -11.492 951 HG21 ILE 116 1HG2 ILE 116 -14.595 5.367 -10.212 952 HG22 ILE 116 2HG2 ILE 116 -14.633 6.798 -9.181 953 HG23 ILE 116 3HG2 ILE 116 -13.777 5.353 -8.649 954 HD11 ILE 116 3HD1 ILE 116 -10.008 6.019 -9.711 955 HD12 ILE 116 1HD1 ILE 116 -10.225 6.383 -11.423 956 HD13 ILE 116 2HD1 ILE 116 -9.803 4.749 -10.915 Start of MODEL 4 1 H1 MET 1 1H MET 1 6.107 6.887 -43.199 2 H2 MET 1 2H MET 1 7.004 7.763 -42.067 3 H3 MET 1 3H MET 1 6.544 6.174 -41.729 4 HA MET 1 HA MET 1 7.918 5.348 -43.516 5 HB2 MET 1 2HB MET 1 9.491 6.882 -44.661 6 HB3 MET 1 3HB MET 1 7.811 7.271 -45.005 7 HG2 MET 1 2HG MET 1 7.884 9.118 -43.439 8 HG3 MET 1 3HG MET 1 9.532 8.699 -42.982 9 HE1 MET 1 3HE MET 1 8.388 10.200 -47.198 10 HE2 MET 1 1HE MET 1 7.214 9.874 -45.924 11 HE3 MET 1 2HE MET 1 8.104 8.543 -46.663 12 H GLY 2 H GLY 2 9.800 4.424 -42.828 13 HA2 GLY 2 2HA GLY 2 11.631 3.971 -41.519 14 HA3 GLY 2 3HA GLY 2 11.821 5.706 -41.348 15 H HIS 3 H HIS 3 10.512 2.795 -39.902 16 HA HIS 3 HA HIS 3 9.283 4.063 -37.671 17 HB2 HIS 3 2HB HIS 3 10.214 1.225 -38.108 18 HB3 HIS 3 3HB HIS 3 9.442 1.751 -36.614 19 HD1 HIS 3 HD1 HIS 3 8.416 -0.248 -39.038 20 HD2 HIS 3 HD2 HIS 3 6.988 3.495 -37.945 21 HE1 HIS 3 HE1 HIS 3 6.044 -0.174 -39.846 22 HE2 HIS 3 HE2 HIS 3 5.153 2.020 -39.009 23 H HIS 4 H HIS 4 10.834 5.589 -36.929 24 HA HIS 4 HA HIS 4 13.283 4.633 -35.713 25 HB2 HIS 4 2HB HIS 4 11.930 7.340 -35.684 26 HB3 HIS 4 3HB HIS 4 13.451 7.003 -34.863 27 HD1 HIS 4 HD1 HIS 4 15.553 6.706 -36.320 28 HD2 HIS 4 HD2 HIS 4 12.103 7.518 -38.488 29 HE1 HIS 4 HE1 HIS 4 16.331 7.266 -38.638 30 HE2 HIS 4 HE2 HIS 4 14.221 7.559 -39.968 31 H HIS 5 H HIS 5 12.220 3.023 -34.380 32 HA HIS 5 HA HIS 5 11.845 3.888 -31.691 33 HB2 HIS 5 2HB HIS 5 9.623 4.500 -32.450 34 HB3 HIS 5 3HB HIS 5 9.399 2.925 -33.200 35 HD1 HIS 5 HD1 HIS 5 8.329 1.172 -31.804 36 HD2 HIS 5 HD2 HIS 5 9.724 4.349 -29.515 37 HE1 HIS 5 HE1 HIS 5 7.545 0.710 -29.464 38 HE2 HIS 5 HE2 HIS 5 8.493 2.588 -28.078 39 H HIS 6 H HIS 6 12.071 2.201 -30.235 40 HA HIS 6 HA HIS 6 12.203 -0.538 -31.322 41 HB2 HIS 6 2HB HIS 6 14.488 0.386 -31.227 42 HB3 HIS 6 3HB HIS 6 14.271 0.762 -29.523 43 HD1 HIS 6 HD1 HIS 6 14.425 -2.247 -31.827 44 HD2 HIS 6 HD2 HIS 6 14.980 -1.267 -27.825 45 HE1 HIS 6 HE1 HIS 6 15.308 -4.328 -30.739 46 HE2 HIS 6 HE2 HIS 6 15.841 -3.641 -28.379 47 H HIS 7 H HIS 7 11.950 -2.232 -29.719 48 HA HIS 7 HA HIS 7 10.060 -1.699 -27.686 49 HB2 HIS 7 2HB HIS 7 10.357 -3.891 -28.851 50 HB3 HIS 7 3HB HIS 7 11.854 -4.129 -27.958 51 HD1 HIS 7 HD1 HIS 7 11.465 -5.780 -26.172 52 HD2 HIS 7 HD2 HIS 7 8.182 -3.285 -26.676 53 HE1 HIS 7 HE1 HIS 7 9.784 -6.532 -24.472 54 HE2 HIS 7 HE2 HIS 7 7.874 -4.906 -24.685 55 H HIS 8 H HIS 8 11.082 0.036 -26.526 56 HA HIS 8 HA HIS 8 13.593 -0.454 -25.139 57 HB2 HIS 8 2HB HIS 8 13.072 1.696 -26.326 58 HB3 HIS 8 3HB HIS 8 11.831 2.013 -25.121 59 HD1 HIS 8 HD1 HIS 8 15.557 1.827 -25.534 60 HD2 HIS 8 HD2 HIS 8 12.764 3.007 -22.699 61 HE1 HIS 8 HE1 HIS 8 16.863 3.055 -23.784 62 HE2 HIS 8 HE2 HIS 8 15.128 3.926 -22.186 63 H SER 9 H SER 9 13.584 -1.437 -23.212 64 HA SER 9 HA SER 9 11.203 -1.538 -21.569 65 HB2 SER 9 2HB SER 9 12.622 -3.529 -21.760 66 HB3 SER 9 3HB SER 9 13.976 -2.650 -21.050 67 HG SER 9 HG SER 9 13.115 -2.852 -19.116 68 H HIS 10 H HIS 10 10.805 -0.528 -19.670 69 HA HIS 10 HA HIS 10 12.862 0.747 -18.116 70 HB2 HIS 10 2HB HIS 10 12.454 2.486 -19.835 71 HB3 HIS 10 3HB HIS 10 10.748 2.506 -19.399 72 HD1 HIS 10 HD1 HIS 10 10.088 3.733 -17.235 73 HD2 HIS 10 HD2 HIS 10 14.180 3.726 -17.972 74 HE1 HIS 10 HE1 HIS 10 11.067 5.364 -15.605 75 HE2 HIS 10 HE2 HIS 10 13.551 5.144 -15.901 76 H MET 11 H MET 11 12.086 1.460 -16.036 77 HA MET 11 HA MET 11 10.113 -0.114 -14.854 78 HB2 MET 11 2HB MET 11 11.096 2.581 -13.875 79 HB3 MET 11 3HB MET 11 10.319 1.341 -12.899 80 HG2 MET 11 2HG MET 11 12.667 1.279 -12.483 81 HG3 MET 11 3HG MET 11 12.227 -0.167 -13.389 82 HE1 MET 11 3HE MET 11 14.741 -0.654 -14.048 83 HE2 MET 11 1HE MET 11 15.242 0.744 -13.097 84 HE3 MET 11 2HE MET 11 15.820 0.550 -14.753 85 H LYS 12 H LYS 12 7.973 0.177 -14.339 86 HA LYS 12 HA LYS 12 6.491 2.060 -15.958 87 HB2 LYS 12 2HB LYS 12 5.651 -0.128 -14.051 88 HB3 LYS 12 3HB LYS 12 4.497 0.905 -14.880 89 HG2 LYS 12 2HG LYS 12 6.519 -0.854 -16.262 90 HG3 LYS 12 3HG LYS 12 4.832 -1.289 -15.976 91 HD2 LYS 12 2HD LYS 12 4.113 0.646 -17.313 92 HD3 LYS 12 3HD LYS 12 5.801 1.076 -17.600 93 HE2 LYS 12 2HE LYS 12 4.813 -0.114 -19.506 94 HE3 LYS 12 3HE LYS 12 6.155 -1.008 -18.794 95 HZ1 LYS 12 3HZ LYS 12 4.603 -2.447 -17.677 96 HZ2 LYS 12 1HZ LYS 12 4.245 -2.425 -19.329 97 HZ3 LYS 12 2HZ LYS 12 3.286 -1.552 -18.246 98 HA PRO 13 HA PRO 13 5.988 5.145 -12.718 99 HB2 PRO 13 2HB PRO 13 3.899 6.500 -13.856 100 HB3 PRO 13 3HB PRO 13 5.583 6.697 -14.362 101 HG2 PRO 13 2HG PRO 13 3.418 5.027 -15.595 102 HG3 PRO 13 3HG PRO 13 4.613 6.074 -16.385 103 HD2 PRO 13 2HD PRO 13 4.919 3.397 -16.273 104 HD3 PRO 13 3HD PRO 13 6.306 4.503 -16.192 105 H LEU 14 H LEU 14 4.068 6.034 -11.409 106 HA LEU 14 HA LEU 14 2.954 3.928 -9.987 107 HB2 LEU 14 2HB LEU 14 3.291 6.179 -9.084 108 HB3 LEU 14 3HB LEU 14 2.007 6.791 -10.109 109 HG LEU 14 HG LEU 14 0.364 5.431 -8.891 110 HD11 LEU 14 1HD1 LEU 14 2.695 4.600 -7.160 111 HD12 LEU 14 2HD1 LEU 14 1.790 3.561 -8.262 112 HD13 LEU 14 3HD1 LEU 14 0.996 4.246 -6.845 113 HD21 LEU 14 3HD2 LEU 14 0.783 7.701 -8.138 114 HD22 LEU 14 1HD2 LEU 14 2.100 7.140 -7.105 115 HD23 LEU 14 2HD2 LEU 14 0.438 6.654 -6.762 116 H ALA 15 H ALA 15 1.384 5.923 -12.493 117 HA ALA 15 HA ALA 15 -1.217 4.879 -12.161 118 HB1 ALA 15 3HB ALA 15 -0.747 6.976 -13.329 119 HB2 ALA 15 1HB ALA 15 -1.718 5.882 -14.317 120 HB3 ALA 15 2HB ALA 15 0.004 6.074 -14.644 121 H GLU 16 H GLU 16 1.547 3.454 -13.636 122 HA GLU 16 HA GLU 16 -0.017 1.612 -15.287 123 HB2 GLU 16 2HB GLU 16 2.967 1.962 -14.929 124 HB3 GLU 16 3HB GLU 16 2.235 0.762 -15.988 125 HG2 GLU 16 2HG GLU 16 1.858 3.741 -16.249 126 HG3 GLU 16 3HG GLU 16 3.024 2.788 -17.163 127 H GLN 17 H GLN 17 0.931 1.733 -12.110 128 HA GLN 17 HA GLN 17 1.769 -1.002 -11.744 129 HB2 GLN 17 2HB GLN 17 0.919 1.082 -9.716 130 HB3 GLN 17 3HB GLN 17 1.675 -0.462 -9.336 131 HG2 GLN 17 2HG GLN 17 2.939 1.732 -10.973 132 HG3 GLN 17 3HG GLN 17 3.256 1.422 -9.267 133 HE21 GLN 17 1HE2 GLN 17 5.041 1.359 -11.627 134 HE22 GLN 17 2HE2 GLN 17 5.756 -0.214 -11.616 135 H ASP 18 H ASP 18 0.506 -2.741 -11.442 136 HA ASP 18 HA ASP 18 -2.287 -2.560 -11.850 137 HB2 ASP 18 2HB ASP 18 -0.557 -4.884 -10.994 138 HB3 ASP 18 3HB ASP 18 -2.261 -5.030 -11.408 139 H TRP 19 H TRP 19 -0.384 -2.727 -8.924 140 HA TRP 19 HA TRP 19 -2.655 -3.294 -7.230 141 HB2 TRP 19 2HB TRP 19 -0.967 -2.681 -5.375 142 HB3 TRP 19 3HB TRP 19 -0.658 -4.121 -6.338 143 HD1 TRP 19 HD1 TRP 19 1.578 -4.226 -7.672 144 HE1 TRP 19 HE1 TRP 19 3.614 -2.669 -7.882 145 HE3 TRP 19 HE3 TRP 19 -0.344 -0.043 -5.423 146 HZ2 TRP 19 HZ2 TRP 19 4.317 -0.031 -7.192 147 HZ3 TRP 19 HZ3 TRP 19 1.082 1.955 -5.242 148 HH2 TRP 19 HH2 TRP 19 3.365 1.958 -6.109 149 H TYR 20 H TYR 20 -1.689 -0.559 -8.848 150 HA TYR 20 HA TYR 20 -2.705 1.316 -6.829 151 HB2 TYR 20 2HB TYR 20 -0.649 1.987 -7.927 152 HB3 TYR 20 3HB TYR 20 -1.373 1.753 -9.515 153 HD1 TYR 20 HD2 TYR 20 -1.790 3.767 -6.395 154 HD2 TYR 20 HD1 TYR 20 -2.328 3.571 -10.616 155 HE1 TYR 20 HE2 TYR 20 -2.516 6.112 -6.410 156 HE2 TYR 20 HE1 TYR 20 -3.062 5.917 -10.637 157 HH TYR 20 HH TYR 20 -2.593 8.013 -8.090 158 H HIS 21 H HIS 21 -4.786 1.994 -6.878 159 HA HIS 21 HA HIS 21 -6.327 1.519 -9.363 160 HB2 HIS 21 2HB HIS 21 -7.160 1.180 -6.481 161 HB3 HIS 21 3HB HIS 21 -8.318 1.237 -7.805 162 HD1 HIS 21 HD1 HIS 21 -8.902 -0.971 -8.759 163 HD2 HIS 21 HD2 HIS 21 -5.157 -1.021 -6.958 164 HE1 HIS 21 HE1 HIS 21 -8.115 -3.347 -8.914 165 HE2 HIS 21 HE2 HIS 21 -5.773 -3.307 -8.002 166 H GLY 22 H GLY 22 -4.994 4.038 -8.035 167 HA2 GLY 22 2HA GLY 22 -5.401 6.276 -8.496 168 HA3 GLY 22 3HA GLY 22 -6.985 5.839 -9.104 169 H ALA 23 H ALA 23 -7.377 7.977 -7.943 170 HA ALA 23 HA ALA 23 -7.542 7.888 -5.065 171 HB1 ALA 23 3HB ALA 23 -8.508 10.114 -5.232 172 HB2 ALA 23 1HB ALA 23 -8.672 9.932 -6.980 173 HB3 ALA 23 2HB ALA 23 -7.069 9.986 -6.244 174 H ILE 24 H ILE 24 -8.887 6.004 -4.825 175 HA ILE 24 HA ILE 24 -11.744 6.423 -5.437 176 HB ILE 24 HB ILE 24 -12.032 4.000 -5.036 177 HG12 ILE 24 2HG1 ILE 24 -9.008 3.970 -4.778 178 HG13 ILE 24 3HG1 ILE 24 -10.148 3.670 -3.471 179 HG21 ILE 24 1HG2 ILE 24 -11.647 4.823 -7.304 180 HG22 ILE 24 2HG2 ILE 24 -10.928 3.227 -7.086 181 HG23 ILE 24 3HG2 ILE 24 -9.905 4.663 -7.079 182 HD11 ILE 24 3HD1 ILE 24 -9.808 1.973 -5.934 183 HD12 ILE 24 1HD1 ILE 24 -10.937 1.667 -4.613 184 HD13 ILE 24 2HD1 ILE 24 -9.197 1.605 -4.321 185 HA PRO 25 HA PRO 25 -12.811 7.031 -1.158 186 HB2 PRO 25 2HB PRO 25 -15.149 5.256 -1.620 187 HB3 PRO 25 3HB PRO 25 -15.100 6.939 -1.082 188 HG2 PRO 25 2HG PRO 25 -15.887 6.310 -3.559 189 HG3 PRO 25 3HG PRO 25 -14.923 7.765 -3.243 190 HD2 PRO 25 2HD PRO 25 -14.055 5.120 -4.361 191 HD3 PRO 25 3HD PRO 25 -13.570 6.761 -4.845 192 H ARG 26 H ARG 26 -13.112 5.940 0.890 193 HA ARG 26 HA ARG 26 -11.459 3.751 1.329 194 HB2 ARG 26 2HB ARG 26 -12.287 5.384 3.061 195 HB3 ARG 26 3HB ARG 26 -13.821 4.523 3.063 196 HG2 ARG 26 2HG ARG 26 -12.520 2.448 3.695 197 HG3 ARG 26 3HG ARG 26 -11.126 3.501 3.944 198 HD2 ARG 26 2HD ARG 26 -12.187 3.143 6.066 199 HD3 ARG 26 3HD ARG 26 -12.493 4.811 5.578 200 HE ARG 26 HE ARG 26 -14.659 3.439 4.660 201 HH11 ARG 26 1HH1 ARG 26 -13.195 3.794 7.768 202 HH12 ARG 26 2HH1 ARG 26 -14.686 3.533 8.603 203 HH21 ARG 26 1HH2 ARG 26 -16.537 3.103 5.746 204 HH22 ARG 26 2HH2 ARG 26 -16.556 3.158 7.475 205 H ILE 27 H ILE 27 -14.956 3.820 0.782 206 HA ILE 27 HA ILE 27 -15.628 1.181 1.328 207 HB ILE 27 HB ILE 27 -16.746 2.881 -0.919 208 HG12 ILE 27 2HG1 ILE 27 -17.644 2.663 1.973 209 HG13 ILE 27 3HG1 ILE 27 -16.822 4.046 1.259 210 HG21 ILE 27 1HG2 ILE 27 -17.387 0.523 -1.089 211 HG22 ILE 27 2HG2 ILE 27 -18.771 1.530 -0.672 212 HG23 ILE 27 3HG2 ILE 27 -17.984 0.559 0.572 213 HD11 ILE 27 3HD1 ILE 27 -19.552 3.024 0.503 214 HD12 ILE 27 1HD1 ILE 27 -18.731 4.400 -0.232 215 HD13 ILE 27 2HD1 ILE 27 -19.199 4.457 1.466 216 H GLU 28 H GLU 28 -14.774 2.514 -1.890 217 HA GLU 28 HA GLU 28 -14.742 0.110 -3.294 218 HB2 GLU 28 2HB GLU 28 -13.165 2.649 -3.752 219 HB3 GLU 28 3HB GLU 28 -13.246 1.327 -4.911 220 HG2 GLU 28 2HG GLU 28 -15.622 2.886 -3.901 221 HG3 GLU 28 3HG GLU 28 -14.794 3.179 -5.431 222 H ALA 29 H ALA 29 -12.268 1.534 -1.261 223 HA ALA 29 HA ALA 29 -10.134 -0.163 -2.091 224 HB1 ALA 29 3HB ALA 29 -9.750 1.985 -0.988 225 HB2 ALA 29 1HB ALA 29 -8.959 0.667 -0.127 226 HB3 ALA 29 2HB ALA 29 -10.459 1.354 0.498 227 H GLN 30 H GLN 30 -12.620 -0.475 0.414 228 HA GLN 30 HA GLN 30 -11.351 -2.849 1.539 229 HB2 GLN 30 2HB GLN 30 -13.184 -2.846 3.164 230 HB3 GLN 30 3HB GLN 30 -12.395 -1.277 3.078 231 HG2 GLN 30 2HG GLN 30 -14.222 -0.379 1.780 232 HG3 GLN 30 3HG GLN 30 -14.983 -1.967 1.696 233 HE21 GLN 30 1HE2 GLN 30 -16.013 -2.786 3.503 234 HE22 GLN 30 2HE2 GLN 30 -16.435 -1.793 4.851 235 H GLU 31 H GLU 31 -14.055 -2.107 -0.584 236 HA GLU 31 HA GLU 31 -15.551 -4.453 -0.273 237 HB2 GLU 31 2HB GLU 31 -15.298 -2.637 -2.675 238 HB3 GLU 31 3HB GLU 31 -16.507 -3.904 -2.522 239 HG2 GLU 31 2HG GLU 31 -16.220 -1.498 -0.730 240 HG3 GLU 31 3HG GLU 31 -17.435 -1.723 -1.983 241 H LEU 32 H LEU 32 -12.886 -3.796 -2.544 242 HA LEU 32 HA LEU 32 -13.262 -6.214 -4.013 243 HB2 LEU 32 2HB LEU 32 -11.198 -5.644 -5.155 244 HB3 LEU 32 3HB LEU 32 -12.244 -4.248 -5.023 245 HG LEU 32 HG LEU 32 -10.744 -3.726 -2.896 246 HD11 LEU 32 1HD1 LEU 32 -9.440 -5.782 -2.993 247 HD12 LEU 32 2HD1 LEU 32 -8.414 -4.373 -3.240 248 HD13 LEU 32 3HD1 LEU 32 -8.885 -5.371 -4.615 249 HD21 LEU 32 3HD2 LEU 32 -9.316 -2.338 -4.323 250 HD22 LEU 32 1HD2 LEU 32 -11.001 -2.268 -4.832 251 HD23 LEU 32 2HD2 LEU 32 -9.845 -3.243 -5.743 252 H LEU 33 H LEU 33 -11.583 -5.467 -1.097 253 HA LEU 33 HA LEU 33 -9.676 -7.570 -1.088 254 HB2 LEU 33 2HB LEU 33 -10.976 -6.188 1.269 255 HB3 LEU 33 3HB LEU 33 -9.483 -7.107 1.302 256 HG LEU 33 HG LEU 33 -9.889 -4.527 -0.230 257 HD11 LEU 33 1HD1 LEU 33 -8.441 -3.518 1.463 258 HD12 LEU 33 2HD1 LEU 33 -8.426 -5.039 2.360 259 HD13 LEU 33 3HD1 LEU 33 -9.932 -4.140 2.169 260 HD21 LEU 33 3HD2 LEU 33 -7.401 -6.171 0.259 261 HD22 LEU 33 1HD2 LEU 33 -7.446 -4.587 -0.515 262 HD23 LEU 33 2HD2 LEU 33 -8.234 -5.965 -1.283 263 H LYS 34 H LYS 34 -10.190 -9.693 -1.167 264 HA LYS 34 HA LYS 34 -12.701 -10.571 0.138 265 HB2 LYS 34 2HB LYS 34 -12.894 -12.273 -1.639 266 HB3 LYS 34 3HB LYS 34 -12.909 -10.635 -2.277 267 HG2 LYS 34 2HG LYS 34 -10.414 -10.959 -2.722 268 HG3 LYS 34 3HG LYS 34 -10.703 -12.671 -2.410 269 HD2 LYS 34 2HD LYS 34 -10.910 -12.532 -4.723 270 HD3 LYS 34 3HD LYS 34 -12.584 -12.442 -4.181 271 HE2 LYS 34 2HE LYS 34 -10.848 -10.080 -4.920 272 HE3 LYS 34 3HE LYS 34 -12.073 -10.807 -5.954 273 HZ1 LYS 34 3HZ LYS 34 -12.852 -8.805 -4.819 274 HZ2 LYS 34 1HZ LYS 34 -12.609 -9.539 -3.319 275 HZ3 LYS 34 2HZ LYS 34 -13.767 -10.155 -4.385 276 H LYS 35 H LYS 35 -9.304 -11.199 -0.238 277 HA LYS 35 HA LYS 35 -9.481 -13.263 1.842 278 HB2 LYS 35 2HB LYS 35 -7.608 -14.499 0.505 279 HB3 LYS 35 3HB LYS 35 -9.290 -14.732 0.047 280 HG2 LYS 35 2HG LYS 35 -9.085 -13.319 -1.835 281 HG3 LYS 35 3HG LYS 35 -7.535 -12.685 -1.284 282 HD2 LYS 35 2HD LYS 35 -7.954 -15.583 -1.996 283 HD3 LYS 35 3HD LYS 35 -7.444 -14.369 -3.170 284 HE2 LYS 35 2HE LYS 35 -5.987 -15.046 -0.612 285 HE3 LYS 35 3HE LYS 35 -5.539 -15.608 -2.223 286 HZ1 LYS 35 3HZ LYS 35 -5.659 -12.755 -1.385 287 HZ2 LYS 35 1HZ LYS 35 -5.174 -13.336 -2.898 288 HZ3 LYS 35 2HZ LYS 35 -4.244 -13.675 -1.531 289 H GLN 36 H GLN 36 -7.296 -13.711 2.849 290 HA GLN 36 HA GLN 36 -6.106 -11.265 3.586 291 HB2 GLN 36 2HB GLN 36 -6.122 -13.226 5.071 292 HB3 GLN 36 3HB GLN 36 -5.008 -14.057 3.991 293 HG2 GLN 36 2HG GLN 36 -3.274 -12.444 4.446 294 HG3 GLN 36 3HG GLN 36 -4.385 -11.460 5.392 295 HE21 GLN 36 1HE2 GLN 36 -3.069 -11.565 7.216 296 HE22 GLN 36 2HE2 GLN 36 -2.924 -13.005 8.159 297 H GLY 37 H GLY 37 -4.190 -10.291 3.077 298 HA2 GLY 37 2HA GLY 37 -2.044 -10.199 2.015 299 HA3 GLY 37 3HA GLY 37 -2.580 -11.433 0.885 300 H ASP 38 H ASP 38 -5.125 -10.218 0.298 301 HA ASP 38 HA ASP 38 -4.541 -8.745 -1.952 302 HB2 ASP 38 2HB ASP 38 -7.037 -8.517 -0.248 303 HB3 ASP 38 3HB ASP 38 -6.894 -8.029 -1.931 304 H PHE 39 H PHE 39 -3.629 -6.782 -2.205 305 HA PHE 39 HA PHE 39 -4.384 -4.630 -0.364 306 HB2 PHE 39 2HB PHE 39 -2.100 -3.874 -0.074 307 HB3 PHE 39 3HB PHE 39 -2.236 -5.543 0.453 308 HD1 PHE 39 HD1 PHE 39 -1.172 -7.347 -0.822 309 HD2 PHE 39 HD2 PHE 39 -0.751 -3.269 -1.984 310 HE1 PHE 39 HE1 PHE 39 0.733 -7.955 -2.250 311 HE2 PHE 39 HE2 PHE 39 1.154 -3.877 -3.421 312 HZ PHE 39 HZ PHE 39 1.900 -6.221 -3.552 313 H LEU 40 H LEU 40 -4.226 -2.540 -1.170 314 HA LEU 40 HA LEU 40 -3.238 -2.096 -3.877 315 HB2 LEU 40 2HB LEU 40 -5.237 -1.068 -4.703 316 HB3 LEU 40 3HB LEU 40 -5.649 -2.678 -4.141 317 HG LEU 40 HG LEU 40 -6.074 -0.286 -2.360 318 HD11 LEU 40 1HD1 LEU 40 -8.367 -0.114 -3.192 319 HD12 LEU 40 2HD1 LEU 40 -8.005 -1.298 -4.448 320 HD13 LEU 40 3HD1 LEU 40 -7.188 0.266 -4.447 321 HD21 LEU 40 3HD2 LEU 40 -6.244 -2.517 -1.364 322 HD22 LEU 40 1HD2 LEU 40 -7.462 -2.962 -2.561 323 HD23 LEU 40 2HD2 LEU 40 -7.803 -1.699 -1.378 324 H VAL 41 H VAL 41 -2.850 0.129 -4.351 325 HA VAL 41 HA VAL 41 -2.835 1.893 -1.983 326 HB VAL 41 HB VAL 41 -1.115 2.029 -4.473 327 HG11 VAL 41 1HG1 VAL 41 -1.594 4.278 -3.679 328 HG12 VAL 41 2HG1 VAL 41 0.080 3.858 -3.312 329 HG13 VAL 41 3HG1 VAL 41 -1.141 3.821 -2.037 330 HG21 VAL 41 3HG2 VAL 41 -0.487 0.225 -2.941 331 HG22 VAL 41 1HG2 VAL 41 -0.402 1.377 -1.607 332 HG23 VAL 41 2HG2 VAL 41 0.732 1.499 -2.954 333 H ARG 42 H ARG 42 -4.028 3.681 -1.979 334 HA ARG 42 HA ARG 42 -5.130 4.694 -4.531 335 HB2 ARG 42 2HB ARG 42 -7.258 5.112 -3.466 336 HB3 ARG 42 3HB ARG 42 -6.836 3.423 -3.214 337 HG2 ARG 42 2HG ARG 42 -6.169 3.873 -0.938 338 HG3 ARG 42 3HG ARG 42 -6.408 5.603 -1.171 339 HD2 ARG 42 2HD ARG 42 -8.831 5.072 -1.679 340 HD3 ARG 42 3HD ARG 42 -8.500 3.435 -1.113 341 HE ARG 42 HE ARG 42 -8.057 4.342 1.067 342 HH11 ARG 42 1HH1 ARG 42 -9.477 6.546 -1.171 343 HH12 ARG 42 2HH1 ARG 42 -10.022 7.621 0.067 344 HH21 ARG 42 1HH2 ARG 42 -8.795 5.731 2.652 345 HH22 ARG 42 2HH2 ARG 42 -9.664 7.152 2.195 346 H GLU 43 H GLU 43 -5.564 6.985 -4.571 347 HA GLU 43 HA GLU 43 -4.007 8.528 -2.627 348 HB2 GLU 43 2HB GLU 43 -3.628 9.070 -4.973 349 HB3 GLU 43 3HB GLU 43 -5.346 9.358 -5.220 350 HG2 GLU 43 2HG GLU 43 -5.265 11.280 -3.731 351 HG3 GLU 43 3HG GLU 43 -3.563 10.973 -3.397 352 H SER 44 H SER 44 -4.910 9.922 -1.149 353 HA SER 44 HA SER 44 -7.649 9.636 -0.451 354 HB2 SER 44 2HB SER 44 -5.690 11.795 0.393 355 HB3 SER 44 3HB SER 44 -7.219 11.421 1.191 356 HG SER 44 HG SER 44 -4.788 10.105 1.286 357 H HIS 45 H HIS 45 -9.359 10.506 -1.463 358 HA HIS 45 HA HIS 45 -9.086 12.116 -3.736 359 HB2 HIS 45 2HB HIS 45 -10.989 10.537 -3.135 360 HB3 HIS 45 3HB HIS 45 -11.642 11.837 -2.146 361 HD1 HIS 45 HD1 HIS 45 -12.894 13.697 -3.350 362 HD2 HIS 45 HD2 HIS 45 -11.020 11.041 -5.938 363 HE1 HIS 45 HE1 HIS 45 -13.773 14.246 -5.633 364 HE2 HIS 45 HE2 HIS 45 -12.471 12.769 -7.193 365 H GLY 46 H GLY 46 -9.802 13.036 -0.403 366 HA2 GLY 46 2HA GLY 46 -10.132 15.848 -1.187 367 HA3 GLY 46 3HA GLY 46 -10.433 15.174 0.405 368 H LYS 47 H LYS 47 -7.544 13.919 -0.538 369 HA LYS 47 HA LYS 47 -5.965 16.170 0.538 370 HB2 LYS 47 2HB LYS 47 -6.385 14.498 2.311 371 HB3 LYS 47 3HB LYS 47 -5.673 13.255 1.299 372 HG2 LYS 47 2HG LYS 47 -4.070 13.906 2.942 373 HG3 LYS 47 3HG LYS 47 -3.521 14.486 1.369 374 HD2 LYS 47 2HD LYS 47 -4.229 16.729 1.880 375 HD3 LYS 47 3HD LYS 47 -5.008 16.194 3.371 376 HE2 LYS 47 2HE LYS 47 -2.046 16.090 2.783 377 HE3 LYS 47 3HE LYS 47 -2.853 17.263 3.824 378 HZ1 LYS 47 3HZ LYS 47 -3.491 15.500 5.308 379 HZ2 LYS 47 1HZ LYS 47 -1.820 15.447 5.072 380 HZ3 LYS 47 2HZ LYS 47 -2.819 14.329 4.292 381 HA PRO 48 HA PRO 48 -4.403 14.798 -3.589 382 HB2 PRO 48 2HB PRO 48 -3.307 17.217 -4.249 383 HB3 PRO 48 3HB PRO 48 -5.012 16.817 -4.482 384 HG2 PRO 48 2HG PRO 48 -3.718 18.337 -2.235 385 HG3 PRO 48 3HG PRO 48 -5.200 18.719 -3.139 386 HD2 PRO 48 2HD PRO 48 -5.304 17.578 -0.713 387 HD3 PRO 48 3HD PRO 48 -6.461 17.142 -1.989 388 H GLY 49 H GLY 49 -2.559 13.698 -3.803 389 HA2 GLY 49 2HA GLY 49 -0.216 13.522 -4.000 390 HA3 GLY 49 3HA GLY 49 -0.032 14.905 -2.938 391 H GLU 50 H GLU 50 -2.195 13.090 -1.305 392 HA GLU 50 HA GLU 50 -0.070 11.559 0.066 393 HB2 GLU 50 2HB GLU 50 -1.034 13.326 1.459 394 HB3 GLU 50 3HB GLU 50 -2.641 12.648 1.229 395 HG2 GLU 50 2HG GLU 50 -2.164 10.765 2.540 396 HG3 GLU 50 3HG GLU 50 -0.423 11.024 2.442 397 H TYR 51 H TYR 51 -0.141 9.456 -0.172 398 HA TYR 51 HA TYR 51 -2.612 8.201 -1.150 399 HB2 TYR 51 2HB TYR 51 0.290 7.375 -1.384 400 HB3 TYR 51 3HB TYR 51 -1.054 6.373 -1.923 401 HD1 TYR 51 HD2 TYR 51 0.311 9.837 -2.374 402 HD2 TYR 51 HD1 TYR 51 -1.752 6.557 -4.133 403 HE1 TYR 51 HE2 TYR 51 0.278 11.020 -4.531 404 HE2 TYR 51 HE1 TYR 51 -1.787 7.731 -6.291 405 HH TYR 51 HH TYR 51 -1.700 10.162 -7.060 406 H VAL 52 H VAL 52 -3.439 6.331 -0.243 407 HA VAL 52 HA VAL 52 -2.292 5.499 2.350 408 HB VAL 52 HB VAL 52 -5.228 5.542 1.592 409 HG11 VAL 52 1HG1 VAL 52 -3.885 4.839 4.208 410 HG12 VAL 52 2HG1 VAL 52 -4.703 3.718 3.121 411 HG13 VAL 52 3HG1 VAL 52 -5.625 4.969 3.952 412 HG21 VAL 52 3HG2 VAL 52 -5.425 7.335 3.281 413 HG22 VAL 52 1HG2 VAL 52 -4.396 7.804 1.929 414 HG23 VAL 52 2HG2 VAL 52 -3.672 7.336 3.468 415 H LEU 53 H LEU 53 -1.921 3.384 2.649 416 HA LEU 53 HA LEU 53 -2.426 1.507 0.487 417 HB2 LEU 53 2HB LEU 53 -0.241 1.537 1.608 418 HB3 LEU 53 3HB LEU 53 -1.009 1.175 3.143 419 HG LEU 53 HG LEU 53 -1.755 -1.021 2.180 420 HD11 LEU 53 1HD1 LEU 53 -0.662 -1.843 0.153 421 HD12 LEU 53 2HD1 LEU 53 0.076 -0.260 -0.097 422 HD13 LEU 53 3HD1 LEU 53 -1.678 -0.441 -0.186 423 HD21 LEU 53 3HD2 LEU 53 0.426 -2.096 2.370 424 HD22 LEU 53 1HD2 LEU 53 0.226 -0.855 3.605 425 HD23 LEU 53 2HD2 LEU 53 1.226 -0.535 2.186 426 H SER 54 H SER 54 -3.895 -0.117 0.515 427 HA SER 54 HA SER 54 -5.447 -0.573 2.991 428 HB2 SER 54 2HB SER 54 -6.764 0.717 1.314 429 HB3 SER 54 3HB SER 54 -6.557 -0.605 0.166 430 HG SER 54 HG SER 54 -8.168 -1.563 1.087 431 H VAL 55 H VAL 55 -4.756 -2.519 3.689 432 HA VAL 55 HA VAL 55 -4.663 -4.743 1.744 433 HB VAL 55 HB VAL 55 -2.377 -4.187 2.294 434 HG11 VAL 55 1HG1 VAL 55 -1.514 -4.238 4.588 435 HG12 VAL 55 2HG1 VAL 55 -3.145 -4.512 5.197 436 HG13 VAL 55 3HG1 VAL 55 -2.750 -2.994 4.389 437 HG21 VAL 55 3HG2 VAL 55 -1.615 -6.326 3.286 438 HG22 VAL 55 1HG2 VAL 55 -2.842 -6.551 2.038 439 HG23 VAL 55 2HG2 VAL 55 -3.281 -6.686 3.741 440 H TYR 56 H TYR 56 -5.606 -6.640 2.339 441 HA TYR 56 HA TYR 56 -7.181 -6.621 4.813 442 HB2 TYR 56 2HB TYR 56 -8.272 -7.077 2.616 443 HB3 TYR 56 3HB TYR 56 -7.300 -8.535 2.466 444 HD1 TYR 56 HD1 TYR 56 -9.776 -6.904 4.727 445 HD2 TYR 56 HD2 TYR 56 -8.146 -10.557 3.284 446 HE1 TYR 56 HE1 TYR 56 -11.515 -8.150 5.934 447 HE2 TYR 56 HE2 TYR 56 -9.878 -11.814 4.488 448 HH TYR 56 HH TYR 56 -12.598 -10.258 5.948 449 H SER 57 H SER 57 -6.325 -7.589 6.572 450 HA SER 57 HA SER 57 -4.969 -10.166 6.285 451 HB2 SER 57 2HB SER 57 -3.146 -8.494 6.171 452 HB3 SER 57 3HB SER 57 -3.658 -7.843 7.730 453 HG SER 57 HG SER 57 -2.936 -9.617 8.740 454 H ASP 58 H ASP 58 -5.174 -11.505 8.052 455 HA ASP 58 HA ASP 58 -5.996 -12.348 9.992 456 HB2 ASP 58 2HB ASP 58 -5.682 -9.477 10.909 457 HB3 ASP 58 3HB ASP 58 -6.077 -10.817 11.982 458 H GLY 59 H GLY 59 -7.838 -11.232 7.920 459 HA2 GLY 59 2HA GLY 59 -10.124 -11.053 7.641 460 HA3 GLY 59 3HA GLY 59 -10.305 -11.459 9.342 461 H GLN 60 H GLN 60 -8.286 -8.783 8.570 462 HA GLN 60 HA GLN 60 -10.431 -6.852 9.200 463 HB2 GLN 60 2HB GLN 60 -7.610 -6.830 10.319 464 HB3 GLN 60 3HB GLN 60 -8.843 -5.616 10.625 465 HG2 GLN 60 2HG GLN 60 -10.190 -7.200 11.835 466 HG3 GLN 60 3HG GLN 60 -9.098 -8.519 11.407 467 HE21 GLN 60 1HE2 GLN 60 -9.550 -5.705 13.400 468 HE22 GLN 60 2HE2 GLN 60 -8.239 -6.020 14.478 469 H ARG 61 H ARG 61 -10.189 -4.763 8.283 470 HA ARG 61 HA ARG 61 -8.427 -4.606 5.969 471 HB2 ARG 61 2HB ARG 61 -10.788 -3.077 6.943 472 HB3 ARG 61 3HB ARG 61 -9.624 -2.187 5.977 473 HG2 ARG 61 2HG ARG 61 -11.253 -2.948 4.471 474 HG3 ARG 61 3HG ARG 61 -9.861 -3.996 4.233 475 HD2 ARG 61 2HD ARG 61 -10.929 -5.749 5.548 476 HD3 ARG 61 3HD ARG 61 -12.306 -4.688 5.868 477 HE ARG 61 HE ARG 61 -11.842 -4.989 3.072 478 HH11 ARG 61 1HH1 ARG 61 -13.195 -6.642 5.777 479 HH12 ARG 61 2HH1 ARG 61 -14.338 -7.505 4.812 480 HH21 ARG 61 1HH2 ARG 61 -13.314 -6.095 1.852 481 HH22 ARG 61 2HH2 ARG 61 -14.411 -7.192 2.614 482 H ARG 62 H ARG 62 -6.351 -4.194 6.510 483 HA ARG 62 HA ARG 62 -5.640 -2.240 8.545 484 HB2 ARG 62 2HB ARG 62 -3.961 -3.939 6.677 485 HB3 ARG 62 3HB ARG 62 -3.294 -2.866 7.897 486 HG2 ARG 62 2HG ARG 62 -5.235 -5.006 8.689 487 HG3 ARG 62 3HG ARG 62 -3.545 -5.411 8.387 488 HD2 ARG 62 2HD ARG 62 -2.792 -3.994 10.134 489 HD3 ARG 62 3HD ARG 62 -4.366 -3.215 10.281 490 HE ARG 62 HE ARG 62 -5.042 -4.912 11.627 491 HH11 ARG 62 1HH1 ARG 62 -2.124 -5.892 10.115 492 HH12 ARG 62 2HH1 ARG 62 -2.043 -7.387 10.969 493 HH21 ARG 62 1HH2 ARG 62 -4.933 -6.828 12.744 494 HH22 ARG 62 2HH2 ARG 62 -3.613 -7.903 12.452 495 H HIS 63 H HIS 63 -5.122 -0.140 8.165 496 HA HIS 63 HA HIS 63 -4.639 0.702 5.372 497 HB2 HIS 63 2HB HIS 63 -6.288 2.184 7.435 498 HB3 HIS 63 3HB HIS 63 -5.915 2.763 5.813 499 HD1 HIS 63 HD1 HIS 63 -6.804 0.966 3.858 500 HD2 HIS 63 HD2 HIS 63 -8.674 0.919 7.570 501 HE1 HIS 63 HE1 HIS 63 -9.025 -0.143 3.478 502 HE2 HIS 63 HE2 HIS 63 -10.099 -0.233 5.748 503 H PHE 64 H PHE 64 -2.752 1.716 5.104 504 HA PHE 64 HA PHE 64 -1.558 3.140 7.405 505 HB2 PHE 64 2HB PHE 64 -0.013 1.571 5.321 506 HB3 PHE 64 3HB PHE 64 0.638 2.342 6.765 507 HD1 PHE 64 HD2 PHE 64 -0.511 1.527 9.030 508 HD2 PHE 64 HD1 PHE 64 -0.403 -0.702 5.398 509 HE1 PHE 64 HE2 PHE 64 -0.875 -0.553 10.292 510 HE2 PHE 64 HE1 PHE 64 -0.770 -2.780 6.659 511 HZ PHE 64 HZ PHE 64 -1.003 -2.706 9.109 512 H ILE 65 H ILE 65 -0.968 5.200 7.027 513 HA ILE 65 HA ILE 65 -1.465 6.307 4.379 514 HB ILE 65 HB ILE 65 -0.774 7.709 6.975 515 HG12 ILE 65 2HG1 ILE 65 -3.455 7.293 5.615 516 HG13 ILE 65 3HG1 ILE 65 -2.917 6.486 7.084 517 HG21 ILE 65 1HG2 ILE 65 -0.201 9.061 5.023 518 HG22 ILE 65 2HG2 ILE 65 -1.594 9.740 5.864 519 HG23 ILE 65 3HG2 ILE 65 -1.824 8.831 4.370 520 HD11 ILE 65 3HD1 ILE 65 -2.841 8.660 8.225 521 HD12 ILE 65 1HD1 ILE 65 -4.449 8.276 7.610 522 HD13 ILE 65 2HD1 ILE 65 -3.433 9.437 6.756 523 H ILE 66 H ILE 66 0.042 7.216 3.037 524 HA ILE 66 HA ILE 66 2.864 6.731 3.660 525 HB ILE 66 HB ILE 66 1.581 7.562 1.042 526 HG12 ILE 66 2HG1 ILE 66 2.536 4.823 1.946 527 HG13 ILE 66 3HG1 ILE 66 0.852 5.317 1.808 528 HG21 ILE 66 1HG2 ILE 66 4.378 6.594 1.656 529 HG22 ILE 66 2HG2 ILE 66 3.915 8.219 1.149 530 HG23 ILE 66 3HG2 ILE 66 3.728 6.863 0.038 531 HD11 ILE 66 3HD1 ILE 66 1.134 5.617 -0.597 532 HD12 ILE 66 1HD1 ILE 66 1.533 3.977 -0.090 533 HD13 ILE 66 2HD1 ILE 66 2.823 5.120 -0.459 534 H GLN 67 H GLN 67 3.890 8.388 4.661 535 HA GLN 67 HA GLN 67 3.192 11.149 4.048 536 HB2 GLN 67 2HB GLN 67 5.168 9.957 6.003 537 HB3 GLN 67 3HB GLN 67 4.968 11.687 5.763 538 HG2 GLN 67 2HG GLN 67 3.722 11.114 7.684 539 HG3 GLN 67 3HG GLN 67 2.553 11.400 6.395 540 HE21 GLN 67 1HE2 GLN 67 0.952 10.156 7.317 541 HE22 GLN 67 2HE2 GLN 67 1.050 8.433 7.410 542 H TYR 68 H TYR 68 4.178 12.355 2.580 543 HA TYR 68 HA TYR 68 6.575 11.421 1.227 544 HB2 TYR 68 2HB TYR 68 4.794 12.397 -0.116 545 HB3 TYR 68 3HB TYR 68 4.847 13.882 0.827 546 HD1 TYR 68 HD1 TYR 68 7.289 11.757 -1.074 547 HD2 TYR 68 HD2 TYR 68 5.844 15.675 -0.245 548 HE1 TYR 68 HE1 TYR 68 8.903 12.686 -2.675 549 HE2 TYR 68 HE2 TYR 68 7.457 16.613 -1.845 550 HH TYR 68 HH TYR 68 9.692 15.927 -2.818 551 H VAL 69 H VAL 69 8.351 11.639 2.516 552 HA VAL 69 HA VAL 69 8.919 14.312 3.654 553 HB VAL 69 HB VAL 69 9.669 11.640 4.874 554 HG11 VAL 69 1HG1 VAL 69 10.378 12.990 6.813 555 HG12 VAL 69 2HG1 VAL 69 10.047 14.460 5.895 556 HG13 VAL 69 3HG1 VAL 69 11.318 13.356 5.366 557 HG21 VAL 69 3HG2 VAL 69 7.266 12.054 5.054 558 HG22 VAL 69 1HG2 VAL 69 7.579 13.645 5.754 559 HG23 VAL 69 2HG2 VAL 69 8.045 12.187 6.631 560 H ASP 70 H ASP 70 10.691 15.226 2.855 561 HA ASP 70 HA ASP 70 12.705 15.574 1.867 562 HB2 ASP 70 2HB ASP 70 13.418 13.011 3.312 563 HB3 ASP 70 3HB ASP 70 14.569 14.186 2.680 564 H ASN 71 H ASN 71 10.995 14.558 0.068 565 HA ASN 71 HA ASN 71 10.889 13.697 -2.024 566 HB2 ASN 71 2HB ASN 71 13.863 13.237 -1.687 567 HB3 ASN 71 3HB ASN 71 12.983 13.103 -3.206 568 HD21 ASN 71 1HD2 ASN 71 15.171 14.858 -2.548 569 HD22 ASN 71 2HD2 ASN 71 14.590 16.468 -2.772 570 H MET 72 H MET 72 11.144 11.885 0.592 571 HA MET 72 HA MET 72 11.096 9.341 -0.912 572 HB2 MET 72 2HB MET 72 12.089 9.792 1.916 573 HB3 MET 72 3HB MET 72 11.968 8.227 1.118 574 HG2 MET 72 2HG MET 72 13.582 9.001 -0.578 575 HG3 MET 72 3HG MET 72 13.740 10.524 0.296 576 HE1 MET 72 3HE MET 72 15.365 9.369 3.667 577 HE2 MET 72 1HE MET 72 13.640 9.551 3.340 578 HE3 MET 72 2HE MET 72 14.787 10.740 2.720 579 H TYR 73 H TYR 73 9.333 8.110 -0.689 580 HA TYR 73 HA TYR 73 7.149 9.021 1.007 581 HB2 TYR 73 2HB TYR 73 7.230 6.728 -0.979 582 HB3 TYR 73 3HB TYR 73 5.790 7.429 -0.249 583 HD1 TYR 73 HD2 TYR 73 4.941 9.606 -0.999 584 HD2 TYR 73 HD1 TYR 73 8.405 7.876 -2.775 585 HE1 TYR 73 HE2 TYR 73 4.781 11.204 -2.863 586 HE2 TYR 73 HE1 TYR 73 8.252 9.468 -4.637 587 HH TYR 73 HH TYR 73 6.384 12.225 -4.563 588 H ARG 74 H ARG 74 6.810 8.205 2.990 589 HA ARG 74 HA ARG 74 7.815 5.507 3.647 590 HB2 ARG 74 2HB ARG 74 8.537 6.467 5.882 591 HB3 ARG 74 3HB ARG 74 9.499 6.965 4.495 592 HG2 ARG 74 2HG ARG 74 8.187 9.075 4.408 593 HG3 ARG 74 3HG ARG 74 7.370 8.581 5.890 594 HD2 ARG 74 2HD ARG 74 10.364 8.857 5.667 595 HD3 ARG 74 3HD ARG 74 9.311 10.178 6.167 596 HE ARG 74 HE ARG 74 9.145 7.692 7.675 597 HH11 ARG 74 1HH1 ARG 74 10.307 10.917 7.476 598 HH12 ARG 74 2HH1 ARG 74 10.560 11.064 9.175 599 HH21 ARG 74 1HH2 ARG 74 9.482 7.874 9.878 600 HH22 ARG 74 2HH2 ARG 74 10.118 9.345 10.522 601 H PHE 75 H PHE 75 6.685 4.370 5.245 602 HA PHE 75 HA PHE 75 3.955 5.247 5.733 603 HB2 PHE 75 2HB PHE 75 5.420 2.666 6.292 604 HB3 PHE 75 3HB PHE 75 3.780 2.958 6.862 605 HD1 PHE 75 HD1 PHE 75 1.978 3.445 5.160 606 HD2 PHE 75 HD2 PHE 75 5.817 1.940 4.080 607 HE1 PHE 75 HE1 PHE 75 1.069 2.676 3.009 608 HE2 PHE 75 HE2 PHE 75 4.906 1.174 1.926 609 HZ PHE 75 HZ PHE 75 2.532 1.540 1.390 610 H GLU 76 H GLU 76 6.761 4.315 7.756 611 HA GLU 76 HA GLU 76 5.837 6.249 9.743 612 HB2 GLU 76 2HB GLU 76 6.123 4.748 11.634 613 HB3 GLU 76 3HB GLU 76 4.926 4.098 10.525 614 HG2 GLU 76 2HG GLU 76 6.409 2.418 9.758 615 HG3 GLU 76 3HG GLU 76 7.796 3.193 10.521 616 H GLY 77 H GLY 77 8.457 3.996 8.829 617 HA2 GLY 77 2HA GLY 77 10.383 6.068 9.729 618 HA3 GLY 77 3HA GLY 77 10.667 4.352 9.973 619 H THR 78 H THR 78 10.976 3.008 8.058 620 HA THR 78 HA THR 78 12.782 4.217 6.213 621 HB THR 78 HB THR 78 11.550 1.449 6.099 622 HG1 THR 78 HG1 THR 78 13.450 2.552 7.729 623 HG21 THR 78 3HG2 THR 78 13.529 0.875 4.747 624 HG22 THR 78 1HG2 THR 78 14.033 2.563 4.781 625 HG23 THR 78 2HG2 THR 78 12.540 2.106 3.961 626 H GLY 79 H GLY 79 12.456 5.029 4.219 627 HA2 GLY 79 2HA GLY 79 9.943 4.384 2.803 628 HA3 GLY 79 3HA GLY 79 10.397 6.062 3.046 629 H PHE 80 H PHE 80 9.941 5.054 0.518 630 HA PHE 80 HA PHE 80 12.655 4.947 -0.659 631 HB2 PHE 80 2HB PHE 80 10.091 3.654 -1.630 632 HB3 PHE 80 3HB PHE 80 11.547 3.774 -2.612 633 HD1 PHE 80 HD1 PHE 80 10.215 2.366 0.560 634 HD2 PHE 80 HD2 PHE 80 13.264 2.186 -2.407 635 HE1 PHE 80 HE1 PHE 80 11.045 0.272 1.546 636 HE2 PHE 80 HE2 PHE 80 14.100 0.092 -1.424 637 HZ PHE 80 HZ PHE 80 12.990 -0.867 0.555 638 H SER 81 H SER 81 13.069 6.206 -2.497 639 HA SER 81 HA SER 81 11.810 8.720 -2.571 640 HB2 SER 81 2HB SER 81 13.631 7.450 -4.629 641 HB3 SER 81 3HB SER 81 13.211 9.161 -4.566 642 HG SER 81 HG SER 81 14.748 9.384 -3.168 643 H ASN 82 H ASN 82 10.927 5.816 -4.175 644 HA ASN 82 HA ASN 82 9.030 7.306 -5.890 645 HB2 ASN 82 2HB ASN 82 10.412 4.669 -6.473 646 HB3 ASN 82 3HB ASN 82 9.118 5.350 -7.452 647 HD21 ASN 82 1HD2 ASN 82 12.463 5.633 -6.538 648 HD22 ASN 82 2HD2 ASN 82 12.899 6.743 -7.784 649 H ILE 83 H ILE 83 6.885 6.812 -5.635 650 HA ILE 83 HA ILE 83 5.952 5.214 -3.535 651 HB ILE 83 HB ILE 83 4.415 5.973 -6.036 652 HG12 ILE 83 2HG1 ILE 83 4.610 7.355 -3.343 653 HG13 ILE 83 3HG1 ILE 83 5.291 7.940 -4.858 654 HG21 ILE 83 1HG2 ILE 83 3.337 4.141 -4.832 655 HG22 ILE 83 2HG2 ILE 83 2.401 5.626 -4.664 656 HG23 ILE 83 3HG2 ILE 83 3.409 5.065 -3.329 657 HD11 ILE 83 3HD1 ILE 83 2.356 7.586 -4.271 658 HD12 ILE 83 1HD1 ILE 83 3.048 8.198 -5.774 659 HD13 ILE 83 2HD1 ILE 83 3.240 9.112 -4.279 660 HA PRO 84 HA PRO 84 5.147 1.718 -6.998 661 HB2 PRO 84 2HB PRO 84 7.331 1.808 -8.772 662 HB3 PRO 84 3HB PRO 84 5.656 2.217 -9.150 663 HG2 PRO 84 2HG PRO 84 7.934 4.010 -8.438 664 HG3 PRO 84 3HG PRO 84 6.606 4.278 -9.583 665 HD2 PRO 84 2HD PRO 84 6.620 5.476 -7.192 666 HD3 PRO 84 3HD PRO 84 5.104 4.864 -7.893 667 H GLN 85 H GLN 85 8.542 2.781 -6.489 668 HA GLN 85 HA GLN 85 9.535 0.180 -5.975 669 HB2 GLN 85 2HB GLN 85 10.624 2.946 -5.562 670 HB3 GLN 85 3HB GLN 85 11.477 1.567 -4.880 671 HG2 GLN 85 2HG GLN 85 10.761 1.851 -7.798 672 HG3 GLN 85 3HG GLN 85 12.324 2.274 -7.099 673 HE21 GLN 85 1HE2 GLN 85 10.175 -0.356 -7.919 674 HE22 GLN 85 2HE2 GLN 85 11.342 -1.616 -7.751 675 H LEU 86 H LEU 86 8.211 2.632 -3.811 676 HA LEU 86 HA LEU 86 8.950 1.597 -1.342 677 HB2 LEU 86 2HB LEU 86 7.768 3.707 -1.581 678 HB3 LEU 86 3HB LEU 86 6.346 2.881 -2.187 679 HG LEU 86 HG LEU 86 6.048 1.807 0.033 680 HD11 LEU 86 1HD1 LEU 86 8.356 1.816 0.804 681 HD12 LEU 86 2HD1 LEU 86 7.315 2.641 1.961 682 HD13 LEU 86 3HD1 LEU 86 8.345 3.578 0.877 683 HD21 LEU 86 3HD2 LEU 86 4.861 3.876 -0.521 684 HD22 LEU 86 1HD2 LEU 86 6.206 4.824 0.112 685 HD23 LEU 86 2HD2 LEU 86 5.258 3.805 1.195 686 H ILE 87 H ILE 87 5.953 0.852 -3.131 687 HA ILE 87 HA ILE 87 5.239 -1.349 -1.444 688 HB ILE 87 HB ILE 87 4.206 -0.545 -4.174 689 HG12 ILE 87 2HG1 ILE 87 3.829 1.164 -2.452 690 HG13 ILE 87 3HG1 ILE 87 2.309 0.412 -2.922 691 HG21 ILE 87 1HG2 ILE 87 3.754 -2.904 -3.760 692 HG22 ILE 87 2HG2 ILE 87 2.265 -1.963 -3.692 693 HG23 ILE 87 3HG2 ILE 87 3.033 -2.507 -2.200 694 HD11 ILE 87 3HD1 ILE 87 2.396 0.750 -0.532 695 HD12 ILE 87 1HD1 ILE 87 3.891 -0.179 -0.429 696 HD13 ILE 87 2HD1 ILE 87 2.389 -0.974 -0.899 697 H ASP 88 H ASP 88 6.545 -1.124 -4.747 698 HA ASP 88 HA ASP 88 6.628 -3.795 -5.449 699 HB2 ASP 88 2HB ASP 88 7.100 -1.961 -7.004 700 HB3 ASP 88 3HB ASP 88 8.597 -1.601 -6.155 701 H HIS 89 H HIS 89 9.263 -1.924 -3.905 702 HA HIS 89 HA HIS 89 10.950 -4.218 -3.690 703 HB2 HIS 89 2HB HIS 89 11.636 -1.721 -3.806 704 HB3 HIS 89 3HB HIS 89 11.358 -1.716 -2.067 705 HD1 HIS 89 HD1 HIS 89 13.528 -3.362 -4.682 706 HD2 HIS 89 HD2 HIS 89 13.407 -2.816 -0.560 707 HE1 HIS 89 HE1 HIS 89 15.738 -4.194 -3.823 708 HE2 HIS 89 HE2 HIS 89 15.617 -3.920 -1.330 709 H HIS 90 H HIS 90 8.588 -2.721 -1.522 710 HA HIS 90 HA HIS 90 9.223 -4.284 0.766 711 HB2 HIS 90 2HB HIS 90 6.915 -2.685 -0.137 712 HB3 HIS 90 3HB HIS 90 6.484 -4.029 0.911 713 HD1 HIS 90 HD1 HIS 90 7.914 -0.640 0.964 714 HD2 HIS 90 HD2 HIS 90 7.696 -3.915 3.517 715 HE1 HIS 90 HE1 HIS 90 8.477 0.246 3.250 716 HE2 HIS 90 HE2 HIS 90 8.163 -1.722 4.798 717 H TYR 91 H TYR 91 7.164 -4.921 -2.037 718 HA TYR 91 HA TYR 91 6.173 -7.441 -1.219 719 HB2 TYR 91 2HB TYR 91 5.122 -6.110 -2.986 720 HB3 TYR 91 3HB TYR 91 6.556 -6.272 -3.992 721 HD1 TYR 91 HD1 TYR 91 3.676 -8.105 -2.556 722 HD2 TYR 91 HD2 TYR 91 6.907 -8.225 -5.327 723 HE1 TYR 91 HE1 TYR 91 2.721 -10.125 -3.581 724 HE2 TYR 91 HE2 TYR 91 5.959 -10.245 -6.356 725 HH TYR 91 HH TYR 91 4.449 -12.084 -5.760 726 H THR 92 H THR 92 8.951 -6.541 -3.268 727 HA THR 92 HA THR 92 9.789 -9.161 -3.907 728 HB THR 92 HB THR 92 11.958 -8.177 -4.510 729 HG1 THR 92 HG1 THR 92 12.608 -6.422 -3.538 730 HG21 THR 92 3HG2 THR 92 10.113 -7.926 -6.099 731 HG22 THR 92 1HG2 THR 92 11.176 -6.520 -6.150 732 HG23 THR 92 2HG2 THR 92 9.625 -6.424 -5.314 733 H THR 93 H THR 93 10.767 -6.997 -1.257 734 HA THR 93 HA THR 93 12.612 -8.899 -0.127 735 HB THR 93 HB THR 93 12.744 -7.380 1.809 736 HG1 THR 93 HG1 THR 93 10.895 -5.685 0.477 737 HG21 THR 93 3HG2 THR 93 14.127 -6.878 -0.144 738 HG22 THR 93 1HG2 THR 93 13.596 -5.389 0.638 739 HG23 THR 93 2HG2 THR 93 12.815 -5.932 -0.847 740 H LYS 94 H LYS 94 9.230 -8.541 -0.014 741 HA LYS 94 HA LYS 94 7.543 -9.468 1.189 742 HB2 LYS 94 2HB LYS 94 8.987 -11.518 0.533 743 HB3 LYS 94 3HB LYS 94 9.525 -11.510 2.206 744 HG2 LYS 94 2HG LYS 94 7.752 -13.099 1.991 745 HG3 LYS 94 3HG LYS 94 7.143 -11.723 2.912 746 HD2 LYS 94 2HD LYS 94 6.069 -10.844 0.879 747 HD3 LYS 94 3HD LYS 94 6.677 -12.225 -0.036 748 HE2 LYS 94 2HE LYS 94 4.743 -12.330 2.286 749 HE3 LYS 94 3HE LYS 94 4.339 -12.557 0.585 750 HZ1 LYS 94 3HZ LYS 94 4.533 -14.678 1.684 751 HZ2 LYS 94 1HZ LYS 94 6.097 -14.311 2.216 752 HZ3 LYS 94 2HZ LYS 94 5.792 -14.515 0.567 753 H GLN 95 H GLN 95 9.043 -7.368 2.393 754 HA GLN 95 HA GLN 95 9.275 -8.079 5.229 755 HB2 GLN 95 2HB GLN 95 10.724 -6.346 3.506 756 HB3 GLN 95 3HB GLN 95 9.943 -5.323 4.703 757 HG2 GLN 95 2HG GLN 95 11.674 -7.708 5.344 758 HG3 GLN 95 3HG GLN 95 12.226 -6.034 5.337 759 HE21 GLN 95 1HE2 GLN 95 11.594 -4.665 7.005 760 HE22 GLN 95 2HE2 GLN 95 10.882 -5.257 8.460 761 H VAL 96 H VAL 96 8.478 -6.501 6.849 762 HA VAL 96 HA VAL 96 5.687 -6.119 6.558 763 HB VAL 96 HB VAL 96 5.742 -5.124 8.785 764 HG11 VAL 96 1HG1 VAL 96 6.770 -6.994 10.013 765 HG12 VAL 96 2HG1 VAL 96 7.585 -7.508 8.536 766 HG13 VAL 96 3HG1 VAL 96 5.825 -7.551 8.632 767 HG21 VAL 96 3HG2 VAL 96 7.881 -4.794 9.976 768 HG22 VAL 96 1HG2 VAL 96 7.734 -3.734 8.573 769 HG23 VAL 96 2HG2 VAL 96 8.755 -5.169 8.489 770 H ILE 97 H ILE 97 4.440 -4.240 6.508 771 HA ILE 97 HA ILE 97 5.550 -1.948 5.173 772 HB ILE 97 HB ILE 97 2.793 -2.520 6.277 773 HG12 ILE 97 2HG1 ILE 97 3.463 -3.852 4.322 774 HG13 ILE 97 3HG1 ILE 97 2.168 -2.730 3.916 775 HG21 ILE 97 1HG2 ILE 97 3.697 -0.115 4.688 776 HG22 ILE 97 2HG2 ILE 97 3.134 -0.120 6.358 777 HG23 ILE 97 3HG2 ILE 97 2.022 -0.527 5.051 778 HD11 ILE 97 3HD1 ILE 97 3.829 -2.829 2.155 779 HD12 ILE 97 1HD1 ILE 97 5.093 -2.360 3.289 780 HD13 ILE 97 2HD1 ILE 97 3.801 -1.228 2.888 781 H THR 98 H THR 98 3.675 -2.140 8.211 782 HA THR 98 HA THR 98 5.496 -0.133 9.391 783 HB THR 98 HB THR 98 3.615 0.587 10.846 784 HG1 THR 98 HG1 THR 98 1.476 -0.082 10.169 785 HG21 THR 98 3HG2 THR 98 4.104 1.844 8.793 786 HG22 THR 98 1HG2 THR 98 2.380 1.860 9.164 787 HG23 THR 98 2HG2 THR 98 2.999 0.805 7.894 788 H LYS 99 H LYS 99 6.392 -0.610 11.328 789 HA LYS 99 HA LYS 99 6.429 -3.284 12.250 790 HB2 LYS 99 2HB LYS 99 7.434 -0.698 13.434 791 HB3 LYS 99 3HB LYS 99 7.691 -2.255 14.210 792 HG2 LYS 99 2HG LYS 99 8.582 -1.660 11.395 793 HG3 LYS 99 3HG LYS 99 9.599 -1.391 12.813 794 HD2 LYS 99 2HD LYS 99 9.422 -3.767 13.397 795 HD3 LYS 99 3HD LYS 99 8.386 -4.040 11.995 796 HE2 LYS 99 2HE LYS 99 10.176 -3.515 10.489 797 HE3 LYS 99 3HE LYS 99 11.210 -2.986 11.817 798 HZ1 LYS 99 3HZ LYS 99 10.223 -5.760 11.414 799 HZ2 LYS 99 1HZ LYS 99 11.257 -5.240 12.646 800 HZ3 LYS 99 2HZ LYS 99 11.780 -5.208 11.040 801 H LYS 100 H LYS 100 4.424 -0.578 13.086 802 HA LYS 100 HA LYS 100 3.619 -1.405 15.668 803 HB2 LYS 100 2HB LYS 100 1.723 0.171 15.347 804 HB3 LYS 100 3HB LYS 100 3.298 0.868 14.995 805 HG2 LYS 100 2HG LYS 100 2.875 0.522 12.578 806 HG3 LYS 100 3HG LYS 100 1.260 -0.074 12.978 807 HD2 LYS 100 2HD LYS 100 1.199 2.290 12.318 808 HD3 LYS 100 3HD LYS 100 0.702 2.082 13.998 809 HE2 LYS 100 2HE LYS 100 3.036 2.674 14.683 810 HE3 LYS 100 3HE LYS 100 3.384 3.044 12.995 811 HZ1 LYS 100 3HZ LYS 100 1.301 4.362 14.643 812 HZ2 LYS 100 1HZ LYS 100 1.687 4.744 13.042 813 HZ3 LYS 100 2HZ LYS 100 2.813 5.019 14.276 814 H SER 101 H SER 101 2.553 -2.477 12.506 815 HA SER 101 HA SER 101 0.543 -4.180 13.869 816 HB2 SER 101 2HB SER 101 -0.614 -2.593 12.415 817 HB3 SER 101 3HB SER 101 0.362 -3.098 11.041 818 HG SER 101 HG SER 101 -1.285 -4.879 12.509 819 H GLY 102 H GLY 102 3.018 -4.026 11.367 820 HA2 GLY 102 2HA GLY 102 4.494 -5.686 10.720 821 HA3 GLY 102 3HA GLY 102 3.685 -6.785 11.823 822 H VAL 103 H VAL 103 2.234 -5.012 9.105 823 HA VAL 103 HA VAL 103 1.229 -7.526 8.024 824 HB VAL 103 HB VAL 103 0.721 -4.708 7.035 825 HG11 VAL 103 1HG1 VAL 103 -0.711 -7.310 6.467 826 HG12 VAL 103 2HG1 VAL 103 0.277 -6.387 5.335 827 HG13 VAL 103 3HG1 VAL 103 -1.241 -5.716 5.931 828 HG21 VAL 103 3HG2 VAL 103 -1.422 -4.869 8.245 829 HG22 VAL 103 1HG2 VAL 103 -0.040 -4.950 9.337 830 HG23 VAL 103 2HG2 VAL 103 -0.918 -6.419 8.917 831 H VAL 104 H VAL 104 1.961 -8.516 6.227 832 HA VAL 104 HA VAL 104 4.171 -7.258 4.735 833 HB VAL 104 HB VAL 104 3.404 -10.185 4.904 834 HG11 VAL 104 1HG1 VAL 104 5.808 -8.843 3.659 835 HG12 VAL 104 2HG1 VAL 104 4.519 -9.700 2.811 836 HG13 VAL 104 3HG1 VAL 104 5.614 -10.584 3.873 837 HG21 VAL 104 3HG2 VAL 104 5.442 -10.410 6.295 838 HG22 VAL 104 1HG2 VAL 104 4.209 -9.399 7.051 839 HG23 VAL 104 2HG2 VAL 104 5.615 -8.656 6.289 840 H LEU 105 H LEU 105 4.234 -7.446 2.415 841 HA LEU 105 HA LEU 105 1.584 -7.336 1.197 842 HB2 LEU 105 2HB LEU 105 4.308 -6.698 0.055 843 HB3 LEU 105 3HB LEU 105 2.783 -6.456 -0.776 844 HG LEU 105 HG LEU 105 3.715 -5.012 1.712 845 HD11 LEU 105 1HD1 LEU 105 3.251 -4.026 -1.102 846 HD12 LEU 105 2HD1 LEU 105 4.823 -4.291 -0.350 847 HD13 LEU 105 3HD1 LEU 105 3.747 -3.043 0.277 848 HD21 LEU 105 3HD2 LEU 105 1.663 -3.672 1.468 849 HD22 LEU 105 1HD2 LEU 105 1.309 -5.365 1.814 850 HD23 LEU 105 2HD2 LEU 105 1.128 -4.743 0.174 851 H LEU 106 H LEU 106 0.717 -9.081 0.304 852 HA LEU 106 HA LEU 106 2.342 -10.727 -1.483 853 HB2 LEU 106 2HB LEU 106 1.341 -12.819 -0.628 854 HB3 LEU 106 3HB LEU 106 2.384 -12.033 0.538 855 HG LEU 106 HG LEU 106 -0.626 -11.770 0.621 856 HD11 LEU 106 1HD1 LEU 106 -0.596 -13.498 2.372 857 HD12 LEU 106 2HD1 LEU 106 1.115 -13.786 2.047 858 HD13 LEU 106 3HD1 LEU 106 -0.090 -14.130 0.804 859 HD21 LEU 106 3HD2 LEU 106 1.503 -11.326 2.719 860 HD22 LEU 106 1HD2 LEU 106 -0.236 -11.149 2.954 861 HD23 LEU 106 2HD2 LEU 106 0.619 -10.066 1.859 862 H ASN 107 H ASN 107 1.148 -11.771 -3.146 863 HA ASN 107 HA ASN 107 -0.300 -11.546 -4.894 864 HB2 ASN 107 2HB ASN 107 -2.655 -12.371 -4.227 865 HB3 ASN 107 3HB ASN 107 -1.281 -13.441 -4.000 866 HD21 ASN 107 1HD2 ASN 107 -3.504 -11.279 -2.345 867 HD22 ASN 107 2HD2 ASN 107 -3.304 -11.992 -0.783 868 HA PRO 108 HA PRO 108 -2.019 -7.320 -4.246 869 HB2 PRO 108 2HB PRO 108 -1.021 -6.248 -6.514 870 HB3 PRO 108 3HB PRO 108 -0.049 -6.415 -5.047 871 HG2 PRO 108 2HG PRO 108 -0.103 -8.150 -7.490 872 HG3 PRO 108 3HG PRO 108 1.291 -7.575 -6.556 873 HD2 PRO 108 2HD PRO 108 0.229 -10.082 -6.283 874 HD3 PRO 108 3HD PRO 108 1.071 -9.230 -4.973 875 H ILE 109 H ILE 109 -3.844 -6.405 -5.176 876 HA ILE 109 HA ILE 109 -5.273 -8.028 -7.133 877 HB ILE 109 HB ILE 109 -6.164 -5.574 -5.593 878 HG12 ILE 109 2HG1 ILE 109 -5.753 -7.520 -4.151 879 HG13 ILE 109 3HG1 ILE 109 -7.474 -7.165 -4.244 880 HG21 ILE 109 1HG2 ILE 109 -7.384 -5.809 -7.708 881 HG22 ILE 109 2HG2 ILE 109 -8.428 -6.133 -6.325 882 HG23 ILE 109 3HG2 ILE 109 -7.799 -7.472 -7.287 883 HD11 ILE 109 3HD1 ILE 109 -7.037 -9.554 -4.328 884 HD12 ILE 109 1HD1 ILE 109 -6.041 -9.334 -5.767 885 HD13 ILE 109 2HD1 ILE 109 -7.771 -8.992 -5.827 886 HA PRO 110 HA PRO 110 -3.687 -5.256 -10.328 887 HB2 PRO 110 2HB PRO 110 -4.669 -6.618 -12.465 888 HB3 PRO 110 3HB PRO 110 -3.252 -7.155 -11.556 889 HG2 PRO 110 2HG PRO 110 -6.098 -8.081 -11.345 890 HG3 PRO 110 3HG PRO 110 -4.610 -9.046 -11.386 891 HD2 PRO 110 2HD PRO 110 -5.908 -8.476 -9.076 892 HD3 PRO 110 3HD PRO 110 -4.144 -8.657 -9.156 893 H LYS 111 H LYS 111 -4.639 -4.110 -12.292 894 HA LYS 111 HA LYS 111 -7.511 -3.578 -11.979 895 HB2 LYS 111 2HB LYS 111 -6.847 -1.097 -12.554 896 HB3 LYS 111 3HB LYS 111 -6.799 -1.686 -10.902 897 HG2 LYS 111 2HG LYS 111 -4.843 -0.429 -11.188 898 HG3 LYS 111 3HG LYS 111 -4.339 -2.112 -11.238 899 HD2 LYS 111 2HD LYS 111 -3.136 -0.911 -12.931 900 HD3 LYS 111 3HD LYS 111 -4.295 -1.962 -13.735 901 HE2 LYS 111 2HE LYS 111 -4.900 0.928 -13.158 902 HE3 LYS 111 3HE LYS 111 -4.032 0.431 -14.607 903 HZ1 LYS 111 3HZ LYS 111 -6.362 0.661 -15.072 904 HZ2 LYS 111 1HZ LYS 111 -6.770 -0.419 -13.839 905 HZ3 LYS 111 2HZ LYS 111 -5.931 -0.967 -15.198 906 H ASP 112 H ASP 112 -8.589 -3.825 -13.777 907 HA ASP 112 HA ASP 112 -7.293 -3.626 -16.384 908 HB2 ASP 112 2HB ASP 112 -9.596 -4.314 -17.203 909 HB3 ASP 112 3HB ASP 112 -8.794 -5.472 -16.147 910 H LYS 113 H LYS 113 -9.269 -2.595 -18.006 911 HA LYS 113 HA LYS 113 -10.152 -0.049 -16.869 912 HB2 LYS 113 2HB LYS 113 -9.248 1.204 -18.867 913 HB3 LYS 113 3HB LYS 113 -8.051 0.638 -17.718 914 HG2 LYS 113 2HG LYS 113 -7.166 0.291 -19.887 915 HG3 LYS 113 3HG LYS 113 -7.598 -1.293 -19.247 916 HD2 LYS 113 2HD LYS 113 -9.614 -1.333 -20.596 917 HD3 LYS 113 3HD LYS 113 -9.319 0.317 -21.146 918 HE2 LYS 113 2HE LYS 113 -8.698 -1.379 -22.833 919 HE3 LYS 113 3HE LYS 113 -7.327 -0.390 -22.328 920 HZ1 LYS 113 3HZ LYS 113 -7.921 -3.077 -21.221 921 HZ2 LYS 113 1HZ LYS 113 -6.525 -2.153 -20.976 922 HZ3 LYS 113 2HZ LYS 113 -6.855 -2.802 -22.502 923 H LYS 114 H LYS 114 -11.425 -2.579 -18.025 924 HA LYS 114 HA LYS 114 -12.725 -1.527 -20.419 925 HB2 LYS 114 2HB LYS 114 -13.430 -3.665 -20.921 926 HB3 LYS 114 3HB LYS 114 -11.945 -3.997 -20.050 927 HG2 LYS 114 2HG LYS 114 -14.699 -4.107 -18.826 928 HG3 LYS 114 3HG LYS 114 -13.833 -5.501 -19.472 929 HD2 LYS 114 2HD LYS 114 -12.097 -5.255 -17.820 930 HD3 LYS 114 3HD LYS 114 -12.797 -3.738 -17.249 931 HE2 LYS 114 2HE LYS 114 -14.804 -4.945 -16.516 932 HE3 LYS 114 3HE LYS 114 -14.102 -6.458 -17.084 933 HZ1 LYS 114 3HZ LYS 114 -12.362 -6.265 -15.473 934 HZ2 LYS 114 1HZ LYS 114 -13.845 -6.104 -14.677 935 HZ3 LYS 114 2HZ LYS 114 -12.896 -4.737 -14.987 936 H TRP 115 H TRP 115 -14.769 -0.777 -20.548 937 HA TRP 115 HA TRP 115 -16.325 -0.583 -18.056 938 HB2 TRP 115 2HB TRP 115 -16.747 0.970 -20.619 939 HB3 TRP 115 3HB TRP 115 -17.433 1.317 -19.036 940 HD1 TRP 115 HD1 TRP 115 -14.897 2.629 -21.198 941 HE1 TRP 115 HE1 TRP 115 -13.055 3.885 -19.917 942 HE3 TRP 115 HE3 TRP 115 -15.858 0.897 -16.477 943 HZ2 TRP 115 HZ2 TRP 115 -12.128 4.115 -17.268 944 HZ3 TRP 115 HZ3 TRP 115 -14.439 1.683 -14.628 945 HH2 TRP 115 HH2 TRP 115 -12.614 3.259 -15.015 946 H ILE 116 H ILE 116 -16.147 -2.429 -20.771 947 HA ILE 116 HA ILE 116 -17.427 -4.029 -21.711 948 HB ILE 116 HB ILE 116 -19.412 -3.456 -19.501 949 HG12 ILE 116 2HG1 ILE 116 -17.221 -5.553 -19.678 950 HG13 ILE 116 3HG1 ILE 116 -17.163 -4.106 -18.678 951 HG21 ILE 116 1HG2 ILE 116 -19.162 -5.828 -21.359 952 HG22 ILE 116 2HG2 ILE 116 -20.469 -4.642 -21.335 953 HG23 ILE 116 3HG2 ILE 116 -20.247 -5.735 -19.970 954 HD11 ILE 116 3HD1 ILE 116 -19.102 -6.392 -18.392 955 HD12 ILE 116 1HD1 ILE 116 -19.100 -4.922 -17.414 956 HD13 ILE 116 2HD1 ILE 116 -17.729 -6.031 -17.345 Start of MODEL 5 1 H1 MET 1 1H MET 1 8.654 -29.394 -22.173 2 H2 MET 1 2H MET 1 8.303 -28.783 -20.638 3 H3 MET 1 3H MET 1 9.897 -28.801 -21.193 4 HA MET 1 HA MET 1 9.374 -27.224 -22.913 5 HB2 MET 1 2HB MET 1 6.605 -27.383 -21.703 6 HB3 MET 1 3HB MET 1 7.112 -26.075 -22.765 7 HG2 MET 1 2HG MET 1 5.854 -27.778 -23.971 8 HG3 MET 1 3HG MET 1 7.510 -27.660 -24.566 9 HE1 MET 1 3HE MET 1 6.776 -31.455 -25.053 10 HE2 MET 1 1HE MET 1 7.380 -29.978 -25.806 11 HE3 MET 1 2HE MET 1 5.687 -30.094 -25.323 12 H GLY 2 H GLY 2 9.778 -25.048 -22.512 13 HA2 GLY 2 2HA GLY 2 10.826 -24.492 -19.940 14 HA3 GLY 2 3HA GLY 2 10.720 -23.363 -21.277 15 H HIS 3 H HIS 3 9.615 -24.076 -18.193 16 HA HIS 3 HA HIS 3 7.203 -22.431 -18.435 17 HB2 HIS 3 2HB HIS 3 6.920 -24.365 -17.053 18 HB3 HIS 3 3HB HIS 3 8.383 -24.011 -16.143 19 HD1 HIS 3 HD1 HIS 3 8.074 -22.759 -14.020 20 HD2 HIS 3 HD2 HIS 3 4.798 -22.373 -16.547 21 HE1 HIS 3 HE1 HIS 3 6.369 -21.466 -12.714 22 HE2 HIS 3 HE2 HIS 3 4.445 -21.140 -14.300 23 H HIS 4 H HIS 4 7.731 -20.317 -18.635 24 HA HIS 4 HA HIS 4 9.905 -19.149 -17.104 25 HB2 HIS 4 2HB HIS 4 7.959 -17.932 -19.079 26 HB3 HIS 4 3HB HIS 4 9.305 -17.068 -18.339 27 HD1 HIS 4 HD1 HIS 4 11.541 -17.286 -19.437 28 HD2 HIS 4 HD2 HIS 4 8.814 -20.082 -20.857 29 HE1 HIS 4 HE1 HIS 4 12.666 -18.396 -21.382 30 HE2 HIS 4 HE2 HIS 4 11.071 -20.187 -22.123 31 H HIS 5 H HIS 5 9.734 -17.778 -15.382 32 HA HIS 5 HA HIS 5 7.246 -17.705 -13.938 33 HB2 HIS 5 2HB HIS 5 10.003 -16.617 -13.385 34 HB3 HIS 5 3HB HIS 5 8.638 -16.238 -12.338 35 HD1 HIS 5 HD1 HIS 5 8.719 -17.670 -10.337 36 HD2 HIS 5 HD2 HIS 5 9.936 -19.727 -13.734 37 HE1 HIS 5 HE1 HIS 5 9.188 -20.011 -9.573 38 HE2 HIS 5 HE2 HIS 5 9.736 -21.273 -11.671 39 H HIS 6 H HIS 6 6.289 -15.707 -13.094 40 HA HIS 6 HA HIS 6 5.993 -13.813 -15.306 41 HB2 HIS 6 2HB HIS 6 4.316 -14.114 -12.799 42 HB3 HIS 6 3HB HIS 6 3.919 -13.138 -14.213 43 HD1 HIS 6 HD1 HIS 6 2.726 -14.312 -16.106 44 HD2 HIS 6 HD2 HIS 6 4.266 -16.959 -13.302 45 HE1 HIS 6 HE1 HIS 6 1.843 -16.570 -16.755 46 HE2 HIS 6 HE2 HIS 6 2.960 -18.169 -15.171 47 H HIS 7 H HIS 7 7.692 -12.408 -15.141 48 HA HIS 7 HA HIS 7 7.466 -10.267 -13.280 49 HB2 HIS 7 2HB HIS 7 8.609 -11.958 -11.830 50 HB3 HIS 7 3HB HIS 7 9.950 -11.986 -12.970 51 HD1 HIS 7 HD1 HIS 7 8.491 -10.028 -10.186 52 HD2 HIS 7 HD2 HIS 7 11.551 -9.613 -12.962 53 HE1 HIS 7 HE1 HIS 7 9.883 -8.114 -9.363 54 HE2 HIS 7 HE2 HIS 7 11.615 -7.768 -11.154 55 H HIS 8 H HIS 8 7.635 -8.747 -14.831 56 HA HIS 8 HA HIS 8 9.406 -8.997 -17.083 57 HB2 HIS 8 2HB HIS 8 7.162 -7.897 -17.178 58 HB3 HIS 8 3HB HIS 8 7.792 -6.595 -16.177 59 HD1 HIS 8 HD1 HIS 8 9.146 -4.789 -17.334 60 HD2 HIS 8 HD2 HIS 8 8.213 -7.965 -19.845 61 HE1 HIS 8 HE1 HIS 8 9.787 -4.033 -19.636 62 HE2 HIS 8 HE2 HIS 8 9.285 -5.988 -21.129 63 H SER 9 H SER 9 11.381 -8.042 -17.416 64 HA SER 9 HA SER 9 13.014 -7.411 -15.255 65 HB2 SER 9 2HB SER 9 13.867 -8.154 -17.458 66 HB3 SER 9 3HB SER 9 13.451 -6.581 -18.138 67 HG SER 9 HG SER 9 15.155 -5.721 -17.215 68 H HIS 10 H HIS 10 12.231 -4.986 -17.799 69 HA HIS 10 HA HIS 10 12.859 -2.784 -16.139 70 HB2 HIS 10 2HB HIS 10 12.838 -2.677 -18.625 71 HB3 HIS 10 3HB HIS 10 11.083 -2.792 -18.597 72 HD1 HIS 10 HD1 HIS 10 9.768 -0.679 -17.908 73 HD2 HIS 10 HD2 HIS 10 13.894 -0.182 -17.859 74 HE1 HIS 10 HE1 HIS 10 10.145 1.788 -17.676 75 HE2 HIS 10 HE2 HIS 10 12.629 2.026 -17.393 76 H MET 11 H MET 11 11.641 -1.539 -14.789 77 HA MET 11 HA MET 11 9.121 -2.649 -13.891 78 HB2 MET 11 2HB MET 11 10.733 -0.274 -12.930 79 HB3 MET 11 3HB MET 11 9.278 -0.875 -12.146 80 HG2 MET 11 2HG MET 11 10.377 -3.012 -11.720 81 HG3 MET 11 3HG MET 11 11.832 -2.427 -12.529 82 HE1 MET 11 3HE MET 11 11.709 -3.662 -9.528 83 HE2 MET 11 1HE MET 11 12.821 -2.568 -8.703 84 HE3 MET 11 2HE MET 11 13.206 -3.163 -10.318 85 H LYS 12 H LYS 12 7.689 -0.498 -13.035 86 HA LYS 12 HA LYS 12 7.063 1.152 -15.378 87 HB2 LYS 12 2HB LYS 12 5.176 -0.758 -13.991 88 HB3 LYS 12 3HB LYS 12 4.577 0.636 -14.874 89 HG2 LYS 12 2HG LYS 12 6.247 -1.583 -16.050 90 HG3 LYS 12 3HG LYS 12 4.497 -1.417 -16.205 91 HD2 LYS 12 2HD LYS 12 4.927 0.846 -17.264 92 HD3 LYS 12 3HD LYS 12 6.636 0.406 -17.316 93 HE2 LYS 12 2HE LYS 12 5.591 -0.066 -19.455 94 HE3 LYS 12 3HE LYS 12 6.051 -1.578 -18.671 95 HZ1 LYS 12 3HZ LYS 12 3.322 -0.404 -18.710 96 HZ2 LYS 12 1HZ LYS 12 3.756 -1.844 -17.937 97 HZ3 LYS 12 2HZ LYS 12 3.838 -1.730 -19.621 98 HA PRO 13 HA PRO 13 6.351 4.334 -12.285 99 HB2 PRO 13 2HB PRO 13 4.504 5.864 -13.624 100 HB3 PRO 13 3HB PRO 13 6.240 5.910 -13.943 101 HG2 PRO 13 2HG PRO 13 4.079 4.446 -15.412 102 HG3 PRO 13 3HG PRO 13 5.461 5.349 -16.062 103 HD2 PRO 13 2HD PRO 13 5.457 2.655 -15.917 104 HD3 PRO 13 3HD PRO 13 6.940 3.604 -15.686 105 H LEU 14 H LEU 14 4.309 5.554 -11.315 106 HA LEU 14 HA LEU 14 2.949 3.559 -9.862 107 HB2 LEU 14 2HB LEU 14 3.533 5.820 -9.016 108 HB3 LEU 14 3HB LEU 14 2.291 6.503 -10.052 109 HG LEU 14 HG LEU 14 0.557 5.295 -8.783 110 HD11 LEU 14 1HD1 LEU 14 2.846 4.344 -7.060 111 HD12 LEU 14 2HD1 LEU 14 1.831 3.344 -8.100 112 HD13 LEU 14 3HD1 LEU 14 1.131 4.143 -6.694 113 HD21 LEU 14 3HD2 LEU 14 2.429 6.925 -7.064 114 HD22 LEU 14 1HD2 LEU 14 0.743 6.563 -6.687 115 HD23 LEU 14 2HD2 LEU 14 1.139 7.546 -8.096 116 H ALA 15 H ALA 15 1.763 5.762 -12.399 117 HA ALA 15 HA ALA 15 -0.945 4.963 -12.303 118 HB1 ALA 15 3HB ALA 15 -0.167 7.059 -13.334 119 HB2 ALA 15 1HB ALA 15 -1.180 6.120 -14.430 120 HB3 ALA 15 2HB ALA 15 0.572 6.131 -14.639 121 H GLU 16 H GLU 16 1.803 3.396 -13.617 122 HA GLU 16 HA GLU 16 0.281 1.749 -15.493 123 HB2 GLU 16 2HB GLU 16 3.203 2.083 -14.861 124 HB3 GLU 16 3HB GLU 16 2.645 0.718 -15.814 125 HG2 GLU 16 2HG GLU 16 2.026 3.566 -16.555 126 HG3 GLU 16 3HG GLU 16 3.492 2.740 -17.082 127 H GLN 17 H GLN 17 0.857 1.649 -12.232 128 HA GLN 17 HA GLN 17 1.533 -1.150 -11.967 129 HB2 GLN 17 2HB GLN 17 0.771 0.945 -9.927 130 HB3 GLN 17 3HB GLN 17 1.226 -0.705 -9.520 131 HG2 GLN 17 2HG GLN 17 2.973 1.290 -10.951 132 HG3 GLN 17 3HG GLN 17 3.088 0.857 -9.247 133 HE21 GLN 17 1HE2 GLN 17 5.074 0.605 -11.366 134 HE22 GLN 17 2HE2 GLN 17 5.505 -1.065 -11.409 135 H ASP 18 H ASP 18 0.231 -2.840 -11.526 136 HA ASP 18 HA ASP 18 -2.539 -2.651 -12.105 137 HB2 ASP 18 2HB ASP 18 -2.596 -5.057 -11.574 138 HB3 ASP 18 3HB ASP 18 -1.247 -4.653 -12.630 139 H TRP 19 H TRP 19 -0.748 -2.923 -9.067 140 HA TRP 19 HA TRP 19 -3.103 -3.203 -7.453 141 HB2 TRP 19 2HB TRP 19 -1.422 -2.672 -5.559 142 HB3 TRP 19 3HB TRP 19 -1.220 -4.162 -6.472 143 HD1 TRP 19 HD1 TRP 19 1.028 -4.515 -7.723 144 HE1 TRP 19 HE1 TRP 19 3.203 -3.157 -7.934 145 HE3 TRP 19 HE3 TRP 19 -0.562 -0.097 -5.696 146 HZ2 TRP 19 HZ2 TRP 19 4.128 -0.568 -7.317 147 HZ3 TRP 19 HZ3 TRP 19 1.031 1.769 -5.545 148 HH2 TRP 19 HH2 TRP 19 3.331 1.538 -6.339 149 H TYR 20 H TYR 20 -2.016 -0.569 -9.119 150 HA TYR 20 HA TYR 20 -2.852 1.390 -7.098 151 HB2 TYR 20 2HB TYR 20 -0.776 1.869 -8.309 152 HB3 TYR 20 3HB TYR 20 -1.634 1.792 -9.845 153 HD1 TYR 20 HD2 TYR 20 -1.719 3.633 -6.586 154 HD2 TYR 20 HD1 TYR 20 -2.380 3.786 -10.793 155 HE1 TYR 20 HE2 TYR 20 -2.199 6.037 -6.420 156 HE2 TYR 20 HE1 TYR 20 -2.862 6.190 -10.635 157 HH TYR 20 HH TYR 20 -2.134 8.036 -7.927 158 H HIS 21 H HIS 21 -4.976 1.833 -7.003 159 HA HIS 21 HA HIS 21 -6.605 1.538 -9.445 160 HB2 HIS 21 2HB HIS 21 -7.337 1.394 -6.519 161 HB3 HIS 21 3HB HIS 21 -8.541 1.461 -7.801 162 HD1 HIS 21 HD1 HIS 21 -9.372 -0.762 -8.459 163 HD2 HIS 21 HD2 HIS 21 -5.449 -0.956 -7.086 164 HE1 HIS 21 HE1 HIS 21 -8.755 -3.190 -8.525 165 HE2 HIS 21 HE2 HIS 21 -6.321 -3.254 -7.898 166 H GLY 22 H GLY 22 -5.067 4.013 -8.130 167 HA2 GLY 22 2HA GLY 22 -5.315 6.273 -8.615 168 HA3 GLY 22 3HA GLY 22 -6.922 5.938 -9.235 169 H ALA 23 H ALA 23 -7.705 7.835 -8.174 170 HA ALA 23 HA ALA 23 -7.558 7.923 -5.258 171 HB1 ALA 23 3HB ALA 23 -7.148 9.987 -6.518 172 HB2 ALA 23 1HB ALA 23 -8.542 10.144 -5.448 173 HB3 ALA 23 2HB ALA 23 -8.780 9.905 -7.180 174 H ILE 24 H ILE 24 -8.885 6.044 -4.886 175 HA ILE 24 HA ILE 24 -11.770 6.431 -5.383 176 HB ILE 24 HB ILE 24 -12.017 4.012 -4.919 177 HG12 ILE 24 2HG1 ILE 24 -8.984 4.020 -4.801 178 HG13 ILE 24 3HG1 ILE 24 -10.065 3.728 -3.442 179 HG21 ILE 24 1HG2 ILE 24 -11.020 3.205 -7.004 180 HG22 ILE 24 2HG2 ILE 24 -9.998 4.641 -7.076 181 HG23 ILE 24 3HG2 ILE 24 -11.750 4.797 -7.219 182 HD11 ILE 24 3HD1 ILE 24 -9.774 1.992 -5.881 183 HD12 ILE 24 1HD1 ILE 24 -10.893 1.709 -4.546 184 HD13 ILE 24 2HD1 ILE 24 -9.153 1.657 -4.266 185 HA PRO 25 HA PRO 25 -12.553 7.084 -1.049 186 HB2 PRO 25 2HB PRO 25 -15.070 5.568 -1.346 187 HB3 PRO 25 3HB PRO 25 -14.824 7.267 -0.934 188 HG2 PRO 25 2HG PRO 25 -15.796 6.533 -3.324 189 HG3 PRO 25 3HG PRO 25 -14.705 7.925 -3.153 190 HD2 PRO 25 2HD PRO 25 -14.086 5.133 -4.080 191 HD3 PRO 25 3HD PRO 25 -13.541 6.687 -4.749 192 H ARG 26 H ARG 26 -13.395 5.878 0.969 193 HA ARG 26 HA ARG 26 -11.674 3.745 1.534 194 HB2 ARG 26 2HB ARG 26 -12.653 5.215 3.271 195 HB3 ARG 26 3HB ARG 26 -14.231 4.493 2.985 196 HG2 ARG 26 2HG ARG 26 -13.212 2.273 3.631 197 HG3 ARG 26 3HG ARG 26 -11.783 3.170 4.144 198 HD2 ARG 26 2HD ARG 26 -14.586 3.489 5.227 199 HD3 ARG 26 3HD ARG 26 -13.237 2.699 6.041 200 HE ARG 26 HE ARG 26 -12.928 5.513 5.317 201 HH11 ARG 26 1HH1 ARG 26 -13.494 3.165 7.776 202 HH12 ARG 26 2HH1 ARG 26 -13.173 4.276 9.058 203 HH21 ARG 26 1HH2 ARG 26 -12.517 6.916 6.960 204 HH22 ARG 26 2HH2 ARG 26 -12.596 6.376 8.600 205 H ILE 27 H ILE 27 -15.136 3.729 0.753 206 HA ILE 27 HA ILE 27 -15.679 1.027 1.150 207 HB ILE 27 HB ILE 27 -16.891 2.907 -0.893 208 HG12 ILE 27 2HG1 ILE 27 -17.815 2.123 1.888 209 HG13 ILE 27 3HG1 ILE 27 -17.089 3.665 1.452 210 HG21 ILE 27 1HG2 ILE 27 -17.343 0.589 -1.495 211 HG22 ILE 27 2HG2 ILE 27 -18.812 1.378 -0.921 212 HG23 ILE 27 3HG2 ILE 27 -17.937 0.264 0.133 213 HD11 ILE 27 3HD1 ILE 27 -19.499 3.845 1.662 214 HD12 ILE 27 1HD1 ILE 27 -19.713 2.605 0.427 215 HD13 ILE 27 2HD1 ILE 27 -18.986 4.156 0.005 216 H GLU 28 H GLU 28 -14.888 2.591 -1.974 217 HA GLU 28 HA GLU 28 -14.789 0.298 -3.536 218 HB2 GLU 28 2HB GLU 28 -13.174 2.841 -3.835 219 HB3 GLU 28 3HB GLU 28 -13.396 1.633 -5.094 220 HG2 GLU 28 2HG GLU 28 -15.659 3.146 -3.807 221 HG3 GLU 28 3HG GLU 28 -14.853 3.657 -5.288 222 H ALA 29 H ALA 29 -12.356 1.609 -1.383 223 HA ALA 29 HA ALA 29 -10.192 0.009 -2.387 224 HB1 ALA 29 3HB ALA 29 -10.433 1.512 0.221 225 HB2 ALA 29 1HB ALA 29 -9.784 2.156 -1.288 226 HB3 ALA 29 2HB ALA 29 -8.948 0.842 -0.455 227 H GLN 30 H GLN 30 -12.500 -0.299 0.286 228 HA GLN 30 HA GLN 30 -11.117 -2.633 1.336 229 HB2 GLN 30 2HB GLN 30 -12.698 -2.567 3.161 230 HB3 GLN 30 3HB GLN 30 -12.063 -0.954 2.876 231 HG2 GLN 30 2HG GLN 30 -14.097 -0.316 1.729 232 HG3 GLN 30 3HG GLN 30 -14.739 -1.946 1.907 233 HE21 GLN 30 1HE2 GLN 30 -15.924 0.482 2.844 234 HE22 GLN 30 2HE2 GLN 30 -16.054 0.353 4.561 235 H GLU 31 H GLU 31 -13.923 -1.968 -0.640 236 HA GLU 31 HA GLU 31 -15.465 -4.244 -0.217 237 HB2 GLU 31 2HB GLU 31 -15.105 -2.532 -2.678 238 HB3 GLU 31 3HB GLU 31 -16.245 -3.868 -2.629 239 HG2 GLU 31 2HG GLU 31 -16.283 -1.527 -0.735 240 HG3 GLU 31 3HG GLU 31 -17.268 -1.655 -2.192 241 H LEU 32 H LEU 32 -12.651 -3.873 -2.341 242 HA LEU 32 HA LEU 32 -13.010 -6.465 -3.541 243 HB2 LEU 32 2HB LEU 32 -10.889 -6.038 -4.666 244 HB3 LEU 32 3HB LEU 32 -11.979 -4.676 -4.803 245 HG LEU 32 HG LEU 32 -10.592 -3.767 -2.727 246 HD11 LEU 32 1HD1 LEU 32 -8.231 -4.371 -2.873 247 HD12 LEU 32 2HD1 LEU 32 -8.610 -5.596 -4.080 248 HD13 LEU 32 3HD1 LEU 32 -9.223 -5.757 -2.434 249 HD21 LEU 32 3HD2 LEU 32 -9.129 -2.580 -4.302 250 HD22 LEU 32 1HD2 LEU 32 -10.797 -2.636 -4.873 251 HD23 LEU 32 2HD2 LEU 32 -9.587 -3.710 -5.578 252 H LEU 33 H LEU 33 -11.282 -5.238 -0.779 253 HA LEU 33 HA LEU 33 -9.397 -7.315 -0.428 254 HB2 LEU 33 2HB LEU 33 -10.694 -5.549 1.665 255 HB3 LEU 33 3HB LEU 33 -9.227 -6.486 1.883 256 HG LEU 33 HG LEU 33 -9.544 -4.191 -0.063 257 HD11 LEU 33 1HD1 LEU 33 -9.597 -3.405 2.240 258 HD12 LEU 33 2HD1 LEU 33 -8.084 -2.950 1.458 259 HD13 LEU 33 3HD1 LEU 33 -8.117 -4.299 2.596 260 HD21 LEU 33 3HD2 LEU 33 -7.098 -5.768 0.741 261 HD22 LEU 33 1HD2 LEU 33 -7.122 -4.358 -0.321 262 HD23 LEU 33 2HD2 LEU 33 -7.922 -5.848 -0.818 263 H LYS 34 H LYS 34 -9.898 -9.438 -0.166 264 HA LYS 34 HA LYS 34 -12.263 -10.117 1.480 265 HB2 LYS 34 2HB LYS 34 -12.777 -11.955 -0.083 266 HB3 LYS 34 3HB LYS 34 -12.865 -10.374 -0.845 267 HG2 LYS 34 2HG LYS 34 -10.533 -10.788 -1.717 268 HG3 LYS 34 3HG LYS 34 -10.705 -12.448 -1.148 269 HD2 LYS 34 2HD LYS 34 -11.317 -12.548 -3.411 270 HD3 LYS 34 3HD LYS 34 -12.854 -12.515 -2.549 271 HE2 LYS 34 2HE LYS 34 -11.519 -10.117 -3.820 272 HE3 LYS 34 3HE LYS 34 -12.829 -11.048 -4.540 273 HZ1 LYS 34 3HZ LYS 34 -13.730 -9.108 -3.521 274 HZ2 LYS 34 1HZ LYS 34 -12.957 -9.430 -2.053 275 HZ3 LYS 34 2HZ LYS 34 -14.200 -10.437 -2.594 276 H LYS 35 H LYS 35 -9.083 -11.234 0.332 277 HA LYS 35 HA LYS 35 -9.055 -13.142 2.595 278 HB2 LYS 35 2HB LYS 35 -7.578 -14.595 1.295 279 HB3 LYS 35 3HB LYS 35 -9.103 -14.337 0.460 280 HG2 LYS 35 2HG LYS 35 -8.042 -12.730 -1.028 281 HG3 LYS 35 3HG LYS 35 -6.516 -12.917 -0.165 282 HD2 LYS 35 2HD LYS 35 -6.400 -14.227 -2.163 283 HD3 LYS 35 3HD LYS 35 -6.533 -15.337 -0.801 284 HE2 LYS 35 2HE LYS 35 -8.930 -14.466 -2.411 285 HE3 LYS 35 3HE LYS 35 -7.942 -15.846 -2.873 286 HZ1 LYS 35 3HZ LYS 35 -8.458 -16.895 -0.774 287 HZ2 LYS 35 1HZ LYS 35 -9.888 -16.495 -1.581 288 HZ3 LYS 35 2HZ LYS 35 -9.362 -15.560 -0.278 289 H GLN 36 H GLN 36 -6.997 -13.498 3.641 290 HA GLN 36 HA GLN 36 -5.612 -11.150 4.241 291 HB2 GLN 36 2HB GLN 36 -5.644 -13.041 5.783 292 HB3 GLN 36 3HB GLN 36 -4.712 -14.014 4.649 293 HG2 GLN 36 2HG GLN 36 -2.824 -12.459 4.879 294 HG3 GLN 36 3HG GLN 36 -3.757 -11.501 6.024 295 HE21 GLN 36 1HE2 GLN 36 -4.144 -12.350 8.098 296 HE22 GLN 36 2HE2 GLN 36 -3.185 -13.634 8.738 297 H GLY 37 H GLY 37 -4.454 -10.003 2.842 298 HA2 GLY 37 2HA GLY 37 -2.045 -10.163 1.964 299 HA3 GLY 37 3HA GLY 37 -2.708 -11.407 0.919 300 H ASP 38 H ASP 38 -5.217 -10.088 0.396 301 HA ASP 38 HA ASP 38 -4.652 -8.691 -1.916 302 HB2 ASP 38 2HB ASP 38 -7.064 -8.313 -0.115 303 HB3 ASP 38 3HB ASP 38 -6.965 -7.820 -1.802 304 H PHE 39 H PHE 39 -3.774 -6.711 -2.304 305 HA PHE 39 HA PHE 39 -4.315 -4.531 -0.432 306 HB2 PHE 39 2HB PHE 39 -2.017 -3.873 -0.203 307 HB3 PHE 39 3HB PHE 39 -2.148 -5.566 0.250 308 HD1 PHE 39 HD1 PHE 39 -1.247 -7.324 -1.255 309 HD2 PHE 39 HD2 PHE 39 -0.689 -3.177 -2.067 310 HE1 PHE 39 HE1 PHE 39 0.573 -7.872 -2.820 311 HE2 PHE 39 HE2 PHE 39 1.125 -3.723 -3.634 312 HZ PHE 39 HZ PHE 39 1.759 -6.072 -4.010 313 H LEU 40 H LEU 40 -4.117 -2.448 -1.258 314 HA LEU 40 HA LEU 40 -3.273 -2.043 -4.016 315 HB2 LEU 40 2HB LEU 40 -5.290 -1.003 -4.768 316 HB3 LEU 40 3HB LEU 40 -5.703 -2.596 -4.167 317 HG LEU 40 HG LEU 40 -6.039 -0.134 -2.452 318 HD11 LEU 40 1HD1 LEU 40 -7.289 0.253 -4.507 319 HD12 LEU 40 2HD1 LEU 40 -8.370 -0.035 -3.145 320 HD13 LEU 40 3HD1 LEU 40 -8.085 -1.313 -4.329 321 HD21 LEU 40 3HD2 LEU 40 -7.357 -2.852 -2.404 322 HD22 LEU 40 1HD2 LEU 40 -7.691 -1.525 -1.294 323 HD23 LEU 40 2HD2 LEU 40 -6.102 -2.291 -1.301 324 H VAL 41 H VAL 41 -2.796 0.149 -4.506 325 HA VAL 41 HA VAL 41 -2.727 1.959 -2.174 326 HB VAL 41 HB VAL 41 -1.092 2.031 -4.726 327 HG11 VAL 41 1HG1 VAL 41 -1.571 4.303 -3.957 328 HG12 VAL 41 2HG1 VAL 41 0.126 3.902 -3.693 329 HG13 VAL 41 3HG1 VAL 41 -1.004 3.890 -2.338 330 HG21 VAL 41 3HG2 VAL 41 0.806 1.560 -3.232 331 HG22 VAL 41 1HG2 VAL 41 -0.400 0.274 -3.179 332 HG23 VAL 41 2HG2 VAL 41 -0.303 1.445 -1.864 333 H ARG 42 H ARG 42 -4.025 3.670 -2.141 334 HA ARG 42 HA ARG 42 -5.226 4.625 -4.676 335 HB2 ARG 42 2HB ARG 42 -7.284 5.079 -3.528 336 HB3 ARG 42 3HB ARG 42 -6.828 3.428 -3.118 337 HG2 ARG 42 2HG ARG 42 -6.022 4.128 -0.956 338 HG3 ARG 42 3HG ARG 42 -6.275 5.823 -1.368 339 HD2 ARG 42 2HD ARG 42 -8.742 5.190 -1.672 340 HD3 ARG 42 3HD ARG 42 -8.330 3.699 -0.827 341 HE ARG 42 HE ARG 42 -7.833 4.967 1.114 342 HH11 ARG 42 1HH1 ARG 42 -9.229 6.832 -1.421 343 HH12 ARG 42 2HH1 ARG 42 -9.539 8.190 -0.396 344 HH21 ARG 42 1HH2 ARG 42 -8.258 6.734 2.421 345 HH22 ARG 42 2HH2 ARG 42 -9.006 8.132 1.739 346 H GLU 43 H GLU 43 -5.859 6.946 -4.624 347 HA GLU 43 HA GLU 43 -4.232 8.533 -2.739 348 HB2 GLU 43 2HB GLU 43 -3.779 8.920 -5.158 349 HB3 GLU 43 3HB GLU 43 -5.455 9.415 -5.372 350 HG2 GLU 43 2HG GLU 43 -5.063 11.265 -3.751 351 HG3 GLU 43 3HG GLU 43 -3.367 10.794 -3.682 352 H SER 44 H SER 44 -5.207 10.161 -1.505 353 HA SER 44 HA SER 44 -7.974 9.892 -0.904 354 HB2 SER 44 2HB SER 44 -5.974 12.044 -0.158 355 HB3 SER 44 3HB SER 44 -7.622 11.980 0.467 356 HG SER 44 HG SER 44 -5.857 10.959 1.750 357 H HIS 45 H HIS 45 -9.643 10.620 -2.065 358 HA HIS 45 HA HIS 45 -9.374 11.992 -4.469 359 HB2 HIS 45 2HB HIS 45 -11.295 10.540 -3.855 360 HB3 HIS 45 3HB HIS 45 -11.883 11.808 -2.786 361 HD1 HIS 45 HD1 HIS 45 -13.296 13.614 -3.824 362 HD2 HIS 45 HD2 HIS 45 -11.400 11.241 -6.660 363 HE1 HIS 45 HE1 HIS 45 -14.274 14.293 -6.033 364 HE2 HIS 45 HE2 HIS 45 -13.006 12.957 -7.741 365 H GLY 46 H GLY 46 -9.917 13.304 -1.254 366 HA2 GLY 46 2HA GLY 46 -10.290 16.006 -2.374 367 HA3 GLY 46 3HA GLY 46 -10.609 15.528 -0.717 368 H LYS 47 H LYS 47 -7.701 14.162 -1.449 369 HA LYS 47 HA LYS 47 -6.159 16.519 -0.556 370 HB2 LYS 47 2HB LYS 47 -6.739 14.881 1.308 371 HB3 LYS 47 3HB LYS 47 -5.706 13.721 0.490 372 HG2 LYS 47 2HG LYS 47 -4.210 14.566 1.985 373 HG3 LYS 47 3HG LYS 47 -3.941 15.682 0.646 374 HD2 LYS 47 2HD LYS 47 -4.122 16.900 2.746 375 HD3 LYS 47 3HD LYS 47 -5.486 17.294 1.693 376 HE2 LYS 47 2HE LYS 47 -6.169 16.941 4.044 377 HE3 LYS 47 3HE LYS 47 -6.927 15.793 2.944 378 HZ1 LYS 47 3HZ LYS 47 -5.285 14.134 3.604 379 HZ2 LYS 47 1HZ LYS 47 -6.143 14.703 4.947 380 HZ3 LYS 47 2HZ LYS 47 -4.568 15.243 4.662 381 HA PRO 48 HA PRO 48 -4.095 14.803 -4.307 382 HB2 PRO 48 2HB PRO 48 -2.790 17.134 -4.921 383 HB3 PRO 48 3HB PRO 48 -4.445 16.778 -5.425 384 HG2 PRO 48 2HG PRO 48 -3.482 18.416 -3.104 385 HG3 PRO 48 3HG PRO 48 -4.789 18.763 -4.253 386 HD2 PRO 48 2HD PRO 48 -5.289 17.807 -1.783 387 HD3 PRO 48 3HD PRO 48 -6.276 17.336 -3.183 388 H GLY 49 H GLY 49 -2.280 13.619 -4.107 389 HA2 GLY 49 2HA GLY 49 0.045 13.336 -3.808 390 HA3 GLY 49 3HA GLY 49 0.084 14.779 -2.810 391 H GLU 50 H GLU 50 -2.471 13.099 -1.647 392 HA GLU 50 HA GLU 50 -0.828 11.732 0.383 393 HB2 GLU 50 2HB GLU 50 -2.377 13.416 1.253 394 HB3 GLU 50 3HB GLU 50 -3.727 12.603 0.473 395 HG2 GLU 50 2HG GLU 50 -3.443 10.675 1.917 396 HG3 GLU 50 3HG GLU 50 -2.021 11.409 2.656 397 H TYR 51 H TYR 51 -0.472 9.675 -0.207 398 HA TYR 51 HA TYR 51 -2.638 8.150 -1.489 399 HB2 TYR 51 2HB TYR 51 0.350 7.678 -1.379 400 HB3 TYR 51 3HB TYR 51 -0.794 6.530 -2.070 401 HD1 TYR 51 HD2 TYR 51 0.526 9.985 -2.409 402 HD2 TYR 51 HD1 TYR 51 -1.602 6.808 -4.280 403 HE1 TYR 51 HE2 TYR 51 0.603 11.197 -4.545 404 HE2 TYR 51 HE1 TYR 51 -1.525 8.011 -6.422 405 HH TYR 51 HH TYR 51 -1.324 10.525 -7.103 406 H VAL 52 H VAL 52 -3.626 6.514 -0.503 407 HA VAL 52 HA VAL 52 -2.605 5.626 2.124 408 HB VAL 52 HB VAL 52 -5.468 5.555 1.135 409 HG11 VAL 52 1HG1 VAL 52 -4.300 5.009 3.870 410 HG12 VAL 52 2HG1 VAL 52 -4.998 3.817 2.770 411 HG13 VAL 52 3HG1 VAL 52 -6.021 5.065 3.482 412 HG21 VAL 52 3HG2 VAL 52 -5.882 7.415 2.684 413 HG22 VAL 52 1HG2 VAL 52 -4.717 7.863 1.437 414 HG23 VAL 52 2HG2 VAL 52 -4.163 7.481 3.070 415 H LEU 53 H LEU 53 -1.941 3.589 2.274 416 HA LEU 53 HA LEU 53 -2.513 1.641 0.193 417 HB2 LEU 53 2HB LEU 53 -0.248 1.780 1.073 418 HB3 LEU 53 3HB LEU 53 -0.829 1.523 2.707 419 HG LEU 53 HG LEU 53 -1.542 -0.779 2.038 420 HD11 LEU 53 1HD1 LEU 53 -0.684 -1.739 -0.027 421 HD12 LEU 53 2HD1 LEU 53 -0.041 -0.168 -0.507 422 HD13 LEU 53 3HD1 LEU 53 -1.783 -0.402 -0.363 423 HD21 LEU 53 3HD2 LEU 53 0.704 -1.728 2.053 424 HD22 LEU 53 1HD2 LEU 53 0.587 -0.379 3.183 425 HD23 LEU 53 2HD2 LEU 53 1.387 -0.160 1.625 426 H SER 54 H SER 54 -3.878 -0.095 0.389 427 HA SER 54 HA SER 54 -5.122 -0.589 3.023 428 HB2 SER 54 2HB SER 54 -6.561 -0.480 0.359 429 HB3 SER 54 3HB SER 54 -7.288 -1.020 1.873 430 HG SER 54 HG SER 54 -6.327 1.560 1.204 431 H VAL 55 H VAL 55 -5.026 -2.640 3.665 432 HA VAL 55 HA VAL 55 -4.772 -4.799 1.696 433 HB VAL 55 HB VAL 55 -2.475 -4.235 2.163 434 HG11 VAL 55 1HG1 VAL 55 -1.535 -4.272 4.431 435 HG12 VAL 55 2HG1 VAL 55 -3.151 -4.532 5.090 436 HG13 VAL 55 3HG1 VAL 55 -2.772 -3.028 4.251 437 HG21 VAL 55 3HG2 VAL 55 -1.642 -6.359 3.096 438 HG22 VAL 55 1HG2 VAL 55 -2.955 -6.618 1.945 439 HG23 VAL 55 2HG2 VAL 55 -3.263 -6.733 3.679 440 H TYR 56 H TYR 56 -5.720 -6.709 2.317 441 HA TYR 56 HA TYR 56 -7.300 -6.682 4.743 442 HB2 TYR 56 2HB TYR 56 -8.008 -7.646 2.458 443 HB3 TYR 56 3HB TYR 56 -7.014 -9.038 2.874 444 HD1 TYR 56 HD2 TYR 56 -7.701 -10.564 4.668 445 HD2 TYR 56 HD1 TYR 56 -10.086 -7.192 3.636 446 HE1 TYR 56 HE2 TYR 56 -9.580 -11.508 5.943 447 HE2 TYR 56 HE1 TYR 56 -11.966 -8.128 4.907 448 HH TYR 56 HH TYR 56 -11.645 -10.646 7.100 449 H SER 57 H SER 57 -6.389 -7.168 6.633 450 HA SER 57 HA SER 57 -4.692 -9.534 6.885 451 HB2 SER 57 2HB SER 57 -3.111 -7.684 6.459 452 HB3 SER 57 3HB SER 57 -3.775 -6.806 7.835 453 HG SER 57 HG SER 57 -2.784 -8.133 9.194 454 H ASP 58 H ASP 58 -4.758 -10.495 8.885 455 HA ASP 58 HA ASP 58 -5.417 -11.011 11.001 456 HB2 ASP 58 2HB ASP 58 -5.953 -8.043 11.293 457 HB3 ASP 58 3HB ASP 58 -5.846 -9.208 12.610 458 H GLY 59 H GLY 59 -7.362 -10.648 8.672 459 HA2 GLY 59 2HA GLY 59 -9.605 -11.303 8.472 460 HA3 GLY 59 3HA GLY 59 -9.823 -11.041 10.194 461 H GLN 60 H GLN 60 -8.335 -8.332 9.351 462 HA GLN 60 HA GLN 60 -10.852 -6.899 8.756 463 HB2 GLN 60 2HB GLN 60 -8.422 -6.004 10.324 464 HB3 GLN 60 3HB GLN 60 -9.798 -4.975 9.950 465 HG2 GLN 60 2HG GLN 60 -11.257 -6.448 11.250 466 HG3 GLN 60 3HG GLN 60 -9.886 -7.501 11.601 467 HE21 GLN 60 1HE2 GLN 60 -11.390 -4.440 12.280 468 HE22 GLN 60 2HE2 GLN 60 -10.433 -4.056 13.663 469 H ARG 61 H ARG 61 -10.472 -4.693 7.723 470 HA ARG 61 HA ARG 61 -8.465 -4.890 5.593 471 HB2 ARG 61 2HB ARG 61 -10.721 -2.904 6.002 472 HB3 ARG 61 3HB ARG 61 -9.595 -2.860 4.658 473 HG2 ARG 61 2HG ARG 61 -11.499 -3.862 3.774 474 HG3 ARG 61 3HG ARG 61 -10.428 -5.221 4.110 475 HD2 ARG 61 2HD ARG 61 -11.659 -5.799 6.075 476 HD3 ARG 61 3HD ARG 61 -12.587 -4.301 6.007 477 HE ARG 61 HE ARG 61 -12.830 -6.237 3.814 478 HH11 ARG 61 1HH1 ARG 61 -14.232 -4.595 6.498 479 HH12 ARG 61 2HH1 ARG 61 -15.844 -5.050 6.083 480 HH21 ARG 61 1HH2 ARG 61 -14.927 -6.807 3.285 481 HH22 ARG 61 2HH2 ARG 61 -16.231 -6.256 4.280 482 H ARG 62 H ARG 62 -6.501 -4.266 6.319 483 HA ARG 62 HA ARG 62 -6.102 -2.149 8.221 484 HB2 ARG 62 2HB ARG 62 -4.161 -3.655 6.456 485 HB3 ARG 62 3HB ARG 62 -3.683 -2.519 7.707 486 HG2 ARG 62 2HG ARG 62 -5.351 -4.953 8.307 487 HG3 ARG 62 3HG ARG 62 -3.586 -4.999 8.274 488 HD2 ARG 62 2HD ARG 62 -3.656 -3.088 9.961 489 HD3 ARG 62 3HD ARG 62 -5.381 -3.433 10.124 490 HE ARG 62 HE ARG 62 -3.977 -5.830 10.463 491 HH11 ARG 62 1HH1 ARG 62 -4.414 -2.823 12.121 492 HH12 ARG 62 2HH1 ARG 62 -4.060 -3.522 13.663 493 HH21 ARG 62 1HH2 ARG 62 -3.516 -6.672 12.427 494 HH22 ARG 62 2HH2 ARG 62 -3.578 -5.670 13.838 495 H HIS 63 H HIS 63 -5.143 -0.109 7.857 496 HA HIS 63 HA HIS 63 -4.877 0.787 5.065 497 HB2 HIS 63 2HB HIS 63 -6.405 2.316 7.191 498 HB3 HIS 63 3HB HIS 63 -6.095 2.860 5.544 499 HD1 HIS 63 HD1 HIS 63 -7.141 1.072 3.662 500 HD2 HIS 63 HD2 HIS 63 -8.826 1.141 7.459 501 HE1 HIS 63 HE1 HIS 63 -9.405 0.023 3.415 502 HE2 HIS 63 HE2 HIS 63 -10.325 -0.082 5.749 503 H PHE 64 H PHE 64 -2.910 1.607 4.811 504 HA PHE 64 HA PHE 64 -1.639 3.058 7.051 505 HB2 PHE 64 2HB PHE 64 -0.239 1.374 4.953 506 HB3 PHE 64 3HB PHE 64 0.530 2.224 6.288 507 HD1 PHE 64 HD2 PHE 64 -0.076 1.512 8.667 508 HD2 PHE 64 HD1 PHE 64 -1.013 -0.823 5.226 509 HE1 PHE 64 HE2 PHE 64 -0.346 -0.477 10.090 510 HE2 PHE 64 HE1 PHE 64 -1.284 -2.811 6.648 511 HZ PHE 64 HZ PHE 64 -0.949 -2.642 9.080 512 H ILE 65 H ILE 65 -1.574 5.186 6.556 513 HA ILE 65 HA ILE 65 -1.572 6.138 3.830 514 HB ILE 65 HB ILE 65 -1.180 7.709 6.394 515 HG12 ILE 65 2HG1 ILE 65 -3.712 7.189 4.800 516 HG13 ILE 65 3HG1 ILE 65 -3.332 6.502 6.376 517 HG21 ILE 65 1HG2 ILE 65 -0.389 8.909 4.428 518 HG22 ILE 65 2HG2 ILE 65 -1.860 9.652 5.052 519 HG23 ILE 65 3HG2 ILE 65 -1.930 8.631 3.614 520 HD11 ILE 65 3HD1 ILE 65 -3.733 9.432 5.791 521 HD12 ILE 65 1HD1 ILE 65 -3.389 8.721 7.370 522 HD13 ILE 65 2HD1 ILE 65 -4.905 8.352 6.548 523 H ILE 66 H ILE 66 0.136 6.995 2.685 524 HA ILE 66 HA ILE 66 2.790 6.254 3.548 525 HB ILE 66 HB ILE 66 1.923 7.748 1.055 526 HG12 ILE 66 2HG1 ILE 66 2.486 4.800 1.497 527 HG13 ILE 66 3HG1 ILE 66 0.908 5.514 1.186 528 HG21 ILE 66 1HG2 ILE 66 4.535 6.368 1.710 529 HG22 ILE 66 2HG2 ILE 66 4.282 8.108 1.565 530 HG23 ILE 66 3HG2 ILE 66 4.110 7.072 0.150 531 HD11 ILE 66 3HD1 ILE 66 1.777 4.464 -0.805 532 HD12 ILE 66 1HD1 ILE 66 3.241 5.444 -0.716 533 HD13 ILE 66 2HD1 ILE 66 1.684 6.210 -1.035 534 H GLN 67 H GLN 67 3.865 7.513 4.964 535 HA GLN 67 HA GLN 67 3.374 10.305 5.305 536 HB2 GLN 67 2HB GLN 67 5.528 8.464 6.351 537 HB3 GLN 67 3HB GLN 67 5.530 10.186 6.702 538 HG2 GLN 67 2HG GLN 67 4.558 9.055 8.555 539 HG3 GLN 67 3HG GLN 67 3.275 9.926 7.720 540 HE21 GLN 67 1HE2 GLN 67 1.667 8.612 8.553 541 HE22 GLN 67 2HE2 GLN 67 1.447 6.980 8.034 542 H TYR 68 H TYR 68 4.004 11.858 3.972 543 HA TYR 68 HA TYR 68 6.246 11.498 2.156 544 HB2 TYR 68 2HB TYR 68 4.109 12.565 1.432 545 HB3 TYR 68 3HB TYR 68 4.418 13.889 2.545 546 HD1 TYR 68 HD1 TYR 68 6.132 12.093 -0.265 547 HD2 TYR 68 HD2 TYR 68 5.356 15.811 1.658 548 HE1 TYR 68 HE1 TYR 68 7.356 13.264 -2.048 549 HE2 TYR 68 HE2 TYR 68 6.579 16.988 -0.115 550 HH TYR 68 HH TYR 68 8.340 16.499 -1.784 551 H VAL 69 H VAL 69 8.155 11.597 3.260 552 HA VAL 69 HA VAL 69 8.661 13.986 4.939 553 HB VAL 69 HB VAL 69 9.676 11.176 5.460 554 HG11 VAL 69 1HG1 VAL 69 10.044 13.706 7.073 555 HG12 VAL 69 2HG1 VAL 69 11.293 12.868 6.153 556 HG13 VAL 69 3HG1 VAL 69 10.563 12.090 7.557 557 HG21 VAL 69 3HG2 VAL 69 7.288 11.398 5.966 558 HG22 VAL 69 1HG2 VAL 69 7.629 12.802 6.983 559 HG23 VAL 69 2HG2 VAL 69 8.237 11.210 7.441 560 H ASP 70 H ASP 70 10.388 15.155 4.369 561 HA ASP 70 HA ASP 70 12.254 15.877 3.292 562 HB2 ASP 70 2HB ASP 70 13.117 12.979 3.541 563 HB3 ASP 70 3HB ASP 70 14.179 14.344 3.213 564 H ASN 71 H ASN 71 10.036 15.144 1.698 565 HA ASN 71 HA ASN 71 9.385 14.848 -0.446 566 HB2 ASN 71 2HB ASN 71 12.344 15.157 -0.987 567 HB3 ASN 71 3HB ASN 71 11.120 15.072 -2.253 568 HD21 ASN 71 1HD2 ASN 71 12.442 16.990 0.326 569 HD22 ASN 71 2HD2 ASN 71 11.636 18.457 -0.095 570 H MET 72 H MET 72 10.500 12.525 1.282 571 HA MET 72 HA MET 72 10.596 10.532 -0.898 572 HB2 MET 72 2HB MET 72 11.712 10.287 1.909 573 HB3 MET 72 3HB MET 72 11.819 9.067 0.646 574 HG2 MET 72 2HG MET 72 13.207 10.558 -0.694 575 HG3 MET 72 3HG MET 72 13.072 11.808 0.542 576 HE1 MET 72 3HE MET 72 14.956 10.141 3.560 577 HE2 MET 72 1HE MET 72 13.232 10.023 3.206 578 HE3 MET 72 2HE MET 72 14.072 11.561 3.001 579 H TYR 73 H TYR 73 9.403 8.610 -0.646 580 HA TYR 73 HA TYR 73 7.001 8.899 1.004 581 HB2 TYR 73 2HB TYR 73 7.618 6.898 -1.191 582 HB3 TYR 73 3HB TYR 73 6.052 7.153 -0.427 583 HD1 TYR 73 HD2 TYR 73 4.735 9.167 -0.921 584 HD2 TYR 73 HD1 TYR 73 8.456 8.440 -2.856 585 HE1 TYR 73 HE2 TYR 73 4.185 10.866 -2.610 586 HE2 TYR 73 HE1 TYR 73 7.918 10.142 -4.542 587 HH TYR 73 HH TYR 73 5.178 12.253 -4.224 588 H ARG 74 H ARG 74 6.770 7.796 2.871 589 HA ARG 74 HA ARG 74 8.109 5.213 3.237 590 HB2 ARG 74 2HB ARG 74 9.115 5.905 5.362 591 HB3 ARG 74 3HB ARG 74 9.722 6.884 4.034 592 HG2 ARG 74 2HG ARG 74 8.167 8.685 4.663 593 HG3 ARG 74 3HG ARG 74 7.601 7.707 6.018 594 HD2 ARG 74 2HD ARG 74 10.403 8.756 5.602 595 HD3 ARG 74 3HD ARG 74 9.225 9.348 6.774 596 HE ARG 74 HE ARG 74 10.799 6.910 6.942 597 HH11 ARG 74 1HH1 ARG 74 8.196 8.768 8.235 598 HH12 ARG 74 2HH1 ARG 74 8.245 7.977 9.768 599 HH21 ARG 74 1HH2 ARG 74 10.857 5.907 8.905 600 HH22 ARG 74 2HH2 ARG 74 9.747 6.368 10.147 601 H PHE 75 H PHE 75 7.475 4.182 5.346 602 HA PHE 75 HA PHE 75 4.812 5.060 6.278 603 HB2 PHE 75 2HB PHE 75 5.943 2.252 6.122 604 HB3 PHE 75 3HB PHE 75 4.451 2.660 6.958 605 HD1 PHE 75 HD1 PHE 75 2.568 3.704 5.603 606 HD2 PHE 75 HD2 PHE 75 5.930 1.788 3.821 607 HE1 PHE 75 HE1 PHE 75 1.291 3.402 3.523 608 HE2 PHE 75 HE2 PHE 75 4.656 1.486 1.738 609 HZ PHE 75 HZ PHE 75 2.336 2.291 1.587 610 H GLU 76 H GLU 76 6.839 2.592 7.788 611 HA GLU 76 HA GLU 76 7.020 4.288 10.193 612 HB2 GLU 76 2HB GLU 76 5.825 2.048 10.298 613 HB3 GLU 76 3HB GLU 76 7.389 1.289 10.046 614 HG2 GLU 76 2HG GLU 76 8.185 2.522 12.102 615 HG3 GLU 76 3HG GLU 76 6.503 2.959 12.389 616 H GLY 77 H GLY 77 8.934 3.005 7.684 617 HA2 GLY 77 2HA GLY 77 11.395 3.502 9.239 618 HA3 GLY 77 3HA GLY 77 11.224 2.011 8.332 619 H THR 78 H THR 78 12.166 2.000 6.402 620 HA THR 78 HA THR 78 13.654 4.134 5.400 621 HB THR 78 HB THR 78 12.683 1.781 3.757 622 HG1 THR 78 HG1 THR 78 14.905 1.954 5.550 623 HG21 THR 78 3HG2 THR 78 14.796 2.054 2.557 624 HG22 THR 78 1HG2 THR 78 15.228 3.417 3.592 625 HG23 THR 78 2HG2 THR 78 13.857 3.545 2.491 626 H GLY 79 H GLY 79 13.393 5.624 3.763 627 HA2 GLY 79 2HA GLY 79 10.704 5.807 2.527 628 HA3 GLY 79 3HA GLY 79 11.700 7.201 2.917 629 H PHE 80 H PHE 80 10.554 5.739 0.349 630 HA PHE 80 HA PHE 80 13.064 5.727 -1.204 631 HB2 PHE 80 2HB PHE 80 10.388 4.419 -1.708 632 HB3 PHE 80 3HB PHE 80 11.631 4.535 -2.949 633 HD1 PHE 80 HD1 PHE 80 11.049 3.278 0.510 634 HD2 PHE 80 HD2 PHE 80 13.294 2.909 -3.092 635 HE1 PHE 80 HE1 PHE 80 12.101 1.231 1.376 636 HE2 PHE 80 HE2 PHE 80 14.348 0.864 -2.228 637 HZ PHE 80 HZ PHE 80 13.750 0.024 0.009 638 H SER 81 H SER 81 13.002 6.592 -3.400 639 HA SER 81 HA SER 81 12.004 9.256 -3.410 640 HB2 SER 81 2HB SER 81 14.093 8.664 -4.554 641 HB3 SER 81 3HB SER 81 13.201 7.650 -5.686 642 HG SER 81 HG SER 81 13.619 10.325 -5.729 643 H ASN 82 H ASN 82 10.862 6.271 -4.903 644 HA ASN 82 HA ASN 82 8.458 7.722 -5.839 645 HB2 ASN 82 2HB ASN 82 9.877 5.420 -7.202 646 HB3 ASN 82 3HB ASN 82 8.315 6.062 -7.702 647 HD21 ASN 82 1HD2 ASN 82 11.728 6.656 -7.524 648 HD22 ASN 82 2HD2 ASN 82 11.751 7.997 -8.614 649 H ILE 83 H ILE 83 6.470 6.705 -5.648 650 HA ILE 83 HA ILE 83 6.061 4.977 -3.473 651 HB ILE 83 HB ILE 83 4.198 5.647 -5.760 652 HG12 ILE 83 2HG1 ILE 83 4.405 6.782 -2.952 653 HG13 ILE 83 3HG1 ILE 83 4.952 7.584 -4.420 654 HG21 ILE 83 1HG2 ILE 83 3.554 4.360 -3.100 655 HG22 ILE 83 2HG2 ILE 83 3.476 3.581 -4.681 656 HG23 ILE 83 3HG2 ILE 83 2.372 4.899 -4.295 657 HD11 ILE 83 3HD1 ILE 83 2.645 7.642 -5.236 658 HD12 ILE 83 1HD1 ILE 83 2.827 8.471 -3.689 659 HD13 ILE 83 2HD1 ILE 83 2.110 6.861 -3.747 660 HA PRO 84 HA PRO 84 5.201 1.426 -6.811 661 HB2 PRO 84 2HB PRO 84 6.905 1.675 -9.000 662 HB3 PRO 84 3HB PRO 84 5.183 2.067 -8.999 663 HG2 PRO 84 2HG PRO 84 7.541 3.884 -8.674 664 HG3 PRO 84 3HG PRO 84 6.042 4.140 -9.591 665 HD2 PRO 84 2HD PRO 84 6.406 5.296 -7.209 666 HD3 PRO 84 3HD PRO 84 4.813 4.660 -7.674 667 H GLN 85 H GLN 85 8.331 3.003 -6.408 668 HA GLN 85 HA GLN 85 9.854 0.574 -6.312 669 HB2 GLN 85 2HB GLN 85 10.540 3.376 -5.385 670 HB3 GLN 85 3HB GLN 85 11.684 2.044 -5.495 671 HG2 GLN 85 2HG GLN 85 10.144 3.177 -7.830 672 HG3 GLN 85 3HG GLN 85 11.795 3.621 -7.404 673 HE21 GLN 85 1HE2 GLN 85 9.746 1.085 -8.633 674 HE22 GLN 85 2HE2 GLN 85 11.012 0.113 -9.281 675 H LEU 86 H LEU 86 8.520 2.788 -3.878 676 HA LEU 86 HA LEU 86 9.454 1.575 -1.551 677 HB2 LEU 86 2HB LEU 86 8.296 3.721 -1.581 678 HB3 LEU 86 3HB LEU 86 6.814 2.944 -2.098 679 HG LEU 86 HG LEU 86 6.705 1.756 0.082 680 HD11 LEU 86 1HD1 LEU 86 9.091 1.730 0.606 681 HD12 LEU 86 2HD1 LEU 86 8.151 2.439 1.918 682 HD13 LEU 86 3HD1 LEU 86 9.068 3.481 0.827 683 HD21 LEU 86 3HD2 LEU 86 6.882 4.769 0.225 684 HD22 LEU 86 1HD2 LEU 86 6.107 3.738 1.430 685 HD23 LEU 86 2HD2 LEU 86 5.465 3.813 -0.209 686 H ILE 87 H ILE 87 6.440 0.919 -3.330 687 HA ILE 87 HA ILE 87 5.572 -1.197 -1.642 688 HB ILE 87 HB ILE 87 4.774 -0.596 -4.500 689 HG12 ILE 87 2HG1 ILE 87 4.364 1.296 -2.978 690 HG13 ILE 87 3HG1 ILE 87 2.850 0.571 -3.505 691 HG21 ILE 87 1HG2 ILE 87 4.194 -2.883 -3.843 692 HG22 ILE 87 2HG2 ILE 87 2.749 -1.888 -4.018 693 HG23 ILE 87 3HG2 ILE 87 3.369 -2.269 -2.411 694 HD11 ILE 87 3HD1 ILE 87 4.182 0.135 -0.837 695 HD12 ILE 87 1HD1 ILE 87 2.662 -0.592 -1.365 696 HD13 ILE 87 2HD1 ILE 87 2.778 1.154 -1.153 697 H ASP 88 H ASP 88 7.056 -1.267 -4.923 698 HA ASP 88 HA ASP 88 7.191 -4.017 -5.275 699 HB2 ASP 88 2HB ASP 88 7.717 -2.502 -7.084 700 HB3 ASP 88 3HB ASP 88 9.104 -1.864 -6.209 701 H HIS 89 H HIS 89 9.642 -1.904 -3.777 702 HA HIS 89 HA HIS 89 11.572 -3.855 -3.272 703 HB2 HIS 89 2HB HIS 89 11.831 -1.342 -3.053 704 HB3 HIS 89 3HB HIS 89 11.037 -1.470 -1.487 705 HD1 HIS 89 HD1 HIS 89 12.445 -2.288 0.473 706 HD2 HIS 89 HD2 HIS 89 14.419 -2.526 -3.176 707 HE1 HIS 89 HE1 HIS 89 14.834 -2.802 1.033 708 HE2 HIS 89 HE2 HIS 89 16.023 -2.859 -1.178 709 H HIS 90 H HIS 90 8.873 -2.772 -1.175 710 HA HIS 90 HA HIS 90 9.474 -4.550 0.964 711 HB2 HIS 90 2HB HIS 90 7.015 -3.020 0.162 712 HB3 HIS 90 3HB HIS 90 6.920 -4.214 1.454 713 HD1 HIS 90 HD1 HIS 90 8.247 -0.820 0.675 714 HD2 HIS 90 HD2 HIS 90 8.323 -3.544 3.809 715 HE1 HIS 90 HE1 HIS 90 9.094 0.464 2.658 716 HE2 HIS 90 HE2 HIS 90 9.288 -1.247 4.495 717 H TYR 91 H TYR 91 7.229 -4.852 -1.780 718 HA TYR 91 HA TYR 91 6.052 -7.289 -1.122 719 HB2 TYR 91 2HB TYR 91 5.220 -5.806 -2.885 720 HB3 TYR 91 3HB TYR 91 6.648 -6.131 -3.858 721 HD1 TYR 91 HD1 TYR 91 3.452 -7.499 -2.649 722 HD2 TYR 91 HD2 TYR 91 6.859 -8.212 -5.102 723 HE1 TYR 91 HE1 TYR 91 2.275 -9.364 -3.733 724 HE2 TYR 91 HE2 TYR 91 5.688 -10.081 -6.192 725 HH TYR 91 HH TYR 91 3.805 -11.665 -5.624 726 H THR 92 H THR 92 8.809 -6.759 -3.334 727 HA THR 92 HA THR 92 9.263 -9.483 -3.894 728 HB THR 92 HB THR 92 11.476 -8.748 -4.764 729 HG1 THR 92 HG1 THR 92 10.949 -6.066 -4.409 730 HG21 THR 92 3HG2 THR 92 10.596 -7.237 -6.499 731 HG22 THR 92 1HG2 THR 92 9.144 -6.976 -5.534 732 HG23 THR 92 2HG2 THR 92 9.492 -8.577 -6.192 733 H THR 93 H THR 93 10.740 -7.343 -1.468 734 HA THR 93 HA THR 93 12.536 -9.378 -0.491 735 HB THR 93 HB THR 93 13.075 -7.826 1.326 736 HG1 THR 93 HG1 THR 93 10.922 -6.275 0.267 737 HG21 THR 93 3HG2 THR 93 13.919 -5.952 -0.008 738 HG22 THR 93 1HG2 THR 93 12.842 -6.396 -1.332 739 HG23 THR 93 2HG2 THR 93 14.153 -7.477 -0.860 740 H LYS 94 H LYS 94 9.246 -9.017 -0.177 741 HA LYS 94 HA LYS 94 7.640 -9.881 1.180 742 HB2 LYS 94 2HB LYS 94 9.145 -11.925 0.758 743 HB3 LYS 94 3HB LYS 94 9.778 -11.656 2.374 744 HG2 LYS 94 2HG LYS 94 8.083 -13.355 2.461 745 HG3 LYS 94 3HG LYS 94 7.483 -11.908 3.277 746 HD2 LYS 94 2HD LYS 94 6.221 -11.298 1.252 747 HD3 LYS 94 3HD LYS 94 6.816 -12.751 0.446 748 HE2 LYS 94 2HE LYS 94 5.092 -12.677 2.924 749 HE3 LYS 94 3HE LYS 94 4.540 -13.058 1.295 750 HZ1 LYS 94 3HZ LYS 94 6.073 -14.971 1.318 751 HZ2 LYS 94 1HZ LYS 94 4.879 -15.072 2.511 752 HZ3 LYS 94 2HZ LYS 94 6.454 -14.630 2.929 753 H GLN 95 H GLN 95 9.109 -7.573 2.079 754 HA GLN 95 HA GLN 95 9.443 -7.859 4.955 755 HB2 GLN 95 2HB GLN 95 10.088 -5.762 2.941 756 HB3 GLN 95 3HB GLN 95 9.811 -5.227 4.592 757 HG2 GLN 95 2HG GLN 95 11.796 -7.354 3.806 758 HG3 GLN 95 3HG GLN 95 12.190 -5.651 4.050 759 HE21 GLN 95 1HE2 GLN 95 13.105 -8.044 5.489 760 HE22 GLN 95 2HE2 GLN 95 12.731 -7.760 7.148 761 H VAL 96 H VAL 96 8.417 -6.461 6.483 762 HA VAL 96 HA VAL 96 5.568 -6.269 6.014 763 HB VAL 96 HB VAL 96 5.377 -5.763 8.381 764 HG11 VAL 96 1HG1 VAL 96 7.401 -7.946 7.856 765 HG12 VAL 96 2HG1 VAL 96 5.645 -8.105 7.796 766 HG13 VAL 96 3HG1 VAL 96 6.449 -7.778 9.331 767 HG21 VAL 96 3HG2 VAL 96 7.294 -4.254 8.611 768 HG22 VAL 96 1HG2 VAL 96 8.399 -5.618 8.417 769 HG23 VAL 96 2HG2 VAL 96 7.345 -5.530 9.828 770 H ILE 97 H ILE 97 4.297 -4.370 6.433 771 HA ILE 97 HA ILE 97 5.429 -1.928 5.419 772 HB ILE 97 HB ILE 97 2.690 -2.457 6.608 773 HG12 ILE 97 2HG1 ILE 97 3.117 -3.783 4.584 774 HG13 ILE 97 3HG1 ILE 97 1.936 -2.519 4.253 775 HG21 ILE 97 1HG2 ILE 97 3.701 -0.080 5.034 776 HG22 ILE 97 2HG2 ILE 97 3.231 -0.092 6.732 777 HG23 ILE 97 3HG2 ILE 97 2.019 -0.365 5.483 778 HD11 ILE 97 3HD1 ILE 97 3.484 -2.722 2.420 779 HD12 ILE 97 1HD1 ILE 97 4.854 -2.485 3.502 780 HD13 ILE 97 2HD1 ILE 97 3.715 -1.167 3.218 781 H THR 98 H THR 98 3.787 -2.654 8.524 782 HA THR 98 HA THR 98 5.647 -0.801 9.883 783 HB THR 98 HB THR 98 3.848 -0.092 11.397 784 HG1 THR 98 HG1 THR 98 1.630 -0.650 10.643 785 HG21 THR 98 3HG2 THR 98 4.269 1.265 9.393 786 HG22 THR 98 1HG2 THR 98 2.565 1.305 9.846 787 HG23 THR 98 2HG2 THR 98 3.094 0.305 8.495 788 H LYS 99 H LYS 99 6.437 -1.489 11.858 789 HA LYS 99 HA LYS 99 6.296 -4.299 12.382 790 HB2 LYS 99 2HB LYS 99 7.590 -2.055 13.944 791 HB3 LYS 99 3HB LYS 99 7.765 -3.760 14.340 792 HG2 LYS 99 2HG LYS 99 8.655 -2.431 11.779 793 HG3 LYS 99 3HG LYS 99 9.698 -2.936 13.110 794 HD2 LYS 99 2HD LYS 99 7.987 -4.770 11.419 795 HD3 LYS 99 3HD LYS 99 9.729 -4.551 11.252 796 HE2 LYS 99 2HE LYS 99 8.334 -5.599 13.719 797 HE3 LYS 99 3HE LYS 99 9.136 -6.597 12.509 798 HZ1 LYS 99 3HZ LYS 99 10.598 -6.262 14.351 799 HZ2 LYS 99 1HZ LYS 99 10.420 -4.580 14.270 800 HZ3 LYS 99 2HZ LYS 99 11.211 -5.407 13.029 801 H LYS 100 H LYS 100 4.640 -1.514 13.666 802 HA LYS 100 HA LYS 100 3.712 -2.771 16.059 803 HB2 LYS 100 2HB LYS 100 2.799 -0.309 14.569 804 HB3 LYS 100 3HB LYS 100 1.955 -0.891 15.996 805 HG2 LYS 100 2HG LYS 100 3.448 0.822 16.698 806 HG3 LYS 100 3HG LYS 100 4.111 -0.715 17.256 807 HD2 LYS 100 2HD LYS 100 5.612 -0.720 15.260 808 HD3 LYS 100 3HD LYS 100 5.008 0.888 14.854 809 HE2 LYS 100 2HE LYS 100 5.824 1.704 17.046 810 HE3 LYS 100 3HE LYS 100 6.491 0.105 17.368 811 HZ1 LYS 100 3HZ LYS 100 7.826 0.398 15.291 812 HZ2 LYS 100 1HZ LYS 100 8.234 1.463 16.544 813 HZ3 LYS 100 2HZ LYS 100 7.302 2.002 15.242 814 H SER 101 H SER 101 2.806 -3.165 12.793 815 HA SER 101 HA SER 101 0.227 -4.377 13.607 816 HB2 SER 101 2HB SER 101 -0.061 -2.500 12.040 817 HB3 SER 101 3HB SER 101 0.993 -3.301 10.877 818 HG SER 101 HG SER 101 -1.399 -4.456 11.879 819 H GLY 102 H GLY 102 3.009 -4.795 11.427 820 HA2 GLY 102 2HA GLY 102 4.128 -6.732 10.843 821 HA3 GLY 102 3HA GLY 102 3.027 -7.637 11.865 822 H VAL 103 H VAL 103 2.386 -5.585 9.018 823 HA VAL 103 HA VAL 103 1.016 -7.874 7.760 824 HB VAL 103 HB VAL 103 0.725 -4.928 7.123 825 HG11 VAL 103 1HG1 VAL 103 -1.232 -5.636 5.812 826 HG12 VAL 103 2HG1 VAL 103 -0.851 -7.322 6.162 827 HG13 VAL 103 3HG1 VAL 103 0.259 -6.349 5.197 828 HG21 VAL 103 3HG2 VAL 103 -0.140 -5.463 9.352 829 HG22 VAL 103 1HG2 VAL 103 -1.120 -6.761 8.667 830 HG23 VAL 103 2HG2 VAL 103 -1.450 -5.081 8.237 831 H VAL 104 H VAL 104 1.746 -8.713 5.885 832 HA VAL 104 HA VAL 104 4.004 -7.385 4.513 833 HB VAL 104 HB VAL 104 3.249 -10.318 4.397 834 HG11 VAL 104 1HG1 VAL 104 5.739 -8.866 3.489 835 HG12 VAL 104 2HG1 VAL 104 4.500 -9.570 2.448 836 HG13 VAL 104 3HG1 VAL 104 5.501 -10.615 3.453 837 HG21 VAL 104 3HG2 VAL 104 5.120 -10.736 5.908 838 HG22 VAL 104 1HG2 VAL 104 3.923 -9.691 6.672 839 HG23 VAL 104 2HG2 VAL 104 5.418 -9.002 6.042 840 H LEU 105 H LEU 105 4.072 -7.506 2.152 841 HA LEU 105 HA LEU 105 1.406 -7.292 0.966 842 HB2 LEU 105 2HB LEU 105 4.121 -6.616 -0.186 843 HB3 LEU 105 3HB LEU 105 2.578 -6.277 -0.950 844 HG LEU 105 HG LEU 105 3.580 -5.066 1.636 845 HD11 LEU 105 1HD1 LEU 105 3.196 -3.817 -1.086 846 HD12 LEU 105 2HD1 LEU 105 4.746 -4.242 -0.357 847 HD13 LEU 105 3HD1 LEU 105 3.740 -2.995 0.378 848 HD21 LEU 105 3HD2 LEU 105 1.148 -5.332 1.662 849 HD22 LEU 105 1HD2 LEU 105 1.032 -4.521 0.099 850 HD23 LEU 105 2HD2 LEU 105 1.595 -3.632 1.517 851 H LEU 106 H LEU 106 0.527 -9.013 -0.008 852 HA LEU 106 HA LEU 106 2.152 -10.577 -1.867 853 HB2 LEU 106 2HB LEU 106 1.151 -12.712 -1.093 854 HB3 LEU 106 3HB LEU 106 2.235 -11.981 0.068 855 HG LEU 106 HG LEU 106 -0.768 -11.704 0.272 856 HD11 LEU 106 1HD1 LEU 106 -0.696 -13.516 1.932 857 HD12 LEU 106 2HD1 LEU 106 1.000 -13.803 1.532 858 HD13 LEU 106 3HD1 LEU 106 -0.252 -14.076 0.319 859 HD21 LEU 106 3HD2 LEU 106 1.455 -11.370 2.294 860 HD22 LEU 106 1HD2 LEU 106 -0.271 -11.224 2.630 861 HD23 LEU 106 2HD2 LEU 106 0.515 -10.074 1.553 862 H ASN 107 H ASN 107 0.778 -11.977 -3.296 863 HA ASN 107 HA ASN 107 -0.547 -11.614 -5.151 864 HB2 ASN 107 2HB ASN 107 -2.890 -12.439 -4.606 865 HB3 ASN 107 3HB ASN 107 -1.542 -13.487 -4.203 866 HD21 ASN 107 1HD2 ASN 107 -2.632 -10.699 -2.299 867 HD22 ASN 107 2HD2 ASN 107 -3.134 -11.636 -0.948 868 HA PRO 108 HA PRO 108 -2.025 -7.288 -4.592 869 HB2 PRO 108 2HB PRO 108 -1.132 -6.395 -6.998 870 HB3 PRO 108 3HB PRO 108 -0.092 -6.519 -5.575 871 HG2 PRO 108 2HG PRO 108 -0.369 -8.407 -7.889 872 HG3 PRO 108 3HG PRO 108 1.103 -7.835 -7.082 873 HD2 PRO 108 2HD PRO 108 0.006 -10.263 -6.565 874 HD3 PRO 108 3HD PRO 108 0.882 -9.329 -5.335 875 H ILE 109 H ILE 109 -3.840 -6.261 -5.418 876 HA ILE 109 HA ILE 109 -5.487 -7.851 -7.256 877 HB ILE 109 HB ILE 109 -6.254 -5.483 -5.527 878 HG12 ILE 109 2HG1 ILE 109 -5.642 -7.427 -4.171 879 HG13 ILE 109 3HG1 ILE 109 -7.380 -7.173 -4.108 880 HG21 ILE 109 1HG2 ILE 109 -7.983 -7.380 -7.128 881 HG22 ILE 109 2HG2 ILE 109 -7.706 -5.672 -7.472 882 HG23 ILE 109 3HG2 ILE 109 -8.578 -6.147 -6.013 883 HD11 ILE 109 3HD1 ILE 109 -5.943 -9.239 -5.755 884 HD12 ILE 109 1HD1 ILE 109 -7.687 -8.973 -5.743 885 HD13 ILE 109 2HD1 ILE 109 -6.867 -9.521 -4.280 886 HA PRO 110 HA PRO 110 -4.166 -5.017 -10.472 887 HB2 PRO 110 2HB PRO 110 -5.633 -6.091 -12.500 888 HB3 PRO 110 3HB PRO 110 -4.152 -6.832 -11.877 889 HG2 PRO 110 2HG PRO 110 -7.012 -7.480 -11.227 890 HG3 PRO 110 3HG PRO 110 -5.674 -8.587 -11.593 891 HD2 PRO 110 2HD PRO 110 -6.466 -8.110 -9.062 892 HD3 PRO 110 3HD PRO 110 -4.759 -8.386 -9.469 893 H LYS 111 H LYS 111 -5.039 -3.417 -11.908 894 HA LYS 111 HA LYS 111 -7.656 -2.387 -11.067 895 HB2 LYS 111 2HB LYS 111 -6.750 -0.282 -12.354 896 HB3 LYS 111 3HB LYS 111 -6.190 -0.648 -10.732 897 HG2 LYS 111 2HG LYS 111 -4.290 -0.022 -11.994 898 HG3 LYS 111 3HG LYS 111 -4.193 -1.763 -11.755 899 HD2 LYS 111 2HD LYS 111 -3.583 -1.480 -13.986 900 HD3 LYS 111 3HD LYS 111 -5.278 -1.939 -14.087 901 HE2 LYS 111 2HE LYS 111 -4.325 0.920 -14.128 902 HE3 LYS 111 3HE LYS 111 -4.554 -0.044 -15.582 903 HZ1 LYS 111 3HZ LYS 111 -6.664 0.631 -13.605 904 HZ2 LYS 111 1HZ LYS 111 -6.883 -0.303 -15.000 905 HZ3 LYS 111 2HZ LYS 111 -6.474 1.331 -15.128 906 H ASP 112 H ASP 112 -9.145 -1.540 -12.583 907 HA ASP 112 HA ASP 112 -9.018 -2.847 -15.229 908 HB2 ASP 112 2HB ASP 112 -11.470 -2.889 -15.156 909 HB3 ASP 112 3HB ASP 112 -10.798 -3.692 -13.739 910 H LYS 113 H LYS 113 -10.825 -1.633 -16.699 911 HA LYS 113 HA LYS 113 -10.741 1.269 -16.296 912 HB2 LYS 113 2HB LYS 113 -10.315 1.680 -18.696 913 HB3 LYS 113 3HB LYS 113 -8.960 0.910 -17.893 914 HG2 LYS 113 2HG LYS 113 -10.964 -0.649 -19.508 915 HG3 LYS 113 3HG LYS 113 -9.555 0.120 -20.235 916 HD2 LYS 113 2HD LYS 113 -8.209 -1.176 -18.436 917 HD3 LYS 113 3HD LYS 113 -9.669 -2.155 -18.275 918 HE2 LYS 113 2HE LYS 113 -8.132 -3.206 -19.836 919 HE3 LYS 113 3HE LYS 113 -9.568 -2.651 -20.698 920 HZ1 LYS 113 3HZ LYS 113 -7.470 -2.139 -21.860 921 HZ2 LYS 113 1HZ LYS 113 -7.006 -1.153 -20.567 922 HZ3 LYS 113 2HZ LYS 113 -8.359 -0.750 -21.494 923 H LYS 114 H LYS 114 -12.756 -0.691 -15.809 924 HA LYS 114 HA LYS 114 -14.739 -0.800 -17.820 925 HB2 LYS 114 2HB LYS 114 -14.902 -1.030 -14.813 926 HB3 LYS 114 3HB LYS 114 -16.282 -1.290 -15.868 927 HG2 LYS 114 2HG LYS 114 -15.337 -3.233 -16.808 928 HG3 LYS 114 3HG LYS 114 -13.734 -2.860 -16.166 929 HD2 LYS 114 2HD LYS 114 -14.917 -4.676 -14.928 930 HD3 LYS 114 3HD LYS 114 -14.464 -3.304 -13.921 931 HE2 LYS 114 2HE LYS 114 -16.698 -4.016 -13.342 932 HE3 LYS 114 3HE LYS 114 -16.775 -2.435 -14.116 933 HZ1 LYS 114 3HZ LYS 114 -18.498 -3.795 -14.997 934 HZ2 LYS 114 1HZ LYS 114 -17.427 -5.057 -15.334 935 HZ3 LYS 114 2HZ LYS 114 -17.333 -3.619 -16.209 936 H TRP 115 H TRP 115 -15.632 0.997 -18.703 937 HA TRP 115 HA TRP 115 -16.417 3.259 -17.050 938 HB2 TRP 115 2HB TRP 115 -17.327 4.183 -19.185 939 HB3 TRP 115 3HB TRP 115 -15.624 3.759 -19.280 940 HD1 TRP 115 HD1 TRP 115 -14.952 1.709 -20.871 941 HE1 TRP 115 HE1 TRP 115 -16.188 0.571 -22.820 942 HE3 TRP 115 HE3 TRP 115 -19.672 3.483 -19.999 943 HZ2 TRP 115 HZ2 TRP 115 -18.809 0.438 -23.849 944 HZ3 TRP 115 HZ3 TRP 115 -21.485 2.805 -21.516 945 HH2 TRP 115 HH2 TRP 115 -21.061 1.312 -23.404 946 H ILE 116 H ILE 116 -17.578 0.349 -17.084 947 HA ILE 116 HA ILE 116 -20.423 0.899 -17.555 948 HB ILE 116 HB ILE 116 -19.112 -1.764 -16.950 949 HG12 ILE 116 2HG1 ILE 116 -19.843 -0.671 -19.683 950 HG13 ILE 116 3HG1 ILE 116 -18.207 -0.639 -19.028 951 HG21 ILE 116 1HG2 ILE 116 -21.154 -2.692 -17.974 952 HG22 ILE 116 2HG2 ILE 116 -21.796 -1.059 -18.152 953 HG23 ILE 116 3HG2 ILE 116 -21.506 -1.724 -16.542 954 HD11 ILE 116 3HD1 ILE 116 -18.483 -2.499 -20.537 955 HD12 ILE 116 1HD1 ILE 116 -19.851 -3.098 -19.597 956 HD13 ILE 116 2HD1 ILE 116 -18.232 -3.086 -18.891 Start of MODEL 6 1 H1 MET 1 1H MET 1 5.112 -16.964 -14.623 2 H2 MET 1 2H MET 1 6.007 -15.545 -14.832 3 H3 MET 1 3H MET 1 6.777 -17.049 -14.906 4 HA MET 1 HA MET 1 5.606 -17.634 -16.895 5 HB2 MET 1 2HB MET 1 4.076 -16.105 -17.988 6 HB3 MET 1 3HB MET 1 3.531 -16.394 -16.342 7 HG2 MET 1 2HG MET 1 4.439 -14.251 -15.640 8 HG3 MET 1 3HG MET 1 5.054 -13.964 -17.266 9 HE1 MET 1 3HE MET 1 1.851 -14.250 -15.001 10 HE2 MET 1 1HE MET 1 1.620 -15.560 -16.160 11 HE3 MET 1 2HE MET 1 0.563 -14.149 -16.199 12 H GLY 2 H GLY 2 7.731 -15.362 -15.750 13 HA2 GLY 2 2HA GLY 2 8.307 -13.776 -18.012 14 HA3 GLY 2 3HA GLY 2 9.371 -14.046 -16.645 15 H HIS 3 H HIS 3 8.868 -14.619 -19.938 16 HA HIS 3 HA HIS 3 11.306 -16.292 -19.996 17 HB2 HIS 3 2HB HIS 3 9.384 -17.539 -20.893 18 HB3 HIS 3 3HB HIS 3 9.058 -16.234 -22.031 19 HD1 HIS 3 HD1 HIS 3 10.260 -16.327 -24.228 20 HD2 HIS 3 HD2 HIS 3 11.874 -18.936 -21.431 21 HE1 HIS 3 HE1 HIS 3 11.934 -17.706 -25.485 22 HE2 HIS 3 HE2 HIS 3 12.719 -19.418 -23.825 23 H HIS 4 H HIS 4 12.707 -14.528 -20.037 24 HA HIS 4 HA HIS 4 13.217 -13.135 -22.431 25 HB2 HIS 4 2HB HIS 4 12.533 -10.822 -21.631 26 HB3 HIS 4 3HB HIS 4 11.202 -11.886 -22.074 27 HD1 HIS 4 HD1 HIS 4 13.087 -11.286 -18.797 28 HD2 HIS 4 HD2 HIS 4 9.215 -11.571 -20.280 29 HE1 HIS 4 HE1 HIS 4 11.584 -10.997 -16.812 30 HE2 HIS 4 HE2 HIS 4 9.253 -10.988 -17.760 31 H HIS 5 H HIS 5 15.013 -11.628 -22.235 32 HA HIS 5 HA HIS 5 16.584 -11.995 -19.791 33 HB2 HIS 5 2HB HIS 5 17.255 -10.860 -22.508 34 HB3 HIS 5 3HB HIS 5 18.362 -10.748 -21.144 35 HD1 HIS 5 HD1 HIS 5 17.398 -12.943 -23.869 36 HD2 HIS 5 HD2 HIS 5 19.143 -13.375 -20.127 37 HE1 HIS 5 HE1 HIS 5 18.525 -15.183 -23.908 38 HE2 HIS 5 HE2 HIS 5 19.735 -15.326 -21.708 39 H HIS 6 H HIS 6 16.402 -9.086 -21.846 40 HA HIS 6 HA HIS 6 16.431 -6.874 -21.324 41 HB2 HIS 6 2HB HIS 6 14.505 -7.847 -19.204 42 HB3 HIS 6 3HB HIS 6 14.835 -6.142 -19.497 43 HD1 HIS 6 HD1 HIS 6 13.771 -5.063 -21.556 44 HD2 HIS 6 HD2 HIS 6 13.012 -9.138 -21.248 45 HE1 HIS 6 HE1 HIS 6 11.989 -5.542 -23.249 46 HE2 HIS 6 HE2 HIS 6 11.668 -8.032 -23.164 47 H HIS 7 H HIS 7 18.686 -8.159 -20.405 48 HA HIS 7 HA HIS 7 19.316 -7.898 -17.714 49 HB2 HIS 7 2HB HIS 7 21.681 -7.818 -18.387 50 HB3 HIS 7 3HB HIS 7 20.793 -9.058 -19.258 51 HD1 HIS 7 HD1 HIS 7 20.714 -8.889 -21.784 52 HD2 HIS 7 HD2 HIS 7 22.503 -5.591 -19.990 53 HE1 HIS 7 HE1 HIS 7 21.793 -7.610 -23.654 54 HE2 HIS 7 HE2 HIS 7 22.906 -5.648 -22.548 55 H HIS 8 H HIS 8 19.139 -5.409 -20.162 56 HA HIS 8 HA HIS 8 20.018 -3.351 -18.289 57 HB2 HIS 8 2HB HIS 8 20.594 -3.175 -20.710 58 HB3 HIS 8 3HB HIS 8 18.881 -3.060 -21.090 59 HD1 HIS 8 HD1 HIS 8 18.532 -0.720 -21.814 60 HD2 HIS 8 HD2 HIS 8 20.933 -0.939 -18.430 61 HE1 HIS 8 HE1 HIS 8 18.942 1.655 -21.126 62 HE2 HIS 8 HE2 HIS 8 20.269 1.496 -19.001 63 H SER 9 H SER 9 18.420 -3.758 -16.684 64 HA SER 9 HA SER 9 15.649 -3.985 -17.264 65 HB2 SER 9 2HB SER 9 16.625 -5.034 -15.285 66 HB3 SER 9 3HB SER 9 17.018 -3.451 -14.616 67 HG SER 9 HG SER 9 15.026 -4.438 -13.829 68 H HIS 10 H HIS 10 13.926 -2.663 -16.535 69 HA HIS 10 HA HIS 10 14.428 0.157 -16.002 70 HB2 HIS 10 2HB HIS 10 14.438 0.076 -18.451 71 HB3 HIS 10 3HB HIS 10 12.900 -0.782 -18.451 72 HD1 HIS 10 HD1 HIS 10 10.772 0.615 -18.171 73 HD2 HIS 10 HD2 HIS 10 14.263 2.841 -17.818 74 HE1 HIS 10 HE1 HIS 10 10.047 3.015 -18.222 75 HE2 HIS 10 HE2 HIS 10 12.186 4.338 -18.174 76 H MET 11 H MET 11 12.967 0.862 -14.536 77 HA MET 11 HA MET 11 10.857 -0.948 -13.715 78 HB2 MET 11 2HB MET 11 10.553 0.572 -11.816 79 HB3 MET 11 3HB MET 11 12.239 0.116 -12.014 80 HG2 MET 11 2HG MET 11 12.728 2.261 -13.033 81 HG3 MET 11 3HG MET 11 11.029 2.720 -12.929 82 HE1 MET 11 3HE MET 11 11.702 4.987 -11.672 83 HE2 MET 11 1HE MET 11 13.403 4.533 -11.795 84 HE3 MET 11 2HE MET 11 12.731 5.032 -10.243 85 H LYS 12 H LYS 12 8.674 -0.231 -13.256 86 HA LYS 12 HA LYS 12 7.612 1.547 -15.335 87 HB2 LYS 12 2HB LYS 12 6.391 -0.618 -13.620 88 HB3 LYS 12 3HB LYS 12 5.384 0.524 -14.495 89 HG2 LYS 12 2HG LYS 12 7.447 -1.230 -15.822 90 HG3 LYS 12 3HG LYS 12 5.748 -1.672 -15.638 91 HD2 LYS 12 2HD LYS 12 5.174 0.477 -16.837 92 HD3 LYS 12 3HD LYS 12 6.892 0.649 -17.198 93 HE2 LYS 12 2HE LYS 12 6.884 -1.409 -18.453 94 HE3 LYS 12 3HE LYS 12 5.222 -1.748 -17.969 95 HZ1 LYS 12 3HZ LYS 12 6.125 0.504 -19.683 96 HZ2 LYS 12 1HZ LYS 12 4.531 0.252 -19.174 97 HZ3 LYS 12 2HZ LYS 12 5.285 -0.871 -20.195 98 HA PRO 13 HA PRO 13 6.853 4.754 -12.252 99 HB2 PRO 13 2HB PRO 13 5.008 6.173 -13.732 100 HB3 PRO 13 3HB PRO 13 6.757 6.323 -13.915 101 HG2 PRO 13 2HG PRO 13 4.812 4.728 -15.539 102 HG3 PRO 13 3HG PRO 13 6.188 5.704 -16.082 103 HD2 PRO 13 2HD PRO 13 6.335 3.023 -15.927 104 HD3 PRO 13 3HD PRO 13 7.733 4.053 -15.553 105 H LEU 14 H LEU 14 4.720 5.880 -11.403 106 HA LEU 14 HA LEU 14 3.345 3.844 -10.033 107 HB2 LEU 14 2HB LEU 14 3.758 6.120 -9.163 108 HB3 LEU 14 3HB LEU 14 2.579 6.755 -10.295 109 HG LEU 14 HG LEU 14 0.798 5.470 -9.173 110 HD11 LEU 14 1HD1 LEU 14 1.236 4.331 -7.057 111 HD12 LEU 14 2HD1 LEU 14 2.963 4.641 -7.240 112 HD13 LEU 14 3HD1 LEU 14 2.131 3.584 -8.380 113 HD21 LEU 14 3HD2 LEU 14 2.444 7.166 -7.293 114 HD22 LEU 14 1HD2 LEU 14 0.739 6.754 -7.090 115 HD23 LEU 14 2HD2 LEU 14 1.248 7.755 -8.452 116 H ALA 15 H ALA 15 2.217 5.958 -12.675 117 HA ALA 15 HA ALA 15 -0.452 5.076 -12.728 118 HB1 ALA 15 3HB ALA 15 1.205 6.200 -14.986 119 HB2 ALA 15 1HB ALA 15 0.267 7.128 -13.815 120 HB3 ALA 15 2HB ALA 15 -0.555 6.075 -14.966 121 H GLU 16 H GLU 16 2.399 3.486 -13.836 122 HA GLU 16 HA GLU 16 1.032 1.753 -15.729 123 HB2 GLU 16 2HB GLU 16 3.867 1.739 -14.672 124 HB3 GLU 16 3HB GLU 16 3.261 0.634 -15.898 125 HG2 GLU 16 2HG GLU 16 3.239 3.627 -16.224 126 HG3 GLU 16 3HG GLU 16 4.583 2.606 -16.733 127 H GLN 17 H GLN 17 1.177 1.824 -12.427 128 HA GLN 17 HA GLN 17 1.594 -1.022 -11.968 129 HB2 GLN 17 2HB GLN 17 0.899 1.163 -9.995 130 HB3 GLN 17 3HB GLN 17 1.465 -0.456 -9.604 131 HG2 GLN 17 2HG GLN 17 3.055 1.631 -11.098 132 HG3 GLN 17 3HG GLN 17 3.222 1.253 -9.385 133 HE21 GLN 17 1HE2 GLN 17 5.170 1.083 -11.561 134 HE22 GLN 17 2HE2 GLN 17 5.726 -0.551 -11.554 135 H ASP 18 H ASP 18 0.024 -2.509 -11.687 136 HA ASP 18 HA ASP 18 -2.714 -1.808 -12.140 137 HB2 ASP 18 2HB ASP 18 -3.092 -4.287 -11.729 138 HB3 ASP 18 3HB ASP 18 -1.996 -3.877 -13.044 139 H TRP 19 H TRP 19 -0.820 -2.575 -9.284 140 HA TRP 19 HA TRP 19 -3.042 -2.736 -7.499 141 HB2 TRP 19 2HB TRP 19 -1.253 -2.378 -5.712 142 HB3 TRP 19 3HB TRP 19 -1.073 -3.794 -6.740 143 HD1 TRP 19 HD1 TRP 19 1.078 -3.955 -8.239 144 HE1 TRP 19 HE1 TRP 19 3.239 -2.564 -8.392 145 HE3 TRP 19 HE3 TRP 19 -0.379 0.131 -5.510 146 HZ2 TRP 19 HZ2 TRP 19 4.200 -0.073 -7.472 147 HZ3 TRP 19 HZ3 TRP 19 1.226 1.972 -5.203 148 HH2 TRP 19 HH2 TRP 19 3.466 1.870 -6.163 149 H TYR 20 H TYR 20 -1.753 -0.137 -9.166 150 HA TYR 20 HA TYR 20 -2.552 1.867 -7.193 151 HB2 TYR 20 2HB TYR 20 -0.543 2.346 -8.470 152 HB3 TYR 20 3HB TYR 20 -1.402 2.111 -9.987 153 HD1 TYR 20 HD2 TYR 20 -1.700 4.209 -6.890 154 HD2 TYR 20 HD1 TYR 20 -2.031 4.023 -11.132 155 HE1 TYR 20 HE2 TYR 20 -2.232 6.607 -6.952 156 HE2 TYR 20 HE1 TYR 20 -2.563 6.421 -11.201 157 HH TYR 20 HH TYR 20 -3.507 8.147 -9.661 158 H HIS 21 H HIS 21 -4.666 2.336 -7.026 159 HA HIS 21 HA HIS 21 -6.417 1.873 -9.364 160 HB2 HIS 21 2HB HIS 21 -7.044 1.973 -6.405 161 HB3 HIS 21 3HB HIS 21 -8.262 1.805 -7.664 162 HD1 HIS 21 HD1 HIS 21 -9.028 -0.541 -7.675 163 HD2 HIS 21 HD2 HIS 21 -4.939 -0.281 -7.014 164 HE1 HIS 21 HE1 HIS 21 -8.223 -2.910 -7.505 165 HE2 HIS 21 HE2 HIS 21 -5.728 -2.720 -7.306 166 H GLY 22 H GLY 22 -4.850 4.440 -8.355 167 HA2 GLY 22 2HA GLY 22 -5.200 6.713 -8.502 168 HA3 GLY 22 3HA GLY 22 -6.741 6.357 -9.271 169 H ALA 23 H ALA 23 -7.963 7.890 -8.157 170 HA ALA 23 HA ALA 23 -8.035 7.688 -5.221 171 HB1 ALA 23 3HB ALA 23 -7.671 9.923 -6.121 172 HB2 ALA 23 1HB ALA 23 -9.210 9.834 -5.263 173 HB3 ALA 23 2HB ALA 23 -9.181 9.818 -7.027 174 H ILE 24 H ILE 24 -9.355 5.968 -4.777 175 HA ILE 24 HA ILE 24 -12.118 6.045 -5.839 176 HB ILE 24 HB ILE 24 -12.252 3.615 -5.434 177 HG12 ILE 24 2HG1 ILE 24 -9.286 3.795 -4.813 178 HG13 ILE 24 3HG1 ILE 24 -10.548 3.497 -3.622 179 HG21 ILE 24 1HG2 ILE 24 -11.631 4.436 -7.651 180 HG22 ILE 24 2HG2 ILE 24 -10.834 2.902 -7.303 181 HG23 ILE 24 3HG2 ILE 24 -9.927 4.411 -7.194 182 HD11 ILE 24 3HD1 ILE 24 -9.432 1.447 -4.230 183 HD12 ILE 24 1HD1 ILE 24 -9.816 1.708 -5.931 184 HD13 ILE 24 2HD1 ILE 24 -11.110 1.407 -4.770 185 HA PRO 25 HA PRO 25 -13.839 6.651 -1.778 186 HB2 PRO 25 2HB PRO 25 -15.702 4.412 -2.447 187 HB3 PRO 25 3HB PRO 25 -16.064 6.053 -1.897 188 HG2 PRO 25 2HG PRO 25 -16.429 5.383 -4.443 189 HG3 PRO 25 3HG PRO 25 -15.761 6.970 -4.017 190 HD2 PRO 25 2HD PRO 25 -14.353 4.540 -5.061 191 HD3 PRO 25 3HD PRO 25 -14.079 6.253 -5.443 192 H ARG 26 H ARG 26 -13.865 5.777 0.312 193 HA ARG 26 HA ARG 26 -11.997 3.790 0.918 194 HB2 ARG 26 2HB ARG 26 -12.722 5.544 2.502 195 HB3 ARG 26 3HB ARG 26 -14.286 4.753 2.653 196 HG2 ARG 26 2HG ARG 26 -13.178 2.768 3.596 197 HG3 ARG 26 3HG ARG 26 -11.620 3.585 3.465 198 HD2 ARG 26 2HD ARG 26 -12.428 3.756 5.737 199 HD3 ARG 26 3HD ARG 26 -12.457 5.350 4.985 200 HE ARG 26 HE ARG 26 -14.961 4.557 4.564 201 HH11 ARG 26 1HH1 ARG 26 -13.034 4.361 7.424 202 HH12 ARG 26 2HH1 ARG 26 -14.400 4.510 8.473 203 HH21 ARG 26 1HH2 ARG 26 -16.683 4.732 5.921 204 HH22 ARG 26 2HH2 ARG 26 -16.442 4.721 7.632 205 H ILE 27 H ILE 27 -15.535 3.566 0.725 206 HA ILE 27 HA ILE 27 -15.877 0.949 1.626 207 HB ILE 27 HB ILE 27 -17.449 2.428 -0.500 208 HG12 ILE 27 2HG1 ILE 27 -17.943 2.062 2.473 209 HG13 ILE 27 3HG1 ILE 27 -17.411 3.547 1.694 210 HG21 ILE 27 1HG2 ILE 27 -19.263 0.844 -0.063 211 HG22 ILE 27 2HG2 ILE 27 -18.225 -0.049 1.049 212 HG23 ILE 27 3HG2 ILE 27 -17.828 0.013 -0.669 213 HD11 ILE 27 3HD1 ILE 27 -19.530 3.650 0.468 214 HD12 ILE 27 1HD1 ILE 27 -19.770 3.645 2.215 215 HD13 ILE 27 2HD1 ILE 27 -20.061 2.178 1.281 216 H GLU 28 H GLU 28 -15.453 2.045 -1.750 217 HA GLU 28 HA GLU 28 -15.390 -0.437 -3.010 218 HB2 GLU 28 2HB GLU 28 -13.836 2.063 -3.734 219 HB3 GLU 28 3HB GLU 28 -14.120 0.698 -4.809 220 HG2 GLU 28 2HG GLU 28 -16.261 2.456 -3.619 221 HG3 GLU 28 3HG GLU 28 -15.618 2.593 -5.256 222 H ALA 29 H ALA 29 -12.734 1.375 -1.518 223 HA ALA 29 HA ALA 29 -10.619 -0.307 -2.299 224 HB1 ALA 29 3HB ALA 29 -10.257 1.944 -1.443 225 HB2 ALA 29 1HB ALA 29 -9.340 0.765 -0.502 226 HB3 ALA 29 2HB ALA 29 -10.831 1.447 0.149 227 H GLN 30 H GLN 30 -12.767 -0.471 0.524 228 HA GLN 30 HA GLN 30 -11.295 -2.743 1.590 229 HB2 GLN 30 2HB GLN 30 -12.930 -2.667 3.461 230 HB3 GLN 30 3HB GLN 30 -12.031 -1.182 3.229 231 HG2 GLN 30 2HG GLN 30 -14.067 -0.269 3.544 232 HG3 GLN 30 3HG GLN 30 -14.213 -0.560 1.815 233 HE21 GLN 30 1HE2 GLN 30 -15.600 -2.165 1.102 234 HE22 GLN 30 2HE2 GLN 30 -16.742 -2.941 2.137 235 H GLU 31 H GLU 31 -14.156 -2.223 -0.315 236 HA GLU 31 HA GLU 31 -15.528 -4.630 0.133 237 HB2 GLU 31 2HB GLU 31 -15.390 -2.759 -2.218 238 HB3 GLU 31 3HB GLU 31 -16.300 -4.257 -2.332 239 HG2 GLU 31 2HG GLU 31 -16.767 -2.114 -0.263 240 HG3 GLU 31 3HG GLU 31 -17.690 -2.298 -1.754 241 H LEU 32 H LEU 32 -12.794 -3.940 -2.013 242 HA LEU 32 HA LEU 32 -12.855 -6.532 -3.254 243 HB2 LEU 32 2HB LEU 32 -10.732 -5.890 -4.285 244 HB3 LEU 32 3HB LEU 32 -11.941 -4.637 -4.457 245 HG LEU 32 HG LEU 32 -10.751 -3.643 -2.305 246 HD11 LEU 32 1HD1 LEU 32 -8.385 -4.042 -2.248 247 HD12 LEU 32 2HD1 LEU 32 -8.489 -5.147 -3.615 248 HD13 LEU 32 3HD1 LEU 32 -9.224 -5.581 -2.073 249 HD21 LEU 32 3HD2 LEU 32 -10.976 -2.522 -4.470 250 HD22 LEU 32 1HD2 LEU 32 -9.588 -3.418 -5.084 251 HD23 LEU 32 2HD2 LEU 32 -9.379 -2.260 -3.771 252 H LEU 33 H LEU 33 -11.352 -5.194 -0.411 253 HA LEU 33 HA LEU 33 -9.432 -7.261 0.028 254 HB2 LEU 33 2HB LEU 33 -10.739 -5.387 2.017 255 HB3 LEU 33 3HB LEU 33 -9.298 -6.343 2.310 256 HG LEU 33 HG LEU 33 -9.509 -4.124 0.263 257 HD11 LEU 33 1HD1 LEU 33 -8.181 -4.129 2.977 258 HD12 LEU 33 2HD1 LEU 33 -9.644 -3.247 2.537 259 HD13 LEU 33 3HD1 LEU 33 -8.106 -2.827 1.786 260 HD21 LEU 33 3HD2 LEU 33 -7.135 -5.716 1.232 261 HD22 LEU 33 1HD2 LEU 33 -7.068 -4.333 0.138 262 HD23 LEU 33 2HD2 LEU 33 -7.883 -5.815 -0.364 263 H LYS 34 H LYS 34 -10.322 -9.317 -0.037 264 HA LYS 34 HA LYS 34 -12.490 -9.903 1.900 265 HB2 LYS 34 2HB LYS 34 -13.364 -11.555 0.274 266 HB3 LYS 34 3HB LYS 34 -13.412 -9.904 -0.329 267 HG2 LYS 34 2HG LYS 34 -11.215 -10.431 -1.507 268 HG3 LYS 34 3HG LYS 34 -11.541 -12.120 -1.117 269 HD2 LYS 34 2HD LYS 34 -12.353 -11.772 -3.321 270 HD3 LYS 34 3HD LYS 34 -13.775 -11.835 -2.278 271 HE2 LYS 34 2HE LYS 34 -12.463 -9.252 -3.131 272 HE3 LYS 34 3HE LYS 34 -13.760 -10.017 -4.046 273 HZ1 LYS 34 3HZ LYS 34 -14.540 -8.268 -2.524 274 HZ2 LYS 34 1HZ LYS 34 -13.984 -9.164 -1.206 275 HZ3 LYS 34 2HZ LYS 34 -15.227 -9.770 -2.178 276 H LYS 35 H LYS 35 -9.472 -10.932 0.514 277 HA LYS 35 HA LYS 35 -9.360 -13.103 2.498 278 HB2 LYS 35 2HB LYS 35 -7.882 -14.317 0.752 279 HB3 LYS 35 3HB LYS 35 -9.629 -14.361 0.557 280 HG2 LYS 35 2HG LYS 35 -9.583 -12.818 -1.214 281 HG3 LYS 35 3HG LYS 35 -7.930 -12.320 -0.850 282 HD2 LYS 35 2HD LYS 35 -8.691 -15.093 -1.780 283 HD3 LYS 35 3HD LYS 35 -8.153 -13.802 -2.858 284 HE2 LYS 35 2HE LYS 35 -6.570 -14.930 -0.544 285 HE3 LYS 35 3HE LYS 35 -6.316 -15.321 -2.244 286 HZ1 LYS 35 3HZ LYS 35 -4.789 -13.604 -1.341 287 HZ2 LYS 35 1HZ LYS 35 -6.115 -12.566 -1.153 288 HZ3 LYS 35 2HZ LYS 35 -5.666 -13.098 -2.697 289 H GLN 36 H GLN 36 -6.900 -13.925 2.530 290 HA GLN 36 HA GLN 36 -5.554 -11.763 3.800 291 HB2 GLN 36 2HB GLN 36 -5.438 -14.130 4.550 292 HB3 GLN 36 3HB GLN 36 -4.480 -14.512 3.128 293 HG2 GLN 36 2HG GLN 36 -3.049 -14.267 5.059 294 HG3 GLN 36 3HG GLN 36 -2.728 -12.975 3.905 295 HE21 GLN 36 1HE2 GLN 36 -5.535 -12.986 5.967 296 HE22 GLN 36 2HE2 GLN 36 -5.028 -11.687 6.981 297 H GLY 37 H GLY 37 -3.973 -10.434 3.108 298 HA2 GLY 37 2HA GLY 37 -1.918 -10.011 1.984 299 HA3 GLY 37 3HA GLY 37 -2.338 -11.228 0.793 300 H ASP 38 H ASP 38 -5.101 -10.008 0.553 301 HA ASP 38 HA ASP 38 -4.763 -8.554 -1.759 302 HB2 ASP 38 2HB ASP 38 -7.004 -8.134 0.238 303 HB3 ASP 38 3HB ASP 38 -7.055 -7.766 -1.482 304 H PHE 39 H PHE 39 -3.846 -6.600 -2.161 305 HA PHE 39 HA PHE 39 -4.302 -4.404 -0.292 306 HB2 PHE 39 2HB PHE 39 -1.992 -3.799 -0.056 307 HB3 PHE 39 3HB PHE 39 -2.162 -5.485 0.409 308 HD1 PHE 39 HD1 PHE 39 -1.331 -7.274 -1.120 309 HD2 PHE 39 HD2 PHE 39 -0.601 -3.148 -1.879 310 HE1 PHE 39 HE1 PHE 39 0.477 -7.883 -2.672 311 HE2 PHE 39 HE2 PHE 39 1.206 -3.751 -3.436 312 HZ PHE 39 HZ PHE 39 1.748 -6.121 -3.835 313 H LEU 40 H LEU 40 -3.981 -2.320 -1.134 314 HA LEU 40 HA LEU 40 -3.069 -1.947 -3.867 315 HB2 LEU 40 2HB LEU 40 -5.046 -0.906 -4.715 316 HB3 LEU 40 3HB LEU 40 -5.499 -2.483 -4.103 317 HG LEU 40 HG LEU 40 -5.869 0.012 -2.445 318 HD11 LEU 40 1HD1 LEU 40 -8.189 0.092 -3.212 319 HD12 LEU 40 2HD1 LEU 40 -7.852 -1.195 -4.370 320 HD13 LEU 40 3HD1 LEU 40 -7.060 0.371 -4.539 321 HD21 LEU 40 3HD2 LEU 40 -5.989 -2.069 -1.224 322 HD22 LEU 40 1HD2 LEU 40 -7.134 -2.723 -2.394 323 HD23 LEU 40 2HD2 LEU 40 -7.605 -1.375 -1.363 324 H VAL 41 H VAL 41 -2.588 0.248 -4.372 325 HA VAL 41 HA VAL 41 -2.631 2.091 -2.062 326 HB VAL 41 HB VAL 41 -0.804 2.126 -4.484 327 HG11 VAL 41 1HG1 VAL 41 -0.839 3.949 -2.071 328 HG12 VAL 41 2HG1 VAL 41 -1.309 4.397 -3.709 329 HG13 VAL 41 3HG1 VAL 41 0.364 3.967 -3.359 330 HG21 VAL 41 3HG2 VAL 41 -0.265 0.337 -2.900 331 HG22 VAL 41 1HG2 VAL 41 -0.213 1.509 -1.582 332 HG23 VAL 41 2HG2 VAL 41 0.974 1.593 -2.883 333 H ARG 42 H ARG 42 -3.849 3.872 -2.184 334 HA ARG 42 HA ARG 42 -4.821 4.771 -4.833 335 HB2 ARG 42 2HB ARG 42 -6.993 5.211 -3.922 336 HB3 ARG 42 3HB ARG 42 -6.568 3.569 -3.451 337 HG2 ARG 42 2HG ARG 42 -6.018 4.284 -1.220 338 HG3 ARG 42 3HG ARG 42 -6.233 5.977 -1.668 339 HD2 ARG 42 2HD ARG 42 -8.635 5.413 -2.206 340 HD3 ARG 42 3HD ARG 42 -8.348 3.841 -1.453 341 HE ARG 42 HE ARG 42 -7.520 5.699 0.395 342 HH11 ARG 42 1HH1 ARG 42 -10.484 5.085 -1.256 343 HH12 ARG 42 2HH1 ARG 42 -11.445 5.665 0.058 344 HH21 ARG 42 1HH2 ARG 42 -8.782 6.433 2.053 345 HH22 ARG 42 2HH2 ARG 42 -10.502 6.380 1.912 346 H GLU 43 H GLU 43 -5.409 7.067 -4.926 347 HA GLU 43 HA GLU 43 -4.020 8.742 -2.950 348 HB2 GLU 43 2HB GLU 43 -3.606 9.235 -5.342 349 HB3 GLU 43 3HB GLU 43 -5.327 9.515 -5.582 350 HG2 GLU 43 2HG GLU 43 -5.179 11.375 -3.910 351 HG3 GLU 43 3HG GLU 43 -3.432 11.142 -3.888 352 H SER 44 H SER 44 -5.143 10.316 -1.735 353 HA SER 44 HA SER 44 -7.816 9.664 -1.018 354 HB2 SER 44 2HB SER 44 -6.305 10.628 0.627 355 HB3 SER 44 3HB SER 44 -6.142 12.095 -0.335 356 HG SER 44 HG SER 44 -7.649 12.483 1.260 357 H HIS 45 H HIS 45 -9.692 10.341 -1.856 358 HA HIS 45 HA HIS 45 -9.764 11.675 -4.331 359 HB2 HIS 45 2HB HIS 45 -11.446 10.008 -3.471 360 HB3 HIS 45 3HB HIS 45 -12.096 11.280 -2.444 361 HD1 HIS 45 HD1 HIS 45 -13.710 12.908 -3.496 362 HD2 HIS 45 HD2 HIS 45 -11.871 10.446 -6.293 363 HE1 HIS 45 HE1 HIS 45 -14.943 13.293 -5.642 364 HE2 HIS 45 HE2 HIS 45 -13.959 11.633 -7.253 365 H GLY 46 H GLY 46 -9.179 13.770 -4.545 366 HA2 GLY 46 2HA GLY 46 -9.781 16.066 -4.507 367 HA3 GLY 46 3HA GLY 46 -10.672 15.794 -3.021 368 H LYS 47 H LYS 47 -7.739 14.278 -2.686 369 HA LYS 47 HA LYS 47 -6.481 16.652 -1.446 370 HB2 LYS 47 2HB LYS 47 -7.486 15.118 0.215 371 HB3 LYS 47 3HB LYS 47 -6.497 13.811 -0.407 372 HG2 LYS 47 2HG LYS 47 -5.587 14.682 1.659 373 HG3 LYS 47 3HG LYS 47 -4.476 14.979 0.322 374 HD2 LYS 47 2HD LYS 47 -5.003 17.277 0.255 375 HD3 LYS 47 3HD LYS 47 -6.450 17.061 1.244 376 HE2 LYS 47 2HE LYS 47 -4.508 18.093 2.441 377 HE3 LYS 47 3HE LYS 47 -5.146 16.636 3.196 378 HZ1 LYS 47 3HZ LYS 47 -2.701 16.718 3.110 379 HZ2 LYS 47 1HZ LYS 47 -2.766 16.696 1.421 380 HZ3 LYS 47 2HZ LYS 47 -3.338 15.373 2.309 381 HA PRO 48 HA PRO 48 -3.753 15.151 -4.794 382 HB2 PRO 48 2HB PRO 48 -2.243 17.441 -4.937 383 HB3 PRO 48 3HB PRO 48 -3.808 17.234 -5.731 384 HG2 PRO 48 2HG PRO 48 -3.167 18.571 -3.121 385 HG3 PRO 48 3HG PRO 48 -4.242 19.116 -4.425 386 HD2 PRO 48 2HD PRO 48 -5.215 17.965 -2.204 387 HD3 PRO 48 3HD PRO 48 -5.951 17.669 -3.794 388 H GLY 49 H GLY 49 -2.192 13.731 -4.360 389 HA2 GLY 49 2HA GLY 49 0.076 13.229 -3.980 390 HA3 GLY 49 3HA GLY 49 0.219 14.667 -2.986 391 H GLU 50 H GLU 50 -2.478 13.384 -1.771 392 HA GLU 50 HA GLU 50 -1.007 12.016 0.357 393 HB2 GLU 50 2HB GLU 50 -2.661 13.758 0.946 394 HB3 GLU 50 3HB GLU 50 -3.932 12.791 0.207 395 HG2 GLU 50 2HG GLU 50 -3.621 11.050 1.865 396 HG3 GLU 50 3HG GLU 50 -2.261 11.925 2.568 397 H TYR 51 H TYR 51 -0.526 9.981 -0.331 398 HA TYR 51 HA TYR 51 -2.647 8.315 -1.478 399 HB2 TYR 51 2HB TYR 51 0.344 7.911 -1.275 400 HB3 TYR 51 3HB TYR 51 -0.762 6.695 -1.908 401 HD1 TYR 51 HD2 TYR 51 0.433 10.182 -2.466 402 HD2 TYR 51 HD1 TYR 51 -1.420 6.745 -4.165 403 HE1 TYR 51 HE2 TYR 51 0.589 11.206 -4.695 404 HE2 TYR 51 HE1 TYR 51 -1.258 7.757 -6.398 405 HH TYR 51 HH TYR 51 0.696 10.318 -7.129 406 H VAL 52 H VAL 52 -3.409 6.463 -0.544 407 HA VAL 52 HA VAL 52 -2.405 5.766 2.144 408 HB VAL 52 HB VAL 52 -5.323 5.898 1.326 409 HG11 VAL 52 1HG1 VAL 52 -4.069 5.118 3.968 410 HG12 VAL 52 2HG1 VAL 52 -4.924 4.044 2.859 411 HG13 VAL 52 3HG1 VAL 52 -5.796 5.338 3.681 412 HG21 VAL 52 3HG2 VAL 52 -5.503 7.698 2.986 413 HG22 VAL 52 1HG2 VAL 52 -4.362 8.119 1.707 414 HG23 VAL 52 2HG2 VAL 52 -3.767 7.599 3.285 415 H LEU 53 H LEU 53 -1.987 3.677 2.439 416 HA LEU 53 HA LEU 53 -2.591 1.733 0.361 417 HB2 LEU 53 2HB LEU 53 -0.353 1.761 1.303 418 HB3 LEU 53 3HB LEU 53 -0.993 1.566 2.923 419 HG LEU 53 HG LEU 53 -1.835 -0.704 2.252 420 HD11 LEU 53 1HD1 LEU 53 -0.186 -0.213 -0.228 421 HD12 LEU 53 2HD1 LEU 53 -1.940 -0.387 -0.156 422 HD13 LEU 53 3HD1 LEU 53 -0.903 -1.754 0.250 423 HD21 LEU 53 3HD2 LEU 53 0.345 -1.792 2.380 424 HD22 LEU 53 1HD2 LEU 53 0.248 -0.434 3.499 425 HD23 LEU 53 2HD2 LEU 53 1.142 -0.266 1.988 426 H SER 54 H SER 54 -4.017 0.048 0.533 427 HA SER 54 HA SER 54 -5.348 -0.404 3.139 428 HB2 SER 54 2HB SER 54 -6.678 -0.376 0.409 429 HB3 SER 54 3HB SER 54 -7.458 -0.907 1.897 430 HG SER 54 HG SER 54 -6.546 1.683 1.213 431 H VAL 55 H VAL 55 -5.201 -2.442 3.832 432 HA VAL 55 HA VAL 55 -4.841 -4.633 1.913 433 HB VAL 55 HB VAL 55 -2.576 -3.947 2.470 434 HG11 VAL 55 1HG1 VAL 55 -1.720 -4.016 4.766 435 HG12 VAL 55 2HG1 VAL 55 -3.338 -4.380 5.362 436 HG13 VAL 55 3HG1 VAL 55 -3.010 -2.828 4.591 437 HG21 VAL 55 3HG2 VAL 55 -3.341 -6.523 3.861 438 HG22 VAL 55 1HG2 VAL 55 -1.707 -6.071 3.378 439 HG23 VAL 55 2HG2 VAL 55 -2.947 -6.332 2.153 440 H TYR 56 H TYR 56 -5.581 -6.625 2.610 441 HA TYR 56 HA TYR 56 -7.219 -6.633 5.033 442 HB2 TYR 56 2HB TYR 56 -8.042 -7.507 2.807 443 HB3 TYR 56 3HB TYR 56 -6.902 -8.834 2.976 444 HD1 TYR 56 HD1 TYR 56 -10.041 -7.380 4.213 445 HD2 TYR 56 HD2 TYR 56 -7.307 -10.626 4.591 446 HE1 TYR 56 HE1 TYR 56 -11.729 -8.649 5.475 447 HE2 TYR 56 HE2 TYR 56 -8.988 -11.901 5.851 448 HH TYR 56 HH TYR 56 -10.977 -11.568 7.151 449 H SER 57 H SER 57 -6.138 -7.058 6.871 450 HA SER 57 HA SER 57 -4.424 -9.435 7.022 451 HB2 SER 57 2HB SER 57 -2.898 -7.530 6.555 452 HB3 SER 57 3HB SER 57 -3.495 -6.720 8.002 453 HG SER 57 HG SER 57 -2.541 -8.242 9.269 454 H ASP 58 H ASP 58 -4.388 -10.433 9.016 455 HA ASP 58 HA ASP 58 -5.105 -11.034 11.090 456 HB2 ASP 58 2HB ASP 58 -5.349 -8.034 11.441 457 HB3 ASP 58 3HB ASP 58 -5.564 -9.191 12.751 458 H GLY 59 H GLY 59 -6.969 -10.781 8.844 459 HA2 GLY 59 2HA GLY 59 -9.200 -11.293 8.533 460 HA3 GLY 59 3HA GLY 59 -9.431 -11.181 10.268 461 H GLN 60 H GLN 60 -7.992 -8.334 9.431 462 HA GLN 60 HA GLN 60 -10.606 -7.002 9.044 463 HB2 GLN 60 2HB GLN 60 -8.291 -6.034 10.740 464 HB3 GLN 60 3HB GLN 60 -9.806 -5.181 10.490 465 HG2 GLN 60 2HG GLN 60 -11.003 -7.049 11.580 466 HG3 GLN 60 3HG GLN 60 -9.453 -7.829 11.889 467 HE21 GLN 60 1HE2 GLN 60 -11.478 -6.896 13.775 468 HE22 GLN 60 2HE2 GLN 60 -10.668 -5.778 14.816 469 H ARG 61 H ARG 61 -10.592 -4.965 7.953 470 HA ARG 61 HA ARG 61 -8.575 -4.695 5.902 471 HB2 ARG 61 2HB ARG 61 -11.093 -3.165 6.554 472 HB3 ARG 61 3HB ARG 61 -9.962 -2.585 5.344 473 HG2 ARG 61 2HG ARG 61 -11.608 -3.724 4.142 474 HG3 ARG 61 3HG ARG 61 -10.243 -4.835 4.202 475 HD2 ARG 61 2HD ARG 61 -11.326 -6.079 6.006 476 HD3 ARG 61 3HD ARG 61 -12.681 -4.944 5.989 477 HE ARG 61 HE ARG 61 -11.985 -6.725 3.736 478 HH11 ARG 61 1HH1 ARG 61 -14.323 -5.054 5.641 479 HH12 ARG 61 2HH1 ARG 61 -15.656 -5.661 4.721 480 HH21 ARG 61 1HH2 ARG 61 -13.687 -7.460 2.550 481 HH22 ARG 61 2HH2 ARG 61 -15.299 -6.992 2.968 482 H ARG 62 H ARG 62 -6.639 -3.927 6.573 483 HA ARG 62 HA ARG 62 -6.522 -1.708 8.493 484 HB2 ARG 62 2HB ARG 62 -4.421 -3.593 7.406 485 HB3 ARG 62 3HB ARG 62 -4.029 -2.215 8.427 486 HG2 ARG 62 2HG ARG 62 -5.958 -4.372 9.257 487 HG3 ARG 62 3HG ARG 62 -4.231 -4.436 9.604 488 HD2 ARG 62 2HD ARG 62 -5.931 -2.077 10.399 489 HD3 ARG 62 3HD ARG 62 -5.770 -3.499 11.428 490 HE ARG 62 HE ARG 62 -3.374 -3.042 11.502 491 HH11 ARG 62 1HH1 ARG 62 -5.430 -0.433 10.563 492 HH12 ARG 62 2HH1 ARG 62 -4.266 0.766 11.000 493 HH21 ARG 62 1HH2 ARG 62 -1.933 -1.503 12.091 494 HH22 ARG 62 2HH2 ARG 62 -2.304 0.173 11.867 495 H HIS 63 H HIS 63 -5.748 0.296 8.013 496 HA HIS 63 HA HIS 63 -5.037 0.839 5.192 497 HB2 HIS 63 2HB HIS 63 -6.643 2.652 7.013 498 HB3 HIS 63 3HB HIS 63 -6.274 2.928 5.313 499 HD1 HIS 63 HD1 HIS 63 -7.542 1.398 3.572 500 HD2 HIS 63 HD2 HIS 63 -8.833 1.034 7.504 501 HE1 HIS 63 HE1 HIS 63 -9.763 0.242 3.449 502 HE2 HIS 63 HE2 HIS 63 -10.606 0.218 5.812 503 H PHE 64 H PHE 64 -3.033 1.627 5.010 504 HA PHE 64 HA PHE 64 -1.867 3.106 7.286 505 HB2 PHE 64 2HB PHE 64 -0.412 1.555 5.126 506 HB3 PHE 64 3HB PHE 64 0.327 2.352 6.512 507 HD1 PHE 64 HD2 PHE 64 -0.153 1.493 8.821 508 HD2 PHE 64 HD1 PHE 64 -1.314 -0.629 5.306 509 HE1 PHE 64 HE2 PHE 64 -0.436 -0.559 10.150 510 HE2 PHE 64 HE1 PHE 64 -1.595 -2.675 6.636 511 HZ PHE 64 HZ PHE 64 -1.157 -2.643 9.058 512 H ILE 65 H ILE 65 -1.721 5.245 6.934 513 HA ILE 65 HA ILE 65 -1.857 6.369 4.283 514 HB ILE 65 HB ILE 65 -1.309 7.738 6.933 515 HG12 ILE 65 2HG1 ILE 65 -3.896 7.426 5.377 516 HG13 ILE 65 3HG1 ILE 65 -3.496 6.594 6.875 517 HG21 ILE 65 1HG2 ILE 65 -0.537 9.099 5.075 518 HG22 ILE 65 2HG2 ILE 65 -2.006 9.800 5.752 519 HG23 ILE 65 3HG2 ILE 65 -2.078 8.888 4.244 520 HD11 ILE 65 3HD1 ILE 65 -3.447 8.737 8.048 521 HD12 ILE 65 1HD1 ILE 65 -5.003 8.451 7.268 522 HD13 ILE 65 2HD1 ILE 65 -3.847 9.567 6.543 523 H ILE 66 H ILE 66 -0.210 7.268 3.075 524 HA ILE 66 HA ILE 66 2.509 6.556 3.829 525 HB ILE 66 HB ILE 66 1.476 7.871 1.300 526 HG12 ILE 66 2HG1 ILE 66 2.223 4.989 1.879 527 HG13 ILE 66 3HG1 ILE 66 0.600 5.599 1.580 528 HG21 ILE 66 1HG2 ILE 66 3.663 7.262 0.343 529 HG22 ILE 66 2HG2 ILE 66 4.187 6.693 1.930 530 HG23 ILE 66 3HG2 ILE 66 3.817 8.400 1.682 531 HD11 ILE 66 3HD1 ILE 66 2.865 5.599 -0.405 532 HD12 ILE 66 1HD1 ILE 66 1.221 6.165 -0.701 533 HD13 ILE 66 2HD1 ILE 66 1.521 4.461 -0.364 534 H GLN 67 H GLN 67 3.614 7.924 5.116 535 HA GLN 67 HA GLN 67 3.045 10.758 5.166 536 HB2 GLN 67 2HB GLN 67 5.168 9.114 6.565 537 HB3 GLN 67 3HB GLN 67 4.952 10.844 6.801 538 HG2 GLN 67 2HG GLN 67 3.880 9.765 8.609 539 HG3 GLN 67 3HG GLN 67 2.608 10.362 7.548 540 HE21 GLN 67 1HE2 GLN 67 1.095 8.906 8.277 541 HE22 GLN 67 2HE2 GLN 67 1.172 7.222 7.916 542 H TYR 68 H TYR 68 3.888 12.214 3.826 543 HA TYR 68 HA TYR 68 6.151 11.528 2.134 544 HB2 TYR 68 2HB TYR 68 4.053 12.740 1.343 545 HB3 TYR 68 3HB TYR 68 4.642 14.151 2.212 546 HD1 TYR 68 HD1 TYR 68 5.912 11.648 -0.266 547 HD2 TYR 68 HD2 TYR 68 5.798 15.727 0.955 548 HE1 TYR 68 HE1 TYR 68 7.204 12.276 -2.262 549 HE2 TYR 68 HE2 TYR 68 7.089 16.363 -1.039 550 HH TYR 68 HH TYR 68 7.462 14.429 -3.681 551 H VAL 69 H VAL 69 8.039 11.596 3.274 552 HA VAL 69 HA VAL 69 8.731 14.123 4.651 553 HB VAL 69 HB VAL 69 9.431 11.360 5.685 554 HG11 VAL 69 1HG1 VAL 69 10.167 12.558 7.706 555 HG12 VAL 69 2HG1 VAL 69 9.833 14.094 6.906 556 HG13 VAL 69 3HG1 VAL 69 11.090 13.029 6.279 557 HG21 VAL 69 3HG2 VAL 69 7.350 13.305 6.705 558 HG22 VAL 69 1HG2 VAL 69 7.842 11.818 7.515 559 HG23 VAL 69 2HG2 VAL 69 7.040 11.743 5.946 560 H ASP 70 H ASP 70 10.697 14.942 4.137 561 HA ASP 70 HA ASP 70 12.623 15.283 2.979 562 HB2 ASP 70 2HB ASP 70 12.980 12.360 3.686 563 HB3 ASP 70 3HB ASP 70 14.233 13.306 2.888 564 H ASN 71 H ASN 71 10.295 14.765 1.440 565 HA ASN 71 HA ASN 71 9.597 14.360 -0.687 566 HB2 ASN 71 2HB ASN 71 12.571 14.169 -1.214 567 HB3 ASN 71 3HB ASN 71 11.347 14.156 -2.479 568 HD21 ASN 71 1HD2 ASN 71 12.940 16.063 -0.059 569 HD22 ASN 71 2HD2 ASN 71 12.383 17.596 -0.619 570 H MET 72 H MET 72 10.378 12.090 1.268 571 HA MET 72 HA MET 72 10.392 9.888 -0.698 572 HB2 MET 72 2HB MET 72 11.249 9.839 2.206 573 HB3 MET 72 3HB MET 72 11.306 8.476 1.095 574 HG2 MET 72 2HG MET 72 12.938 9.665 -0.283 575 HG3 MET 72 3HG MET 72 12.878 11.031 0.834 576 HE1 MET 72 3HE MET 72 16.412 9.338 1.458 577 HE2 MET 72 1HE MET 72 15.601 10.852 1.058 578 HE3 MET 72 2HE MET 72 15.543 9.493 -0.066 579 H TYR 73 H TYR 73 8.926 8.224 -0.503 580 HA TYR 73 HA TYR 73 6.553 8.730 1.132 581 HB2 TYR 73 2HB TYR 73 7.050 6.623 -0.996 582 HB3 TYR 73 3HB TYR 73 5.501 6.985 -0.242 583 HD1 TYR 73 HD2 TYR 73 4.336 9.114 -0.758 584 HD2 TYR 73 HD1 TYR 73 7.922 7.994 -2.766 585 HE1 TYR 73 HE2 TYR 73 3.871 10.778 -2.505 586 HE2 TYR 73 HE1 TYR 73 7.470 9.655 -4.517 587 HH TYR 73 HH TYR 73 5.564 10.862 -5.457 588 H ARG 74 H ARG 74 6.306 7.734 3.068 589 HA ARG 74 HA ARG 74 7.514 5.079 3.465 590 HB2 ARG 74 2HB ARG 74 8.541 5.710 5.556 591 HB3 ARG 74 3HB ARG 74 9.120 6.783 4.288 592 HG2 ARG 74 2HG ARG 74 7.567 8.521 5.048 593 HG3 ARG 74 3HG ARG 74 6.983 7.444 6.315 594 HD2 ARG 74 2HD ARG 74 9.359 7.325 7.153 595 HD3 ARG 74 3HD ARG 74 9.741 8.620 6.022 596 HE ARG 74 HE ARG 74 7.673 9.634 7.429 597 HH11 ARG 74 1HH1 ARG 74 10.662 8.191 8.348 598 HH12 ARG 74 2HH1 ARG 74 10.762 9.077 9.829 599 HH21 ARG 74 1HH2 ARG 74 7.815 10.784 9.317 600 HH22 ARG 74 2HH2 ARG 74 9.179 10.567 10.355 601 H PHE 75 H PHE 75 6.789 4.033 5.499 602 HA PHE 75 HA PHE 75 4.086 4.900 6.329 603 HB2 PHE 75 2HB PHE 75 5.211 2.089 6.193 604 HB3 PHE 75 3HB PHE 75 3.633 2.507 6.846 605 HD1 PHE 75 HD1 PHE 75 1.871 3.407 5.330 606 HD2 PHE 75 HD2 PHE 75 5.556 1.851 3.858 607 HE1 PHE 75 HE1 PHE 75 0.872 3.153 3.100 608 HE2 PHE 75 HE2 PHE 75 4.556 1.603 1.621 609 HZ PHE 75 HZ PHE 75 2.213 2.253 1.242 610 H GLU 76 H GLU 76 6.570 2.668 7.586 611 HA GLU 76 HA GLU 76 6.049 3.316 10.321 612 HB2 GLU 76 2HB GLU 76 6.868 1.104 9.632 613 HB3 GLU 76 3HB GLU 76 8.361 1.819 9.051 614 HG2 GLU 76 2HG GLU 76 8.801 0.786 11.151 615 HG3 GLU 76 3HG GLU 76 8.864 2.530 11.385 616 H GLY 77 H GLY 77 9.168 3.585 8.615 617 HA2 GLY 77 2HA GLY 77 9.548 6.327 9.520 618 HA3 GLY 77 3HA GLY 77 10.615 5.142 10.260 619 H THR 78 H THR 78 11.170 3.465 8.189 620 HA THR 78 HA THR 78 12.850 5.017 6.422 621 HB THR 78 HB THR 78 13.697 2.898 7.233 622 HG1 THR 78 HG1 THR 78 14.476 2.187 5.319 623 HG21 THR 78 3HG2 THR 78 11.574 1.720 7.557 624 HG22 THR 78 1HG2 THR 78 12.691 0.751 6.595 625 HG23 THR 78 2HG2 THR 78 11.364 1.606 5.809 626 H GLY 79 H GLY 79 12.709 5.032 4.102 627 HA2 GLY 79 2HA GLY 79 10.332 4.000 2.799 628 HA3 GLY 79 3HA GLY 79 10.334 5.744 2.992 629 H PHE 80 H PHE 80 10.115 5.247 0.529 630 HA PHE 80 HA PHE 80 12.811 5.407 -0.671 631 HB2 PHE 80 2HB PHE 80 10.417 3.854 -1.667 632 HB3 PHE 80 3HB PHE 80 11.761 4.284 -2.719 633 HD1 PHE 80 HD1 PHE 80 10.811 2.321 0.276 634 HD2 PHE 80 HD2 PHE 80 13.797 3.076 -2.669 635 HE1 PHE 80 HE1 PHE 80 12.031 0.309 0.998 636 HE2 PHE 80 HE2 PHE 80 15.019 1.068 -1.947 637 HZ PHE 80 HZ PHE 80 14.138 -0.320 -0.111 638 H SER 81 H SER 81 12.945 6.610 -2.663 639 HA SER 81 HA SER 81 11.515 9.056 -2.590 640 HB2 SER 81 2HB SER 81 13.319 7.913 -4.738 641 HB3 SER 81 3HB SER 81 12.721 9.571 -4.720 642 HG SER 81 HG SER 81 14.393 8.328 -2.783 643 H ASN 82 H ASN 82 11.033 6.116 -4.460 644 HA ASN 82 HA ASN 82 8.756 7.400 -5.854 645 HB2 ASN 82 2HB ASN 82 10.295 4.916 -6.670 646 HB3 ASN 82 3HB ASN 82 8.904 5.574 -7.517 647 HD21 ASN 82 1HD2 ASN 82 11.711 7.251 -6.161 648 HD22 ASN 82 2HD2 ASN 82 12.241 7.904 -7.661 649 H ILE 83 H ILE 83 6.715 6.522 -5.663 650 HA ILE 83 HA ILE 83 6.086 4.768 -3.550 651 HB ILE 83 HB ILE 83 4.430 5.503 -5.976 652 HG12 ILE 83 2HG1 ILE 83 4.440 6.564 -3.134 653 HG13 ILE 83 3HG1 ILE 83 5.012 7.416 -4.563 654 HG21 ILE 83 1HG2 ILE 83 3.640 3.391 -4.999 655 HG22 ILE 83 2HG2 ILE 83 2.479 4.694 -4.755 656 HG23 ILE 83 3HG2 ILE 83 3.511 4.170 -3.421 657 HD11 ILE 83 3HD1 ILE 83 2.738 7.426 -5.461 658 HD12 ILE 83 1HD1 ILE 83 2.837 8.223 -3.890 659 HD13 ILE 83 2HD1 ILE 83 2.172 6.595 -4.011 660 HA PRO 84 HA PRO 84 5.618 1.299 -7.083 661 HB2 PRO 84 2HB PRO 84 7.609 1.705 -9.013 662 HB3 PRO 84 3HB PRO 84 5.879 1.964 -9.243 663 HG2 PRO 84 2HG PRO 84 8.024 3.941 -8.607 664 HG3 PRO 84 3HG PRO 84 6.607 4.117 -9.660 665 HD2 PRO 84 2HD PRO 84 6.651 5.218 -7.222 666 HD3 PRO 84 3HD PRO 84 5.164 4.490 -7.867 667 H GLN 85 H GLN 85 8.807 2.863 -6.610 668 HA GLN 85 HA GLN 85 10.257 0.453 -6.264 669 HB2 GLN 85 2HB GLN 85 10.851 3.296 -5.433 670 HB3 GLN 85 3HB GLN 85 11.975 1.973 -5.156 671 HG2 GLN 85 2HG GLN 85 10.931 2.789 -7.867 672 HG3 GLN 85 3HG GLN 85 12.477 3.298 -7.186 673 HE21 GLN 85 1HE2 GLN 85 10.676 0.591 -8.486 674 HE22 GLN 85 2HE2 GLN 85 12.036 -0.447 -8.717 675 H LEU 86 H LEU 86 8.715 2.636 -3.927 676 HA LEU 86 HA LEU 86 9.498 1.419 -1.549 677 HB2 LEU 86 2HB LEU 86 8.318 3.546 -1.625 678 HB3 LEU 86 3HB LEU 86 6.889 2.767 -2.275 679 HG LEU 86 HG LEU 86 6.616 1.535 -0.135 680 HD11 LEU 86 1HD1 LEU 86 8.942 1.515 0.600 681 HD12 LEU 86 2HD1 LEU 86 7.893 2.219 1.829 682 HD13 LEU 86 3HD1 LEU 86 8.898 3.265 0.825 683 HD21 LEU 86 3HD2 LEU 86 6.747 4.543 0.098 684 HD22 LEU 86 1HD2 LEU 86 5.876 3.469 1.193 685 HD23 LEU 86 2HD2 LEU 86 5.385 3.589 -0.496 686 H ILE 87 H ILE 87 6.495 0.804 -3.390 687 HA ILE 87 HA ILE 87 5.646 -1.351 -1.752 688 HB ILE 87 HB ILE 87 4.815 -0.643 -4.575 689 HG12 ILE 87 2HG1 ILE 87 4.425 1.177 -2.977 690 HG13 ILE 87 3HG1 ILE 87 2.899 0.467 -3.487 691 HG21 ILE 87 1HG2 ILE 87 4.228 -2.950 -4.062 692 HG22 ILE 87 2HG2 ILE 87 2.780 -1.947 -4.109 693 HG23 ILE 87 3HG2 ILE 87 3.457 -2.440 -2.557 694 HD11 ILE 87 3HD1 ILE 87 4.308 -0.097 -0.883 695 HD12 ILE 87 1HD1 ILE 87 2.753 -0.759 -1.390 696 HD13 ILE 87 2HD1 ILE 87 2.924 0.973 -1.103 697 H ASP 88 H ASP 88 7.107 -1.359 -5.035 698 HA ASP 88 HA ASP 88 7.152 -4.115 -5.424 699 HB2 ASP 88 2HB ASP 88 7.619 -2.580 -7.240 700 HB3 ASP 88 3HB ASP 88 9.076 -2.007 -6.436 701 H HIS 89 H HIS 89 9.596 -2.056 -3.841 702 HA HIS 89 HA HIS 89 11.539 -4.045 -3.472 703 HB2 HIS 89 2HB HIS 89 11.716 -1.495 -3.077 704 HB3 HIS 89 3HB HIS 89 11.097 -1.839 -1.465 705 HD1 HIS 89 HD1 HIS 89 12.738 -2.810 0.227 706 HD2 HIS 89 HD2 HIS 89 14.295 -2.595 -3.620 707 HE1 HIS 89 HE1 HIS 89 15.183 -3.308 0.462 708 HE2 HIS 89 HE2 HIS 89 16.123 -3.066 -1.856 709 H HIS 90 H HIS 90 8.997 -2.945 -1.188 710 HA HIS 90 HA HIS 90 9.538 -4.872 0.805 711 HB2 HIS 90 2HB HIS 90 7.070 -3.274 0.143 712 HB3 HIS 90 3HB HIS 90 7.067 -4.456 1.448 713 HD1 HIS 90 HD1 HIS 90 7.773 -3.599 3.670 714 HD2 HIS 90 HD2 HIS 90 9.154 -1.193 0.573 715 HE1 HIS 90 HE1 HIS 90 8.854 -1.630 4.780 716 HE2 HIS 90 HE2 HIS 90 9.825 -0.277 2.897 717 H TYR 91 H TYR 91 7.301 -4.968 -1.950 718 HA TYR 91 HA TYR 91 6.029 -7.397 -1.347 719 HB2 TYR 91 2HB TYR 91 5.132 -5.825 -2.970 720 HB3 TYR 91 3HB TYR 91 6.524 -6.059 -4.019 721 HD1 TYR 91 HD1 TYR 91 3.620 -7.856 -2.523 722 HD2 TYR 91 HD2 TYR 91 6.468 -7.720 -5.689 723 HE1 TYR 91 HE1 TYR 91 2.412 -9.654 -3.684 724 HE2 TYR 91 HE2 TYR 91 5.268 -9.523 -6.852 725 HH TYR 91 HH TYR 91 3.715 -11.223 -6.518 726 H THR 92 H THR 92 8.842 -6.791 -3.467 727 HA THR 92 HA THR 92 9.227 -9.523 -4.165 728 HB THR 92 HB THR 92 11.465 -8.807 -4.991 729 HG1 THR 92 HG1 THR 92 10.746 -6.153 -4.282 730 HG21 THR 92 3HG2 THR 92 10.631 -7.304 -6.737 731 HG22 THR 92 1HG2 THR 92 9.186 -6.978 -5.777 732 HG23 THR 92 2HG2 THR 92 9.472 -8.596 -6.419 733 H THR 93 H THR 93 10.948 -7.432 -1.816 734 HA THR 93 HA THR 93 12.538 -9.556 -0.747 735 HB THR 93 HB THR 93 13.079 -8.051 1.106 736 HG1 THR 93 HG1 THR 93 10.977 -6.455 0.027 737 HG21 THR 93 3HG2 THR 93 13.994 -6.150 -0.179 738 HG22 THR 93 1HG2 THR 93 12.998 -6.618 -1.558 739 HG23 THR 93 2HG2 THR 93 14.276 -7.691 -0.988 740 H LYS 94 H LYS 94 9.264 -8.784 -0.410 741 HA LYS 94 HA LYS 94 7.554 -9.649 0.791 742 HB2 LYS 94 2HB LYS 94 8.973 -11.772 0.219 743 HB3 LYS 94 3HB LYS 94 9.387 -11.751 1.926 744 HG2 LYS 94 2HG LYS 94 7.540 -13.262 1.524 745 HG3 LYS 94 3HG LYS 94 7.001 -11.892 2.500 746 HD2 LYS 94 2HD LYS 94 5.936 -10.871 0.608 747 HD3 LYS 94 3HD LYS 94 6.657 -12.041 -0.499 748 HE2 LYS 94 2HE LYS 94 4.645 -12.672 1.665 749 HE3 LYS 94 3HE LYS 94 4.291 -12.532 -0.057 750 HZ1 LYS 94 3HZ LYS 94 4.535 -14.824 0.476 751 HZ2 LYS 94 1HZ LYS 94 6.013 -14.563 1.254 752 HZ3 LYS 94 2HZ LYS 94 5.893 -14.373 -0.423 753 H GLN 95 H GLN 95 9.216 -7.599 1.947 754 HA GLN 95 HA GLN 95 9.334 -8.192 4.806 755 HB2 GLN 95 2HB GLN 95 10.152 -5.764 3.198 756 HB3 GLN 95 3HB GLN 95 10.253 -5.841 4.953 757 HG2 GLN 95 2HG GLN 95 11.674 -7.718 3.070 758 HG3 GLN 95 3HG GLN 95 12.398 -6.289 3.803 759 HE21 GLN 95 1HE2 GLN 95 11.260 -9.521 4.355 760 HE22 GLN 95 2HE2 GLN 95 11.952 -9.708 5.926 761 H VAL 96 H VAL 96 8.299 -6.899 6.389 762 HA VAL 96 HA VAL 96 5.546 -6.498 5.878 763 HB VAL 96 HB VAL 96 5.383 -5.715 8.190 764 HG11 VAL 96 1HG1 VAL 96 7.257 -8.069 7.900 765 HG12 VAL 96 2HG1 VAL 96 5.498 -8.120 7.776 766 HG13 VAL 96 3HG1 VAL 96 6.262 -7.706 9.311 767 HG21 VAL 96 3HG2 VAL 96 7.365 -4.324 8.323 768 HG22 VAL 96 1HG2 VAL 96 8.408 -5.738 8.147 769 HG23 VAL 96 2HG2 VAL 96 7.418 -5.545 9.593 770 H ILE 97 H ILE 97 4.307 -4.518 6.383 771 HA ILE 97 HA ILE 97 5.294 -2.200 5.013 772 HB ILE 97 HB ILE 97 2.790 -2.582 6.674 773 HG12 ILE 97 2HG1 ILE 97 2.868 -4.024 4.693 774 HG13 ILE 97 3HG1 ILE 97 1.662 -2.758 4.483 775 HG21 ILE 97 1HG2 ILE 97 3.508 -0.325 4.796 776 HG22 ILE 97 2HG2 ILE 97 3.381 -0.217 6.551 777 HG23 ILE 97 3HG2 ILE 97 1.947 -0.554 5.585 778 HD11 ILE 97 3HD1 ILE 97 2.909 -3.106 2.441 779 HD12 ILE 97 1HD1 ILE 97 4.426 -2.792 3.285 780 HD13 ILE 97 2HD1 ILE 97 3.240 -1.501 3.090 781 H THR 98 H THR 98 4.166 -2.578 8.391 782 HA THR 98 HA THR 98 6.380 -0.832 9.267 783 HB THR 98 HB THR 98 5.005 0.270 10.930 784 HG1 THR 98 HG1 THR 98 2.719 -0.164 11.004 785 HG21 THR 98 3HG2 THR 98 3.457 1.550 9.540 786 HG22 THR 98 1HG2 THR 98 3.553 0.321 8.279 787 HG23 THR 98 2HG2 THR 98 4.977 1.278 8.687 788 H LYS 99 H LYS 99 7.158 -1.270 11.421 789 HA LYS 99 HA LYS 99 7.056 -4.045 12.130 790 HB2 LYS 99 2HB LYS 99 8.272 -1.665 13.556 791 HB3 LYS 99 3HB LYS 99 8.482 -3.337 14.068 792 HG2 LYS 99 2HG LYS 99 9.363 -2.171 11.426 793 HG3 LYS 99 3HG LYS 99 10.408 -2.549 12.799 794 HD2 LYS 99 2HD LYS 99 9.865 -4.911 12.603 795 HD3 LYS 99 3HD LYS 99 8.724 -4.565 11.300 796 HE2 LYS 99 2HE LYS 99 10.824 -5.418 10.408 797 HE3 LYS 99 3HE LYS 99 10.566 -3.748 9.905 798 HZ1 LYS 99 3HZ LYS 99 12.311 -4.612 12.145 799 HZ2 LYS 99 1HZ LYS 99 12.092 -3.023 11.615 800 HZ3 LYS 99 2HZ LYS 99 12.845 -4.150 10.611 801 H LYS 100 H LYS 100 5.358 -1.197 13.126 802 HA LYS 100 HA LYS 100 4.203 -2.221 15.519 803 HB2 LYS 100 2HB LYS 100 4.284 0.176 14.996 804 HB3 LYS 100 3HB LYS 100 3.213 -0.075 13.626 805 HG2 LYS 100 2HG LYS 100 1.453 -0.849 15.205 806 HG3 LYS 100 3HG LYS 100 2.526 -0.441 16.544 807 HD2 LYS 100 2HD LYS 100 1.496 1.491 14.457 808 HD3 LYS 100 3HD LYS 100 0.887 1.340 16.108 809 HE2 LYS 100 2HE LYS 100 3.717 2.107 15.360 810 HE3 LYS 100 3HE LYS 100 2.448 3.239 15.822 811 HZ1 LYS 100 3HZ LYS 100 3.836 2.778 17.697 812 HZ2 LYS 100 1HZ LYS 100 3.618 1.111 17.523 813 HZ3 LYS 100 2HZ LYS 100 2.317 2.090 17.976 814 H SER 101 H SER 101 3.453 -2.676 12.138 815 HA SER 101 HA SER 101 0.779 -3.743 12.769 816 HB2 SER 101 2HB SER 101 0.312 -3.604 10.383 817 HB3 SER 101 3HB SER 101 0.949 -2.061 10.951 818 HG SER 101 HG SER 101 2.705 -2.334 9.792 819 H GLY 102 H GLY 102 3.741 -4.679 11.011 820 HA2 GLY 102 2HA GLY 102 4.645 -6.774 10.631 821 HA3 GLY 102 3HA GLY 102 3.412 -7.454 11.680 822 H VAL 103 H VAL 103 2.410 -5.498 8.993 823 HA VAL 103 HA VAL 103 1.028 -7.763 7.816 824 HB VAL 103 HB VAL 103 1.065 -4.863 6.938 825 HG11 VAL 103 1HG1 VAL 103 -0.973 -5.438 5.692 826 HG12 VAL 103 2HG1 VAL 103 -0.780 -7.127 6.161 827 HG13 VAL 103 3HG1 VAL 103 0.423 -6.358 5.124 828 HG21 VAL 103 3HG2 VAL 103 0.162 -5.148 9.205 829 HG22 VAL 103 1HG2 VAL 103 -0.972 -6.354 8.602 830 HG23 VAL 103 2HG2 VAL 103 -1.097 -4.679 8.061 831 H VAL 104 H VAL 104 1.568 -8.844 5.994 832 HA VAL 104 HA VAL 104 4.012 -8.008 4.557 833 HB VAL 104 HB VAL 104 2.761 -10.768 4.670 834 HG11 VAL 104 1HG1 VAL 104 5.452 -9.868 3.626 835 HG12 VAL 104 2HG1 VAL 104 4.080 -10.388 2.650 836 HG13 VAL 104 3HG1 VAL 104 4.885 -11.536 3.719 837 HG21 VAL 104 3HG2 VAL 104 4.581 -11.364 6.196 838 HG22 VAL 104 1HG2 VAL 104 3.574 -10.086 6.876 839 HG23 VAL 104 2HG2 VAL 104 5.149 -9.693 6.186 840 H LEU 105 H LEU 105 4.073 -8.049 2.265 841 HA LEU 105 HA LEU 105 1.461 -7.671 1.004 842 HB2 LEU 105 2HB LEU 105 4.241 -7.045 0.005 843 HB3 LEU 105 3HB LEU 105 2.761 -6.689 -0.867 844 HG LEU 105 HG LEU 105 3.621 -5.482 1.771 845 HD11 LEU 105 1HD1 LEU 105 3.364 -4.286 -0.992 846 HD12 LEU 105 2HD1 LEU 105 4.866 -4.612 -0.127 847 HD13 LEU 105 3HD1 LEU 105 3.746 -3.395 0.483 848 HD21 LEU 105 3HD2 LEU 105 1.128 -4.976 0.138 849 HD22 LEU 105 1HD2 LEU 105 1.630 -4.065 1.563 850 HD23 LEU 105 2HD2 LEU 105 1.201 -5.768 1.714 851 H LEU 106 H LEU 106 0.548 -9.387 0.074 852 HA LEU 106 HA LEU 106 2.078 -10.825 -1.960 853 HB2 LEU 106 2HB LEU 106 1.127 -13.009 -1.297 854 HB3 LEU 106 3HB LEU 106 2.240 -12.353 -0.115 855 HG LEU 106 HG LEU 106 -0.757 -12.111 0.193 856 HD11 LEU 106 1HD1 LEU 106 1.046 -14.302 1.237 857 HD12 LEU 106 2HD1 LEU 106 -0.222 -14.481 0.026 858 HD13 LEU 106 3HD1 LEU 106 -0.645 -14.059 1.684 859 HD21 LEU 106 3HD2 LEU 106 0.565 -10.585 1.556 860 HD22 LEU 106 1HD2 LEU 106 1.529 -11.931 2.165 861 HD23 LEU 106 2HD2 LEU 106 -0.186 -11.821 2.566 862 H ASN 107 H ASN 107 0.684 -11.961 -3.529 863 HA ASN 107 HA ASN 107 -0.811 -11.590 -5.217 864 HB2 ASN 107 2HB ASN 107 -3.189 -12.170 -4.502 865 HB3 ASN 107 3HB ASN 107 -1.937 -13.357 -4.174 866 HD21 ASN 107 1HD2 ASN 107 -4.061 -10.974 -2.744 867 HD22 ASN 107 2HD2 ASN 107 -3.918 -11.550 -1.123 868 HA PRO 108 HA PRO 108 -1.817 -7.148 -4.519 869 HB2 PRO 108 2HB PRO 108 -0.982 -6.856 -7.318 870 HB3 PRO 108 3HB PRO 108 -0.335 -6.081 -5.872 871 HG2 PRO 108 2HG PRO 108 1.042 -7.961 -7.252 872 HG3 PRO 108 3HG PRO 108 1.207 -7.745 -5.499 873 HD2 PRO 108 2HD PRO 108 -0.367 -9.799 -7.015 874 HD3 PRO 108 3HD PRO 108 0.624 -9.991 -5.553 875 H ILE 109 H ILE 109 -3.612 -5.968 -5.200 876 HA ILE 109 HA ILE 109 -5.517 -7.434 -6.882 877 HB ILE 109 HB ILE 109 -5.954 -5.029 -5.095 878 HG12 ILE 109 2HG1 ILE 109 -5.384 -7.059 -3.824 879 HG13 ILE 109 3HG1 ILE 109 -7.071 -6.623 -3.578 880 HG21 ILE 109 1HG2 ILE 109 -7.979 -6.767 -6.512 881 HG22 ILE 109 2HG2 ILE 109 -7.551 -5.115 -6.954 882 HG23 ILE 109 3HG2 ILE 109 -8.340 -5.438 -5.411 883 HD11 ILE 109 3HD1 ILE 109 -6.787 -9.026 -3.835 884 HD12 ILE 109 1HD1 ILE 109 -6.064 -8.782 -5.425 885 HD13 ILE 109 2HD1 ILE 109 -7.755 -8.358 -5.149 886 HA PRO 110 HA PRO 110 -4.540 -4.437 -10.137 887 HB2 PRO 110 2HB PRO 110 -5.885 -5.655 -12.132 888 HB3 PRO 110 3HB PRO 110 -4.351 -6.289 -11.518 889 HG2 PRO 110 2HG PRO 110 -7.151 -7.158 -10.875 890 HG3 PRO 110 3HG PRO 110 -5.730 -8.156 -11.239 891 HD2 PRO 110 2HD PRO 110 -6.599 -7.684 -8.698 892 HD3 PRO 110 3HD PRO 110 -4.894 -7.973 -9.097 893 H LYS 111 H LYS 111 -5.999 -3.343 -11.912 894 HA LYS 111 HA LYS 111 -8.699 -2.832 -10.859 895 HB2 LYS 111 2HB LYS 111 -8.282 -0.363 -11.558 896 HB3 LYS 111 3HB LYS 111 -7.672 -0.938 -10.018 897 HG2 LYS 111 2HG LYS 111 -5.970 0.393 -10.972 898 HG3 LYS 111 3HG LYS 111 -5.444 -1.281 -11.126 899 HD2 LYS 111 2HD LYS 111 -6.192 -1.278 -13.479 900 HD3 LYS 111 3HD LYS 111 -6.676 0.410 -13.313 901 HE2 LYS 111 2HE LYS 111 -4.360 1.038 -12.843 902 HE3 LYS 111 3HE LYS 111 -3.871 -0.652 -12.952 903 HZ1 LYS 111 3HZ LYS 111 -4.590 -0.653 -15.272 904 HZ2 LYS 111 1HZ LYS 111 -3.389 0.506 -14.994 905 HZ3 LYS 111 2HZ LYS 111 -5.001 0.981 -15.153 906 H ASP 112 H ASP 112 -10.106 -1.637 -12.447 907 HA ASP 112 HA ASP 112 -9.465 -1.957 -15.247 908 HB2 ASP 112 2HB ASP 112 -10.213 -4.259 -14.257 909 HB3 ASP 112 3HB ASP 112 -11.824 -3.551 -14.240 910 H LYS 113 H LYS 113 -11.663 -1.538 -16.553 911 HA LYS 113 HA LYS 113 -12.991 0.753 -15.248 912 HB2 LYS 113 2HB LYS 113 -12.524 0.178 -18.179 913 HB3 LYS 113 3HB LYS 113 -13.483 1.524 -17.578 914 HG2 LYS 113 2HG LYS 113 -10.540 1.072 -17.077 915 HG3 LYS 113 3HG LYS 113 -11.246 2.252 -18.181 916 HD2 LYS 113 2HD LYS 113 -12.367 3.333 -16.243 917 HD3 LYS 113 3HD LYS 113 -11.545 2.197 -15.172 918 HE2 LYS 113 2HE LYS 113 -10.349 4.297 -15.191 919 HE3 LYS 113 3HE LYS 113 -9.370 3.061 -15.984 920 HZ1 LYS 113 3HZ LYS 113 -11.028 5.102 -17.370 921 HZ2 LYS 113 1HZ LYS 113 -10.077 3.927 -18.126 922 HZ3 LYS 113 2HZ LYS 113 -9.346 5.144 -17.209 923 H LYS 114 H LYS 114 -13.615 -2.411 -16.022 924 HA LYS 114 HA LYS 114 -16.329 -2.109 -16.965 925 HB2 LYS 114 2HB LYS 114 -14.843 -4.530 -15.915 926 HB3 LYS 114 3HB LYS 114 -16.461 -4.579 -16.602 927 HG2 LYS 114 2HG LYS 114 -15.545 -3.729 -18.740 928 HG3 LYS 114 3HG LYS 114 -13.926 -3.788 -18.037 929 HD2 LYS 114 2HD LYS 114 -15.783 -6.151 -18.397 930 HD3 LYS 114 3HD LYS 114 -14.393 -5.771 -19.416 931 HE2 LYS 114 2HE LYS 114 -12.895 -6.070 -17.509 932 HE3 LYS 114 3HE LYS 114 -14.275 -6.404 -16.460 933 HZ1 LYS 114 3HZ LYS 114 -14.757 -8.370 -17.755 934 HZ2 LYS 114 1HZ LYS 114 -13.162 -8.432 -17.198 935 HZ3 LYS 114 2HZ LYS 114 -13.481 -8.041 -18.810 936 H TRP 115 H TRP 115 -17.903 -1.387 -15.678 937 HA TRP 115 HA TRP 115 -17.778 -1.587 -12.803 938 HB2 TRP 115 2HB TRP 115 -19.885 -0.497 -14.687 939 HB3 TRP 115 3HB TRP 115 -20.048 -0.466 -12.935 940 HD1 TRP 115 HD1 TRP 115 -17.483 0.826 -15.572 941 HE1 TRP 115 HE1 TRP 115 -16.626 3.117 -14.765 942 HE3 TRP 115 HE3 TRP 115 -19.997 1.123 -11.126 943 HZ2 TRP 115 HZ2 TRP 115 -16.967 4.819 -12.541 944 HZ3 TRP 115 HZ3 TRP 115 -19.677 3.117 -9.718 945 HH2 TRP 115 HH2 TRP 115 -18.192 4.925 -10.412 946 H ILE 116 H ILE 116 -17.686 -4.119 -13.287 947 HA ILE 116 HA ILE 116 -20.352 -5.140 -12.650 948 HB ILE 116 HB ILE 116 -19.808 -7.190 -14.166 949 HG12 ILE 116 2HG1 ILE 116 -18.683 -6.376 -16.332 950 HG13 ILE 116 3HG1 ILE 116 -18.034 -5.055 -15.371 951 HG21 ILE 116 1HG2 ILE 116 -21.024 -6.168 -16.024 952 HG22 ILE 116 2HG2 ILE 116 -20.708 -4.567 -15.355 953 HG23 ILE 116 3HG2 ILE 116 -21.716 -5.709 -14.467 954 HD11 ILE 116 3HD1 ILE 116 -16.859 -6.645 -13.961 955 HD12 ILE 116 1HD1 ILE 116 -16.430 -6.859 -15.657 956 HD13 ILE 116 2HD1 ILE 116 -17.546 -7.984 -14.880 Start of MODEL 7 1 H1 MET 1 1H MET 1 7.518 -25.211 -32.868 2 H2 MET 1 2H MET 1 9.187 -25.395 -33.073 3 H3 MET 1 3H MET 1 8.560 -23.931 -32.500 4 HA MET 1 HA MET 1 7.796 -24.991 -30.485 5 HB2 MET 1 2HB MET 1 9.225 -27.455 -31.518 6 HB3 MET 1 3HB MET 1 8.339 -27.306 -30.006 7 HG2 MET 1 2HG MET 1 7.041 -28.537 -31.631 8 HG3 MET 1 3HG MET 1 6.258 -26.997 -31.267 9 HE1 MET 1 3HE MET 1 5.378 -27.522 -35.056 10 HE2 MET 1 1HE MET 1 4.738 -27.266 -33.433 11 HE3 MET 1 2HE MET 1 5.522 -28.792 -33.842 12 H GLY 2 H GLY 2 9.308 -25.436 -28.619 13 HA2 GLY 2 2HA GLY 2 11.902 -25.808 -28.412 14 HA3 GLY 2 3HA GLY 2 11.934 -24.237 -29.193 15 H HIS 3 H HIS 3 12.483 -22.750 -27.733 16 HA HIS 3 HA HIS 3 11.493 -23.029 -24.963 17 HB2 HIS 3 2HB HIS 3 13.942 -21.573 -25.997 18 HB3 HIS 3 3HB HIS 3 13.451 -21.671 -24.308 19 HD1 HIS 3 HD1 HIS 3 14.155 -23.729 -23.018 20 HD2 HIS 3 HD2 HIS 3 14.835 -24.078 -27.104 21 HE1 HIS 3 HE1 HIS 3 15.490 -25.836 -23.302 22 HE2 HIS 3 HE2 HIS 3 15.906 -26.020 -25.776 23 H HIS 4 H HIS 4 10.322 -21.403 -24.035 24 HA HIS 4 HA HIS 4 9.432 -19.242 -25.774 25 HB2 HIS 4 2HB HIS 4 7.737 -20.477 -24.533 26 HB3 HIS 4 3HB HIS 4 8.519 -20.077 -23.007 27 HD1 HIS 4 HD1 HIS 4 6.624 -18.419 -25.841 28 HD2 HIS 4 HD2 HIS 4 7.753 -17.675 -21.907 29 HE1 HIS 4 HE1 HIS 4 5.443 -16.300 -25.184 30 HE2 HIS 4 HE2 HIS 4 6.257 -15.797 -22.861 31 H HIS 5 H HIS 5 9.700 -17.059 -25.405 32 HA HIS 5 HA HIS 5 11.917 -16.348 -23.620 33 HB2 HIS 5 2HB HIS 5 12.092 -15.745 -26.002 34 HB3 HIS 5 3HB HIS 5 10.615 -14.800 -25.880 35 HD1 HIS 5 HD1 HIS 5 14.254 -14.721 -25.004 36 HD2 HIS 5 HD2 HIS 5 10.904 -12.280 -24.689 37 HE1 HIS 5 HE1 HIS 5 15.130 -12.450 -24.394 38 HE2 HIS 5 HE2 HIS 5 13.104 -10.961 -24.346 39 H HIS 6 H HIS 6 11.775 -14.747 -22.038 40 HA HIS 6 HA HIS 6 9.082 -13.657 -21.467 41 HB2 HIS 6 2HB HIS 6 11.428 -14.262 -19.664 42 HB3 HIS 6 3HB HIS 6 10.126 -13.192 -19.153 43 HD1 HIS 6 HD1 HIS 6 8.861 -14.536 -17.504 44 HD2 HIS 6 HD2 HIS 6 9.744 -16.725 -20.917 45 HE1 HIS 6 HE1 HIS 6 7.661 -16.719 -17.224 46 HE2 HIS 6 HE2 HIS 6 8.042 -17.933 -19.394 47 H HIS 7 H HIS 7 8.755 -11.521 -21.753 48 HA HIS 7 HA HIS 7 11.130 -9.826 -22.209 49 HB2 HIS 7 2HB HIS 7 9.721 -10.032 -24.173 50 HB3 HIS 7 3HB HIS 7 8.305 -9.532 -23.253 51 HD1 HIS 7 HD1 HIS 7 7.721 -7.150 -23.574 52 HD2 HIS 7 HD2 HIS 7 11.782 -7.822 -24.130 53 HE1 HIS 7 HE1 HIS 7 8.686 -4.928 -24.222 54 HE2 HIS 7 HE2 HIS 7 11.098 -5.402 -24.743 55 H HIS 8 H HIS 8 11.559 -9.011 -20.196 56 HA HIS 8 HA HIS 8 9.493 -7.547 -18.737 57 HB2 HIS 8 2HB HIS 8 11.079 -8.876 -17.440 58 HB3 HIS 8 3HB HIS 8 12.433 -8.012 -18.155 59 HD1 HIS 8 HD1 HIS 8 12.588 -5.394 -17.473 60 HD2 HIS 8 HD2 HIS 8 10.089 -7.762 -15.143 61 HE1 HIS 8 HE1 HIS 8 12.216 -4.100 -15.362 62 HE2 HIS 8 HE2 HIS 8 10.937 -5.672 -13.877 63 H SER 9 H SER 9 8.996 -5.623 -19.711 64 HA SER 9 HA SER 9 10.998 -3.954 -20.955 65 HB2 SER 9 2HB SER 9 8.686 -3.978 -21.802 66 HB3 SER 9 3HB SER 9 8.108 -3.335 -20.266 67 HG SER 9 HG SER 9 8.341 -1.581 -21.573 68 H HIS 10 H HIS 10 10.429 -1.396 -20.172 69 HA HIS 10 HA HIS 10 12.050 -1.149 -17.866 70 HB2 HIS 10 2HB HIS 10 10.380 0.902 -19.328 71 HB3 HIS 10 3HB HIS 10 11.522 1.291 -18.043 72 HD1 HIS 10 HD1 HIS 10 14.066 0.856 -18.565 73 HD2 HIS 10 HD2 HIS 10 11.511 0.462 -21.819 74 HE1 HIS 10 HE1 HIS 10 15.549 0.859 -20.588 75 HE2 HIS 10 HE2 HIS 10 13.968 0.824 -22.541 76 H MET 11 H MET 11 11.584 -0.195 -15.828 77 HA MET 11 HA MET 11 9.337 -1.268 -14.530 78 HB2 MET 11 2HB MET 11 11.416 -0.787 -13.337 79 HB3 MET 11 3HB MET 11 11.198 0.938 -13.610 80 HG2 MET 11 2HG MET 11 10.588 0.208 -11.327 81 HG3 MET 11 3HG MET 11 9.263 0.984 -12.194 82 HE1 MET 11 3HE MET 11 8.867 -0.769 -9.538 83 HE2 MET 11 1HE MET 11 7.434 -1.699 -9.979 84 HE3 MET 11 2HE MET 11 7.539 0.011 -10.399 85 H LYS 12 H LYS 12 7.311 -0.628 -14.512 86 HA LYS 12 HA LYS 12 6.454 1.731 -15.852 87 HB2 LYS 12 2HB LYS 12 4.898 -0.238 -14.161 88 HB3 LYS 12 3HB LYS 12 4.187 0.975 -15.217 89 HG2 LYS 12 2HG LYS 12 5.929 -1.324 -16.087 90 HG3 LYS 12 3HG LYS 12 4.175 -1.220 -16.263 91 HD2 LYS 12 2HD LYS 12 4.392 0.666 -17.765 92 HD3 LYS 12 3HD LYS 12 6.138 0.710 -17.513 93 HE2 LYS 12 2HE LYS 12 4.611 -1.579 -18.753 94 HE3 LYS 12 3HE LYS 12 5.527 -0.362 -19.641 95 HZ1 LYS 12 3HZ LYS 12 7.536 -1.111 -18.544 96 HZ2 LYS 12 1HZ LYS 12 6.783 -2.407 -19.330 97 HZ3 LYS 12 2HZ LYS 12 6.663 -2.251 -17.654 98 HA PRO 13 HA PRO 13 6.158 4.634 -12.435 99 HB2 PRO 13 2HB PRO 13 4.171 6.223 -13.474 100 HB3 PRO 13 3HB PRO 13 5.867 6.330 -13.956 101 HG2 PRO 13 2HG PRO 13 3.600 4.912 -15.310 102 HG3 PRO 13 3HG PRO 13 4.876 5.916 -16.024 103 HD2 PRO 13 2HD PRO 13 4.986 3.230 -16.105 104 HD3 PRO 13 3HD PRO 13 6.453 4.214 -15.911 105 H LEU 14 H LEU 14 4.257 5.666 -11.121 106 HA LEU 14 HA LEU 14 2.971 3.604 -9.765 107 HB2 LEU 14 2HB LEU 14 3.480 5.823 -8.823 108 HB3 LEU 14 3HB LEU 14 2.221 6.529 -9.820 109 HG LEU 14 HG LEU 14 0.522 5.211 -8.604 110 HD11 LEU 14 1HD1 LEU 14 2.829 4.315 -6.876 111 HD12 LEU 14 2HD1 LEU 14 1.920 3.297 -7.992 112 HD13 LEU 14 3HD1 LEU 14 1.120 3.989 -6.580 113 HD21 LEU 14 3HD2 LEU 14 1.089 7.476 -7.862 114 HD22 LEU 14 1HD2 LEU 14 2.327 6.817 -6.794 115 HD23 LEU 14 2HD2 LEU 14 0.626 6.446 -6.509 116 H ALA 15 H ALA 15 1.515 5.903 -12.091 117 HA ALA 15 HA ALA 15 -1.120 4.998 -11.935 118 HB1 ALA 15 3HB ALA 15 -0.461 7.089 -13.020 119 HB2 ALA 15 1HB ALA 15 -1.475 6.102 -14.074 120 HB3 ALA 15 2HB ALA 15 0.268 6.175 -14.341 121 H GLU 16 H GLU 16 1.583 3.600 -13.660 122 HA GLU 16 HA GLU 16 -0.097 1.929 -15.349 123 HB2 GLU 16 2HB GLU 16 2.907 1.975 -14.991 124 HB3 GLU 16 3HB GLU 16 2.043 1.048 -16.208 125 HG2 GLU 16 2HG GLU 16 2.059 4.052 -15.992 126 HG3 GLU 16 3HG GLU 16 3.037 3.100 -17.105 127 H GLN 17 H GLN 17 0.601 1.705 -12.172 128 HA GLN 17 HA GLN 17 1.309 -1.119 -12.070 129 HB2 GLN 17 2HB GLN 17 0.652 0.816 -9.833 130 HB3 GLN 17 3HB GLN 17 1.295 -0.809 -9.626 131 HG2 GLN 17 2HG GLN 17 2.699 1.472 -11.017 132 HG3 GLN 17 3HG GLN 17 3.017 0.913 -9.377 133 HE21 GLN 17 1HE2 GLN 17 4.784 1.064 -11.699 134 HE22 GLN 17 2HE2 GLN 17 5.390 -0.537 -11.930 135 H ASP 18 H ASP 18 -0.028 -2.793 -11.570 136 HA ASP 18 HA ASP 18 -2.828 -2.497 -11.956 137 HB2 ASP 18 2HB ASP 18 -1.166 -4.836 -10.993 138 HB3 ASP 18 3HB ASP 18 -2.896 -4.942 -11.307 139 H TRP 19 H TRP 19 -0.838 -2.748 -9.061 140 HA TRP 19 HA TRP 19 -3.074 -3.097 -7.293 141 HB2 TRP 19 2HB TRP 19 -1.309 -2.525 -5.504 142 HB3 TRP 19 3HB TRP 19 -1.091 -3.995 -6.443 143 HD1 TRP 19 HD1 TRP 19 1.008 -4.134 -8.050 144 HE1 TRP 19 HE1 TRP 19 3.140 -2.714 -8.273 145 HE3 TRP 19 HE3 TRP 19 -0.442 -0.048 -5.330 146 HZ2 TRP 19 HZ2 TRP 19 4.090 -0.206 -7.412 147 HZ3 TRP 19 HZ3 TRP 19 1.144 1.819 -5.080 148 HH2 TRP 19 HH2 TRP 19 3.364 1.741 -6.101 149 H TYR 20 H TYR 20 -1.939 -0.393 -8.947 150 HA TYR 20 HA TYR 20 -2.914 1.505 -6.931 151 HB2 TYR 20 2HB TYR 20 -0.825 2.114 -8.001 152 HB3 TYR 20 3HB TYR 20 -1.546 1.939 -9.597 153 HD1 TYR 20 HD2 TYR 20 -1.938 3.905 -6.439 154 HD2 TYR 20 HD1 TYR 20 -2.393 3.832 -10.673 155 HE1 TYR 20 HE2 TYR 20 -2.562 6.282 -6.411 156 HE2 TYR 20 HE1 TYR 20 -3.019 6.209 -10.651 157 HH TYR 20 HH TYR 20 -2.536 8.220 -7.999 158 H HIS 21 H HIS 21 -5.091 1.661 -6.903 159 HA HIS 21 HA HIS 21 -6.632 1.350 -9.369 160 HB2 HIS 21 2HB HIS 21 -7.441 1.520 -6.463 161 HB3 HIS 21 3HB HIS 21 -8.613 1.487 -7.777 162 HD1 HIS 21 HD1 HIS 21 -9.545 -0.775 -8.069 163 HD2 HIS 21 HD2 HIS 21 -5.547 -0.915 -6.924 164 HE1 HIS 21 HE1 HIS 21 -8.981 -3.210 -7.892 165 HE2 HIS 21 HE2 HIS 21 -6.506 -3.262 -7.451 166 H GLY 22 H GLY 22 -5.306 3.924 -7.657 167 HA2 GLY 22 2HA GLY 22 -5.387 6.158 -8.382 168 HA3 GLY 22 3HA GLY 22 -6.879 5.812 -9.236 169 H ALA 23 H ALA 23 -7.616 7.852 -8.315 170 HA ALA 23 HA ALA 23 -7.941 8.087 -5.472 171 HB1 ALA 23 3HB ALA 23 -7.581 10.048 -6.890 172 HB2 ALA 23 1HB ALA 23 -9.071 10.182 -5.958 173 HB3 ALA 23 2HB ALA 23 -9.137 9.769 -7.672 174 H ILE 24 H ILE 24 -9.100 6.001 -5.224 175 HA ILE 24 HA ILE 24 -11.979 6.180 -5.849 176 HB ILE 24 HB ILE 24 -12.122 3.796 -5.380 177 HG12 ILE 24 2HG1 ILE 24 -9.140 3.870 -4.834 178 HG13 ILE 24 3HG1 ILE 24 -10.379 3.741 -3.590 179 HG21 ILE 24 1HG2 ILE 24 -11.531 4.444 -7.641 180 HG22 ILE 24 2HG2 ILE 24 -10.727 2.934 -7.214 181 HG23 ILE 24 3HG2 ILE 24 -9.820 4.446 -7.220 182 HD11 ILE 24 3HD1 ILE 24 -9.432 1.578 -4.061 183 HD12 ILE 24 1HD1 ILE 24 -9.822 1.743 -5.772 184 HD13 ILE 24 2HD1 ILE 24 -11.117 1.618 -4.581 185 HA PRO 25 HA PRO 25 -13.060 6.865 -1.585 186 HB2 PRO 25 2HB PRO 25 -15.406 5.500 -1.357 187 HB3 PRO 25 3HB PRO 25 -15.256 7.015 -2.256 188 HG2 PRO 25 2HG PRO 25 -15.261 4.195 -3.284 189 HG3 PRO 25 3HG PRO 25 -16.108 5.617 -3.921 190 HD2 PRO 25 2HD PRO 25 -13.800 4.709 -5.001 191 HD3 PRO 25 3HD PRO 25 -14.213 6.434 -4.972 192 H ARG 26 H ARG 26 -13.252 5.902 0.503 193 HA ARG 26 HA ARG 26 -11.564 3.749 1.017 194 HB2 ARG 26 2HB ARG 26 -12.158 5.476 2.673 195 HB3 ARG 26 3HB ARG 26 -13.789 4.826 2.768 196 HG2 ARG 26 2HG ARG 26 -12.889 2.718 3.664 197 HG3 ARG 26 3HG ARG 26 -11.258 3.392 3.589 198 HD2 ARG 26 2HD ARG 26 -13.554 4.465 5.240 199 HD3 ARG 26 3HD ARG 26 -12.185 3.540 5.854 200 HE ARG 26 HE ARG 26 -11.064 5.703 4.601 201 HH11 ARG 26 1HH1 ARG 26 -13.349 5.272 7.148 202 HH12 ARG 26 2HH1 ARG 26 -12.909 6.747 7.931 203 HH21 ARG 26 1HH2 ARG 26 -10.512 7.584 5.621 204 HH22 ARG 26 2HH2 ARG 26 -11.319 8.039 7.080 205 H ILE 27 H ILE 27 -15.077 3.783 0.620 206 HA ILE 27 HA ILE 27 -15.701 1.207 1.490 207 HB ILE 27 HB ILE 27 -17.004 2.709 -0.796 208 HG12 ILE 27 2HG1 ILE 27 -17.677 2.687 2.163 209 HG13 ILE 27 3HG1 ILE 27 -16.937 4.025 1.294 210 HG21 ILE 27 1HG2 ILE 27 -17.619 0.346 -0.767 211 HG22 ILE 27 2HG2 ILE 27 -18.985 1.349 -0.287 212 HG23 ILE 27 3HG2 ILE 27 -18.070 0.467 0.936 213 HD11 ILE 27 3HD1 ILE 27 -19.292 4.431 1.649 214 HD12 ILE 27 1HD1 ILE 27 -19.699 2.924 0.832 215 HD13 ILE 27 2HD1 ILE 27 -18.959 4.244 -0.073 216 H GLU 28 H GLU 28 -15.118 2.215 -1.909 217 HA GLU 28 HA GLU 28 -15.144 -0.353 -3.009 218 HB2 GLU 28 2HB GLU 28 -13.734 2.150 -3.951 219 HB3 GLU 28 3HB GLU 28 -13.853 0.680 -4.909 220 HG2 GLU 28 2HG GLU 28 -16.143 2.381 -3.944 221 HG3 GLU 28 3HG GLU 28 -15.537 2.268 -5.598 222 H ALA 29 H ALA 29 -12.575 1.364 -1.381 223 HA ALA 29 HA ALA 29 -10.394 -0.219 -2.241 224 HB1 ALA 29 3HB ALA 29 -10.710 1.356 0.317 225 HB2 ALA 29 1HB ALA 29 -10.084 1.974 -1.211 226 HB3 ALA 29 2HB ALA 29 -9.189 0.735 -0.327 227 H GLN 30 H GLN 30 -12.673 -0.560 0.458 228 HA GLN 30 HA GLN 30 -11.255 -2.871 1.520 229 HB2 GLN 30 2HB GLN 30 -12.945 -2.902 3.258 230 HB3 GLN 30 3HB GLN 30 -12.348 -1.261 3.041 231 HG2 GLN 30 2HG GLN 30 -14.322 -0.627 1.850 232 HG3 GLN 30 3HG GLN 30 -14.897 -2.288 1.807 233 HE21 GLN 30 1HE2 GLN 30 -16.808 -1.854 2.853 234 HE22 GLN 30 2HE2 GLN 30 -16.884 -1.412 4.525 235 H GLU 31 H GLU 31 -14.156 -2.242 -0.384 236 HA GLU 31 HA GLU 31 -15.449 -4.714 0.002 237 HB2 GLU 31 2HB GLU 31 -15.641 -2.772 -2.305 238 HB3 GLU 31 3HB GLU 31 -16.742 -4.117 -2.044 239 HG2 GLU 31 2HG GLU 31 -16.328 -1.805 -0.157 240 HG3 GLU 31 3HG GLU 31 -17.667 -1.974 -1.288 241 H LEU 32 H LEU 32 -12.758 -3.926 -2.044 242 HA LEU 32 HA LEU 32 -13.131 -6.333 -3.665 243 HB2 LEU 32 2HB LEU 32 -11.278 -5.553 -5.000 244 HB3 LEU 32 3HB LEU 32 -12.433 -4.263 -4.768 245 HG LEU 32 HG LEU 32 -10.792 -3.554 -2.819 246 HD11 LEU 32 1HD1 LEU 32 -8.436 -3.971 -3.473 247 HD12 LEU 32 2HD1 LEU 32 -9.005 -5.141 -4.661 248 HD13 LEU 32 3HD1 LEU 32 -9.281 -5.423 -2.944 249 HD21 LEU 32 3HD2 LEU 32 -11.366 -2.170 -4.732 250 HD22 LEU 32 1HD2 LEU 32 -10.241 -3.068 -5.749 251 HD23 LEU 32 2HD2 LEU 32 -9.633 -2.086 -4.417 252 H LEU 33 H LEU 33 -11.586 -5.454 -0.785 253 HA LEU 33 HA LEU 33 -9.450 -7.415 -0.925 254 HB2 LEU 33 2HB LEU 33 -10.464 -5.763 1.397 255 HB3 LEU 33 3HB LEU 33 -9.010 -6.740 1.402 256 HG LEU 33 HG LEU 33 -9.472 -4.326 -0.363 257 HD11 LEU 33 1HD1 LEU 33 -7.769 -4.648 2.111 258 HD12 LEU 33 2HD1 LEU 33 -9.232 -3.675 1.963 259 HD13 LEU 33 3HD1 LEU 33 -7.788 -3.237 1.052 260 HD21 LEU 33 3HD2 LEU 33 -7.012 -6.031 0.043 261 HD22 LEU 33 1HD2 LEU 33 -7.089 -4.543 -0.902 262 HD23 LEU 33 2HD2 LEU 33 -8.006 -5.958 -1.414 263 H LYS 34 H LYS 34 -9.811 -9.547 -0.598 264 HA LYS 34 HA LYS 34 -12.163 -10.321 1.028 265 HB2 LYS 34 2HB LYS 34 -12.533 -12.184 -0.566 266 HB3 LYS 34 3HB LYS 34 -12.698 -10.596 -1.306 267 HG2 LYS 34 2HG LYS 34 -10.351 -10.833 -2.154 268 HG3 LYS 34 3HG LYS 34 -10.370 -12.495 -1.564 269 HD2 LYS 34 2HD LYS 34 -12.237 -11.319 -3.629 270 HD3 LYS 34 3HD LYS 34 -10.879 -12.396 -3.953 271 HE2 LYS 34 2HE LYS 34 -11.985 -14.142 -2.589 272 HE3 LYS 34 3HE LYS 34 -13.362 -13.060 -2.364 273 HZ1 LYS 34 3HZ LYS 34 -13.795 -14.603 -4.142 274 HZ2 LYS 34 1HZ LYS 34 -12.384 -14.140 -4.951 275 HZ3 LYS 34 2HZ LYS 34 -13.660 -13.044 -4.781 276 H LYS 35 H LYS 35 -8.940 -11.386 -0.087 277 HA LYS 35 HA LYS 35 -8.939 -13.383 2.099 278 HB2 LYS 35 2HB LYS 35 -7.344 -14.695 0.805 279 HB3 LYS 35 3HB LYS 35 -8.803 -14.407 -0.132 280 HG2 LYS 35 2HG LYS 35 -7.678 -12.665 -1.400 281 HG3 LYS 35 3HG LYS 35 -6.224 -12.871 -0.426 282 HD2 LYS 35 2HD LYS 35 -5.987 -14.001 -2.570 283 HD3 LYS 35 3HD LYS 35 -5.999 -15.176 -1.253 284 HE2 LYS 35 2HE LYS 35 -8.347 -15.681 -1.717 285 HE3 LYS 35 3HE LYS 35 -8.361 -14.477 -3.007 286 HZ1 LYS 35 3HZ LYS 35 -8.055 -16.835 -3.727 287 HZ2 LYS 35 1HZ LYS 35 -6.533 -16.807 -2.994 288 HZ3 LYS 35 2HZ LYS 35 -6.869 -15.766 -4.285 289 H GLN 36 H GLN 36 -6.920 -13.760 3.201 290 HA GLN 36 HA GLN 36 -5.666 -11.366 4.005 291 HB2 GLN 36 2HB GLN 36 -5.898 -13.292 5.494 292 HB3 GLN 36 3HB GLN 36 -4.805 -14.227 4.483 293 HG2 GLN 36 2HG GLN 36 -2.939 -12.930 5.111 294 HG3 GLN 36 3HG GLN 36 -3.953 -11.662 5.801 295 HE21 GLN 36 1HE2 GLN 36 -2.918 -11.777 7.800 296 HE22 GLN 36 2HE2 GLN 36 -3.145 -13.110 8.879 297 H GLY 37 H GLY 37 -4.524 -10.233 2.587 298 HA2 GLY 37 2HA GLY 37 -1.991 -10.407 1.909 299 HA3 GLY 37 3HA GLY 37 -2.655 -11.555 0.755 300 H ASP 38 H ASP 38 -5.091 -10.184 0.204 301 HA ASP 38 HA ASP 38 -4.390 -8.690 -2.005 302 HB2 ASP 38 2HB ASP 38 -6.911 -8.376 -0.353 303 HB3 ASP 38 3HB ASP 38 -6.705 -7.841 -2.016 304 H PHE 39 H PHE 39 -3.717 -6.634 -2.374 305 HA PHE 39 HA PHE 39 -4.315 -4.543 -0.432 306 HB2 PHE 39 2HB PHE 39 -2.012 -3.762 -0.283 307 HB3 PHE 39 3HB PHE 39 -2.130 -5.423 0.277 308 HD1 PHE 39 HD1 PHE 39 -1.240 -7.269 -1.126 309 HD2 PHE 39 HD2 PHE 39 -0.673 -3.177 -2.170 310 HE1 PHE 39 HE1 PHE 39 0.578 -7.908 -2.651 311 HE2 PHE 39 HE2 PHE 39 1.142 -3.817 -3.698 312 HZ PHE 39 HZ PHE 39 1.771 -6.184 -3.939 313 H LEU 40 H LEU 40 -4.306 -2.452 -1.229 314 HA LEU 40 HA LEU 40 -3.464 -1.956 -3.984 315 HB2 LEU 40 2HB LEU 40 -5.524 -0.993 -4.694 316 HB3 LEU 40 3HB LEU 40 -5.886 -2.590 -4.070 317 HG LEU 40 HG LEU 40 -6.223 -0.156 -2.323 318 HD11 LEU 40 1HD1 LEU 40 -7.481 0.286 -4.377 319 HD12 LEU 40 2HD1 LEU 40 -8.550 -0.001 -3.004 320 HD13 LEU 40 3HD1 LEU 40 -8.302 -1.266 -4.209 321 HD21 LEU 40 3HD2 LEU 40 -6.296 -2.353 -1.246 322 HD22 LEU 40 1HD2 LEU 40 -7.574 -2.858 -2.352 323 HD23 LEU 40 2HD2 LEU 40 -7.872 -1.562 -1.196 324 H VAL 41 H VAL 41 -3.185 0.302 -4.474 325 HA VAL 41 HA VAL 41 -3.126 2.069 -2.107 326 HB VAL 41 HB VAL 41 -1.481 2.225 -4.645 327 HG11 VAL 41 1HG1 VAL 41 -2.012 4.472 -3.866 328 HG12 VAL 41 2HG1 VAL 41 -0.315 4.110 -3.552 329 HG13 VAL 41 3HG1 VAL 41 -1.487 4.056 -2.235 330 HG21 VAL 41 3HG2 VAL 41 0.420 1.764 -3.179 331 HG22 VAL 41 1HG2 VAL 41 -0.770 0.465 -3.089 332 HG23 VAL 41 2HG2 VAL 41 -0.662 1.653 -1.790 333 H ARG 42 H ARG 42 -4.368 3.865 -2.091 334 HA ARG 42 HA ARG 42 -5.634 4.711 -4.632 335 HB2 ARG 42 2HB ARG 42 -7.698 5.135 -3.518 336 HB3 ARG 42 3HB ARG 42 -7.194 3.523 -3.024 337 HG2 ARG 42 2HG ARG 42 -6.437 4.356 -0.893 338 HG3 ARG 42 3HG ARG 42 -6.762 6.017 -1.387 339 HD2 ARG 42 2HD ARG 42 -9.192 5.235 -1.722 340 HD3 ARG 42 3HD ARG 42 -8.723 3.824 -0.775 341 HE ARG 42 HE ARG 42 -8.347 5.244 1.092 342 HH11 ARG 42 1HH1 ARG 42 -9.761 6.863 -1.601 343 HH12 ARG 42 2HH1 ARG 42 -10.241 8.232 -0.660 344 HH21 ARG 42 1HH2 ARG 42 -8.987 7.028 2.286 345 HH22 ARG 42 2HH2 ARG 42 -9.807 8.330 1.492 346 H GLU 43 H GLU 43 -6.317 6.999 -4.668 347 HA GLU 43 HA GLU 43 -4.515 8.699 -3.053 348 HB2 GLU 43 2HB GLU 43 -4.195 8.704 -5.543 349 HB3 GLU 43 3HB GLU 43 -5.819 9.358 -5.707 350 HG2 GLU 43 2HG GLU 43 -5.096 11.327 -4.355 351 HG3 GLU 43 3HG GLU 43 -3.455 10.679 -4.378 352 H SER 44 H SER 44 -5.347 10.333 -1.813 353 HA SER 44 HA SER 44 -8.183 10.344 -1.299 354 HB2 SER 44 2HB SER 44 -6.709 10.643 0.592 355 HB3 SER 44 3HB SER 44 -5.942 12.041 -0.162 356 HG SER 44 HG SER 44 -8.005 12.060 1.449 357 H HIS 45 H HIS 45 -9.651 12.050 -1.563 358 HA HIS 45 HA HIS 45 -9.008 13.914 -3.731 359 HB2 HIS 45 2HB HIS 45 -11.623 13.157 -2.411 360 HB3 HIS 45 3HB HIS 45 -11.490 14.422 -3.627 361 HD1 HIS 45 HD1 HIS 45 -11.654 13.693 -6.007 362 HD2 HIS 45 HD2 HIS 45 -10.891 10.518 -3.439 363 HE1 HIS 45 HE1 HIS 45 -11.883 11.624 -7.412 364 HE2 HIS 45 HE2 HIS 45 -11.619 9.722 -5.790 365 H GLY 46 H GLY 46 -10.072 13.943 -0.346 366 HA2 GLY 46 2HA GLY 46 -10.273 16.768 -0.095 367 HA3 GLY 46 3HA GLY 46 -10.089 15.624 1.228 368 H LYS 47 H LYS 47 -7.624 14.487 0.471 369 HA LYS 47 HA LYS 47 -5.766 16.770 0.746 370 HB2 LYS 47 2HB LYS 47 -5.817 15.159 2.641 371 HB3 LYS 47 3HB LYS 47 -5.368 13.871 1.537 372 HG2 LYS 47 2HG LYS 47 -3.402 14.491 2.681 373 HG3 LYS 47 3HG LYS 47 -3.257 15.161 1.054 374 HD2 LYS 47 2HD LYS 47 -3.891 17.358 1.873 375 HD3 LYS 47 3HD LYS 47 -4.165 16.706 3.493 376 HE2 LYS 47 2HE LYS 47 -1.770 16.058 3.582 377 HE3 LYS 47 3HE LYS 47 -1.530 16.834 2.016 378 HZ1 LYS 47 3HZ LYS 47 -2.465 18.193 4.486 379 HZ2 LYS 47 1HZ LYS 47 -2.197 18.931 2.989 380 HZ3 LYS 47 2HZ LYS 47 -0.900 18.279 3.854 381 HA PRO 48 HA PRO 48 -5.183 15.215 -3.585 382 HB2 PRO 48 2HB PRO 48 -3.855 17.873 -3.800 383 HB3 PRO 48 3HB PRO 48 -5.068 17.131 -4.851 384 HG2 PRO 48 2HG PRO 48 -5.741 19.109 -3.197 385 HG3 PRO 48 3HG PRO 48 -6.834 17.736 -3.462 386 HD2 PRO 48 2HD PRO 48 -5.009 18.286 -1.140 387 HD3 PRO 48 3HD PRO 48 -6.668 17.649 -1.144 388 H GLY 49 H GLY 49 -3.629 13.670 -3.402 389 HA2 GLY 49 2HA GLY 49 -1.288 13.291 -4.089 390 HA3 GLY 49 3HA GLY 49 -0.839 14.585 -2.992 391 H GLU 50 H GLU 50 -3.130 13.109 -1.261 392 HA GLU 50 HA GLU 50 -1.245 11.552 0.284 393 HB2 GLU 50 2HB GLU 50 -2.937 12.888 1.437 394 HB3 GLU 50 3HB GLU 50 -4.223 11.980 0.653 395 HG2 GLU 50 2HG GLU 50 -3.488 9.944 1.819 396 HG3 GLU 50 3HG GLU 50 -2.212 10.869 2.610 397 H TYR 51 H TYR 51 -0.720 9.547 -0.299 398 HA TYR 51 HA TYR 51 -2.724 7.853 -1.622 399 HB2 TYR 51 2HB TYR 51 0.284 7.591 -1.426 400 HB3 TYR 51 3HB TYR 51 -0.763 6.386 -2.169 401 HD1 TYR 51 HD2 TYR 51 0.524 9.830 -2.461 402 HD2 TYR 51 HD1 TYR 51 -1.691 6.731 -4.356 403 HE1 TYR 51 HE2 TYR 51 0.623 11.063 -4.580 404 HE2 TYR 51 HE1 TYR 51 -1.597 7.963 -6.483 405 HH TYR 51 HH TYR 51 -1.309 10.444 -7.168 406 H VAL 52 H VAL 52 -3.712 6.312 -0.543 407 HA VAL 52 HA VAL 52 -2.624 5.449 2.065 408 HB VAL 52 HB VAL 52 -5.505 5.375 1.124 409 HG11 VAL 52 1HG1 VAL 52 -4.286 4.786 3.827 410 HG12 VAL 52 2HG1 VAL 52 -5.041 3.624 2.737 411 HG13 VAL 52 3HG1 VAL 52 -6.014 4.885 3.491 412 HG21 VAL 52 3HG2 VAL 52 -5.886 7.223 2.696 413 HG22 VAL 52 1HG2 VAL 52 -4.739 7.677 1.435 414 HG23 VAL 52 2HG2 VAL 52 -4.159 7.281 3.053 415 H LEU 53 H LEU 53 -1.890 3.426 2.172 416 HA LEU 53 HA LEU 53 -2.552 1.461 0.129 417 HB2 LEU 53 2HB LEU 53 -0.245 1.613 0.850 418 HB3 LEU 53 3HB LEU 53 -0.707 1.381 2.525 419 HG LEU 53 HG LEU 53 -1.453 -0.934 1.962 420 HD11 LEU 53 1HD1 LEU 53 -0.769 -1.928 -0.163 421 HD12 LEU 53 2HD1 LEU 53 -0.207 -0.353 -0.727 422 HD13 LEU 53 3HD1 LEU 53 -1.922 -0.617 -0.406 423 HD21 LEU 53 3HD2 LEU 53 1.424 -0.292 1.295 424 HD22 LEU 53 1HD2 LEU 53 0.801 -1.875 1.758 425 HD23 LEU 53 2HD2 LEU 53 0.758 -0.540 2.910 426 H SER 54 H SER 54 -3.948 -0.193 0.374 427 HA SER 54 HA SER 54 -5.103 -0.670 3.051 428 HB2 SER 54 2HB SER 54 -6.590 -0.706 0.408 429 HB3 SER 54 3HB SER 54 -7.287 -1.076 1.985 430 HG SER 54 HG SER 54 -6.279 1.402 1.046 431 H VAL 55 H VAL 55 -4.233 -2.554 3.647 432 HA VAL 55 HA VAL 55 -4.303 -4.808 1.736 433 HB VAL 55 HB VAL 55 -2.010 -4.227 2.217 434 HG11 VAL 55 1HG1 VAL 55 -1.086 -4.260 4.491 435 HG12 VAL 55 2HG1 VAL 55 -2.702 -4.531 5.142 436 HG13 VAL 55 3HG1 VAL 55 -2.332 -3.024 4.305 437 HG21 VAL 55 3HG2 VAL 55 -2.813 -6.734 3.717 438 HG22 VAL 55 1HG2 VAL 55 -1.185 -6.354 3.153 439 HG23 VAL 55 2HG2 VAL 55 -2.484 -6.608 1.988 440 H TYR 56 H TYR 56 -5.286 -6.664 2.337 441 HA TYR 56 HA TYR 56 -6.823 -6.652 4.823 442 HB2 TYR 56 2HB TYR 56 -7.896 -7.155 2.641 443 HB3 TYR 56 3HB TYR 56 -6.892 -8.588 2.495 444 HD1 TYR 56 HD2 TYR 56 -7.262 -10.515 4.025 445 HD2 TYR 56 HD1 TYR 56 -9.859 -7.142 4.032 446 HE1 TYR 56 HE2 TYR 56 -8.963 -11.838 5.200 447 HE2 TYR 56 HE1 TYR 56 -11.568 -8.457 5.213 448 HH TYR 56 HH TYR 56 -10.920 -11.514 6.606 449 H SER 57 H SER 57 -5.829 -7.483 6.580 450 HA SER 57 HA SER 57 -4.716 -10.182 6.390 451 HB2 SER 57 2HB SER 57 -2.761 -8.682 6.123 452 HB3 SER 57 3HB SER 57 -3.150 -7.919 7.664 453 HG SER 57 HG SER 57 -1.526 -9.635 7.732 454 H ASP 58 H ASP 58 -5.046 -11.419 8.187 455 HA ASP 58 HA ASP 58 -5.830 -12.098 10.207 456 HB2 ASP 58 2HB ASP 58 -4.013 -10.503 10.945 457 HB3 ASP 58 3HB ASP 58 -5.253 -9.270 11.136 458 H GLY 59 H GLY 59 -7.671 -10.992 8.246 459 HA2 GLY 59 2HA GLY 59 -9.978 -10.857 8.172 460 HA3 GLY 59 3HA GLY 59 -10.007 -10.886 9.925 461 H GLN 60 H GLN 60 -7.962 -8.427 8.804 462 HA GLN 60 HA GLN 60 -10.144 -6.438 8.943 463 HB2 GLN 60 2HB GLN 60 -7.413 -6.260 10.236 464 HB3 GLN 60 3HB GLN 60 -8.552 -4.924 10.133 465 HG2 GLN 60 2HG GLN 60 -10.163 -6.201 11.474 466 HG3 GLN 60 3HG GLN 60 -9.006 -7.526 11.590 467 HE21 GLN 60 1HE2 GLN 60 -9.765 -4.294 12.614 468 HE22 GLN 60 2HE2 GLN 60 -8.607 -4.210 13.891 469 H ARG 61 H ARG 61 -9.928 -4.565 7.714 470 HA ARG 61 HA ARG 61 -7.956 -4.608 5.569 471 HB2 ARG 61 2HB ARG 61 -10.342 -2.872 6.178 472 HB3 ARG 61 3HB ARG 61 -9.148 -2.360 4.995 473 HG2 ARG 61 2HG ARG 61 -10.849 -3.375 3.754 474 HG3 ARG 61 3HG ARG 61 -9.556 -4.566 3.822 475 HD2 ARG 61 2HD ARG 61 -10.742 -5.775 5.580 476 HD3 ARG 61 3HD ARG 61 -12.019 -4.556 5.576 477 HE ARG 61 HE ARG 61 -11.548 -5.807 3.016 478 HH11 ARG 61 1HH1 ARG 61 -13.310 -6.048 5.968 479 HH12 ARG 61 2HH1 ARG 61 -14.601 -6.940 5.235 480 HH21 ARG 61 1HH2 ARG 61 -13.194 -6.980 2.112 481 HH22 ARG 61 2HH2 ARG 61 -14.537 -7.459 3.095 482 H ARG 62 H ARG 62 -5.960 -4.037 6.253 483 HA ARG 62 HA ARG 62 -5.565 -1.930 8.199 484 HB2 ARG 62 2HB ARG 62 -3.665 -3.740 6.706 485 HB3 ARG 62 3HB ARG 62 -3.112 -2.464 7.783 486 HG2 ARG 62 2HG ARG 62 -4.914 -4.740 8.597 487 HG3 ARG 62 3HG ARG 62 -3.170 -4.683 8.863 488 HD2 ARG 62 2HD ARG 62 -3.444 -2.674 10.241 489 HD3 ARG 62 3HD ARG 62 -5.185 -2.714 9.959 490 HE ARG 62 HE ARG 62 -4.714 -5.135 11.035 491 HH11 ARG 62 1HH1 ARG 62 -3.802 -1.970 12.018 492 HH12 ARG 62 2HH1 ARG 62 -3.855 -2.357 13.699 493 HH21 ARG 62 1HH2 ARG 62 -4.768 -5.629 13.191 494 HH22 ARG 62 2HH2 ARG 62 -4.394 -4.412 14.363 495 H HIS 63 H HIS 63 -5.484 0.142 7.667 496 HA HIS 63 HA HIS 63 -4.705 0.895 4.921 497 HB2 HIS 63 2HB HIS 63 -6.323 2.510 6.910 498 HB3 HIS 63 3HB HIS 63 -6.027 2.912 5.220 499 HD1 HIS 63 HD1 HIS 63 -7.228 1.377 3.424 500 HD2 HIS 63 HD2 HIS 63 -8.450 0.801 7.352 501 HE1 HIS 63 HE1 HIS 63 -9.392 0.122 3.277 502 HE2 HIS 63 HE2 HIS 63 -10.168 -0.111 5.654 503 H PHE 64 H PHE 64 -2.741 1.751 4.719 504 HA PHE 64 HA PHE 64 -1.573 3.245 6.990 505 HB2 PHE 64 2HB PHE 64 -0.069 1.757 4.816 506 HB3 PHE 64 3HB PHE 64 0.621 2.513 6.249 507 HD1 PHE 64 HD2 PHE 64 -0.465 1.627 8.530 508 HD2 PHE 64 HD1 PHE 64 -0.339 -0.526 4.858 509 HE1 PHE 64 HE2 PHE 64 -0.703 -0.487 9.763 510 HE2 PHE 64 HE1 PHE 64 -0.584 -2.641 6.086 511 HZ PHE 64 HZ PHE 64 -0.761 -2.625 8.542 512 H ILE 65 H ILE 65 -1.217 5.352 6.635 513 HA ILE 65 HA ILE 65 -1.464 6.461 3.955 514 HB ILE 65 HB ILE 65 -1.041 7.839 6.624 515 HG12 ILE 65 2HG1 ILE 65 -3.535 7.501 4.929 516 HG13 ILE 65 3HG1 ILE 65 -3.213 6.694 6.459 517 HG21 ILE 65 1HG2 ILE 65 -0.177 9.219 4.820 518 HG22 ILE 65 2HG2 ILE 65 -1.680 9.907 5.429 519 HG23 ILE 65 3HG2 ILE 65 -1.672 9.013 3.909 520 HD11 ILE 65 3HD1 ILE 65 -3.226 8.874 7.587 521 HD12 ILE 65 1HD1 ILE 65 -4.750 8.527 6.770 522 HD13 ILE 65 2HD1 ILE 65 -3.600 9.651 6.049 523 H ILE 66 H ILE 66 0.185 7.281 2.743 524 HA ILE 66 HA ILE 66 2.905 6.669 3.551 525 HB ILE 66 HB ILE 66 1.905 7.950 0.992 526 HG12 ILE 66 2HG1 ILE 66 2.587 5.055 1.591 527 HG13 ILE 66 3HG1 ILE 66 0.968 5.695 1.327 528 HG21 ILE 66 1HG2 ILE 66 4.576 6.712 1.675 529 HG22 ILE 66 2HG2 ILE 66 4.255 8.419 1.376 530 HG23 ILE 66 3HG2 ILE 66 4.085 7.249 0.068 531 HD11 ILE 66 3HD1 ILE 66 1.555 6.253 -0.972 532 HD12 ILE 66 1HD1 ILE 66 1.815 4.540 -0.639 533 HD13 ILE 66 2HD1 ILE 66 3.190 5.642 -0.705 534 H GLN 67 H GLN 67 4.054 8.078 4.755 535 HA GLN 67 HA GLN 67 3.498 10.928 4.685 536 HB2 GLN 67 2HB GLN 67 5.570 9.351 6.234 537 HB3 GLN 67 3HB GLN 67 5.337 11.086 6.379 538 HG2 GLN 67 2HG GLN 67 4.208 10.149 8.207 539 HG3 GLN 67 3HG GLN 67 2.947 10.579 7.052 540 HE21 GLN 67 1HE2 GLN 67 1.472 9.095 7.845 541 HE22 GLN 67 2HE2 GLN 67 1.666 7.391 7.633 542 H TYR 68 H TYR 68 4.805 12.525 3.879 543 HA TYR 68 HA TYR 68 6.878 11.674 1.970 544 HB2 TYR 68 2HB TYR 68 4.917 13.023 1.179 545 HB3 TYR 68 3HB TYR 68 5.453 14.342 2.208 546 HD1 TYR 68 HD1 TYR 68 6.864 12.106 -0.454 547 HD2 TYR 68 HD2 TYR 68 6.636 16.038 1.163 548 HE1 TYR 68 HE1 TYR 68 8.227 12.947 -2.320 549 HE2 TYR 68 HE2 TYR 68 8.002 16.888 -0.696 550 HH TYR 68 HH TYR 68 9.637 16.041 -2.331 551 H VAL 69 H VAL 69 8.802 11.560 3.087 552 HA VAL 69 HA VAL 69 9.651 13.963 4.597 553 HB VAL 69 HB VAL 69 10.249 11.087 5.338 554 HG11 VAL 69 1HG1 VAL 69 11.307 12.042 7.351 555 HG12 VAL 69 2HG1 VAL 69 11.052 13.663 6.705 556 HG13 VAL 69 3HG1 VAL 69 12.127 12.541 5.871 557 HG21 VAL 69 3HG2 VAL 69 7.946 11.689 5.861 558 HG22 VAL 69 1HG2 VAL 69 8.495 13.138 6.704 559 HG23 VAL 69 2HG2 VAL 69 8.891 11.542 7.345 560 H ASP 70 H ASP 70 11.547 14.818 3.985 561 HA ASP 70 HA ASP 70 13.418 15.228 2.766 562 HB2 ASP 70 2HB ASP 70 13.896 12.312 3.411 563 HB3 ASP 70 3HB ASP 70 15.108 13.356 2.676 564 H ASN 71 H ASN 71 11.101 14.647 1.265 565 HA ASN 71 HA ASN 71 10.412 14.310 -0.867 566 HB2 ASN 71 2HB ASN 71 13.371 14.073 -1.456 567 HB3 ASN 71 3HB ASN 71 12.109 14.192 -2.679 568 HD21 ASN 71 1HD2 ASN 71 14.337 15.973 -2.140 569 HD22 ASN 71 2HD2 ASN 71 13.639 17.523 -1.847 570 H MET 72 H MET 72 11.289 11.991 1.041 571 HA MET 72 HA MET 72 11.024 9.850 -0.974 572 HB2 MET 72 2HB MET 72 12.259 9.694 1.788 573 HB3 MET 72 3HB MET 72 12.072 8.341 0.683 574 HG2 MET 72 2HG MET 72 13.545 9.498 -0.931 575 HG3 MET 72 3HG MET 72 13.777 10.788 0.250 576 HE1 MET 72 3HE MET 72 17.238 8.928 0.279 577 HE2 MET 72 1HE MET 72 16.432 10.487 0.103 578 HE3 MET 72 2HE MET 72 16.191 9.227 -1.108 579 H TYR 73 H TYR 73 9.427 8.364 -0.757 580 HA TYR 73 HA TYR 73 7.237 8.992 1.046 581 HB2 TYR 73 2HB TYR 73 7.476 6.879 -1.114 582 HB3 TYR 73 3HB TYR 73 5.995 7.323 -0.273 583 HD1 TYR 73 HD2 TYR 73 4.969 9.555 -0.660 584 HD2 TYR 73 HD1 TYR 73 8.322 8.213 -2.929 585 HE1 TYR 73 HE2 TYR 73 4.532 11.301 -2.331 586 HE2 TYR 73 HE1 TYR 73 7.889 9.961 -4.607 587 HH TYR 73 HH TYR 73 5.736 12.546 -4.056 588 H ARG 74 H ARG 74 6.862 7.964 2.933 589 HA ARG 74 HA ARG 74 8.044 5.305 3.407 590 HB2 ARG 74 2HB ARG 74 8.751 6.153 5.701 591 HB3 ARG 74 3HB ARG 74 9.700 6.703 4.329 592 HG2 ARG 74 2HG ARG 74 9.326 8.828 4.862 593 HG3 ARG 74 3HG ARG 74 7.583 8.580 4.795 594 HD2 ARG 74 2HD ARG 74 9.272 7.879 7.193 595 HD3 ARG 74 3HD ARG 74 8.487 9.445 6.983 596 HE ARG 74 HE ARG 74 6.504 7.534 6.679 597 HH11 ARG 74 1HH1 ARG 74 8.689 8.528 9.156 598 HH12 ARG 74 2HH1 ARG 74 7.605 8.097 10.431 599 HH21 ARG 74 1HH2 ARG 74 5.126 6.994 8.323 600 HH22 ARG 74 2HH2 ARG 74 5.617 7.236 9.964 601 H PHE 75 H PHE 75 6.971 3.996 4.876 602 HA PHE 75 HA PHE 75 4.284 4.857 5.680 603 HB2 PHE 75 2HB PHE 75 5.603 2.142 5.537 604 HB3 PHE 75 3HB PHE 75 4.039 2.386 6.302 605 HD1 PHE 75 HD1 PHE 75 2.195 3.463 4.873 606 HD2 PHE 75 HD2 PHE 75 5.727 1.711 3.254 607 HE1 PHE 75 HE1 PHE 75 1.058 3.179 2.714 608 HE2 PHE 75 HE2 PHE 75 4.595 1.434 1.088 609 HZ PHE 75 HZ PHE 75 2.260 2.167 0.813 610 H GLU 76 H GLU 76 6.714 2.766 7.259 611 HA GLU 76 HA GLU 76 5.797 3.607 9.880 612 HB2 GLU 76 2HB GLU 76 6.315 1.225 9.379 613 HB3 GLU 76 3HB GLU 76 7.997 1.665 9.126 614 HG2 GLU 76 2HG GLU 76 7.820 0.734 11.303 615 HG3 GLU 76 3HG GLU 76 8.070 2.467 11.494 616 H GLY 77 H GLY 77 9.081 3.240 8.540 617 HA2 GLY 77 2HA GLY 77 9.759 5.957 9.437 618 HA3 GLY 77 3HA GLY 77 10.719 4.618 10.052 619 H THR 78 H THR 78 10.927 3.029 7.804 620 HA THR 78 HA THR 78 12.831 4.495 6.192 621 HB THR 78 HB THR 78 13.401 2.221 6.781 622 HG1 THR 78 HG1 THR 78 14.039 2.978 4.668 623 HG21 THR 78 3HG2 THR 78 12.132 0.294 5.980 624 HG22 THR 78 1HG2 THR 78 10.931 1.367 5.260 625 HG23 THR 78 2HG2 THR 78 11.128 1.313 7.011 626 H GLY 79 H GLY 79 12.747 4.818 3.936 627 HA2 GLY 79 2HA GLY 79 10.293 4.233 2.483 628 HA3 GLY 79 3HA GLY 79 10.577 5.933 2.810 629 H PHE 80 H PHE 80 10.339 5.395 0.269 630 HA PHE 80 HA PHE 80 13.091 5.363 -0.806 631 HB2 PHE 80 2HB PHE 80 10.666 3.914 -1.880 632 HB3 PHE 80 3HB PHE 80 12.084 4.241 -2.872 633 HD1 PHE 80 HD1 PHE 80 10.945 2.511 0.208 634 HD2 PHE 80 HD2 PHE 80 13.979 2.863 -2.758 635 HE1 PHE 80 HE1 PHE 80 12.022 0.480 1.078 636 HE2 PHE 80 HE2 PHE 80 15.063 0.832 -1.889 637 HZ PHE 80 HZ PHE 80 14.084 -0.363 0.030 638 H SER 81 H SER 81 13.270 6.345 -2.992 639 HA SER 81 HA SER 81 12.175 8.965 -2.979 640 HB2 SER 81 2HB SER 81 13.362 9.231 -5.150 641 HB3 SER 81 3HB SER 81 14.392 8.544 -3.895 642 HG SER 81 HG SER 81 14.307 7.536 -6.128 643 H ASN 82 H ASN 82 11.077 6.013 -4.406 644 HA ASN 82 HA ASN 82 8.905 7.487 -5.761 645 HB2 ASN 82 2HB ASN 82 10.343 5.031 -6.803 646 HB3 ASN 82 3HB ASN 82 8.895 5.730 -7.522 647 HD21 ASN 82 1HD2 ASN 82 12.303 6.149 -6.975 648 HD22 ASN 82 2HD2 ASN 82 12.530 7.395 -8.147 649 H ILE 83 H ILE 83 6.858 6.712 -5.440 650 HA ILE 83 HA ILE 83 6.254 4.984 -3.343 651 HB ILE 83 HB ILE 83 4.502 5.714 -5.700 652 HG12 ILE 83 2HG1 ILE 83 4.700 6.881 -2.911 653 HG13 ILE 83 3HG1 ILE 83 5.284 7.645 -4.385 654 HG21 ILE 83 1HG2 ILE 83 3.730 4.498 -3.042 655 HG22 ILE 83 2HG2 ILE 83 3.658 3.702 -4.615 656 HG23 ILE 83 3HG2 ILE 83 2.604 5.074 -4.271 657 HD11 ILE 83 3HD1 ILE 83 2.409 7.020 -3.736 658 HD12 ILE 83 1HD1 ILE 83 2.993 7.782 -5.218 659 HD13 ILE 83 2HD1 ILE 83 3.178 8.607 -3.671 660 HA PRO 84 HA PRO 84 5.375 1.466 -6.727 661 HB2 PRO 84 2HB PRO 84 7.194 1.677 -8.836 662 HB3 PRO 84 3HB PRO 84 5.480 2.092 -8.917 663 HG2 PRO 84 2HG PRO 84 7.846 3.877 -8.493 664 HG3 PRO 84 3HG PRO 84 6.383 4.157 -9.458 665 HD2 PRO 84 2HD PRO 84 6.682 5.303 -7.063 666 HD3 PRO 84 3HD PRO 84 5.099 4.686 -7.584 667 H GLN 85 H GLN 85 8.594 2.901 -6.287 668 HA GLN 85 HA GLN 85 9.994 0.411 -6.135 669 HB2 GLN 85 2HB GLN 85 10.726 3.218 -5.288 670 HB3 GLN 85 3HB GLN 85 11.826 1.854 -5.131 671 HG2 GLN 85 2HG GLN 85 10.603 2.716 -7.745 672 HG3 GLN 85 3HG GLN 85 12.167 3.275 -7.159 673 HE21 GLN 85 1HE2 GLN 85 10.377 0.540 -8.350 674 HE22 GLN 85 2HE2 GLN 85 11.745 -0.457 -8.688 675 H LEU 86 H LEU 86 8.790 2.693 -3.690 676 HA LEU 86 HA LEU 86 9.569 1.402 -1.365 677 HB2 LEU 86 2HB LEU 86 8.527 3.595 -1.382 678 HB3 LEU 86 3HB LEU 86 7.024 2.914 -1.973 679 HG LEU 86 HG LEU 86 6.748 1.701 0.174 680 HD11 LEU 86 1HD1 LEU 86 9.084 1.498 0.824 681 HD12 LEU 86 2HD1 LEU 86 8.150 2.293 2.090 682 HD13 LEU 86 3HD1 LEU 86 9.195 3.246 1.035 683 HD21 LEU 86 3HD2 LEU 86 7.111 4.692 0.403 684 HD22 LEU 86 1HD2 LEU 86 6.202 3.684 1.530 685 HD23 LEU 86 2HD2 LEU 86 5.661 3.848 -0.139 686 H ILE 87 H ILE 87 6.451 0.990 -3.063 687 HA ILE 87 HA ILE 87 5.486 -1.128 -1.479 688 HB ILE 87 HB ILE 87 4.811 -0.432 -4.347 689 HG12 ILE 87 2HG1 ILE 87 4.391 1.408 -2.767 690 HG13 ILE 87 3HG1 ILE 87 2.882 0.749 -3.385 691 HG21 ILE 87 1HG2 ILE 87 2.733 -1.681 -3.999 692 HG22 ILE 87 2HG2 ILE 87 3.282 -2.160 -2.394 693 HG23 ILE 87 3HG2 ILE 87 4.143 -2.725 -3.824 694 HD11 ILE 87 3HD1 ILE 87 2.691 1.220 -1.031 695 HD12 ILE 87 1HD1 ILE 87 4.096 0.212 -0.682 696 HD13 ILE 87 2HD1 ILE 87 2.614 -0.522 -1.295 697 H ASP 88 H ASP 88 7.075 -1.232 -4.692 698 HA ASP 88 HA ASP 88 7.006 -4.002 -5.046 699 HB2 ASP 88 2HB ASP 88 7.538 -2.491 -6.877 700 HB3 ASP 88 3HB ASP 88 9.023 -1.991 -6.074 701 H HIS 89 H HIS 89 9.551 -2.004 -3.540 702 HA HIS 89 HA HIS 89 11.388 -4.132 -3.242 703 HB2 HIS 89 2HB HIS 89 11.915 -1.649 -3.168 704 HB3 HIS 89 3HB HIS 89 11.322 -1.658 -1.509 705 HD1 HIS 89 HD1 HIS 89 14.052 -3.171 -3.648 706 HD2 HIS 89 HD2 HIS 89 13.142 -2.550 0.361 707 HE1 HIS 89 HE1 HIS 89 16.125 -3.786 -2.379 708 HE2 HIS 89 HE2 HIS 89 15.623 -3.168 0.005 709 H HIS 90 H HIS 90 8.811 -2.945 -1.108 710 HA HIS 90 HA HIS 90 9.545 -4.707 1.055 711 HB2 HIS 90 2HB HIS 90 7.093 -3.060 0.464 712 HB3 HIS 90 3HB HIS 90 7.103 -4.212 1.796 713 HD1 HIS 90 HD1 HIS 90 7.901 -3.310 3.963 714 HD2 HIS 90 HD2 HIS 90 9.329 -1.096 0.748 715 HE1 HIS 90 HE1 HIS 90 9.141 -1.380 4.973 716 HE2 HIS 90 HE2 HIS 90 10.189 -0.206 3.018 717 H TYR 91 H TYR 91 7.362 -4.916 -1.705 718 HA TYR 91 HA TYR 91 6.076 -7.338 -1.012 719 HB2 TYR 91 2HB TYR 91 5.253 -5.767 -2.747 720 HB3 TYR 91 3HB TYR 91 6.622 -6.190 -3.768 721 HD1 TYR 91 HD1 TYR 91 3.442 -7.393 -2.348 722 HD2 TYR 91 HD2 TYR 91 6.635 -8.263 -5.028 723 HE1 TYR 91 HE1 TYR 91 2.120 -9.219 -3.323 724 HE2 TYR 91 HE2 TYR 91 5.317 -10.097 -6.005 725 HH TYR 91 HH TYR 91 3.433 -11.576 -5.363 726 H THR 92 H THR 92 8.929 -6.687 -3.037 727 HA THR 92 HA THR 92 9.460 -9.355 -3.792 728 HB THR 92 HB THR 92 11.741 -8.549 -4.362 729 HG1 THR 92 HG1 THR 92 11.820 -6.069 -4.097 730 HG21 THR 92 3HG2 THR 92 11.048 -6.892 -6.044 731 HG22 THR 92 1HG2 THR 92 9.499 -6.710 -5.224 732 HG23 THR 92 2HG2 THR 92 9.928 -8.252 -5.971 733 H THR 93 H THR 93 11.019 -7.338 -1.291 734 HA THR 93 HA THR 93 12.648 -9.427 -0.256 735 HB THR 93 HB THR 93 13.107 -7.954 1.638 736 HG1 THR 93 HG1 THR 93 11.430 -5.935 0.678 737 HG21 THR 93 3HG2 THR 93 13.967 -6.011 0.417 738 HG22 THR 93 1HG2 THR 93 12.952 -6.419 -0.966 739 HG23 THR 93 2HG2 THR 93 14.261 -7.499 -0.481 740 H LYS 94 H LYS 94 9.322 -8.803 0.138 741 HA LYS 94 HA LYS 94 7.677 -9.785 1.356 742 HB2 LYS 94 2HB LYS 94 9.001 -11.853 0.716 743 HB3 LYS 94 3HB LYS 94 9.773 -11.764 2.292 744 HG2 LYS 94 2HG LYS 94 7.955 -13.402 2.241 745 HG3 LYS 94 3HG LYS 94 7.640 -12.105 3.395 746 HD2 LYS 94 2HD LYS 94 6.090 -11.055 1.882 747 HD3 LYS 94 3HD LYS 94 6.516 -12.175 0.589 748 HE2 LYS 94 2HE LYS 94 4.353 -12.698 1.713 749 HE3 LYS 94 3HE LYS 94 5.525 -14.015 1.769 750 HZ1 LYS 94 3HZ LYS 94 4.990 -12.109 3.983 751 HZ2 LYS 94 1HZ LYS 94 6.067 -13.408 4.032 752 HZ3 LYS 94 2HZ LYS 94 4.408 -13.692 3.893 753 H GLN 95 H GLN 95 9.288 -7.651 2.475 754 HA GLN 95 HA GLN 95 9.384 -8.234 5.349 755 HB2 GLN 95 2HB GLN 95 10.313 -5.832 3.760 756 HB3 GLN 95 3HB GLN 95 10.415 -5.951 5.512 757 HG2 GLN 95 2HG GLN 95 11.770 -7.809 3.558 758 HG3 GLN 95 3HG GLN 95 12.545 -6.474 4.408 759 HE21 GLN 95 1HE2 GLN 95 11.112 -6.955 6.899 760 HE22 GLN 95 2HE2 GLN 95 11.793 -8.384 7.586 761 H VAL 96 H VAL 96 8.500 -6.614 6.879 762 HA VAL 96 HA VAL 96 5.724 -6.262 6.442 763 HB VAL 96 HB VAL 96 5.669 -5.159 8.626 764 HG11 VAL 96 1HG1 VAL 96 5.729 -7.578 8.621 765 HG12 VAL 96 2HG1 VAL 96 6.667 -6.968 9.988 766 HG13 VAL 96 3HG1 VAL 96 7.493 -7.564 8.545 767 HG21 VAL 96 3HG2 VAL 96 7.748 -4.770 9.894 768 HG22 VAL 96 1HG2 VAL 96 7.669 -3.783 8.433 769 HG23 VAL 96 2HG2 VAL 96 8.688 -5.224 8.473 770 H ILE 97 H ILE 97 4.492 -4.286 6.521 771 HA ILE 97 HA ILE 97 5.704 -2.026 5.144 772 HB ILE 97 HB ILE 97 2.861 -2.534 6.064 773 HG12 ILE 97 2HG1 ILE 97 3.598 -3.962 4.205 774 HG13 ILE 97 3HG1 ILE 97 2.396 -2.799 3.658 775 HG21 ILE 97 1HG2 ILE 97 3.932 -0.224 4.438 776 HG22 ILE 97 2HG2 ILE 97 3.283 -0.140 6.076 777 HG23 ILE 97 3HG2 ILE 97 2.227 -0.567 4.731 778 HD11 ILE 97 3HD1 ILE 97 4.162 -1.416 2.700 779 HD12 ILE 97 1HD1 ILE 97 4.197 -3.054 2.048 780 HD13 ILE 97 2HD1 ILE 97 5.374 -2.567 3.267 781 H THR 98 H THR 98 3.820 -2.450 8.151 782 HA THR 98 HA THR 98 5.545 -0.455 9.470 783 HB THR 98 HB THR 98 3.637 0.452 10.723 784 HG1 THR 98 HG1 THR 98 1.492 -0.125 10.005 785 HG21 THR 98 3HG2 THR 98 4.268 1.585 8.639 786 HG22 THR 98 1HG2 THR 98 2.531 1.699 8.929 787 HG23 THR 98 2HG2 THR 98 3.153 0.556 7.740 788 H LYS 99 H LYS 99 6.274 -1.088 11.438 789 HA LYS 99 HA LYS 99 5.827 -3.740 12.356 790 HB2 LYS 99 2HB LYS 99 7.229 -1.367 13.588 791 HB3 LYS 99 3HB LYS 99 7.126 -2.923 14.403 792 HG2 LYS 99 2HG LYS 99 8.413 -2.403 11.724 793 HG3 LYS 99 3HG LYS 99 9.255 -2.679 13.250 794 HD2 LYS 99 2HD LYS 99 7.450 -4.655 11.833 795 HD3 LYS 99 3HD LYS 99 9.212 -4.713 11.873 796 HE2 LYS 99 2HE LYS 99 9.182 -5.058 14.272 797 HE3 LYS 99 3HE LYS 99 7.431 -4.874 14.309 798 HZ1 LYS 99 3HZ LYS 99 8.104 -7.196 14.384 799 HZ2 LYS 99 1HZ LYS 99 8.892 -7.039 12.896 800 HZ3 LYS 99 2HZ LYS 99 7.212 -6.869 12.988 801 H LYS 100 H LYS 100 4.156 -0.795 12.905 802 HA LYS 100 HA LYS 100 2.939 -1.262 15.382 803 HB2 LYS 100 2HB LYS 100 1.643 0.036 12.970 804 HB3 LYS 100 3HB LYS 100 1.194 0.267 14.656 805 HG2 LYS 100 2HG LYS 100 3.836 1.060 13.438 806 HG3 LYS 100 3HG LYS 100 2.490 2.154 13.745 807 HD2 LYS 100 2HD LYS 100 2.748 2.012 16.071 808 HD3 LYS 100 3HD LYS 100 3.680 0.517 15.972 809 HE2 LYS 100 2HE LYS 100 5.024 2.546 16.557 810 HE3 LYS 100 3HE LYS 100 5.594 1.682 15.133 811 HZ1 LYS 100 3HZ LYS 100 4.586 3.308 13.729 812 HZ2 LYS 100 1HZ LYS 100 5.560 4.104 14.858 813 HZ3 LYS 100 2HZ LYS 100 3.880 4.101 15.047 814 H SER 101 H SER 101 2.065 -2.472 12.155 815 HA SER 101 HA SER 101 -0.069 -4.110 13.400 816 HB2 SER 101 2HB SER 101 0.181 -3.163 10.531 817 HB3 SER 101 3HB SER 101 -1.082 -4.241 11.123 818 HG SER 101 HG SER 101 -1.389 -2.389 12.730 819 H GLY 102 H GLY 102 2.892 -4.255 11.621 820 HA2 GLY 102 2HA GLY 102 4.229 -6.026 11.024 821 HA3 GLY 102 3HA GLY 102 3.210 -7.035 12.034 822 H VAL 103 H VAL 103 2.180 -5.212 9.179 823 HA VAL 103 HA VAL 103 1.262 -7.733 7.996 824 HB VAL 103 HB VAL 103 0.561 -4.900 7.189 825 HG11 VAL 103 1HG1 VAL 103 -1.286 -5.985 5.949 826 HG12 VAL 103 2HG1 VAL 103 -0.608 -7.562 6.354 827 HG13 VAL 103 3HG1 VAL 103 0.304 -6.446 5.338 828 HG21 VAL 103 3HG2 VAL 103 -1.599 -5.342 8.287 829 HG22 VAL 103 1HG2 VAL 103 -0.257 -5.400 9.429 830 HG23 VAL 103 2HG2 VAL 103 -0.988 -6.898 8.850 831 H VAL 104 H VAL 104 1.905 -8.491 6.048 832 HA VAL 104 HA VAL 104 4.040 -7.026 4.614 833 HB VAL 104 HB VAL 104 3.641 -10.032 4.761 834 HG11 VAL 104 1HG1 VAL 104 5.887 -8.403 3.553 835 HG12 VAL 104 2HG1 VAL 104 4.666 -9.308 2.657 836 HG13 VAL 104 3HG1 VAL 104 5.833 -10.162 3.665 837 HG21 VAL 104 3HG2 VAL 104 5.651 -10.060 6.159 838 HG22 VAL 104 1HG2 VAL 104 4.373 -9.103 6.909 839 HG23 VAL 104 2HG2 VAL 104 5.724 -8.298 6.105 840 H LEU 105 H LEU 105 4.093 -7.293 2.268 841 HA LEU 105 HA LEU 105 1.398 -7.348 1.153 842 HB2 LEU 105 2HB LEU 105 4.020 -6.575 -0.129 843 HB3 LEU 105 3HB LEU 105 2.433 -6.372 -0.848 844 HG LEU 105 HG LEU 105 3.466 -4.951 1.613 845 HD11 LEU 105 1HD1 LEU 105 4.472 -4.148 -0.453 846 HD12 LEU 105 2HD1 LEU 105 3.364 -2.949 0.214 847 HD13 LEU 105 3HD1 LEU 105 2.873 -3.933 -1.167 848 HD21 LEU 105 3HD2 LEU 105 1.075 -5.373 1.812 849 HD22 LEU 105 1HD2 LEU 105 0.805 -4.691 0.207 850 HD23 LEU 105 2HD2 LEU 105 1.382 -3.662 1.517 851 H LEU 106 H LEU 106 0.585 -9.092 0.186 852 HA LEU 106 HA LEU 106 2.260 -10.581 -1.689 853 HB2 LEU 106 2HB LEU 106 1.319 -12.760 -0.937 854 HB3 LEU 106 3HB LEU 106 2.410 -12.016 0.211 855 HG LEU 106 HG LEU 106 -0.597 -11.824 0.482 856 HD11 LEU 106 1HD1 LEU 106 -0.467 -13.656 2.089 857 HD12 LEU 106 2HD1 LEU 106 1.247 -13.865 1.729 858 HD13 LEU 106 3HD1 LEU 106 0.038 -14.186 0.485 859 HD21 LEU 106 3HD2 LEU 106 0.672 -10.174 1.759 860 HD22 LEU 106 1HD2 LEU 106 1.655 -11.457 2.467 861 HD23 LEU 106 2HD2 LEU 106 -0.069 -11.358 2.835 862 H ASN 107 H ASN 107 1.116 -11.549 -3.412 863 HA ASN 107 HA ASN 107 -0.365 -11.374 -5.120 864 HB2 ASN 107 2HB ASN 107 -2.657 -12.309 -4.547 865 HB3 ASN 107 3HB ASN 107 -1.269 -13.315 -4.180 866 HD21 ASN 107 1HD2 ASN 107 -3.759 -11.281 -2.791 867 HD22 ASN 107 2HD2 ASN 107 -3.650 -11.927 -1.201 868 HA PRO 108 HA PRO 108 -2.153 -7.189 -4.483 869 HB2 PRO 108 2HB PRO 108 -1.353 -6.163 -6.845 870 HB3 PRO 108 3HB PRO 108 -0.254 -6.312 -5.469 871 HG2 PRO 108 2HG PRO 108 -0.547 -8.106 -7.856 872 HG3 PRO 108 3HG PRO 108 0.934 -7.496 -7.094 873 HD2 PRO 108 2HD PRO 108 -0.060 -9.997 -6.632 874 HD3 PRO 108 3HD PRO 108 0.881 -9.091 -5.428 875 H ILE 109 H ILE 109 -3.949 -6.124 -5.484 876 HA ILE 109 HA ILE 109 -5.552 -7.861 -7.242 877 HB ILE 109 HB ILE 109 -6.366 -5.517 -5.507 878 HG12 ILE 109 2HG1 ILE 109 -5.833 -7.598 -4.273 879 HG13 ILE 109 3HG1 ILE 109 -7.542 -7.190 -4.163 880 HG21 ILE 109 1HG2 ILE 109 -8.078 -7.269 -7.280 881 HG22 ILE 109 2HG2 ILE 109 -7.760 -5.545 -7.489 882 HG23 ILE 109 3HG2 ILE 109 -8.693 -6.106 -6.103 883 HD11 ILE 109 3HD1 ILE 109 -6.349 -9.260 -5.998 884 HD12 ILE 109 1HD1 ILE 109 -8.061 -8.863 -5.849 885 HD13 ILE 109 2HD1 ILE 109 -7.200 -9.575 -4.486 886 HA PRO 110 HA PRO 110 -4.585 -5.142 -10.732 887 HB2 PRO 110 2HB PRO 110 -6.743 -6.033 -12.266 888 HB3 PRO 110 3HB PRO 110 -5.135 -6.760 -12.235 889 HG2 PRO 110 2HG PRO 110 -7.608 -7.560 -10.750 890 HG3 PRO 110 3HG PRO 110 -6.384 -8.585 -11.527 891 HD2 PRO 110 2HD PRO 110 -6.414 -8.265 -8.877 892 HD3 PRO 110 3HD PRO 110 -4.872 -8.325 -9.761 893 H LYS 111 H LYS 111 -5.482 -3.255 -11.697 894 HA LYS 111 HA LYS 111 -7.571 -2.101 -10.001 895 HB2 LYS 111 2HB LYS 111 -6.700 0.108 -10.899 896 HB3 LYS 111 3HB LYS 111 -5.650 -0.802 -9.832 897 HG2 LYS 111 2HG LYS 111 -4.166 -0.127 -11.427 898 HG3 LYS 111 3HG LYS 111 -4.625 -1.705 -12.061 899 HD2 LYS 111 2HD LYS 111 -5.993 -0.750 -13.732 900 HD3 LYS 111 3HD LYS 111 -6.020 0.822 -12.926 901 HE2 LYS 111 2HE LYS 111 -3.610 -0.473 -14.212 902 HE3 LYS 111 3HE LYS 111 -4.554 0.853 -14.890 903 HZ1 LYS 111 3HZ LYS 111 -3.936 2.197 -12.948 904 HZ2 LYS 111 1HZ LYS 111 -2.584 1.707 -13.832 905 HZ3 LYS 111 2HZ LYS 111 -2.964 0.934 -12.376 906 H ASP 112 H ASP 112 -9.099 -0.626 -10.809 907 HA ASP 112 HA ASP 112 -10.610 -1.723 -12.931 908 HB2 ASP 112 2HB ASP 112 -11.042 0.937 -11.546 909 HB3 ASP 112 3HB ASP 112 -12.250 -0.048 -12.363 910 H LYS 113 H LYS 113 -10.242 -1.392 -15.059 911 HA LYS 113 HA LYS 113 -9.022 1.031 -16.053 912 HB2 LYS 113 2HB LYS 113 -10.153 -1.425 -17.383 913 HB3 LYS 113 3HB LYS 113 -9.662 -0.021 -18.322 914 HG2 LYS 113 2HG LYS 113 -7.858 -1.550 -16.451 915 HG3 LYS 113 3HG LYS 113 -7.929 -1.776 -18.198 916 HD2 LYS 113 2HD LYS 113 -7.284 0.875 -16.896 917 HD3 LYS 113 3HD LYS 113 -6.054 -0.303 -17.351 918 HE2 LYS 113 2HE LYS 113 -6.183 1.297 -19.113 919 HE3 LYS 113 3HE LYS 113 -6.928 -0.184 -19.700 920 HZ1 LYS 113 3HZ LYS 113 -8.182 1.806 -20.306 921 HZ2 LYS 113 1HZ LYS 113 -8.419 2.174 -18.673 922 HZ3 LYS 113 2HZ LYS 113 -9.097 0.772 -19.334 923 H LYS 114 H LYS 114 -12.044 0.426 -14.942 924 HA LYS 114 HA LYS 114 -13.703 1.617 -16.909 925 HB2 LYS 114 2HB LYS 114 -14.145 1.315 -13.928 926 HB3 LYS 114 3HB LYS 114 -15.377 1.806 -15.083 927 HG2 LYS 114 2HG LYS 114 -15.092 -0.367 -16.245 928 HG3 LYS 114 3HG LYS 114 -13.957 -0.854 -14.988 929 HD2 LYS 114 2HD LYS 114 -16.825 -0.050 -14.457 930 HD3 LYS 114 3HD LYS 114 -16.303 -1.716 -14.692 931 HE2 LYS 114 2HE LYS 114 -16.401 -1.430 -12.361 932 HE3 LYS 114 3HE LYS 114 -14.689 -1.319 -12.757 933 HZ1 LYS 114 3HZ LYS 114 -15.378 0.379 -11.177 934 HZ2 LYS 114 1HZ LYS 114 -16.499 0.990 -12.285 935 HZ3 LYS 114 2HZ LYS 114 -14.845 1.083 -12.614 936 H TRP 115 H TRP 115 -12.714 3.516 -17.574 937 HA TRP 115 HA TRP 115 -12.054 5.680 -15.844 938 HB2 TRP 115 2HB TRP 115 -11.990 6.997 -18.008 939 HB3 TRP 115 3HB TRP 115 -10.953 5.576 -17.954 940 HD1 TRP 115 HD1 TRP 115 -11.639 3.491 -19.512 941 HE1 TRP 115 HE1 TRP 115 -13.115 3.336 -21.614 942 HE3 TRP 115 HE3 TRP 115 -14.094 7.963 -19.115 943 HZ2 TRP 115 HZ2 TRP 115 -15.062 4.900 -22.930 944 HZ3 TRP 115 HZ3 TRP 115 -15.746 8.558 -20.839 945 HH2 TRP 115 HH2 TRP 115 -16.219 7.057 -22.707 946 H ILE 116 H ILE 116 -15.014 4.460 -16.607 947 HA ILE 116 HA ILE 116 -16.501 6.931 -16.820 948 HB ILE 116 HB ILE 116 -18.514 5.390 -16.689 949 HG12 ILE 116 2HG1 ILE 116 -16.346 3.268 -16.776 950 HG13 ILE 116 3HG1 ILE 116 -17.492 3.526 -15.468 951 HG21 ILE 116 1HG2 ILE 116 -17.617 6.185 -18.811 952 HG22 ILE 116 2HG2 ILE 116 -18.188 4.522 -18.964 953 HG23 ILE 116 3HG2 ILE 116 -16.460 4.853 -18.837 954 HD11 ILE 116 3HD1 ILE 116 -18.110 1.616 -16.805 955 HD12 ILE 116 1HD1 ILE 116 -18.152 2.611 -18.259 956 HD13 ILE 116 2HD1 ILE 116 -19.320 2.887 -16.964 Start of MODEL 8 1 H1 MET 1 1H MET 1 -5.898 -22.786 -31.398 2 H2 MET 1 2H MET 1 -7.361 -22.176 -31.974 3 H3 MET 1 3H MET 1 -7.180 -22.514 -30.329 4 HA MET 1 HA MET 1 -5.719 -20.436 -31.854 5 HB2 MET 1 2HB MET 1 -7.885 -20.197 -29.748 6 HB3 MET 1 3HB MET 1 -6.990 -18.846 -30.430 7 HG2 MET 1 2HG MET 1 -7.908 -19.354 -32.640 8 HG3 MET 1 3HG MET 1 -8.803 -20.712 -31.956 9 HE1 MET 1 3HE MET 1 -8.356 -16.801 -31.955 10 HE2 MET 1 1HE MET 1 -8.186 -17.215 -30.249 11 HE3 MET 1 2HE MET 1 -9.595 -16.308 -30.801 12 H GLY 2 H GLY 2 -4.282 -19.121 -30.588 13 HA2 GLY 2 2HA GLY 2 -3.632 -20.015 -27.884 14 HA3 GLY 2 3HA GLY 2 -2.396 -20.296 -29.100 15 H HIS 3 H HIS 3 -1.143 -18.594 -29.810 16 HA HIS 3 HA HIS 3 -0.048 -16.618 -29.731 17 HB2 HIS 3 2HB HIS 3 -2.846 -15.607 -29.222 18 HB3 HIS 3 3HB HIS 3 -1.466 -14.525 -29.367 19 HD1 HIS 3 HD1 HIS 3 -3.919 -16.362 -31.359 20 HD2 HIS 3 HD2 HIS 3 -0.187 -14.649 -31.980 21 HE1 HIS 3 HE1 HIS 3 -3.672 -16.173 -33.847 22 HE2 HIS 3 HE2 HIS 3 -1.509 -14.940 -34.179 23 H HIS 4 H HIS 4 1.318 -17.012 -28.042 24 HA HIS 4 HA HIS 4 0.585 -16.655 -25.303 25 HB2 HIS 4 2HB HIS 4 3.289 -16.843 -26.653 26 HB3 HIS 4 3HB HIS 4 3.083 -16.716 -24.909 27 HD1 HIS 4 HD1 HIS 4 3.044 -18.886 -23.742 28 HD2 HIS 4 HD2 HIS 4 1.787 -19.258 -27.685 29 HE1 HIS 4 HE1 HIS 4 2.633 -21.335 -24.088 30 HE2 HIS 4 HE2 HIS 4 2.075 -21.552 -26.524 31 H HIS 5 H HIS 5 -0.427 -14.591 -25.371 32 HA HIS 5 HA HIS 5 1.005 -12.221 -26.044 33 HB2 HIS 5 2HB HIS 5 -0.921 -11.090 -24.778 34 HB3 HIS 5 3HB HIS 5 -1.329 -12.029 -26.209 35 HD1 HIS 5 HD1 HIS 5 -2.493 -14.365 -25.793 36 HD2 HIS 5 HD2 HIS 5 -2.077 -11.966 -22.419 37 HE1 HIS 5 HE1 HIS 5 -4.024 -15.351 -24.067 38 HE2 HIS 5 HE2 HIS 5 -3.653 -13.967 -22.004 39 H HIS 6 H HIS 6 2.849 -11.938 -24.996 40 HA HIS 6 HA HIS 6 2.947 -12.128 -22.058 41 HB2 HIS 6 2HB HIS 6 5.452 -12.076 -22.445 42 HB3 HIS 6 3HB HIS 6 4.616 -13.486 -23.090 43 HD1 HIS 6 HD1 HIS 6 4.625 -13.814 -25.619 44 HD2 HIS 6 HD2 HIS 6 6.442 -10.271 -24.418 45 HE1 HIS 6 HE1 HIS 6 5.756 -12.911 -27.667 46 HE2 HIS 6 HE2 HIS 6 6.668 -10.679 -26.964 47 H HIS 7 H HIS 7 4.641 -10.511 -21.082 48 HA HIS 7 HA HIS 7 4.181 -7.846 -22.261 49 HB2 HIS 7 2HB HIS 7 4.003 -6.974 -19.890 50 HB3 HIS 7 3HB HIS 7 2.653 -7.951 -20.452 51 HD1 HIS 7 HD1 HIS 7 2.116 -10.057 -19.155 52 HD2 HIS 7 HD2 HIS 7 5.667 -8.276 -17.933 53 HE1 HIS 7 HE1 HIS 7 2.793 -11.268 -17.064 54 HE2 HIS 7 HE2 HIS 7 5.030 -10.291 -16.449 55 H HIS 8 H HIS 8 6.266 -7.741 -23.163 56 HA HIS 8 HA HIS 8 8.590 -7.947 -21.463 57 HB2 HIS 8 2HB HIS 8 9.780 -6.916 -23.488 58 HB3 HIS 8 3HB HIS 8 9.062 -8.505 -23.695 59 HD1 HIS 8 HD1 HIS 8 8.231 -8.633 -26.009 60 HD2 HIS 8 HD2 HIS 8 7.440 -4.917 -24.320 61 HE1 HIS 8 HE1 HIS 8 6.938 -7.362 -27.743 62 HE2 HIS 8 HE2 HIS 8 6.580 -5.084 -26.751 63 H SER 9 H SER 9 7.981 -6.496 -19.786 64 HA SER 9 HA SER 9 8.018 -3.628 -20.515 65 HB2 SER 9 2HB SER 9 5.803 -4.285 -19.759 66 HB3 SER 9 3HB SER 9 6.478 -5.000 -18.297 67 HG SER 9 HG SER 9 6.536 -3.095 -17.410 68 H HIS 10 H HIS 10 8.613 -2.173 -18.696 69 HA HIS 10 HA HIS 10 10.725 -3.318 -16.970 70 HB2 HIS 10 2HB HIS 10 11.924 -1.149 -17.212 71 HB3 HIS 10 3HB HIS 10 11.759 -2.002 -18.741 72 HD1 HIS 10 HD1 HIS 10 10.396 0.997 -16.892 73 HD2 HIS 10 HD2 HIS 10 10.348 -0.657 -20.704 74 HE1 HIS 10 HE1 HIS 10 9.369 2.744 -18.370 75 HE2 HIS 10 HE2 HIS 10 9.234 1.674 -20.643 76 H MET 11 H MET 11 11.273 -1.181 -15.368 77 HA MET 11 HA MET 11 9.164 -1.047 -13.532 78 HB2 MET 11 2HB MET 11 10.435 0.694 -12.400 79 HB3 MET 11 3HB MET 11 11.521 -0.572 -12.954 80 HG2 MET 11 2HG MET 11 11.116 2.144 -14.189 81 HG3 MET 11 3HG MET 11 12.544 1.555 -13.342 82 HE1 MET 11 3HE MET 11 12.675 2.956 -16.177 83 HE2 MET 11 1HE MET 11 13.779 1.901 -17.060 84 HE3 MET 11 2HE MET 11 14.115 2.320 -15.381 85 H LYS 12 H LYS 12 7.291 0.075 -13.542 86 HA LYS 12 HA LYS 12 6.942 2.115 -15.630 87 HB2 LYS 12 2HB LYS 12 4.955 0.375 -14.174 88 HB3 LYS 12 3HB LYS 12 4.471 1.712 -15.209 89 HG2 LYS 12 2HG LYS 12 5.828 0.573 -17.044 90 HG3 LYS 12 3HG LYS 12 5.859 -0.838 -15.981 91 HD2 LYS 12 2HD LYS 12 3.386 0.573 -16.998 92 HD3 LYS 12 3HD LYS 12 4.011 -0.971 -17.593 93 HE2 LYS 12 2HE LYS 12 2.875 -0.361 -14.864 94 HE3 LYS 12 3HE LYS 12 2.216 -1.447 -16.082 95 HZ1 LYS 12 3HZ LYS 12 3.309 -2.673 -14.324 96 HZ2 LYS 12 1HZ LYS 12 4.756 -1.846 -14.594 97 HZ3 LYS 12 2HZ LYS 12 4.146 -2.888 -15.777 98 HA PRO 13 HA PRO 13 5.997 5.524 -12.863 99 HB2 PRO 13 2HB PRO 13 3.814 6.603 -14.103 100 HB3 PRO 13 3HB PRO 13 5.456 6.774 -14.735 101 HG2 PRO 13 2HG PRO 13 3.363 4.741 -15.481 102 HG3 PRO 13 3HG PRO 13 4.315 5.773 -16.561 103 HD2 PRO 13 2HD PRO 13 5.044 3.269 -16.166 104 HD3 PRO 13 3HD PRO 13 6.280 4.549 -16.187 105 H LEU 14 H LEU 14 4.249 6.371 -11.439 106 HA LEU 14 HA LEU 14 3.114 4.312 -9.935 107 HB2 LEU 14 2HB LEU 14 3.675 6.518 -9.030 108 HB3 LEU 14 3HB LEU 14 2.367 7.235 -9.951 109 HG LEU 14 HG LEU 14 0.728 5.937 -8.636 110 HD11 LEU 14 1HD1 LEU 14 1.434 4.727 -6.635 111 HD12 LEU 14 2HD1 LEU 14 3.125 5.005 -7.056 112 HD13 LEU 14 3HD1 LEU 14 2.111 4.007 -8.097 113 HD21 LEU 14 3HD2 LEU 14 2.655 7.562 -6.972 114 HD22 LEU 14 1HD2 LEU 14 0.993 7.163 -6.530 115 HD23 LEU 14 2HD2 LEU 14 1.310 8.188 -7.928 116 H ALA 15 H ALA 15 1.505 6.478 -12.284 117 HA ALA 15 HA ALA 15 -1.126 5.568 -11.769 118 HB1 ALA 15 3HB ALA 15 -1.751 6.688 -13.833 119 HB2 ALA 15 1HB ALA 15 -0.054 6.810 -14.301 120 HB3 ALA 15 2HB ALA 15 -0.647 7.691 -12.892 121 H GLU 16 H GLU 16 1.432 4.183 -13.662 122 HA GLU 16 HA GLU 16 -0.394 2.419 -15.120 123 HB2 GLU 16 2HB GLU 16 2.611 2.741 -15.241 124 HB3 GLU 16 3HB GLU 16 1.704 1.587 -16.212 125 HG2 GLU 16 2HG GLU 16 1.344 4.580 -16.288 126 HG3 GLU 16 3HG GLU 16 2.293 3.640 -17.437 127 H GLN 17 H GLN 17 1.026 2.402 -12.124 128 HA GLN 17 HA GLN 17 1.946 -0.279 -11.931 129 HB2 GLN 17 2HB GLN 17 1.025 1.683 -9.829 130 HB3 GLN 17 3HB GLN 17 1.665 0.090 -9.444 131 HG2 GLN 17 2HG GLN 17 3.150 2.258 -10.933 132 HG3 GLN 17 3HG GLN 17 3.350 1.864 -9.225 133 HE21 GLN 17 1HE2 GLN 17 5.307 1.789 -11.392 134 HE22 GLN 17 2HE2 GLN 17 5.906 0.171 -11.425 135 H ASP 18 H ASP 18 0.853 -2.123 -11.803 136 HA ASP 18 HA ASP 18 -1.954 -2.141 -12.162 137 HB2 ASP 18 2HB ASP 18 -1.671 -4.660 -11.978 138 HB3 ASP 18 3HB ASP 18 -0.705 -3.860 -13.216 139 H TRP 19 H TRP 19 -0.026 -2.263 -9.293 140 HA TRP 19 HA TRP 19 -2.232 -3.220 -7.651 141 HB2 TRP 19 2HB TRP 19 -0.578 -2.688 -5.749 142 HB3 TRP 19 3HB TRP 19 -0.182 -4.009 -6.838 143 HD1 TRP 19 HD1 TRP 19 2.058 -3.852 -8.155 144 HE1 TRP 19 HE1 TRP 19 3.990 -2.158 -8.223 145 HE3 TRP 19 HE3 TRP 19 -0.122 -0.017 -5.565 146 HZ2 TRP 19 HZ2 TRP 19 4.523 0.447 -7.311 147 HZ3 TRP 19 HZ3 TRP 19 1.172 2.047 -5.213 148 HH2 TRP 19 HH2 TRP 19 3.447 2.275 -6.066 149 H TYR 20 H TYR 20 -1.594 -0.364 -9.092 150 HA TYR 20 HA TYR 20 -2.517 1.317 -6.864 151 HB2 TYR 20 2HB TYR 20 -0.519 2.127 -7.990 152 HB3 TYR 20 3HB TYR 20 -1.330 2.052 -9.551 153 HD1 TYR 20 HD2 TYR 20 -1.516 3.739 -6.223 154 HD2 TYR 20 HD1 TYR 20 -2.459 3.942 -10.375 155 HE1 TYR 20 HE2 TYR 20 -2.282 6.056 -5.934 156 HE2 TYR 20 HE1 TYR 20 -3.233 6.260 -10.089 157 HH TYR 20 HH TYR 20 -2.592 8.100 -7.344 158 H HIS 21 H HIS 21 -4.530 2.036 -6.765 159 HA HIS 21 HA HIS 21 -6.147 2.135 -9.237 160 HB2 HIS 21 2HB HIS 21 -7.054 1.328 -6.458 161 HB3 HIS 21 3HB HIS 21 -8.147 1.643 -7.802 162 HD1 HIS 21 HD1 HIS 21 -8.659 -0.299 -9.294 163 HD2 HIS 21 HD2 HIS 21 -5.272 -0.960 -6.971 164 HE1 HIS 21 HE1 HIS 21 -8.034 -2.694 -9.682 165 HE2 HIS 21 HE2 HIS 21 -5.875 -3.013 -8.430 166 H GLY 22 H GLY 22 -6.122 4.255 -9.692 167 HA2 GLY 22 2HA GLY 22 -5.619 6.283 -7.784 168 HA3 GLY 22 3HA GLY 22 -6.027 6.532 -9.467 169 H ALA 23 H ALA 23 -6.885 7.399 -6.505 170 HA ALA 23 HA ALA 23 -8.588 8.624 -5.669 171 HB1 ALA 23 3HB ALA 23 -9.819 9.997 -7.232 172 HB2 ALA 23 1HB ALA 23 -9.364 8.932 -8.564 173 HB3 ALA 23 2HB ALA 23 -8.129 9.873 -7.725 174 H ILE 24 H ILE 24 -9.183 5.680 -6.078 175 HA ILE 24 HA ILE 24 -12.053 5.631 -6.454 176 HB ILE 24 HB ILE 24 -11.963 3.277 -5.846 177 HG12 ILE 24 2HG1 ILE 24 -9.002 3.678 -5.291 178 HG13 ILE 24 3HG1 ILE 24 -10.233 3.517 -4.041 179 HG21 ILE 24 1HG2 ILE 24 -11.410 3.850 -8.132 180 HG22 ILE 24 2HG2 ILE 24 -10.440 2.472 -7.612 181 HG23 ILE 24 3HG2 ILE 24 -9.714 4.077 -7.699 182 HD11 ILE 24 3HD1 ILE 24 -9.048 1.427 -4.409 183 HD12 ILE 24 1HD1 ILE 24 -9.545 1.430 -6.100 184 HD13 ILE 24 2HD1 ILE 24 -10.754 1.275 -4.825 185 HA PRO 25 HA PRO 25 -13.355 6.731 -2.335 186 HB2 PRO 25 2HB PRO 25 -15.394 4.581 -2.656 187 HB3 PRO 25 3HB PRO 25 -15.611 6.290 -2.266 188 HG2 PRO 25 2HG PRO 25 -16.206 5.358 -4.692 189 HG3 PRO 25 3HG PRO 25 -15.451 6.953 -4.489 190 HD2 PRO 25 2HD PRO 25 -14.221 4.364 -5.363 191 HD3 PRO 25 3HD PRO 25 -13.912 6.015 -5.944 192 H ARG 26 H ARG 26 -13.239 5.996 -0.177 193 HA ARG 26 HA ARG 26 -11.456 3.900 0.371 194 HB2 ARG 26 2HB ARG 26 -12.009 5.855 1.891 195 HB3 ARG 26 3HB ARG 26 -13.475 4.994 2.341 196 HG2 ARG 26 2HG ARG 26 -11.988 3.069 3.045 197 HG3 ARG 26 3HG ARG 26 -10.622 4.165 2.834 198 HD2 ARG 26 2HD ARG 26 -11.156 4.253 5.132 199 HD3 ARG 26 3HD ARG 26 -11.819 5.734 4.440 200 HE ARG 26 HE ARG 26 -13.856 3.866 4.377 201 HH11 ARG 26 1HH1 ARG 26 -11.938 5.416 6.788 202 HH12 ARG 26 2HH1 ARG 26 -13.153 5.251 8.008 203 HH21 ARG 26 1HH2 ARG 26 -15.406 3.681 5.941 204 HH22 ARG 26 2HH2 ARG 26 -15.094 4.287 7.530 205 H ILE 27 H ILE 27 -15.003 3.977 0.477 206 HA ILE 27 HA ILE 27 -15.556 1.511 1.603 207 HB ILE 27 HB ILE 27 -17.028 2.858 -0.676 208 HG12 ILE 27 2HG1 ILE 27 -17.476 2.926 2.326 209 HG13 ILE 27 3HG1 ILE 27 -16.870 4.252 1.341 210 HG21 ILE 27 1HG2 ILE 27 -17.645 0.509 -0.571 211 HG22 ILE 27 2HG2 ILE 27 -18.971 1.506 0.025 212 HG23 ILE 27 3HG2 ILE 27 -17.941 0.638 1.162 213 HD11 ILE 27 3HD1 ILE 27 -19.194 4.596 1.882 214 HD12 ILE 27 1HD1 ILE 27 -19.618 3.027 1.193 215 HD13 ILE 27 2HD1 ILE 27 -19.019 4.316 0.151 216 H GLU 28 H GLU 28 -15.225 2.129 -1.919 217 HA GLU 28 HA GLU 28 -15.313 -0.514 -2.772 218 HB2 GLU 28 2HB GLU 28 -14.152 1.999 -3.882 219 HB3 GLU 28 3HB GLU 28 -13.690 0.483 -4.645 220 HG2 GLU 28 2HG GLU 28 -16.552 1.302 -4.201 221 HG3 GLU 28 3HG GLU 28 -15.652 1.672 -5.673 222 H ALA 29 H ALA 29 -12.555 1.329 -1.564 223 HA ALA 29 HA ALA 29 -10.543 -0.538 -2.247 224 HB1 ALA 29 3HB ALA 29 -10.533 1.529 -0.048 225 HB2 ALA 29 1HB ALA 29 -10.063 1.802 -1.725 226 HB3 ALA 29 2HB ALA 29 -9.118 0.712 -0.712 227 H GLN 30 H GLN 30 -12.601 -0.238 0.624 228 HA GLN 30 HA GLN 30 -11.124 -2.317 2.032 229 HB2 GLN 30 2HB GLN 30 -12.781 -1.946 3.851 230 HB3 GLN 30 3HB GLN 30 -11.920 -0.488 3.373 231 HG2 GLN 30 2HG GLN 30 -13.874 0.172 2.006 232 HG3 GLN 30 3HG GLN 30 -14.736 -1.243 2.605 233 HE21 GLN 30 1HE2 GLN 30 -15.424 -1.269 4.760 234 HE22 GLN 30 2HE2 GLN 30 -15.495 0.170 5.715 235 H GLU 31 H GLU 31 -14.217 -1.994 0.354 236 HA GLU 31 HA GLU 31 -15.333 -4.458 1.195 237 HB2 GLU 31 2HB GLU 31 -15.904 -2.898 -1.335 238 HB3 GLU 31 3HB GLU 31 -16.902 -4.190 -0.684 239 HG2 GLU 31 2HG GLU 31 -16.348 -1.545 0.650 240 HG3 GLU 31 3HG GLU 31 -17.826 -1.982 -0.201 241 H LEU 32 H LEU 32 -13.255 -3.636 -1.568 242 HA LEU 32 HA LEU 32 -13.553 -6.137 -2.896 243 HB2 LEU 32 2HB LEU 32 -11.766 -5.446 -4.335 244 HB3 LEU 32 3HB LEU 32 -12.797 -4.071 -4.019 245 HG LEU 32 HG LEU 32 -10.998 -3.489 -2.190 246 HD11 LEU 32 1HD1 LEU 32 -9.717 -5.574 -2.439 247 HD12 LEU 32 2HD1 LEU 32 -8.746 -4.150 -2.788 248 HD13 LEU 32 3HD1 LEU 32 -9.356 -5.144 -4.110 249 HD21 LEU 32 3HD2 LEU 32 -9.781 -2.155 -3.843 250 HD22 LEU 32 1HD2 LEU 32 -11.521 -2.095 -4.121 251 HD23 LEU 32 2HD2 LEU 32 -10.497 -3.103 -5.144 252 H LEU 33 H LEU 33 -11.603 -5.107 -0.246 253 HA LEU 33 HA LEU 33 -9.678 -7.221 -0.324 254 HB2 LEU 33 2HB LEU 33 -10.609 -5.498 1.985 255 HB3 LEU 33 3HB LEU 33 -9.191 -6.527 1.998 256 HG LEU 33 HG LEU 33 -9.594 -4.108 0.229 257 HD11 LEU 33 1HD1 LEU 33 -7.824 -3.098 1.580 258 HD12 LEU 33 2HD1 LEU 33 -7.807 -4.519 2.626 259 HD13 LEU 33 3HD1 LEU 33 -9.240 -3.492 2.552 260 HD21 LEU 33 3HD2 LEU 33 -7.197 -5.918 0.537 261 HD22 LEU 33 1HD2 LEU 33 -7.250 -4.427 -0.407 262 HD23 LEU 33 2HD2 LEU 33 -8.243 -5.807 -0.878 263 H LYS 34 H LYS 34 -10.308 -9.322 -0.170 264 HA LYS 34 HA LYS 34 -12.577 -9.948 1.629 265 HB2 LYS 34 2HB LYS 34 -13.234 -11.706 0.045 266 HB3 LYS 34 3HB LYS 34 -13.257 -10.109 -0.687 267 HG2 LYS 34 2HG LYS 34 -10.943 -10.661 -1.603 268 HG3 LYS 34 3HG LYS 34 -11.267 -12.326 -1.115 269 HD2 LYS 34 2HD LYS 34 -11.840 -12.064 -3.447 270 HD3 LYS 34 3HD LYS 34 -13.325 -12.285 -2.520 271 HE2 LYS 34 2HE LYS 34 -13.707 -9.860 -2.555 272 HE3 LYS 34 3HE LYS 34 -12.215 -9.638 -3.467 273 HZ1 LYS 34 3HZ LYS 34 -13.180 -10.965 -5.258 274 HZ2 LYS 34 1HZ LYS 34 -14.112 -9.593 -4.930 275 HZ3 LYS 34 2HZ LYS 34 -14.621 -11.108 -4.386 276 H LYS 35 H LYS 35 -9.440 -11.081 0.434 277 HA LYS 35 HA LYS 35 -9.459 -13.126 2.576 278 HB2 LYS 35 2HB LYS 35 -7.982 -14.515 1.134 279 HB3 LYS 35 3HB LYS 35 -9.591 -14.283 0.464 280 HG2 LYS 35 2HG LYS 35 -8.796 -12.708 -1.136 281 HG3 LYS 35 3HG LYS 35 -7.217 -12.618 -0.358 282 HD2 LYS 35 2HD LYS 35 -8.343 -15.104 -1.663 283 HD3 LYS 35 3HD LYS 35 -7.232 -13.974 -2.442 284 HE2 LYS 35 2HE LYS 35 -5.559 -14.418 -0.714 285 HE3 LYS 35 3HE LYS 35 -6.666 -15.540 0.079 286 HZ1 LYS 35 3HZ LYS 35 -6.634 -16.904 -1.921 287 HZ2 LYS 35 1HZ LYS 35 -5.079 -16.715 -1.281 288 HZ3 LYS 35 2HZ LYS 35 -5.543 -15.840 -2.651 289 H GLN 36 H GLN 36 -7.439 -13.599 3.583 290 HA GLN 36 HA GLN 36 -5.830 -11.413 4.212 291 HB2 GLN 36 2HB GLN 36 -5.982 -13.412 5.631 292 HB3 GLN 36 3HB GLN 36 -5.126 -14.353 4.414 293 HG2 GLN 36 2HG GLN 36 -3.152 -12.899 4.718 294 HG3 GLN 36 3HG GLN 36 -4.017 -12.019 5.977 295 HE21 GLN 36 1HE2 GLN 36 -4.409 -13.049 7.957 296 HE22 GLN 36 2HE2 GLN 36 -3.510 -14.437 8.443 297 H GLY 37 H GLY 37 -4.580 -10.303 2.855 298 HA2 GLY 37 2HA GLY 37 -2.264 -10.636 1.809 299 HA3 GLY 37 3HA GLY 37 -3.105 -11.750 0.745 300 H ASP 38 H ASP 38 -5.481 -10.255 0.385 301 HA ASP 38 HA ASP 38 -4.922 -8.801 -1.879 302 HB2 ASP 38 2HB ASP 38 -7.236 -8.359 0.031 303 HB3 ASP 38 3HB ASP 38 -7.176 -7.799 -1.634 304 H PHE 39 H PHE 39 -3.822 -6.940 -2.190 305 HA PHE 39 HA PHE 39 -4.342 -4.703 -0.372 306 HB2 PHE 39 2HB PHE 39 -2.053 -4.128 -0.060 307 HB3 PHE 39 3HB PHE 39 -2.202 -5.835 0.331 308 HD1 PHE 39 HD1 PHE 39 -1.288 -7.543 -1.217 309 HD2 PHE 39 HD2 PHE 39 -0.692 -3.375 -1.871 310 HE1 PHE 39 HE1 PHE 39 0.556 -8.048 -2.765 311 HE2 PHE 39 HE2 PHE 39 1.146 -3.878 -3.423 312 HZ PHE 39 HZ PHE 39 1.776 -6.218 -3.872 313 H LEU 40 H LEU 40 -4.169 -2.665 -1.259 314 HA LEU 40 HA LEU 40 -3.065 -2.287 -3.922 315 HB2 LEU 40 2HB LEU 40 -5.009 -1.314 -4.915 316 HB3 LEU 40 3HB LEU 40 -5.458 -2.900 -4.317 317 HG LEU 40 HG LEU 40 -6.025 -0.393 -2.727 318 HD11 LEU 40 1HD1 LEU 40 -7.073 -0.115 -4.914 319 HD12 LEU 40 2HD1 LEU 40 -8.277 -0.386 -3.656 320 HD13 LEU 40 3HD1 LEU 40 -7.842 -1.697 -4.755 321 HD21 LEU 40 3HD2 LEU 40 -7.192 -3.179 -2.701 322 HD22 LEU 40 1HD2 LEU 40 -7.804 -1.823 -1.751 323 HD23 LEU 40 2HD2 LEU 40 -6.179 -2.441 -1.461 324 H VAL 41 H VAL 41 -2.536 -0.106 -4.373 325 HA VAL 41 HA VAL 41 -2.767 1.733 -2.076 326 HB VAL 41 HB VAL 41 -0.923 1.908 -4.480 327 HG11 VAL 41 1HG1 VAL 41 -1.514 4.126 -3.660 328 HG12 VAL 41 2HG1 VAL 41 0.161 3.753 -3.257 329 HG13 VAL 41 3HG1 VAL 41 -1.087 3.654 -2.015 330 HG21 VAL 41 3HG2 VAL 41 0.875 1.417 -2.868 331 HG22 VAL 41 1HG2 VAL 41 -0.289 0.096 -2.972 332 HG23 VAL 41 2HG2 VAL 41 -0.330 1.201 -1.598 333 H ARG 42 H ARG 42 -4.167 3.367 -2.198 334 HA ARG 42 HA ARG 42 -5.119 4.227 -4.870 335 HB2 ARG 42 2HB ARG 42 -7.298 4.609 -3.978 336 HB3 ARG 42 3HB ARG 42 -6.820 3.004 -3.437 337 HG2 ARG 42 2HG ARG 42 -6.347 3.805 -1.230 338 HG3 ARG 42 3HG ARG 42 -6.535 5.483 -1.740 339 HD2 ARG 42 2HD ARG 42 -8.943 4.837 -2.346 340 HD3 ARG 42 3HD ARG 42 -8.656 3.378 -1.398 341 HE ARG 42 HE ARG 42 -8.245 4.823 0.520 342 HH11 ARG 42 1HH1 ARG 42 -9.875 6.205 -2.174 343 HH12 ARG 42 2HH1 ARG 42 -10.519 7.514 -1.250 344 HH21 ARG 42 1HH2 ARG 42 -9.093 6.538 1.693 345 HH22 ARG 42 2HH2 ARG 42 -10.083 7.701 0.892 346 H GLU 43 H GLU 43 -5.691 6.490 -5.066 347 HA GLU 43 HA GLU 43 -4.377 8.234 -3.108 348 HB2 GLU 43 2HB GLU 43 -4.017 8.513 -5.631 349 HB3 GLU 43 3HB GLU 43 -5.666 9.117 -5.695 350 HG2 GLU 43 2HG GLU 43 -5.065 10.892 -4.095 351 HG3 GLU 43 3HG GLU 43 -3.406 10.299 -4.083 352 H SER 44 H SER 44 -5.511 9.579 -1.776 353 HA SER 44 HA SER 44 -8.240 9.062 -1.265 354 HB2 SER 44 2HB SER 44 -6.466 11.336 -0.340 355 HB3 SER 44 3HB SER 44 -8.090 11.033 0.280 356 HG SER 44 HG SER 44 -6.260 10.108 1.499 357 H HIS 45 H HIS 45 -9.998 9.771 -2.286 358 HA HIS 45 HA HIS 45 -9.870 11.446 -4.540 359 HB2 HIS 45 2HB HIS 45 -11.589 9.716 -4.256 360 HB3 HIS 45 3HB HIS 45 -12.294 10.620 -2.920 361 HD1 HIS 45 HD1 HIS 45 -13.909 12.481 -3.503 362 HD2 HIS 45 HD2 HIS 45 -11.970 10.928 -6.834 363 HE1 HIS 45 HE1 HIS 45 -15.069 13.488 -5.488 364 HE2 HIS 45 HE2 HIS 45 -13.971 12.435 -7.486 365 H GLY 46 H GLY 46 -10.613 12.159 -1.179 366 HA2 GLY 46 2HA GLY 46 -11.364 14.918 -1.843 367 HA3 GLY 46 3HA GLY 46 -11.522 14.146 -0.274 368 H LYS 47 H LYS 47 -8.487 13.359 -1.316 369 HA LYS 47 HA LYS 47 -7.274 15.846 -0.299 370 HB2 LYS 47 2HB LYS 47 -7.411 13.913 1.410 371 HB3 LYS 47 3HB LYS 47 -6.155 13.152 0.446 372 HG2 LYS 47 2HG LYS 47 -5.103 14.287 2.252 373 HG3 LYS 47 3HG LYS 47 -4.753 15.192 0.780 374 HD2 LYS 47 2HD LYS 47 -5.283 16.788 2.469 375 HD3 LYS 47 3HD LYS 47 -6.663 16.724 1.375 376 HE2 LYS 47 2HE LYS 47 -6.494 15.231 3.999 377 HE3 LYS 47 3HE LYS 47 -7.265 16.801 3.802 378 HZ1 LYS 47 3HZ LYS 47 -8.802 15.774 2.211 379 HZ2 LYS 47 1HZ LYS 47 -8.897 15.060 3.742 380 HZ3 LYS 47 2HZ LYS 47 -8.087 14.264 2.493 381 HA PRO 48 HA PRO 48 -5.263 15.005 -4.318 382 HB2 PRO 48 2HB PRO 48 -4.160 17.524 -4.503 383 HB3 PRO 48 3HB PRO 48 -5.794 17.118 -5.037 384 HG2 PRO 48 2HG PRO 48 -4.897 18.374 -2.466 385 HG3 PRO 48 3HG PRO 48 -6.277 18.802 -3.498 386 HD2 PRO 48 2HD PRO 48 -6.596 17.366 -1.248 387 HD3 PRO 48 3HD PRO 48 -7.577 17.051 -2.694 388 H GLY 49 H GLY 49 -3.449 13.803 -4.223 389 HA2 GLY 49 2HA GLY 49 -1.115 13.537 -4.113 390 HA3 GLY 49 3HA GLY 49 -1.011 14.981 -3.125 391 H GLU 50 H GLU 50 -3.391 12.821 -1.993 392 HA GLU 50 HA GLU 50 -1.532 11.758 0.043 393 HB2 GLU 50 2HB GLU 50 -3.327 13.108 0.984 394 HB3 GLU 50 3HB GLU 50 -4.534 12.140 0.148 395 HG2 GLU 50 2HG GLU 50 -4.022 10.223 1.506 396 HG3 GLU 50 3HG GLU 50 -2.663 11.062 2.252 397 H TYR 51 H TYR 51 -1.137 9.616 0.112 398 HA TYR 51 HA TYR 51 -2.848 7.847 -1.525 399 HB2 TYR 51 2HB TYR 51 0.156 7.733 -1.150 400 HB3 TYR 51 3HB TYR 51 -0.795 6.506 -1.984 401 HD1 TYR 51 HD2 TYR 51 0.393 9.997 -2.129 402 HD2 TYR 51 HD1 TYR 51 -1.621 6.875 -4.214 403 HE1 TYR 51 HE2 TYR 51 0.549 11.294 -4.211 404 HE2 TYR 51 HE1 TYR 51 -1.474 8.170 -6.296 405 HH TYR 51 HH TYR 51 -1.269 10.651 -6.903 406 H VAL 52 H VAL 52 -3.610 6.051 -0.621 407 HA VAL 52 HA VAL 52 -2.634 5.292 2.063 408 HB VAL 52 HB VAL 52 -5.511 5.206 1.108 409 HG11 VAL 52 1HG1 VAL 52 -4.310 4.560 3.806 410 HG12 VAL 52 2HG1 VAL 52 -5.025 3.411 2.674 411 HG13 VAL 52 3HG1 VAL 52 -6.037 4.632 3.446 412 HG21 VAL 52 3HG2 VAL 52 -5.917 6.992 2.755 413 HG22 VAL 52 1HG2 VAL 52 -4.798 7.506 1.490 414 HG23 VAL 52 2HG2 VAL 52 -4.186 7.072 3.086 415 H LEU 53 H LEU 53 -1.918 3.271 2.185 416 HA LEU 53 HA LEU 53 -2.526 1.300 0.131 417 HB2 LEU 53 2HB LEU 53 -0.244 1.416 0.909 418 HB3 LEU 53 3HB LEU 53 -0.751 1.252 2.580 419 HG LEU 53 HG LEU 53 -1.525 -1.072 2.070 420 HD11 LEU 53 1HD1 LEU 53 -0.759 -2.156 0.018 421 HD12 LEU 53 2HD1 LEU 53 -0.157 -0.609 -0.580 422 HD13 LEU 53 3HD1 LEU 53 -1.887 -0.844 -0.329 423 HD21 LEU 53 3HD2 LEU 53 1.384 -0.524 1.475 424 HD22 LEU 53 1HD2 LEU 53 0.703 -2.059 2.017 425 HD23 LEU 53 2HD2 LEU 53 0.664 -0.654 3.081 426 H SER 54 H SER 54 -4.056 -0.221 0.311 427 HA SER 54 HA SER 54 -5.273 -0.712 2.964 428 HB2 SER 54 2HB SER 54 -6.634 -0.763 0.251 429 HB3 SER 54 3HB SER 54 -7.407 -1.144 1.791 430 HG SER 54 HG SER 54 -6.452 1.341 0.843 431 H VAL 55 H VAL 55 -4.620 -2.637 3.672 432 HA VAL 55 HA VAL 55 -4.582 -4.919 1.795 433 HB VAL 55 HB VAL 55 -2.286 -4.319 2.277 434 HG11 VAL 55 1HG1 VAL 55 -1.378 -4.337 4.561 435 HG12 VAL 55 2HG1 VAL 55 -3.001 -4.595 5.200 436 HG13 VAL 55 3HG1 VAL 55 -2.615 -3.095 4.356 437 HG21 VAL 55 3HG2 VAL 55 -1.466 -6.435 3.220 438 HG22 VAL 55 1HG2 VAL 55 -2.786 -6.705 2.079 439 HG23 VAL 55 2HG2 VAL 55 -3.085 -6.800 3.815 440 H TYR 56 H TYR 56 -5.457 -6.827 2.493 441 HA TYR 56 HA TYR 56 -7.048 -6.724 4.938 442 HB2 TYR 56 2HB TYR 56 -7.943 -7.505 2.694 443 HB3 TYR 56 3HB TYR 56 -6.954 -8.945 2.884 444 HD1 TYR 56 HD2 TYR 56 -7.532 -10.635 4.570 445 HD2 TYR 56 HD1 TYR 56 -9.941 -7.166 4.034 446 HE1 TYR 56 HE2 TYR 56 -9.342 -11.703 5.843 447 HE2 TYR 56 HE1 TYR 56 -11.756 -8.222 5.305 448 HH TYR 56 HH TYR 56 -11.313 -11.100 7.112 449 H SER 57 H SER 57 -6.165 -7.426 6.799 450 HA SER 57 HA SER 57 -4.681 -9.960 6.790 451 HB2 SER 57 2HB SER 57 -2.944 -8.221 6.690 452 HB3 SER 57 3HB SER 57 -3.627 -7.447 8.123 453 HG SER 57 HG SER 57 -1.782 -9.236 8.129 454 H ASP 58 H ASP 58 -5.430 -11.274 8.297 455 HA ASP 58 HA ASP 58 -6.347 -12.123 10.181 456 HB2 ASP 58 2HB ASP 58 -4.420 -10.730 11.131 457 HB3 ASP 58 3HB ASP 58 -5.637 -9.530 11.562 458 H GLY 59 H GLY 59 -8.097 -10.800 8.389 459 HA2 GLY 59 2HA GLY 59 -10.413 -10.546 8.411 460 HA3 GLY 59 3HA GLY 59 -10.368 -10.460 10.163 461 H GLN 60 H GLN 60 -8.158 -8.258 9.555 462 HA GLN 60 HA GLN 60 -10.132 -6.077 9.563 463 HB2 GLN 60 2HB GLN 60 -7.192 -6.010 10.300 464 HB3 GLN 60 3HB GLN 60 -8.346 -4.701 10.513 465 HG2 GLN 60 2HG GLN 60 -9.597 -6.091 12.113 466 HG3 GLN 60 3HG GLN 60 -8.392 -7.365 11.923 467 HE21 GLN 60 1HE2 GLN 60 -9.156 -5.867 14.312 468 HE22 GLN 60 2HE2 GLN 60 -7.703 -5.135 14.893 469 H ARG 61 H ARG 61 -10.156 -4.458 8.035 470 HA ARG 61 HA ARG 61 -8.310 -4.567 5.796 471 HB2 ARG 61 2HB ARG 61 -10.665 -2.829 6.505 472 HB3 ARG 61 3HB ARG 61 -9.537 -2.297 5.270 473 HG2 ARG 61 2HG ARG 61 -11.296 -3.334 4.119 474 HG3 ARG 61 3HG ARG 61 -9.971 -4.492 4.092 475 HD2 ARG 61 2HD ARG 61 -11.020 -5.755 5.898 476 HD3 ARG 61 3HD ARG 61 -12.327 -4.568 5.986 477 HE ARG 61 HE ARG 61 -11.973 -5.773 3.386 478 HH11 ARG 61 1HH1 ARG 61 -13.564 -6.034 6.428 479 HH12 ARG 61 2HH1 ARG 61 -14.846 -7.001 5.789 480 HH21 ARG 61 1HH2 ARG 61 -13.600 -7.016 2.587 481 HH22 ARG 61 2HH2 ARG 61 -14.875 -7.541 3.628 482 H ARG 62 H ARG 62 -6.264 -3.983 6.328 483 HA ARG 62 HA ARG 62 -5.757 -1.870 8.260 484 HB2 ARG 62 2HB ARG 62 -3.790 -3.509 6.643 485 HB3 ARG 62 3HB ARG 62 -3.409 -2.499 8.032 486 HG2 ARG 62 2HG ARG 62 -5.121 -4.988 8.068 487 HG3 ARG 62 3HG ARG 62 -3.449 -4.871 8.614 488 HD2 ARG 62 2HD ARG 62 -5.805 -3.391 9.796 489 HD3 ARG 62 3HD ARG 62 -5.020 -4.809 10.491 490 HE ARG 62 HE ARG 62 -3.497 -2.335 10.060 491 HH11 ARG 62 1HH1 ARG 62 -4.777 -4.710 12.190 492 HH12 ARG 62 2HH1 ARG 62 -3.850 -4.167 13.543 493 HH21 ARG 62 1HH2 ARG 62 -2.324 -1.623 11.800 494 HH22 ARG 62 2HH2 ARG 62 -2.459 -2.430 13.321 495 H HIS 63 H HIS 63 -5.491 0.210 7.719 496 HA HIS 63 HA HIS 63 -4.771 0.863 4.925 497 HB2 HIS 63 2HB HIS 63 -6.405 2.544 6.844 498 HB3 HIS 63 3HB HIS 63 -6.061 2.923 5.158 499 HD1 HIS 63 HD1 HIS 63 -7.196 1.221 3.362 500 HD2 HIS 63 HD2 HIS 63 -8.654 1.073 7.255 501 HE1 HIS 63 HE1 HIS 63 -9.427 0.075 3.204 502 HE2 HIS 63 HE2 HIS 63 -10.315 0.053 5.562 503 H PHE 64 H PHE 64 -2.779 1.668 4.729 504 HA PHE 64 HA PHE 64 -1.621 3.237 6.957 505 HB2 PHE 64 2HB PHE 64 -0.129 1.681 4.824 506 HB3 PHE 64 3HB PHE 64 0.576 2.500 6.211 507 HD1 PHE 64 HD2 PHE 64 -0.062 1.646 8.549 508 HD2 PHE 64 HD1 PHE 64 -0.787 -0.562 4.973 509 HE1 PHE 64 HE2 PHE 64 -0.261 -0.427 9.866 510 HE2 PHE 64 HE1 PHE 64 -0.986 -2.630 6.291 511 HZ PHE 64 HZ PHE 64 -0.720 -2.565 8.735 512 H ILE 65 H ILE 65 -1.161 5.336 6.552 513 HA ILE 65 HA ILE 65 -1.504 6.370 3.848 514 HB ILE 65 HB ILE 65 -0.990 7.861 6.437 515 HG12 ILE 65 2HG1 ILE 65 -3.576 7.404 4.915 516 HG13 ILE 65 3HG1 ILE 65 -3.142 6.650 6.444 517 HG21 ILE 65 1HG2 ILE 65 -0.280 9.154 4.491 518 HG22 ILE 65 2HG2 ILE 65 -1.732 9.855 5.205 519 HG23 ILE 65 3HG2 ILE 65 -1.851 8.896 3.730 520 HD11 ILE 65 3HD1 ILE 65 -4.697 8.468 6.796 521 HD12 ILE 65 1HD1 ILE 65 -3.610 9.591 5.979 522 HD13 ILE 65 2HD1 ILE 65 -3.135 8.859 7.513 523 H ILE 66 H ILE 66 0.076 7.403 2.635 524 HA ILE 66 HA ILE 66 2.849 6.819 3.366 525 HB ILE 66 HB ILE 66 1.726 7.906 0.769 526 HG12 ILE 66 2HG1 ILE 66 2.554 5.089 1.533 527 HG13 ILE 66 3HG1 ILE 66 0.910 5.641 1.230 528 HG21 ILE 66 1HG2 ILE 66 4.471 6.820 1.417 529 HG22 ILE 66 2HG2 ILE 66 4.068 8.506 1.090 530 HG23 ILE 66 3HG2 ILE 66 3.905 7.299 -0.184 531 HD11 ILE 66 3HD1 ILE 66 1.786 4.405 -0.660 532 HD12 ILE 66 1HD1 ILE 66 3.139 5.529 -0.792 533 HD13 ILE 66 2HD1 ILE 66 1.494 6.086 -1.100 534 H GLN 67 H GLN 67 4.010 8.345 4.420 535 HA GLN 67 HA GLN 67 3.384 11.187 4.054 536 HB2 GLN 67 2HB GLN 67 5.438 9.947 5.911 537 HB3 GLN 67 3HB GLN 67 4.885 11.614 5.920 538 HG2 GLN 67 2HG GLN 67 3.731 10.690 7.692 539 HG3 GLN 67 3HG GLN 67 2.550 10.599 6.386 540 HE21 GLN 67 1HE2 GLN 67 1.439 8.896 7.281 541 HE22 GLN 67 2HE2 GLN 67 2.080 7.297 7.354 542 H TYR 68 H TYR 68 4.730 12.642 3.077 543 HA TYR 68 HA TYR 68 7.082 11.600 1.656 544 HB2 TYR 68 2HB TYR 68 5.375 12.801 0.333 545 HB3 TYR 68 3HB TYR 68 5.600 14.228 1.333 546 HD1 TYR 68 HD1 TYR 68 7.595 11.904 -0.822 547 HD2 TYR 68 HD2 TYR 68 7.020 15.903 0.531 548 HE1 TYR 68 HE1 TYR 68 9.328 12.679 -2.384 549 HE2 TYR 68 HE2 TYR 68 8.760 16.683 -1.024 550 HH TYR 68 HH TYR 68 10.689 15.813 -2.228 551 H VAL 69 H VAL 69 8.760 11.618 3.094 552 HA VAL 69 HA VAL 69 9.406 14.183 4.429 553 HB VAL 69 HB VAL 69 9.884 11.404 5.541 554 HG11 VAL 69 1HG1 VAL 69 10.561 12.563 7.601 555 HG12 VAL 69 2HG1 VAL 69 10.376 14.116 6.785 556 HG13 VAL 69 3HG1 VAL 69 11.610 12.977 6.245 557 HG21 VAL 69 3HG2 VAL 69 7.508 12.006 5.574 558 HG22 VAL 69 1HG2 VAL 69 7.897 13.507 6.419 559 HG23 VAL 69 2HG2 VAL 69 8.179 11.952 7.204 560 H ASP 70 H ASP 70 11.396 14.975 4.029 561 HA ASP 70 HA ASP 70 13.427 15.239 3.031 562 HB2 ASP 70 2HB ASP 70 13.748 12.558 4.379 563 HB3 ASP 70 3HB ASP 70 15.091 13.386 3.595 564 H ASN 71 H ASN 71 11.565 14.474 1.177 565 HA ASN 71 HA ASN 71 11.339 13.792 -0.968 566 HB2 ASN 71 2HB ASN 71 14.338 13.427 -0.817 567 HB3 ASN 71 3HB ASN 71 13.392 13.379 -2.302 568 HD21 ASN 71 1HD2 ASN 71 15.517 15.186 -1.615 569 HD22 ASN 71 2HD2 ASN 71 14.850 16.777 -1.649 570 H MET 72 H MET 72 11.371 11.795 1.323 571 HA MET 72 HA MET 72 11.425 9.400 -0.400 572 HB2 MET 72 2HB MET 72 12.201 9.528 2.525 573 HB3 MET 72 3HB MET 72 12.105 8.063 1.559 574 HG2 MET 72 2HG MET 72 13.887 8.919 0.103 575 HG3 MET 72 3HG MET 72 14.004 10.362 1.109 576 HE1 MET 72 3HE MET 72 15.221 8.831 4.520 577 HE2 MET 72 1HE MET 72 13.567 9.164 4.008 578 HE3 MET 72 2HE MET 72 14.851 10.324 3.657 579 H TYR 73 H TYR 73 9.588 8.280 -0.481 580 HA TYR 73 HA TYR 73 7.314 9.016 1.155 581 HB2 TYR 73 2HB TYR 73 7.593 6.892 -0.993 582 HB3 TYR 73 3HB TYR 73 6.083 7.405 -0.253 583 HD1 TYR 73 HD2 TYR 73 5.082 9.564 -0.813 584 HD2 TYR 73 HD1 TYR 73 8.732 8.309 -2.615 585 HE1 TYR 73 HE2 TYR 73 4.840 11.319 -2.518 586 HE2 TYR 73 HE1 TYR 73 8.497 10.058 -4.323 587 HH TYR 73 HH TYR 73 6.159 12.573 -4.076 588 H ARG 74 H ARG 74 6.580 7.944 2.911 589 HA ARG 74 HA ARG 74 7.636 5.274 3.541 590 HB2 ARG 74 2HB ARG 74 8.079 6.171 5.918 591 HB3 ARG 74 3HB ARG 74 9.238 6.578 4.656 592 HG2 ARG 74 2HG ARG 74 8.117 8.777 4.390 593 HG3 ARG 74 3HG ARG 74 7.058 8.368 5.739 594 HD2 ARG 74 2HD ARG 74 10.048 8.315 6.036 595 HD3 ARG 74 3HD ARG 74 9.146 9.822 6.184 596 HE ARG 74 HE ARG 74 8.017 7.837 7.854 597 HH11 ARG 74 1HH1 ARG 74 10.809 9.824 7.585 598 HH12 ARG 74 2HH1 ARG 74 10.986 10.016 9.294 599 HH21 ARG 74 1HH2 ARG 74 8.240 8.067 10.055 600 HH22 ARG 74 2HH2 ARG 74 9.539 9.021 10.685 601 H PHE 75 H PHE 75 6.439 4.106 5.112 602 HA PHE 75 HA PHE 75 3.707 5.084 5.591 603 HB2 PHE 75 2HB PHE 75 4.938 2.331 5.825 604 HB3 PHE 75 3HB PHE 75 3.296 2.697 6.334 605 HD1 PHE 75 HD1 PHE 75 1.688 3.605 4.575 606 HD2 PHE 75 HD2 PHE 75 5.395 1.739 3.603 607 HE1 PHE 75 HE1 PHE 75 0.860 3.146 2.309 608 HE2 PHE 75 HE2 PHE 75 4.566 1.279 1.331 609 HZ PHE 75 HZ PHE 75 2.298 1.982 0.684 610 H GLU 76 H GLU 76 6.613 4.095 7.271 611 HA GLU 76 HA GLU 76 5.413 4.911 9.838 612 HB2 GLU 76 2HB GLU 76 5.529 2.453 9.709 613 HB3 GLU 76 3HB GLU 76 7.248 2.543 9.359 614 HG2 GLU 76 2HG GLU 76 7.605 3.567 11.586 615 HG3 GLU 76 3HG GLU 76 5.889 3.337 11.932 616 H GLY 77 H GLY 77 8.687 3.684 9.404 617 HA2 GLY 77 2HA GLY 77 9.727 6.414 9.884 618 HA3 GLY 77 3HA GLY 77 10.491 4.946 10.473 619 H THR 78 H THR 78 10.829 3.318 8.465 620 HA THR 78 HA THR 78 12.677 4.665 6.706 621 HB THR 78 HB THR 78 13.234 2.435 7.551 622 HG1 THR 78 HG1 THR 78 14.245 2.792 5.650 623 HG21 THR 78 3HG2 THR 78 10.974 1.469 7.645 624 HG22 THR 78 1HG2 THR 78 12.071 0.434 6.729 625 HG23 THR 78 2HG2 THR 78 10.907 1.452 5.882 626 H GLY 79 H GLY 79 12.602 4.710 4.396 627 HA2 GLY 79 2HA GLY 79 10.190 3.926 3.003 628 HA3 GLY 79 3HA GLY 79 10.343 5.662 3.209 629 H PHE 80 H PHE 80 10.194 5.218 0.740 630 HA PHE 80 HA PHE 80 12.941 5.167 -0.347 631 HB2 PHE 80 2HB PHE 80 10.511 3.735 -1.451 632 HB3 PHE 80 3HB PHE 80 11.955 4.041 -2.410 633 HD1 PHE 80 HD1 PHE 80 10.726 2.323 0.642 634 HD2 PHE 80 HD2 PHE 80 13.815 2.622 -2.271 635 HE1 PHE 80 HE1 PHE 80 11.736 0.263 1.518 636 HE2 PHE 80 HE2 PHE 80 14.835 0.557 -1.396 637 HZ PHE 80 HZ PHE 80 13.797 -0.622 0.497 638 H SER 81 H SER 81 13.329 6.552 -2.113 639 HA SER 81 HA SER 81 11.878 8.959 -2.131 640 HB2 SER 81 2HB SER 81 13.910 7.908 -4.114 641 HB3 SER 81 3HB SER 81 13.283 9.558 -4.124 642 HG SER 81 HG SER 81 14.163 9.873 -2.077 643 H ASN 82 H ASN 82 11.166 6.072 -3.806 644 HA ASN 82 HA ASN 82 9.160 7.507 -5.431 645 HB2 ASN 82 2HB ASN 82 10.757 5.069 -6.268 646 HB3 ASN 82 3HB ASN 82 9.418 5.758 -7.183 647 HD21 ASN 82 1HD2 ASN 82 12.219 5.395 -7.920 648 HD22 ASN 82 2HD2 ASN 82 12.798 6.964 -8.349 649 H ILE 83 H ILE 83 7.101 6.805 -5.164 650 HA ILE 83 HA ILE 83 6.350 4.931 -3.230 651 HB ILE 83 HB ILE 83 4.741 5.906 -5.605 652 HG12 ILE 83 2HG1 ILE 83 4.845 6.841 -2.720 653 HG13 ILE 83 3HG1 ILE 83 5.485 7.709 -4.112 654 HG21 ILE 83 1HG2 ILE 83 3.757 4.550 -3.084 655 HG22 ILE 83 2HG2 ILE 83 3.824 3.814 -4.684 656 HG23 ILE 83 3HG2 ILE 83 2.754 5.183 -4.393 657 HD11 ILE 83 3HD1 ILE 83 3.221 7.957 -4.993 658 HD12 ILE 83 1HD1 ILE 83 3.376 8.647 -3.377 659 HD13 ILE 83 2HD1 ILE 83 2.585 7.087 -3.597 660 HA PRO 84 HA PRO 84 5.737 1.729 -7.011 661 HB2 PRO 84 2HB PRO 84 7.887 2.136 -8.784 662 HB3 PRO 84 3HB PRO 84 6.185 2.477 -9.110 663 HG2 PRO 84 2HG PRO 84 8.358 4.328 -8.229 664 HG3 PRO 84 3HG PRO 84 7.010 4.625 -9.345 665 HD2 PRO 84 2HD PRO 84 6.963 5.584 -6.850 666 HD3 PRO 84 3HD PRO 84 5.484 4.949 -7.604 667 H GLN 85 H GLN 85 8.957 3.043 -6.158 668 HA GLN 85 HA GLN 85 10.189 0.463 -5.956 669 HB2 GLN 85 2HB GLN 85 11.071 3.202 -5.032 670 HB3 GLN 85 3HB GLN 85 12.051 1.756 -4.827 671 HG2 GLN 85 2HG GLN 85 11.133 2.945 -7.443 672 HG3 GLN 85 3HG GLN 85 12.768 2.981 -6.781 673 HE21 GLN 85 1HE2 GLN 85 10.361 1.040 -8.345 674 HE22 GLN 85 2HE2 GLN 85 11.386 -0.297 -8.715 675 H LEU 86 H LEU 86 8.711 2.678 -3.638 676 HA LEU 86 HA LEU 86 9.406 1.446 -1.241 677 HB2 LEU 86 2HB LEU 86 8.239 3.595 -1.414 678 HB3 LEU 86 3HB LEU 86 6.808 2.788 -2.019 679 HG LEU 86 HG LEU 86 6.522 1.664 0.158 680 HD11 LEU 86 1HD1 LEU 86 8.824 1.547 0.892 681 HD12 LEU 86 2HD1 LEU 86 7.862 2.415 2.089 682 HD13 LEU 86 3HD1 LEU 86 8.914 3.306 0.989 683 HD21 LEU 86 3HD2 LEU 86 6.785 4.670 0.344 684 HD22 LEU 86 1HD2 LEU 86 5.842 3.646 1.427 685 HD23 LEU 86 2HD2 LEU 86 5.387 3.786 -0.270 686 H ILE 87 H ILE 87 6.505 0.837 -3.231 687 HA ILE 87 HA ILE 87 5.641 -1.411 -1.699 688 HB ILE 87 HB ILE 87 4.851 -0.549 -4.492 689 HG12 ILE 87 2HG1 ILE 87 4.358 1.142 -2.786 690 HG13 ILE 87 3HG1 ILE 87 2.867 0.414 -3.375 691 HG21 ILE 87 1HG2 ILE 87 2.859 -1.951 -4.185 692 HG22 ILE 87 2HG2 ILE 87 3.495 -2.518 -2.641 693 HG23 ILE 87 3HG2 ILE 87 4.337 -2.912 -4.141 694 HD11 ILE 87 3HD1 ILE 87 2.747 -0.968 -1.370 695 HD12 ILE 87 1HD1 ILE 87 2.821 0.748 -0.966 696 HD13 ILE 87 2HD1 ILE 87 4.254 -0.263 -0.787 697 H ASP 88 H ASP 88 7.274 -1.149 -4.877 698 HA ASP 88 HA ASP 88 7.405 -3.854 -5.514 699 HB2 ASP 88 2HB ASP 88 7.986 -2.142 -7.131 700 HB3 ASP 88 3HB ASP 88 9.358 -1.627 -6.158 701 H HIS 89 H HIS 89 9.836 -1.920 -3.738 702 HA HIS 89 HA HIS 89 11.652 -4.037 -3.344 703 HB2 HIS 89 2HB HIS 89 12.102 -1.550 -3.052 704 HB3 HIS 89 3HB HIS 89 11.335 -1.681 -1.472 705 HD1 HIS 89 HD1 HIS 89 12.667 -2.917 0.389 706 HD2 HIS 89 HD2 HIS 89 14.653 -2.692 -3.255 707 HE1 HIS 89 HE1 HIS 89 15.025 -3.627 0.863 708 HE2 HIS 89 HE2 HIS 89 16.246 -3.288 -1.308 709 H HIS 90 H HIS 90 8.922 -2.904 -1.338 710 HA HIS 90 HA HIS 90 9.416 -4.720 0.809 711 HB2 HIS 90 2HB HIS 90 7.099 -3.019 -0.007 712 HB3 HIS 90 3HB HIS 90 6.817 -4.300 1.166 713 HD1 HIS 90 HD1 HIS 90 8.400 -0.953 0.788 714 HD2 HIS 90 HD2 HIS 90 8.112 -3.945 3.658 715 HE1 HIS 90 HE1 HIS 90 9.178 0.095 2.933 716 HE2 HIS 90 HE2 HIS 90 8.840 -1.686 4.682 717 H TYR 91 H TYR 91 7.370 -4.974 -2.090 718 HA TYR 91 HA TYR 91 6.127 -7.418 -1.398 719 HB2 TYR 91 2HB TYR 91 5.248 -5.882 -3.129 720 HB3 TYR 91 3HB TYR 91 6.625 -6.266 -4.158 721 HD1 TYR 91 HD1 TYR 91 3.583 -7.689 -2.577 722 HD2 TYR 91 HD2 TYR 91 6.614 -8.219 -5.526 723 HE1 TYR 91 HE1 TYR 91 2.324 -9.577 -3.527 724 HE2 TYR 91 HE2 TYR 91 5.360 -10.105 -6.484 725 HH TYR 91 HH TYR 91 3.665 -11.757 -5.740 726 H THR 92 H THR 92 8.938 -6.727 -3.480 727 HA THR 92 HA THR 92 9.510 -9.394 -4.202 728 HB THR 92 HB THR 92 11.806 -8.579 -4.735 729 HG1 THR 92 HG1 THR 92 11.386 -5.952 -4.378 730 HG21 THR 92 3HG2 THR 92 11.136 -6.956 -6.455 731 HG22 THR 92 1HG2 THR 92 9.573 -6.755 -5.661 732 HG23 THR 92 2HG2 THR 92 10.005 -8.306 -6.378 733 H THR 93 H THR 93 10.805 -7.402 -1.537 734 HA THR 93 HA THR 93 12.454 -9.495 -0.468 735 HB THR 93 HB THR 93 12.736 -8.053 1.503 736 HG1 THR 93 HG1 THR 93 11.323 -5.911 0.545 737 HG21 THR 93 3HG2 THR 93 13.710 -6.088 0.388 738 HG22 THR 93 1HG2 THR 93 12.858 -6.511 -1.096 739 HG23 THR 93 2HG2 THR 93 14.110 -7.579 -0.462 740 H LYS 94 H LYS 94 9.123 -8.698 -0.209 741 HA LYS 94 HA LYS 94 7.362 -9.572 0.929 742 HB2 LYS 94 2HB LYS 94 8.716 -11.711 0.207 743 HB3 LYS 94 3HB LYS 94 9.093 -11.829 1.918 744 HG2 LYS 94 2HG LYS 94 7.210 -13.241 1.364 745 HG3 LYS 94 3HG LYS 94 6.693 -11.936 2.436 746 HD2 LYS 94 2HD LYS 94 5.716 -10.731 0.596 747 HD3 LYS 94 3HD LYS 94 6.393 -11.868 -0.573 748 HE2 LYS 94 2HE LYS 94 4.348 -12.561 1.544 749 HE3 LYS 94 3HE LYS 94 3.983 -12.233 -0.150 750 HZ1 LYS 94 3HZ LYS 94 4.108 -14.597 0.244 751 HZ2 LYS 94 1HZ LYS 94 5.672 -14.452 0.874 752 HZ3 LYS 94 2HZ LYS 94 5.384 -14.127 -0.761 753 H GLN 95 H GLN 95 9.145 -7.697 2.184 754 HA GLN 95 HA GLN 95 9.247 -8.493 5.014 755 HB2 GLN 95 2HB GLN 95 11.200 -7.413 3.632 756 HB3 GLN 95 3HB GLN 95 10.341 -5.906 3.912 757 HG2 GLN 95 2HG GLN 95 11.127 -7.718 6.179 758 HG3 GLN 95 3HG GLN 95 12.249 -6.544 5.503 759 HE21 GLN 95 1HE2 GLN 95 10.198 -4.562 4.992 760 HE22 GLN 95 2HE2 GLN 95 9.762 -3.914 6.525 761 H VAL 96 H VAL 96 8.358 -7.121 6.667 762 HA VAL 96 HA VAL 96 5.692 -6.448 6.162 763 HB VAL 96 HB VAL 96 5.531 -5.709 8.434 764 HG11 VAL 96 1HG1 VAL 96 7.543 -7.951 8.248 765 HG12 VAL 96 2HG1 VAL 96 5.794 -8.115 8.100 766 HG13 VAL 96 3HG1 VAL 96 6.506 -7.606 9.631 767 HG21 VAL 96 3HG2 VAL 96 7.457 -4.210 8.512 768 HG22 VAL 96 1HG2 VAL 96 8.550 -5.594 8.482 769 HG23 VAL 96 2HG2 VAL 96 7.489 -5.338 9.867 770 H ILE 97 H ILE 97 4.536 -4.496 6.290 771 HA ILE 97 HA ILE 97 5.757 -2.240 5.012 772 HB ILE 97 HB ILE 97 3.003 -2.593 6.217 773 HG12 ILE 97 2HG1 ILE 97 3.467 -4.033 4.279 774 HG13 ILE 97 3HG1 ILE 97 2.282 -2.796 3.870 775 HG21 ILE 97 1HG2 ILE 97 4.013 -0.335 4.481 776 HG22 ILE 97 2HG2 ILE 97 3.614 -0.221 6.194 777 HG23 ILE 97 3HG2 ILE 97 2.349 -0.567 5.015 778 HD11 ILE 97 3HD1 ILE 97 3.876 -3.104 2.075 779 HD12 ILE 97 1HD1 ILE 97 5.211 -2.743 3.168 780 HD13 ILE 97 2HD1 ILE 97 4.033 -1.492 2.769 781 H THR 98 H THR 98 3.891 -2.224 8.073 782 HA THR 98 HA THR 98 5.933 -0.412 9.219 783 HB THR 98 HB THR 98 4.230 0.584 10.641 784 HG1 THR 98 HG1 THR 98 2.028 -0.020 10.401 785 HG21 THR 98 3HG2 THR 98 4.541 1.546 8.387 786 HG22 THR 98 1HG2 THR 98 2.893 1.761 8.984 787 HG23 THR 98 2HG2 THR 98 3.242 0.516 7.788 788 H LYS 99 H LYS 99 6.768 -0.907 11.215 789 HA LYS 99 HA LYS 99 6.507 -3.617 12.102 790 HB2 LYS 99 2HB LYS 99 8.033 -1.241 13.168 791 HB3 LYS 99 3HB LYS 99 8.017 -2.785 14.008 792 HG2 LYS 99 2HG LYS 99 10.003 -2.631 12.667 793 HG3 LYS 99 3HG LYS 99 8.944 -3.867 11.990 794 HD2 LYS 99 2HD LYS 99 8.137 -2.160 10.338 795 HD3 LYS 99 3HD LYS 99 9.362 -1.055 10.963 796 HE2 LYS 99 2HE LYS 99 9.899 -3.755 9.718 797 HE3 LYS 99 3HE LYS 99 10.108 -2.196 8.918 798 HZ1 LYS 99 3HZ LYS 99 11.578 -3.084 11.344 799 HZ2 LYS 99 1HZ LYS 99 11.801 -1.624 10.526 800 HZ3 LYS 99 2HZ LYS 99 12.200 -3.079 9.773 801 H LYS 100 H LYS 100 4.900 -0.691 12.908 802 HA LYS 100 HA LYS 100 3.875 -1.424 15.451 803 HB2 LYS 100 2HB LYS 100 2.714 0.386 13.319 804 HB3 LYS 100 3HB LYS 100 2.104 0.261 14.964 805 HG2 LYS 100 2HG LYS 100 4.210 1.097 15.844 806 HG3 LYS 100 3HG LYS 100 4.887 1.153 14.217 807 HD2 LYS 100 2HD LYS 100 4.198 3.377 14.922 808 HD3 LYS 100 3HD LYS 100 3.191 2.826 13.582 809 HE2 LYS 100 2HE LYS 100 1.849 3.922 15.307 810 HE3 LYS 100 3HE LYS 100 1.417 2.221 15.150 811 HZ1 LYS 100 3HZ LYS 100 3.226 3.326 17.232 812 HZ2 LYS 100 1HZ LYS 100 2.698 1.722 17.110 813 HZ3 LYS 100 2HZ LYS 100 1.593 2.953 17.465 814 H SER 101 H SER 101 3.241 -2.673 12.341 815 HA SER 101 HA SER 101 0.768 -3.982 13.312 816 HB2 SER 101 2HB SER 101 -0.051 -4.056 11.016 817 HB3 SER 101 3HB SER 101 0.336 -2.392 11.447 818 HG SER 101 HG SER 101 2.062 -2.421 10.135 819 H GLY 102 H GLY 102 3.325 -4.410 10.854 820 HA2 GLY 102 2HA GLY 102 4.734 -6.288 10.621 821 HA3 GLY 102 3HA GLY 102 3.688 -7.190 11.707 822 H VAL 103 H VAL 103 2.292 -5.390 9.070 823 HA VAL 103 HA VAL 103 1.248 -7.844 7.927 824 HB VAL 103 HB VAL 103 0.780 -4.984 7.046 825 HG11 VAL 103 1HG1 VAL 103 0.262 -6.590 5.293 826 HG12 VAL 103 2HG1 VAL 103 -1.225 -5.903 5.946 827 HG13 VAL 103 3HG1 VAL 103 -0.727 -7.529 6.413 828 HG21 VAL 103 3HG2 VAL 103 -1.328 -5.132 8.304 829 HG22 VAL 103 1HG2 VAL 103 0.071 -5.312 9.360 830 HG23 VAL 103 2HG2 VAL 103 -0.866 -6.731 8.890 831 H VAL 104 H VAL 104 1.729 -8.709 5.950 832 HA VAL 104 HA VAL 104 4.050 -7.571 4.513 833 HB VAL 104 HB VAL 104 3.085 -10.444 4.558 834 HG11 VAL 104 1HG1 VAL 104 5.627 -9.256 3.435 835 HG12 VAL 104 2HG1 VAL 104 4.268 -9.877 2.498 836 HG13 VAL 104 3HG1 VAL 104 5.223 -10.974 3.493 837 HG21 VAL 104 3HG2 VAL 104 5.074 -10.892 5.948 838 HG22 VAL 104 1HG2 VAL 104 3.924 -9.820 6.747 839 HG23 VAL 104 2HG2 VAL 104 5.393 -9.158 6.025 840 H LEU 105 H LEU 105 4.079 -7.699 2.178 841 HA LEU 105 HA LEU 105 1.426 -7.399 0.986 842 HB2 LEU 105 2HB LEU 105 4.168 -6.843 -0.153 843 HB3 LEU 105 3HB LEU 105 2.651 -6.498 -0.962 844 HG LEU 105 HG LEU 105 3.670 -5.197 1.569 845 HD11 LEU 105 1HD1 LEU 105 3.751 -3.167 0.187 846 HD12 LEU 105 2HD1 LEU 105 3.283 -4.114 -1.225 847 HD13 LEU 105 3HD1 LEU 105 4.822 -4.428 -0.424 848 HD21 LEU 105 3HD2 LEU 105 1.238 -5.457 1.647 849 HD22 LEU 105 1HD2 LEU 105 1.097 -4.698 0.062 850 HD23 LEU 105 2HD2 LEU 105 1.691 -3.765 1.438 851 H LEU 106 H LEU 106 0.480 -9.080 0.012 852 HA LEU 106 HA LEU 106 2.041 -10.669 -1.876 853 HB2 LEU 106 2HB LEU 106 0.968 -12.777 -1.143 854 HB3 LEU 106 3HB LEU 106 2.071 -12.105 0.038 855 HG LEU 106 HG LEU 106 -0.922 -11.728 0.229 856 HD11 LEU 106 1HD1 LEU 106 -0.950 -13.573 1.823 857 HD12 LEU 106 2HD1 LEU 106 0.754 -13.892 1.500 858 HD13 LEU 106 3HD1 LEU 106 -0.444 -14.119 0.225 859 HD21 LEU 106 3HD2 LEU 106 0.422 -10.164 1.546 860 HD22 LEU 106 1HD2 LEU 106 1.290 -11.511 2.282 861 HD23 LEU 106 2HD2 LEU 106 -0.433 -11.293 2.595 862 H ASN 107 H ASN 107 0.798 -11.637 -3.556 863 HA ASN 107 HA ASN 107 -0.614 -11.291 -5.301 864 HB2 ASN 107 2HB ASN 107 -2.962 -12.035 -4.821 865 HB3 ASN 107 3HB ASN 107 -1.701 -13.137 -4.294 866 HD21 ASN 107 1HD2 ASN 107 -4.122 -10.853 -3.241 867 HD22 ASN 107 2HD2 ASN 107 -4.181 -11.383 -1.605 868 HA PRO 108 HA PRO 108 -1.886 -6.925 -4.640 869 HB2 PRO 108 2HB PRO 108 -1.064 -6.057 -7.083 870 HB3 PRO 108 3HB PRO 108 0.028 -6.218 -5.703 871 HG2 PRO 108 2HG PRO 108 -0.394 -8.090 -8.007 872 HG3 PRO 108 3HG PRO 108 1.124 -7.574 -7.250 873 HD2 PRO 108 2HD PRO 108 -0.047 -9.961 -6.707 874 HD3 PRO 108 3HD PRO 108 0.912 -9.071 -5.507 875 H ILE 109 H ILE 109 -3.821 -6.031 -5.192 876 HA ILE 109 HA ILE 109 -5.693 -7.534 -6.729 877 HB ILE 109 HB ILE 109 -5.894 -4.730 -5.605 878 HG12 ILE 109 2HG1 ILE 109 -5.603 -6.454 -3.887 879 HG13 ILE 109 3HG1 ILE 109 -7.243 -5.818 -3.837 880 HG21 ILE 109 1HG2 ILE 109 -8.078 -6.490 -6.742 881 HG22 ILE 109 2HG2 ILE 109 -7.469 -4.989 -7.445 882 HG23 ILE 109 3HG2 ILE 109 -8.328 -4.955 -5.906 883 HD11 ILE 109 3HD1 ILE 109 -7.264 -8.212 -3.544 884 HD12 ILE 109 1HD1 ILE 109 -6.380 -8.436 -5.053 885 HD13 ILE 109 2HD1 ILE 109 -8.023 -7.795 -5.078 886 HA PRO 110 HA PRO 110 -4.290 -6.233 -10.788 887 HB2 PRO 110 2HB PRO 110 -7.101 -7.046 -11.444 888 HB3 PRO 110 3HB PRO 110 -5.588 -7.471 -12.255 889 HG2 PRO 110 2HG PRO 110 -6.768 -9.224 -10.650 890 HG3 PRO 110 3HG PRO 110 -5.003 -9.040 -10.631 891 HD2 PRO 110 2HD PRO 110 -7.036 -8.069 -8.665 892 HD3 PRO 110 3HD PRO 110 -5.389 -8.672 -8.385 893 H LYS 111 H LYS 111 -4.287 -4.337 -11.790 894 HA LYS 111 HA LYS 111 -5.981 -2.185 -11.045 895 HB2 LYS 111 2HB LYS 111 -3.720 -1.751 -11.623 896 HB3 LYS 111 3HB LYS 111 -3.882 -2.555 -13.176 897 HG2 LYS 111 2HG LYS 111 -5.389 -0.728 -13.907 898 HG3 LYS 111 3HG LYS 111 -5.090 0.085 -12.366 899 HD2 LYS 111 2HD LYS 111 -2.667 0.100 -12.878 900 HD3 LYS 111 3HD LYS 111 -3.015 -0.635 -14.444 901 HE2 LYS 111 2HE LYS 111 -4.006 2.041 -13.490 902 HE3 LYS 111 3HE LYS 111 -2.679 1.779 -14.615 903 HZ1 LYS 111 3HZ LYS 111 -4.611 2.301 -15.872 904 HZ2 LYS 111 1HZ LYS 111 -5.544 1.145 -15.059 905 HZ3 LYS 111 2HZ LYS 111 -4.303 0.654 -16.094 906 H ASP 112 H ASP 112 -7.469 -1.024 -12.256 907 HA ASP 112 HA ASP 112 -9.338 -2.432 -13.764 908 HB2 ASP 112 2HB ASP 112 -8.894 0.563 -13.842 909 HB3 ASP 112 3HB ASP 112 -10.404 -0.301 -14.126 910 H LYS 113 H LYS 113 -8.851 -3.393 -15.668 911 HA LYS 113 HA LYS 113 -7.007 -2.416 -17.589 912 HB2 LYS 113 2HB LYS 113 -9.239 -4.444 -17.836 913 HB3 LYS 113 3HB LYS 113 -8.085 -4.110 -19.119 914 HG2 LYS 113 2HG LYS 113 -7.398 -5.154 -16.371 915 HG3 LYS 113 3HG LYS 113 -7.502 -6.118 -17.847 916 HD2 LYS 113 2HD LYS 113 -5.705 -4.676 -18.828 917 HD3 LYS 113 3HD LYS 113 -5.543 -3.892 -17.255 918 HE2 LYS 113 2HE LYS 113 -3.844 -5.585 -17.454 919 HE3 LYS 113 3HE LYS 113 -5.030 -6.114 -16.262 920 HZ1 LYS 113 3HZ LYS 113 -4.440 -7.927 -17.709 921 HZ2 LYS 113 1HZ LYS 113 -4.842 -7.027 -19.083 922 HZ3 LYS 113 2HZ LYS 113 -6.050 -7.500 -17.997 923 H LYS 114 H LYS 114 -10.538 -2.216 -17.374 924 HA LYS 114 HA LYS 114 -10.510 0.094 -19.155 925 HB2 LYS 114 2HB LYS 114 -12.293 -0.792 -20.588 926 HB3 LYS 114 3HB LYS 114 -10.854 -1.797 -20.678 927 HG2 LYS 114 2HG LYS 114 -11.867 -3.446 -19.220 928 HG3 LYS 114 3HG LYS 114 -13.283 -2.420 -18.999 929 HD2 LYS 114 2HD LYS 114 -13.793 -4.152 -20.601 930 HD3 LYS 114 3HD LYS 114 -13.748 -2.590 -21.423 931 HE2 LYS 114 2HE LYS 114 -11.525 -3.074 -22.276 932 HE3 LYS 114 3HE LYS 114 -11.484 -4.593 -21.377 933 HZ1 LYS 114 3HZ LYS 114 -13.337 -5.385 -22.701 934 HZ2 LYS 114 1HZ LYS 114 -12.051 -4.940 -23.704 935 HZ3 LYS 114 2HZ LYS 114 -13.394 -3.928 -23.551 936 H TRP 115 H TRP 115 -12.015 1.601 -18.630 937 HA TRP 115 HA TRP 115 -13.708 1.086 -16.311 938 HB2 TRP 115 2HB TRP 115 -13.121 3.629 -17.849 939 HB3 TRP 115 3HB TRP 115 -14.169 3.544 -16.435 940 HD1 TRP 115 HD1 TRP 115 -10.500 3.520 -17.444 941 HE1 TRP 115 HE1 TRP 115 -9.042 3.688 -15.329 942 HE3 TRP 115 HE3 TRP 115 -14.135 2.927 -13.901 943 HZ2 TRP 115 HZ2 TRP 115 -9.385 3.587 -12.527 944 HZ3 TRP 115 HZ3 TRP 115 -13.488 2.973 -11.525 945 HH2 TRP 115 HH2 TRP 115 -11.162 3.296 -10.855 946 H ILE 116 H ILE 116 -14.140 0.250 -19.299 947 HA ILE 116 HA ILE 116 -16.780 1.290 -19.859 948 HB ILE 116 HB ILE 116 -15.295 -1.011 -21.156 949 HG12 ILE 116 2HG1 ILE 116 -15.542 1.892 -22.007 950 HG13 ILE 116 3HG1 ILE 116 -14.090 1.128 -21.371 951 HG21 ILE 116 1HG2 ILE 116 -16.865 -0.720 -23.015 952 HG22 ILE 116 2HG2 ILE 116 -17.718 0.527 -22.105 953 HG23 ILE 116 3HG2 ILE 116 -17.709 -1.139 -21.524 954 HD11 ILE 116 3HD1 ILE 116 -13.943 1.342 -23.764 955 HD12 ILE 116 1HD1 ILE 116 -15.460 0.468 -23.970 956 HD13 ILE 116 2HD1 ILE 116 -14.044 -0.361 -23.325 Start of MODEL 9 1 H1 MET 1 1H MET 1 28.655 -7.538 -29.341 2 H2 MET 1 2H MET 1 28.513 -5.854 -29.263 3 H3 MET 1 3H MET 1 29.858 -6.553 -30.010 4 HA MET 1 HA MET 1 28.331 -5.712 -31.653 5 HB2 MET 1 2HB MET 1 28.110 -7.720 -33.006 6 HB3 MET 1 3HB MET 1 29.650 -7.749 -32.161 7 HG2 MET 1 2HG MET 1 28.869 -9.376 -30.614 8 HG3 MET 1 3HG MET 1 27.205 -9.196 -31.166 9 HE1 MET 1 3HE MET 1 27.544 -9.099 -34.341 10 HE2 MET 1 1HE MET 1 26.309 -10.031 -33.493 11 HE3 MET 1 2HE MET 1 27.310 -10.806 -34.719 12 H GLY 2 H GLY 2 26.259 -5.811 -32.683 13 HA2 GLY 2 2HA GLY 2 24.028 -6.302 -32.940 14 HA3 GLY 2 3HA GLY 2 24.174 -7.499 -31.672 15 H HIS 3 H HIS 3 25.270 -5.018 -30.006 16 HA HIS 3 HA HIS 3 24.385 -3.782 -28.304 17 HB2 HIS 3 2HB HIS 3 23.741 -2.328 -30.206 18 HB3 HIS 3 3HB HIS 3 22.216 -3.193 -30.345 19 HD1 HIS 3 HD1 HIS 3 20.326 -2.065 -29.220 20 HD2 HIS 3 HD2 HIS 3 23.962 -1.079 -27.468 21 HE1 HIS 3 HE1 HIS 3 19.777 -0.404 -27.422 22 HE2 HIS 3 HE2 HIS 3 21.969 0.061 -26.283 23 H HIS 4 H HIS 4 23.746 -6.555 -28.390 24 HA HIS 4 HA HIS 4 21.088 -7.284 -28.164 25 HB2 HIS 4 2HB HIS 4 21.931 -9.271 -26.915 26 HB3 HIS 4 3HB HIS 4 22.820 -8.937 -28.396 27 HD1 HIS 4 HD1 HIS 4 25.303 -8.710 -28.192 28 HD2 HIS 4 HD2 HIS 4 23.387 -8.466 -24.505 29 HE1 HIS 4 HE1 HIS 4 27.138 -8.654 -26.476 30 HE2 HIS 4 HE2 HIS 4 25.960 -8.450 -24.259 31 H HIS 5 H HIS 5 19.728 -7.796 -26.415 32 HA HIS 5 HA HIS 5 20.377 -6.672 -23.788 33 HB2 HIS 5 2HB HIS 5 18.015 -5.699 -23.699 34 HB3 HIS 5 3HB HIS 5 19.180 -4.846 -24.704 35 HD1 HIS 5 HD1 HIS 5 16.331 -7.347 -25.099 36 HD2 HIS 5 HD2 HIS 5 18.353 -4.424 -27.255 37 HE1 HIS 5 HE1 HIS 5 15.069 -7.108 -27.252 38 HE2 HIS 5 HE2 HIS 5 16.195 -5.207 -28.446 39 H HIS 6 H HIS 6 20.367 -8.528 -22.635 40 HA HIS 6 HA HIS 6 18.719 -10.751 -23.328 41 HB2 HIS 6 2HB HIS 6 20.987 -10.965 -22.344 42 HB3 HIS 6 3HB HIS 6 20.360 -10.358 -20.816 43 HD1 HIS 6 HD1 HIS 6 20.211 -12.289 -19.267 44 HD2 HIS 6 HD2 HIS 6 18.996 -13.306 -23.106 45 HE1 HIS 6 HE1 HIS 6 19.456 -14.671 -19.119 46 HE2 HIS 6 HE2 HIS 6 18.495 -15.169 -21.386 47 H HIS 7 H HIS 7 18.405 -8.203 -20.890 48 HA HIS 7 HA HIS 7 16.002 -9.548 -19.840 49 HB2 HIS 7 2HB HIS 7 16.110 -8.065 -17.929 50 HB3 HIS 7 3HB HIS 7 17.689 -8.800 -18.174 51 HD1 HIS 7 HD1 HIS 7 15.930 -5.527 -18.148 52 HD2 HIS 7 HD2 HIS 7 19.727 -6.994 -18.988 53 HE1 HIS 7 HE1 HIS 7 17.422 -3.515 -18.261 54 HE2 HIS 7 HE2 HIS 7 19.729 -4.438 -18.609 55 H HIS 8 H HIS 8 14.000 -8.851 -20.311 56 HA HIS 8 HA HIS 8 13.665 -6.440 -21.938 57 HB2 HIS 8 2HB HIS 8 12.536 -8.666 -22.440 58 HB3 HIS 8 3HB HIS 8 11.524 -8.386 -21.030 59 HD1 HIS 8 HD1 HIS 8 9.948 -6.179 -21.191 60 HD2 HIS 8 HD2 HIS 8 11.658 -7.497 -24.742 61 HE1 HIS 8 HE1 HIS 8 8.608 -5.112 -23.018 62 HE2 HIS 8 HE2 HIS 8 9.578 -6.019 -25.149 63 H SER 9 H SER 9 13.773 -7.127 -18.720 64 HA SER 9 HA SER 9 11.588 -6.015 -17.479 65 HB2 SER 9 2HB SER 9 13.083 -5.612 -15.538 66 HB3 SER 9 3HB SER 9 13.320 -7.208 -16.251 67 HG SER 9 HG SER 9 15.254 -5.812 -15.725 68 H HIS 10 H HIS 10 10.685 -4.085 -17.687 69 HA HIS 10 HA HIS 10 12.299 -1.694 -17.271 70 HB2 HIS 10 2HB HIS 10 10.656 -2.191 -19.744 71 HB3 HIS 10 3HB HIS 10 10.874 -0.551 -19.144 72 HD1 HIS 10 HD1 HIS 10 12.568 -3.215 -21.047 73 HD2 HIS 10 HD2 HIS 10 13.606 0.351 -19.180 74 HE1 HIS 10 HE1 HIS 10 14.847 -2.629 -21.923 75 HE2 HIS 10 HE2 HIS 10 15.515 -0.557 -20.665 76 H MET 11 H MET 11 11.149 0.023 -16.315 77 HA MET 11 HA MET 11 8.981 -0.990 -14.699 78 HB2 MET 11 2HB MET 11 9.237 1.147 -13.444 79 HB3 MET 11 3HB MET 11 10.707 0.195 -13.556 80 HG2 MET 11 2HG MET 11 11.343 2.442 -13.868 81 HG3 MET 11 3HG MET 11 11.408 1.690 -15.459 82 HE1 MET 11 3HE MET 11 8.217 2.867 -13.459 83 HE2 MET 11 1HE MET 11 8.006 4.503 -14.088 84 HE3 MET 11 2HE MET 11 9.403 4.118 -13.086 85 H LYS 12 H LYS 12 6.889 -0.400 -14.672 86 HA LYS 12 HA LYS 12 5.862 1.391 -16.739 87 HB2 LYS 12 2HB LYS 12 4.539 -0.459 -14.742 88 HB3 LYS 12 3HB LYS 12 3.617 0.656 -15.737 89 HG2 LYS 12 2HG LYS 12 5.408 -1.532 -16.792 90 HG3 LYS 12 3HG LYS 12 3.652 -1.633 -16.633 91 HD2 LYS 12 2HD LYS 12 3.557 0.449 -18.110 92 HD3 LYS 12 3HD LYS 12 5.263 0.153 -18.455 93 HE2 LYS 12 2HE LYS 12 2.972 -1.747 -18.981 94 HE3 LYS 12 3HE LYS 12 3.831 -0.795 -20.191 95 HZ1 LYS 12 3HZ LYS 12 4.961 -2.984 -18.534 96 HZ2 LYS 12 1HZ LYS 12 5.864 -2.019 -19.588 97 HZ3 LYS 12 2HZ LYS 12 4.652 -3.027 -20.195 98 HA PRO 13 HA PRO 13 5.449 4.909 -13.972 99 HB2 PRO 13 2HB PRO 13 3.144 5.991 -15.081 100 HB3 PRO 13 3HB PRO 13 4.785 6.278 -15.668 101 HG2 PRO 13 2HG PRO 13 2.720 4.363 -16.678 102 HG3 PRO 13 3HG PRO 13 3.860 5.367 -17.592 103 HD2 PRO 13 2HD PRO 13 4.287 2.739 -17.229 104 HD3 PRO 13 3HD PRO 13 5.629 3.903 -17.243 105 H LEU 14 H LEU 14 4.084 5.646 -12.248 106 HA LEU 14 HA LEU 14 2.884 3.677 -10.739 107 HB2 LEU 14 2HB LEU 14 3.650 5.856 -9.877 108 HB3 LEU 14 3HB LEU 14 2.282 6.636 -10.649 109 HG LEU 14 HG LEU 14 0.747 5.341 -9.184 110 HD11 LEU 14 1HD1 LEU 14 2.121 3.400 -8.742 111 HD12 LEU 14 2HD1 LEU 14 1.663 4.175 -7.226 112 HD13 LEU 14 3HD1 LEU 14 3.292 4.392 -7.870 113 HD21 LEU 14 3HD2 LEU 14 2.832 6.973 -7.731 114 HD22 LEU 14 1HD2 LEU 14 1.222 6.585 -7.126 115 HD23 LEU 14 2HD2 LEU 14 1.403 7.597 -8.557 116 H ALA 15 H ALA 15 1.290 5.886 -13.002 117 HA ALA 15 HA ALA 15 -1.377 5.219 -12.289 118 HB1 ALA 15 3HB ALA 15 -0.337 6.407 -14.859 119 HB2 ALA 15 1HB ALA 15 -0.783 7.310 -13.410 120 HB3 ALA 15 2HB ALA 15 -2.014 6.419 -14.309 121 H GLU 16 H GLU 16 0.931 3.517 -14.191 122 HA GLU 16 HA GLU 16 -1.131 1.971 -15.604 123 HB2 GLU 16 2HB GLU 16 1.876 2.096 -15.904 124 HB3 GLU 16 3HB GLU 16 0.871 0.943 -16.772 125 HG2 GLU 16 2HG GLU 16 0.634 3.942 -16.963 126 HG3 GLU 16 3HG GLU 16 1.464 2.906 -18.123 127 H GLN 17 H GLN 17 0.203 1.827 -12.654 128 HA GLN 17 HA GLN 17 0.959 -0.957 -12.539 129 HB2 GLN 17 2HB GLN 17 0.464 1.075 -10.349 130 HB3 GLN 17 3HB GLN 17 1.086 -0.546 -10.079 131 HG2 GLN 17 2HG GLN 17 2.436 1.575 -11.743 132 HG3 GLN 17 3HG GLN 17 2.847 1.173 -10.077 133 HE21 GLN 17 1HE2 GLN 17 4.483 1.044 -12.488 134 HE22 GLN 17 2HE2 GLN 17 5.023 -0.591 -12.607 135 H ASP 18 H ASP 18 -0.340 -2.662 -12.186 136 HA ASP 18 HA ASP 18 -3.143 -2.418 -12.202 137 HB2 ASP 18 2HB ASP 18 -3.113 -4.893 -11.737 138 HB3 ASP 18 3HB ASP 18 -2.155 -4.383 -13.123 139 H TRP 19 H TRP 19 -0.877 -2.793 -9.537 140 HA TRP 19 HA TRP 19 -2.897 -3.213 -7.542 141 HB2 TRP 19 2HB TRP 19 -0.977 -2.672 -5.943 142 HB3 TRP 19 3HB TRP 19 -0.776 -4.075 -6.982 143 HD1 TRP 19 HD1 TRP 19 1.102 -3.946 -8.884 144 HE1 TRP 19 HE1 TRP 19 3.133 -2.400 -9.201 145 HE3 TRP 19 HE3 TRP 19 -0.160 -0.246 -5.579 146 HZ2 TRP 19 HZ2 TRP 19 4.087 0.047 -8.175 147 HZ3 TRP 19 HZ3 TRP 19 1.374 1.662 -5.307 148 HH2 TRP 19 HH2 TRP 19 3.453 1.803 -6.579 149 H TYR 20 H TYR 20 -1.866 -0.464 -9.230 150 HA TYR 20 HA TYR 20 -2.703 1.405 -7.136 151 HB2 TYR 20 2HB TYR 20 -0.710 2.001 -8.411 152 HB3 TYR 20 3HB TYR 20 -1.605 1.879 -9.922 153 HD1 TYR 20 HD2 TYR 20 -1.759 3.710 -6.658 154 HD2 TYR 20 HD1 TYR 20 -2.398 3.854 -10.869 155 HE1 TYR 20 HE2 TYR 20 -2.341 6.089 -6.487 156 HE2 TYR 20 HE1 TYR 20 -2.985 6.236 -10.702 157 HH TYR 20 HH TYR 20 -2.346 8.108 -7.978 158 H HIS 21 H HIS 21 -4.801 1.935 -6.963 159 HA HIS 21 HA HIS 21 -6.546 1.550 -9.316 160 HB2 HIS 21 2HB HIS 21 -7.147 1.420 -6.358 161 HB3 HIS 21 3HB HIS 21 -8.403 1.429 -7.593 162 HD1 HIS 21 HD1 HIS 21 -9.197 -0.852 -8.120 163 HD2 HIS 21 HD2 HIS 21 -5.184 -0.835 -7.034 164 HE1 HIS 21 HE1 HIS 21 -8.450 -3.249 -8.250 165 HE2 HIS 21 HE2 HIS 21 -5.978 -3.171 -7.800 166 H GLY 22 H GLY 22 -4.984 4.025 -8.043 167 HA2 GLY 22 2HA GLY 22 -5.235 6.279 -8.492 168 HA3 GLY 22 3HA GLY 22 -6.812 5.932 -9.175 169 H ALA 23 H ALA 23 -7.213 8.057 -8.071 170 HA ALA 23 HA ALA 23 -7.453 8.099 -5.213 171 HB1 ALA 23 3HB ALA 23 -7.076 10.149 -6.493 172 HB2 ALA 23 1HB ALA 23 -8.546 10.258 -5.524 173 HB3 ALA 23 2HB ALA 23 -8.654 9.967 -7.262 174 H ILE 24 H ILE 24 -8.758 6.357 -4.602 175 HA ILE 24 HA ILE 24 -11.616 6.599 -5.318 176 HB ILE 24 HB ILE 24 -11.854 4.166 -4.956 177 HG12 ILE 24 2HG1 ILE 24 -8.822 4.147 -4.809 178 HG13 ILE 24 3HG1 ILE 24 -9.904 3.863 -3.448 179 HG21 ILE 24 1HG2 ILE 24 -11.566 5.008 -7.215 180 HG22 ILE 24 2HG2 ILE 24 -10.771 3.444 -7.043 181 HG23 ILE 24 3HG2 ILE 24 -9.812 4.924 -7.048 182 HD11 ILE 24 3HD1 ILE 24 -10.772 1.867 -4.583 183 HD12 ILE 24 1HD1 ILE 24 -9.034 1.778 -4.298 184 HD13 ILE 24 2HD1 ILE 24 -9.644 2.149 -5.910 185 HA PRO 25 HA PRO 25 -12.653 7.046 -1.016 186 HB2 PRO 25 2HB PRO 25 -14.841 5.082 -1.478 187 HB3 PRO 25 3HB PRO 25 -14.925 6.742 -0.876 188 HG2 PRO 25 2HG PRO 25 -15.719 6.153 -3.350 189 HG3 PRO 25 3HG PRO 25 -14.846 7.660 -3.011 190 HD2 PRO 25 2HD PRO 25 -13.830 5.118 -4.233 191 HD3 PRO 25 3HD PRO 25 -13.475 6.801 -4.676 192 H ARG 26 H ARG 26 -12.645 5.962 1.002 193 HA ARG 26 HA ARG 26 -10.926 3.775 1.277 194 HB2 ARG 26 2HB ARG 26 -11.494 5.479 3.023 195 HB3 ARG 26 3HB ARG 26 -13.042 4.679 3.246 196 HG2 ARG 26 2HG ARG 26 -11.929 2.666 4.019 197 HG3 ARG 26 3HG ARG 26 -10.350 3.400 3.715 198 HD2 ARG 26 2HD ARG 26 -12.422 4.371 5.690 199 HD3 ARG 26 3HD ARG 26 -10.926 3.529 6.088 200 HE ARG 26 HE ARG 26 -9.743 5.499 5.168 201 HH11 ARG 26 1HH1 ARG 26 -13.004 5.845 6.230 202 HH12 ARG 26 2HH1 ARG 26 -12.848 7.545 6.500 203 HH21 ARG 26 1HH2 ARG 26 -9.564 7.689 5.499 204 HH22 ARG 26 2HH2 ARG 26 -10.926 8.577 6.086 205 H ILE 27 H ILE 27 -14.415 3.891 0.939 206 HA ILE 27 HA ILE 27 -15.079 1.247 1.613 207 HB ILE 27 HB ILE 27 -16.398 2.996 -0.482 208 HG12 ILE 27 2HG1 ILE 27 -17.009 2.724 2.480 209 HG13 ILE 27 3HG1 ILE 27 -16.223 4.109 1.726 210 HG21 ILE 27 1HG2 ILE 27 -17.094 0.670 -0.656 211 HG22 ILE 27 2HG2 ILE 27 -18.409 1.648 -0.004 212 HG23 ILE 27 3HG2 ILE 27 -17.453 0.625 1.070 213 HD11 ILE 27 3HD1 ILE 27 -18.559 4.562 2.164 214 HD12 ILE 27 1HD1 ILE 27 -19.034 3.162 1.204 215 HD13 ILE 27 2HD1 ILE 27 -18.250 4.539 0.427 216 H GLU 28 H GLU 28 -14.523 2.615 -1.654 217 HA GLU 28 HA GLU 28 -14.603 0.256 -3.114 218 HB2 GLU 28 2HB GLU 28 -12.947 2.746 -3.593 219 HB3 GLU 28 3HB GLU 28 -13.148 1.458 -4.775 220 HG2 GLU 28 2HG GLU 28 -15.391 3.120 -3.628 221 HG3 GLU 28 3HG GLU 28 -14.618 3.389 -5.189 222 H ALA 29 H ALA 29 -12.004 1.577 -1.174 223 HA ALA 29 HA ALA 29 -9.920 -0.115 -2.072 224 HB1 ALA 29 3HB ALA 29 -9.521 1.957 -0.822 225 HB2 ALA 29 1HB ALA 29 -8.738 0.575 -0.059 226 HB3 ALA 29 2HB ALA 29 -10.231 1.224 0.617 227 H GLN 30 H GLN 30 -12.212 -0.439 0.666 228 HA GLN 30 HA GLN 30 -11.061 -2.935 1.532 229 HB2 GLN 30 2HB GLN 30 -13.011 -3.072 3.064 230 HB3 GLN 30 3HB GLN 30 -12.132 -1.555 3.197 231 HG2 GLN 30 2HG GLN 30 -13.836 -0.329 2.198 232 HG3 GLN 30 3HG GLN 30 -14.550 -1.750 1.438 233 HE21 GLN 30 1HE2 GLN 30 -15.990 -2.982 2.577 234 HE22 GLN 30 2HE2 GLN 30 -16.613 -2.528 4.123 235 H GLU 31 H GLU 31 -13.784 -2.031 -0.508 236 HA GLU 31 HA GLU 31 -15.263 -4.382 -0.435 237 HB2 GLU 31 2HB GLU 31 -14.939 -2.373 -2.666 238 HB3 GLU 31 3HB GLU 31 -16.130 -3.668 -2.691 239 HG2 GLU 31 2HG GLU 31 -15.964 -1.451 -0.653 240 HG3 GLU 31 3HG GLU 31 -17.122 -1.565 -1.975 241 H LEU 32 H LEU 32 -12.413 -3.658 -2.400 242 HA LEU 32 HA LEU 32 -12.760 -6.090 -3.940 243 HB2 LEU 32 2HB LEU 32 -10.749 -5.400 -5.142 244 HB3 LEU 32 3HB LEU 32 -11.958 -4.139 -5.082 245 HG LEU 32 HG LEU 32 -10.509 -3.303 -3.016 246 HD11 LEU 32 1HD1 LEU 32 -8.089 -3.635 -3.542 247 HD12 LEU 32 2HD1 LEU 32 -8.560 -4.912 -4.659 248 HD13 LEU 32 3HD1 LEU 32 -8.915 -5.068 -2.937 249 HD21 LEU 32 3HD2 LEU 32 -9.319 -1.819 -4.556 250 HD22 LEU 32 1HD2 LEU 32 -11.006 -2.011 -5.028 251 HD23 LEU 32 2HD2 LEU 32 -9.740 -2.868 -5.910 252 H LEU 33 H LEU 33 -11.287 -5.307 -0.986 253 HA LEU 33 HA LEU 33 -9.245 -7.379 -1.092 254 HB2 LEU 33 2HB LEU 33 -10.215 -5.739 1.258 255 HB3 LEU 33 3HB LEU 33 -8.764 -6.727 1.216 256 HG LEU 33 HG LEU 33 -9.240 -4.263 -0.476 257 HD11 LEU 33 1HD1 LEU 33 -8.985 -3.718 1.890 258 HD12 LEU 33 2HD1 LEU 33 -7.591 -3.188 0.952 259 HD13 LEU 33 3HD1 LEU 33 -7.481 -4.639 1.947 260 HD21 LEU 33 3HD2 LEU 33 -7.787 -5.914 -1.554 261 HD22 LEU 33 1HD2 LEU 33 -6.761 -5.950 -0.120 262 HD23 LEU 33 2HD2 LEU 33 -6.890 -4.474 -1.078 263 H LYS 34 H LYS 34 -10.036 -9.451 -1.103 264 HA LYS 34 HA LYS 34 -12.252 -10.065 0.755 265 HB2 LYS 34 2HB LYS 34 -12.892 -11.914 -0.688 266 HB3 LYS 34 3HB LYS 34 -12.879 -10.406 -1.580 267 HG2 LYS 34 2HG LYS 34 -10.545 -12.295 -1.660 268 HG3 LYS 34 3HG LYS 34 -11.941 -12.501 -2.714 269 HD2 LYS 34 2HD LYS 34 -10.329 -9.951 -2.568 270 HD3 LYS 34 3HD LYS 34 -9.992 -11.249 -3.710 271 HE2 LYS 34 2HE LYS 34 -11.299 -9.631 -4.862 272 HE3 LYS 34 3HE LYS 34 -12.352 -11.007 -4.547 273 HZ1 LYS 34 3HZ LYS 34 -13.385 -8.822 -4.124 274 HZ2 LYS 34 1HZ LYS 34 -12.272 -8.555 -2.884 275 HZ3 LYS 34 2HZ LYS 34 -13.385 -9.824 -2.765 276 H LYS 35 H LYS 35 -9.158 -11.381 -0.464 277 HA LYS 35 HA LYS 35 -9.216 -13.259 1.822 278 HB2 LYS 35 2HB LYS 35 -7.474 -14.558 0.461 279 HB3 LYS 35 3HB LYS 35 -9.148 -14.625 -0.071 280 HG2 LYS 35 2HG LYS 35 -8.745 -13.208 -1.900 281 HG3 LYS 35 3HG LYS 35 -7.191 -12.679 -1.256 282 HD2 LYS 35 2HD LYS 35 -7.751 -15.529 -2.075 283 HD3 LYS 35 3HD LYS 35 -7.091 -14.320 -3.180 284 HE2 LYS 35 2HE LYS 35 -5.832 -15.107 -0.549 285 HE3 LYS 35 3HE LYS 35 -5.354 -15.750 -2.120 286 HZ1 LYS 35 3HZ LYS 35 -3.949 -13.895 -1.329 287 HZ2 LYS 35 1HZ LYS 35 -5.287 -12.861 -1.413 288 HZ3 LYS 35 2HZ LYS 35 -4.679 -13.579 -2.821 289 H GLN 36 H GLN 36 -6.913 -13.951 2.496 290 HA GLN 36 HA GLN 36 -5.674 -11.670 3.612 291 HB2 GLN 36 2HB GLN 36 -5.670 -13.888 4.693 292 HB3 GLN 36 3HB GLN 36 -4.611 -14.500 3.430 293 HG2 GLN 36 2HG GLN 36 -2.860 -12.948 4.129 294 HG3 GLN 36 3HG GLN 36 -3.920 -12.299 5.377 295 HE21 GLN 36 1HE2 GLN 36 -4.399 -13.589 7.182 296 HE22 GLN 36 2HE2 GLN 36 -3.410 -14.934 7.613 297 H GLY 37 H GLY 37 -3.899 -10.506 3.071 298 HA2 GLY 37 2HA GLY 37 -1.750 -10.218 2.066 299 HA3 GLY 37 3HA GLY 37 -2.176 -11.424 0.864 300 H ASP 38 H ASP 38 -4.779 -10.293 0.297 301 HA ASP 38 HA ASP 38 -4.244 -8.787 -1.928 302 HB2 ASP 38 2HB ASP 38 -6.743 -8.637 -0.218 303 HB3 ASP 38 3HB ASP 38 -6.621 -8.140 -1.902 304 H PHE 39 H PHE 39 -3.563 -6.750 -2.282 305 HA PHE 39 HA PHE 39 -4.332 -4.627 -0.418 306 HB2 PHE 39 2HB PHE 39 -2.096 -3.764 -0.177 307 HB3 PHE 39 3HB PHE 39 -2.096 -5.453 0.309 308 HD1 PHE 39 HD1 PHE 39 -1.070 -7.167 -1.177 309 HD2 PHE 39 HD2 PHE 39 -0.780 -2.996 -2.013 310 HE1 PHE 39 HE1 PHE 39 0.792 -7.605 -2.724 311 HE2 PHE 39 HE2 PHE 39 1.081 -3.435 -3.557 312 HZ PHE 39 HZ PHE 39 1.869 -5.741 -3.916 313 H LEU 40 H LEU 40 -4.105 -2.485 -1.240 314 HA LEU 40 HA LEU 40 -3.333 -2.122 -4.030 315 HB2 LEU 40 2HB LEU 40 -5.345 -1.075 -4.736 316 HB3 LEU 40 3HB LEU 40 -5.812 -2.605 -4.017 317 HG LEU 40 HG LEU 40 -5.909 -0.050 -2.418 318 HD11 LEU 40 1HD1 LEU 40 -8.104 -1.142 -4.170 319 HD12 LEU 40 2HD1 LEU 40 -7.214 0.357 -4.428 320 HD13 LEU 40 3HD1 LEU 40 -8.260 0.186 -3.019 321 HD21 LEU 40 3HD2 LEU 40 -7.535 -1.239 -1.093 322 HD22 LEU 40 1HD2 LEU 40 -6.077 -2.217 -1.234 323 HD23 LEU 40 2HD2 LEU 40 -7.499 -2.608 -2.201 324 H VAL 41 H VAL 41 -2.897 0.095 -4.564 325 HA VAL 41 HA VAL 41 -2.702 1.904 -2.237 326 HB VAL 41 HB VAL 41 -1.125 1.945 -4.826 327 HG11 VAL 41 1HG1 VAL 41 -0.933 3.805 -2.442 328 HG12 VAL 41 2HG1 VAL 41 -1.568 4.227 -4.031 329 HG13 VAL 41 3HG1 VAL 41 0.134 3.812 -3.847 330 HG21 VAL 41 3HG2 VAL 41 0.798 1.429 -3.398 331 HG22 VAL 41 1HG2 VAL 41 -0.438 0.178 -3.270 332 HG23 VAL 41 2HG2 VAL 41 -0.254 1.373 -1.984 333 H ARG 42 H ARG 42 -3.841 3.744 -2.214 334 HA ARG 42 HA ARG 42 -5.168 4.638 -4.703 335 HB2 ARG 42 2HB ARG 42 -7.196 5.106 -3.481 336 HB3 ARG 42 3HB ARG 42 -6.750 3.434 -3.168 337 HG2 ARG 42 2HG ARG 42 -5.902 4.000 -0.991 338 HG3 ARG 42 3HG ARG 42 -6.100 5.721 -1.311 339 HD2 ARG 42 2HD ARG 42 -8.566 5.307 -1.526 340 HD3 ARG 42 3HD ARG 42 -8.275 3.658 -0.971 341 HE ARG 42 HE ARG 42 -7.397 4.665 1.106 342 HH11 ARG 42 1HH1 ARG 42 -9.511 6.522 -0.880 343 HH12 ARG 42 2HH1 ARG 42 -9.990 7.566 0.415 344 HH21 ARG 42 1HH2 ARG 42 -8.024 6.033 2.766 345 HH22 ARG 42 2HH2 ARG 42 -9.157 7.294 2.442 346 H GLU 43 H GLU 43 -6.046 6.950 -4.413 347 HA GLU 43 HA GLU 43 -4.287 8.535 -2.639 348 HB2 GLU 43 2HB GLU 43 -3.937 8.904 -5.101 349 HB3 GLU 43 3HB GLU 43 -5.591 9.495 -5.197 350 HG2 GLU 43 2HG GLU 43 -4.996 11.262 -3.546 351 HG3 GLU 43 3HG GLU 43 -3.325 10.707 -3.620 352 H SER 44 H SER 44 -5.218 10.140 -1.378 353 HA SER 44 HA SER 44 -7.981 9.754 -0.681 354 HB2 SER 44 2HB SER 44 -6.016 11.840 0.318 355 HB3 SER 44 3HB SER 44 -7.566 11.440 1.057 356 HG SER 44 HG SER 44 -5.209 9.898 0.912 357 H HIS 45 H HIS 45 -9.734 11.094 -1.026 358 HA HIS 45 HA HIS 45 -9.529 13.004 -3.185 359 HB2 HIS 45 2HB HIS 45 -11.807 11.911 -1.559 360 HB3 HIS 45 3HB HIS 45 -12.051 13.324 -2.581 361 HD1 HIS 45 HD1 HIS 45 -12.254 12.952 -5.069 362 HD2 HIS 45 HD2 HIS 45 -11.215 9.501 -3.001 363 HE1 HIS 45 HE1 HIS 45 -12.451 11.090 -6.733 364 HE2 HIS 45 HE2 HIS 45 -11.673 9.043 -5.507 365 H GLY 46 H GLY 46 -10.437 13.233 0.265 366 HA2 GLY 46 2HA GLY 46 -10.847 16.025 0.297 367 HA3 GLY 46 3HA GLY 46 -10.489 15.031 1.699 368 H LYS 47 H LYS 47 -7.917 14.165 0.400 369 HA LYS 47 HA LYS 47 -6.369 16.665 0.623 370 HB2 LYS 47 2HB LYS 47 -6.381 14.993 2.661 371 HB3 LYS 47 3HB LYS 47 -5.275 14.063 1.666 372 HG2 LYS 47 2HG LYS 47 -4.840 16.921 2.541 373 HG3 LYS 47 3HG LYS 47 -4.137 15.501 3.313 374 HD2 LYS 47 2HD LYS 47 -3.084 14.965 1.064 375 HD3 LYS 47 3HD LYS 47 -3.589 16.573 0.547 376 HE2 LYS 47 2HE LYS 47 -1.269 16.585 1.313 377 HE3 LYS 47 3HE LYS 47 -2.286 17.571 2.365 378 HZ1 LYS 47 3HZ LYS 47 -0.751 16.178 3.618 379 HZ2 LYS 47 1HZ LYS 47 -1.425 14.784 2.940 380 HZ3 LYS 47 2HZ LYS 47 -2.353 15.767 3.953 381 HA PRO 48 HA PRO 48 -5.484 14.735 -3.475 382 HB2 PRO 48 2HB PRO 48 -4.362 17.055 -4.495 383 HB3 PRO 48 3HB PRO 48 -6.077 16.643 -4.580 384 HG2 PRO 48 2HG PRO 48 -4.647 18.417 -2.639 385 HG3 PRO 48 3HG PRO 48 -6.216 18.656 -3.430 386 HD2 PRO 48 2HD PRO 48 -6.050 17.836 -0.880 387 HD3 PRO 48 3HD PRO 48 -7.315 17.215 -1.962 388 H GLY 49 H GLY 49 -3.675 13.648 -4.001 389 HA2 GLY 49 2HA GLY 49 -1.378 13.298 -4.329 390 HA3 GLY 49 3HA GLY 49 -1.031 14.719 -3.360 391 H GLU 50 H GLU 50 -3.097 13.281 -1.395 392 HA GLU 50 HA GLU 50 -0.996 11.997 0.149 393 HB2 GLU 50 2HB GLU 50 -2.628 13.537 1.205 394 HB3 GLU 50 3HB GLU 50 -3.917 12.401 0.838 395 HG2 GLU 50 2HG GLU 50 -2.952 10.758 2.317 396 HG3 GLU 50 3HG GLU 50 -1.543 11.785 2.591 397 H TYR 51 H TYR 51 -0.499 10.038 -0.685 398 HA TYR 51 HA TYR 51 -2.514 8.207 -1.623 399 HB2 TYR 51 2HB TYR 51 0.487 8.033 -1.374 400 HB3 TYR 51 3HB TYR 51 -0.489 6.662 -1.895 401 HD1 TYR 51 HD2 TYR 51 0.438 10.160 -2.764 402 HD2 TYR 51 HD1 TYR 51 -1.273 6.502 -4.115 403 HE1 TYR 51 HE2 TYR 51 0.451 11.010 -5.072 404 HE2 TYR 51 HE1 TYR 51 -1.260 7.346 -6.418 405 HH TYR 51 HH TYR 51 0.422 10.148 -7.356 406 H VAL 52 H VAL 52 -3.301 6.418 -0.681 407 HA VAL 52 HA VAL 52 -2.354 5.709 2.025 408 HB VAL 52 HB VAL 52 -5.244 5.772 1.104 409 HG11 VAL 52 1HG1 VAL 52 -4.076 5.058 3.803 410 HG12 VAL 52 2HG1 VAL 52 -4.834 3.938 2.668 411 HG13 VAL 52 3HG1 VAL 52 -5.795 5.205 3.431 412 HG21 VAL 52 3HG2 VAL 52 -5.516 7.574 2.762 413 HG22 VAL 52 1HG2 VAL 52 -4.376 8.018 1.492 414 HG23 VAL 52 2HG2 VAL 52 -3.782 7.535 3.081 415 H LEU 53 H LEU 53 -1.830 3.640 2.265 416 HA LEU 53 HA LEU 53 -2.421 1.677 0.206 417 HB2 LEU 53 2HB LEU 53 -0.179 1.764 1.148 418 HB3 LEU 53 3HB LEU 53 -0.815 1.534 2.766 419 HG LEU 53 HG LEU 53 -1.593 -0.745 2.079 420 HD11 LEU 53 1HD1 LEU 53 0.037 -0.222 -0.409 421 HD12 LEU 53 2HD1 LEU 53 -1.721 -0.351 -0.340 422 HD13 LEU 53 3HD1 LEU 53 -0.721 -1.749 0.050 423 HD21 LEU 53 3HD2 LEU 53 0.612 -1.776 2.171 424 HD22 LEU 53 1HD2 LEU 53 0.504 -0.423 3.296 425 HD23 LEU 53 2HD2 LEU 53 1.368 -0.234 1.770 426 H SER 54 H SER 54 -3.744 -0.116 0.443 427 HA SER 54 HA SER 54 -5.074 -0.515 3.048 428 HB2 SER 54 2HB SER 54 -6.570 0.812 1.559 429 HB3 SER 54 3HB SER 54 -6.536 -0.507 0.390 430 HG SER 54 HG SER 54 -7.952 -1.533 1.543 431 H VAL 55 H VAL 55 -4.904 -2.570 3.696 432 HA VAL 55 HA VAL 55 -4.611 -4.713 1.697 433 HB VAL 55 HB VAL 55 -2.349 -4.074 2.280 434 HG11 VAL 55 1HG1 VAL 55 -1.512 -4.178 4.581 435 HG12 VAL 55 2HG1 VAL 55 -3.141 -4.534 5.158 436 HG13 VAL 55 3HG1 VAL 55 -2.791 -2.977 4.407 437 HG21 VAL 55 3HG2 VAL 55 -3.110 -6.657 3.660 438 HG22 VAL 55 1HG2 VAL 55 -1.487 -6.204 3.142 439 HG23 VAL 55 2HG2 VAL 55 -2.753 -6.461 1.944 440 H TYR 56 H TYR 56 -5.190 -6.807 2.401 441 HA TYR 56 HA TYR 56 -6.864 -6.879 4.818 442 HB2 TYR 56 2HB TYR 56 -7.805 -7.552 2.573 443 HB3 TYR 56 3HB TYR 56 -6.705 -8.926 2.585 444 HD1 TYR 56 HD2 TYR 56 -6.984 -10.695 4.381 445 HD2 TYR 56 HD1 TYR 56 -9.852 -7.609 3.762 446 HE1 TYR 56 HE2 TYR 56 -8.649 -11.997 5.634 447 HE2 TYR 56 HE1 TYR 56 -11.524 -8.905 5.010 448 HH TYR 56 HH TYR 56 -11.958 -11.253 5.612 449 H SER 57 H SER 57 -5.800 -7.562 6.601 450 HA SER 57 HA SER 57 -4.245 -10.045 6.476 451 HB2 SER 57 2HB SER 57 -2.531 -8.345 6.231 452 HB3 SER 57 3HB SER 57 -3.165 -7.449 7.612 453 HG SER 57 HG SER 57 -2.230 -10.122 7.827 454 H ASP 58 H ASP 58 -4.338 -11.276 8.301 455 HA ASP 58 HA ASP 58 -5.188 -12.133 10.222 456 HB2 ASP 58 2HB ASP 58 -3.634 -10.226 11.033 457 HB3 ASP 58 3HB ASP 58 -5.118 -9.349 11.388 458 H GLY 59 H GLY 59 -7.084 -11.207 8.234 459 HA2 GLY 59 2HA GLY 59 -9.372 -11.063 8.002 460 HA3 GLY 59 3HA GLY 59 -9.508 -11.334 9.731 461 H GLN 60 H GLN 60 -7.645 -8.682 8.451 462 HA GLN 60 HA GLN 60 -9.753 -6.745 9.184 463 HB2 GLN 60 2HB GLN 60 -6.820 -6.566 9.942 464 HB3 GLN 60 3HB GLN 60 -8.048 -5.363 10.303 465 HG2 GLN 60 2HG GLN 60 -9.107 -6.758 11.879 466 HG3 GLN 60 3HG GLN 60 -8.238 -8.187 11.318 467 HE21 GLN 60 1HE2 GLN 60 -7.480 -8.633 13.396 468 HE22 GLN 60 2HE2 GLN 60 -6.227 -7.700 14.132 469 H ARG 61 H ARG 61 -9.893 -4.953 7.805 470 HA ARG 61 HA ARG 61 -7.941 -4.745 5.640 471 HB2 ARG 61 2HB ARG 61 -10.542 -3.345 6.227 472 HB3 ARG 61 3HB ARG 61 -9.421 -2.678 5.052 473 HG2 ARG 61 2HG ARG 61 -10.926 -3.900 3.770 474 HG3 ARG 61 3HG ARG 61 -9.530 -4.966 3.906 475 HD2 ARG 61 2HD ARG 61 -10.646 -6.263 5.624 476 HD3 ARG 61 3HD ARG 61 -12.005 -5.137 5.634 477 HE ARG 61 HE ARG 61 -11.342 -6.616 3.180 478 HH11 ARG 61 1HH1 ARG 61 -13.553 -5.939 5.741 479 HH12 ARG 61 2HH1 ARG 61 -14.877 -6.706 4.932 480 HH21 ARG 61 1HH2 ARG 61 -13.051 -7.616 2.172 481 HH22 ARG 61 2HH2 ARG 61 -14.591 -7.668 2.965 482 H ARG 62 H ARG 62 -6.052 -3.927 6.331 483 HA ARG 62 HA ARG 62 -5.934 -1.745 8.256 484 HB2 ARG 62 2HB ARG 62 -3.802 -3.346 6.826 485 HB3 ARG 62 3HB ARG 62 -3.437 -2.028 7.931 486 HG2 ARG 62 2HG ARG 62 -5.049 -4.445 8.732 487 HG3 ARG 62 3HG ARG 62 -3.293 -4.354 8.890 488 HD2 ARG 62 2HD ARG 62 -3.502 -2.424 10.365 489 HD3 ARG 62 3HD ARG 62 -5.254 -2.429 10.157 490 HE ARG 62 HE ARG 62 -5.036 -4.779 11.177 491 HH11 ARG 62 1HH1 ARG 62 -2.991 -2.140 12.023 492 HH12 ARG 62 2HH1 ARG 62 -2.809 -2.682 13.654 493 HH21 ARG 62 1HH2 ARG 62 -4.797 -5.436 13.270 494 HH22 ARG 62 2HH2 ARG 62 -3.795 -4.519 14.345 495 H HIS 63 H HIS 63 -5.580 0.370 7.776 496 HA HIS 63 HA HIS 63 -4.949 1.041 4.961 497 HB2 HIS 63 2HB HIS 63 -6.529 2.777 6.874 498 HB3 HIS 63 3HB HIS 63 -6.327 3.002 5.138 499 HD1 HIS 63 HD1 HIS 63 -7.279 0.590 3.822 500 HD2 HIS 63 HD2 HIS 63 -8.988 1.820 7.407 501 HE1 HIS 63 HE1 HIS 63 -9.555 -0.462 3.881 502 HE2 HIS 63 HE2 HIS 63 -10.516 0.189 6.111 503 H PHE 64 H PHE 64 -2.980 1.908 4.741 504 HA PHE 64 HA PHE 64 -1.746 3.297 7.041 505 HB2 PHE 64 2HB PHE 64 -0.375 1.904 4.722 506 HB3 PHE 64 3HB PHE 64 0.424 2.640 6.106 507 HD1 PHE 64 HD2 PHE 64 -0.138 1.672 8.428 508 HD2 PHE 64 HD1 PHE 64 -0.964 -0.351 4.771 509 HE1 PHE 64 HE2 PHE 64 -0.269 -0.464 9.640 510 HE2 PHE 64 HE1 PHE 64 -1.089 -2.489 5.979 511 HZ PHE 64 HZ PHE 64 -0.743 -2.547 8.415 512 H ILE 65 H ILE 65 -1.339 5.420 6.827 513 HA ILE 65 HA ILE 65 -1.640 6.711 4.223 514 HB ILE 65 HB ILE 65 -1.106 7.948 6.940 515 HG12 ILE 65 2HG1 ILE 65 -3.714 7.667 5.409 516 HG13 ILE 65 3HG1 ILE 65 -3.264 6.740 6.838 517 HG21 ILE 65 1HG2 ILE 65 -0.401 9.371 5.066 518 HG22 ILE 65 2HG2 ILE 65 -1.789 10.054 5.911 519 HG23 ILE 65 3HG2 ILE 65 -2.014 9.242 4.361 520 HD11 ILE 65 3HD1 ILE 65 -4.794 8.541 7.389 521 HD12 ILE 65 1HD1 ILE 65 -3.661 9.723 6.730 522 HD13 ILE 65 2HD1 ILE 65 -3.226 8.784 8.159 523 H ILE 66 H ILE 66 0.019 7.532 3.015 524 HA ILE 66 HA ILE 66 2.733 6.873 3.829 525 HB ILE 66 HB ILE 66 1.720 8.090 1.246 526 HG12 ILE 66 2HG1 ILE 66 2.477 5.237 1.947 527 HG13 ILE 66 3HG1 ILE 66 0.858 5.825 1.591 528 HG21 ILE 66 1HG2 ILE 66 3.904 7.546 0.322 529 HG22 ILE 66 2HG2 ILE 66 4.431 6.918 1.884 530 HG23 ILE 66 3HG2 ILE 66 4.076 8.635 1.700 531 HD11 ILE 66 3HD1 ILE 66 3.171 5.718 -0.331 532 HD12 ILE 66 1HD1 ILE 66 1.564 6.348 -0.693 533 HD13 ILE 66 2HD1 ILE 66 1.774 4.642 -0.300 534 H GLN 67 H GLN 67 3.901 8.282 5.005 535 HA GLN 67 HA GLN 67 3.423 11.150 4.810 536 HB2 GLN 67 2HB GLN 67 5.359 9.565 6.516 537 HB3 GLN 67 3HB GLN 67 5.201 11.314 6.569 538 HG2 GLN 67 2HG GLN 67 3.959 10.457 8.395 539 HG3 GLN 67 3HG GLN 67 2.788 10.993 7.191 540 HE21 GLN 67 1HE2 GLN 67 1.144 9.652 7.874 541 HE22 GLN 67 2HE2 GLN 67 1.201 7.936 7.683 542 H TYR 68 H TYR 68 4.362 12.309 3.269 543 HA TYR 68 HA TYR 68 6.717 11.393 1.869 544 HB2 TYR 68 2HB TYR 68 4.846 12.585 0.734 545 HB3 TYR 68 3HB TYR 68 5.238 14.033 1.650 546 HD1 TYR 68 HD1 TYR 68 7.140 11.551 -0.427 547 HD2 TYR 68 HD2 TYR 68 6.330 15.649 0.401 548 HE1 TYR 68 HE1 TYR 68 8.700 12.215 -2.204 549 HE2 TYR 68 HE2 TYR 68 7.893 16.320 -1.373 550 HH TYR 68 HH TYR 68 9.154 14.088 -3.653 551 H VAL 69 H VAL 69 8.538 11.447 3.093 552 HA VAL 69 HA VAL 69 9.248 13.992 4.433 553 HB VAL 69 HB VAL 69 9.815 11.189 5.444 554 HG11 VAL 69 1HG1 VAL 69 10.478 13.872 6.667 555 HG12 VAL 69 2HG1 VAL 69 11.629 12.712 6.007 556 HG13 VAL 69 3HG1 VAL 69 10.699 12.307 7.451 557 HG21 VAL 69 3HG2 VAL 69 7.945 13.311 6.520 558 HG22 VAL 69 1HG2 VAL 69 8.299 11.763 7.291 559 HG23 VAL 69 2HG2 VAL 69 7.470 11.804 5.737 560 H ASP 70 H ASP 70 11.110 14.863 3.751 561 HA ASP 70 HA ASP 70 13.084 15.169 2.661 562 HB2 ASP 70 2HB ASP 70 13.590 12.505 3.990 563 HB3 ASP 70 3HB ASP 70 14.845 13.398 3.137 564 H ASN 71 H ASN 71 11.188 14.430 0.897 565 HA ASN 71 HA ASN 71 10.865 13.709 -1.231 566 HB2 ASN 71 2HB ASN 71 13.862 13.295 -1.123 567 HB3 ASN 71 3HB ASN 71 12.904 13.167 -2.595 568 HD21 ASN 71 1HD2 ASN 71 15.056 15.043 -1.803 569 HD22 ASN 71 2HD2 ASN 71 14.379 16.616 -2.024 570 H MET 72 H MET 72 11.125 11.705 1.153 571 HA MET 72 HA MET 72 11.113 9.265 -0.515 572 HB2 MET 72 2HB MET 72 11.906 9.532 2.397 573 HB3 MET 72 3HB MET 72 11.823 8.021 1.504 574 HG2 MET 72 2HG MET 72 13.600 8.779 0.024 575 HG3 MET 72 3HG MET 72 13.672 10.318 0.881 576 HE1 MET 72 3HE MET 72 14.967 9.234 4.413 577 HE2 MET 72 1HE MET 72 13.282 9.386 3.919 578 HE3 MET 72 2HE MET 72 14.465 10.581 3.390 579 H TYR 73 H TYR 73 9.290 8.106 -0.531 580 HA TYR 73 HA TYR 73 7.037 8.784 1.158 581 HB2 TYR 73 2HB TYR 73 7.356 6.585 -0.912 582 HB3 TYR 73 3HB TYR 73 5.843 7.055 -0.145 583 HD1 TYR 73 HD2 TYR 73 4.997 9.448 -0.546 584 HD2 TYR 73 HD1 TYR 73 8.077 7.655 -2.882 585 HE1 TYR 73 HE2 TYR 73 4.600 11.094 -2.328 586 HE2 TYR 73 HE1 TYR 73 7.681 9.292 -4.673 587 HH TYR 73 HH TYR 73 5.771 10.761 -5.446 588 H ARG 74 H ARG 74 6.709 7.893 3.119 589 HA ARG 74 HA ARG 74 7.698 5.166 3.645 590 HB2 ARG 74 2HB ARG 74 8.453 5.930 5.907 591 HB3 ARG 74 3HB ARG 74 9.382 6.610 4.577 592 HG2 ARG 74 2HG ARG 74 7.954 8.670 4.753 593 HG3 ARG 74 3HG ARG 74 7.266 7.984 6.225 594 HD2 ARG 74 2HD ARG 74 10.213 8.475 5.801 595 HD3 ARG 74 3HD ARG 74 9.131 9.620 6.588 596 HE ARG 74 HE ARG 74 8.856 7.215 7.935 597 HH11 ARG 74 1HH1 ARG 74 11.350 9.503 7.304 598 HH12 ARG 74 2HH1 ARG 74 12.173 9.182 8.789 599 HH21 ARG 74 1HH2 ARG 74 9.914 6.825 9.843 600 HH22 ARG 74 2HH2 ARG 74 11.378 7.672 10.204 601 H PHE 75 H PHE 75 6.430 3.911 4.965 602 HA PHE 75 HA PHE 75 3.802 4.927 5.720 603 HB2 PHE 75 2HB PHE 75 5.009 2.162 6.004 604 HB3 PHE 75 3HB PHE 75 3.343 2.578 6.379 605 HD1 PHE 75 HD1 PHE 75 1.938 3.583 4.441 606 HD2 PHE 75 HD2 PHE 75 5.560 1.407 3.881 607 HE1 PHE 75 HE1 PHE 75 1.277 3.074 2.129 608 HE2 PHE 75 HE2 PHE 75 4.903 0.907 1.566 609 HZ PHE 75 HZ PHE 75 2.759 1.738 0.688 610 H GLU 76 H GLU 76 6.827 4.140 7.220 611 HA GLU 76 HA GLU 76 5.983 5.276 9.733 612 HB2 GLU 76 2HB GLU 76 5.225 2.939 9.976 613 HB3 GLU 76 3HB GLU 76 6.856 2.374 9.634 614 HG2 GLU 76 2HG GLU 76 7.670 3.445 11.666 615 HG3 GLU 76 3HG GLU 76 6.051 4.063 12.003 616 H GLY 77 H GLY 77 8.597 2.952 8.981 617 HA2 GLY 77 2HA GLY 77 10.542 5.038 9.765 618 HA3 GLY 77 3HA GLY 77 10.821 3.308 9.861 619 H THR 78 H THR 78 11.052 2.131 7.813 620 HA THR 78 HA THR 78 12.838 3.428 6.031 621 HB THR 78 HB THR 78 13.050 1.048 6.410 622 HG1 THR 78 HG1 THR 78 13.845 1.167 4.451 623 HG21 THR 78 3HG2 THR 78 10.684 0.504 6.771 624 HG22 THR 78 1HG2 THR 78 11.408 -0.562 5.565 625 HG23 THR 78 2HG2 THR 78 10.362 0.762 5.057 626 H GLY 79 H GLY 79 12.614 4.026 3.871 627 HA2 GLY 79 2HA GLY 79 10.039 3.941 2.546 628 HA3 GLY 79 3HA GLY 79 10.505 5.543 3.095 629 H PHE 80 H PHE 80 10.051 4.954 0.408 630 HA PHE 80 HA PHE 80 12.770 5.131 -0.741 631 HB2 PHE 80 2HB PHE 80 10.379 3.604 -1.766 632 HB3 PHE 80 3HB PHE 80 11.693 4.080 -2.835 633 HD1 PHE 80 HD1 PHE 80 10.868 2.077 0.167 634 HD2 PHE 80 HD2 PHE 80 13.715 2.881 -2.895 635 HE1 PHE 80 HE1 PHE 80 12.138 0.078 0.823 636 HE2 PHE 80 HE2 PHE 80 14.989 0.882 -2.241 637 HZ PHE 80 HZ PHE 80 14.198 -0.522 -0.380 638 H SER 81 H SER 81 13.018 6.402 -2.634 639 HA SER 81 HA SER 81 11.579 8.839 -2.660 640 HB2 SER 81 2HB SER 81 13.860 8.815 -3.429 641 HB3 SER 81 3HB SER 81 13.484 7.632 -4.681 642 HG SER 81 HG SER 81 13.619 10.017 -5.226 643 H ASN 82 H ASN 82 11.088 5.845 -4.344 644 HA ASN 82 HA ASN 82 8.948 7.080 -5.968 645 HB2 ASN 82 2HB ASN 82 10.582 4.590 -6.514 646 HB3 ASN 82 3HB ASN 82 9.225 5.135 -7.496 647 HD21 ASN 82 1HD2 ASN 82 12.487 5.843 -6.491 648 HD22 ASN 82 2HD2 ASN 82 12.833 6.964 -7.758 649 H ILE 83 H ILE 83 6.898 6.441 -5.622 650 HA ILE 83 HA ILE 83 6.100 4.785 -3.529 651 HB ILE 83 HB ILE 83 4.560 5.511 -6.033 652 HG12 ILE 83 2HG1 ILE 83 4.557 6.737 -3.255 653 HG13 ILE 83 3HG1 ILE 83 5.302 7.440 -4.686 654 HG21 ILE 83 1HG2 ILE 83 2.529 4.958 -4.771 655 HG22 ILE 83 2HG2 ILE 83 3.519 4.381 -3.427 656 HG23 ILE 83 3HG2 ILE 83 3.567 3.546 -4.981 657 HD11 ILE 83 3HD1 ILE 83 3.097 7.630 -5.732 658 HD12 ILE 83 1HD1 ILE 83 3.184 8.501 -4.201 659 HD13 ILE 83 2HD1 ILE 83 2.358 6.945 -4.284 660 HA PRO 84 HA PRO 84 5.433 1.201 -6.862 661 HB2 PRO 84 2HB PRO 84 7.363 1.328 -8.864 662 HB3 PRO 84 3HB PRO 84 5.667 1.781 -9.049 663 HG2 PRO 84 2HG PRO 84 8.049 3.520 -8.532 664 HG3 PRO 84 3HG PRO 84 6.653 3.811 -9.590 665 HD2 PRO 84 2HD PRO 84 6.844 5.001 -7.200 666 HD3 PRO 84 3HD PRO 84 5.277 4.427 -7.814 667 H GLN 85 H GLN 85 8.667 2.600 -6.298 668 HA GLN 85 HA GLN 85 9.949 0.049 -6.016 669 HB2 GLN 85 2HB GLN 85 10.810 2.883 -5.505 670 HB3 GLN 85 3HB GLN 85 11.815 1.538 -4.978 671 HG2 GLN 85 2HG GLN 85 10.916 2.063 -7.812 672 HG3 GLN 85 3HG GLN 85 12.521 2.391 -7.154 673 HE21 GLN 85 1HE2 GLN 85 10.298 -0.096 -8.169 674 HE22 GLN 85 2HE2 GLN 85 11.445 -1.387 -8.196 675 H LEU 86 H LEU 86 8.558 2.365 -3.744 676 HA LEU 86 HA LEU 86 9.389 1.196 -1.340 677 HB2 LEU 86 2HB LEU 86 8.237 3.359 -1.490 678 HB3 LEU 86 3HB LEU 86 6.767 2.556 -2.004 679 HG LEU 86 HG LEU 86 6.585 1.464 0.196 680 HD11 LEU 86 1HD1 LEU 86 8.955 1.343 0.768 681 HD12 LEU 86 2HD1 LEU 86 8.040 2.152 2.041 682 HD13 LEU 86 3HD1 LEU 86 9.020 3.100 0.920 683 HD21 LEU 86 3HD2 LEU 86 5.461 3.598 -0.186 684 HD22 LEU 86 1HD2 LEU 86 6.903 4.466 0.343 685 HD23 LEU 86 2HD2 LEU 86 6.007 3.465 1.484 686 H ILE 87 H ILE 87 6.345 0.643 -3.120 687 HA ILE 87 HA ILE 87 5.443 -1.553 -1.610 688 HB ILE 87 HB ILE 87 4.861 -0.900 -4.511 689 HG12 ILE 87 2HG1 ILE 87 4.295 0.966 -3.025 690 HG13 ILE 87 3HG1 ILE 87 2.832 0.209 -3.643 691 HG21 ILE 87 1HG2 ILE 87 3.340 -2.654 -2.581 692 HG22 ILE 87 2HG2 ILE 87 4.248 -3.194 -3.994 693 HG23 ILE 87 3HG2 ILE 87 2.802 -2.205 -4.200 694 HD11 ILE 87 3HD1 ILE 87 4.011 -0.201 -0.904 695 HD12 ILE 87 1HD1 ILE 87 2.551 -0.973 -1.522 696 HD13 ILE 87 2HD1 ILE 87 2.599 0.776 -1.302 697 H ASP 88 H ASP 88 7.177 -1.483 -4.727 698 HA ASP 88 HA ASP 88 7.371 -4.195 -5.235 699 HB2 ASP 88 2HB ASP 88 7.981 -2.589 -6.909 700 HB3 ASP 88 3HB ASP 88 9.255 -1.923 -5.895 701 H HIS 89 H HIS 89 9.780 -2.191 -3.501 702 HA HIS 89 HA HIS 89 11.589 -4.320 -3.104 703 HB2 HIS 89 2HB HIS 89 12.120 -1.852 -3.014 704 HB3 HIS 89 3HB HIS 89 11.408 -1.830 -1.402 705 HD1 HIS 89 HD1 HIS 89 14.395 -3.100 -3.291 706 HD2 HIS 89 HD2 HIS 89 12.987 -2.942 0.614 707 HE1 HIS 89 HE1 HIS 89 16.341 -3.748 -1.846 708 HE2 HIS 89 HE2 HIS 89 15.517 -3.442 0.509 709 H HIS 90 H HIS 90 8.875 -3.172 -1.125 710 HA HIS 90 HA HIS 90 9.531 -4.929 1.076 711 HB2 HIS 90 2HB HIS 90 7.115 -3.261 0.406 712 HB3 HIS 90 3HB HIS 90 7.066 -4.428 1.725 713 HD1 HIS 90 HD1 HIS 90 7.847 -3.611 3.926 714 HD2 HIS 90 HD2 HIS 90 9.313 -1.283 0.804 715 HE1 HIS 90 HE1 HIS 90 9.076 -1.718 5.016 716 HE2 HIS 90 HE2 HIS 90 10.176 -0.501 3.114 717 H TYR 91 H TYR 91 7.541 -5.149 -1.800 718 HA TYR 91 HA TYR 91 6.180 -7.560 -1.189 719 HB2 TYR 91 2HB TYR 91 5.584 -5.907 -2.992 720 HB3 TYR 91 3HB TYR 91 6.958 -6.495 -3.919 721 HD1 TYR 91 HD2 TYR 91 6.942 -8.894 -4.737 722 HD2 TYR 91 HD1 TYR 91 3.511 -7.048 -3.012 723 HE1 TYR 91 HE2 TYR 91 5.510 -10.619 -5.747 724 HE2 TYR 91 HE1 TYR 91 2.074 -8.765 -4.022 725 HH TYR 91 HH TYR 91 3.151 -11.626 -5.170 726 H THR 92 H THR 92 9.225 -6.882 -2.871 727 HA THR 92 HA THR 92 9.825 -9.568 -3.592 728 HB THR 92 HB THR 92 12.119 -8.747 -4.023 729 HG1 THR 92 HG1 THR 92 12.747 -6.746 -3.376 730 HG21 THR 92 3HG2 THR 92 11.556 -7.033 -5.707 731 HG22 THR 92 1HG2 THR 92 9.955 -6.864 -4.989 732 HG23 THR 92 2HG2 THR 92 10.424 -8.386 -5.749 733 H THR 93 H THR 93 11.224 -7.468 -1.054 734 HA THR 93 HA THR 93 12.718 -9.557 0.176 735 HB THR 93 HB THR 93 13.067 -7.997 2.052 736 HG1 THR 93 HG1 THR 93 11.799 -5.858 0.910 737 HG21 THR 93 3HG2 THR 93 13.286 -6.632 -0.638 738 HG22 THR 93 1HG2 THR 93 14.449 -7.787 0.019 739 HG23 THR 93 2HG2 THR 93 14.206 -6.231 0.812 740 H LYS 94 H LYS 94 9.411 -8.649 0.413 741 HA LYS 94 HA LYS 94 7.646 -9.455 1.603 742 HB2 LYS 94 2HB LYS 94 8.918 -11.656 1.149 743 HB3 LYS 94 3HB LYS 94 9.480 -11.536 2.809 744 HG2 LYS 94 2HG LYS 94 7.605 -13.014 2.731 745 HG3 LYS 94 3HG LYS 94 7.111 -11.536 3.560 746 HD2 LYS 94 2HD LYS 94 5.970 -10.750 1.574 747 HD3 LYS 94 3HD LYS 94 6.585 -12.114 0.637 748 HE2 LYS 94 2HE LYS 94 4.739 -12.339 3.020 749 HE3 LYS 94 3HE LYS 94 4.227 -12.402 1.334 750 HZ1 LYS 94 3HZ LYS 94 6.097 -14.312 2.634 751 HZ2 LYS 94 1HZ LYS 94 5.578 -14.373 1.023 752 HZ3 LYS 94 2HZ LYS 94 4.472 -14.612 2.277 753 H GLN 95 H GLN 95 9.288 -7.375 2.602 754 HA GLN 95 HA GLN 95 9.555 -7.795 5.493 755 HB2 GLN 95 2HB GLN 95 11.311 -6.710 3.876 756 HB3 GLN 95 3HB GLN 95 10.321 -5.271 4.036 757 HG2 GLN 95 2HG GLN 95 11.308 -6.676 6.484 758 HG3 GLN 95 3HG GLN 95 12.397 -5.641 5.567 759 HE21 GLN 95 1HE2 GLN 95 11.974 -3.428 5.469 760 HE22 GLN 95 2HE2 GLN 95 10.950 -2.648 6.619 761 H VAL 96 H VAL 96 8.580 -6.361 7.038 762 HA VAL 96 HA VAL 96 5.821 -6.092 6.546 763 HB VAL 96 HB VAL 96 5.562 -5.417 8.782 764 HG11 VAL 96 1HG1 VAL 96 8.074 -7.092 8.680 765 HG12 VAL 96 2HG1 VAL 96 6.418 -7.691 8.561 766 HG13 VAL 96 3HG1 VAL 96 6.981 -6.948 10.059 767 HG21 VAL 96 3HG2 VAL 96 7.038 -3.477 8.798 768 HG22 VAL 96 1HG2 VAL 96 8.453 -4.529 8.790 769 HG23 VAL 96 2HG2 VAL 96 7.374 -4.513 10.183 770 H ILE 97 H ILE 97 4.543 -4.113 7.154 771 HA ILE 97 HA ILE 97 5.514 -1.772 5.689 772 HB ILE 97 HB ILE 97 2.758 -2.423 6.774 773 HG12 ILE 97 2HG1 ILE 97 3.419 -3.870 4.916 774 HG13 ILE 97 3HG1 ILE 97 2.172 -2.744 4.392 775 HG21 ILE 97 1HG2 ILE 97 3.123 -0.007 6.696 776 HG22 ILE 97 2HG2 ILE 97 1.959 -0.514 5.475 777 HG23 ILE 97 3HG2 ILE 97 3.615 -0.127 5.008 778 HD11 ILE 97 3HD1 ILE 97 3.866 -1.365 3.306 779 HD12 ILE 97 1HD1 ILE 97 3.900 -3.022 2.709 780 HD13 ILE 97 2HD1 ILE 97 5.124 -2.475 3.852 781 H THR 98 H THR 98 3.581 -2.137 8.695 782 HA THR 98 HA THR 98 5.346 -0.163 10.018 783 HB THR 98 HB THR 98 3.432 0.718 11.274 784 HG1 THR 98 HG1 THR 98 1.321 0.036 10.768 785 HG21 THR 98 3HG2 THR 98 4.004 1.836 9.166 786 HG22 THR 98 1HG2 THR 98 2.269 1.905 9.471 787 HG23 THR 98 2HG2 THR 98 2.911 0.762 8.294 788 H LYS 99 H LYS 99 5.833 -0.554 12.195 789 HA LYS 99 HA LYS 99 5.652 -3.275 13.054 790 HB2 LYS 99 2HB LYS 99 6.797 -0.764 14.205 791 HB3 LYS 99 3HB LYS 99 6.570 -2.147 15.265 792 HG2 LYS 99 2HG LYS 99 8.841 -2.018 14.329 793 HG3 LYS 99 3HG LYS 99 8.007 -3.510 13.894 794 HD2 LYS 99 2HD LYS 99 7.447 -2.486 11.690 795 HD3 LYS 99 3HD LYS 99 8.413 -1.080 12.141 796 HE2 LYS 99 2HE LYS 99 9.655 -2.658 10.712 797 HE3 LYS 99 3HE LYS 99 10.404 -2.451 12.296 798 HZ1 LYS 99 3HZ LYS 99 8.586 -4.697 11.628 799 HZ2 LYS 99 1HZ LYS 99 9.560 -4.538 12.998 800 HZ3 LYS 99 2HZ LYS 99 10.266 -4.788 11.484 801 H LYS 100 H LYS 100 3.557 -0.597 13.433 802 HA LYS 100 HA LYS 100 2.304 -1.419 15.876 803 HB2 LYS 100 2HB LYS 100 1.310 0.429 13.693 804 HB3 LYS 100 3HB LYS 100 0.566 0.240 15.275 805 HG2 LYS 100 2HG LYS 100 3.352 1.271 14.756 806 HG3 LYS 100 3HG LYS 100 1.943 2.256 15.148 807 HD2 LYS 100 2HD LYS 100 1.755 1.120 17.319 808 HD3 LYS 100 3HD LYS 100 3.165 0.136 16.927 809 HE2 LYS 100 2HE LYS 100 4.544 2.160 16.807 810 HE3 LYS 100 3HE LYS 100 3.131 3.146 17.189 811 HZ1 LYS 100 3HZ LYS 100 4.300 1.068 18.957 812 HZ2 LYS 100 1HZ LYS 100 2.981 2.060 19.326 813 HZ3 LYS 100 2HZ LYS 100 4.519 2.735 19.134 814 H SER 101 H SER 101 2.032 -2.480 12.610 815 HA SER 101 HA SER 101 -0.378 -4.044 13.334 816 HB2 SER 101 2HB SER 101 0.378 -3.151 10.535 817 HB3 SER 101 3HB SER 101 -1.055 -4.060 10.988 818 HG SER 101 HG SER 101 -0.422 -1.360 11.530 819 H GLY 102 H GLY 102 2.610 -4.066 11.396 820 HA2 GLY 102 2HA GLY 102 4.122 -5.798 11.069 821 HA3 GLY 102 3HA GLY 102 3.083 -6.849 12.017 822 H VAL 103 H VAL 103 1.944 -5.037 9.237 823 HA VAL 103 HA VAL 103 1.136 -7.531 7.971 824 HB VAL 103 HB VAL 103 0.554 -4.674 7.141 825 HG11 VAL 103 1HG1 VAL 103 0.351 -6.184 5.259 826 HG12 VAL 103 2HG1 VAL 103 -1.255 -5.686 5.791 827 HG13 VAL 103 3HG1 VAL 103 -0.645 -7.288 6.208 828 HG21 VAL 103 3HG2 VAL 103 -0.397 -5.174 9.336 829 HG22 VAL 103 1HG2 VAL 103 -1.161 -6.628 8.690 830 HG23 VAL 103 2HG2 VAL 103 -1.669 -5.035 8.124 831 H VAL 104 H VAL 104 1.759 -8.228 5.954 832 HA VAL 104 HA VAL 104 4.014 -6.820 4.658 833 HB VAL 104 HB VAL 104 3.510 -9.810 4.705 834 HG11 VAL 104 1HG1 VAL 104 5.841 -8.220 3.627 835 HG12 VAL 104 2HG1 VAL 104 4.633 -9.079 2.672 836 HG13 VAL 104 3HG1 VAL 104 5.746 -9.979 3.704 837 HG21 VAL 104 3HG2 VAL 104 5.475 -9.957 6.167 838 HG22 VAL 104 1HG2 VAL 104 4.191 -9.004 6.912 839 HG23 VAL 104 2HG2 VAL 104 5.586 -8.196 6.199 840 H LEU 105 H LEU 105 4.133 -7.034 2.300 841 HA LEU 105 HA LEU 105 1.449 -7.052 1.123 842 HB2 LEU 105 2HB LEU 105 4.060 -6.040 -0.015 843 HB3 LEU 105 3HB LEU 105 2.482 -5.858 -0.759 844 HG LEU 105 HG LEU 105 3.378 -4.606 1.845 845 HD11 LEU 105 1HD1 LEU 105 2.791 -3.384 -0.852 846 HD12 LEU 105 2HD1 LEU 105 4.381 -3.562 -0.109 847 HD13 LEU 105 3HD1 LEU 105 3.182 -2.496 0.622 848 HD21 LEU 105 3HD2 LEU 105 1.005 -5.197 1.917 849 HD22 LEU 105 1HD2 LEU 105 0.740 -4.355 0.388 850 HD23 LEU 105 2HD2 LEU 105 1.223 -3.451 1.823 851 H LEU 106 H LEU 106 0.766 -8.817 0.115 852 HA LEU 106 HA LEU 106 2.510 -10.105 -1.845 853 HB2 LEU 106 2HB LEU 106 1.768 -12.368 -1.175 854 HB3 LEU 106 3HB LEU 106 2.766 -11.585 0.033 855 HG LEU 106 HG LEU 106 -0.247 -11.629 0.237 856 HD11 LEU 106 1HD1 LEU 106 0.540 -13.945 0.123 857 HD12 LEU 106 2HD1 LEU 106 -0.037 -13.539 1.739 858 HD13 LEU 106 3HD1 LEU 106 1.696 -13.618 1.417 859 HD21 LEU 106 3HD2 LEU 106 0.917 -9.971 1.618 860 HD22 LEU 106 1HD2 LEU 106 1.922 -11.249 2.308 861 HD23 LEU 106 2HD2 LEU 106 0.184 -11.233 2.608 862 H ASN 107 H ASN 107 1.345 -11.267 -3.501 863 HA ASN 107 HA ASN 107 -0.151 -11.090 -5.211 864 HB2 ASN 107 2HB ASN 107 -2.413 -12.064 -4.609 865 HB3 ASN 107 3HB ASN 107 -1.005 -13.044 -4.229 866 HD21 ASN 107 1HD2 ASN 107 -3.500 -10.989 -2.879 867 HD22 ASN 107 2HD2 ASN 107 -3.373 -11.585 -1.267 868 HA PRO 108 HA PRO 108 -1.978 -6.953 -4.509 869 HB2 PRO 108 2HB PRO 108 -1.183 -5.856 -6.837 870 HB3 PRO 108 3HB PRO 108 -0.078 -6.044 -5.470 871 HG2 PRO 108 2HG PRO 108 -0.361 -7.744 -7.924 872 HG3 PRO 108 3HG PRO 108 1.116 -7.177 -7.120 873 HD2 PRO 108 2HD PRO 108 0.064 -9.690 -6.778 874 HD3 PRO 108 3HD PRO 108 1.058 -8.866 -5.560 875 H ILE 109 H ILE 109 -3.931 -6.126 -5.234 876 HA ILE 109 HA ILE 109 -5.474 -7.772 -7.072 877 HB ILE 109 HB ILE 109 -6.296 -5.289 -5.539 878 HG12 ILE 109 2HG1 ILE 109 -5.681 -7.138 -4.045 879 HG13 ILE 109 3HG1 ILE 109 -7.420 -6.868 -4.008 880 HG21 ILE 109 1HG2 ILE 109 -7.964 -7.313 -7.049 881 HG22 ILE 109 2HG2 ILE 109 -7.710 -5.623 -7.484 882 HG23 ILE 109 3HG2 ILE 109 -8.606 -6.031 -6.020 883 HD11 ILE 109 3HD1 ILE 109 -5.999 -9.047 -5.523 884 HD12 ILE 109 1HD1 ILE 109 -7.742 -8.776 -5.502 885 HD13 ILE 109 2HD1 ILE 109 -6.903 -9.231 -4.021 886 HA PRO 110 HA PRO 110 -4.395 -4.999 -10.433 887 HB2 PRO 110 2HB PRO 110 -5.485 -6.384 -12.448 888 HB3 PRO 110 3HB PRO 110 -4.076 -6.993 -11.571 889 HG2 PRO 110 2HG PRO 110 -6.965 -7.738 -11.254 890 HG3 PRO 110 3HG PRO 110 -5.542 -8.793 -11.321 891 HD2 PRO 110 2HD PRO 110 -6.756 -8.012 -8.980 892 HD3 PRO 110 3HD PRO 110 -5.043 -8.465 -9.100 893 H LYS 111 H LYS 111 -5.482 -3.863 -12.267 894 HA LYS 111 HA LYS 111 -8.385 -3.632 -12.117 895 HB2 LYS 111 2HB LYS 111 -7.963 -1.021 -12.432 896 HB3 LYS 111 3HB LYS 111 -8.129 -1.753 -10.848 897 HG2 LYS 111 2HG LYS 111 -6.318 -0.215 -10.761 898 HG3 LYS 111 3HG LYS 111 -5.652 -1.841 -10.679 899 HD2 LYS 111 2HD LYS 111 -4.228 -0.606 -12.116 900 HD3 LYS 111 3HD LYS 111 -5.183 -1.649 -13.163 901 HE2 LYS 111 2HE LYS 111 -5.868 1.237 -12.611 902 HE3 LYS 111 3HE LYS 111 -4.868 0.720 -13.964 903 HZ1 LYS 111 3HZ LYS 111 -7.709 0.017 -13.487 904 HZ2 LYS 111 1HZ LYS 111 -6.759 -0.661 -14.710 905 HZ3 LYS 111 2HZ LYS 111 -7.094 0.996 -14.717 906 H ASP 112 H ASP 112 -9.265 -3.725 -14.070 907 HA ASP 112 HA ASP 112 -7.637 -3.699 -16.437 908 HB2 ASP 112 2HB ASP 112 -9.776 -4.157 -17.605 909 HB3 ASP 112 3HB ASP 112 -9.511 -5.242 -16.242 910 H LYS 113 H LYS 113 -9.421 -2.478 -18.315 911 HA LYS 113 HA LYS 113 -8.679 0.314 -17.822 912 HB2 LYS 113 2HB LYS 113 -9.689 -0.951 -20.379 913 HB3 LYS 113 3HB LYS 113 -9.052 0.677 -20.208 914 HG2 LYS 113 2HG LYS 113 -7.249 -0.435 -21.097 915 HG3 LYS 113 3HG LYS 113 -6.897 -0.537 -19.372 916 HD2 LYS 113 2HD LYS 113 -7.829 -2.803 -19.307 917 HD3 LYS 113 3HD LYS 113 -8.225 -2.697 -21.023 918 HE2 LYS 113 2HE LYS 113 -5.770 -2.349 -21.465 919 HE3 LYS 113 3HE LYS 113 -5.482 -2.727 -19.766 920 HZ1 LYS 113 3HZ LYS 113 -6.540 -4.890 -20.134 921 HZ2 LYS 113 1HZ LYS 113 -5.186 -4.681 -21.126 922 HZ3 LYS 113 2HZ LYS 113 -6.739 -4.524 -21.773 923 H LYS 114 H LYS 114 -11.516 -1.637 -17.831 924 HA LYS 114 HA LYS 114 -13.315 0.485 -18.640 925 HB2 LYS 114 2HB LYS 114 -13.976 -2.237 -17.488 926 HB3 LYS 114 3HB LYS 114 -15.094 -1.145 -18.299 927 HG2 LYS 114 2HG LYS 114 -13.860 -1.405 -20.387 928 HG3 LYS 114 3HG LYS 114 -12.695 -2.454 -19.579 929 HD2 LYS 114 2HD LYS 114 -14.258 -3.827 -20.790 930 HD3 LYS 114 3HD LYS 114 -14.547 -4.032 -19.062 931 HE2 LYS 114 2HE LYS 114 -16.660 -3.839 -20.238 932 HE3 LYS 114 3HE LYS 114 -16.417 -2.433 -19.203 933 HZ1 LYS 114 3HZ LYS 114 -17.264 -1.886 -21.440 934 HZ2 LYS 114 1HZ LYS 114 -15.835 -2.482 -22.114 935 HZ3 LYS 114 2HZ LYS 114 -15.792 -1.131 -21.099 936 H TRP 115 H TRP 115 -12.839 2.063 -17.053 937 HA TRP 115 HA TRP 115 -13.517 1.553 -14.268 938 HB2 TRP 115 2HB TRP 115 -12.873 3.909 -13.919 939 HB3 TRP 115 3HB TRP 115 -11.632 3.034 -14.811 940 HD1 TRP 115 HD1 TRP 115 -11.366 3.636 -17.448 941 HE1 TRP 115 HE1 TRP 115 -11.974 5.759 -18.766 942 HE3 TRP 115 HE3 TRP 115 -14.518 5.830 -14.066 943 HZ2 TRP 115 HZ2 TRP 115 -13.559 8.057 -18.418 944 HZ3 TRP 115 HZ3 TRP 115 -15.533 7.995 -14.638 945 HH2 TRP 115 HH2 TRP 115 -15.064 9.086 -16.770 946 H ILE 116 H ILE 116 -15.310 2.086 -16.945 947 HA ILE 116 HA ILE 116 -17.034 4.176 -16.366 948 HB ILE 116 HB ILE 116 -18.734 2.759 -17.813 949 HG12 ILE 116 2HG1 ILE 116 -17.475 1.294 -19.427 950 HG13 ILE 116 3HG1 ILE 116 -16.093 1.357 -18.350 951 HG21 ILE 116 1HG2 ILE 116 -16.179 3.935 -18.906 952 HG22 ILE 116 2HG2 ILE 116 -17.652 4.820 -18.504 953 HG23 ILE 116 3HG2 ILE 116 -17.660 3.651 -19.824 954 HD11 ILE 116 3HD1 ILE 116 -17.370 0.214 -16.630 955 HD12 ILE 116 1HD1 ILE 116 -17.347 -0.714 -18.129 956 HD13 ILE 116 2HD1 ILE 116 -18.787 0.200 -17.681 Start of MODEL 10 1 H1 MET 1 1H MET 1 7.448 -19.613 -30.168 2 H2 MET 1 2H MET 1 8.719 -18.511 -30.339 3 H3 MET 1 3H MET 1 7.396 -18.440 -31.388 4 HA MET 1 HA MET 1 7.294 -16.682 -29.747 5 HB2 MET 1 2HB MET 1 5.198 -18.840 -29.402 6 HB3 MET 1 3HB MET 1 5.010 -17.168 -28.882 7 HG2 MET 1 2HG MET 1 5.356 -18.141 -31.712 8 HG3 MET 1 3HG MET 1 3.877 -17.518 -30.980 9 HE1 MET 1 3HE MET 1 5.041 -16.414 -33.733 10 HE2 MET 1 1HE MET 1 4.827 -14.679 -33.500 11 HE3 MET 1 2HE MET 1 3.571 -15.800 -32.974 12 H GLY 2 H GLY 2 6.612 -19.775 -28.046 13 HA2 GLY 2 2HA GLY 2 7.306 -20.566 -26.017 14 HA3 GLY 2 3HA GLY 2 8.734 -19.574 -26.237 15 H HIS 3 H HIS 3 8.833 -19.165 -24.017 16 HA HIS 3 HA HIS 3 6.588 -18.000 -22.603 17 HB2 HIS 3 2HB HIS 3 9.445 -18.473 -21.703 18 HB3 HIS 3 3HB HIS 3 8.099 -18.038 -20.655 19 HD1 HIS 3 HD1 HIS 3 6.743 -19.930 -19.727 20 HD2 HIS 3 HD2 HIS 3 9.176 -21.119 -22.878 21 HE1 HIS 3 HE1 HIS 3 6.556 -22.432 -19.814 22 HE2 HIS 3 HE2 HIS 3 8.053 -23.132 -21.709 23 H HIS 4 H HIS 4 7.363 -16.370 -24.746 24 HA HIS 4 HA HIS 4 9.171 -14.329 -24.240 25 HB2 HIS 4 2HB HIS 4 7.863 -13.006 -25.883 26 HB3 HIS 4 3HB HIS 4 8.180 -14.648 -26.429 27 HD1 HIS 4 HD1 HIS 4 6.107 -16.331 -26.308 28 HD2 HIS 4 HD2 HIS 4 5.198 -12.313 -25.763 29 HE1 HIS 4 HE1 HIS 4 3.630 -16.148 -26.648 30 HE2 HIS 4 HE2 HIS 4 3.113 -13.705 -26.394 31 H HIS 5 H HIS 5 9.138 -12.414 -23.143 32 HA HIS 5 HA HIS 5 6.916 -12.058 -21.237 33 HB2 HIS 5 2HB HIS 5 9.716 -10.912 -21.092 34 HB3 HIS 5 3HB HIS 5 8.505 -10.916 -19.811 35 HD1 HIS 5 HD1 HIS 5 11.113 -13.011 -21.404 36 HD2 HIS 5 HD2 HIS 5 8.127 -13.442 -18.552 37 HE1 HIS 5 HE1 HIS 5 11.612 -15.171 -20.236 38 HE2 HIS 5 HE2 HIS 5 9.883 -15.337 -18.422 39 H HIS 6 H HIS 6 6.389 -9.807 -20.586 40 HA HIS 6 HA HIS 6 6.212 -8.021 -22.878 41 HB2 HIS 6 2HB HIS 6 5.106 -7.818 -20.065 42 HB3 HIS 6 3HB HIS 6 4.849 -6.600 -21.312 43 HD1 HIS 6 HD1 HIS 6 3.080 -9.214 -19.820 44 HD2 HIS 6 HD2 HIS 6 3.716 -8.110 -23.774 45 HE1 HIS 6 HE1 HIS 6 1.213 -10.271 -21.118 46 HE2 HIS 6 HE2 HIS 6 1.506 -9.413 -23.465 47 H HIS 7 H HIS 7 7.897 -8.162 -19.774 48 HA HIS 7 HA HIS 7 9.893 -6.339 -20.671 49 HB2 HIS 7 2HB HIS 7 9.551 -4.557 -18.996 50 HB3 HIS 7 3HB HIS 7 8.226 -4.653 -20.146 51 HD1 HIS 7 HD1 HIS 7 7.847 -3.255 -17.462 52 HD2 HIS 7 HD2 HIS 7 6.935 -7.260 -18.097 53 HE1 HIS 7 HE1 HIS 7 6.147 -3.844 -15.712 54 HE2 HIS 7 HE2 HIS 7 5.751 -6.309 -15.997 55 H HIS 8 H HIS 8 11.777 -6.699 -19.640 56 HA HIS 8 HA HIS 8 11.713 -8.137 -17.054 57 HB2 HIS 8 2HB HIS 8 12.511 -9.537 -18.950 58 HB3 HIS 8 3HB HIS 8 13.797 -8.373 -19.246 59 HD1 HIS 8 HD1 HIS 8 15.845 -8.451 -17.702 60 HD2 HIS 8 HD2 HIS 8 12.861 -11.150 -16.647 61 HE1 HIS 8 HE1 HIS 8 16.877 -9.964 -15.991 62 HE2 HIS 8 HE2 HIS 8 15.110 -11.685 -15.498 63 H SER 9 H SER 9 12.470 -6.926 -15.414 64 HA SER 9 HA SER 9 13.594 -5.365 -14.200 65 HB2 SER 9 2HB SER 9 15.609 -6.565 -15.000 66 HB3 SER 9 3HB SER 9 15.674 -5.499 -16.403 67 HG SER 9 HG SER 9 16.496 -3.966 -15.203 68 H HIS 10 H HIS 10 11.754 -4.595 -16.436 69 HA HIS 10 HA HIS 10 12.537 -1.748 -16.626 70 HB2 HIS 10 2HB HIS 10 11.153 -3.493 -18.669 71 HB3 HIS 10 3HB HIS 10 11.029 -1.737 -18.717 72 HD1 HIS 10 HD1 HIS 10 13.810 -4.355 -18.683 73 HD2 HIS 10 HD2 HIS 10 12.984 -0.575 -20.188 74 HE1 HIS 10 HE1 HIS 10 15.773 -3.766 -20.122 75 HE2 HIS 10 HE2 HIS 10 15.216 -1.521 -21.098 76 H MET 11 H MET 11 11.306 -0.620 -15.254 77 HA MET 11 HA MET 11 8.816 -1.729 -14.273 78 HB2 MET 11 2HB MET 11 10.449 -0.760 -12.717 79 HB3 MET 11 3HB MET 11 10.294 0.802 -13.507 80 HG2 MET 11 2HG MET 11 9.040 0.733 -11.427 81 HG3 MET 11 3HG MET 11 7.964 0.936 -12.808 82 HE1 MET 11 3HE MET 11 9.737 -2.370 -11.481 83 HE2 MET 11 1HE MET 11 8.479 -2.969 -10.402 84 HE3 MET 11 2HE MET 11 9.297 -1.449 -10.043 85 H LYS 12 H LYS 12 6.774 -0.863 -14.479 86 HA LYS 12 HA LYS 12 6.318 1.240 -16.461 87 HB2 LYS 12 2HB LYS 12 4.495 -0.647 -14.954 88 HB3 LYS 12 3HB LYS 12 3.850 0.721 -15.846 89 HG2 LYS 12 2HG LYS 12 5.526 -1.466 -17.073 90 HG3 LYS 12 3HG LYS 12 3.762 -1.426 -17.083 91 HD2 LYS 12 2HD LYS 12 3.968 0.854 -18.207 92 HD3 LYS 12 3HD LYS 12 5.677 0.477 -18.431 93 HE2 LYS 12 2HE LYS 12 3.348 -1.139 -19.487 94 HE3 LYS 12 3HE LYS 12 4.369 -0.059 -20.434 95 HZ1 LYS 12 3HZ LYS 12 5.047 -2.341 -20.723 96 HZ2 LYS 12 1HZ LYS 12 5.257 -2.534 -19.056 97 HZ3 LYS 12 2HZ LYS 12 6.263 -1.486 -19.918 98 HA PRO 13 HA PRO 13 5.786 4.515 -13.474 99 HB2 PRO 13 2HB PRO 13 3.644 5.893 -14.502 100 HB3 PRO 13 3HB PRO 13 5.283 6.005 -15.149 101 HG2 PRO 13 2HG PRO 13 2.980 4.337 -16.102 102 HG3 PRO 13 3HG PRO 13 4.123 5.309 -17.052 103 HD2 PRO 13 2HD PRO 13 4.390 2.645 -16.846 104 HD3 PRO 13 3HD PRO 13 5.811 3.709 -16.883 105 H LEU 14 H LEU 14 4.346 5.340 -11.806 106 HA LEU 14 HA LEU 14 3.049 3.411 -10.345 107 HB2 LEU 14 2HB LEU 14 3.790 5.583 -9.459 108 HB3 LEU 14 3HB LEU 14 2.481 6.379 -10.310 109 HG LEU 14 HG LEU 14 0.839 5.152 -8.920 110 HD11 LEU 14 1HD1 LEU 14 3.278 4.103 -7.484 111 HD12 LEU 14 2HD1 LEU 14 2.127 3.158 -8.430 112 HD13 LEU 14 3HD1 LEU 14 1.609 3.931 -6.932 113 HD21 LEU 14 3HD2 LEU 14 2.921 6.683 -7.351 114 HD22 LEU 14 1HD2 LEU 14 1.265 6.368 -6.830 115 HD23 LEU 14 2HD2 LEU 14 1.567 7.378 -8.241 116 H ALA 15 H ALA 15 1.529 5.718 -12.588 117 HA ALA 15 HA ALA 15 -1.146 5.039 -12.120 118 HB1 ALA 15 3HB ALA 15 0.107 6.009 -14.689 119 HB2 ALA 15 1HB ALA 15 -0.473 7.023 -13.368 120 HB3 ALA 15 2HB ALA 15 -1.614 6.052 -14.298 121 H GLU 16 H GLU 16 1.263 3.489 -14.177 122 HA GLU 16 HA GLU 16 -0.721 1.745 -15.412 123 HB2 GLU 16 2HB GLU 16 2.268 1.984 -15.792 124 HB3 GLU 16 3HB GLU 16 1.256 0.843 -16.671 125 HG2 GLU 16 2HG GLU 16 0.899 3.836 -16.731 126 HG3 GLU 16 3HG GLU 16 1.805 2.916 -17.929 127 H GLN 17 H GLN 17 0.792 1.662 -12.500 128 HA GLN 17 HA GLN 17 1.557 -1.096 -12.368 129 HB2 GLN 17 2HB GLN 17 0.930 0.930 -10.211 130 HB3 GLN 17 3HB GLN 17 1.471 -0.711 -9.870 131 HG2 GLN 17 2HG GLN 17 3.014 1.326 -11.468 132 HG3 GLN 17 3HG GLN 17 3.286 0.946 -9.768 133 HE21 GLN 17 1HE2 GLN 17 5.096 0.702 -12.027 134 HE22 GLN 17 2HE2 GLN 17 5.594 -0.951 -12.058 135 H ASP 18 H ASP 18 0.329 -2.854 -12.062 136 HA ASP 18 HA ASP 18 -2.469 -2.716 -12.316 137 HB2 ASP 18 2HB ASP 18 -2.368 -5.210 -11.847 138 HB3 ASP 18 3HB ASP 18 -1.402 -4.627 -13.195 139 H TRP 19 H TRP 19 -0.459 -2.961 -9.448 140 HA TRP 19 HA TRP 19 -2.711 -3.510 -7.719 141 HB2 TRP 19 2HB TRP 19 -0.931 -3.044 -5.888 142 HB3 TRP 19 3HB TRP 19 -0.767 -4.480 -6.890 143 HD1 TRP 19 HD1 TRP 19 1.411 -4.721 -8.301 144 HE1 TRP 19 HE1 TRP 19 3.555 -3.317 -8.560 145 HE3 TRP 19 HE3 TRP 19 -0.114 -0.465 -5.913 146 HZ2 TRP 19 HZ2 TRP 19 4.472 -0.743 -7.849 147 HZ3 TRP 19 HZ3 TRP 19 1.454 1.422 -5.749 148 HH2 TRP 19 HH2 TRP 19 3.695 1.284 -6.696 149 H TYR 20 H TYR 20 -1.518 -0.716 -9.163 150 HA TYR 20 HA TYR 20 -2.580 1.086 -7.102 151 HB2 TYR 20 2HB TYR 20 -0.492 1.787 -8.122 152 HB3 TYR 20 3HB TYR 20 -1.171 1.617 -9.736 153 HD1 TYR 20 HD2 TYR 20 -1.434 3.610 -6.598 154 HD2 TYR 20 HD1 TYR 20 -2.293 3.425 -10.766 155 HE1 TYR 20 HE2 TYR 20 -2.099 5.977 -6.563 156 HE2 TYR 20 HE1 TYR 20 -2.965 5.788 -10.737 157 HH TYR 20 HH TYR 20 -2.293 7.870 -8.152 158 H HIS 21 H HIS 21 -4.715 1.607 -7.145 159 HA HIS 21 HA HIS 21 -6.192 1.136 -9.656 160 HB2 HIS 21 2HB HIS 21 -7.099 1.143 -6.777 161 HB3 HIS 21 3HB HIS 21 -8.224 1.093 -8.129 162 HD1 HIS 21 HD1 HIS 21 -8.901 -1.211 -8.771 163 HD2 HIS 21 HD2 HIS 21 -5.131 -1.151 -7.023 164 HE1 HIS 21 HE1 HIS 21 -8.176 -3.608 -8.655 165 HE2 HIS 21 HE2 HIS 21 -5.817 -3.513 -7.806 166 H GLY 22 H GLY 22 -4.931 3.744 -8.070 167 HA2 GLY 22 2HA GLY 22 -5.168 5.949 -8.883 168 HA3 GLY 22 3HA GLY 22 -6.746 5.527 -9.525 169 H ALA 23 H ALA 23 -7.434 7.577 -8.602 170 HA ALA 23 HA ALA 23 -7.504 7.830 -5.708 171 HB1 ALA 23 3HB ALA 23 -7.138 9.819 -7.106 172 HB2 ALA 23 1HB ALA 23 -8.582 9.980 -6.102 173 HB3 ALA 23 2HB ALA 23 -8.737 9.608 -7.820 174 H ILE 24 H ILE 24 -8.819 6.177 -4.948 175 HA ILE 24 HA ILE 24 -11.673 6.294 -5.738 176 HB ILE 24 HB ILE 24 -11.902 3.935 -5.248 177 HG12 ILE 24 2HG1 ILE 24 -8.944 3.944 -4.565 178 HG13 ILE 24 3HG1 ILE 24 -10.260 3.791 -3.402 179 HG21 ILE 24 1HG2 ILE 24 -11.202 4.496 -7.502 180 HG22 ILE 24 2HG2 ILE 24 -10.487 2.965 -7.003 181 HG23 ILE 24 3HG2 ILE 24 -9.507 4.432 -7.017 182 HD11 ILE 24 3HD1 ILE 24 -10.942 1.695 -4.464 183 HD12 ILE 24 1HD1 ILE 24 -9.278 1.634 -3.881 184 HD13 ILE 24 2HD1 ILE 24 -9.602 1.843 -5.602 185 HA PRO 25 HA PRO 25 -12.748 7.048 -1.473 186 HB2 PRO 25 2HB PRO 25 -15.051 5.577 -1.228 187 HB3 PRO 25 3HB PRO 25 -14.965 7.139 -2.052 188 HG2 PRO 25 2HG PRO 25 -14.918 4.375 -3.218 189 HG3 PRO 25 3HG PRO 25 -15.802 5.809 -3.777 190 HD2 PRO 25 2HD PRO 25 -13.513 5.009 -4.945 191 HD3 PRO 25 3HD PRO 25 -13.928 6.727 -4.784 192 H ARG 26 H ARG 26 -12.908 6.044 0.616 193 HA ARG 26 HA ARG 26 -11.051 3.972 0.993 194 HB2 ARG 26 2HB ARG 26 -11.612 5.739 2.663 195 HB3 ARG 26 3HB ARG 26 -13.150 4.937 2.950 196 HG2 ARG 26 2HG ARG 26 -11.870 2.901 3.651 197 HG3 ARG 26 3HG ARG 26 -10.397 3.864 3.531 198 HD2 ARG 26 2HD ARG 26 -11.093 3.835 5.825 199 HD3 ARG 26 3HD ARG 26 -11.374 5.455 5.186 200 HE ARG 26 HE ARG 26 -13.772 4.466 4.847 201 HH11 ARG 26 1HH1 ARG 26 -11.670 4.046 7.552 202 HH12 ARG 26 2HH1 ARG 26 -12.974 3.744 8.644 203 HH21 ARG 26 1HH2 ARG 26 -15.426 4.069 6.273 204 HH22 ARG 26 2HH2 ARG 26 -15.059 3.751 7.933 205 H ILE 27 H ILE 27 -14.607 3.945 1.139 206 HA ILE 27 HA ILE 27 -14.995 1.362 2.105 207 HB ILE 27 HB ILE 27 -16.737 2.862 0.129 208 HG12 ILE 27 2HG1 ILE 27 -16.841 2.759 3.165 209 HG13 ILE 27 3HG1 ILE 27 -16.293 4.130 2.206 210 HG21 ILE 27 1HG2 ILE 27 -17.297 0.482 0.219 211 HG22 ILE 27 2HG2 ILE 27 -18.570 1.457 0.952 212 HG23 ILE 27 3HG2 ILE 27 -17.437 0.568 1.974 213 HD11 ILE 27 3HD1 ILE 27 -18.552 4.464 3.028 214 HD12 ILE 27 1HD1 ILE 27 -19.081 2.989 2.222 215 HD13 ILE 27 2HD1 ILE 27 -18.534 4.369 1.267 216 H GLU 28 H GLU 28 -15.087 2.348 -1.346 217 HA GLU 28 HA GLU 28 -15.303 -0.204 -2.445 218 HB2 GLU 28 2HB GLU 28 -13.966 2.251 -3.604 219 HB3 GLU 28 3HB GLU 28 -14.418 0.821 -4.526 220 HG2 GLU 28 2HG GLU 28 -16.394 2.482 -2.979 221 HG3 GLU 28 3HG GLU 28 -15.993 2.773 -4.675 222 H ALA 29 H ALA 29 -12.433 1.545 -1.398 223 HA ALA 29 HA ALA 29 -10.487 -0.155 -2.569 224 HB1 ALA 29 3HB ALA 29 -10.022 2.122 -1.743 225 HB2 ALA 29 1HB ALA 29 -8.909 0.923 -1.084 226 HB3 ALA 29 2HB ALA 29 -10.227 1.544 -0.088 227 H GLN 30 H GLN 30 -12.104 -0.193 0.579 228 HA GLN 30 HA GLN 30 -10.522 -2.448 1.485 229 HB2 GLN 30 2HB GLN 30 -11.825 -2.259 3.570 230 HB3 GLN 30 3HB GLN 30 -11.053 -0.751 3.106 231 HG2 GLN 30 2HG GLN 30 -13.211 0.039 2.207 232 HG3 GLN 30 3HG GLN 30 -13.966 -1.449 2.778 233 HE21 GLN 30 1HE2 GLN 30 -15.339 -0.345 4.192 234 HE22 GLN 30 2HE2 GLN 30 -14.761 0.392 5.646 235 H GLU 31 H GLU 31 -13.655 -1.947 0.050 236 HA GLU 31 HA GLU 31 -14.818 -4.422 0.850 237 HB2 GLU 31 2HB GLU 31 -15.497 -2.521 -1.397 238 HB3 GLU 31 3HB GLU 31 -16.455 -3.946 -1.004 239 HG2 GLU 31 2HG GLU 31 -15.891 -1.650 0.869 240 HG3 GLU 31 3HG GLU 31 -17.388 -1.896 -0.032 241 H LEU 32 H LEU 32 -12.662 -3.575 -1.772 242 HA LEU 32 HA LEU 32 -13.162 -6.007 -3.242 243 HB2 LEU 32 2HB LEU 32 -11.381 -5.314 -4.705 244 HB3 LEU 32 3HB LEU 32 -12.428 -3.954 -4.372 245 HG LEU 32 HG LEU 32 -10.586 -3.409 -2.538 246 HD11 LEU 32 1HD1 LEU 32 -8.325 -3.943 -3.411 247 HD12 LEU 32 2HD1 LEU 32 -9.068 -5.044 -4.573 248 HD13 LEU 32 3HD1 LEU 32 -9.212 -5.356 -2.842 249 HD21 LEU 32 3HD2 LEU 32 -10.224 -2.852 -5.486 250 HD22 LEU 32 1HD2 LEU 32 -9.492 -1.945 -4.161 251 HD23 LEU 32 2HD2 LEU 32 -11.243 -1.938 -4.373 252 H LEU 33 H LEU 33 -11.288 -5.162 -0.530 253 HA LEU 33 HA LEU 33 -9.304 -7.241 -0.736 254 HB2 LEU 33 2HB LEU 33 -10.205 -5.661 1.684 255 HB3 LEU 33 3HB LEU 33 -8.734 -6.602 1.552 256 HG LEU 33 HG LEU 33 -9.365 -4.111 -0.039 257 HD11 LEU 33 1HD1 LEU 33 -7.595 -3.070 1.305 258 HD12 LEU 33 2HD1 LEU 33 -7.471 -4.540 2.273 259 HD13 LEU 33 3HD1 LEU 33 -8.958 -3.591 2.295 260 HD21 LEU 33 3HD2 LEU 33 -7.031 -4.246 -0.776 261 HD22 LEU 33 1HD2 LEU 33 -7.961 -5.650 -1.295 262 HD23 LEU 33 2HD2 LEU 33 -6.855 -5.783 0.071 263 H LYS 34 H LYS 34 -9.669 -9.388 -0.316 264 HA LYS 34 HA LYS 34 -11.999 -10.072 1.373 265 HB2 LYS 34 2HB LYS 34 -12.625 -11.819 -0.283 266 HB3 LYS 34 3HB LYS 34 -12.775 -10.173 -0.883 267 HG2 LYS 34 2HG LYS 34 -10.331 -10.651 -1.792 268 HG3 LYS 34 3HG LYS 34 -10.883 -12.326 -1.694 269 HD2 LYS 34 2HD LYS 34 -12.161 -10.068 -3.248 270 HD3 LYS 34 3HD LYS 34 -11.340 -11.480 -3.910 271 HE2 LYS 34 2HE LYS 34 -13.071 -12.939 -3.062 272 HE3 LYS 34 3HE LYS 34 -13.854 -11.590 -2.242 273 HZ1 LYS 34 3HZ LYS 34 -13.547 -11.894 -5.177 274 HZ2 LYS 34 1HZ LYS 34 -14.278 -10.582 -4.401 275 HZ3 LYS 34 2HZ LYS 34 -14.974 -12.122 -4.299 276 H LYS 35 H LYS 35 -8.778 -10.974 0.352 277 HA LYS 35 HA LYS 35 -8.806 -13.039 2.459 278 HB2 LYS 35 2HB LYS 35 -7.360 -14.495 1.123 279 HB3 LYS 35 3HB LYS 35 -8.884 -14.198 0.299 280 HG2 LYS 35 2HG LYS 35 -7.768 -12.517 -1.120 281 HG3 LYS 35 3HG LYS 35 -6.240 -12.882 -0.319 282 HD2 LYS 35 2HD LYS 35 -7.905 -14.850 -1.900 283 HD3 LYS 35 3HD LYS 35 -6.456 -14.031 -2.485 284 HE2 LYS 35 2HE LYS 35 -6.594 -15.942 -0.149 285 HE3 LYS 35 3HE LYS 35 -5.955 -16.310 -1.747 286 HZ1 LYS 35 3HZ LYS 35 -4.269 -14.570 -1.387 287 HZ2 LYS 35 1HZ LYS 35 -4.161 -15.821 -0.255 288 HZ3 LYS 35 2HZ LYS 35 -4.851 -14.347 0.186 289 H GLN 36 H GLN 36 -6.871 -13.291 3.641 290 HA GLN 36 HA GLN 36 -5.493 -10.945 4.205 291 HB2 GLN 36 2HB GLN 36 -5.599 -12.852 5.763 292 HB3 GLN 36 3HB GLN 36 -4.521 -13.770 4.717 293 HG2 GLN 36 2HG GLN 36 -2.735 -12.157 5.101 294 HG3 GLN 36 3HG GLN 36 -3.814 -11.172 6.083 295 HE21 GLN 36 1HE2 GLN 36 -2.530 -11.316 7.902 296 HE22 GLN 36 2HE2 GLN 36 -2.348 -12.775 8.810 297 H GLY 37 H GLY 37 -4.157 -9.828 2.984 298 HA2 GLY 37 2HA GLY 37 -1.779 -9.994 2.093 299 HA3 GLY 37 3HA GLY 37 -2.429 -11.246 1.045 300 H ASP 38 H ASP 38 -4.931 -9.975 0.469 301 HA ASP 38 HA ASP 38 -4.339 -8.577 -1.831 302 HB2 ASP 38 2HB ASP 38 -6.808 -8.246 -0.104 303 HB3 ASP 38 3HB ASP 38 -6.669 -7.746 -1.785 304 H PHE 39 H PHE 39 -3.437 -6.639 -2.189 305 HA PHE 39 HA PHE 39 -4.066 -4.409 -0.396 306 HB2 PHE 39 2HB PHE 39 -1.751 -3.699 -0.244 307 HB3 PHE 39 3HB PHE 39 -1.890 -5.348 0.344 308 HD1 PHE 39 HD1 PHE 39 -1.085 -7.237 -1.084 309 HD2 PHE 39 HD2 PHE 39 -0.364 -3.160 -2.094 310 HE1 PHE 39 HE1 PHE 39 0.711 -7.934 -2.612 311 HE2 PHE 39 HE2 PHE 39 1.430 -3.855 -3.626 312 HZ PHE 39 HZ PHE 39 1.969 -6.243 -3.885 313 H LEU 40 H LEU 40 -4.000 -2.367 -1.338 314 HA LEU 40 HA LEU 40 -3.083 -2.106 -4.102 315 HB2 LEU 40 2HB LEU 40 -5.087 -1.095 -4.917 316 HB3 LEU 40 3HB LEU 40 -5.514 -2.648 -4.227 317 HG LEU 40 HG LEU 40 -5.828 -0.114 -2.625 318 HD11 LEU 40 1HD1 LEU 40 -8.144 0.033 -3.377 319 HD12 LEU 40 2HD1 LEU 40 -7.869 -1.286 -4.515 320 HD13 LEU 40 3HD1 LEU 40 -7.023 0.249 -4.720 321 HD21 LEU 40 3HD2 LEU 40 -5.987 -2.220 -1.407 322 HD22 LEU 40 1HD2 LEU 40 -7.219 -2.795 -2.532 323 HD23 LEU 40 2HD2 LEU 40 -7.558 -1.423 -1.477 324 H VAL 41 H VAL 41 -2.605 0.037 -4.733 325 HA VAL 41 HA VAL 41 -2.446 1.964 -2.506 326 HB VAL 41 HB VAL 41 -0.958 1.948 -5.149 327 HG11 VAL 41 1HG1 VAL 41 -1.357 4.239 -4.411 328 HG12 VAL 41 2HG1 VAL 41 0.344 3.822 -4.211 329 HG13 VAL 41 3HG1 VAL 41 -0.725 3.856 -2.810 330 HG21 VAL 41 3HG2 VAL 41 -0.191 0.212 -3.622 331 HG22 VAL 41 1HG2 VAL 41 -0.012 1.397 -2.328 332 HG23 VAL 41 2HG2 VAL 41 1.020 1.486 -3.758 333 H ARG 42 H ARG 42 -3.689 3.710 -2.493 334 HA ARG 42 HA ARG 42 -5.052 4.555 -4.973 335 HB2 ARG 42 2HB ARG 42 -7.066 5.052 -3.532 336 HB3 ARG 42 3HB ARG 42 -6.700 3.342 -3.730 337 HG2 ARG 42 2HG ARG 42 -5.634 3.303 -1.529 338 HG3 ARG 42 3HG ARG 42 -5.976 5.021 -1.331 339 HD2 ARG 42 2HD ARG 42 -8.133 2.971 -1.791 340 HD3 ARG 42 3HD ARG 42 -7.565 3.408 -0.187 341 HE ARG 42 HE ARG 42 -9.049 5.121 -2.030 342 HH11 ARG 42 1HH1 ARG 42 -7.644 4.644 1.068 343 HH12 ARG 42 2HH1 ARG 42 -8.478 5.978 1.779 344 HH21 ARG 42 1HH2 ARG 42 -10.089 6.853 -1.135 345 HH22 ARG 42 2HH2 ARG 42 -9.840 7.229 0.533 346 H GLU 43 H GLU 43 -5.500 6.766 -5.173 347 HA GLU 43 HA GLU 43 -3.928 8.525 -3.445 348 HB2 GLU 43 2HB GLU 43 -3.803 8.720 -5.940 349 HB3 GLU 43 3HB GLU 43 -5.494 9.209 -5.950 350 HG2 GLU 43 2HG GLU 43 -4.939 11.181 -4.616 351 HG3 GLU 43 3HG GLU 43 -3.248 10.684 -4.575 352 H SER 44 H SER 44 -4.821 9.722 -1.863 353 HA SER 44 HA SER 44 -7.562 9.450 -1.172 354 HB2 SER 44 2HB SER 44 -5.848 9.824 0.541 355 HB3 SER 44 3HB SER 44 -5.499 11.418 -0.129 356 HG SER 44 HG SER 44 -7.007 11.221 1.757 357 H HIS 45 H HIS 45 -9.222 10.413 -2.176 358 HA HIS 45 HA HIS 45 -8.843 12.810 -3.729 359 HB2 HIS 45 2HB HIS 45 -10.490 10.822 -4.170 360 HB3 HIS 45 3HB HIS 45 -11.557 11.688 -3.068 361 HD1 HIS 45 HD1 HIS 45 -12.435 11.330 -5.945 362 HD2 HIS 45 HD2 HIS 45 -10.252 14.615 -4.650 363 HE1 HIS 45 HE1 HIS 45 -12.891 13.139 -7.624 364 HE2 HIS 45 HE2 HIS 45 -11.390 15.030 -6.933 365 H GLY 46 H GLY 46 -9.699 12.091 -0.486 366 HA2 GLY 46 2HA GLY 46 -10.917 14.672 0.068 367 HA3 GLY 46 3HA GLY 46 -10.501 13.433 1.245 368 H LYS 47 H LYS 47 -7.752 13.202 0.252 369 HA LYS 47 HA LYS 47 -6.609 15.817 1.017 370 HB2 LYS 47 2HB LYS 47 -6.330 14.171 2.830 371 HB3 LYS 47 3HB LYS 47 -5.565 13.056 1.709 372 HG2 LYS 47 2HG LYS 47 -3.864 14.071 3.027 373 HG3 LYS 47 3HG LYS 47 -3.741 14.716 1.391 374 HD2 LYS 47 2HD LYS 47 -4.857 16.763 2.085 375 HD3 LYS 47 3HD LYS 47 -5.101 16.105 3.706 376 HE2 LYS 47 2HE LYS 47 -2.434 16.675 2.399 377 HE3 LYS 47 3HE LYS 47 -3.200 17.645 3.657 378 HZ1 LYS 47 3HZ LYS 47 -2.308 14.822 3.957 379 HZ2 LYS 47 1HZ LYS 47 -3.042 15.758 5.158 380 HZ3 LYS 47 2HZ LYS 47 -1.513 16.180 4.577 381 HA PRO 48 HA PRO 48 -5.620 14.804 -3.407 382 HB2 PRO 48 2HB PRO 48 -4.792 17.674 -3.204 383 HB3 PRO 48 3HB PRO 48 -5.717 16.853 -4.472 384 HG2 PRO 48 2HG PRO 48 -6.967 18.393 -2.713 385 HG3 PRO 48 3HG PRO 48 -7.682 16.847 -3.208 386 HD2 PRO 48 2HD PRO 48 -6.251 17.548 -0.670 387 HD3 PRO 48 3HD PRO 48 -7.670 16.507 -0.916 388 H GLY 49 H GLY 49 -3.769 13.858 -4.010 389 HA2 GLY 49 2HA GLY 49 -1.487 13.847 -4.595 390 HA3 GLY 49 3HA GLY 49 -1.198 15.152 -3.460 391 H GLU 50 H GLU 50 -2.870 13.322 -1.514 392 HA GLU 50 HA GLU 50 -0.506 11.945 -0.469 393 HB2 GLU 50 2HB GLU 50 -1.809 13.429 1.016 394 HB3 GLU 50 3HB GLU 50 -3.223 12.412 0.785 395 HG2 GLU 50 2HG GLU 50 -2.066 10.549 1.866 396 HG3 GLU 50 3HG GLU 50 -0.635 11.555 2.079 397 H TYR 51 H TYR 51 -0.271 9.769 -0.470 398 HA TYR 51 HA TYR 51 -2.452 8.179 -1.650 399 HB2 TYR 51 2HB TYR 51 0.532 7.694 -1.553 400 HB3 TYR 51 3HB TYR 51 -0.632 6.526 -2.175 401 HD1 TYR 51 HD2 TYR 51 0.673 9.976 -2.696 402 HD2 TYR 51 HD1 TYR 51 -1.424 6.678 -4.401 403 HE1 TYR 51 HE2 TYR 51 0.742 11.070 -4.898 404 HE2 TYR 51 HE1 TYR 51 -1.358 7.771 -6.602 405 HH TYR 51 HH TYR 51 -1.185 10.178 -7.440 406 H VAL 52 H VAL 52 -3.208 6.323 -0.734 407 HA VAL 52 HA VAL 52 -2.186 5.606 1.947 408 HB VAL 52 HB VAL 52 -5.097 5.583 1.097 409 HG11 VAL 52 1HG1 VAL 52 -3.805 4.989 3.764 410 HG12 VAL 52 2HG1 VAL 52 -4.611 3.833 2.704 411 HG13 VAL 52 3HG1 VAL 52 -5.542 5.112 3.482 412 HG21 VAL 52 3HG2 VAL 52 -5.401 7.443 2.670 413 HG22 VAL 52 1HG2 VAL 52 -4.281 7.873 1.374 414 HG23 VAL 52 2HG2 VAL 52 -3.663 7.471 2.976 415 H LEU 53 H LEU 53 -1.648 3.523 2.175 416 HA LEU 53 HA LEU 53 -2.296 1.582 0.104 417 HB2 LEU 53 2HB LEU 53 -0.020 1.690 1.048 418 HB3 LEU 53 3HB LEU 53 -0.660 1.315 2.638 419 HG LEU 53 HG LEU 53 -1.431 -0.901 1.734 420 HD11 LEU 53 1HD1 LEU 53 0.217 -0.105 -0.666 421 HD12 LEU 53 2HD1 LEU 53 -1.534 -0.325 -0.629 422 HD13 LEU 53 3HD1 LEU 53 -0.466 -1.704 -0.363 423 HD21 LEU 53 3HD2 LEU 53 1.531 -0.338 1.547 424 HD22 LEU 53 1HD2 LEU 53 0.789 -1.925 1.756 425 HD23 LEU 53 2HD2 LEU 53 0.633 -0.706 3.019 426 H SER 54 H SER 54 -3.838 0.031 0.278 427 HA SER 54 HA SER 54 -5.089 -0.402 2.927 428 HB2 SER 54 2HB SER 54 -6.463 -0.250 0.224 429 HB3 SER 54 3HB SER 54 -7.254 -0.782 1.711 430 HG SER 54 HG SER 54 -6.002 1.743 1.337 431 H VAL 55 H VAL 55 -4.814 -2.401 3.640 432 HA VAL 55 HA VAL 55 -4.573 -4.628 1.721 433 HB VAL 55 HB VAL 55 -2.309 -3.979 2.288 434 HG11 VAL 55 1HG1 VAL 55 -3.105 -4.339 5.180 435 HG12 VAL 55 2HG1 VAL 55 -2.753 -2.807 4.379 436 HG13 VAL 55 3HG1 VAL 55 -1.476 -4.005 4.591 437 HG21 VAL 55 3HG2 VAL 55 -3.104 -6.510 3.743 438 HG22 VAL 55 1HG2 VAL 55 -1.466 -6.087 3.242 439 HG23 VAL 55 2HG2 VAL 55 -2.714 -6.370 2.028 440 H TYR 56 H TYR 56 -5.172 -6.691 2.514 441 HA TYR 56 HA TYR 56 -7.061 -6.595 4.750 442 HB2 TYR 56 2HB TYR 56 -7.548 -7.558 2.411 443 HB3 TYR 56 3HB TYR 56 -6.585 -8.941 2.910 444 HD1 TYR 56 HD1 TYR 56 -9.704 -7.075 3.491 445 HD2 TYR 56 HD2 TYR 56 -7.466 -10.557 4.487 446 HE1 TYR 56 HE1 TYR 56 -11.705 -8.059 4.514 447 HE2 TYR 56 HE2 TYR 56 -9.465 -11.551 5.514 448 HH TYR 56 HH TYR 56 -12.580 -10.303 5.049 449 H SER 57 H SER 57 -6.406 -7.211 6.745 450 HA SER 57 HA SER 57 -4.833 -9.657 7.044 451 HB2 SER 57 2HB SER 57 -3.118 -7.884 7.039 452 HB3 SER 57 3HB SER 57 -3.962 -7.058 8.348 453 HG SER 57 HG SER 57 -3.315 -8.557 9.752 454 H ASP 58 H ASP 58 -5.323 -10.822 8.859 455 HA ASP 58 HA ASP 58 -6.359 -11.506 10.769 456 HB2 ASP 58 2HB ASP 58 -6.565 -8.558 11.439 457 HB3 ASP 58 3HB ASP 58 -6.734 -9.897 12.569 458 H GLY 59 H GLY 59 -7.945 -10.732 8.323 459 HA2 GLY 59 2HA GLY 59 -10.202 -10.864 7.771 460 HA3 GLY 59 3HA GLY 59 -10.598 -10.850 9.482 461 H GLN 60 H GLN 60 -8.649 -8.305 9.283 462 HA GLN 60 HA GLN 60 -10.854 -6.414 8.786 463 HB2 GLN 60 2HB GLN 60 -8.236 -5.998 10.255 464 HB3 GLN 60 3HB GLN 60 -9.519 -4.808 10.097 465 HG2 GLN 60 2HG GLN 60 -11.025 -6.329 11.351 466 HG3 GLN 60 3HG GLN 60 -9.667 -7.435 11.574 467 HE21 GLN 60 1HE2 GLN 60 -11.079 -4.406 12.507 468 HE22 GLN 60 2HE2 GLN 60 -10.033 -4.110 13.849 469 H ARG 61 H ARG 61 -10.402 -4.424 7.617 470 HA ARG 61 HA ARG 61 -8.276 -4.720 5.612 471 HB2 ARG 61 2HB ARG 61 -10.604 -2.787 5.754 472 HB3 ARG 61 3HB ARG 61 -9.378 -2.764 4.498 473 HG2 ARG 61 2HG ARG 61 -11.072 -3.920 3.474 474 HG3 ARG 61 3HG ARG 61 -10.083 -5.233 4.104 475 HD2 ARG 61 2HD ARG 61 -11.727 -5.962 5.452 476 HD3 ARG 61 3HD ARG 61 -12.126 -4.332 5.995 477 HE ARG 61 HE ARG 61 -13.281 -4.191 3.706 478 HH11 ARG 61 1HH1 ARG 61 -13.073 -7.077 5.569 479 HH12 ARG 61 2HH1 ARG 61 -14.577 -7.688 4.979 480 HH21 ARG 61 1HH2 ARG 61 -15.219 -4.968 2.979 481 HH22 ARG 61 2HH2 ARG 61 -15.766 -6.518 3.526 482 H ARG 62 H ARG 62 -6.383 -4.006 6.366 483 HA ARG 62 HA ARG 62 -6.142 -1.841 8.248 484 HB2 ARG 62 2HB ARG 62 -3.963 -3.229 6.669 485 HB3 ARG 62 3HB ARG 62 -3.750 -2.257 8.118 486 HG2 ARG 62 2HG ARG 62 -5.276 -4.857 8.009 487 HG3 ARG 62 3HG ARG 62 -3.592 -4.699 8.511 488 HD2 ARG 62 2HD ARG 62 -4.313 -3.201 10.342 489 HD3 ARG 62 3HD ARG 62 -5.994 -3.436 9.848 490 HE ARG 62 HE ARG 62 -4.540 -5.868 10.411 491 HH11 ARG 62 1HH1 ARG 62 -6.476 -3.361 11.797 492 HH12 ARG 62 2HH1 ARG 62 -7.063 -4.390 13.054 493 HH21 ARG 62 1HH2 ARG 62 -5.300 -7.142 12.037 494 HH22 ARG 62 2HH2 ARG 62 -6.395 -6.483 13.206 495 H HIS 63 H HIS 63 -5.568 0.262 7.855 496 HA HIS 63 HA HIS 63 -4.978 1.013 5.054 497 HB2 HIS 63 2HB HIS 63 -6.553 2.651 7.062 498 HB3 HIS 63 3HB HIS 63 -6.197 3.107 5.399 499 HD1 HIS 63 HD1 HIS 63 -7.257 1.341 3.551 500 HD2 HIS 63 HD2 HIS 63 -8.947 1.396 7.353 501 HE1 HIS 63 HE1 HIS 63 -9.516 0.286 3.298 502 HE2 HIS 63 HE2 HIS 63 -10.571 0.428 5.577 503 H PHE 64 H PHE 64 -2.972 1.766 4.859 504 HA PHE 64 HA PHE 64 -1.756 3.248 7.113 505 HB2 PHE 64 2HB PHE 64 -0.337 1.553 5.038 506 HB3 PHE 64 3HB PHE 64 0.423 2.404 6.378 507 HD1 PHE 64 HD2 PHE 64 -0.517 1.759 8.763 508 HD2 PHE 64 HD1 PHE 64 -0.825 -0.698 5.295 509 HE1 PHE 64 HE2 PHE 64 -0.815 -0.222 10.191 510 HE2 PHE 64 HE1 PHE 64 -1.124 -2.676 6.720 511 HZ PHE 64 HZ PHE 64 -1.120 -2.443 9.173 512 H ILE 65 H ILE 65 -1.391 5.335 6.679 513 HA ILE 65 HA ILE 65 -1.583 6.355 3.980 514 HB ILE 65 HB ILE 65 -1.005 7.809 6.575 515 HG12 ILE 65 2HG1 ILE 65 -3.591 7.523 5.012 516 HG13 ILE 65 3HG1 ILE 65 -3.226 6.714 6.532 517 HG21 ILE 65 1HG2 ILE 65 -1.751 8.891 3.853 518 HG22 ILE 65 2HG2 ILE 65 -0.189 9.065 4.652 519 HG23 ILE 65 3HG2 ILE 65 -1.616 9.845 5.331 520 HD11 ILE 65 3HD1 ILE 65 -3.089 8.899 7.640 521 HD12 ILE 65 1HD1 ILE 65 -4.667 8.613 6.902 522 HD13 ILE 65 2HD1 ILE 65 -3.507 9.683 6.114 523 H ILE 66 H ILE 66 0.047 7.172 2.720 524 HA ILE 66 HA ILE 66 2.797 6.641 3.544 525 HB ILE 66 HB ILE 66 1.754 7.687 0.895 526 HG12 ILE 66 2HG1 ILE 66 2.547 4.867 1.698 527 HG13 ILE 66 3HG1 ILE 66 0.905 5.425 1.385 528 HG21 ILE 66 1HG2 ILE 66 3.955 7.060 0.017 529 HG22 ILE 66 2HG2 ILE 66 4.468 6.573 1.632 530 HG23 ILE 66 3HG2 ILE 66 4.096 8.265 1.297 531 HD11 ILE 66 3HD1 ILE 66 1.499 5.856 -0.943 532 HD12 ILE 66 1HD1 ILE 66 1.790 4.177 -0.496 533 HD13 ILE 66 2HD1 ILE 66 3.143 5.301 -0.630 534 H GLN 67 H GLN 67 3.800 8.208 4.710 535 HA GLN 67 HA GLN 67 3.085 11.014 4.334 536 HB2 GLN 67 2HB GLN 67 5.201 9.894 6.189 537 HB3 GLN 67 3HB GLN 67 4.504 11.505 6.226 538 HG2 GLN 67 2HG GLN 67 3.454 10.422 7.982 539 HG3 GLN 67 3HG GLN 67 2.269 10.320 6.679 540 HE21 GLN 67 1HE2 GLN 67 1.301 8.500 7.645 541 HE22 GLN 67 2HE2 GLN 67 2.050 6.948 7.577 542 H TYR 68 H TYR 68 4.216 12.439 3.160 543 HA TYR 68 HA TYR 68 6.687 11.628 1.859 544 HB2 TYR 68 2HB TYR 68 4.952 12.866 0.611 545 HB3 TYR 68 3HB TYR 68 5.135 14.229 1.708 546 HD1 TYR 68 HD1 TYR 68 7.173 12.107 -0.598 547 HD2 TYR 68 HD2 TYR 68 6.541 15.971 1.068 548 HE1 TYR 68 HE1 TYR 68 8.904 13.020 -2.080 549 HE2 TYR 68 HE2 TYR 68 8.274 16.894 -0.410 550 HH TYR 68 HH TYR 68 9.559 15.145 -3.054 551 H VAL 69 H VAL 69 8.363 11.596 3.305 552 HA VAL 69 HA VAL 69 8.991 14.110 4.737 553 HB VAL 69 HB VAL 69 9.390 11.329 5.882 554 HG11 VAL 69 1HG1 VAL 69 9.959 12.522 7.960 555 HG12 VAL 69 2HG1 VAL 69 9.822 14.060 7.104 556 HG13 VAL 69 3HG1 VAL 69 11.075 12.903 6.649 557 HG21 VAL 69 3HG2 VAL 69 7.352 13.427 6.646 558 HG22 VAL 69 1HG2 VAL 69 7.620 11.894 7.479 559 HG23 VAL 69 2HG2 VAL 69 7.014 11.904 5.822 560 H ASP 70 H ASP 70 11.116 14.739 4.702 561 HA ASP 70 HA ASP 70 13.278 14.893 3.995 562 HB2 ASP 70 2HB ASP 70 13.260 11.877 4.300 563 HB3 ASP 70 3HB ASP 70 14.696 12.891 4.201 564 H ASN 71 H ASN 71 11.247 14.704 1.978 565 HA ASN 71 HA ASN 71 11.004 14.549 -0.277 566 HB2 ASN 71 2HB ASN 71 13.979 13.961 -0.270 567 HB3 ASN 71 3HB ASN 71 13.025 14.348 -1.697 568 HD21 ASN 71 1HD2 ASN 71 14.428 15.592 1.227 569 HD22 ASN 71 2HD2 ASN 71 14.220 17.262 0.848 570 H MET 72 H MET 72 11.013 12.097 1.573 571 HA MET 72 HA MET 72 11.046 10.062 -0.572 572 HB2 MET 72 2HB MET 72 11.778 9.636 2.334 573 HB3 MET 72 3HB MET 72 11.735 8.394 1.092 574 HG2 MET 72 2HG MET 72 13.545 9.524 -0.102 575 HG3 MET 72 3HG MET 72 13.589 10.768 1.148 576 HE1 MET 72 3HE MET 72 13.036 8.953 3.765 577 HE2 MET 72 1HE MET 72 14.220 10.258 3.707 578 HE3 MET 72 2HE MET 72 14.693 8.663 4.292 579 H TYR 73 H TYR 73 9.495 8.384 -0.399 580 HA TYR 73 HA TYR 73 7.093 9.088 1.127 581 HB2 TYR 73 2HB TYR 73 7.499 7.089 -1.118 582 HB3 TYR 73 3HB TYR 73 5.957 7.431 -0.339 583 HD1 TYR 73 HD2 TYR 73 4.947 9.724 -0.580 584 HD2 TYR 73 HD1 TYR 73 8.336 8.500 -2.849 585 HE1 TYR 73 HE2 TYR 73 4.558 11.572 -2.151 586 HE2 TYR 73 HE1 TYR 73 7.954 10.345 -4.427 587 HH TYR 73 HH TYR 73 6.065 11.774 -5.166 588 H ARG 74 H ARG 74 6.493 7.975 2.898 589 HA ARG 74 HA ARG 74 7.607 5.313 3.430 590 HB2 ARG 74 2HB ARG 74 8.175 6.195 5.803 591 HB3 ARG 74 3HB ARG 74 9.283 6.545 4.483 592 HG2 ARG 74 2HG ARG 74 8.986 8.757 4.665 593 HG3 ARG 74 3HG ARG 74 7.237 8.602 4.801 594 HD2 ARG 74 2HD ARG 74 9.156 8.062 7.061 595 HD3 ARG 74 3HD ARG 74 8.359 9.612 6.791 596 HE ARG 74 HE ARG 74 6.310 7.819 6.861 597 HH11 ARG 74 1HH1 ARG 74 8.892 8.606 8.995 598 HH12 ARG 74 2HH1 ARG 74 7.985 8.204 10.412 599 HH21 ARG 74 1HH2 ARG 74 5.152 7.309 8.675 600 HH22 ARG 74 2HH2 ARG 74 5.881 7.496 10.236 601 H PHE 75 H PHE 75 6.729 4.393 5.535 602 HA PHE 75 HA PHE 75 3.899 5.179 5.891 603 HB2 PHE 75 2HB PHE 75 5.241 2.485 6.187 604 HB3 PHE 75 3HB PHE 75 3.596 2.806 6.718 605 HD1 PHE 75 HD1 PHE 75 1.869 3.459 5.023 606 HD2 PHE 75 HD2 PHE 75 5.722 2.016 3.916 607 HE1 PHE 75 HE1 PHE 75 1.018 2.917 2.783 608 HE2 PHE 75 HE2 PHE 75 4.873 1.479 1.668 609 HZ PHE 75 HZ PHE 75 2.521 1.928 1.101 610 H GLU 76 H GLU 76 6.543 3.622 7.736 611 HA GLU 76 HA GLU 76 5.560 5.011 10.157 612 HB2 GLU 76 2HB GLU 76 4.973 2.614 10.209 613 HB3 GLU 76 3HB GLU 76 6.668 2.195 10.007 614 HG2 GLU 76 2HG GLU 76 5.984 1.946 12.323 615 HG3 GLU 76 3HG GLU 76 7.185 3.227 12.167 616 H GLY 77 H GLY 77 8.403 3.399 8.715 617 HA2 GLY 77 2HA GLY 77 10.121 5.189 10.332 618 HA3 GLY 77 3HA GLY 77 10.600 3.593 9.777 619 H THR 78 H THR 78 11.745 3.459 7.935 620 HA THR 78 HA THR 78 12.360 5.890 6.464 621 HB THR 78 HB THR 78 14.191 4.372 7.006 622 HG1 THR 78 HG1 THR 78 14.242 3.896 4.311 623 HG21 THR 78 3HG2 THR 78 12.961 2.254 6.997 624 HG22 THR 78 1HG2 THR 78 14.381 2.163 5.956 625 HG23 THR 78 2HG2 THR 78 12.778 2.360 5.246 626 H GLY 79 H GLY 79 12.629 5.565 3.963 627 HA2 GLY 79 2HA GLY 79 10.569 3.968 2.702 628 HA3 GLY 79 3HA GLY 79 10.216 5.688 2.726 629 H PHE 80 H PHE 80 10.216 5.238 0.342 630 HA PHE 80 HA PHE 80 12.946 5.423 -0.784 631 HB2 PHE 80 2HB PHE 80 10.531 3.944 -1.839 632 HB3 PHE 80 3HB PHE 80 11.894 4.365 -2.874 633 HD1 PHE 80 HD1 PHE 80 10.962 2.472 0.191 634 HD2 PHE 80 HD2 PHE 80 13.823 3.040 -2.914 635 HE1 PHE 80 HE1 PHE 80 12.151 0.441 0.915 636 HE2 PHE 80 HE2 PHE 80 15.015 1.016 -2.194 637 HZ PHE 80 HZ PHE 80 14.182 -0.288 -0.275 638 H SER 81 H SER 81 13.180 6.676 -2.737 639 HA SER 81 HA SER 81 11.918 9.180 -2.614 640 HB2 SER 81 2HB SER 81 13.465 7.972 -4.922 641 HB3 SER 81 3HB SER 81 13.073 9.681 -4.742 642 HG SER 81 HG SER 81 15.225 8.685 -3.943 643 H ASN 82 H ASN 82 10.988 6.296 -4.336 644 HA ASN 82 HA ASN 82 8.748 7.803 -5.532 645 HB2 ASN 82 2HB ASN 82 10.348 5.588 -6.827 646 HB3 ASN 82 3HB ASN 82 8.797 6.152 -7.439 647 HD21 ASN 82 1HD2 ASN 82 12.157 6.854 -7.110 648 HD22 ASN 82 2HD2 ASN 82 12.166 8.272 -8.093 649 H ILE 83 H ILE 83 6.751 6.862 -5.540 650 HA ILE 83 HA ILE 83 6.124 5.119 -3.429 651 HB ILE 83 HB ILE 83 4.418 5.869 -5.812 652 HG12 ILE 83 2HG1 ILE 83 4.591 7.094 -3.040 653 HG13 ILE 83 3HG1 ILE 83 5.253 7.802 -4.510 654 HG21 ILE 83 1HG2 ILE 83 2.501 5.283 -4.395 655 HG22 ILE 83 2HG2 ILE 83 3.602 4.731 -3.132 656 HG23 ILE 83 3HG2 ILE 83 3.542 3.888 -4.681 657 HD11 ILE 83 3HD1 ILE 83 3.154 8.841 -3.876 658 HD12 ILE 83 1HD1 ILE 83 2.341 7.279 -3.969 659 HD13 ILE 83 2HD1 ILE 83 3.012 8.013 -5.427 660 HA PRO 84 HA PRO 84 5.388 1.684 -6.937 661 HB2 PRO 84 2HB PRO 84 7.331 1.959 -8.931 662 HB3 PRO 84 3HB PRO 84 5.618 2.353 -9.106 663 HG2 PRO 84 2HG PRO 84 7.924 4.159 -8.501 664 HG3 PRO 84 3HG PRO 84 6.519 4.446 -9.548 665 HD2 PRO 84 2HD PRO 84 6.651 5.538 -7.116 666 HD3 PRO 84 3HD PRO 84 5.114 4.901 -7.736 667 H GLN 85 H GLN 85 8.628 3.096 -6.482 668 HA GLN 85 HA GLN 85 9.987 0.612 -6.240 669 HB2 GLN 85 2HB GLN 85 10.783 3.364 -5.253 670 HB3 GLN 85 3HB GLN 85 11.863 1.981 -5.365 671 HG2 GLN 85 2HG GLN 85 10.413 2.969 -7.796 672 HG3 GLN 85 3HG GLN 85 11.862 3.790 -7.230 673 HE21 GLN 85 1HE2 GLN 85 11.578 0.316 -6.864 674 HE22 GLN 85 2HE2 GLN 85 12.708 -0.080 -8.097 675 H LEU 86 H LEU 86 8.634 2.869 -3.862 676 HA LEU 86 HA LEU 86 9.443 1.650 -1.493 677 HB2 LEU 86 2HB LEU 86 8.318 3.819 -1.600 678 HB3 LEU 86 3HB LEU 86 6.836 3.047 -2.135 679 HG LEU 86 HG LEU 86 6.714 1.869 0.067 680 HD11 LEU 86 1HD1 LEU 86 9.077 1.937 0.662 681 HD12 LEU 86 2HD1 LEU 86 8.084 2.670 1.919 682 HD13 LEU 86 3HD1 LEU 86 9.002 3.693 0.812 683 HD21 LEU 86 3HD2 LEU 86 5.446 3.916 -0.370 684 HD22 LEU 86 1HD2 LEU 86 6.801 4.884 0.211 685 HD23 LEU 86 2HD2 LEU 86 5.942 3.811 1.318 686 H ILE 87 H ILE 87 6.345 1.123 -3.213 687 HA ILE 87 HA ILE 87 5.462 -0.985 -1.543 688 HB ILE 87 HB ILE 87 4.626 -0.346 -4.382 689 HG12 ILE 87 2HG1 ILE 87 4.335 1.575 -2.881 690 HG13 ILE 87 3HG1 ILE 87 2.771 0.900 -3.327 691 HG21 ILE 87 1HG2 ILE 87 3.931 -2.587 -3.766 692 HG22 ILE 87 2HG2 ILE 87 2.528 -1.518 -3.796 693 HG23 ILE 87 3HG2 ILE 87 3.243 -1.990 -2.255 694 HD11 ILE 87 3HD1 ILE 87 4.207 0.427 -0.720 695 HD12 ILE 87 1HD1 ILE 87 2.626 -0.215 -1.168 696 HD13 ILE 87 2HD1 ILE 87 2.850 1.524 -0.976 697 H ASP 88 H ASP 88 6.890 -1.067 -4.827 698 HA ASP 88 HA ASP 88 6.855 -3.817 -5.227 699 HB2 ASP 88 2HB ASP 88 7.386 -2.205 -6.995 700 HB3 ASP 88 3HB ASP 88 8.904 -1.807 -6.197 701 H HIS 89 H HIS 89 9.471 -1.848 -3.770 702 HA HIS 89 HA HIS 89 11.298 -3.923 -3.378 703 HB2 HIS 89 2HB HIS 89 11.748 -1.449 -3.108 704 HB3 HIS 89 3HB HIS 89 10.990 -1.556 -1.522 705 HD1 HIS 89 HD1 HIS 89 12.341 -2.716 0.363 706 HD2 HIS 89 HD2 HIS 89 14.278 -2.649 -3.317 707 HE1 HIS 89 HE1 HIS 89 14.713 -3.379 0.838 708 HE2 HIS 89 HE2 HIS 89 15.881 -3.277 -1.388 709 H HIS 90 H HIS 90 8.685 -2.792 -1.214 710 HA HIS 90 HA HIS 90 9.307 -4.586 0.903 711 HB2 HIS 90 2HB HIS 90 6.808 -3.085 0.160 712 HB3 HIS 90 3HB HIS 90 6.810 -4.229 1.502 713 HD1 HIS 90 HD1 HIS 90 7.743 -0.799 0.604 714 HD2 HIS 90 HD2 HIS 90 8.609 -3.487 3.647 715 HE1 HIS 90 HE1 HIS 90 8.763 0.571 2.437 716 HE2 HIS 90 HE2 HIS 90 9.527 -1.117 4.129 717 H TYR 91 H TYR 91 7.226 -4.949 -1.947 718 HA TYR 91 HA TYR 91 6.134 -7.469 -1.244 719 HB2 TYR 91 2HB TYR 91 5.184 -5.995 -2.998 720 HB3 TYR 91 3HB TYR 91 6.590 -6.304 -4.008 721 HD1 TYR 91 HD2 TYR 91 6.941 -8.583 -4.976 722 HD2 TYR 91 HD1 TYR 91 3.388 -7.580 -2.846 723 HE1 TYR 91 HE2 TYR 91 5.817 -10.547 -5.936 724 HE2 TYR 91 HE1 TYR 91 2.259 -9.542 -3.801 725 HH TYR 91 HH TYR 91 2.689 -10.990 -6.112 726 H THR 92 H THR 92 8.937 -6.596 -3.266 727 HA THR 92 HA THR 92 9.675 -9.213 -4.011 728 HB THR 92 HB THR 92 11.892 -8.266 -4.567 729 HG1 THR 92 HG1 THR 92 11.832 -5.787 -4.229 730 HG21 THR 92 3HG2 THR 92 11.130 -6.626 -6.217 731 HG22 THR 92 1HG2 THR 92 9.585 -6.481 -5.374 732 HG23 THR 92 2HG2 THR 92 10.030 -8.002 -6.150 733 H THR 93 H THR 93 11.056 -7.122 -1.451 734 HA THR 93 HA THR 93 12.667 -9.193 -0.316 735 HB THR 93 HB THR 93 12.976 -7.703 1.613 736 HG1 THR 93 HG1 THR 93 11.008 -6.067 0.339 737 HG21 THR 93 3HG2 THR 93 13.950 -5.778 0.431 738 HG22 THR 93 1HG2 THR 93 13.069 -6.229 -1.029 739 HG23 THR 93 2HG2 THR 93 14.323 -7.293 -0.391 740 H LYS 94 H LYS 94 9.341 -8.566 -0.164 741 HA LYS 94 HA LYS 94 7.589 -9.454 0.956 742 HB2 LYS 94 2HB LYS 94 9.200 -11.552 0.491 743 HB3 LYS 94 3HB LYS 94 9.238 -11.580 2.249 744 HG2 LYS 94 2HG LYS 94 7.511 -13.064 1.415 745 HG3 LYS 94 3HG LYS 94 6.781 -11.715 2.292 746 HD2 LYS 94 2HD LYS 94 6.264 -10.594 0.191 747 HD3 LYS 94 3HD LYS 94 7.078 -11.870 -0.716 748 HE2 LYS 94 2HE LYS 94 5.413 -13.487 0.134 749 HE3 LYS 94 3HE LYS 94 4.586 -12.169 0.966 750 HZ1 LYS 94 3HZ LYS 94 3.578 -12.707 -1.187 751 HZ2 LYS 94 1HZ LYS 94 5.023 -12.312 -1.968 752 HZ3 LYS 94 2HZ LYS 94 4.155 -11.119 -1.140 753 H GLN 95 H GLN 95 9.308 -7.467 2.216 754 HA GLN 95 HA GLN 95 9.312 -8.139 5.058 755 HB2 GLN 95 2HB GLN 95 11.198 -6.923 3.680 756 HB3 GLN 95 3HB GLN 95 10.214 -5.494 3.940 757 HG2 GLN 95 2HG GLN 95 11.150 -7.244 6.197 758 HG3 GLN 95 3HG GLN 95 12.113 -5.913 5.565 759 HE21 GLN 95 1HE2 GLN 95 9.883 -4.179 5.068 760 HE22 GLN 95 2HE2 GLN 95 9.289 -3.657 6.598 761 H VAL 96 H VAL 96 8.159 -6.969 6.625 762 HA VAL 96 HA VAL 96 5.511 -6.374 5.902 763 HB VAL 96 HB VAL 96 5.121 -5.798 8.224 764 HG11 VAL 96 1HG1 VAL 96 5.920 -7.853 9.295 765 HG12 VAL 96 2HG1 VAL 96 7.053 -8.107 7.968 766 HG13 VAL 96 3HG1 VAL 96 5.317 -8.164 7.667 767 HG21 VAL 96 3HG2 VAL 96 7.090 -4.407 8.629 768 HG22 VAL 96 1HG2 VAL 96 8.128 -5.832 8.552 769 HG23 VAL 96 2HG2 VAL 96 6.950 -5.667 9.855 770 H ILE 97 H ILE 97 4.271 -4.462 6.126 771 HA ILE 97 HA ILE 97 5.516 -2.064 5.191 772 HB ILE 97 HB ILE 97 2.696 -2.560 6.186 773 HG12 ILE 97 2HG1 ILE 97 3.278 -3.827 4.165 774 HG13 ILE 97 3HG1 ILE 97 2.117 -2.555 3.790 775 HG21 ILE 97 1HG2 ILE 97 3.820 -0.147 4.756 776 HG22 ILE 97 2HG2 ILE 97 3.230 -0.203 6.418 777 HG23 ILE 97 3HG2 ILE 97 2.111 -0.441 5.077 778 HD11 ILE 97 3HD1 ILE 97 3.833 -2.738 2.077 779 HD12 ILE 97 1HD1 ILE 97 5.086 -2.439 3.281 780 HD13 ILE 97 2HD1 ILE 97 3.916 -1.176 2.889 781 H THR 98 H THR 98 3.560 -2.558 8.161 782 HA THR 98 HA THR 98 5.409 -0.731 9.574 783 HB THR 98 HB THR 98 3.578 -0.056 11.047 784 HG1 THR 98 HG1 THR 98 1.457 -0.773 10.656 785 HG21 THR 98 3HG2 THR 98 2.231 1.241 9.459 786 HG22 THR 98 1HG2 THR 98 2.809 0.229 8.135 787 HG23 THR 98 2HG2 THR 98 3.936 1.265 9.012 788 H LYS 99 H LYS 99 6.526 -1.638 11.163 789 HA LYS 99 HA LYS 99 6.406 -4.297 11.951 790 HB2 LYS 99 2HB LYS 99 7.441 -1.920 13.519 791 HB3 LYS 99 3HB LYS 99 7.811 -3.601 13.880 792 HG2 LYS 99 2HG LYS 99 8.512 -2.219 11.292 793 HG3 LYS 99 3HG LYS 99 9.613 -2.416 12.657 794 HD2 LYS 99 2HD LYS 99 9.469 -4.834 12.463 795 HD3 LYS 99 3HD LYS 99 8.285 -4.686 11.166 796 HE2 LYS 99 2HE LYS 99 10.546 -5.181 10.325 797 HE3 LYS 99 3HE LYS 99 9.928 -3.639 9.732 798 HZ1 LYS 99 3HZ LYS 99 12.286 -3.607 10.480 799 HZ2 LYS 99 1HZ LYS 99 11.753 -3.887 12.061 800 HZ3 LYS 99 2HZ LYS 99 11.304 -2.470 11.252 801 H LYS 100 H LYS 100 4.616 -1.567 13.164 802 HA LYS 100 HA LYS 100 3.837 -2.579 15.669 803 HB2 LYS 100 2HB LYS 100 3.721 -0.192 14.907 804 HB3 LYS 100 3HB LYS 100 2.317 -0.622 13.936 805 HG2 LYS 100 2HG LYS 100 1.096 -1.246 15.959 806 HG3 LYS 100 3HG LYS 100 2.515 -0.855 16.938 807 HD2 LYS 100 2HD LYS 100 2.394 1.482 16.077 808 HD3 LYS 100 3HD LYS 100 0.896 1.059 15.245 809 HE2 LYS 100 2HE LYS 100 -0.133 0.497 17.402 810 HE3 LYS 100 3HE LYS 100 1.365 0.930 18.225 811 HZ1 LYS 100 3HZ LYS 100 1.109 3.188 17.314 812 HZ2 LYS 100 1HZ LYS 100 -0.155 2.752 18.346 813 HZ3 LYS 100 2HZ LYS 100 -0.387 2.745 16.672 814 H SER 101 H SER 101 2.362 -2.942 12.460 815 HA SER 101 HA SER 101 0.174 -4.521 13.661 816 HB2 SER 101 2HB SER 101 0.378 -3.271 10.906 817 HB3 SER 101 3HB SER 101 -0.984 -4.237 11.474 818 HG SER 101 HG SER 101 -0.165 -1.666 12.252 819 H GLY 102 H GLY 102 3.011 -4.845 11.742 820 HA2 GLY 102 2HA GLY 102 4.068 -6.679 10.849 821 HA3 GLY 102 3HA GLY 102 3.015 -7.658 11.854 822 H VAL 103 H VAL 103 2.552 -5.586 8.969 823 HA VAL 103 HA VAL 103 0.947 -7.756 7.773 824 HB VAL 103 HB VAL 103 0.941 -4.826 7.022 825 HG11 VAL 103 1HG1 VAL 103 -0.890 -7.099 6.234 826 HG12 VAL 103 2HG1 VAL 103 0.275 -6.287 5.188 827 HG13 VAL 103 3HG1 VAL 103 -1.120 -5.404 5.806 828 HG21 VAL 103 3HG2 VAL 103 -1.201 -4.692 8.198 829 HG22 VAL 103 1HG2 VAL 103 0.091 -5.167 9.300 830 HG23 VAL 103 2HG2 VAL 103 -1.043 -6.375 8.698 831 H VAL 104 H VAL 104 1.673 -8.779 6.004 832 HA VAL 104 HA VAL 104 4.050 -7.725 4.608 833 HB VAL 104 HB VAL 104 2.928 -10.536 4.484 834 HG11 VAL 104 1HG1 VAL 104 5.626 -9.428 3.684 835 HG12 VAL 104 2HG1 VAL 104 4.352 -9.967 2.590 836 HG13 VAL 104 3HG1 VAL 104 5.164 -11.129 3.640 837 HG21 VAL 104 3HG2 VAL 104 4.690 -11.173 6.070 838 HG22 VAL 104 1HG2 VAL 104 3.561 -10.023 6.784 839 HG23 VAL 104 2HG2 VAL 104 5.148 -9.479 6.241 840 H LEU 105 H LEU 105 4.158 -7.856 2.265 841 HA LEU 105 HA LEU 105 1.549 -7.468 0.992 842 HB2 LEU 105 2HB LEU 105 4.333 -6.946 -0.067 843 HB3 LEU 105 3HB LEU 105 2.840 -6.573 -0.912 844 HG LEU 105 HG LEU 105 3.829 -5.299 1.647 845 HD11 LEU 105 1HD1 LEU 105 3.922 -3.260 0.288 846 HD12 LEU 105 2HD1 LEU 105 3.442 -4.188 -1.135 847 HD13 LEU 105 3HD1 LEU 105 4.985 -4.520 -0.344 848 HD21 LEU 105 3HD2 LEU 105 1.384 -5.584 1.679 849 HD22 LEU 105 1HD2 LEU 105 1.272 -4.759 0.124 850 HD23 LEU 105 2HD2 LEU 105 1.848 -3.888 1.548 851 H LEU 106 H LEU 106 0.615 -9.243 0.190 852 HA LEU 106 HA LEU 106 2.128 -10.884 -1.707 853 HB2 LEU 106 2HB LEU 106 1.073 -12.968 -0.815 854 HB3 LEU 106 3HB LEU 106 2.282 -12.255 0.232 855 HG LEU 106 HG LEU 106 -0.658 -11.751 0.677 856 HD11 LEU 106 1HD1 LEU 106 0.975 -14.034 1.793 857 HD12 LEU 106 2HD1 LEU 106 -0.368 -14.169 0.655 858 HD13 LEU 106 3HD1 LEU 106 -0.657 -13.588 2.294 859 HD21 LEU 106 3HD2 LEU 106 0.886 -10.286 1.860 860 HD22 LEU 106 1HD2 LEU 106 1.747 -11.684 2.506 861 HD23 LEU 106 2HD2 LEU 106 0.079 -11.373 2.990 862 H ASN 107 H ASN 107 0.772 -12.096 -3.187 863 HA ASN 107 HA ASN 107 -0.753 -11.898 -4.885 864 HB2 ASN 107 2HB ASN 107 -3.065 -12.608 -4.104 865 HB3 ASN 107 3HB ASN 107 -1.729 -13.675 -3.703 866 HD21 ASN 107 1HD2 ASN 107 -4.011 -11.343 -2.418 867 HD22 ASN 107 2HD2 ASN 107 -3.820 -11.803 -0.772 868 HA PRO 108 HA PRO 108 -2.155 -7.522 -4.305 869 HB2 PRO 108 2HB PRO 108 -1.204 -6.588 -6.664 870 HB3 PRO 108 3HB PRO 108 -0.185 -6.747 -5.227 871 HG2 PRO 108 2HG PRO 108 -0.435 -8.587 -7.583 872 HG3 PRO 108 3HG PRO 108 1.029 -8.036 -6.747 873 HD2 PRO 108 2HD PRO 108 -0.104 -10.471 -6.294 874 HD3 PRO 108 3HD PRO 108 0.786 -9.578 -5.045 875 H ILE 109 H ILE 109 -3.847 -6.379 -5.366 876 HA ILE 109 HA ILE 109 -5.517 -8.037 -7.112 877 HB ILE 109 HB ILE 109 -6.152 -5.411 -5.741 878 HG12 ILE 109 2HG1 ILE 109 -5.793 -7.267 -4.149 879 HG13 ILE 109 3HG1 ILE 109 -7.478 -6.762 -4.176 880 HG21 ILE 109 1HG2 ILE 109 -7.955 -7.326 -7.230 881 HG22 ILE 109 2HG2 ILE 109 -7.505 -5.698 -7.737 882 HG23 ILE 109 3HG2 ILE 109 -8.501 -5.930 -6.300 883 HD11 ILE 109 3HD1 ILE 109 -7.274 -9.179 -4.072 884 HD12 ILE 109 1HD1 ILE 109 -6.338 -9.179 -5.567 885 HD13 ILE 109 2HD1 ILE 109 -8.031 -8.677 -5.585 886 HA PRO 110 HA PRO 110 -3.836 -5.593 -10.547 887 HB2 PRO 110 2HB PRO 110 -5.558 -7.320 -12.205 888 HB3 PRO 110 3HB PRO 110 -3.803 -7.129 -12.232 889 HG2 PRO 110 2HG PRO 110 -4.966 -9.369 -11.303 890 HG3 PRO 110 3HG PRO 110 -3.468 -8.730 -10.597 891 HD2 PRO 110 2HD PRO 110 -6.291 -8.489 -9.593 892 HD3 PRO 110 3HD PRO 110 -4.802 -8.846 -8.689 893 H LYS 111 H LYS 111 -4.701 -4.266 -12.302 894 HA LYS 111 HA LYS 111 -7.567 -3.637 -12.155 895 HB2 LYS 111 2HB LYS 111 -7.158 -1.250 -11.938 896 HB3 LYS 111 3HB LYS 111 -6.415 -2.099 -10.595 897 HG2 LYS 111 2HG LYS 111 -4.764 -0.595 -11.123 898 HG3 LYS 111 3HG LYS 111 -4.258 -1.988 -12.077 899 HD2 LYS 111 2HD LYS 111 -5.389 -0.987 -14.057 900 HD3 LYS 111 3HD LYS 111 -5.782 0.430 -13.083 901 HE2 LYS 111 2HE LYS 111 -2.995 -0.565 -13.697 902 HE3 LYS 111 3HE LYS 111 -3.800 0.778 -14.503 903 HZ1 LYS 111 3HZ LYS 111 -3.948 1.872 -12.303 904 HZ2 LYS 111 1HZ LYS 111 -2.362 1.640 -12.834 905 HZ3 LYS 111 2HZ LYS 111 -3.011 0.627 -11.648 906 H ASP 112 H ASP 112 -8.078 -1.874 -13.876 907 HA ASP 112 HA ASP 112 -6.245 -1.736 -16.111 908 HB2 ASP 112 2HB ASP 112 -7.680 -3.836 -16.430 909 HB3 ASP 112 3HB ASP 112 -9.043 -2.747 -16.659 910 H LYS 113 H LYS 113 -6.939 -0.082 -17.706 911 HA LYS 113 HA LYS 113 -8.301 2.054 -16.212 912 HB2 LYS 113 2HB LYS 113 -7.059 3.603 -17.809 913 HB3 LYS 113 3HB LYS 113 -6.107 2.753 -16.606 914 HG2 LYS 113 2HG LYS 113 -6.370 1.593 -19.350 915 HG3 LYS 113 3HG LYS 113 -5.279 2.952 -19.079 916 HD2 LYS 113 2HD LYS 113 -4.195 1.619 -17.253 917 HD3 LYS 113 3HD LYS 113 -5.197 0.248 -17.726 918 HE2 LYS 113 2HE LYS 113 -3.009 0.047 -18.741 919 HE3 LYS 113 3HE LYS 113 -4.213 0.347 -19.992 920 HZ1 LYS 113 3HZ LYS 113 -2.233 1.672 -20.335 921 HZ2 LYS 113 1HZ LYS 113 -2.400 2.378 -18.812 922 HZ3 LYS 113 2HZ LYS 113 -3.553 2.673 -20.012 923 H LYS 114 H LYS 114 -9.522 0.004 -18.189 924 HA LYS 114 HA LYS 114 -11.178 2.060 -19.528 925 HB2 LYS 114 2HB LYS 114 -11.009 -0.739 -20.626 926 HB3 LYS 114 3HB LYS 114 -11.533 0.733 -21.426 927 HG2 LYS 114 2HG LYS 114 -9.522 0.419 -22.449 928 HG3 LYS 114 3HG LYS 114 -9.005 1.420 -21.091 929 HD2 LYS 114 2HD LYS 114 -8.326 -0.550 -19.850 930 HD3 LYS 114 3HD LYS 114 -8.950 -1.601 -21.120 931 HE2 LYS 114 2HE LYS 114 -7.292 -0.557 -22.682 932 HE3 LYS 114 3HE LYS 114 -6.606 0.291 -21.295 933 HZ1 LYS 114 3HZ LYS 114 -6.800 -2.655 -21.601 934 HZ2 LYS 114 1HZ LYS 114 -6.147 -1.850 -20.268 935 HZ3 LYS 114 2HZ LYS 114 -5.395 -1.739 -21.778 936 H TRP 115 H TRP 115 -13.471 1.303 -19.887 937 HA TRP 115 HA TRP 115 -14.460 0.065 -17.464 938 HB2 TRP 115 2HB TRP 115 -15.968 1.096 -19.885 939 HB3 TRP 115 3HB TRP 115 -16.706 0.566 -18.377 940 HD1 TRP 115 HD1 TRP 115 -15.008 3.540 -19.978 941 HE1 TRP 115 HE1 TRP 115 -15.029 5.522 -18.339 942 HE3 TRP 115 HE3 TRP 115 -16.591 1.105 -15.758 943 HZ2 TRP 115 HZ2 TRP 115 -15.624 5.996 -15.626 944 HZ3 TRP 115 HZ3 TRP 115 -16.854 2.401 -13.681 945 HH2 TRP 115 HH2 TRP 115 -16.379 4.799 -13.618 946 H ILE 116 H ILE 116 -13.267 -1.969 -18.040 947 HA ILE 116 HA ILE 116 -14.782 -3.682 -19.909 948 HB ILE 116 HB ILE 116 -11.978 -4.083 -18.830 949 HG12 ILE 116 2HG1 ILE 116 -12.947 -3.250 -21.586 950 HG13 ILE 116 3HG1 ILE 116 -12.127 -2.208 -20.425 951 HG21 ILE 116 1HG2 ILE 116 -13.547 -5.672 -20.870 952 HG22 ILE 116 2HG2 ILE 116 -13.050 -6.218 -19.267 953 HG23 ILE 116 3HG2 ILE 116 -11.835 -5.898 -20.505 954 HD11 ILE 116 3HD1 ILE 116 -10.128 -3.622 -20.600 955 HD12 ILE 116 1HD1 ILE 116 -10.602 -2.923 -22.149 956 HD13 ILE 116 2HD1 ILE 116 -10.953 -4.616 -21.801 Start of MODEL 11 1 H1 MET 1 1H MET 1 10.385 -7.636 -39.935 2 H2 MET 1 2H MET 1 11.681 -6.711 -39.371 3 H3 MET 1 3H MET 1 11.001 -7.899 -38.378 4 HA MET 1 HA MET 1 11.717 -9.631 -39.896 5 HB2 MET 1 2HB MET 1 11.679 -8.289 -41.948 6 HB3 MET 1 3HB MET 1 13.039 -7.338 -41.368 7 HG2 MET 1 2HG MET 1 14.393 -9.452 -41.340 8 HG3 MET 1 3HG MET 1 13.038 -10.248 -42.142 9 HE1 MET 1 3HE MET 1 16.018 -10.206 -43.326 10 HE2 MET 1 1HE MET 1 15.669 -9.898 -45.027 11 HE3 MET 1 2HE MET 1 14.656 -11.012 -44.107 12 H GLY 2 H GLY 2 13.547 -6.763 -38.834 13 HA2 GLY 2 2HA GLY 2 15.947 -8.345 -38.371 14 HA3 GLY 2 3HA GLY 2 15.772 -6.617 -38.137 15 H HIS 3 H HIS 3 16.222 -6.117 -36.084 16 HA HIS 3 HA HIS 3 15.490 -8.036 -33.954 17 HB2 HIS 3 2HB HIS 3 17.642 -5.902 -33.879 18 HB3 HIS 3 3HB HIS 3 17.355 -7.153 -32.670 19 HD1 HIS 3 HD1 HIS 3 18.031 -9.609 -33.337 20 HD2 HIS 3 HD2 HIS 3 19.119 -6.686 -36.079 21 HE1 HIS 3 HE1 HIS 3 19.658 -10.717 -34.895 22 HE2 HIS 3 HE2 HIS 3 20.073 -9.005 -36.686 23 H HIS 4 H HIS 4 14.156 -7.411 -32.333 24 HA HIS 4 HA HIS 4 13.103 -4.662 -32.431 25 HB2 HIS 4 2HB HIS 4 11.945 -7.122 -31.091 26 HB3 HIS 4 3HB HIS 4 11.169 -5.547 -31.203 27 HD1 HIS 4 HD1 HIS 4 10.195 -4.870 -33.513 28 HD2 HIS 4 HD2 HIS 4 11.781 -8.706 -33.382 29 HE1 HIS 4 HE1 HIS 4 9.351 -6.011 -35.577 30 HE2 HIS 4 HE2 HIS 4 10.150 -8.387 -35.365 31 H HIS 5 H HIS 5 12.716 -3.476 -30.492 32 HA HIS 5 HA HIS 5 14.549 -4.086 -28.284 33 HB2 HIS 5 2HB HIS 5 14.464 -1.796 -29.305 34 HB3 HIS 5 3HB HIS 5 12.814 -1.630 -28.722 35 HD1 HIS 5 HD1 HIS 5 16.367 -1.777 -27.509 36 HD2 HIS 5 HD2 HIS 5 12.581 -0.927 -26.039 37 HE1 HIS 5 HE1 HIS 5 16.736 -0.818 -25.226 38 HE2 HIS 5 HE2 HIS 5 14.452 -0.143 -24.441 39 H HIS 6 H HIS 6 11.777 -5.349 -28.937 40 HA HIS 6 HA HIS 6 9.993 -4.548 -26.874 41 HB2 HIS 6 2HB HIS 6 9.203 -5.551 -28.967 42 HB3 HIS 6 3HB HIS 6 10.002 -7.066 -28.557 43 HD1 HIS 6 HD1 HIS 6 8.745 -8.675 -27.090 44 HD2 HIS 6 HD2 HIS 6 6.918 -4.949 -27.314 45 HE1 HIS 6 HE1 HIS 6 6.514 -8.953 -25.972 46 HE2 HIS 6 HE2 HIS 6 5.481 -6.662 -26.005 47 H HIS 7 H HIS 7 10.643 -4.774 -24.796 48 HA HIS 7 HA HIS 7 10.568 -7.412 -23.677 49 HB2 HIS 7 2HB HIS 7 12.741 -7.504 -22.652 50 HB3 HIS 7 3HB HIS 7 12.975 -7.237 -24.374 51 HD1 HIS 7 HD1 HIS 7 14.655 -6.381 -21.597 52 HD2 HIS 7 HD2 HIS 7 12.895 -4.005 -24.508 53 HE1 HIS 7 HE1 HIS 7 15.850 -4.185 -21.479 54 HE2 HIS 7 HE2 HIS 7 14.901 -2.835 -23.371 55 H HIS 8 H HIS 8 10.210 -7.399 -21.399 56 HA HIS 8 HA HIS 8 8.948 -4.921 -20.554 57 HB2 HIS 8 2HB HIS 8 8.031 -6.265 -18.698 58 HB3 HIS 8 3HB HIS 8 7.721 -6.998 -20.267 59 HD1 HIS 8 HD1 HIS 8 8.514 -9.345 -20.610 60 HD2 HIS 8 HD2 HIS 8 10.095 -7.632 -17.169 61 HE1 HIS 8 HE1 HIS 8 9.694 -11.207 -19.417 62 HE2 HIS 8 HE2 HIS 8 10.477 -10.190 -17.256 63 H SER 9 H SER 9 12.031 -6.113 -20.178 64 HA SER 9 HA SER 9 12.570 -5.597 -17.446 65 HB2 SER 9 2HB SER 9 14.517 -5.467 -19.764 66 HB3 SER 9 3HB SER 9 14.930 -5.659 -18.059 67 HG SER 9 HG SER 9 14.868 -7.702 -18.607 68 H HIS 10 H HIS 10 11.535 -3.592 -17.012 69 HA HIS 10 HA HIS 10 13.230 -1.362 -16.892 70 HB2 HIS 10 2HB HIS 10 12.855 -1.052 -19.264 71 HB3 HIS 10 3HB HIS 10 11.113 -1.198 -19.057 72 HD1 HIS 10 HD1 HIS 10 13.810 1.090 -17.595 73 HD2 HIS 10 HD2 HIS 10 9.967 1.246 -19.175 74 HE1 HIS 10 HE1 HIS 10 13.146 3.508 -17.518 75 HE2 HIS 10 HE2 HIS 10 10.778 3.561 -18.361 76 H MET 11 H MET 11 12.425 0.199 -15.478 77 HA MET 11 HA MET 11 10.353 -0.585 -13.751 78 HB2 MET 11 2HB MET 11 10.684 1.540 -12.625 79 HB3 MET 11 3HB MET 11 12.239 0.843 -13.057 80 HG2 MET 11 2HG MET 11 12.424 2.361 -14.946 81 HG3 MET 11 3HG MET 11 10.830 3.025 -14.593 82 HE1 MET 11 3HE MET 11 13.089 6.031 -13.614 83 HE2 MET 11 1HE MET 11 11.714 5.474 -14.569 84 HE3 MET 11 2HE MET 11 13.345 4.924 -14.963 85 H LYS 12 H LYS 12 8.239 -0.007 -13.526 86 HA LYS 12 HA LYS 12 7.030 1.673 -15.622 87 HB2 LYS 12 2HB LYS 12 5.909 -0.510 -13.871 88 HB3 LYS 12 3HB LYS 12 4.860 0.608 -14.726 89 HG2 LYS 12 2HG LYS 12 6.865 -1.249 -16.001 90 HG3 LYS 12 3HG LYS 12 5.117 -1.486 -15.944 91 HD2 LYS 12 2HD LYS 12 4.928 0.755 -17.151 92 HD3 LYS 12 3HD LYS 12 6.668 0.637 -17.430 93 HE2 LYS 12 2HE LYS 12 5.504 -0.191 -19.369 94 HE3 LYS 12 3HE LYS 12 6.290 -1.543 -18.557 95 HZ1 LYS 12 3HZ LYS 12 4.168 -2.124 -17.552 96 HZ2 LYS 12 1HZ LYS 12 4.043 -2.102 -19.239 97 HZ3 LYS 12 2HZ LYS 12 3.416 -0.823 -18.329 98 HA PRO 13 HA PRO 13 6.214 4.859 -12.593 99 HB2 PRO 13 2HB PRO 13 4.125 6.106 -13.846 100 HB3 PRO 13 3HB PRO 13 5.810 6.303 -14.339 101 HG2 PRO 13 2HG PRO 13 3.701 4.505 -15.482 102 HG3 PRO 13 3HG PRO 13 4.867 5.537 -16.332 103 HD2 PRO 13 2HD PRO 13 5.260 2.885 -16.064 104 HD3 PRO 13 3HD PRO 13 6.616 4.033 -16.016 105 H LEU 14 H LEU 14 4.229 5.811 -11.412 106 HA LEU 14 HA LEU 14 3.013 3.762 -9.940 107 HB2 LEU 14 2HB LEU 14 3.434 6.055 -9.119 108 HB3 LEU 14 3HB LEU 14 2.167 6.656 -10.172 109 HG LEU 14 HG LEU 14 0.489 5.370 -8.907 110 HD11 LEU 14 1HD1 LEU 14 1.898 3.507 -8.207 111 HD12 LEU 14 2HD1 LEU 14 1.087 4.249 -6.830 112 HD13 LEU 14 3HD1 LEU 14 2.794 4.579 -7.130 113 HD21 LEU 14 3HD2 LEU 14 2.246 7.109 -7.176 114 HD22 LEU 14 1HD2 LEU 14 0.573 6.664 -6.830 115 HD23 LEU 14 2HD2 LEU 14 0.947 7.659 -8.236 116 H ALA 15 H ALA 15 1.697 5.767 -12.566 117 HA ALA 15 HA ALA 15 -0.971 4.845 -12.390 118 HB1 ALA 15 3HB ALA 15 -0.339 6.921 -13.524 119 HB2 ALA 15 1HB ALA 15 -1.293 5.870 -14.570 120 HB3 ALA 15 2HB ALA 15 0.453 5.985 -14.792 121 H GLU 16 H GLU 16 1.804 3.257 -13.599 122 HA GLU 16 HA GLU 16 0.293 1.437 -15.323 123 HB2 GLU 16 2HB GLU 16 3.213 1.836 -14.728 124 HB3 GLU 16 3HB GLU 16 2.661 0.356 -15.501 125 HG2 GLU 16 2HG GLU 16 2.116 3.117 -16.583 126 HG3 GLU 16 3HG GLU 16 3.490 2.119 -17.059 127 H GLN 17 H GLN 17 1.284 1.636 -12.076 128 HA GLN 17 HA GLN 17 1.746 -1.118 -11.534 129 HB2 GLN 17 2HB GLN 17 0.982 1.122 -9.651 130 HB3 GLN 17 3HB GLN 17 1.618 -0.444 -9.169 131 HG2 GLN 17 2HG GLN 17 3.071 1.614 -10.830 132 HG3 GLN 17 3HG GLN 17 3.338 1.291 -9.118 133 HE21 GLN 17 1HE2 GLN 17 5.178 1.090 -11.407 134 HE22 GLN 17 2HE2 GLN 17 5.764 -0.534 -11.380 135 H ASP 18 H ASP 18 0.325 -2.719 -11.346 136 HA ASP 18 HA ASP 18 -2.439 -2.358 -11.730 137 HB2 ASP 18 2HB ASP 18 -0.740 -4.711 -10.973 138 HB3 ASP 18 3HB ASP 18 -2.493 -4.852 -11.000 139 H TRP 19 H TRP 19 -0.575 -2.709 -8.764 140 HA TRP 19 HA TRP 19 -2.872 -3.056 -7.087 141 HB2 TRP 19 2HB TRP 19 -1.161 -2.448 -5.239 142 HB3 TRP 19 3HB TRP 19 -0.940 -3.944 -6.136 143 HD1 TRP 19 HD1 TRP 19 1.284 -4.236 -7.466 144 HE1 TRP 19 HE1 TRP 19 3.408 -2.809 -7.746 145 HE3 TRP 19 HE3 TRP 19 -0.391 0.131 -5.404 146 HZ2 TRP 19 HZ2 TRP 19 4.265 -0.191 -7.157 147 HZ3 TRP 19 HZ3 TRP 19 1.147 2.051 -5.299 148 HH2 TRP 19 HH2 TRP 19 3.426 1.893 -6.157 149 H TYR 20 H TYR 20 -1.714 -0.367 -8.723 150 HA TYR 20 HA TYR 20 -2.724 1.560 -6.755 151 HB2 TYR 20 2HB TYR 20 -0.616 2.119 -7.857 152 HB3 TYR 20 3HB TYR 20 -1.376 1.977 -9.438 153 HD1 TYR 20 HD2 TYR 20 -1.789 3.867 -6.228 154 HD2 TYR 20 HD1 TYR 20 -2.094 3.936 -10.479 155 HE1 TYR 20 HE2 TYR 20 -2.373 6.250 -6.144 156 HE2 TYR 20 HE1 TYR 20 -2.678 6.324 -10.400 157 HH TYR 20 HH TYR 20 -2.259 8.234 -7.654 158 H HIS 21 H HIS 21 -4.822 2.113 -6.792 159 HA HIS 21 HA HIS 21 -6.349 1.694 -9.287 160 HB2 HIS 21 2HB HIS 21 -7.226 1.695 -6.397 161 HB3 HIS 21 3HB HIS 21 -8.358 1.685 -7.744 162 HD1 HIS 21 HD1 HIS 21 -9.221 -0.583 -8.125 163 HD2 HIS 21 HD2 HIS 21 -5.247 -0.660 -6.897 164 HE1 HIS 21 HE1 HIS 21 -8.584 -3.011 -8.051 165 HE2 HIS 21 HE2 HIS 21 -6.131 -3.022 -7.486 166 H GLY 22 H GLY 22 -4.971 4.221 -7.664 167 HA2 GLY 22 2HA GLY 22 -5.195 6.468 -8.435 168 HA3 GLY 22 3HA GLY 22 -6.856 6.125 -8.890 169 H ALA 23 H ALA 23 -7.820 7.821 -7.782 170 HA ALA 23 HA ALA 23 -7.346 8.040 -4.875 171 HB1 ALA 23 3HB ALA 23 -8.390 10.238 -5.043 172 HB2 ALA 23 1HB ALA 23 -8.743 9.958 -6.749 173 HB3 ALA 23 2HB ALA 23 -7.070 10.087 -6.202 174 H ILE 24 H ILE 24 -8.813 5.826 -5.585 175 HA ILE 24 HA ILE 24 -11.612 6.250 -5.801 176 HB ILE 24 HB ILE 24 -11.872 3.866 -5.474 177 HG12 ILE 24 2HG1 ILE 24 -8.934 3.803 -4.712 178 HG13 ILE 24 3HG1 ILE 24 -10.271 3.628 -3.579 179 HG21 ILE 24 1HG2 ILE 24 -11.051 4.661 -7.647 180 HG22 ILE 24 2HG2 ILE 24 -10.464 3.041 -7.274 181 HG23 ILE 24 3HG2 ILE 24 -9.389 4.429 -7.100 182 HD11 ILE 24 3HD1 ILE 24 -9.618 1.758 -5.847 183 HD12 ILE 24 1HD1 ILE 24 -10.968 1.586 -4.725 184 HD13 ILE 24 2HD1 ILE 24 -9.313 1.480 -4.132 185 HA PRO 25 HA PRO 25 -12.949 6.688 -1.579 186 HB2 PRO 25 2HB PRO 25 -15.323 5.377 -1.593 187 HB3 PRO 25 3HB PRO 25 -15.084 6.918 -2.428 188 HG2 PRO 25 2HG PRO 25 -15.030 4.131 -3.548 189 HG3 PRO 25 3HG PRO 25 -15.844 5.574 -4.188 190 HD2 PRO 25 2HD PRO 25 -13.469 4.720 -5.150 191 HD3 PRO 25 3HD PRO 25 -13.887 6.443 -5.071 192 H ARG 26 H ARG 26 -13.369 5.544 0.425 193 HA ARG 26 HA ARG 26 -11.732 3.317 0.841 194 HB2 ARG 26 2HB ARG 26 -12.365 4.882 2.627 195 HB3 ARG 26 3HB ARG 26 -14.024 4.307 2.556 196 HG2 ARG 26 2HG ARG 26 -13.353 2.123 3.347 197 HG3 ARG 26 3HG ARG 26 -11.652 2.590 3.289 198 HD2 ARG 26 2HD ARG 26 -12.504 2.682 5.575 199 HD3 ARG 26 3HD ARG 26 -12.052 4.286 5.006 200 HE ARG 26 HE ARG 26 -14.856 3.380 5.008 201 HH11 ARG 26 1HH1 ARG 26 -12.450 5.703 5.848 202 HH12 ARG 26 2HH1 ARG 26 -13.607 6.819 6.485 203 HH21 ARG 26 1HH2 ARG 26 -16.315 4.828 5.801 204 HH22 ARG 26 2HH2 ARG 26 -15.768 6.350 6.424 205 H ILE 27 H ILE 27 -15.142 3.495 0.017 206 HA ILE 27 HA ILE 27 -15.975 0.904 0.645 207 HB ILE 27 HB ILE 27 -16.818 2.624 -1.703 208 HG12 ILE 27 2HG1 ILE 27 -18.054 2.253 1.041 209 HG13 ILE 27 3HG1 ILE 27 -17.192 3.682 0.482 210 HG21 ILE 27 1HG2 ILE 27 -18.861 1.253 -1.758 211 HG22 ILE 27 2HG2 ILE 27 -18.174 0.193 -0.528 212 HG23 ILE 27 3HG2 ILE 27 -17.417 0.306 -2.117 213 HD11 ILE 27 3HD1 ILE 27 -19.781 2.630 -0.636 214 HD12 ILE 27 1HD1 ILE 27 -18.913 4.056 -1.209 215 HD13 ILE 27 2HD1 ILE 27 -19.586 4.027 0.422 216 H GLU 28 H GLU 28 -14.822 2.022 -2.583 217 HA GLU 28 HA GLU 28 -14.715 -0.535 -3.737 218 HB2 GLU 28 2HB GLU 28 -13.210 2.000 -4.418 219 HB3 GLU 28 3HB GLU 28 -13.098 0.535 -5.384 220 HG2 GLU 28 2HG GLU 28 -15.577 0.638 -5.692 221 HG3 GLU 28 3HG GLU 28 -15.555 2.206 -4.885 222 H ALA 29 H ALA 29 -12.418 1.172 -1.738 223 HA ALA 29 HA ALA 29 -10.140 -0.415 -2.266 224 HB1 ALA 29 3HB ALA 29 -10.017 1.784 -1.192 225 HB2 ALA 29 1HB ALA 29 -9.215 0.546 -0.225 226 HB3 ALA 29 2HB ALA 29 -10.813 1.130 0.239 227 H GLN 30 H GLN 30 -12.597 -0.649 0.331 228 HA GLN 30 HA GLN 30 -11.314 -2.983 1.457 229 HB2 GLN 30 2HB GLN 30 -13.117 -2.969 3.103 230 HB3 GLN 30 3HB GLN 30 -12.395 -1.374 2.938 231 HG2 GLN 30 2HG GLN 30 -14.260 -0.579 1.676 232 HG3 GLN 30 3HG GLN 30 -14.946 -2.198 1.567 233 HE21 GLN 30 1HE2 GLN 30 -16.865 -1.604 2.533 234 HE22 GLN 30 2HE2 GLN 30 -16.990 -1.198 4.206 235 H GLU 31 H GLU 31 -14.105 -2.410 -0.642 236 HA GLU 31 HA GLU 31 -15.379 -4.891 -0.288 237 HB2 GLU 31 2HB GLU 31 -15.359 -3.089 -2.716 238 HB3 GLU 31 3HB GLU 31 -16.442 -4.455 -2.501 239 HG2 GLU 31 2HG GLU 31 -16.332 -1.990 -0.773 240 HG3 GLU 31 3HG GLU 31 -17.551 -2.355 -1.988 241 H LEU 32 H LEU 32 -12.719 -3.983 -2.451 242 HA LEU 32 HA LEU 32 -12.740 -6.502 -3.842 243 HB2 LEU 32 2HB LEU 32 -10.745 -5.737 -4.959 244 HB3 LEU 32 3HB LEU 32 -11.925 -4.448 -4.907 245 HG LEU 32 HG LEU 32 -10.554 -3.631 -2.822 246 HD11 LEU 32 1HD1 LEU 32 -8.146 -4.122 -3.047 247 HD12 LEU 32 2HD1 LEU 32 -8.521 -5.333 -4.267 248 HD13 LEU 32 3HD1 LEU 32 -9.087 -5.543 -2.610 249 HD21 LEU 32 3HD2 LEU 32 -9.139 -2.287 -4.307 250 HD22 LEU 32 1HD2 LEU 32 -10.796 -2.381 -4.898 251 HD23 LEU 32 2HD2 LEU 32 -9.532 -3.356 -5.653 252 H LEU 33 H LEU 33 -11.430 -5.384 -0.885 253 HA LEU 33 HA LEU 33 -9.389 -7.407 -0.590 254 HB2 LEU 33 2HB LEU 33 -10.706 -5.628 1.483 255 HB3 LEU 33 3HB LEU 33 -9.254 -6.575 1.729 256 HG LEU 33 HG LEU 33 -9.526 -4.250 -0.185 257 HD11 LEU 33 1HD1 LEU 33 -8.078 -4.424 2.458 258 HD12 LEU 33 2HD1 LEU 33 -9.576 -3.544 2.154 259 HD13 LEU 33 3HD1 LEU 33 -8.085 -3.043 1.361 260 HD21 LEU 33 3HD2 LEU 33 -7.096 -5.871 0.574 261 HD22 LEU 33 1HD2 LEU 33 -7.105 -4.432 -0.446 262 HD23 LEU 33 2HD2 LEU 33 -7.919 -5.899 -0.986 263 H LYS 34 H LYS 34 -10.029 -9.531 -0.419 264 HA LYS 34 HA LYS 34 -12.081 -10.191 1.556 265 HB2 LYS 34 2HB LYS 34 -13.310 -11.637 -0.085 266 HB3 LYS 34 3HB LYS 34 -13.463 -9.906 -0.341 267 HG2 LYS 34 2HG LYS 34 -11.642 -10.116 -2.078 268 HG3 LYS 34 3HG LYS 34 -11.817 -11.865 -1.927 269 HD2 LYS 34 2HD LYS 34 -14.024 -9.940 -2.679 270 HD3 LYS 34 3HD LYS 34 -13.121 -10.949 -3.809 271 HE2 LYS 34 2HE LYS 34 -14.812 -11.994 -1.534 272 HE3 LYS 34 3HE LYS 34 -15.333 -11.894 -3.215 273 HZ1 LYS 34 3HZ LYS 34 -13.589 -13.414 -3.835 274 HZ2 LYS 34 1HZ LYS 34 -14.535 -14.108 -2.621 275 HZ3 LYS 34 2HZ LYS 34 -13.013 -13.476 -2.250 276 H LYS 35 H LYS 35 -9.090 -10.865 0.511 277 HA LYS 35 HA LYS 35 -9.205 -13.408 1.966 278 HB2 LYS 35 2HB LYS 35 -8.044 -14.701 0.408 279 HB3 LYS 35 3HB LYS 35 -9.133 -13.773 -0.613 280 HG2 LYS 35 2HG LYS 35 -7.236 -12.166 -0.998 281 HG3 LYS 35 3HG LYS 35 -6.185 -13.318 -0.180 282 HD2 LYS 35 2HD LYS 35 -5.921 -13.819 -2.457 283 HD3 LYS 35 3HD LYS 35 -7.064 -15.037 -1.884 284 HE2 LYS 35 2HE LYS 35 -7.838 -14.159 -3.995 285 HE3 LYS 35 3HE LYS 35 -8.924 -13.614 -2.718 286 HZ1 LYS 35 3HZ LYS 35 -8.492 -11.760 -4.095 287 HZ2 LYS 35 1HZ LYS 35 -6.822 -12.042 -4.094 288 HZ3 LYS 35 2HZ LYS 35 -7.591 -11.512 -2.688 289 H GLN 36 H GLN 36 -7.314 -13.846 3.194 290 HA GLN 36 HA GLN 36 -6.026 -11.602 4.212 291 HB2 GLN 36 2HB GLN 36 -6.151 -13.677 5.479 292 HB3 GLN 36 3HB GLN 36 -5.092 -14.478 4.323 293 HG2 GLN 36 2HG GLN 36 -3.272 -12.940 4.934 294 HG3 GLN 36 3HG GLN 36 -4.335 -12.157 6.101 295 HE21 GLN 36 1HE2 GLN 36 -4.809 -13.207 8.020 296 HE22 GLN 36 2HE2 GLN 36 -3.931 -14.580 8.556 297 H GLY 37 H GLY 37 -4.717 -10.262 3.174 298 HA2 GLY 37 2HA GLY 37 -2.261 -10.221 2.536 299 HA3 GLY 37 3HA GLY 37 -2.725 -11.380 1.300 300 H ASP 38 H ASP 38 -5.260 -10.060 0.678 301 HA ASP 38 HA ASP 38 -4.510 -8.639 -1.545 302 HB2 ASP 38 2HB ASP 38 -7.038 -8.257 0.084 303 HB3 ASP 38 3HB ASP 38 -6.810 -7.679 -1.561 304 H PHE 39 H PHE 39 -3.585 -6.686 -1.886 305 HA PHE 39 HA PHE 39 -4.235 -4.483 -0.052 306 HB2 PHE 39 2HB PHE 39 -1.964 -3.781 0.204 307 HB3 PHE 39 3HB PHE 39 -2.018 -5.493 0.598 308 HD1 PHE 39 HD1 PHE 39 -1.106 -7.158 -1.015 309 HD2 PHE 39 HD2 PHE 39 -0.650 -2.967 -1.614 310 HE1 PHE 39 HE1 PHE 39 0.705 -7.586 -2.627 311 HE2 PHE 39 HE2 PHE 39 1.156 -3.388 -3.228 312 HZ PHE 39 HZ PHE 39 1.837 -5.700 -3.737 313 H LEU 40 H LEU 40 -4.172 -2.422 -0.936 314 HA LEU 40 HA LEU 40 -3.214 -2.061 -3.673 315 HB2 LEU 40 2HB LEU 40 -5.192 -1.017 -4.498 316 HB3 LEU 40 3HB LEU 40 -5.663 -2.576 -3.849 317 HG LEU 40 HG LEU 40 -5.944 -0.078 -2.190 318 HD11 LEU 40 1HD1 LEU 40 -8.253 0.119 -2.977 319 HD12 LEU 40 2HD1 LEU 40 -7.949 -1.141 -4.175 320 HD13 LEU 40 3HD1 LEU 40 -7.088 0.397 -4.272 321 HD21 LEU 40 3HD2 LEU 40 -7.677 -1.357 -1.072 322 HD22 LEU 40 1HD2 LEU 40 -6.165 -2.266 -1.083 323 HD23 LEU 40 2HD2 LEU 40 -7.459 -2.688 -2.204 324 H VAL 41 H VAL 41 -2.520 0.031 -4.118 325 HA VAL 41 HA VAL 41 -2.522 1.900 -1.836 326 HB VAL 41 HB VAL 41 -0.732 1.873 -4.287 327 HG11 VAL 41 1HG1 VAL 41 -1.129 4.159 -3.483 328 HG12 VAL 41 2HG1 VAL 41 0.532 3.653 -3.171 329 HG13 VAL 41 3HG1 VAL 41 -0.644 3.675 -1.857 330 HG21 VAL 41 3HG2 VAL 41 1.045 1.259 -2.698 331 HG22 VAL 41 1HG2 VAL 41 -0.239 0.049 -2.738 332 HG23 VAL 41 2HG2 VAL 41 -0.146 1.192 -1.398 333 H ARG 42 H ARG 42 -3.674 3.718 -1.932 334 HA ARG 42 HA ARG 42 -4.473 4.820 -4.543 335 HB2 ARG 42 2HB ARG 42 -6.765 4.964 -3.949 336 HB3 ARG 42 3HB ARG 42 -6.287 3.330 -3.510 337 HG2 ARG 42 2HG ARG 42 -5.996 4.111 -1.158 338 HG3 ARG 42 3HG ARG 42 -6.642 5.677 -1.649 339 HD2 ARG 42 2HD ARG 42 -8.652 4.284 -2.531 340 HD3 ARG 42 3HD ARG 42 -8.031 3.027 -1.458 341 HE ARG 42 HE ARG 42 -9.123 5.623 -0.669 342 HH11 ARG 42 1HH1 ARG 42 -7.876 2.559 0.257 343 HH12 ARG 42 2HH1 ARG 42 -8.422 2.707 1.886 344 HH21 ARG 42 1HH2 ARG 42 -9.829 5.816 1.398 345 HH22 ARG 42 2HH2 ARG 42 -9.516 4.549 2.537 346 H GLU 43 H GLU 43 -5.059 7.123 -4.423 347 HA GLU 43 HA GLU 43 -3.828 8.553 -2.221 348 HB2 GLU 43 2HB GLU 43 -3.773 9.469 -4.547 349 HB3 GLU 43 3HB GLU 43 -5.522 9.656 -4.488 350 HG2 GLU 43 2HG GLU 43 -5.129 11.134 -2.434 351 HG3 GLU 43 3HG GLU 43 -3.431 11.127 -2.896 352 H SER 44 H SER 44 -4.932 9.677 -0.571 353 HA SER 44 HA SER 44 -7.529 8.791 0.153 354 HB2 SER 44 2HB SER 44 -6.003 9.689 1.844 355 HB3 SER 44 3HB SER 44 -6.022 11.266 1.064 356 HG SER 44 HG SER 44 -8.043 11.620 1.760 357 H HIS 45 H HIS 45 -9.455 9.367 -0.663 358 HA HIS 45 HA HIS 45 -9.750 10.718 -3.014 359 HB2 HIS 45 2HB HIS 45 -11.450 9.228 -2.064 360 HB3 HIS 45 3HB HIS 45 -11.841 10.441 -0.851 361 HD1 HIS 45 HD1 HIS 45 -13.547 12.155 -1.465 362 HD2 HIS 45 HD2 HIS 45 -12.185 10.037 -4.773 363 HE1 HIS 45 HE1 HIS 45 -15.011 12.872 -3.370 364 HE2 HIS 45 HE2 HIS 45 -14.310 11.418 -5.297 365 H GLY 46 H GLY 46 -8.860 12.706 -3.269 366 HA2 GLY 46 2HA GLY 46 -9.192 15.027 -3.446 367 HA3 GLY 46 3HA GLY 46 -10.308 14.958 -2.092 368 H LYS 47 H LYS 47 -7.084 13.545 -2.003 369 HA LYS 47 HA LYS 47 -6.197 15.705 -0.189 370 HB2 LYS 47 2HB LYS 47 -6.998 13.565 0.959 371 HB3 LYS 47 3HB LYS 47 -5.600 12.777 0.247 372 HG2 LYS 47 2HG LYS 47 -5.165 13.382 2.548 373 HG3 LYS 47 3HG LYS 47 -4.117 14.302 1.463 374 HD2 LYS 47 2HD LYS 47 -5.330 16.288 1.794 375 HD3 LYS 47 3HD LYS 47 -6.731 15.431 2.440 376 HE2 LYS 47 2HE LYS 47 -5.388 16.654 4.154 377 HE3 LYS 47 3HE LYS 47 -5.591 14.934 4.476 378 HZ1 LYS 47 3HZ LYS 47 -3.321 15.733 4.871 379 HZ2 LYS 47 1HZ LYS 47 -3.176 16.146 3.237 380 HZ3 LYS 47 2HZ LYS 47 -3.376 14.526 3.692 381 HA PRO 48 HA PRO 48 -3.339 15.153 -3.827 382 HB2 PRO 48 2HB PRO 48 -2.594 17.890 -2.886 383 HB3 PRO 48 3HB PRO 48 -2.902 17.305 -4.525 384 HG2 PRO 48 2HG PRO 48 -4.722 18.775 -3.263 385 HG3 PRO 48 3HG PRO 48 -5.213 17.393 -4.263 386 HD2 PRO 48 2HD PRO 48 -5.033 17.611 -1.281 387 HD3 PRO 48 3HD PRO 48 -6.251 16.790 -2.280 388 H GLY 49 H GLY 49 -1.627 13.905 -3.425 389 HA2 GLY 49 2HA GLY 49 0.625 13.557 -2.937 390 HA3 GLY 49 3HA GLY 49 0.638 15.053 -2.021 391 H GLU 50 H GLU 50 -1.840 12.772 -1.196 392 HA GLU 50 HA GLU 50 -0.128 11.497 0.821 393 HB2 GLU 50 2HB GLU 50 -1.251 13.412 1.920 394 HB3 GLU 50 3HB GLU 50 -2.812 12.742 1.475 395 HG2 GLU 50 2HG GLU 50 -2.549 10.897 2.930 396 HG3 GLU 50 3HG GLU 50 -0.834 11.228 3.162 397 H TYR 51 H TYR 51 -0.206 9.434 0.273 398 HA TYR 51 HA TYR 51 -2.672 8.292 -0.837 399 HB2 TYR 51 2HB TYR 51 0.199 7.342 -0.916 400 HB3 TYR 51 3HB TYR 51 -1.154 6.405 -1.541 401 HD1 TYR 51 HD2 TYR 51 0.257 9.871 -1.867 402 HD2 TYR 51 HD1 TYR 51 -1.552 6.538 -3.809 403 HE1 TYR 51 HE2 TYR 51 0.467 11.021 -4.032 404 HE2 TYR 51 HE1 TYR 51 -1.341 7.679 -5.974 405 HH TYR 51 HH TYR 51 0.587 10.411 -6.432 406 H VAL 52 H VAL 52 -3.689 6.544 0.036 407 HA VAL 52 HA VAL 52 -2.707 5.557 2.640 408 HB VAL 52 HB VAL 52 -5.569 5.673 1.646 409 HG11 VAL 52 1HG1 VAL 52 -4.464 4.844 4.339 410 HG12 VAL 52 2HG1 VAL 52 -5.204 3.780 3.142 411 HG13 VAL 52 3HG1 VAL 52 -6.174 5.017 3.942 412 HG21 VAL 52 3HG2 VAL 52 -4.157 7.353 3.731 413 HG22 VAL 52 1HG2 VAL 52 -5.880 7.415 3.357 414 HG23 VAL 52 2HG2 VAL 52 -4.697 7.901 2.143 415 H LEU 53 H LEU 53 -2.065 3.515 2.685 416 HA LEU 53 HA LEU 53 -2.732 1.637 0.570 417 HB2 LEU 53 2HB LEU 53 -0.451 1.663 1.360 418 HB3 LEU 53 3HB LEU 53 -0.973 1.451 3.021 419 HG LEU 53 HG LEU 53 -1.793 -0.830 2.439 420 HD11 LEU 53 1HD1 LEU 53 -2.171 -0.498 0.053 421 HD12 LEU 53 2HD1 LEU 53 -1.096 -1.864 0.346 422 HD13 LEU 53 3HD1 LEU 53 -0.436 -0.323 -0.209 423 HD21 LEU 53 3HD2 LEU 53 0.422 -1.864 2.300 424 HD22 LEU 53 1HD2 LEU 53 0.401 -0.523 3.447 425 HD23 LEU 53 2HD2 LEU 53 1.122 -0.307 1.850 426 H SER 54 H SER 54 -4.249 0.067 0.712 427 HA SER 54 HA SER 54 -5.442 -0.478 3.364 428 HB2 SER 54 2HB SER 54 -6.868 -0.228 0.697 429 HB3 SER 54 3HB SER 54 -7.630 -0.821 2.176 430 HG SER 54 HG SER 54 -6.332 1.697 1.990 431 H VAL 55 H VAL 55 -5.335 -2.537 3.995 432 HA VAL 55 HA VAL 55 -4.957 -4.658 1.987 433 HB VAL 55 HB VAL 55 -2.725 -4.035 2.623 434 HG11 VAL 55 1HG1 VAL 55 -1.924 -4.052 4.921 435 HG12 VAL 55 2HG1 VAL 55 -3.540 -4.460 5.500 436 HG13 VAL 55 3HG1 VAL 55 -3.247 -2.901 4.728 437 HG21 VAL 55 3HG2 VAL 55 -3.499 -6.589 4.049 438 HG22 VAL 55 1HG2 VAL 55 -1.869 -6.143 3.547 439 HG23 VAL 55 2HG2 VAL 55 -3.117 -6.435 2.334 440 H TYR 56 H TYR 56 -5.498 -6.763 2.654 441 HA TYR 56 HA TYR 56 -7.518 -6.835 4.778 442 HB2 TYR 56 2HB TYR 56 -7.948 -7.574 2.376 443 HB3 TYR 56 3HB TYR 56 -6.916 -8.955 2.708 444 HD1 TYR 56 HD1 TYR 56 -10.164 -7.400 3.356 445 HD2 TYR 56 HD2 TYR 56 -7.688 -10.759 4.176 446 HE1 TYR 56 HE1 TYR 56 -12.118 -8.626 4.196 447 HE2 TYR 56 HE2 TYR 56 -9.636 -11.995 5.023 448 HH TYR 56 HH TYR 56 -12.813 -11.003 4.489 449 H SER 57 H SER 57 -6.818 -7.496 6.746 450 HA SER 57 HA SER 57 -4.910 -9.762 6.895 451 HB2 SER 57 2HB SER 57 -3.729 -7.698 7.476 452 HB3 SER 57 3HB SER 57 -4.965 -7.297 8.667 453 HG SER 57 HG SER 57 -3.140 -9.476 8.721 454 H ASP 58 H ASP 58 -5.840 -11.460 7.781 455 HA ASP 58 HA ASP 58 -6.972 -12.840 9.176 456 HB2 ASP 58 2HB ASP 58 -6.950 -10.500 11.095 457 HB3 ASP 58 3HB ASP 58 -7.222 -12.187 11.513 458 H GLY 59 H GLY 59 -8.491 -10.553 7.587 459 HA2 GLY 59 2HA GLY 59 -10.891 -10.890 7.150 460 HA3 GLY 59 3HA GLY 59 -11.116 -11.020 8.886 461 H GLN 60 H GLN 60 -9.091 -8.742 9.139 462 HA GLN 60 HA GLN 60 -11.070 -6.580 8.922 463 HB2 GLN 60 2HB GLN 60 -8.403 -6.597 10.357 464 HB3 GLN 60 3HB GLN 60 -9.698 -5.422 10.549 465 HG2 GLN 60 2HG GLN 60 -11.102 -7.032 11.621 466 HG3 GLN 60 3HG GLN 60 -9.987 -8.342 11.231 467 HE21 GLN 60 1HE2 GLN 60 -10.577 -5.610 13.304 468 HE22 GLN 60 2HE2 GLN 60 -9.347 -5.982 14.460 469 H ARG 61 H ARG 61 -10.720 -4.722 7.668 470 HA ARG 61 HA ARG 61 -8.454 -4.858 5.816 471 HB2 ARG 61 2HB ARG 61 -10.890 -3.059 5.811 472 HB3 ARG 61 3HB ARG 61 -9.607 -2.998 4.611 473 HG2 ARG 61 2HG ARG 61 -11.232 -4.272 3.567 474 HG3 ARG 61 3HG ARG 61 -10.143 -5.495 4.218 475 HD2 ARG 61 2HD ARG 61 -12.429 -6.158 4.632 476 HD3 ARG 61 3HD ARG 61 -11.664 -5.746 6.169 477 HE ARG 61 HE ARG 61 -12.799 -3.489 5.797 478 HH11 ARG 61 1HH1 ARG 61 -14.132 -6.526 4.872 479 HH12 ARG 61 2HH1 ARG 61 -15.756 -5.935 4.860 480 HH21 ARG 61 1HH2 ARG 61 -14.890 -2.740 5.787 481 HH22 ARG 61 2HH2 ARG 61 -16.180 -3.819 5.391 482 H ARG 62 H ARG 62 -6.639 -4.050 6.614 483 HA ARG 62 HA ARG 62 -6.575 -1.879 8.514 484 HB2 ARG 62 2HB ARG 62 -4.275 -3.254 7.098 485 HB3 ARG 62 3HB ARG 62 -4.167 -2.255 8.542 486 HG2 ARG 62 2HG ARG 62 -5.639 -4.884 8.363 487 HG3 ARG 62 3HG ARG 62 -4.017 -4.666 9.024 488 HD2 ARG 62 2HD ARG 62 -6.465 -3.249 10.083 489 HD3 ARG 62 3HD ARG 62 -5.855 -4.767 10.734 490 HE ARG 62 HE ARG 62 -3.718 -3.431 11.115 491 HH11 ARG 62 1HH1 ARG 62 -6.864 -2.017 11.216 492 HH12 ARG 62 2HH1 ARG 62 -6.404 -0.823 12.379 493 HH21 ARG 62 1HH2 ARG 62 -3.148 -1.906 12.610 494 HH22 ARG 62 2HH2 ARG 62 -4.323 -0.767 13.169 495 H HIS 63 H HIS 63 -5.468 0.141 8.199 496 HA HIS 63 HA HIS 63 -5.063 0.965 5.402 497 HB2 HIS 63 2HB HIS 63 -6.602 2.645 7.399 498 HB3 HIS 63 3HB HIS 63 -6.347 2.987 5.691 499 HD1 HIS 63 HD1 HIS 63 -7.480 1.094 4.039 500 HD2 HIS 63 HD2 HIS 63 -8.956 1.394 7.910 501 HE1 HIS 63 HE1 HIS 63 -9.722 -0.028 3.991 502 HE2 HIS 63 HE2 HIS 63 -10.546 0.065 6.363 503 H PHE 64 H PHE 64 -3.061 1.777 5.223 504 HA PHE 64 HA PHE 64 -1.892 3.234 7.520 505 HB2 PHE 64 2HB PHE 64 -0.397 1.695 5.377 506 HB3 PHE 64 3HB PHE 64 0.306 2.469 6.795 507 HD1 PHE 64 HD2 PHE 64 -0.610 1.632 9.102 508 HD2 PHE 64 HD1 PHE 64 -0.911 -0.561 5.459 509 HE1 PHE 64 HE2 PHE 64 -0.908 -0.451 10.378 510 HE2 PHE 64 HE1 PHE 64 -1.214 -2.641 6.733 511 HZ PHE 64 HZ PHE 64 -1.208 -2.589 9.197 512 H ILE 65 H ILE 65 -0.942 5.224 7.136 513 HA ILE 65 HA ILE 65 -1.519 6.392 4.494 514 HB ILE 65 HB ILE 65 -0.896 7.816 7.095 515 HG12 ILE 65 2HG1 ILE 65 -3.561 7.331 5.720 516 HG13 ILE 65 3HG1 ILE 65 -3.024 6.575 7.216 517 HG21 ILE 65 1HG2 ILE 65 -0.322 9.142 5.127 518 HG22 ILE 65 2HG2 ILE 65 -1.738 9.815 5.935 519 HG23 ILE 65 3HG2 ILE 65 -1.932 8.872 4.457 520 HD11 ILE 65 3HD1 ILE 65 -3.549 9.512 6.809 521 HD12 ILE 65 1HD1 ILE 65 -3.002 8.761 8.309 522 HD13 ILE 65 2HD1 ILE 65 -4.591 8.366 7.653 523 H ILE 66 H ILE 66 0.036 7.286 3.212 524 HA ILE 66 HA ILE 66 2.827 6.790 3.901 525 HB ILE 66 HB ILE 66 1.650 7.884 1.331 526 HG12 ILE 66 2HG1 ILE 66 2.495 5.065 2.062 527 HG13 ILE 66 3HG1 ILE 66 0.852 5.615 1.746 528 HG21 ILE 66 1HG2 ILE 66 4.410 6.804 1.920 529 HG22 ILE 66 2HG2 ILE 66 3.996 8.498 1.649 530 HG23 ILE 66 3HG2 ILE 66 3.821 7.327 0.342 531 HD11 ILE 66 3HD1 ILE 66 1.472 6.095 -0.577 532 HD12 ILE 66 1HD1 ILE 66 1.737 4.403 -0.152 533 HD13 ILE 66 2HD1 ILE 66 3.105 5.511 -0.249 534 H GLN 67 H GLN 67 4.003 8.339 4.891 535 HA GLN 67 HA GLN 67 3.243 11.148 4.611 536 HB2 GLN 67 2HB GLN 67 5.310 9.808 6.369 537 HB3 GLN 67 3HB GLN 67 5.051 11.547 6.313 538 HG2 GLN 67 2HG GLN 67 3.870 10.758 8.195 539 HG3 GLN 67 3HG GLN 67 2.657 11.110 6.963 540 HE21 GLN 67 1HE2 GLN 67 1.113 9.721 7.707 541 HE22 GLN 67 2HE2 GLN 67 1.293 8.003 7.688 542 H TYR 68 H TYR 68 4.316 12.629 3.445 543 HA TYR 68 HA TYR 68 6.462 11.713 1.695 544 HB2 TYR 68 2HB TYR 68 4.402 13.018 0.939 545 HB3 TYR 68 3HB TYR 68 5.115 14.423 1.717 546 HD1 TYR 68 HD1 TYR 68 6.268 11.728 -0.614 547 HD2 TYR 68 HD2 TYR 68 6.123 15.905 0.231 548 HE1 TYR 68 HE1 TYR 68 7.475 12.190 -2.701 549 HE2 TYR 68 HE2 TYR 68 7.342 16.372 -1.854 550 HH TYR 68 HH TYR 68 8.791 15.272 -3.445 551 H VAL 69 H VAL 69 8.361 11.683 2.849 552 HA VAL 69 HA VAL 69 9.264 14.228 4.061 553 HB VAL 69 HB VAL 69 9.909 11.486 5.177 554 HG11 VAL 69 1HG1 VAL 69 10.698 12.758 7.133 555 HG12 VAL 69 2HG1 VAL 69 10.359 14.262 6.276 556 HG13 VAL 69 3HG1 VAL 69 11.596 13.159 5.670 557 HG21 VAL 69 3HG2 VAL 69 7.504 11.976 5.433 558 HG22 VAL 69 1HG2 VAL 69 7.911 13.488 6.247 559 HG23 VAL 69 2HG2 VAL 69 8.344 11.944 6.984 560 H ASP 70 H ASP 70 11.430 14.779 3.732 561 HA ASP 70 HA ASP 70 13.350 14.965 2.523 562 HB2 ASP 70 2HB ASP 70 13.221 11.938 2.664 563 HB3 ASP 70 3HB ASP 70 14.591 12.822 1.997 564 H ASN 71 H ASN 71 10.741 14.858 1.160 565 HA ASN 71 HA ASN 71 9.787 14.753 -0.896 566 HB2 ASN 71 2HB ASN 71 12.659 14.605 -1.853 567 HB3 ASN 71 3HB ASN 71 11.264 14.876 -2.895 568 HD21 ASN 71 1HD2 ASN 71 13.314 16.248 -0.451 569 HD22 ASN 71 2HD2 ASN 71 12.762 17.874 -0.625 570 H MET 72 H MET 72 10.625 12.271 0.643 571 HA MET 72 HA MET 72 10.265 10.318 -1.543 572 HB2 MET 72 2HB MET 72 11.718 9.900 1.082 573 HB3 MET 72 3HB MET 72 11.503 8.692 -0.178 574 HG2 MET 72 2HG MET 72 12.839 10.055 -1.713 575 HG3 MET 72 3HG MET 72 13.053 11.261 -0.447 576 HE1 MET 72 3HE MET 72 15.691 11.178 -0.699 577 HE2 MET 72 1HE MET 72 15.486 10.021 -2.018 578 HE3 MET 72 2HE MET 72 16.617 9.678 -0.709 579 H TYR 73 H TYR 73 8.925 8.512 -1.105 580 HA TYR 73 HA TYR 73 6.774 9.077 0.784 581 HB2 TYR 73 2HB TYR 73 6.986 6.831 -1.244 582 HB3 TYR 73 3HB TYR 73 5.527 7.385 -0.424 583 HD1 TYR 73 HD2 TYR 73 4.433 9.479 -1.105 584 HD2 TYR 73 HD1 TYR 73 7.915 8.059 -3.112 585 HE1 TYR 73 HE2 TYR 73 4.001 11.039 -2.957 586 HE2 TYR 73 HE1 TYR 73 7.493 9.614 -4.964 587 HH TYR 73 HH TYR 73 5.780 10.899 -5.941 588 H ARG 74 H ARG 74 6.430 7.959 2.668 589 HA ARG 74 HA ARG 74 7.720 5.373 3.088 590 HB2 ARG 74 2HB ARG 74 8.902 6.067 5.094 591 HB3 ARG 74 3HB ARG 74 9.432 7.029 3.721 592 HG2 ARG 74 2HG ARG 74 7.866 8.831 4.484 593 HG3 ARG 74 3HG ARG 74 7.581 7.877 5.941 594 HD2 ARG 74 2HD ARG 74 9.252 9.493 6.471 595 HD3 ARG 74 3HD ARG 74 10.062 7.932 6.350 596 HE ARG 74 HE ARG 74 10.093 9.474 3.917 597 HH11 ARG 74 1HH1 ARG 74 11.738 8.831 6.879 598 HH12 ARG 74 2HH1 ARG 74 13.251 9.427 6.283 599 HH21 ARG 74 1HH2 ARG 74 12.045 10.283 3.206 600 HH22 ARG 74 2HH2 ARG 74 13.418 10.244 4.260 601 H PHE 75 H PHE 75 6.844 4.138 4.764 602 HA PHE 75 HA PHE 75 4.349 5.132 5.976 603 HB2 PHE 75 2HB PHE 75 5.472 2.328 5.736 604 HB3 PHE 75 3HB PHE 75 3.995 2.721 6.603 605 HD1 PHE 75 HD1 PHE 75 1.978 3.365 5.398 606 HD2 PHE 75 HD2 PHE 75 5.540 2.284 3.326 607 HE1 PHE 75 HE1 PHE 75 0.678 3.038 3.340 608 HE2 PHE 75 HE2 PHE 75 4.240 1.960 1.262 609 HZ PHE 75 HZ PHE 75 1.805 2.334 1.269 610 H GLU 76 H GLU 76 6.713 2.756 7.146 611 HA GLU 76 HA GLU 76 6.433 3.676 9.868 612 HB2 GLU 76 2HB GLU 76 6.593 1.271 9.245 613 HB3 GLU 76 3HB GLU 76 8.242 1.541 8.701 614 HG2 GLU 76 2HG GLU 76 8.308 0.540 10.868 615 HG3 GLU 76 3HG GLU 76 8.840 2.212 11.015 616 H GLY 77 H GLY 77 8.937 3.701 7.385 617 HA2 GLY 77 2HA GLY 77 10.269 5.989 8.273 618 HA3 GLY 77 3HA GLY 77 11.082 4.609 8.999 619 H THR 78 H THR 78 10.856 2.753 6.939 620 HA THR 78 HA THR 78 12.898 3.399 5.131 621 HB THR 78 HB THR 78 10.719 1.344 4.655 622 HG1 THR 78 HG1 THR 78 13.188 0.902 6.017 623 HG21 THR 78 3HG2 THR 78 12.188 1.736 2.736 624 HG22 THR 78 1HG2 THR 78 12.478 0.142 3.433 625 HG23 THR 78 2HG2 THR 78 13.603 1.462 3.753 626 H GLY 79 H GLY 79 12.837 4.872 3.513 627 HA2 GLY 79 2HA GLY 79 10.241 5.346 2.158 628 HA3 GLY 79 3HA GLY 79 11.286 6.661 2.662 629 H PHE 80 H PHE 80 10.211 5.697 0.004 630 HA PHE 80 HA PHE 80 12.787 5.824 -1.441 631 HB2 PHE 80 2HB PHE 80 10.338 4.182 -2.148 632 HB3 PHE 80 3HB PHE 80 11.648 4.500 -3.281 633 HD1 PHE 80 HD1 PHE 80 10.818 2.869 -0.061 634 HD2 PHE 80 HD2 PHE 80 13.651 3.250 -3.219 635 HE1 PHE 80 HE1 PHE 80 12.049 0.925 0.809 636 HE2 PHE 80 HE2 PHE 80 14.883 1.309 -2.349 637 HZ PHE 80 HZ PHE 80 14.083 0.144 -0.332 638 H SER 81 H SER 81 12.791 7.055 -3.389 639 HA SER 81 HA SER 81 11.054 9.334 -3.295 640 HB2 SER 81 2HB SER 81 13.413 9.522 -4.016 641 HB3 SER 81 3HB SER 81 13.048 8.567 -5.451 642 HG SER 81 HG SER 81 11.466 10.263 -5.952 643 H ASN 82 H ASN 82 10.622 6.297 -4.647 644 HA ASN 82 HA ASN 82 8.434 7.331 -6.342 645 HB2 ASN 82 2HB ASN 82 10.217 4.958 -6.972 646 HB3 ASN 82 3HB ASN 82 8.821 5.470 -7.915 647 HD21 ASN 82 1HD2 ASN 82 12.122 6.154 -7.096 648 HD22 ASN 82 2HD2 ASN 82 12.373 7.360 -8.303 649 H ILE 83 H ILE 83 6.488 6.596 -5.716 650 HA ILE 83 HA ILE 83 6.014 4.824 -3.632 651 HB ILE 83 HB ILE 83 4.180 5.499 -5.943 652 HG12 ILE 83 2HG1 ILE 83 4.423 6.656 -3.148 653 HG13 ILE 83 3HG1 ILE 83 4.890 7.453 -4.645 654 HG21 ILE 83 1HG2 ILE 83 3.488 4.238 -3.281 655 HG22 ILE 83 2HG2 ILE 83 3.445 3.436 -4.851 656 HG23 ILE 83 3HG2 ILE 83 2.333 4.759 -4.512 657 HD11 ILE 83 3HD1 ILE 83 2.792 8.322 -3.855 658 HD12 ILE 83 1HD1 ILE 83 2.097 6.701 -3.814 659 HD13 ILE 83 2HD1 ILE 83 2.536 7.434 -5.356 660 HA PRO 84 HA PRO 84 5.324 1.299 -7.100 661 HB2 PRO 84 2HB PRO 84 7.328 1.675 -9.042 662 HB3 PRO 84 3HB PRO 84 5.592 1.898 -9.274 663 HG2 PRO 84 2HG PRO 84 7.703 3.927 -8.681 664 HG3 PRO 84 3HG PRO 84 6.277 4.060 -9.729 665 HD2 PRO 84 2HD PRO 84 6.316 5.213 -7.324 666 HD3 PRO 84 3HD PRO 84 4.838 4.427 -7.922 667 H GLN 85 H GLN 85 8.492 2.844 -6.543 668 HA GLN 85 HA GLN 85 9.888 0.357 -6.262 669 HB2 GLN 85 2HB GLN 85 10.635 3.228 -5.743 670 HB3 GLN 85 3HB GLN 85 11.722 1.915 -5.321 671 HG2 GLN 85 2HG GLN 85 10.666 2.558 -8.070 672 HG3 GLN 85 3HG GLN 85 12.310 2.818 -7.483 673 HE21 GLN 85 1HE2 GLN 85 9.992 0.456 -8.551 674 HE22 GLN 85 2HE2 GLN 85 11.102 -0.854 -8.725 675 H LEU 86 H LEU 86 8.480 2.666 -3.979 676 HA LEU 86 HA LEU 86 9.410 1.584 -1.582 677 HB2 LEU 86 2HB LEU 86 8.162 3.681 -1.727 678 HB3 LEU 86 3HB LEU 86 6.716 2.811 -2.207 679 HG LEU 86 HG LEU 86 6.665 1.715 0.023 680 HD11 LEU 86 1HD1 LEU 86 9.040 1.821 0.561 681 HD12 LEU 86 2HD1 LEU 86 8.074 2.579 1.825 682 HD13 LEU 86 3HD1 LEU 86 8.951 3.580 0.667 683 HD21 LEU 86 3HD2 LEU 86 6.719 4.736 0.111 684 HD22 LEU 86 1HD2 LEU 86 5.906 3.676 1.261 685 HD23 LEU 86 2HD2 LEU 86 5.359 3.744 -0.414 686 H ILE 87 H ILE 87 6.402 0.787 -3.328 687 HA ILE 87 HA ILE 87 5.703 -1.409 -1.661 688 HB ILE 87 HB ILE 87 4.803 -0.758 -4.478 689 HG12 ILE 87 2HG1 ILE 87 4.254 1.015 -2.893 690 HG13 ILE 87 3HG1 ILE 87 2.791 0.155 -3.358 691 HG21 ILE 87 1HG2 ILE 87 4.410 -3.113 -3.977 692 HG22 ILE 87 2HG2 ILE 87 2.889 -2.224 -4.038 693 HG23 ILE 87 3HG2 ILE 87 3.586 -2.673 -2.481 694 HD11 ILE 87 3HD1 ILE 87 2.796 0.665 -0.991 695 HD12 ILE 87 1HD1 ILE 87 4.316 -0.204 -0.784 696 HD13 ILE 87 2HD1 ILE 87 2.854 -1.077 -1.246 697 H ASP 88 H ASP 88 7.228 -1.264 -4.894 698 HA ASP 88 HA ASP 88 7.528 -3.965 -5.413 699 HB2 ASP 88 2HB ASP 88 8.081 -2.351 -7.098 700 HB3 ASP 88 3HB ASP 88 9.330 -1.629 -6.090 701 H HIS 89 H HIS 89 9.840 -1.866 -3.674 702 HA HIS 89 HA HIS 89 11.757 -3.843 -3.177 703 HB2 HIS 89 2HB HIS 89 12.064 -1.358 -2.892 704 HB3 HIS 89 3HB HIS 89 11.184 -1.487 -1.371 705 HD1 HIS 89 HD1 HIS 89 12.390 -2.837 0.571 706 HD2 HIS 89 HD2 HIS 89 14.714 -2.174 -2.815 707 HE1 HIS 89 HE1 HIS 89 14.746 -3.339 1.262 708 HE2 HIS 89 HE2 HIS 89 16.142 -2.819 -0.758 709 H HIS 90 H HIS 90 8.986 -2.807 -1.162 710 HA HIS 90 HA HIS 90 9.542 -4.609 0.970 711 HB2 HIS 90 2HB HIS 90 7.095 -3.073 0.149 712 HB3 HIS 90 3HB HIS 90 6.999 -4.265 1.440 713 HD1 HIS 90 HD1 HIS 90 8.260 -0.852 0.677 714 HD2 HIS 90 HD2 HIS 90 8.427 -3.594 3.796 715 HE1 HIS 90 HE1 HIS 90 9.092 0.438 2.663 716 HE2 HIS 90 HE2 HIS 90 9.000 -1.196 4.573 717 H TYR 91 H TYR 91 7.404 -4.909 -1.858 718 HA TYR 91 HA TYR 91 6.266 -7.387 -1.167 719 HB2 TYR 91 2HB TYR 91 5.327 -5.872 -2.882 720 HB3 TYR 91 3HB TYR 91 6.694 -6.220 -3.934 721 HD1 TYR 91 HD1 TYR 91 3.737 -7.736 -2.285 722 HD2 TYR 91 HD2 TYR 91 6.693 -8.163 -5.322 723 HE1 TYR 91 HE1 TYR 91 2.515 -9.662 -3.200 724 HE2 TYR 91 HE2 TYR 91 5.476 -10.088 -6.242 725 HH TYR 91 HH TYR 91 3.881 -11.772 -5.506 726 H THR 92 H THR 92 9.062 -6.645 -3.259 727 HA THR 92 HA THR 92 9.703 -9.292 -3.970 728 HB THR 92 HB THR 92 12.007 -8.444 -4.424 729 HG1 THR 92 HG1 THR 92 11.245 -5.818 -3.895 730 HG21 THR 92 3HG2 THR 92 9.808 -6.629 -5.438 731 HG22 THR 92 1HG2 THR 92 10.219 -8.211 -6.106 732 HG23 THR 92 2HG2 THR 92 11.382 -6.888 -6.192 733 H THR 93 H THR 93 11.194 -7.264 -1.426 734 HA THR 93 HA THR 93 12.688 -9.375 -0.242 735 HB THR 93 HB THR 93 13.006 -7.884 1.688 736 HG1 THR 93 HG1 THR 93 11.064 -6.252 0.369 737 HG21 THR 93 3HG2 THR 93 14.385 -7.523 -0.315 738 HG22 THR 93 1HG2 THR 93 14.070 -6.009 0.534 739 HG23 THR 93 2HG2 THR 93 13.182 -6.394 -0.939 740 H LYS 94 H LYS 94 9.365 -8.646 -0.114 741 HA LYS 94 HA LYS 94 7.591 -9.421 1.064 742 HB2 LYS 94 2HB LYS 94 9.055 -11.604 0.628 743 HB3 LYS 94 3HB LYS 94 9.232 -11.558 2.375 744 HG2 LYS 94 2HG LYS 94 7.405 -13.014 1.745 745 HG3 LYS 94 3HG LYS 94 6.786 -11.607 2.618 746 HD2 LYS 94 2HD LYS 94 6.112 -10.564 0.530 747 HD3 LYS 94 3HD LYS 94 6.834 -11.878 -0.397 748 HE2 LYS 94 2HE LYS 94 5.214 -13.445 0.580 749 HE3 LYS 94 3HE LYS 94 4.498 -12.122 1.504 750 HZ1 LYS 94 3HZ LYS 94 3.860 -11.050 -0.539 751 HZ2 LYS 94 1HZ LYS 94 3.265 -12.631 -0.538 752 HZ3 LYS 94 2HZ LYS 94 4.623 -12.242 -1.463 753 H GLN 95 H GLN 95 9.470 -7.484 2.220 754 HA GLN 95 HA GLN 95 9.454 -7.966 5.089 755 HB2 GLN 95 2HB GLN 95 11.233 -6.725 3.535 756 HB3 GLN 95 3HB GLN 95 10.229 -5.331 3.888 757 HG2 GLN 95 2HG GLN 95 11.456 -7.080 6.010 758 HG3 GLN 95 3HG GLN 95 12.239 -5.648 5.353 759 HE21 GLN 95 1HE2 GLN 95 11.357 -3.606 5.826 760 HE22 GLN 95 2HE2 GLN 95 10.277 -3.381 7.156 761 H VAL 96 H VAL 96 8.299 -6.675 6.608 762 HA VAL 96 HA VAL 96 5.632 -6.157 5.776 763 HB VAL 96 HB VAL 96 5.106 -5.690 8.043 764 HG11 VAL 96 1HG1 VAL 96 7.292 -7.770 7.980 765 HG12 VAL 96 2HG1 VAL 96 5.593 -8.024 7.575 766 HG13 VAL 96 3HG1 VAL 96 6.053 -7.611 9.227 767 HG21 VAL 96 3HG2 VAL 96 6.794 -5.319 9.787 768 HG22 VAL 96 1HG2 VAL 96 6.853 -4.068 8.546 769 HG23 VAL 96 2HG2 VAL 96 8.064 -5.350 8.565 770 H ILE 97 H ILE 97 4.398 -4.211 6.080 771 HA ILE 97 HA ILE 97 5.646 -1.853 5.058 772 HB ILE 97 HB ILE 97 2.858 -2.371 6.116 773 HG12 ILE 97 2HG1 ILE 97 3.433 -3.523 4.026 774 HG13 ILE 97 3HG1 ILE 97 2.229 -2.269 3.742 775 HG21 ILE 97 1HG2 ILE 97 3.877 0.126 4.760 776 HG22 ILE 97 2HG2 ILE 97 3.386 -0.012 6.450 777 HG23 ILE 97 3HG2 ILE 97 2.195 -0.220 5.166 778 HD11 ILE 97 3HD1 ILE 97 3.883 -2.297 1.976 779 HD12 ILE 97 1HD1 ILE 97 5.177 -2.068 3.151 780 HD13 ILE 97 2HD1 ILE 97 3.990 -0.790 2.886 781 H THR 98 H THR 98 3.780 -2.233 8.090 782 HA THR 98 HA THR 98 5.596 -0.285 9.376 783 HB THR 98 HB THR 98 3.663 0.112 10.977 784 HG1 THR 98 HG1 THR 98 1.750 -0.802 10.584 785 HG21 THR 98 3HG2 THR 98 2.472 1.623 9.452 786 HG22 THR 98 1HG2 THR 98 3.213 0.815 8.070 787 HG23 THR 98 2HG2 THR 98 4.216 1.714 9.211 788 H LYS 99 H LYS 99 6.675 -0.906 11.170 789 HA LYS 99 HA LYS 99 6.640 -3.661 11.954 790 HB2 LYS 99 2HB LYS 99 8.087 -1.255 13.075 791 HB3 LYS 99 3HB LYS 99 8.318 -2.893 13.674 792 HG2 LYS 99 2HG LYS 99 8.811 -2.046 10.819 793 HG3 LYS 99 3HG LYS 99 10.060 -2.151 12.062 794 HD2 LYS 99 2HD LYS 99 9.645 -4.536 12.317 795 HD3 LYS 99 3HD LYS 99 8.316 -4.457 11.161 796 HE2 LYS 99 2HE LYS 99 9.859 -3.871 9.383 797 HE3 LYS 99 3HE LYS 99 11.202 -3.821 10.526 798 HZ1 LYS 99 3HZ LYS 99 9.598 -6.243 9.899 799 HZ2 LYS 99 1HZ LYS 99 10.953 -6.170 10.907 800 HZ3 LYS 99 2HZ LYS 99 11.117 -5.893 9.247 801 H LYS 100 H LYS 100 5.074 -0.792 13.094 802 HA LYS 100 HA LYS 100 4.294 -1.737 15.672 803 HB2 LYS 100 2HB LYS 100 3.287 0.416 13.827 804 HB3 LYS 100 3HB LYS 100 2.378 0.005 15.272 805 HG2 LYS 100 2HG LYS 100 3.908 1.957 15.512 806 HG3 LYS 100 3HG LYS 100 4.162 0.673 16.693 807 HD2 LYS 100 2HD LYS 100 6.159 -0.032 15.660 808 HD3 LYS 100 3HD LYS 100 5.793 0.838 14.169 809 HE2 LYS 100 2HE LYS 100 6.379 2.148 16.826 810 HE3 LYS 100 3HE LYS 100 7.557 1.920 15.532 811 HZ1 LYS 100 3HZ LYS 100 6.106 3.245 14.084 812 HZ2 LYS 100 1HZ LYS 100 6.643 4.124 15.425 813 HZ3 LYS 100 2HZ LYS 100 5.063 3.524 15.382 814 H SER 101 H SER 101 3.327 -2.672 12.551 815 HA SER 101 HA SER 101 0.797 -3.831 13.562 816 HB2 SER 101 2HB SER 101 1.464 -3.142 10.686 817 HB3 SER 101 3HB SER 101 -0.090 -3.709 11.301 818 HG SER 101 HG SER 101 -0.313 -1.780 12.434 819 H GLY 102 H GLY 102 3.318 -4.412 11.089 820 HA2 GLY 102 2HA GLY 102 4.538 -6.410 10.798 821 HA3 GLY 102 3HA GLY 102 3.387 -7.243 11.828 822 H VAL 103 H VAL 103 2.400 -5.232 9.119 823 HA VAL 103 HA VAL 103 1.086 -7.542 7.922 824 HB VAL 103 HB VAL 103 0.948 -4.633 7.097 825 HG11 VAL 103 1HG1 VAL 103 -1.099 -5.342 5.894 826 HG12 VAL 103 2HG1 VAL 103 -0.727 -7.018 6.296 827 HG13 VAL 103 3HG1 VAL 103 0.364 -6.096 5.263 828 HG21 VAL 103 3HG2 VAL 103 -1.217 -4.591 8.232 829 HG22 VAL 103 1HG2 VAL 103 0.080 -4.977 9.364 830 HG23 VAL 103 2HG2 VAL 103 -0.981 -6.255 8.770 831 H VAL 104 H VAL 104 1.844 -8.631 6.237 832 HA VAL 104 HA VAL 104 4.135 -7.595 4.719 833 HB VAL 104 HB VAL 104 2.980 -10.396 4.704 834 HG11 VAL 104 1HG1 VAL 104 5.636 -9.341 3.718 835 HG12 VAL 104 2HG1 VAL 104 4.293 -9.889 2.714 836 HG13 VAL 104 3HG1 VAL 104 5.148 -11.037 3.743 837 HG21 VAL 104 3HG2 VAL 104 4.841 -11.002 6.195 838 HG22 VAL 104 1HG2 VAL 104 3.749 -9.837 6.946 839 HG23 VAL 104 2HG2 VAL 104 5.304 -9.305 6.301 840 H LEU 105 H LEU 105 4.164 -7.613 2.409 841 HA LEU 105 HA LEU 105 1.549 -7.145 1.221 842 HB2 LEU 105 2HB LEU 105 4.325 -6.811 0.083 843 HB3 LEU 105 3HB LEU 105 2.845 -6.374 -0.752 844 HG LEU 105 HG LEU 105 3.932 -5.113 1.772 845 HD11 LEU 105 1HD1 LEU 105 5.114 -4.446 -0.248 846 HD12 LEU 105 2HD1 LEU 105 4.143 -3.112 0.375 847 HD13 LEU 105 3HD1 LEU 105 3.585 -4.029 -1.024 848 HD21 LEU 105 3HD2 LEU 105 1.489 -5.210 1.869 849 HD22 LEU 105 1HD2 LEU 105 1.387 -4.476 0.266 850 HD23 LEU 105 2HD2 LEU 105 2.047 -3.556 1.619 851 H LEU 106 H LEU 106 0.453 -8.844 0.461 852 HA LEU 106 HA LEU 106 1.706 -10.354 -1.697 853 HB2 LEU 106 2HB LEU 106 0.633 -12.476 -0.988 854 HB3 LEU 106 3HB LEU 106 1.902 -11.938 0.093 855 HG LEU 106 HG LEU 106 -1.019 -11.456 0.685 856 HD11 LEU 106 1HD1 LEU 106 -0.947 -13.432 2.126 857 HD12 LEU 106 2HD1 LEU 106 0.678 -13.802 1.551 858 HD13 LEU 106 3HD1 LEU 106 -0.689 -13.863 0.435 859 HD21 LEU 106 3HD2 LEU 106 0.534 -10.071 1.938 860 HD22 LEU 106 1HD2 LEU 106 1.457 -11.497 2.419 861 HD23 LEU 106 2HD2 LEU 106 -0.194 -11.275 3.000 862 H ASN 107 H ASN 107 -0.059 -11.558 -2.992 863 HA ASN 107 HA ASN 107 -1.785 -11.297 -4.438 864 HB2 ASN 107 2HB ASN 107 -3.478 -10.248 -2.192 865 HB3 ASN 107 3HB ASN 107 -3.926 -11.300 -3.523 866 HD21 ASN 107 1HD2 ASN 107 -4.432 -11.632 -0.748 867 HD22 ASN 107 2HD2 ASN 107 -3.677 -13.103 -0.256 868 HA PRO 108 HA PRO 108 -1.469 -6.654 -4.877 869 HB2 PRO 108 2HB PRO 108 -0.349 -6.669 -7.362 870 HB3 PRO 108 3HB PRO 108 0.606 -6.706 -5.874 871 HG2 PRO 108 2HG PRO 108 -0.139 -8.953 -7.705 872 HG3 PRO 108 3HG PRO 108 1.400 -8.639 -6.884 873 HD2 PRO 108 2HD PRO 108 -0.431 -10.461 -5.991 874 HD3 PRO 108 3HD PRO 108 0.690 -9.602 -4.915 875 H ILE 109 H ILE 109 -3.706 -6.473 -5.054 876 HA ILE 109 HA ILE 109 -5.239 -7.790 -7.057 877 HB ILE 109 HB ILE 109 -6.043 -5.463 -5.297 878 HG12 ILE 109 2HG1 ILE 109 -5.296 -7.373 -3.963 879 HG13 ILE 109 3HG1 ILE 109 -7.044 -7.209 -3.844 880 HG21 ILE 109 1HG2 ILE 109 -7.751 -7.441 -6.822 881 HG22 ILE 109 2HG2 ILE 109 -7.537 -5.735 -7.213 882 HG23 ILE 109 3HG2 ILE 109 -8.345 -6.201 -5.717 883 HD11 ILE 109 3HD1 ILE 109 -6.391 -9.536 -4.040 884 HD12 ILE 109 1HD1 ILE 109 -5.565 -9.194 -5.561 885 HD13 ILE 109 2HD1 ILE 109 -7.317 -9.032 -5.455 886 HA PRO 110 HA PRO 110 -4.141 -5.007 -10.413 887 HB2 PRO 110 2HB PRO 110 -6.390 -6.460 -11.718 888 HB3 PRO 110 3HB PRO 110 -4.738 -6.195 -12.287 889 HG2 PRO 110 2HG PRO 110 -5.464 -8.577 -11.362 890 HG3 PRO 110 3HG PRO 110 -3.867 -7.907 -10.965 891 HD2 PRO 110 2HD PRO 110 -6.347 -8.035 -9.277 892 HD3 PRO 110 3HD PRO 110 -4.655 -8.330 -8.818 893 H LYS 111 H LYS 111 -5.002 -3.250 -11.526 894 HA LYS 111 HA LYS 111 -7.302 -2.049 -10.233 895 HB2 LYS 111 2HB LYS 111 -6.597 -0.021 -11.636 896 HB3 LYS 111 3HB LYS 111 -5.533 -0.545 -10.345 897 HG2 LYS 111 2HG LYS 111 -4.203 0.047 -12.238 898 HG3 LYS 111 3HG LYS 111 -4.118 -1.699 -12.024 899 HD2 LYS 111 2HD LYS 111 -5.639 -2.055 -13.859 900 HD3 LYS 111 3HD LYS 111 -5.955 -0.324 -13.995 901 HE2 LYS 111 2HE LYS 111 -4.399 -1.173 -15.729 902 HE3 LYS 111 3HE LYS 111 -3.688 0.082 -14.719 903 HZ1 LYS 111 3HZ LYS 111 -2.509 -1.585 -13.488 904 HZ2 LYS 111 1HZ LYS 111 -2.177 -1.775 -15.134 905 HZ3 LYS 111 2HZ LYS 111 -3.248 -2.831 -14.360 906 H ASP 112 H ASP 112 -8.914 -0.855 -11.455 907 HA ASP 112 HA ASP 112 -9.754 -2.269 -13.894 908 HB2 ASP 112 2HB ASP 112 -12.015 -1.199 -13.306 909 HB3 ASP 112 3HB ASP 112 -11.433 -2.473 -12.239 910 H LYS 113 H LYS 113 -10.972 -0.891 -15.522 911 HA LYS 113 HA LYS 113 -9.315 1.372 -16.227 912 HB2 LYS 113 2HB LYS 113 -11.747 0.184 -17.592 913 HB3 LYS 113 3HB LYS 113 -10.804 1.512 -18.245 914 HG2 LYS 113 2HG LYS 113 -10.123 -0.452 -19.373 915 HG3 LYS 113 3HG LYS 113 -8.815 -0.018 -18.274 916 HD2 LYS 113 2HD LYS 113 -9.380 -1.768 -16.768 917 HD3 LYS 113 3HD LYS 113 -10.936 -2.044 -17.553 918 HE2 LYS 113 2HE LYS 113 -9.368 -3.804 -18.146 919 HE3 LYS 113 3HE LYS 113 -9.765 -2.838 -19.564 920 HZ1 LYS 113 3HZ LYS 113 -7.289 -2.612 -17.940 921 HZ2 LYS 113 1HZ LYS 113 -7.668 -1.656 -19.284 922 HZ3 LYS 113 2HZ LYS 113 -7.418 -3.317 -19.472 923 H LYS 114 H LYS 114 -10.062 2.467 -14.123 924 HA LYS 114 HA LYS 114 -12.751 3.533 -14.139 925 HB2 LYS 114 2HB LYS 114 -11.872 2.868 -12.014 926 HB3 LYS 114 3HB LYS 114 -10.439 3.866 -12.227 927 HG2 LYS 114 2HG LYS 114 -11.783 5.882 -12.074 928 HG3 LYS 114 3HG LYS 114 -13.254 4.920 -11.948 929 HD2 LYS 114 2HD LYS 114 -11.021 4.589 -9.959 930 HD3 LYS 114 3HD LYS 114 -12.197 5.893 -9.791 931 HE2 LYS 114 2HE LYS 114 -12.932 4.049 -8.459 932 HE3 LYS 114 3HE LYS 114 -14.009 4.185 -9.844 933 HZ1 LYS 114 3HZ LYS 114 -12.870 2.347 -10.893 934 HZ2 LYS 114 1HZ LYS 114 -13.393 1.894 -9.349 935 HZ3 LYS 114 2HZ LYS 114 -11.765 2.251 -9.616 936 H TRP 115 H TRP 115 -12.930 4.949 -15.858 937 HA TRP 115 HA TRP 115 -11.360 7.441 -15.669 938 HB2 TRP 115 2HB TRP 115 -13.204 6.430 -17.854 939 HB3 TRP 115 3HB TRP 115 -12.399 7.996 -17.874 940 HD1 TRP 115 HD1 TRP 115 -11.882 4.434 -18.852 941 HE1 TRP 115 HE1 TRP 115 -9.474 4.093 -19.694 942 HE3 TRP 115 HE3 TRP 115 -9.843 8.866 -17.318 943 HZ2 TRP 115 HZ2 TRP 115 -7.037 5.505 -19.704 944 HZ3 TRP 115 HZ3 TRP 115 -7.462 9.291 -17.781 945 HH2 TRP 115 HH2 TRP 115 -6.089 7.643 -18.950 946 H ILE 116 H ILE 116 -13.783 6.346 -14.066 947 HA ILE 116 HA ILE 116 -15.482 8.742 -14.287 948 HB ILE 116 HB ILE 116 -17.432 7.398 -13.588 949 HG12 ILE 116 2HG1 ILE 116 -16.014 5.498 -12.580 950 HG13 ILE 116 3HG1 ILE 116 -17.460 5.041 -13.469 951 HG21 ILE 116 1HG2 ILE 116 -16.088 6.497 -16.134 952 HG22 ILE 116 2HG2 ILE 116 -17.113 7.916 -15.922 953 HG23 ILE 116 3HG2 ILE 116 -17.802 6.301 -15.763 954 HD11 ILE 116 3HD1 ILE 116 -14.650 4.941 -14.549 955 HD12 ILE 116 1HD1 ILE 116 -16.110 4.436 -15.394 956 HD13 ILE 116 2HD1 ILE 116 -15.578 3.570 -13.953 Start of MODEL 12 1 H1 MET 1 1H MET 1 2.122 -0.753 -26.901 2 H2 MET 1 2H MET 1 0.796 0.058 -27.569 3 H3 MET 1 3H MET 1 1.425 0.547 -26.080 4 HA MET 1 HA MET 1 2.053 2.032 -27.903 5 HB2 MET 1 2HB MET 1 4.271 0.516 -26.513 6 HB3 MET 1 3HB MET 1 4.522 2.016 -27.399 7 HG2 MET 1 2HG MET 1 2.723 1.675 -25.002 8 HG3 MET 1 3HG MET 1 4.334 2.392 -24.990 9 HE1 MET 1 3HE MET 1 3.296 4.559 -23.784 10 HE2 MET 1 1HE MET 1 1.696 3.819 -23.836 11 HE3 MET 1 2HE MET 1 1.929 5.464 -24.430 12 H GLY 2 H GLY 2 1.334 1.081 -29.929 13 HA2 GLY 2 2HA GLY 2 1.690 0.326 -32.070 14 HA3 GLY 2 3HA GLY 2 3.327 0.906 -31.834 15 H HIS 3 H HIS 3 1.889 -1.743 -30.017 16 HA HIS 3 HA HIS 3 2.642 -3.836 -29.590 17 HB2 HIS 3 2HB HIS 3 2.562 -5.376 -31.479 18 HB3 HIS 3 3HB HIS 3 1.235 -4.228 -31.543 19 HD1 HIS 3 HD1 HIS 3 1.101 -2.690 -33.570 20 HD2 HIS 3 HD2 HIS 3 4.508 -5.067 -33.543 21 HE1 HIS 3 HE1 HIS 3 2.097 -2.461 -35.859 22 HE2 HIS 3 HE2 HIS 3 4.040 -4.052 -35.876 23 H HIS 4 H HIS 4 4.824 -1.800 -29.940 24 HA HIS 4 HA HIS 4 7.077 -3.257 -30.982 25 HB2 HIS 4 2HB HIS 4 6.820 -0.695 -29.406 26 HB3 HIS 4 3HB HIS 4 8.391 -1.403 -29.762 27 HD1 HIS 4 HD1 HIS 4 9.244 -1.264 -32.172 28 HD2 HIS 4 HD2 HIS 4 5.497 0.450 -31.626 29 HE1 HIS 4 HE1 HIS 4 8.796 0.047 -34.262 30 HE2 HIS 4 HE2 HIS 4 6.608 1.212 -33.836 31 H HIS 5 H HIS 5 8.114 -4.841 -30.000 32 HA HIS 5 HA HIS 5 7.505 -5.540 -27.251 33 HB2 HIS 5 2HB HIS 5 9.352 -6.978 -29.169 34 HB3 HIS 5 3HB HIS 5 8.548 -7.642 -27.749 35 HD1 HIS 5 HD1 HIS 5 7.991 -6.831 -31.345 36 HD2 HIS 5 HD2 HIS 5 5.785 -8.215 -28.104 37 HE1 HIS 5 HE1 HIS 5 5.849 -7.706 -32.311 38 HE2 HIS 5 HE2 HIS 5 4.468 -8.357 -30.321 39 H HIS 6 H HIS 6 8.883 -5.401 -25.510 40 HA HIS 6 HA HIS 6 11.689 -4.634 -25.996 41 HB2 HIS 6 2HB HIS 6 9.840 -3.236 -24.048 42 HB3 HIS 6 3HB HIS 6 11.564 -2.926 -24.221 43 HD1 HIS 6 HD1 HIS 6 12.021 -2.497 -27.094 44 HD2 HIS 6 HD2 HIS 6 8.522 -1.218 -25.256 45 HE1 HIS 6 HE1 HIS 6 11.119 -0.683 -28.562 46 HE2 HIS 6 HE2 HIS 6 9.176 0.251 -27.277 47 H HIS 7 H HIS 7 13.100 -4.875 -24.094 48 HA HIS 7 HA HIS 7 12.791 -7.338 -22.774 49 HB2 HIS 7 2HB HIS 7 14.746 -6.604 -21.386 50 HB3 HIS 7 3HB HIS 7 15.000 -6.454 -23.121 51 HD1 HIS 7 HD1 HIS 7 15.338 -4.109 -24.071 52 HD2 HIS 7 HD2 HIS 7 14.606 -4.141 -19.981 53 HE1 HIS 7 HE1 HIS 7 15.873 -1.794 -23.275 54 HE2 HIS 7 HE2 HIS 7 15.603 -1.894 -20.781 55 H HIS 8 H HIS 8 12.351 -7.869 -20.605 56 HA HIS 8 HA HIS 8 10.066 -6.565 -19.617 57 HB2 HIS 8 2HB HIS 8 10.167 -8.171 -17.744 58 HB3 HIS 8 3HB HIS 8 10.371 -8.944 -19.308 59 HD1 HIS 8 HD1 HIS 8 12.508 -10.240 -19.702 60 HD2 HIS 8 HD2 HIS 8 12.551 -8.105 -16.136 61 HE1 HIS 8 HE1 HIS 8 14.527 -11.052 -18.457 62 HE2 HIS 8 HE2 HIS 8 14.503 -9.797 -16.281 63 H SER 9 H SER 9 13.438 -6.201 -18.633 64 HA SER 9 HA SER 9 12.816 -5.086 -16.057 65 HB2 SER 9 2HB SER 9 14.945 -6.247 -16.437 66 HB3 SER 9 3HB SER 9 15.426 -5.005 -17.591 67 HG SER 9 HG SER 9 15.479 -4.973 -14.848 68 H HIS 10 H HIS 10 11.630 -3.255 -16.076 69 HA HIS 10 HA HIS 10 13.024 -0.825 -16.310 70 HB2 HIS 10 2HB HIS 10 12.431 -1.366 -18.786 71 HB3 HIS 10 3HB HIS 10 10.788 -0.924 -18.336 72 HD1 HIS 10 HD1 HIS 10 10.336 1.602 -17.839 73 HD2 HIS 10 HD2 HIS 10 14.250 0.746 -18.951 74 HE1 HIS 10 HE1 HIS 10 11.399 3.818 -18.338 75 HE2 HIS 10 HE2 HIS 10 13.712 3.267 -19.142 76 H MET 11 H MET 11 12.277 -0.057 -14.438 77 HA MET 11 HA MET 11 9.928 -0.759 -13.146 78 HB2 MET 11 2HB MET 11 11.560 1.765 -12.784 79 HB3 MET 11 3HB MET 11 10.364 1.164 -11.644 80 HG2 MET 11 2HG MET 11 12.590 0.609 -10.900 81 HG3 MET 11 3HG MET 11 11.702 -0.859 -11.310 82 HE1 MET 11 3HE MET 11 15.428 -1.715 -12.266 83 HE2 MET 11 1HE MET 11 14.041 -2.180 -11.284 84 HE3 MET 11 2HE MET 11 14.909 -0.686 -10.932 85 H LYS 12 H LYS 12 7.846 -0.204 -13.335 86 HA LYS 12 HA LYS 12 7.023 1.781 -15.268 87 HB2 LYS 12 2HB LYS 12 5.363 0.078 -13.392 88 HB3 LYS 12 3HB LYS 12 4.733 1.049 -14.715 89 HG2 LYS 12 2HG LYS 12 6.579 -1.319 -14.978 90 HG3 LYS 12 3HG LYS 12 4.849 -1.302 -15.321 91 HD2 LYS 12 2HD LYS 12 5.177 0.263 -17.135 92 HD3 LYS 12 3HD LYS 12 6.892 0.410 -16.746 93 HE2 LYS 12 2HE LYS 12 5.457 -2.040 -17.777 94 HE3 LYS 12 3HE LYS 12 6.657 -1.071 -18.630 95 HZ1 LYS 12 3HZ LYS 12 7.654 -3.075 -17.766 96 HZ2 LYS 12 1HZ LYS 12 7.145 -2.706 -16.197 97 HZ3 LYS 12 2HZ LYS 12 8.300 -1.736 -16.962 98 HA PRO 13 HA PRO 13 6.302 5.194 -12.439 99 HB2 PRO 13 2HB PRO 13 4.273 6.416 -13.846 100 HB3 PRO 13 3HB PRO 13 5.988 6.591 -14.231 101 HG2 PRO 13 2HG PRO 13 3.946 4.782 -15.474 102 HG3 PRO 13 3HG PRO 13 5.203 5.753 -16.261 103 HD2 PRO 13 2HD PRO 13 5.502 3.113 -15.878 104 HD3 PRO 13 3HD PRO 13 6.878 4.230 -15.747 105 H LEU 14 H LEU 14 4.594 6.019 -11.037 106 HA LEU 14 HA LEU 14 3.213 4.023 -9.714 107 HB2 LEU 14 2HB LEU 14 3.766 6.176 -8.708 108 HB3 LEU 14 3HB LEU 14 2.611 6.983 -9.753 109 HG LEU 14 HG LEU 14 0.773 5.731 -8.652 110 HD11 LEU 14 1HD1 LEU 14 2.941 4.719 -6.820 111 HD12 LEU 14 2HD1 LEU 14 1.990 3.755 -7.951 112 HD13 LEU 14 3HD1 LEU 14 1.206 4.523 -6.571 113 HD21 LEU 14 3HD2 LEU 14 2.548 7.320 -6.803 114 HD22 LEU 14 1HD2 LEU 14 0.844 6.960 -6.524 115 HD23 LEU 14 2HD2 LEU 14 1.319 7.965 -7.891 116 H ALA 15 H ALA 15 1.912 6.301 -12.115 117 HA ALA 15 HA ALA 15 -0.789 5.584 -11.891 118 HB1 ALA 15 3HB ALA 15 0.661 6.656 -14.309 119 HB2 ALA 15 1HB ALA 15 -0.044 7.616 -13.008 120 HB3 ALA 15 2HB ALA 15 -1.086 6.663 -14.064 121 H GLU 16 H GLU 16 1.811 3.917 -13.486 122 HA GLU 16 HA GLU 16 0.058 2.288 -15.141 123 HB2 GLU 16 2HB GLU 16 3.046 2.285 -14.690 124 HB3 GLU 16 3HB GLU 16 2.241 1.116 -15.728 125 HG2 GLU 16 2HG GLU 16 2.199 4.111 -16.105 126 HG3 GLU 16 3HG GLU 16 3.228 2.981 -16.986 127 H GLN 17 H GLN 17 1.602 2.083 -12.038 128 HA GLN 17 HA GLN 17 1.802 -0.682 -11.686 129 HB2 GLN 17 2HB GLN 17 1.224 1.465 -9.631 130 HB3 GLN 17 3HB GLN 17 1.706 -0.183 -9.248 131 HG2 GLN 17 2HG GLN 17 3.357 1.800 -10.811 132 HG3 GLN 17 3HG GLN 17 3.575 1.408 -9.106 133 HE21 GLN 17 1HE2 GLN 17 5.443 1.130 -11.318 134 HE22 GLN 17 2HE2 GLN 17 5.879 -0.540 -11.375 135 H ASP 18 H ASP 18 0.335 -2.248 -11.546 136 HA ASP 18 HA ASP 18 -2.394 -1.764 -11.964 137 HB2 ASP 18 2HB ASP 18 -0.912 -4.263 -11.153 138 HB3 ASP 18 3HB ASP 18 -2.630 -4.244 -11.535 139 H TRP 19 H TRP 19 -0.652 -2.257 -8.938 140 HA TRP 19 HA TRP 19 -3.044 -2.681 -7.409 141 HB2 TRP 19 2HB TRP 19 -1.426 -2.164 -5.433 142 HB3 TRP 19 3HB TRP 19 -1.227 -3.645 -6.360 143 HD1 TRP 19 HD1 TRP 19 1.042 -4.027 -7.546 144 HE1 TRP 19 HE1 TRP 19 3.244 -2.712 -7.688 145 HE3 TRP 19 HE3 TRP 19 -0.522 0.398 -5.507 146 HZ2 TRP 19 HZ2 TRP 19 4.194 -0.143 -7.023 147 HZ3 TRP 19 HZ3 TRP 19 1.102 2.234 -5.295 148 HH2 TRP 19 HH2 TRP 19 3.414 1.966 -6.038 149 H TYR 20 H TYR 20 -1.672 0.108 -8.757 150 HA TYR 20 HA TYR 20 -2.889 1.916 -6.814 151 HB2 TYR 20 2HB TYR 20 -0.772 2.600 -7.804 152 HB3 TYR 20 3HB TYR 20 -1.441 2.457 -9.426 153 HD1 TYR 20 HD2 TYR 20 -2.183 4.242 -6.211 154 HD2 TYR 20 HD1 TYR 20 -2.102 4.427 -10.469 155 HE1 TYR 20 HE2 TYR 20 -2.873 6.599 -6.118 156 HE2 TYR 20 HE1 TYR 20 -2.793 6.785 -10.382 157 HH TYR 20 HH TYR 20 -2.795 8.619 -7.486 158 H HIS 21 H HIS 21 -5.042 2.114 -6.884 159 HA HIS 21 HA HIS 21 -6.453 1.746 -9.442 160 HB2 HIS 21 2HB HIS 21 -7.380 1.616 -6.568 161 HB3 HIS 21 3HB HIS 21 -8.488 1.556 -7.937 162 HD1 HIS 21 HD1 HIS 21 -9.172 -0.749 -8.394 163 HD2 HIS 21 HD2 HIS 21 -5.231 -0.579 -7.088 164 HE1 HIS 21 HE1 HIS 21 -8.364 -3.121 -8.393 165 HE2 HIS 21 HE2 HIS 21 -5.916 -2.962 -7.838 166 H GLY 22 H GLY 22 -5.101 4.306 -8.576 167 HA2 GLY 22 2HA GLY 22 -5.538 6.554 -8.882 168 HA3 GLY 22 3HA GLY 22 -7.155 6.117 -9.410 169 H ALA 23 H ALA 23 -8.277 7.682 -8.269 170 HA ALA 23 HA ALA 23 -7.960 7.661 -5.333 171 HB1 ALA 23 3HB ALA 23 -7.561 9.828 -6.401 172 HB2 ALA 23 1HB ALA 23 -8.960 9.879 -5.328 173 HB3 ALA 23 2HB ALA 23 -9.189 9.797 -7.076 174 H ILE 24 H ILE 24 -9.277 5.595 -5.513 175 HA ILE 24 HA ILE 24 -12.150 6.043 -5.829 176 HB ILE 24 HB ILE 24 -12.423 3.647 -5.534 177 HG12 ILE 24 2HG1 ILE 24 -9.426 3.537 -5.058 178 HG13 ILE 24 3HG1 ILE 24 -10.658 3.311 -3.820 179 HG21 ILE 24 1HG2 ILE 24 -11.841 4.446 -7.763 180 HG22 ILE 24 2HG2 ILE 24 -11.164 2.844 -7.477 181 HG23 ILE 24 3HG2 ILE 24 -10.124 4.267 -7.394 182 HD11 ILE 24 3HD1 ILE 24 -11.460 1.319 -4.990 183 HD12 ILE 24 1HD1 ILE 24 -9.759 1.190 -4.549 184 HD13 ILE 24 2HD1 ILE 24 -10.210 1.545 -6.215 185 HA PRO 25 HA PRO 25 -13.090 6.630 -1.508 186 HB2 PRO 25 2HB PRO 25 -15.388 4.782 -1.910 187 HB3 PRO 25 3HB PRO 25 -15.374 6.454 -1.342 188 HG2 PRO 25 2HG PRO 25 -16.228 5.860 -3.797 189 HG3 PRO 25 3HG PRO 25 -15.276 7.328 -3.496 190 HD2 PRO 25 2HD PRO 25 -14.407 4.708 -4.676 191 HD3 PRO 25 3HD PRO 25 -13.971 6.361 -5.161 192 H ARG 26 H ARG 26 -13.198 5.532 0.560 193 HA ARG 26 HA ARG 26 -11.506 3.324 0.835 194 HB2 ARG 26 2HB ARG 26 -12.002 4.901 2.682 195 HB3 ARG 26 3HB ARG 26 -13.634 4.250 2.787 196 HG2 ARG 26 2HG ARG 26 -12.550 1.990 3.244 197 HG3 ARG 26 3HG ARG 26 -11.040 2.874 3.461 198 HD2 ARG 26 2HD ARG 26 -13.585 3.305 5.035 199 HD3 ARG 26 3HD ARG 26 -12.166 2.426 5.596 200 HE ARG 26 HE ARG 26 -11.846 5.230 4.834 201 HH11 ARG 26 1HH1 ARG 26 -11.998 2.842 7.325 202 HH12 ARG 26 2HH1 ARG 26 -11.374 3.912 8.530 203 HH21 ARG 26 1HH2 ARG 26 -11.052 6.581 6.401 204 HH22 ARG 26 2HH2 ARG 26 -10.856 5.994 8.020 205 H ILE 27 H ILE 27 -15.044 3.466 0.746 206 HA ILE 27 HA ILE 27 -15.701 0.846 1.341 207 HB ILE 27 HB ILE 27 -17.025 2.611 -0.733 208 HG12 ILE 27 2HG1 ILE 27 -17.644 2.260 2.216 209 HG13 ILE 27 3HG1 ILE 27 -16.837 3.655 1.510 210 HG21 ILE 27 1HG2 ILE 27 -17.725 0.282 -0.959 211 HG22 ILE 27 2HG2 ILE 27 -19.038 1.267 -0.319 212 HG23 ILE 27 3HG2 ILE 27 -18.120 0.217 0.760 213 HD11 ILE 27 3HD1 ILE 27 -19.652 2.770 0.906 214 HD12 ILE 27 1HD1 ILE 27 -18.840 4.192 0.247 215 HD13 ILE 27 2HD1 ILE 27 -19.185 4.093 1.973 216 H GLU 28 H GLU 28 -15.151 2.162 -1.931 217 HA GLU 28 HA GLU 28 -15.327 -0.226 -3.350 218 HB2 GLU 28 2HB GLU 28 -13.711 2.262 -3.953 219 HB3 GLU 28 3HB GLU 28 -14.043 0.982 -5.116 220 HG2 GLU 28 2HG GLU 28 -16.234 2.488 -3.705 221 HG3 GLU 28 3HG GLU 28 -15.523 3.043 -5.226 222 H ALA 29 H ALA 29 -12.625 1.129 -1.565 223 HA ALA 29 HA ALA 29 -10.633 -0.664 -2.532 224 HB1 ALA 29 3HB ALA 29 -10.050 1.464 -1.480 225 HB2 ALA 29 1HB ALA 29 -9.289 0.114 -0.638 226 HB3 ALA 29 2HB ALA 29 -10.710 0.897 0.056 227 H GLN 30 H GLN 30 -12.653 -0.692 0.436 228 HA GLN 30 HA GLN 30 -11.486 -3.098 1.442 229 HB2 GLN 30 2HB GLN 30 -13.365 -3.096 3.068 230 HB3 GLN 30 3HB GLN 30 -12.490 -1.575 3.005 231 HG2 GLN 30 2HG GLN 30 -14.244 -0.491 1.862 232 HG3 GLN 30 3HG GLN 30 -15.043 -2.015 1.482 233 HE21 GLN 30 1HE2 GLN 30 -16.355 -2.959 2.987 234 HE22 GLN 30 2HE2 GLN 30 -16.785 -2.205 4.483 235 H GLU 31 H GLU 31 -14.274 -2.457 -0.601 236 HA GLU 31 HA GLU 31 -15.608 -4.912 -0.262 237 HB2 GLU 31 2HB GLU 31 -15.614 -3.011 -2.615 238 HB3 GLU 31 3HB GLU 31 -16.730 -4.356 -2.424 239 HG2 GLU 31 2HG GLU 31 -16.479 -1.962 -0.610 240 HG3 GLU 31 3HG GLU 31 -17.780 -2.277 -1.756 241 H LEU 32 H LEU 32 -12.779 -4.142 -2.163 242 HA LEU 32 HA LEU 32 -12.955 -6.712 -3.560 243 HB2 LEU 32 2HB LEU 32 -11.050 -6.000 -4.859 244 HB3 LEU 32 3HB LEU 32 -12.270 -4.746 -4.849 245 HG LEU 32 HG LEU 32 -10.784 -3.754 -2.896 246 HD11 LEU 32 1HD1 LEU 32 -8.387 -4.146 -3.325 247 HD12 LEU 32 2HD1 LEU 32 -8.815 -5.437 -4.445 248 HD13 LEU 32 3HD1 LEU 32 -9.217 -5.581 -2.733 249 HD21 LEU 32 3HD2 LEU 32 -9.591 -2.409 -4.559 250 HD22 LEU 32 1HD2 LEU 32 -11.285 -2.624 -5.000 251 HD23 LEU 32 2HD2 LEU 32 -10.033 -3.562 -5.818 252 H LEU 33 H LEU 33 -11.587 -5.413 -0.727 253 HA LEU 33 HA LEU 33 -9.503 -7.431 -0.437 254 HB2 LEU 33 2HB LEU 33 -10.562 -5.481 1.625 255 HB3 LEU 33 3HB LEU 33 -9.063 -6.386 1.709 256 HG LEU 33 HG LEU 33 -9.658 -4.184 -0.275 257 HD11 LEU 33 1HD1 LEU 33 -7.879 -4.186 2.163 258 HD12 LEU 33 2HD1 LEU 33 -9.417 -3.338 2.002 259 HD13 LEU 33 3HD1 LEU 33 -8.045 -2.871 0.997 260 HD21 LEU 33 3HD2 LEU 33 -8.129 -5.823 -1.201 261 HD22 LEU 33 1HD2 LEU 33 -7.125 -5.735 0.246 262 HD23 LEU 33 2HD2 LEU 33 -7.270 -4.333 -0.814 263 H LYS 34 H LYS 34 -10.184 -9.506 0.054 264 HA LYS 34 HA LYS 34 -12.086 -9.815 2.259 265 HB2 LYS 34 2HB LYS 34 -13.459 -11.442 0.960 266 HB3 LYS 34 3HB LYS 34 -13.575 -9.776 0.410 267 HG2 LYS 34 2HG LYS 34 -11.746 -10.481 -1.307 268 HG3 LYS 34 3HG LYS 34 -12.266 -12.123 -0.915 269 HD2 LYS 34 2HD LYS 34 -13.481 -11.315 -2.858 270 HD3 LYS 34 3HD LYS 34 -14.592 -11.502 -1.499 271 HE2 LYS 34 2HE LYS 34 -14.394 -9.075 -1.050 272 HE3 LYS 34 3HE LYS 34 -13.350 -8.918 -2.460 273 HZ1 LYS 34 3HZ LYS 34 -15.193 -9.710 -3.834 274 HZ2 LYS 34 1HZ LYS 34 -15.597 -8.292 -3.001 275 HZ3 LYS 34 2HZ LYS 34 -16.185 -9.786 -2.467 276 H LYS 35 H LYS 35 -9.364 -11.007 0.582 277 HA LYS 35 HA LYS 35 -9.228 -13.181 2.573 278 HB2 LYS 35 2HB LYS 35 -7.984 -14.580 0.997 279 HB3 LYS 35 3HB LYS 35 -9.581 -14.199 0.371 280 HG2 LYS 35 2HG LYS 35 -8.667 -12.582 -1.151 281 HG3 LYS 35 3HG LYS 35 -7.063 -12.754 -0.435 282 HD2 LYS 35 2HD LYS 35 -6.945 -15.066 -1.202 283 HD3 LYS 35 3HD LYS 35 -8.579 -14.950 -1.859 284 HE2 LYS 35 2HE LYS 35 -6.777 -14.710 -3.566 285 HE3 LYS 35 3HE LYS 35 -7.879 -13.336 -3.489 286 HZ1 LYS 35 3HZ LYS 35 -5.511 -12.717 -3.659 287 HZ2 LYS 35 1HZ LYS 35 -5.235 -13.419 -2.146 288 HZ3 LYS 35 2HZ LYS 35 -6.267 -12.084 -2.287 289 H GLN 36 H GLN 36 -7.035 -13.742 3.254 290 HA GLN 36 HA GLN 36 -5.587 -11.440 3.970 291 HB2 GLN 36 2HB GLN 36 -5.582 -13.508 5.301 292 HB3 GLN 36 3HB GLN 36 -4.678 -14.328 4.034 293 HG2 GLN 36 2HG GLN 36 -2.801 -12.810 4.374 294 HG3 GLN 36 3HG GLN 36 -3.708 -11.953 5.619 295 HE21 GLN 36 1HE2 GLN 36 -4.061 -12.969 7.609 296 HE22 GLN 36 2HE2 GLN 36 -3.107 -14.307 8.123 297 H GLY 37 H GLY 37 -4.543 -10.188 2.540 298 HA2 GLY 37 2HA GLY 37 -2.203 -10.309 1.488 299 HA3 GLY 37 3HA GLY 37 -2.938 -11.500 0.430 300 H ASP 38 H ASP 38 -5.481 -10.069 0.192 301 HA ASP 38 HA ASP 38 -5.017 -8.576 -2.104 302 HB2 ASP 38 2HB ASP 38 -7.317 -8.167 -0.167 303 HB3 ASP 38 3HB ASP 38 -7.294 -7.701 -1.862 304 H PHE 39 H PHE 39 -4.113 -6.579 -2.430 305 HA PHE 39 HA PHE 39 -4.690 -4.474 -0.504 306 HB2 PHE 39 2HB PHE 39 -2.441 -3.800 -0.097 307 HB3 PHE 39 3HB PHE 39 -2.537 -5.519 0.247 308 HD1 PHE 39 HD1 PHE 39 -1.415 -7.144 -1.212 309 HD2 PHE 39 HD2 PHE 39 -1.092 -2.951 -1.901 310 HE1 PHE 39 HE1 PHE 39 0.532 -7.531 -2.664 311 HE2 PHE 39 HE2 PHE 39 0.849 -3.339 -3.360 312 HZ PHE 39 HZ PHE 39 1.667 -5.630 -3.740 313 H LEU 40 H LEU 40 -4.462 -2.366 -1.253 314 HA LEU 40 HA LEU 40 -3.534 -1.892 -3.975 315 HB2 LEU 40 2HB LEU 40 -5.538 -0.879 -4.776 316 HB3 LEU 40 3HB LEU 40 -5.967 -2.470 -4.178 317 HG LEU 40 HG LEU 40 -6.337 -0.004 -2.475 318 HD11 LEU 40 1HD1 LEU 40 -7.535 0.373 -4.576 319 HD12 LEU 40 2HD1 LEU 40 -8.644 0.115 -3.232 320 HD13 LEU 40 3HD1 LEU 40 -8.352 -1.182 -4.392 321 HD21 LEU 40 3HD2 LEU 40 -6.438 -2.175 -1.346 322 HD22 LEU 40 1HD2 LEU 40 -7.691 -2.705 -2.471 323 HD23 LEU 40 2HD2 LEU 40 -8.011 -1.379 -1.355 324 H VAL 41 H VAL 41 -3.096 0.318 -4.413 325 HA VAL 41 HA VAL 41 -3.130 2.103 -2.064 326 HB VAL 41 HB VAL 41 -1.402 2.231 -4.553 327 HG11 VAL 41 1HG1 VAL 41 -1.408 4.045 -2.132 328 HG12 VAL 41 2HG1 VAL 41 -1.929 4.481 -3.760 329 HG13 VAL 41 3HG1 VAL 41 -0.238 4.093 -3.451 330 HG21 VAL 41 3HG2 VAL 41 0.456 1.751 -3.022 331 HG22 VAL 41 1HG2 VAL 41 -0.737 0.453 -3.017 332 HG23 VAL 41 2HG2 VAL 41 -0.683 1.607 -1.682 333 H ARG 42 H ARG 42 -4.427 3.839 -2.100 334 HA ARG 42 HA ARG 42 -5.503 4.773 -4.698 335 HB2 ARG 42 2HB ARG 42 -7.592 5.297 -3.647 336 HB3 ARG 42 3HB ARG 42 -7.196 3.639 -3.210 337 HG2 ARG 42 2HG ARG 42 -6.434 4.370 -1.015 338 HG3 ARG 42 3HG ARG 42 -6.736 6.052 -1.454 339 HD2 ARG 42 2HD ARG 42 -9.158 5.329 -1.853 340 HD3 ARG 42 3HD ARG 42 -8.733 3.848 -0.995 341 HE ARG 42 HE ARG 42 -8.099 5.354 0.896 342 HH11 ARG 42 1HH1 ARG 42 -10.397 6.375 -1.449 343 HH12 ARG 42 2HH1 ARG 42 -11.186 7.466 -0.360 344 HH21 ARG 42 1HH2 ARG 42 -9.124 6.789 2.283 345 HH22 ARG 42 2HH2 ARG 42 -10.478 7.700 1.712 346 H GLU 43 H GLU 43 -6.207 7.126 -4.625 347 HA GLU 43 HA GLU 43 -4.466 8.678 -2.809 348 HB2 GLU 43 2HB GLU 43 -4.154 8.854 -5.363 349 HB3 GLU 43 3HB GLU 43 -5.664 9.751 -5.364 350 HG2 GLU 43 2HG GLU 43 -4.709 11.430 -3.898 351 HG3 GLU 43 3HG GLU 43 -3.208 10.511 -3.788 352 H SER 44 H SER 44 -5.318 10.545 -1.792 353 HA SER 44 HA SER 44 -8.046 10.169 -0.932 354 HB2 SER 44 2HB SER 44 -6.287 10.710 0.691 355 HB3 SER 44 3HB SER 44 -5.995 12.249 -0.117 356 HG SER 44 HG SER 44 -7.460 12.114 1.842 357 H HIS 45 H HIS 45 -9.831 11.330 -1.447 358 HA HIS 45 HA HIS 45 -9.733 13.334 -3.511 359 HB2 HIS 45 2HB HIS 45 -11.974 12.305 -1.760 360 HB3 HIS 45 3HB HIS 45 -12.211 13.612 -2.912 361 HD1 HIS 45 HD1 HIS 45 -13.492 10.650 -2.949 362 HD2 HIS 45 HD2 HIS 45 -10.464 12.124 -5.382 363 HE1 HIS 45 HE1 HIS 45 -13.571 9.258 -5.032 364 HE2 HIS 45 HE2 HIS 45 -11.658 10.086 -6.442 365 H GLY 46 H GLY 46 -10.155 13.351 -0.002 366 HA2 GLY 46 2HA GLY 46 -10.691 16.148 0.229 367 HA3 GLY 46 3HA GLY 46 -10.217 15.071 1.534 368 H LYS 47 H LYS 47 -7.726 14.226 0.375 369 HA LYS 47 HA LYS 47 -6.174 16.740 0.466 370 HB2 LYS 47 2HB LYS 47 -6.062 15.448 2.595 371 HB3 LYS 47 3HB LYS 47 -5.388 14.091 1.708 372 HG2 LYS 47 2HG LYS 47 -3.620 15.260 2.824 373 HG3 LYS 47 3HG LYS 47 -3.452 15.511 1.086 374 HD2 LYS 47 2HD LYS 47 -4.472 17.726 1.296 375 HD3 LYS 47 3HD LYS 47 -4.700 17.467 3.027 376 HE2 LYS 47 2HE LYS 47 -2.266 17.313 3.317 377 HE3 LYS 47 3HE LYS 47 -2.045 17.579 1.588 378 HZ1 LYS 47 3HZ LYS 47 -3.265 19.498 3.500 379 HZ2 LYS 47 1HZ LYS 47 -3.081 19.758 1.838 380 HZ3 LYS 47 2HZ LYS 47 -1.720 19.611 2.827 381 HA PRO 48 HA PRO 48 -5.059 14.821 -3.583 382 HB2 PRO 48 2HB PRO 48 -3.900 17.555 -3.867 383 HB3 PRO 48 3HB PRO 48 -4.916 16.639 -4.988 384 HG2 PRO 48 2HG PRO 48 -5.931 18.672 -3.599 385 HG3 PRO 48 3HG PRO 48 -6.879 17.195 -3.866 386 HD2 PRO 48 2HD PRO 48 -5.400 18.082 -1.408 387 HD3 PRO 48 3HD PRO 48 -6.990 17.301 -1.547 388 H GLY 49 H GLY 49 -3.241 13.633 -3.803 389 HA2 GLY 49 2HA GLY 49 -0.894 13.300 -3.874 390 HA3 GLY 49 3HA GLY 49 -0.680 14.682 -2.813 391 H GLU 50 H GLU 50 -3.048 13.219 -1.257 392 HA GLU 50 HA GLU 50 -1.270 11.734 0.515 393 HB2 GLU 50 2HB GLU 50 -2.861 13.264 1.535 394 HB3 GLU 50 3HB GLU 50 -4.204 12.463 0.733 395 HG2 GLU 50 2HG GLU 50 -3.813 10.452 2.050 396 HG3 GLU 50 3HG GLU 50 -2.427 11.217 2.830 397 H TYR 51 H TYR 51 -0.813 9.716 -0.186 398 HA TYR 51 HA TYR 51 -2.861 8.127 -1.535 399 HB2 TYR 51 2HB TYR 51 0.102 7.665 -1.128 400 HB3 TYR 51 3HB TYR 51 -0.960 6.556 -1.991 401 HD1 TYR 51 HD2 TYR 51 0.535 9.941 -2.063 402 HD2 TYR 51 HD1 TYR 51 -1.654 7.001 -4.232 403 HE1 TYR 51 HE2 TYR 51 0.833 11.247 -4.124 404 HE2 TYR 51 HE1 TYR 51 -1.356 8.299 -6.295 405 HH TYR 51 HH TYR 51 -0.942 10.622 -6.952 406 H VAL 52 H VAL 52 -4.017 6.617 -0.537 407 HA VAL 52 HA VAL 52 -3.178 5.712 2.140 408 HB VAL 52 HB VAL 52 -5.955 5.674 0.928 409 HG11 VAL 52 1HG1 VAL 52 -5.032 5.080 3.747 410 HG12 VAL 52 2HG1 VAL 52 -5.635 3.903 2.579 411 HG13 VAL 52 3HG1 VAL 52 -6.711 5.151 3.209 412 HG21 VAL 52 3HG2 VAL 52 -6.456 7.517 2.479 413 HG22 VAL 52 1HG2 VAL 52 -5.200 7.963 1.322 414 HG23 VAL 52 2HG2 VAL 52 -4.766 7.552 2.983 415 H LEU 53 H LEU 53 -2.399 3.718 2.260 416 HA LEU 53 HA LEU 53 -2.938 1.707 0.229 417 HB2 LEU 53 2HB LEU 53 -0.674 1.915 1.089 418 HB3 LEU 53 3HB LEU 53 -1.237 1.688 2.736 419 HG LEU 53 HG LEU 53 -1.927 -0.647 2.103 420 HD11 LEU 53 1HD1 LEU 53 -0.394 -0.048 -0.426 421 HD12 LEU 53 2HD1 LEU 53 -2.132 -0.325 -0.304 422 HD13 LEU 53 3HD1 LEU 53 -1.004 -1.627 0.070 423 HD21 LEU 53 3HD2 LEU 53 0.360 -1.552 2.126 424 HD22 LEU 53 1HD2 LEU 53 0.149 -0.247 3.292 425 HD23 LEU 53 2HD2 LEU 53 0.991 0.057 1.772 426 H SER 54 H SER 54 -4.245 -0.057 0.469 427 HA SER 54 HA SER 54 -5.424 -0.592 3.120 428 HB2 SER 54 2HB SER 54 -6.946 -0.466 0.501 429 HB3 SER 54 3HB SER 54 -7.619 -1.023 2.033 430 HG SER 54 HG SER 54 -6.757 1.572 1.316 431 H VAL 55 H VAL 55 -4.846 -2.565 3.701 432 HA VAL 55 HA VAL 55 -4.802 -4.718 1.682 433 HB VAL 55 HB VAL 55 -2.502 -4.170 2.104 434 HG11 VAL 55 1HG1 VAL 55 -1.505 -4.128 4.321 435 HG12 VAL 55 2HG1 VAL 55 -3.066 -4.502 5.052 436 HG13 VAL 55 3HG1 VAL 55 -2.826 -2.963 4.225 437 HG21 VAL 55 3HG2 VAL 55 -3.238 -6.648 3.680 438 HG22 VAL 55 1HG2 VAL 55 -1.643 -6.279 3.021 439 HG23 VAL 55 2HG2 VAL 55 -3.004 -6.560 1.934 440 H TYR 56 H TYR 56 -5.682 -6.662 2.279 441 HA TYR 56 HA TYR 56 -7.200 -6.731 4.750 442 HB2 TYR 56 2HB TYR 56 -8.048 -7.596 2.515 443 HB3 TYR 56 3HB TYR 56 -6.950 -8.954 2.712 444 HD1 TYR 56 HD2 TYR 56 -7.317 -10.583 4.583 445 HD2 TYR 56 HD1 TYR 56 -10.107 -7.479 3.727 446 HE1 TYR 56 HE2 TYR 56 -9.025 -11.757 5.906 447 HE2 TYR 56 HE1 TYR 56 -11.816 -8.639 5.050 448 HH TYR 56 HH TYR 56 -11.128 -11.150 7.167 449 H SER 57 H SER 57 -6.023 -7.111 6.531 450 HA SER 57 HA SER 57 -4.454 -9.592 6.686 451 HB2 SER 57 2HB SER 57 -2.797 -7.826 6.237 452 HB3 SER 57 3HB SER 57 -3.407 -6.897 7.607 453 HG SER 57 HG SER 57 -2.465 -8.248 8.980 454 H ASP 58 H ASP 58 -4.462 -10.568 8.685 455 HA ASP 58 HA ASP 58 -5.118 -11.093 10.796 456 HB2 ASP 58 2HB ASP 58 -5.591 -8.123 11.167 457 HB3 ASP 58 3HB ASP 58 -5.410 -9.321 12.443 458 H GLY 59 H GLY 59 -7.123 -10.389 8.476 459 HA2 GLY 59 2HA GLY 59 -9.393 -10.993 8.299 460 HA3 GLY 59 3HA GLY 59 -9.550 -10.855 10.043 461 H GLN 60 H GLN 60 -7.968 -8.165 9.315 462 HA GLN 60 HA GLN 60 -10.433 -6.580 8.952 463 HB2 GLN 60 2HB GLN 60 -7.905 -5.884 10.470 464 HB3 GLN 60 3HB GLN 60 -9.296 -4.825 10.279 465 HG2 GLN 60 2HG GLN 60 -10.682 -6.367 11.537 466 HG3 GLN 60 3HG GLN 60 -9.342 -7.508 11.658 467 HE21 GLN 60 1HE2 GLN 60 -7.650 -7.063 13.076 468 HE22 GLN 60 2HE2 GLN 60 -7.779 -5.865 14.310 469 H ARG 61 H ARG 61 -10.242 -4.559 7.782 470 HA ARG 61 HA ARG 61 -8.246 -4.605 5.680 471 HB2 ARG 61 2HB ARG 61 -10.620 -2.860 6.284 472 HB3 ARG 61 3HB ARG 61 -9.413 -2.316 5.133 473 HG2 ARG 61 2HG ARG 61 -11.155 -3.318 3.893 474 HG3 ARG 61 3HG ARG 61 -9.794 -4.434 3.851 475 HD2 ARG 61 2HD ARG 61 -10.834 -5.852 5.489 476 HD3 ARG 61 3HD ARG 61 -12.133 -4.683 5.744 477 HE ARG 61 HE ARG 61 -11.767 -5.857 3.079 478 HH11 ARG 61 1HH1 ARG 61 -13.629 -5.670 5.962 479 HH12 ARG 61 2HH1 ARG 61 -15.061 -6.263 5.200 480 HH21 ARG 61 1HH2 ARG 61 -13.594 -6.605 2.112 481 HH22 ARG 61 2HH2 ARG 61 -15.050 -6.769 3.034 482 H ARG 62 H ARG 62 -6.247 -4.101 6.358 483 HA ARG 62 HA ARG 62 -5.683 -2.069 8.314 484 HB2 ARG 62 2HB ARG 62 -3.882 -3.624 6.442 485 HB3 ARG 62 3HB ARG 62 -3.302 -2.547 7.704 486 HG2 ARG 62 2HG ARG 62 -5.033 -4.959 8.244 487 HG3 ARG 62 3HG ARG 62 -3.269 -4.997 8.257 488 HD2 ARG 62 2HD ARG 62 -3.378 -3.131 9.980 489 HD3 ARG 62 3HD ARG 62 -5.108 -3.462 10.087 490 HE ARG 62 HE ARG 62 -3.508 -5.808 10.438 491 HH11 ARG 62 1HH1 ARG 62 -4.771 -3.048 12.080 492 HH12 ARG 62 2HH1 ARG 62 -4.679 -3.807 13.627 493 HH21 ARG 62 1HH2 ARG 62 -3.393 -6.744 12.416 494 HH22 ARG 62 2HH2 ARG 62 -3.912 -5.867 13.817 495 H HIS 63 H HIS 63 -5.537 0.076 7.915 496 HA HIS 63 HA HIS 63 -5.037 0.952 5.135 497 HB2 HIS 63 2HB HIS 63 -6.508 2.464 7.309 498 HB3 HIS 63 3HB HIS 63 -6.308 2.973 5.634 499 HD1 HIS 63 HD1 HIS 63 -7.445 1.193 3.834 500 HD2 HIS 63 HD2 HIS 63 -8.814 1.107 7.762 501 HE1 HIS 63 HE1 HIS 63 -9.676 0.048 3.749 502 HE2 HIS 63 HE2 HIS 63 -10.536 0.115 6.111 503 H PHE 64 H PHE 64 -3.092 1.797 4.814 504 HA PHE 64 HA PHE 64 -1.801 3.334 6.988 505 HB2 PHE 64 2HB PHE 64 -0.424 1.593 4.923 506 HB3 PHE 64 3HB PHE 64 0.381 2.546 6.163 507 HD1 PHE 64 HD2 PHE 64 -0.115 1.967 8.614 508 HD2 PHE 64 HD1 PHE 64 -1.066 -0.614 5.355 509 HE1 PHE 64 HE2 PHE 64 -0.219 0.054 10.157 510 HE2 PHE 64 HE1 PHE 64 -1.170 -2.524 6.899 511 HZ PHE 64 HZ PHE 64 -0.744 -2.193 9.301 512 H ILE 65 H ILE 65 -1.577 5.437 6.456 513 HA ILE 65 HA ILE 65 -1.765 6.332 3.713 514 HB ILE 65 HB ILE 65 -1.197 7.918 6.234 515 HG12 ILE 65 2HG1 ILE 65 -3.779 7.491 4.697 516 HG13 ILE 65 3HG1 ILE 65 -3.399 6.831 6.283 517 HG21 ILE 65 1HG2 ILE 65 -0.391 9.080 4.250 518 HG22 ILE 65 2HG2 ILE 65 -1.817 9.889 4.899 519 HG23 ILE 65 3HG2 ILE 65 -1.956 8.868 3.467 520 HD11 ILE 65 3HD1 ILE 65 -3.323 9.090 7.204 521 HD12 ILE 65 1HD1 ILE 65 -4.882 8.742 6.454 522 HD13 ILE 65 2HD1 ILE 65 -3.704 9.750 5.614 523 H ILE 66 H ILE 66 -0.129 7.136 2.427 524 HA ILE 66 HA ILE 66 2.610 6.523 3.208 525 HB ILE 66 HB ILE 66 1.607 7.669 0.583 526 HG12 ILE 66 2HG1 ILE 66 2.167 4.787 1.341 527 HG13 ILE 66 3HG1 ILE 66 0.580 5.480 1.038 528 HG21 ILE 66 1HG2 ILE 66 3.743 6.904 -0.321 529 HG22 ILE 66 2HG2 ILE 66 4.221 6.309 1.268 530 HG23 ILE 66 3HG2 ILE 66 3.997 8.039 1.004 531 HD11 ILE 66 3HD1 ILE 66 2.797 5.152 -0.969 532 HD12 ILE 66 1HD1 ILE 66 1.238 5.911 -1.287 533 HD13 ILE 66 2HD1 ILE 66 1.316 4.202 -0.862 534 H GLN 67 H GLN 67 3.662 8.041 4.401 535 HA GLN 67 HA GLN 67 3.078 10.870 4.007 536 HB2 GLN 67 2HB GLN 67 4.950 9.490 5.949 537 HB3 GLN 67 3HB GLN 67 4.689 11.227 5.885 538 HG2 GLN 67 2HG GLN 67 3.352 10.423 7.656 539 HG3 GLN 67 3HG GLN 67 2.248 10.770 6.328 540 HE21 GLN 67 1HE2 GLN 67 0.667 9.369 7.049 541 HE22 GLN 67 2HE2 GLN 67 0.859 7.651 6.990 542 H TYR 68 H TYR 68 4.093 12.012 2.496 543 HA TYR 68 HA TYR 68 6.647 11.188 1.415 544 HB2 TYR 68 2HB TYR 68 4.833 12.192 0.002 545 HB3 TYR 68 3HB TYR 68 5.076 13.719 0.844 546 HD1 TYR 68 HD1 TYR 68 7.228 11.158 -0.841 547 HD2 TYR 68 HD2 TYR 68 6.306 15.283 -0.349 548 HE1 TYR 68 HE1 TYR 68 8.974 11.732 -2.465 549 HE2 TYR 68 HE2 TYR 68 8.054 15.872 -1.976 550 HH TYR 68 HH TYR 68 9.602 13.501 -3.938 551 H VAL 69 H VAL 69 8.254 11.420 2.886 552 HA VAL 69 HA VAL 69 8.745 14.116 4.004 553 HB VAL 69 HB VAL 69 9.216 11.522 5.498 554 HG11 VAL 69 1HG1 VAL 69 9.594 12.991 7.435 555 HG12 VAL 69 2HG1 VAL 69 9.405 14.402 6.394 556 HG13 VAL 69 3HG1 VAL 69 10.753 13.290 6.139 557 HG21 VAL 69 3HG2 VAL 69 7.000 13.541 5.875 558 HG22 VAL 69 1HG2 VAL 69 7.329 12.167 6.932 559 HG23 VAL 69 2HG2 VAL 69 6.821 11.895 5.266 560 H ASP 70 H ASP 70 10.926 14.739 4.159 561 HA ASP 70 HA ASP 70 13.084 14.891 3.446 562 HB2 ASP 70 2HB ASP 70 13.076 11.891 3.904 563 HB3 ASP 70 3HB ASP 70 14.508 12.910 3.775 564 H ASN 71 H ASN 71 11.014 14.495 1.444 565 HA ASN 71 HA ASN 71 10.740 14.199 -0.784 566 HB2 ASN 71 2HB ASN 71 13.759 14.005 -0.766 567 HB3 ASN 71 3HB ASN 71 12.779 14.136 -2.225 568 HD21 ASN 71 1HD2 ASN 71 14.806 15.946 -1.178 569 HD22 ASN 71 2HD2 ASN 71 14.026 17.474 -0.972 570 H MET 72 H MET 72 10.916 11.833 1.091 571 HA MET 72 HA MET 72 10.912 9.802 -1.049 572 HB2 MET 72 2HB MET 72 11.950 9.409 1.769 573 HB3 MET 72 3HB MET 72 11.723 8.122 0.592 574 HG2 MET 72 2HG MET 72 13.370 9.233 -0.881 575 HG3 MET 72 3HG MET 72 13.640 10.439 0.378 576 HE1 MET 72 3HE MET 72 15.134 8.236 3.274 577 HE2 MET 72 1HE MET 72 13.422 8.588 3.018 578 HE3 MET 72 2HE MET 72 14.630 9.853 2.783 579 H TYR 73 H TYR 73 9.380 8.130 -0.829 580 HA TYR 73 HA TYR 73 7.067 8.785 0.834 581 HB2 TYR 73 2HB TYR 73 7.447 6.661 -1.295 582 HB3 TYR 73 3HB TYR 73 5.931 7.007 -0.473 583 HD1 TYR 73 HD2 TYR 73 4.782 9.195 -0.873 584 HD2 TYR 73 HD1 TYR 73 8.190 7.998 -3.133 585 HE1 TYR 73 HE2 TYR 73 4.231 10.870 -2.586 586 HE2 TYR 73 HE1 TYR 73 7.645 9.666 -4.852 587 HH TYR 73 HH TYR 73 5.664 10.908 -5.655 588 H ARG 74 H ARG 74 6.613 7.757 2.717 589 HA ARG 74 HA ARG 74 7.382 4.993 3.120 590 HB2 ARG 74 2HB ARG 74 8.697 5.384 5.143 591 HB3 ARG 74 3HB ARG 74 9.437 6.159 3.752 592 HG2 ARG 74 2HG ARG 74 8.360 8.310 4.512 593 HG3 ARG 74 3HG ARG 74 7.927 7.470 6.004 594 HD2 ARG 74 2HD ARG 74 10.370 6.912 6.278 595 HD3 ARG 74 3HD ARG 74 10.697 7.983 4.916 596 HE ARG 74 HE ARG 74 9.320 9.002 7.302 597 HH11 ARG 74 1HH1 ARG 74 11.991 9.115 5.114 598 HH12 ARG 74 2HH1 ARG 74 12.650 10.540 5.838 599 HH21 ARG 74 1HH2 ARG 74 10.203 10.791 8.224 600 HH22 ARG 74 2HH2 ARG 74 11.664 11.464 7.582 601 H PHE 75 H PHE 75 6.379 3.995 4.919 602 HA PHE 75 HA PHE 75 3.967 5.362 5.870 603 HB2 PHE 75 2HB PHE 75 4.816 2.463 6.128 604 HB3 PHE 75 3HB PHE 75 3.261 3.120 6.624 605 HD1 PHE 75 HD1 PHE 75 1.585 3.729 4.975 606 HD2 PHE 75 HD2 PHE 75 5.331 2.079 3.795 607 HE1 PHE 75 HE1 PHE 75 0.663 3.231 2.753 608 HE2 PHE 75 HE2 PHE 75 4.412 1.582 1.566 609 HZ PHE 75 HZ PHE 75 2.074 2.158 1.045 610 H GLU 76 H GLU 76 7.030 4.195 7.037 611 HA GLU 76 HA GLU 76 6.396 5.040 9.764 612 HB2 GLU 76 2HB GLU 76 5.797 2.678 9.718 613 HB3 GLU 76 3HB GLU 76 7.367 2.264 9.042 614 HG2 GLU 76 2HG GLU 76 8.429 3.083 11.126 615 HG3 GLU 76 3HG GLU 76 6.823 3.360 11.798 616 H GLY 77 H GLY 77 9.075 3.043 8.531 617 HA2 GLY 77 2HA GLY 77 10.918 5.293 9.126 618 HA3 GLY 77 3HA GLY 77 11.295 3.621 9.509 619 H THR 78 H THR 78 11.126 2.119 7.495 620 HA THR 78 HA THR 78 13.078 2.930 5.630 621 HB THR 78 HB THR 78 11.091 0.659 5.332 622 HG1 THR 78 HG1 THR 78 13.054 -0.536 6.095 623 HG21 THR 78 3HG2 THR 78 12.772 -0.322 3.835 624 HG22 THR 78 1HG2 THR 78 13.777 1.119 4.013 625 HG23 THR 78 2HG2 THR 78 12.205 1.230 3.221 626 H GLY 79 H GLY 79 12.903 4.270 3.939 627 HA2 GLY 79 2HA GLY 79 10.318 4.407 2.494 628 HA3 GLY 79 3HA GLY 79 11.163 5.869 2.972 629 H PHE 80 H PHE 80 10.400 5.193 0.321 630 HA PHE 80 HA PHE 80 13.061 5.065 -0.956 631 HB2 PHE 80 2HB PHE 80 10.544 3.630 -1.832 632 HB3 PHE 80 3HB PHE 80 11.917 3.886 -2.903 633 HD1 PHE 80 HD1 PHE 80 10.887 2.281 0.280 634 HD2 PHE 80 HD2 PHE 80 13.789 2.463 -2.831 635 HE1 PHE 80 HE1 PHE 80 11.952 0.249 1.158 636 HE2 PHE 80 HE2 PHE 80 14.856 0.428 -1.954 637 HZ PHE 80 HZ PHE 80 13.939 -0.679 0.041 638 H SER 81 H SER 81 13.177 6.102 -3.073 639 HA SER 81 HA SER 81 12.044 8.680 -3.091 640 HB2 SER 81 2HB SER 81 13.284 7.194 -5.427 641 HB3 SER 81 3HB SER 81 13.072 8.939 -5.296 642 HG SER 81 HG SER 81 14.953 8.932 -4.391 643 H ASN 82 H ASN 82 11.104 5.725 -4.764 644 HA ASN 82 HA ASN 82 8.758 7.131 -5.899 645 HB2 ASN 82 2HB ASN 82 10.240 4.717 -6.978 646 HB3 ASN 82 3HB ASN 82 8.785 5.414 -7.685 647 HD21 ASN 82 1HD2 ASN 82 12.171 5.993 -6.991 648 HD22 ASN 82 2HD2 ASN 82 12.387 7.236 -8.171 649 H ILE 83 H ILE 83 6.761 6.392 -5.367 650 HA ILE 83 HA ILE 83 6.233 4.550 -3.373 651 HB ILE 83 HB ILE 83 4.427 5.372 -5.662 652 HG12 ILE 83 2HG1 ILE 83 4.676 6.356 -2.804 653 HG13 ILE 83 3HG1 ILE 83 5.145 7.237 -4.254 654 HG21 ILE 83 1HG2 ILE 83 2.549 4.585 -4.315 655 HG22 ILE 83 2HG2 ILE 83 3.665 3.989 -3.083 656 HG23 ILE 83 3HG2 ILE 83 3.650 3.259 -4.689 657 HD11 ILE 83 3HD1 ILE 83 3.048 8.062 -3.381 658 HD12 ILE 83 1HD1 ILE 83 2.340 6.451 -3.487 659 HD13 ILE 83 2HD1 ILE 83 2.801 7.311 -4.956 660 HA PRO 84 HA PRO 84 5.440 1.141 -6.950 661 HB2 PRO 84 2HB PRO 84 7.470 1.534 -8.873 662 HB3 PRO 84 3HB PRO 84 5.739 1.786 -9.105 663 HG2 PRO 84 2HG PRO 84 7.877 3.767 -8.462 664 HG3 PRO 84 3HG PRO 84 6.444 3.950 -9.492 665 HD2 PRO 84 2HD PRO 84 6.516 5.032 -7.054 666 HD3 PRO 84 3HD PRO 84 5.024 4.285 -7.668 667 H GLN 85 H GLN 85 8.657 2.572 -6.349 668 HA GLN 85 HA GLN 85 9.984 0.035 -6.133 669 HB2 GLN 85 2HB GLN 85 10.817 2.853 -5.439 670 HB3 GLN 85 3HB GLN 85 11.870 1.464 -5.200 671 HG2 GLN 85 2HG GLN 85 10.658 2.163 -7.867 672 HG3 GLN 85 3HG GLN 85 12.223 2.768 -7.324 673 HE21 GLN 85 1HE2 GLN 85 10.437 -0.063 -8.317 674 HE22 GLN 85 2HE2 GLN 85 11.809 -1.077 -8.570 675 H LEU 86 H LEU 86 8.624 2.334 -3.819 676 HA LEU 86 HA LEU 86 9.487 1.201 -1.419 677 HB2 LEU 86 2HB LEU 86 8.301 3.329 -1.547 678 HB3 LEU 86 3HB LEU 86 6.850 2.520 -2.100 679 HG LEU 86 HG LEU 86 6.665 1.384 0.100 680 HD11 LEU 86 1HD1 LEU 86 8.977 1.341 0.780 681 HD12 LEU 86 2HD1 LEU 86 8.037 2.226 1.981 682 HD13 LEU 86 3HD1 LEU 86 9.038 3.104 0.824 683 HD21 LEU 86 3HD2 LEU 86 6.831 4.398 0.232 684 HD22 LEU 86 1HD2 LEU 86 5.963 3.362 1.367 685 HD23 LEU 86 2HD2 LEU 86 5.443 3.453 -0.314 686 H ILE 87 H ILE 87 6.448 0.546 -3.173 687 HA ILE 87 HA ILE 87 5.634 -1.644 -1.570 688 HB ILE 87 HB ILE 87 4.865 -0.945 -4.416 689 HG12 ILE 87 2HG1 ILE 87 4.335 0.836 -2.809 690 HG13 ILE 87 3HG1 ILE 87 2.863 0.067 -3.393 691 HG21 ILE 87 1HG2 ILE 87 2.885 -2.345 -4.062 692 HG22 ILE 87 2HG2 ILE 87 3.494 -2.814 -2.475 693 HG23 ILE 87 3HG2 ILE 87 4.372 -3.286 -3.931 694 HD11 ILE 87 3HD1 ILE 87 4.187 -0.392 -0.723 695 HD12 ILE 87 1HD1 ILE 87 2.753 -1.240 -1.305 696 HD13 ILE 87 2HD1 ILE 87 2.697 0.500 -1.029 697 H ASP 88 H ASP 88 7.164 -1.557 -4.802 698 HA ASP 88 HA ASP 88 7.274 -4.267 -5.332 699 HB2 ASP 88 2HB ASP 88 7.833 -2.471 -6.948 700 HB3 ASP 88 3HB ASP 88 9.349 -2.198 -6.099 701 H HIS 89 H HIS 89 9.806 -2.310 -3.710 702 HA HIS 89 HA HIS 89 11.567 -4.505 -3.379 703 HB2 HIS 89 2HB HIS 89 12.237 -2.076 -3.306 704 HB3 HIS 89 3HB HIS 89 11.554 -2.002 -1.683 705 HD1 HIS 89 HD1 HIS 89 14.283 -3.804 -3.605 706 HD2 HIS 89 HD2 HIS 89 13.224 -2.869 0.303 707 HE1 HIS 89 HE1 HIS 89 16.232 -4.518 -2.190 708 HE2 HIS 89 HE2 HIS 89 15.643 -3.766 0.139 709 H HIS 90 H HIS 90 9.037 -3.169 -1.245 710 HA HIS 90 HA HIS 90 9.651 -4.944 0.925 711 HB2 HIS 90 2HB HIS 90 7.307 -3.197 0.245 712 HB3 HIS 90 3HB HIS 90 7.142 -4.398 1.524 713 HD1 HIS 90 HD1 HIS 90 8.641 -1.098 0.778 714 HD2 HIS 90 HD2 HIS 90 8.794 -3.948 3.795 715 HE1 HIS 90 HE1 HIS 90 9.750 0.039 2.722 716 HE2 HIS 90 HE2 HIS 90 10.035 -1.778 4.439 717 H TYR 91 H TYR 91 7.748 -5.226 -1.986 718 HA TYR 91 HA TYR 91 6.327 -7.591 -1.272 719 HB2 TYR 91 2HB TYR 91 5.714 -5.988 -3.122 720 HB3 TYR 91 3HB TYR 91 7.058 -6.634 -4.054 721 HD1 TYR 91 HD2 TYR 91 6.951 -8.926 -4.968 722 HD2 TYR 91 HD1 TYR 91 3.681 -7.241 -2.822 723 HE1 TYR 91 HE2 TYR 91 5.474 -10.688 -5.841 724 HE2 TYR 91 HE1 TYR 91 2.203 -8.998 -3.688 725 HH TYR 91 HH TYR 91 3.307 -11.794 -5.127 726 H THR 92 H THR 92 9.305 -7.006 -3.140 727 HA THR 92 HA THR 92 9.867 -9.734 -3.692 728 HB THR 92 HB THR 92 12.155 -8.964 -4.258 729 HG1 THR 92 HG1 THR 92 11.842 -6.325 -4.094 730 HG21 THR 92 3HG2 THR 92 11.527 -7.424 -6.069 731 HG22 THR 92 1HG2 THR 92 9.956 -7.174 -5.308 732 HG23 THR 92 2HG2 THR 92 10.389 -8.765 -5.936 733 H THR 93 H THR 93 11.134 -7.521 -1.176 734 HA THR 93 HA THR 93 12.711 -9.547 0.100 735 HB THR 93 HB THR 93 12.932 -7.984 1.989 736 HG1 THR 93 HG1 THR 93 11.516 -5.977 0.674 737 HG21 THR 93 3HG2 THR 93 14.036 -6.154 0.797 738 HG22 THR 93 1HG2 THR 93 13.212 -6.615 -0.694 739 HG23 THR 93 2HG2 THR 93 14.393 -7.703 0.034 740 H LYS 94 H LYS 94 9.371 -8.926 0.096 741 HA LYS 94 HA LYS 94 7.597 -9.822 1.202 742 HB2 LYS 94 2HB LYS 94 8.930 -11.915 0.595 743 HB3 LYS 94 3HB LYS 94 9.541 -11.900 2.241 744 HG2 LYS 94 2HG LYS 94 7.712 -13.472 2.024 745 HG3 LYS 94 3HG LYS 94 7.253 -12.143 3.092 746 HD2 LYS 94 2HD LYS 94 6.003 -11.091 1.282 747 HD3 LYS 94 3HD LYS 94 6.510 -12.361 0.166 748 HE2 LYS 94 2HE LYS 94 4.860 -12.810 2.661 749 HE3 LYS 94 3HE LYS 94 4.203 -12.666 1.031 750 HZ1 LYS 94 3HZ LYS 94 4.453 -14.971 1.687 751 HZ2 LYS 94 1HZ LYS 94 6.107 -14.754 1.942 752 HZ3 LYS 94 2HZ LYS 94 5.463 -14.617 0.386 753 H GLN 95 H GLN 95 8.936 -7.721 2.502 754 HA GLN 95 HA GLN 95 8.835 -8.473 5.349 755 HB2 GLN 95 2HB GLN 95 10.263 -6.201 3.966 756 HB3 GLN 95 3HB GLN 95 10.086 -6.295 5.714 757 HG2 GLN 95 2HG GLN 95 11.485 -8.307 3.953 758 HG3 GLN 95 3HG GLN 95 12.256 -7.131 5.018 759 HE21 GLN 95 1HE2 GLN 95 10.357 -10.059 4.896 760 HE22 GLN 95 2HE2 GLN 95 10.649 -10.549 6.525 761 H VAL 96 H VAL 96 8.131 -6.689 6.829 762 HA VAL 96 HA VAL 96 5.395 -6.172 6.197 763 HB VAL 96 HB VAL 96 5.219 -5.296 8.484 764 HG11 VAL 96 1HG1 VAL 96 6.799 -7.862 8.255 765 HG12 VAL 96 2HG1 VAL 96 5.046 -7.689 8.154 766 HG13 VAL 96 3HG1 VAL 96 5.879 -7.358 9.674 767 HG21 VAL 96 3HG2 VAL 96 7.368 -4.149 8.639 768 HG22 VAL 96 1HG2 VAL 96 8.215 -5.696 8.592 769 HG23 VAL 96 2HG2 VAL 96 7.185 -5.296 9.968 770 H ILE 97 H ILE 97 4.280 -4.184 6.344 771 HA ILE 97 HA ILE 97 5.542 -1.913 5.156 772 HB ILE 97 HB ILE 97 2.808 -2.261 6.412 773 HG12 ILE 97 2HG1 ILE 97 3.204 -3.611 4.386 774 HG13 ILE 97 3HG1 ILE 97 2.009 -2.352 4.093 775 HG21 ILE 97 1HG2 ILE 97 3.849 0.062 4.788 776 HG22 ILE 97 2HG2 ILE 97 3.424 0.089 6.499 777 HG23 ILE 97 3HG2 ILE 97 2.172 -0.172 5.285 778 HD11 ILE 97 3HD1 ILE 97 3.774 -0.984 3.034 779 HD12 ILE 97 1HD1 ILE 97 3.481 -2.516 2.211 780 HD13 ILE 97 2HD1 ILE 97 4.897 -2.329 3.245 781 H THR 98 H THR 98 3.995 -2.336 8.362 782 HA THR 98 HA THR 98 5.929 -0.403 9.483 783 HB THR 98 HB THR 98 4.236 0.400 11.063 784 HG1 THR 98 HG1 THR 98 1.976 -0.250 10.533 785 HG21 THR 98 3HG2 THR 98 4.464 1.593 8.918 786 HG22 THR 98 1HG2 THR 98 2.811 1.661 9.534 787 HG23 THR 98 2HG2 THR 98 3.216 0.559 8.220 788 H LYS 99 H LYS 99 6.987 -1.050 11.278 789 HA LYS 99 HA LYS 99 6.697 -3.705 12.287 790 HB2 LYS 99 2HB LYS 99 8.312 -1.320 13.197 791 HB3 LYS 99 3HB LYS 99 8.346 -2.858 14.049 792 HG2 LYS 99 2HG LYS 99 9.055 -2.516 11.136 793 HG3 LYS 99 3HG LYS 99 10.227 -2.529 12.458 794 HD2 LYS 99 2HD LYS 99 9.515 -4.801 13.069 795 HD3 LYS 99 3HD LYS 99 8.336 -4.789 11.754 796 HE2 LYS 99 2HE LYS 99 10.101 -4.656 10.114 797 HE3 LYS 99 3HE LYS 99 11.317 -4.482 11.378 798 HZ1 LYS 99 3HZ LYS 99 9.618 -6.880 10.948 799 HZ2 LYS 99 1HZ LYS 99 10.819 -6.714 12.128 800 HZ3 LYS 99 2HZ LYS 99 11.237 -6.729 10.489 801 H LYS 100 H LYS 100 5.203 -0.711 13.069 802 HA LYS 100 HA LYS 100 4.388 -1.368 15.725 803 HB2 LYS 100 2HB LYS 100 3.354 0.645 13.721 804 HB3 LYS 100 3HB LYS 100 2.706 0.496 15.353 805 HG2 LYS 100 2HG LYS 100 4.857 1.047 16.307 806 HG3 LYS 100 3HG LYS 100 5.599 1.072 14.707 807 HD2 LYS 100 2HD LYS 100 3.393 2.933 15.610 808 HD3 LYS 100 3HD LYS 100 5.111 3.333 15.618 809 HE2 LYS 100 2HE LYS 100 5.129 2.843 13.145 810 HE3 LYS 100 3HE LYS 100 3.370 2.735 13.227 811 HZ1 LYS 100 3HZ LYS 100 4.067 4.928 12.537 812 HZ2 LYS 100 1HZ LYS 100 5.005 5.114 13.933 813 HZ3 LYS 100 2HZ LYS 100 3.321 5.015 14.051 814 H SER 101 H SER 101 3.170 -2.252 12.584 815 HA SER 101 HA SER 101 0.816 -3.517 13.872 816 HB2 SER 101 2HB SER 101 0.204 -1.938 12.082 817 HB3 SER 101 3HB SER 101 1.212 -2.825 10.944 818 HG SER 101 HG SER 101 -0.237 -4.694 11.627 819 H GLY 102 H GLY 102 2.973 -4.123 11.074 820 HA2 GLY 102 2HA GLY 102 4.320 -6.083 10.845 821 HA3 GLY 102 3HA GLY 102 3.254 -6.918 11.962 822 H VAL 103 H VAL 103 2.577 -5.086 8.970 823 HA VAL 103 HA VAL 103 1.099 -7.428 7.950 824 HB VAL 103 HB VAL 103 0.887 -4.529 7.099 825 HG11 VAL 103 1HG1 VAL 103 -0.742 -6.941 6.290 826 HG12 VAL 103 2HG1 VAL 103 0.364 -6.033 5.260 827 HG13 VAL 103 3HG1 VAL 103 -1.110 -5.271 5.857 828 HG21 VAL 103 3HG2 VAL 103 0.010 -4.874 9.348 829 HG22 VAL 103 1HG2 VAL 103 -0.984 -6.212 8.772 830 HG23 VAL 103 2HG2 VAL 103 -1.303 -4.571 8.210 831 H VAL 104 H VAL 104 1.767 -8.468 6.141 832 HA VAL 104 HA VAL 104 4.122 -7.410 4.714 833 HB VAL 104 HB VAL 104 3.070 -10.252 4.709 834 HG11 VAL 104 1HG1 VAL 104 5.721 -9.113 3.807 835 HG12 VAL 104 2HG1 VAL 104 4.435 -9.715 2.760 836 HG13 VAL 104 3HG1 VAL 104 5.289 -10.825 3.832 837 HG21 VAL 104 3HG2 VAL 104 3.748 -9.610 6.969 838 HG22 VAL 104 1HG2 VAL 104 5.312 -9.070 6.358 839 HG23 VAL 104 2HG2 VAL 104 4.875 -10.778 6.277 840 H LEU 105 H LEU 105 4.238 -7.518 2.406 841 HA LEU 105 HA LEU 105 1.635 -7.235 1.090 842 HB2 LEU 105 2HB LEU 105 4.426 -6.577 0.137 843 HB3 LEU 105 3HB LEU 105 2.968 -6.306 -0.797 844 HG LEU 105 HG LEU 105 3.654 -4.966 1.827 845 HD11 LEU 105 1HD1 LEU 105 3.904 -2.949 0.474 846 HD12 LEU 105 2HD1 LEU 105 3.578 -3.879 -0.990 847 HD13 LEU 105 3HD1 LEU 105 5.033 -4.201 -0.047 848 HD21 LEU 105 3HD2 LEU 105 1.671 -3.577 1.384 849 HD22 LEU 105 1HD2 LEU 105 1.244 -5.276 1.593 850 HD23 LEU 105 2HD2 LEU 105 1.294 -4.571 -0.023 851 H LEU 106 H LEU 106 0.784 -8.840 -0.047 852 HA LEU 106 HA LEU 106 2.491 -10.478 -1.766 853 HB2 LEU 106 2HB LEU 106 1.284 -12.547 -1.154 854 HB3 LEU 106 3HB LEU 106 2.230 -11.896 0.168 855 HG LEU 106 HG LEU 106 -0.728 -11.339 -0.041 856 HD11 LEU 106 1HD1 LEU 106 0.556 -13.705 1.327 857 HD12 LEU 106 2HD1 LEU 106 -0.470 -13.767 -0.107 858 HD13 LEU 106 3HD1 LEU 106 -1.142 -13.237 1.434 859 HD21 LEU 106 3HD2 LEU 106 1.184 -11.425 2.299 860 HD22 LEU 106 1HD2 LEU 106 -0.536 -11.036 2.381 861 HD23 LEU 106 2HD2 LEU 106 0.571 -9.967 1.518 862 H ASN 107 H ASN 107 1.376 -11.429 -3.556 863 HA ASN 107 HA ASN 107 0.117 -11.015 -5.423 864 HB2 ASN 107 2HB ASN 107 -2.229 -11.972 -5.094 865 HB3 ASN 107 3HB ASN 107 -0.858 -13.000 -4.725 866 HD21 ASN 107 1HD2 ASN 107 -2.174 -10.463 -2.614 867 HD22 ASN 107 2HD2 ASN 107 -2.690 -11.552 -1.388 868 HA PRO 108 HA PRO 108 -1.596 -6.813 -4.738 869 HB2 PRO 108 2HB PRO 108 -0.626 -6.365 -7.479 870 HB3 PRO 108 3HB PRO 108 -0.212 -5.509 -5.992 871 HG2 PRO 108 2HG PRO 108 1.538 -7.137 -7.248 872 HG3 PRO 108 3HG PRO 108 1.515 -6.958 -5.482 873 HD2 PRO 108 2HD PRO 108 0.371 -9.155 -7.183 874 HD3 PRO 108 3HD PRO 108 1.276 -9.268 -5.657 875 H ILE 109 H ILE 109 -3.530 -5.947 -5.434 876 HA ILE 109 HA ILE 109 -5.152 -7.574 -7.216 877 HB ILE 109 HB ILE 109 -5.874 -5.082 -5.653 878 HG12 ILE 109 2HG1 ILE 109 -5.287 -6.961 -4.187 879 HG13 ILE 109 3HG1 ILE 109 -7.021 -6.666 -4.128 880 HG21 ILE 109 1HG2 ILE 109 -7.635 -7.037 -7.147 881 HG22 ILE 109 2HG2 ILE 109 -7.341 -5.352 -7.574 882 HG23 ILE 109 3HG2 ILE 109 -8.215 -5.745 -6.096 883 HD11 ILE 109 3HD1 ILE 109 -7.379 -8.553 -5.656 884 HD12 ILE 109 1HD1 ILE 109 -6.558 -9.035 -4.173 885 HD13 ILE 109 2HD1 ILE 109 -5.641 -8.858 -5.666 886 HA PRO 110 HA PRO 110 -3.994 -5.147 -10.837 887 HB2 PRO 110 2HB PRO 110 -6.474 -6.441 -11.891 888 HB3 PRO 110 3HB PRO 110 -4.857 -6.361 -12.599 889 HG2 PRO 110 2HG PRO 110 -5.713 -8.611 -11.478 890 HG3 PRO 110 3HG PRO 110 -4.037 -8.074 -11.250 891 HD2 PRO 110 2HD PRO 110 -6.354 -7.918 -9.352 892 HD3 PRO 110 3HD PRO 110 -4.647 -8.288 -9.024 893 H LYS 111 H LYS 111 -4.731 -3.301 -11.928 894 HA LYS 111 HA LYS 111 -6.612 -1.722 -10.476 895 HB2 LYS 111 2HB LYS 111 -6.135 0.014 -12.237 896 HB3 LYS 111 3HB LYS 111 -4.733 -0.578 -11.363 897 HG2 LYS 111 2HG LYS 111 -4.134 -2.004 -13.259 898 HG3 LYS 111 3HG LYS 111 -5.557 -1.438 -14.142 899 HD2 LYS 111 2HD LYS 111 -4.687 0.836 -14.143 900 HD3 LYS 111 3HD LYS 111 -3.307 0.340 -13.163 901 HE2 LYS 111 2HE LYS 111 -3.902 -0.735 -15.923 902 HE3 LYS 111 3HE LYS 111 -2.814 0.615 -15.603 903 HZ1 LYS 111 3HZ LYS 111 -2.487 -2.165 -14.604 904 HZ2 LYS 111 1HZ LYS 111 -1.454 -0.873 -14.248 905 HZ3 LYS 111 2HZ LYS 111 -1.588 -1.437 -15.835 906 H ASP 112 H ASP 112 -8.549 -0.779 -11.176 907 HA ASP 112 HA ASP 112 -10.112 -2.546 -12.874 908 HB2 ASP 112 2HB ASP 112 -11.782 -0.464 -11.954 909 HB3 ASP 112 3HB ASP 112 -11.696 -2.113 -11.347 910 H LYS 113 H LYS 113 -10.146 -2.176 -14.979 911 HA LYS 113 HA LYS 113 -9.681 0.402 -16.165 912 HB2 LYS 113 2HB LYS 113 -10.500 -2.277 -17.302 913 HB3 LYS 113 3HB LYS 113 -10.270 -0.850 -18.302 914 HG2 LYS 113 2HG LYS 113 -8.134 -2.006 -16.517 915 HG3 LYS 113 3HG LYS 113 -8.321 -2.412 -18.221 916 HD2 LYS 113 2HD LYS 113 -7.968 0.424 -17.246 917 HD3 LYS 113 3HD LYS 113 -6.608 -0.616 -17.664 918 HE2 LYS 113 2HE LYS 113 -7.100 0.760 -19.561 919 HE3 LYS 113 3HE LYS 113 -7.594 -0.885 -19.943 920 HZ1 LYS 113 3HZ LYS 113 -9.402 1.324 -19.113 921 HZ2 LYS 113 1HZ LYS 113 -9.888 -0.254 -19.470 922 HZ3 LYS 113 2HZ LYS 113 -9.230 0.719 -20.678 923 H LYS 114 H LYS 114 -12.415 -0.997 -14.801 924 HA LYS 114 HA LYS 114 -14.381 0.007 -16.633 925 HB2 LYS 114 2HB LYS 114 -14.574 -1.161 -13.859 926 HB3 LYS 114 3HB LYS 114 -15.981 -0.523 -14.699 927 HG2 LYS 114 2HG LYS 114 -15.908 -2.903 -14.985 928 HG3 LYS 114 3HG LYS 114 -15.578 -2.130 -16.536 929 HD2 LYS 114 2HD LYS 114 -13.137 -2.472 -16.114 930 HD3 LYS 114 3HD LYS 114 -13.561 -3.382 -14.661 931 HE2 LYS 114 2HE LYS 114 -13.123 -4.908 -16.496 932 HE3 LYS 114 3HE LYS 114 -14.830 -4.974 -16.061 933 HZ1 LYS 114 3HZ LYS 114 -15.371 -3.620 -17.941 934 HZ2 LYS 114 1HZ LYS 114 -14.426 -4.914 -18.482 935 HZ3 LYS 114 2HZ LYS 114 -13.743 -3.374 -18.316 936 H TRP 115 H TRP 115 -13.866 2.169 -16.867 937 HA TRP 115 HA TRP 115 -13.864 4.060 -14.727 938 HB2 TRP 115 2HB TRP 115 -14.066 5.733 -16.633 939 HB3 TRP 115 3HB TRP 115 -12.688 4.642 -16.720 940 HD1 TRP 115 HD1 TRP 115 -12.554 2.992 -18.767 941 HE1 TRP 115 HE1 TRP 115 -13.918 2.726 -20.929 942 HE3 TRP 115 HE3 TRP 115 -16.548 5.969 -17.588 943 HZ2 TRP 115 HZ2 TRP 115 -16.366 3.647 -21.998 944 HZ3 TRP 115 HZ3 TRP 115 -18.356 6.220 -19.236 945 HH2 TRP 115 HH2 TRP 115 -18.265 5.082 -21.398 946 H ILE 116 H ILE 116 -16.373 2.273 -15.825 947 HA ILE 116 HA ILE 116 -18.417 4.234 -16.185 948 HB ILE 116 HB ILE 116 -19.975 2.232 -16.014 949 HG12 ILE 116 2HG1 ILE 116 -17.340 0.726 -15.945 950 HG13 ILE 116 3HG1 ILE 116 -18.515 0.792 -14.635 951 HG21 ILE 116 1HG2 ILE 116 -19.222 3.127 -18.144 952 HG22 ILE 116 2HG2 ILE 116 -19.298 1.366 -18.219 953 HG23 ILE 116 3HG2 ILE 116 -17.741 2.176 -18.046 954 HD11 ILE 116 3HD1 ILE 116 -20.148 -0.343 -16.074 955 HD12 ILE 116 1HD1 ILE 116 -18.687 -1.296 -15.819 956 HD13 ILE 116 2HD1 ILE 116 -18.928 -0.447 -17.346 Start of MODEL 13 1 H1 MET 1 1H MET 1 -8.366 -23.030 -29.809 2 H2 MET 1 2H MET 1 -8.263 -23.603 -28.224 3 H3 MET 1 3H MET 1 -6.855 -23.412 -29.144 4 HA MET 1 HA MET 1 -7.193 -21.028 -29.223 5 HB2 MET 1 2HB MET 1 -9.553 -21.655 -27.430 6 HB3 MET 1 3HB MET 1 -8.899 -20.039 -27.669 7 HG2 MET 1 2HG MET 1 -9.404 -20.211 -30.067 8 HG3 MET 1 3HG MET 1 -10.104 -21.805 -29.790 9 HE1 MET 1 3HE MET 1 -13.234 -19.548 -30.513 10 HE2 MET 1 1HE MET 1 -12.334 -20.983 -30.999 11 HE3 MET 1 2HE MET 1 -11.634 -19.379 -31.236 12 H GLY 2 H GLY 2 -5.318 -20.607 -28.209 13 HA2 GLY 2 2HA GLY 2 -5.178 -21.042 -25.289 14 HA3 GLY 2 3HA GLY 2 -3.886 -21.636 -26.320 15 H HIS 3 H HIS 3 -4.547 -19.282 -24.236 16 HA HIS 3 HA HIS 3 -2.688 -17.409 -25.531 17 HB2 HIS 3 2HB HIS 3 -4.005 -15.493 -24.594 18 HB3 HIS 3 3HB HIS 3 -4.831 -16.383 -25.868 19 HD1 HIS 3 HD1 HIS 3 -5.278 -15.156 -22.479 20 HD2 HIS 3 HD2 HIS 3 -6.888 -18.197 -24.802 21 HE1 HIS 3 HE1 HIS 3 -7.401 -15.824 -21.328 22 HE2 HIS 3 HE2 HIS 3 -8.245 -17.798 -22.640 23 H HIS 4 H HIS 4 -0.941 -17.812 -24.302 24 HA HIS 4 HA HIS 4 -1.215 -17.917 -21.370 25 HB2 HIS 4 2HB HIS 4 -0.197 -19.872 -22.464 26 HB3 HIS 4 3HB HIS 4 1.050 -18.844 -23.157 27 HD1 HIS 4 HD1 HIS 4 -0.166 -19.996 -19.744 28 HD2 HIS 4 HD2 HIS 4 3.273 -18.591 -21.600 29 HE1 HIS 4 HE1 HIS 4 1.655 -20.217 -18.035 30 HE2 HIS 4 HE2 HIS 4 3.750 -19.544 -19.246 31 H HIS 5 H HIS 5 -0.230 -16.469 -20.051 32 HA HIS 5 HA HIS 5 0.731 -13.999 -21.107 33 HB2 HIS 5 2HB HIS 5 0.896 -15.074 -18.276 34 HB3 HIS 5 3HB HIS 5 1.165 -13.401 -18.755 35 HD1 HIS 5 HD1 HIS 5 -1.534 -15.908 -18.164 36 HD2 HIS 5 HD2 HIS 5 -1.167 -11.940 -19.343 37 HE1 HIS 5 HE1 HIS 5 -3.841 -14.947 -17.996 38 HE2 HIS 5 HE2 HIS 5 -3.554 -12.506 -18.522 39 H HIS 6 H HIS 6 2.855 -13.061 -20.856 40 HA HIS 6 HA HIS 6 4.985 -15.116 -20.870 41 HB2 HIS 6 2HB HIS 6 4.904 -12.565 -22.489 42 HB3 HIS 6 3HB HIS 6 6.156 -13.800 -22.550 43 HD1 HIS 6 HD1 HIS 6 5.170 -16.275 -23.319 44 HD2 HIS 6 HD2 HIS 6 2.967 -12.905 -24.356 45 HE1 HIS 6 HE1 HIS 6 3.650 -17.006 -25.180 46 HE2 HIS 6 HE2 HIS 6 2.268 -14.981 -25.727 47 H HIS 7 H HIS 7 6.522 -14.920 -19.395 48 HA HIS 7 HA HIS 7 6.580 -12.728 -17.564 49 HB2 HIS 7 2HB HIS 7 7.056 -14.959 -16.778 50 HB3 HIS 7 3HB HIS 7 8.404 -15.122 -17.897 51 HD1 HIS 7 HD1 HIS 7 7.417 -13.386 -14.710 52 HD2 HIS 7 HD2 HIS 7 10.819 -14.065 -16.992 53 HE1 HIS 7 HE1 HIS 7 9.338 -12.629 -13.287 54 HE2 HIS 7 HE2 HIS 7 11.359 -12.880 -14.758 55 H HIS 8 H HIS 8 7.304 -10.797 -18.289 56 HA HIS 8 HA HIS 8 10.141 -10.581 -18.839 57 HB2 HIS 8 2HB HIS 8 9.765 -9.089 -20.839 58 HB3 HIS 8 3HB HIS 8 9.413 -10.792 -21.106 59 HD1 HIS 8 HD1 HIS 8 7.145 -11.333 -22.006 60 HD2 HIS 8 HD2 HIS 8 7.352 -7.467 -20.501 61 HE1 HIS 8 HE1 HIS 8 4.960 -10.259 -22.609 62 HE2 HIS 8 HE2 HIS 8 5.207 -7.867 -21.885 63 H SER 9 H SER 9 10.978 -8.441 -18.540 64 HA SER 9 HA SER 9 9.688 -7.016 -16.452 65 HB2 SER 9 2HB SER 9 12.130 -7.090 -16.650 66 HB3 SER 9 3HB SER 9 12.048 -6.191 -18.165 67 HG SER 9 HG SER 9 12.522 -4.844 -16.369 68 H HIS 10 H HIS 10 9.443 -4.569 -16.553 69 HA HIS 10 HA HIS 10 8.726 -3.225 -18.907 70 HB2 HIS 10 2HB HIS 10 6.231 -3.214 -18.652 71 HB3 HIS 10 3HB HIS 10 6.881 -4.780 -19.122 72 HD1 HIS 10 HD1 HIS 10 6.763 -6.695 -17.351 73 HD2 HIS 10 HD2 HIS 10 4.982 -3.133 -16.150 74 HE1 HIS 10 HE1 HIS 10 5.388 -7.275 -15.330 75 HE2 HIS 10 HE2 HIS 10 4.195 -5.143 -14.727 76 H MET 11 H MET 11 8.964 -1.137 -18.370 77 HA MET 11 HA MET 11 8.661 -0.342 -15.574 78 HB2 MET 11 2HB MET 11 9.718 1.815 -16.362 79 HB3 MET 11 3HB MET 11 10.717 0.379 -16.495 80 HG2 MET 11 2HG MET 11 9.171 1.575 -18.782 81 HG3 MET 11 3HG MET 11 10.862 1.916 -18.437 82 HE1 MET 11 3HE MET 11 12.476 -1.649 -18.908 83 HE2 MET 11 1HE MET 11 11.810 -1.005 -17.403 84 HE3 MET 11 2HE MET 11 12.771 0.031 -18.460 85 H LYS 12 H LYS 12 6.969 0.707 -14.821 86 HA LYS 12 HA LYS 12 5.261 2.292 -16.621 87 HB2 LYS 12 2HB LYS 12 4.360 0.115 -14.721 88 HB3 LYS 12 3HB LYS 12 3.264 1.344 -15.332 89 HG2 LYS 12 2HG LYS 12 4.821 -0.569 -17.069 90 HG3 LYS 12 3HG LYS 12 3.148 -0.804 -16.559 91 HD2 LYS 12 2HD LYS 12 2.550 1.338 -17.667 92 HD3 LYS 12 3HD LYS 12 4.213 1.479 -18.237 93 HE2 LYS 12 2HE LYS 12 3.960 -0.603 -19.501 94 HE3 LYS 12 3HE LYS 12 2.305 -0.764 -18.914 95 HZ1 LYS 12 3HZ LYS 12 1.731 1.274 -20.052 96 HZ2 LYS 12 1HZ LYS 12 2.395 0.172 -21.145 97 HZ3 LYS 12 2HZ LYS 12 3.322 1.471 -20.583 98 HA PRO 13 HA PRO 13 5.459 5.213 -13.214 99 HB2 PRO 13 2HB PRO 13 3.347 6.790 -13.892 100 HB3 PRO 13 3HB PRO 13 4.901 6.849 -14.734 101 HG2 PRO 13 2HG PRO 13 2.387 5.405 -15.509 102 HG3 PRO 13 3HG PRO 13 3.454 6.404 -16.517 103 HD2 PRO 13 2HD PRO 13 3.583 3.708 -16.546 104 HD3 PRO 13 3HD PRO 13 5.036 4.714 -16.734 105 H LEU 14 H LEU 14 4.020 6.080 -11.470 106 HA LEU 14 HA LEU 14 2.894 4.038 -9.991 107 HB2 LEU 14 2HB LEU 14 3.666 6.143 -9.032 108 HB3 LEU 14 3HB LEU 14 2.345 7.000 -9.804 109 HG LEU 14 HG LEU 14 0.727 5.751 -8.410 110 HD11 LEU 14 1HD1 LEU 14 3.176 4.623 -7.049 111 HD12 LEU 14 2HD1 LEU 14 2.046 3.720 -8.060 112 HD13 LEU 14 3HD1 LEU 14 1.501 4.408 -6.531 113 HD21 LEU 14 3HD2 LEU 14 2.878 7.139 -6.807 114 HD22 LEU 14 1HD2 LEU 14 1.198 6.895 -6.318 115 HD23 LEU 14 2HD2 LEU 14 1.576 7.941 -7.687 116 H ALA 15 H ALA 15 1.146 6.465 -11.942 117 HA ALA 15 HA ALA 15 -1.459 5.714 -11.269 118 HB1 ALA 15 3HB ALA 15 -0.950 7.786 -12.429 119 HB2 ALA 15 1HB ALA 15 -2.152 6.856 -13.325 120 HB3 ALA 15 2HB ALA 15 -0.472 6.886 -13.868 121 H GLU 16 H GLU 16 0.706 4.340 -13.702 122 HA GLU 16 HA GLU 16 -1.340 2.754 -14.955 123 HB2 GLU 16 2HB GLU 16 1.673 2.692 -15.179 124 HB3 GLU 16 3HB GLU 16 0.601 1.669 -16.127 125 HG2 GLU 16 2HG GLU 16 0.728 4.678 -16.180 126 HG3 GLU 16 3HG GLU 16 1.303 3.574 -17.427 127 H GLN 17 H GLN 17 1.116 2.206 -12.492 128 HA GLN 17 HA GLN 17 1.299 -0.500 -12.311 129 HB2 GLN 17 2HB GLN 17 1.069 1.487 -10.045 130 HB3 GLN 17 3HB GLN 17 1.559 -0.188 -9.826 131 HG2 GLN 17 2HG GLN 17 2.991 1.831 -11.548 132 HG3 GLN 17 3HG GLN 17 3.468 1.359 -9.916 133 HE21 GLN 17 1HE2 GLN 17 4.945 1.127 -12.408 134 HE22 GLN 17 2HE2 GLN 17 5.318 -0.551 -12.590 135 H ASP 18 H ASP 18 -0.012 -2.162 -11.969 136 HA ASP 18 HA ASP 18 -2.797 -1.808 -11.968 137 HB2 ASP 18 2HB ASP 18 -2.871 -4.285 -11.753 138 HB3 ASP 18 3HB ASP 18 -1.790 -3.721 -13.020 139 H TRP 19 H TRP 19 -0.575 -2.478 -9.313 140 HA TRP 19 HA TRP 19 -2.597 -3.004 -7.374 141 HB2 TRP 19 2HB TRP 19 -0.691 -2.470 -5.726 142 HB3 TRP 19 3HB TRP 19 -0.491 -3.848 -6.799 143 HD1 TRP 19 HD1 TRP 19 1.418 -3.713 -8.640 144 HE1 TRP 19 HE1 TRP 19 3.440 -2.146 -8.939 145 HE3 TRP 19 HE3 TRP 19 0.072 -0.005 -5.380 146 HZ2 TRP 19 HZ2 TRP 19 4.348 0.316 -7.921 147 HZ3 TRP 19 HZ3 TRP 19 1.580 1.920 -5.102 148 HH2 TRP 19 HH2 TRP 19 3.672 2.075 -6.346 149 H TYR 20 H TYR 20 -1.410 -0.060 -8.748 150 HA TYR 20 HA TYR 20 -2.632 1.595 -6.679 151 HB2 TYR 20 2HB TYR 20 -0.620 2.467 -7.753 152 HB3 TYR 20 3HB TYR 20 -1.371 2.330 -9.340 153 HD1 TYR 20 HD2 TYR 20 -1.484 4.177 -6.125 154 HD2 TYR 20 HD1 TYR 20 -2.814 4.044 -10.169 155 HE1 TYR 20 HE2 TYR 20 -2.368 6.461 -5.908 156 HE2 TYR 20 HE1 TYR 20 -3.698 6.326 -9.960 157 HH TYR 20 HH TYR 20 -2.952 8.373 -7.359 158 H HIS 21 H HIS 21 -4.761 2.042 -6.661 159 HA HIS 21 HA HIS 21 -6.296 1.424 -9.103 160 HB2 HIS 21 2HB HIS 21 -7.054 1.250 -6.191 161 HB3 HIS 21 3HB HIS 21 -8.246 1.163 -7.485 162 HD1 HIS 21 HD1 HIS 21 -8.882 -1.203 -7.803 163 HD2 HIS 21 HD2 HIS 21 -4.821 -0.811 -7.031 164 HE1 HIS 21 HE1 HIS 21 -7.943 -3.525 -7.935 165 HE2 HIS 21 HE2 HIS 21 -5.465 -3.224 -7.674 166 H GLY 22 H GLY 22 -5.480 3.827 -9.516 167 HA2 GLY 22 2HA GLY 22 -6.285 5.895 -10.142 168 HA3 GLY 22 3HA GLY 22 -7.720 4.955 -10.476 169 H ALA 23 H ALA 23 -6.428 5.800 -7.277 170 HA ALA 23 HA ALA 23 -7.204 7.133 -5.600 171 HB1 ALA 23 3HB ALA 23 -6.815 8.890 -7.265 172 HB2 ALA 23 1HB ALA 23 -8.172 9.279 -6.206 173 HB3 ALA 23 2HB ALA 23 -8.472 8.701 -7.844 174 H ILE 24 H ILE 24 -8.840 4.818 -6.289 175 HA ILE 24 HA ILE 24 -11.591 5.466 -6.289 176 HB ILE 24 HB ILE 24 -12.034 3.153 -5.704 177 HG12 ILE 24 2HG1 ILE 24 -9.047 2.866 -5.248 178 HG13 ILE 24 3HG1 ILE 24 -10.262 2.897 -3.972 179 HG21 ILE 24 1HG2 ILE 24 -11.447 3.644 -8.006 180 HG22 ILE 24 2HG2 ILE 24 -10.823 2.058 -7.551 181 HG23 ILE 24 3HG2 ILE 24 -9.733 3.443 -7.637 182 HD11 ILE 24 3HD1 ILE 24 -9.998 0.823 -6.137 183 HD12 ILE 24 1HD1 ILE 24 -11.262 0.862 -4.909 184 HD13 ILE 24 2HD1 ILE 24 -9.582 0.635 -4.433 185 HA PRO 25 HA PRO 25 -12.679 6.674 -2.158 186 HB2 PRO 25 2HB PRO 25 -14.911 4.704 -2.431 187 HB3 PRO 25 3HB PRO 25 -14.962 6.413 -1.984 188 HG2 PRO 25 2HG PRO 25 -15.707 5.635 -4.415 189 HG3 PRO 25 3HG PRO 25 -14.785 7.133 -4.188 190 HD2 PRO 25 2HD PRO 25 -13.863 4.470 -5.193 191 HD3 PRO 25 3HD PRO 25 -13.376 6.099 -5.705 192 H ARG 26 H ARG 26 -12.842 5.943 0.014 193 HA ARG 26 HA ARG 26 -11.156 3.857 0.754 194 HB2 ARG 26 2HB ARG 26 -11.581 5.654 2.273 195 HB3 ARG 26 3HB ARG 26 -13.305 5.312 2.299 196 HG2 ARG 26 2HG ARG 26 -12.934 3.264 3.524 197 HG3 ARG 26 3HG ARG 26 -11.185 3.456 3.378 198 HD2 ARG 26 2HD ARG 26 -12.271 4.131 5.599 199 HD3 ARG 26 3HD ARG 26 -11.136 5.261 4.867 200 HE ARG 26 HE ARG 26 -12.931 6.678 4.305 201 HH11 ARG 26 1HH1 ARG 26 -14.008 3.893 6.043 202 HH12 ARG 26 2HH1 ARG 26 -15.507 4.637 6.488 203 HH21 ARG 26 1HH2 ARG 26 -14.844 7.594 4.904 204 HH22 ARG 26 2HH2 ARG 26 -15.969 6.693 5.859 205 H ILE 27 H ILE 27 -14.712 3.867 0.562 206 HA ILE 27 HA ILE 27 -15.194 1.291 1.562 207 HB ILE 27 HB ILE 27 -16.728 2.803 -0.569 208 HG12 ILE 27 2HG1 ILE 27 -17.198 2.560 2.420 209 HG13 ILE 27 3HG1 ILE 27 -16.561 3.982 1.604 210 HG21 ILE 27 1HG2 ILE 27 -18.615 1.339 -0.026 211 HG22 ILE 27 2HG2 ILE 27 -17.595 0.426 1.086 212 HG23 ILE 27 3HG2 ILE 27 -17.247 0.414 -0.643 213 HD11 ILE 27 3HD1 ILE 27 -18.671 4.225 0.392 214 HD12 ILE 27 1HD1 ILE 27 -18.907 4.255 2.138 215 HD13 ILE 27 2HD1 ILE 27 -19.306 2.803 1.222 216 H GLU 28 H GLU 28 -14.877 2.301 -1.847 217 HA GLU 28 HA GLU 28 -14.990 -0.153 -3.107 218 HB2 GLU 28 2HB GLU 28 -13.235 2.212 -3.819 219 HB3 GLU 28 3HB GLU 28 -13.670 0.904 -4.914 220 HG2 GLU 28 2HG GLU 28 -15.729 2.642 -3.587 221 HG3 GLU 28 3HG GLU 28 -14.970 3.075 -5.118 222 H ALA 29 H ALA 29 -12.192 1.394 -1.585 223 HA ALA 29 HA ALA 29 -10.227 -0.450 -2.400 224 HB1 ALA 29 3HB ALA 29 -10.262 1.266 0.082 225 HB2 ALA 29 1HB ALA 29 -9.706 1.768 -1.515 226 HB3 ALA 29 2HB ALA 29 -8.843 0.504 -0.639 227 H GLN 30 H GLN 30 -12.354 -0.449 0.461 228 HA GLN 30 HA GLN 30 -11.025 -2.779 1.569 229 HB2 GLN 30 2HB GLN 30 -12.719 -2.672 3.355 230 HB3 GLN 30 3HB GLN 30 -11.881 -1.145 3.128 231 HG2 GLN 30 2HG GLN 30 -13.775 -0.186 2.031 232 HG3 GLN 30 3HG GLN 30 -14.595 -1.746 1.970 233 HE21 GLN 30 1HE2 GLN 30 -15.573 -2.544 3.822 234 HE22 GLN 30 2HE2 GLN 30 -15.834 -1.569 5.226 235 H GLU 31 H GLU 31 -13.839 -2.158 -0.396 236 HA GLU 31 HA GLU 31 -15.237 -4.563 0.104 237 HB2 GLU 31 2HB GLU 31 -15.283 -2.659 -2.235 238 HB3 GLU 31 3HB GLU 31 -16.357 -4.047 -2.115 239 HG2 GLU 31 2HG GLU 31 -16.192 -1.808 -0.104 240 HG3 GLU 31 3HG GLU 31 -17.403 -1.935 -1.381 241 H LEU 32 H LEU 32 -12.576 -3.842 -2.067 242 HA LEU 32 HA LEU 32 -12.851 -6.320 -3.529 243 HB2 LEU 32 2HB LEU 32 -10.858 -5.667 -4.715 244 HB3 LEU 32 3HB LEU 32 -11.955 -4.308 -4.608 245 HG LEU 32 HG LEU 32 -10.433 -3.676 -2.518 246 HD11 LEU 32 1HD1 LEU 32 -8.081 -4.238 -2.923 247 HD12 LEU 32 2HD1 LEU 32 -8.557 -5.295 -4.251 248 HD13 LEU 32 3HD1 LEU 32 -9.043 -5.677 -2.599 249 HD21 LEU 32 3HD2 LEU 32 -9.608 -3.220 -5.389 250 HD22 LEU 32 1HD2 LEU 32 -9.110 -2.253 -4.001 251 HD23 LEU 32 2HD2 LEU 32 -10.803 -2.282 -4.494 252 H LEU 33 H LEU 33 -11.153 -5.251 -0.690 253 HA LEU 33 HA LEU 33 -9.166 -7.257 -0.535 254 HB2 LEU 33 2HB LEU 33 -10.560 -5.761 1.699 255 HB3 LEU 33 3HB LEU 33 -9.072 -6.674 1.865 256 HG LEU 33 HG LEU 33 -9.406 -4.220 0.128 257 HD11 LEU 33 1HD1 LEU 33 -9.559 -3.648 2.487 258 HD12 LEU 33 2HD1 LEU 33 -8.045 -3.069 1.793 259 HD13 LEU 33 3HD1 LEU 33 -8.054 -4.512 2.809 260 HD21 LEU 33 3HD2 LEU 33 -6.972 -4.286 -0.071 261 HD22 LEU 33 1HD2 LEU 33 -7.704 -5.755 -0.717 262 HD23 LEU 33 2HD2 LEU 33 -6.928 -5.779 0.867 263 H LYS 34 H LYS 34 -9.770 -9.357 -0.775 264 HA LYS 34 HA LYS 34 -12.226 -10.275 0.600 265 HB2 LYS 34 2HB LYS 34 -12.496 -11.850 -1.285 266 HB3 LYS 34 3HB LYS 34 -12.490 -10.171 -1.806 267 HG2 LYS 34 2HG LYS 34 -10.029 -10.488 -2.335 268 HG3 LYS 34 3HG LYS 34 -10.302 -12.211 -2.104 269 HD2 LYS 34 2HD LYS 34 -11.752 -10.466 -4.102 270 HD3 LYS 34 3HD LYS 34 -10.398 -11.528 -4.479 271 HE2 LYS 34 2HE LYS 34 -12.354 -12.688 -5.118 272 HE3 LYS 34 3HE LYS 34 -11.808 -13.438 -3.623 273 HZ1 LYS 34 3HZ LYS 34 -13.897 -11.337 -3.680 274 HZ2 LYS 34 1HZ LYS 34 -13.518 -12.395 -2.414 275 HZ3 LYS 34 2HZ LYS 34 -14.258 -12.982 -3.816 276 H LYS 35 H LYS 35 -8.843 -10.838 0.318 277 HA LYS 35 HA LYS 35 -9.084 -13.176 2.058 278 HB2 LYS 35 2HB LYS 35 -7.505 -14.501 0.713 279 HB3 LYS 35 3HB LYS 35 -8.976 -14.142 -0.180 280 HG2 LYS 35 2HG LYS 35 -7.707 -12.213 -1.229 281 HG3 LYS 35 3HG LYS 35 -6.252 -12.916 -0.523 282 HD2 LYS 35 2HD LYS 35 -6.497 -13.645 -2.828 283 HD3 LYS 35 3HD LYS 35 -6.699 -15.017 -1.735 284 HE2 LYS 35 2HE LYS 35 -9.115 -14.891 -1.972 285 HE3 LYS 35 3HE LYS 35 -8.968 -13.441 -2.965 286 HZ1 LYS 35 3HZ LYS 35 -9.344 -15.508 -4.245 287 HZ2 LYS 35 1HZ LYS 35 -7.848 -16.090 -3.712 288 HZ3 LYS 35 2HZ LYS 35 -7.922 -14.706 -4.680 289 H GLN 36 H GLN 36 -6.936 -13.831 2.974 290 HA GLN 36 HA GLN 36 -5.760 -11.554 4.180 291 HB2 GLN 36 2HB GLN 36 -6.020 -14.005 5.062 292 HB3 GLN 36 3HB GLN 36 -4.482 -14.280 4.256 293 HG2 GLN 36 2HG GLN 36 -3.937 -13.808 6.485 294 HG3 GLN 36 3HG GLN 36 -3.585 -12.322 5.602 295 HE21 GLN 36 1HE2 GLN 36 -5.691 -13.846 7.904 296 HE22 GLN 36 2HE2 GLN 36 -6.467 -12.408 8.448 297 H GLY 37 H GLY 37 -4.576 -10.191 2.888 298 HA2 GLY 37 2HA GLY 37 -2.044 -10.180 2.366 299 HA3 GLY 37 3HA GLY 37 -2.488 -11.384 1.170 300 H ASP 38 H ASP 38 -5.047 -9.936 0.562 301 HA ASP 38 HA ASP 38 -4.264 -8.569 -1.709 302 HB2 ASP 38 2HB ASP 38 -6.768 -8.089 -0.074 303 HB3 ASP 38 3HB ASP 38 -6.532 -7.588 -1.745 304 H PHE 39 H PHE 39 -3.526 -6.560 -2.166 305 HA PHE 39 HA PHE 39 -3.916 -4.392 -0.242 306 HB2 PHE 39 2HB PHE 39 -1.564 -3.760 -0.234 307 HB3 PHE 39 3HB PHE 39 -1.748 -5.402 0.360 308 HD1 PHE 39 HD1 PHE 39 -1.041 -7.317 -1.049 309 HD2 PHE 39 HD2 PHE 39 -0.325 -3.283 -2.223 310 HE1 PHE 39 HE1 PHE 39 0.633 -8.090 -2.674 311 HE2 PHE 39 HE2 PHE 39 1.349 -4.057 -3.854 312 HZ PHE 39 HZ PHE 39 1.829 -6.461 -4.082 313 H LEU 40 H LEU 40 -3.864 -2.322 -1.111 314 HA LEU 40 HA LEU 40 -3.035 -1.930 -3.877 315 HB2 LEU 40 2HB LEU 40 -5.074 -0.952 -4.640 316 HB3 LEU 40 3HB LEU 40 -5.452 -2.541 -4.005 317 HG LEU 40 HG LEU 40 -5.808 -0.093 -2.283 318 HD11 LEU 40 1HD1 LEU 40 -7.012 0.382 -4.340 319 HD12 LEU 40 2HD1 LEU 40 -8.130 0.056 -3.019 320 HD13 LEU 40 3HD1 LEU 40 -7.828 -1.180 -4.242 321 HD21 LEU 40 3HD2 LEU 40 -7.147 -2.798 -2.337 322 HD22 LEU 40 1HD2 LEU 40 -7.520 -1.492 -1.213 323 HD23 LEU 40 2HD2 LEU 40 -5.933 -2.257 -1.182 324 H VAL 41 H VAL 41 -2.531 0.214 -4.388 325 HA VAL 41 HA VAL 41 -2.607 2.131 -2.148 326 HB VAL 41 HB VAL 41 -0.935 2.194 -4.677 327 HG11 VAL 41 1HG1 VAL 41 -0.992 4.098 -2.326 328 HG12 VAL 41 2HG1 VAL 41 -1.464 4.459 -3.988 329 HG13 VAL 41 3HG1 VAL 41 0.222 4.109 -3.605 330 HG21 VAL 41 3HG2 VAL 41 0.961 1.812 -3.162 331 HG22 VAL 41 1HG2 VAL 41 -0.196 0.483 -3.103 332 HG23 VAL 41 2HG2 VAL 41 -0.155 1.675 -1.802 333 H ARG 42 H ARG 42 -3.894 3.863 -2.252 334 HA ARG 42 HA ARG 42 -5.107 4.604 -4.850 335 HB2 ARG 42 2HB ARG 42 -7.241 4.977 -3.761 336 HB3 ARG 42 3HB ARG 42 -6.717 3.333 -3.407 337 HG2 ARG 42 2HG ARG 42 -5.976 4.000 -1.199 338 HG3 ARG 42 3HG ARG 42 -6.349 5.685 -1.551 339 HD2 ARG 42 2HD ARG 42 -8.761 4.840 -1.934 340 HD3 ARG 42 3HD ARG 42 -8.229 3.392 -1.069 341 HE ARG 42 HE ARG 42 -8.039 6.103 0.073 342 HH11 ARG 42 1HH1 ARG 42 -8.833 2.780 0.391 343 HH12 ARG 42 2HH1 ARG 42 -9.249 2.929 2.053 344 HH21 ARG 42 1HH2 ARG 42 -8.562 6.310 2.183 345 HH22 ARG 42 2HH2 ARG 42 -9.093 4.928 3.072 346 H GLU 43 H GLU 43 -5.577 6.841 -5.111 347 HA GLU 43 HA GLU 43 -4.461 8.624 -3.043 348 HB2 GLU 43 2HB GLU 43 -3.734 8.894 -5.433 349 HB3 GLU 43 3HB GLU 43 -5.385 9.350 -5.836 350 HG2 GLU 43 2HG GLU 43 -5.238 11.301 -4.421 351 HG3 GLU 43 3HG GLU 43 -3.638 10.816 -3.861 352 H SER 44 H SER 44 -5.742 10.330 -2.124 353 HA SER 44 HA SER 44 -8.527 9.584 -1.852 354 HB2 SER 44 2HB SER 44 -7.296 10.297 0.130 355 HB3 SER 44 3HB SER 44 -6.997 11.878 -0.593 356 HG SER 44 HG SER 44 -8.863 11.579 0.947 357 H HIS 45 H HIS 45 -10.218 10.389 -2.929 358 HA HIS 45 HA HIS 45 -10.042 12.649 -4.679 359 HB2 HIS 45 2HB HIS 45 -12.369 11.013 -3.667 360 HB3 HIS 45 3HB HIS 45 -12.611 12.431 -4.679 361 HD1 HIS 45 HD1 HIS 45 -13.243 9.371 -5.415 362 HD2 HIS 45 HD2 HIS 45 -10.045 11.661 -6.754 363 HE1 HIS 45 HE1 HIS 45 -12.554 8.350 -7.600 364 HE2 HIS 45 HE2 HIS 45 -10.737 9.852 -8.467 365 H GLY 46 H GLY 46 -10.715 12.264 -1.313 366 HA2 GLY 46 2HA GLY 46 -11.998 14.837 -0.969 367 HA3 GLY 46 3HA GLY 46 -11.453 13.758 0.307 368 H LYS 47 H LYS 47 -8.759 13.493 -0.505 369 HA LYS 47 HA LYS 47 -7.721 16.246 -0.372 370 HB2 LYS 47 2HB LYS 47 -7.641 15.257 1.870 371 HB3 LYS 47 3HB LYS 47 -6.728 13.890 1.248 372 HG2 LYS 47 2HG LYS 47 -4.807 15.179 0.883 373 HG3 LYS 47 3HG LYS 47 -5.702 16.700 0.979 374 HD2 LYS 47 2HD LYS 47 -4.398 16.392 2.998 375 HD3 LYS 47 3HD LYS 47 -6.115 16.277 3.381 376 HE2 LYS 47 2HE LYS 47 -5.914 13.798 3.299 377 HE3 LYS 47 3HE LYS 47 -4.179 13.985 3.054 378 HZ1 LYS 47 3HZ LYS 47 -4.569 13.592 5.344 379 HZ2 LYS 47 1HZ LYS 47 -5.746 14.805 5.433 380 HZ3 LYS 47 2HZ LYS 47 -4.126 15.214 5.191 381 HA PRO 48 HA PRO 48 -5.644 14.411 -4.022 382 HB2 PRO 48 2HB PRO 48 -4.596 16.866 -4.781 383 HB3 PRO 48 3HB PRO 48 -6.165 16.237 -5.292 384 HG2 PRO 48 2HG PRO 48 -5.525 18.173 -3.098 385 HG3 PRO 48 3HG PRO 48 -6.858 18.203 -4.269 386 HD2 PRO 48 2HD PRO 48 -7.248 17.395 -1.743 387 HD3 PRO 48 3HD PRO 48 -8.087 16.610 -3.099 388 H GLY 49 H GLY 49 -3.743 13.402 -3.735 389 HA2 GLY 49 2HA GLY 49 -1.344 13.516 -3.413 390 HA3 GLY 49 3HA GLY 49 -1.601 14.797 -2.241 391 H GLU 50 H GLU 50 -3.944 13.085 -1.152 392 HA GLU 50 HA GLU 50 -2.406 11.670 0.818 393 HB2 GLU 50 2HB GLU 50 -4.576 12.713 1.379 394 HB3 GLU 50 3HB GLU 50 -5.393 11.595 0.296 395 HG2 GLU 50 2HG GLU 50 -4.454 9.728 1.732 396 HG3 GLU 50 3HG GLU 50 -3.984 10.971 2.884 397 H TYR 51 H TYR 51 -1.233 10.021 -0.138 398 HA TYR 51 HA TYR 51 -2.668 7.949 -1.622 399 HB2 TYR 51 2HB TYR 51 0.273 8.326 -1.013 400 HB3 TYR 51 3HB TYR 51 -0.374 6.917 -1.853 401 HD1 TYR 51 HD2 TYR 51 0.208 10.548 -2.091 402 HD2 TYR 51 HD1 TYR 51 -1.099 7.056 -4.144 403 HE1 TYR 51 HE2 TYR 51 0.315 11.766 -4.219 404 HE2 TYR 51 HE1 TYR 51 -0.998 8.268 -6.279 405 HH TYR 51 HH TYR 51 -1.104 10.622 -7.063 406 H VAL 52 H VAL 52 -3.629 6.374 -0.554 407 HA VAL 52 HA VAL 52 -2.590 5.575 2.094 408 HB VAL 52 HB VAL 52 -5.433 5.334 1.072 409 HG11 VAL 52 1HG1 VAL 52 -4.252 4.783 3.803 410 HG12 VAL 52 2HG1 VAL 52 -4.897 3.588 2.677 411 HG13 VAL 52 3HG1 VAL 52 -5.975 4.772 3.416 412 HG21 VAL 52 3HG2 VAL 52 -5.963 7.130 2.654 413 HG22 VAL 52 1HG2 VAL 52 -4.812 7.668 1.431 414 HG23 VAL 52 2HG2 VAL 52 -4.255 7.281 3.058 415 H LEU 53 H LEU 53 -1.795 3.581 2.256 416 HA LEU 53 HA LEU 53 -2.327 1.561 0.236 417 HB2 LEU 53 2HB LEU 53 -0.059 1.780 1.133 418 HB3 LEU 53 3HB LEU 53 -0.651 1.481 2.757 419 HG LEU 53 HG LEU 53 -1.378 -0.813 1.969 420 HD11 LEU 53 1HD1 LEU 53 -0.355 -1.700 -0.060 421 HD12 LEU 53 2HD1 LEU 53 0.312 -0.110 -0.430 422 HD13 LEU 53 3HD1 LEU 53 -1.435 -0.356 -0.427 423 HD21 LEU 53 3HD2 LEU 53 0.865 -1.772 2.101 424 HD22 LEU 53 1HD2 LEU 53 0.649 -0.487 3.289 425 HD23 LEU 53 2HD2 LEU 53 1.571 -0.181 1.817 426 H SER 54 H SER 54 -4.164 0.434 0.373 427 HA SER 54 HA SER 54 -5.222 -0.256 3.039 428 HB2 SER 54 2HB SER 54 -6.625 -0.137 0.353 429 HB3 SER 54 3HB SER 54 -7.378 -0.699 1.845 430 HG SER 54 HG SER 54 -6.320 1.894 1.333 431 H VAL 55 H VAL 55 -4.924 -2.276 3.711 432 HA VAL 55 HA VAL 55 -4.621 -4.447 1.753 433 HB VAL 55 HB VAL 55 -2.364 -3.748 2.134 434 HG11 VAL 55 1HG1 VAL 55 -1.353 -3.585 4.346 435 HG12 VAL 55 2HG1 VAL 55 -2.896 -3.992 5.099 436 HG13 VAL 55 3HG1 VAL 55 -2.721 -2.483 4.202 437 HG21 VAL 55 3HG2 VAL 55 -1.360 -5.764 3.089 438 HG22 VAL 55 1HG2 VAL 55 -2.726 -6.174 2.052 439 HG23 VAL 55 2HG2 VAL 55 -2.908 -6.211 3.808 440 H TYR 56 H TYR 56 -5.332 -6.432 2.420 441 HA TYR 56 HA TYR 56 -6.900 -6.514 4.862 442 HB2 TYR 56 2HB TYR 56 -7.606 -7.407 2.555 443 HB3 TYR 56 3HB TYR 56 -6.540 -8.766 2.878 444 HD1 TYR 56 HD1 TYR 56 -9.657 -7.077 3.856 445 HD2 TYR 56 HD2 TYR 56 -7.161 -10.468 4.501 446 HE1 TYR 56 HE1 TYR 56 -11.488 -8.192 5.054 447 HE2 TYR 56 HE2 TYR 56 -8.990 -11.589 5.696 448 HH TYR 56 HH TYR 56 -11.054 -10.901 6.971 449 H SER 57 H SER 57 -5.702 -6.835 6.672 450 HA SER 57 HA SER 57 -3.920 -9.188 6.762 451 HB2 SER 57 2HB SER 57 -2.442 -7.275 6.511 452 HB3 SER 57 3HB SER 57 -3.253 -6.430 7.829 453 HG SER 57 HG SER 57 -2.338 -7.768 9.283 454 H ASP 58 H ASP 58 -3.923 -10.337 8.637 455 HA ASP 58 HA ASP 58 -4.711 -11.209 10.580 456 HB2 ASP 58 2HB ASP 58 -5.279 -8.340 11.378 457 HB3 ASP 58 3HB ASP 58 -5.089 -9.718 12.461 458 H GLY 59 H GLY 59 -6.566 -10.378 8.271 459 HA2 GLY 59 2HA GLY 59 -8.797 -10.935 7.860 460 HA3 GLY 59 3HA GLY 59 -9.064 -11.083 9.589 461 H GLN 60 H GLN 60 -7.517 -8.206 9.095 462 HA GLN 60 HA GLN 60 -10.059 -6.694 9.083 463 HB2 GLN 60 2HB GLN 60 -7.404 -5.988 10.369 464 HB3 GLN 60 3HB GLN 60 -8.864 -5.012 10.436 465 HG2 GLN 60 2HG GLN 60 -9.991 -6.660 11.758 466 HG3 GLN 60 3HG GLN 60 -8.670 -7.808 11.539 467 HE21 GLN 60 1HE2 GLN 60 -9.676 -4.876 13.133 468 HE22 GLN 60 2HE2 GLN 60 -8.424 -4.867 14.320 469 H ARG 61 H ARG 61 -10.133 -4.687 7.941 470 HA ARG 61 HA ARG 61 -8.307 -4.511 5.687 471 HB2 ARG 61 2HB ARG 61 -10.663 -2.778 6.474 472 HB3 ARG 61 3HB ARG 61 -9.706 -2.544 5.019 473 HG2 ARG 61 2HG ARG 61 -11.650 -3.683 4.347 474 HG3 ARG 61 3HG ARG 61 -10.365 -4.887 4.342 475 HD2 ARG 61 2HD ARG 61 -11.160 -5.886 6.329 476 HD3 ARG 61 3HD ARG 61 -12.202 -4.511 6.695 477 HE ARG 61 HE ARG 61 -12.786 -6.025 4.268 478 HH11 ARG 61 1HH1 ARG 61 -13.548 -5.374 7.563 479 HH12 ARG 61 2HH1 ARG 61 -15.146 -6.019 7.433 480 HH21 ARG 61 1HH2 ARG 61 -14.841 -6.824 4.114 481 HH22 ARG 61 2HH2 ARG 61 -15.878 -6.806 5.500 482 H ARG 62 H ARG 62 -6.338 -3.749 6.191 483 HA ARG 62 HA ARG 62 -5.940 -1.679 8.179 484 HB2 ARG 62 2HB ARG 62 -3.928 -3.002 6.346 485 HB3 ARG 62 3HB ARG 62 -3.558 -2.021 7.756 486 HG2 ARG 62 2HG ARG 62 -4.999 -4.673 7.795 487 HG3 ARG 62 3HG ARG 62 -3.296 -4.423 8.183 488 HD2 ARG 62 2HD ARG 62 -3.995 -2.906 10.030 489 HD3 ARG 62 3HD ARG 62 -5.677 -3.310 9.675 490 HE ARG 62 HE ARG 62 -4.534 -5.732 10.052 491 HH11 ARG 62 1HH1 ARG 62 -4.625 -2.854 11.939 492 HH12 ARG 62 2HH1 ARG 62 -4.440 -3.702 13.435 493 HH21 ARG 62 1HH2 ARG 62 -4.275 -6.803 11.976 494 HH22 ARG 62 2HH2 ARG 62 -4.253 -5.907 13.456 495 H HIS 63 H HIS 63 -4.878 0.347 7.768 496 HA HIS 63 HA HIS 63 -4.805 1.277 4.984 497 HB2 HIS 63 2HB HIS 63 -6.310 2.801 7.131 498 HB3 HIS 63 3HB HIS 63 -6.148 3.250 5.436 499 HD1 HIS 63 HD1 HIS 63 -7.297 1.407 3.721 500 HD2 HIS 63 HD2 HIS 63 -8.567 1.390 7.679 501 HE1 HIS 63 HE1 HIS 63 -9.526 0.251 3.709 502 HE2 HIS 63 HE2 HIS 63 -10.173 0.079 6.135 503 H PHE 64 H PHE 64 -2.865 2.202 4.688 504 HA PHE 64 HA PHE 64 -1.632 3.682 6.932 505 HB2 PHE 64 2HB PHE 64 -0.153 2.062 4.839 506 HB3 PHE 64 3HB PHE 64 0.553 2.880 6.230 507 HD1 PHE 64 HD2 PHE 64 -0.383 2.131 8.566 508 HD2 PHE 64 HD1 PHE 64 -0.657 -0.193 5.004 509 HE1 PHE 64 HE2 PHE 64 -0.696 0.099 9.916 510 HE2 PHE 64 HE1 PHE 64 -0.969 -2.227 6.353 511 HZ PHE 64 HZ PHE 64 -0.990 -2.085 8.810 512 H ILE 65 H ILE 65 -1.648 5.802 6.455 513 HA ILE 65 HA ILE 65 -1.625 6.806 3.757 514 HB ILE 65 HB ILE 65 -1.300 8.304 6.373 515 HG12 ILE 65 2HG1 ILE 65 -3.763 7.807 4.675 516 HG13 ILE 65 3HG1 ILE 65 -3.434 7.095 6.248 517 HG21 ILE 65 1HG2 ILE 65 -0.455 9.583 4.464 518 HG22 ILE 65 2HG2 ILE 65 -1.936 10.299 5.099 519 HG23 ILE 65 3HG2 ILE 65 -1.983 9.345 3.616 520 HD11 ILE 65 3HD1 ILE 65 -3.541 9.320 7.265 521 HD12 ILE 65 1HD1 ILE 65 -5.034 8.900 6.425 522 HD13 ILE 65 2HD1 ILE 65 -3.891 10.017 5.681 523 H ILE 66 H ILE 66 0.071 7.719 2.625 524 HA ILE 66 HA ILE 66 2.742 7.093 3.612 525 HB ILE 66 HB ILE 66 1.857 8.099 0.898 526 HG12 ILE 66 2HG1 ILE 66 2.613 5.308 1.824 527 HG13 ILE 66 3HG1 ILE 66 0.985 5.849 1.431 528 HG21 ILE 66 1HG2 ILE 66 4.100 7.410 0.140 529 HG22 ILE 66 2HG2 ILE 66 4.538 7.031 1.806 530 HG23 ILE 66 3HG2 ILE 66 4.178 8.695 1.346 531 HD11 ILE 66 3HD1 ILE 66 3.294 5.666 -0.493 532 HD12 ILE 66 1HD1 ILE 66 1.659 6.196 -0.887 533 HD13 ILE 66 2HD1 ILE 66 1.947 4.535 -0.368 534 H GLN 67 H GLN 67 3.994 8.552 4.594 535 HA GLN 67 HA GLN 67 3.574 11.422 4.180 536 HB2 GLN 67 2HB GLN 67 5.395 9.917 6.076 537 HB3 GLN 67 3HB GLN 67 5.360 11.668 5.944 538 HG2 GLN 67 2HG GLN 67 4.060 11.090 7.830 539 HG3 GLN 67 3HG GLN 67 2.935 11.585 6.567 540 HE21 GLN 67 1HE2 GLN 67 1.231 10.462 7.522 541 HE22 GLN 67 2HE2 GLN 67 1.132 8.737 7.467 542 H TYR 68 H TYR 68 5.253 12.843 3.498 543 HA TYR 68 HA TYR 68 7.352 11.533 1.874 544 HB2 TYR 68 2HB TYR 68 5.600 12.602 0.515 545 HB3 TYR 68 3HB TYR 68 5.896 14.132 1.329 546 HD1 TYR 68 HD1 TYR 68 7.964 11.531 -0.422 547 HD2 TYR 68 HD2 TYR 68 7.079 15.667 0.070 548 HE1 TYR 68 HE1 TYR 68 9.641 12.088 -2.127 549 HE2 TYR 68 HE2 TYR 68 8.757 16.230 -1.635 550 HH TYR 68 HH TYR 68 10.752 15.279 -2.637 551 H VAL 69 H VAL 69 9.220 11.729 2.988 552 HA VAL 69 HA VAL 69 10.002 14.405 3.971 553 HB VAL 69 HB VAL 69 10.446 11.827 5.508 554 HG11 VAL 69 1HG1 VAL 69 11.330 13.271 7.282 555 HG12 VAL 69 2HG1 VAL 69 11.127 14.679 6.239 556 HG13 VAL 69 3HG1 VAL 69 12.277 13.415 5.802 557 HG21 VAL 69 3HG2 VAL 69 8.103 12.550 5.608 558 HG22 VAL 69 1HG2 VAL 69 8.617 14.148 6.151 559 HG23 VAL 69 2HG2 VAL 69 8.897 12.736 7.173 560 H ASP 70 H ASP 70 12.012 15.016 3.359 561 HA ASP 70 HA ASP 70 13.997 15.011 2.259 562 HB2 ASP 70 2HB ASP 70 14.234 12.559 3.999 563 HB3 ASP 70 3HB ASP 70 15.574 13.110 2.996 564 H ASN 71 H ASN 71 12.051 14.222 0.599 565 HA ASN 71 HA ASN 71 11.738 13.398 -1.489 566 HB2 ASN 71 2HB ASN 71 14.634 12.576 -1.219 567 HB3 ASN 71 3HB ASN 71 13.701 12.409 -2.702 568 HD21 ASN 71 1HD2 ASN 71 15.017 13.798 -3.839 569 HD22 ASN 71 2HD2 ASN 71 15.039 15.503 -3.561 570 H MET 72 H MET 72 12.005 11.478 1.142 571 HA MET 72 HA MET 72 11.617 8.975 -0.383 572 HB2 MET 72 2HB MET 72 12.487 9.329 2.495 573 HB3 MET 72 3HB MET 72 12.250 7.787 1.684 574 HG2 MET 72 2HG MET 72 14.052 8.328 0.122 575 HG3 MET 72 3HG MET 72 14.291 9.875 0.936 576 HE1 MET 72 3HE MET 72 17.469 7.825 1.986 577 HE2 MET 72 1HE MET 72 16.885 9.340 1.295 578 HE3 MET 72 2HE MET 72 16.643 7.823 0.428 579 H TYR 73 H TYR 73 9.688 8.069 -0.387 580 HA TYR 73 HA TYR 73 7.522 9.039 1.273 581 HB2 TYR 73 2HB TYR 73 7.613 6.841 -0.814 582 HB3 TYR 73 3HB TYR 73 6.150 7.419 -0.027 583 HD1 TYR 73 HD2 TYR 73 5.268 9.671 -0.537 584 HD2 TYR 73 HD1 TYR 73 8.652 8.099 -2.589 585 HE1 TYR 73 HE2 TYR 73 4.998 11.380 -2.283 586 HE2 TYR 73 HE1 TYR 73 8.391 9.801 -4.341 587 HH TYR 73 HH TYR 73 6.333 12.504 -3.990 588 H ARG 74 H ARG 74 6.817 8.119 3.115 589 HA ARG 74 HA ARG 74 7.688 5.380 3.799 590 HB2 ARG 74 2HB ARG 74 8.128 6.117 6.115 591 HB3 ARG 74 3HB ARG 74 9.194 6.900 4.957 592 HG2 ARG 74 2HG ARG 74 6.766 8.446 5.459 593 HG3 ARG 74 3HG ARG 74 7.705 8.157 6.923 594 HD2 ARG 74 2HD ARG 74 8.927 9.215 4.379 595 HD3 ARG 74 3HD ARG 74 8.256 10.266 5.627 596 HE ARG 74 HE ARG 74 9.905 9.046 7.144 597 HH11 ARG 74 1HH1 ARG 74 10.501 9.664 3.807 598 HH12 ARG 74 2HH1 ARG 74 12.212 9.747 4.025 599 HH21 ARG 74 1HH2 ARG 74 12.092 9.148 7.401 600 HH22 ARG 74 2HH2 ARG 74 13.106 9.427 6.024 601 H PHE 75 H PHE 75 6.377 4.311 5.411 602 HA PHE 75 HA PHE 75 3.619 5.278 5.551 603 HB2 PHE 75 2HB PHE 75 4.864 2.647 6.387 604 HB3 PHE 75 3HB PHE 75 3.158 3.036 6.580 605 HD1 PHE 75 HD1 PHE 75 1.906 3.769 4.413 606 HD2 PHE 75 HD2 PHE 75 5.573 1.593 4.429 607 HE1 PHE 75 HE1 PHE 75 1.448 2.983 2.132 608 HE2 PHE 75 HE2 PHE 75 5.110 0.807 2.140 609 HZ PHE 75 HZ PHE 75 3.050 1.505 0.990 610 H GLU 76 H GLU 76 5.997 3.979 7.921 611 HA GLU 76 HA GLU 76 4.887 5.897 9.875 612 HB2 GLU 76 2HB GLU 76 5.689 4.443 11.663 613 HB3 GLU 76 3HB GLU 76 4.578 3.594 10.599 614 HG2 GLU 76 2HG GLU 76 6.346 2.356 9.597 615 HG3 GLU 76 3HG GLU 76 7.571 3.358 10.375 616 H GLY 77 H GLY 77 7.925 4.462 8.714 617 HA2 GLY 77 2HA GLY 77 9.314 6.969 9.208 618 HA3 GLY 77 3HA GLY 77 9.865 5.612 10.180 619 H THR 78 H THR 78 10.358 3.567 8.824 620 HA THR 78 HA THR 78 12.312 4.109 6.867 621 HB THR 78 HB THR 78 10.832 1.509 7.370 622 HG1 THR 78 HG1 THR 78 13.109 1.218 8.407 623 HG21 THR 78 3HG2 THR 78 12.770 0.419 6.329 624 HG22 THR 78 1HG2 THR 78 13.469 1.997 5.967 625 HG23 THR 78 2HG2 THR 78 11.966 1.498 5.190 626 H GLY 79 H GLY 79 12.134 4.571 4.732 627 HA2 GLY 79 2HA GLY 79 9.904 3.485 3.185 628 HA3 GLY 79 3HA GLY 79 9.985 5.234 3.311 629 H PHE 80 H PHE 80 10.019 4.709 0.885 630 HA PHE 80 HA PHE 80 12.827 4.595 -0.032 631 HB2 PHE 80 2HB PHE 80 10.393 3.316 -1.305 632 HB3 PHE 80 3HB PHE 80 11.912 3.547 -2.161 633 HD1 PHE 80 HD1 PHE 80 10.475 1.936 0.879 634 HD2 PHE 80 HD2 PHE 80 13.579 1.930 -2.033 635 HE1 PHE 80 HE1 PHE 80 11.290 -0.206 1.763 636 HE2 PHE 80 HE2 PHE 80 14.402 -0.215 -1.148 637 HZ PHE 80 HZ PHE 80 13.258 -1.285 0.747 638 H SER 81 H SER 81 13.290 5.830 -1.953 639 HA SER 81 HA SER 81 12.113 8.398 -1.882 640 HB2 SER 81 2HB SER 81 13.941 7.202 -3.979 641 HB3 SER 81 3HB SER 81 13.566 8.918 -3.812 642 HG SER 81 HG SER 81 15.047 9.028 -2.340 643 H ASN 82 H ASN 82 11.336 5.587 -3.748 644 HA ASN 82 HA ASN 82 9.359 7.161 -5.295 645 HB2 ASN 82 2HB ASN 82 10.654 4.525 -6.055 646 HB3 ASN 82 3HB ASN 82 9.429 5.373 -6.993 647 HD21 ASN 82 1HD2 ASN 82 10.796 5.486 -8.764 648 HD22 ASN 82 2HD2 ASN 82 12.140 6.570 -8.822 649 H ILE 83 H ILE 83 7.229 6.612 -5.072 650 HA ILE 83 HA ILE 83 6.330 4.824 -3.100 651 HB ILE 83 HB ILE 83 4.787 5.855 -5.497 652 HG12 ILE 83 2HG1 ILE 83 4.963 6.887 -2.648 653 HG13 ILE 83 3HG1 ILE 83 5.665 7.657 -4.067 654 HG21 ILE 83 1HG2 ILE 83 3.794 4.593 -2.936 655 HG22 ILE 83 2HG2 ILE 83 3.702 3.896 -4.554 656 HG23 ILE 83 3HG2 ILE 83 2.773 5.344 -4.165 657 HD11 ILE 83 3HD1 ILE 83 3.415 8.005 -4.974 658 HD12 ILE 83 1HD1 ILE 83 3.629 8.774 -3.402 659 HD13 ILE 83 2HD1 ILE 83 2.729 7.264 -3.527 660 HA PRO 84 HA PRO 84 5.537 1.663 -6.868 661 HB2 PRO 84 2HB PRO 84 7.671 1.926 -8.672 662 HB3 PRO 84 3HB PRO 84 6.000 2.414 -8.964 663 HG2 PRO 84 2HG PRO 84 8.332 4.067 -8.089 664 HG3 PRO 84 3HG PRO 84 7.014 4.480 -9.202 665 HD2 PRO 84 2HD PRO 84 7.048 5.423 -6.703 666 HD3 PRO 84 3HD PRO 84 5.520 4.922 -7.462 667 H GLN 85 H GLN 85 8.879 2.753 -6.187 668 HA GLN 85 HA GLN 85 9.916 0.109 -5.911 669 HB2 GLN 85 2HB GLN 85 10.998 2.839 -5.247 670 HB3 GLN 85 3HB GLN 85 11.886 1.380 -4.831 671 HG2 GLN 85 2HG GLN 85 10.994 2.098 -7.623 672 HG3 GLN 85 3HG GLN 85 12.603 2.409 -6.968 673 HE21 GLN 85 1HE2 GLN 85 10.369 -0.066 -8.011 674 HE22 GLN 85 2HE2 GLN 85 11.530 -1.335 -8.134 675 H LEU 86 H LEU 86 8.603 2.450 -3.642 676 HA LEU 86 HA LEU 86 9.274 1.267 -1.213 677 HB2 LEU 86 2HB LEU 86 8.169 3.429 -1.375 678 HB3 LEU 86 3HB LEU 86 6.734 2.685 -2.051 679 HG LEU 86 HG LEU 86 6.330 1.534 0.108 680 HD11 LEU 86 1HD1 LEU 86 8.609 1.395 0.941 681 HD12 LEU 86 2HD1 LEU 86 7.580 2.231 2.102 682 HD13 LEU 86 3HD1 LEU 86 8.685 3.153 1.083 683 HD21 LEU 86 3HD2 LEU 86 6.620 4.536 0.285 684 HD22 LEU 86 1HD2 LEU 86 5.646 3.537 1.364 685 HD23 LEU 86 2HD2 LEU 86 5.230 3.653 -0.346 686 H ILE 87 H ILE 87 6.286 0.731 -3.098 687 HA ILE 87 HA ILE 87 5.403 -1.481 -1.544 688 HB ILE 87 HB ILE 87 4.618 -0.663 -4.349 689 HG12 ILE 87 2HG1 ILE 87 4.198 1.095 -2.688 690 HG13 ILE 87 3HG1 ILE 87 2.684 0.405 -3.258 691 HG21 ILE 87 1HG2 ILE 87 2.564 -1.972 -3.941 692 HG22 ILE 87 2HG2 ILE 87 3.249 -2.547 -2.421 693 HG23 ILE 87 3HG2 ILE 87 4.011 -2.979 -3.952 694 HD11 ILE 87 3HD1 ILE 87 4.037 -0.216 -0.640 695 HD12 ILE 87 1HD1 ILE 87 2.531 -0.932 -1.212 696 HD13 ILE 87 2HD1 ILE 87 2.612 0.796 -0.871 697 H ASP 88 H ASP 88 6.918 -1.330 -4.786 698 HA ASP 88 HA ASP 88 6.957 -4.033 -5.385 699 HB2 ASP 88 2HB ASP 88 7.529 -2.414 -7.067 700 HB3 ASP 88 3HB ASP 88 8.911 -1.848 -6.132 701 H HIS 89 H HIS 89 9.571 -2.170 -3.784 702 HA HIS 89 HA HIS 89 11.272 -4.413 -3.530 703 HB2 HIS 89 2HB HIS 89 11.900 -1.916 -3.382 704 HB3 HIS 89 3HB HIS 89 11.439 -2.037 -1.686 705 HD1 HIS 89 HD1 HIS 89 13.982 -3.291 -4.146 706 HD2 HIS 89 HD2 HIS 89 13.281 -3.380 -0.053 707 HE1 HIS 89 HE1 HIS 89 16.082 -4.203 -3.124 708 HE2 HIS 89 HE2 HIS 89 15.667 -4.182 -0.646 709 H HIS 90 H HIS 90 8.822 -3.064 -1.321 710 HA HIS 90 HA HIS 90 9.404 -4.840 0.829 711 HB2 HIS 90 2HB HIS 90 7.053 -3.151 0.082 712 HB3 HIS 90 3HB HIS 90 6.824 -4.402 1.300 713 HD1 HIS 90 HD1 HIS 90 8.154 -1.020 0.821 714 HD2 HIS 90 HD2 HIS 90 8.468 -4.043 3.649 715 HE1 HIS 90 HE1 HIS 90 9.104 0.072 2.869 716 HE2 HIS 90 HE2 HIS 90 9.473 -1.817 4.486 717 H TYR 91 H TYR 91 7.164 -5.100 -1.919 718 HA TYR 91 HA TYR 91 5.981 -7.554 -1.203 719 HB2 TYR 91 2HB TYR 91 5.005 -6.073 -2.884 720 HB3 TYR 91 3HB TYR 91 6.392 -6.313 -3.939 721 HD1 TYR 91 HD1 TYR 91 3.400 -7.934 -2.499 722 HD2 TYR 91 HD2 TYR 91 6.556 -8.260 -5.338 723 HE1 TYR 91 HE1 TYR 91 2.260 -9.843 -3.543 724 HE2 TYR 91 HE2 TYR 91 5.423 -10.172 -6.385 725 HH TYR 91 HH TYR 91 3.762 -11.910 -5.746 726 H THR 92 H THR 92 8.767 -6.849 -3.294 727 HA THR 92 HA THR 92 9.233 -9.549 -4.058 728 HB THR 92 HB THR 92 11.448 -8.708 -4.881 729 HG1 THR 92 HG1 THR 92 10.683 -6.069 -4.417 730 HG21 THR 92 3HG2 THR 92 10.513 -7.245 -6.617 731 HG22 THR 92 1HG2 THR 92 9.043 -7.044 -5.663 732 HG23 THR 92 2HG2 THR 92 9.460 -8.627 -6.319 733 H THR 93 H THR 93 10.331 -7.639 -1.321 734 HA THR 93 HA THR 93 12.247 -9.720 -0.533 735 HB THR 93 HB THR 93 12.832 -8.267 1.356 736 HG1 THR 93 HG1 THR 93 11.290 -6.141 0.420 737 HG21 THR 93 3HG2 THR 93 12.734 -6.784 -1.280 738 HG22 THR 93 1HG2 THR 93 13.993 -7.905 -0.761 739 HG23 THR 93 2HG2 THR 93 13.769 -6.375 0.087 740 H LYS 94 H LYS 94 8.979 -9.051 -0.106 741 HA LYS 94 HA LYS 94 7.332 -10.030 1.110 742 HB2 LYS 94 2HB LYS 94 8.841 -12.075 0.587 743 HB3 LYS 94 3HB LYS 94 9.357 -11.950 2.261 744 HG2 LYS 94 2HG LYS 94 7.628 -13.594 2.122 745 HG3 LYS 94 3HG LYS 94 6.977 -12.180 2.954 746 HD2 LYS 94 2HD LYS 94 5.908 -11.448 0.864 747 HD3 LYS 94 3HD LYS 94 6.560 -12.864 0.038 748 HE2 LYS 94 2HE LYS 94 4.597 -12.874 2.330 749 HE3 LYS 94 3HE LYS 94 4.230 -13.221 0.642 750 HZ1 LYS 94 3HZ LYS 94 5.712 -15.144 0.771 751 HZ2 LYS 94 1HZ LYS 94 4.453 -15.249 1.899 752 HZ3 LYS 94 2HZ LYS 94 6.006 -14.819 2.409 753 H GLN 95 H GLN 95 9.069 -7.894 2.251 754 HA GLN 95 HA GLN 95 9.126 -8.457 5.112 755 HB2 GLN 95 2HB GLN 95 10.013 -6.059 3.500 756 HB3 GLN 95 3HB GLN 95 10.096 -6.130 5.257 757 HG2 GLN 95 2HG GLN 95 11.479 -8.053 3.390 758 HG3 GLN 95 3HG GLN 95 12.241 -6.658 4.151 759 HE21 GLN 95 1HE2 GLN 95 12.701 -6.725 6.357 760 HE22 GLN 95 2HE2 GLN 95 12.663 -8.191 7.264 761 H VAL 96 H VAL 96 8.357 -6.657 6.610 762 HA VAL 96 HA VAL 96 5.520 -6.411 6.203 763 HB VAL 96 HB VAL 96 5.429 -5.503 8.464 764 HG11 VAL 96 1HG1 VAL 96 7.267 -7.891 8.237 765 HG12 VAL 96 2HG1 VAL 96 5.503 -7.919 8.219 766 HG13 VAL 96 3HG1 VAL 96 6.361 -7.430 9.681 767 HG21 VAL 96 3HG2 VAL 96 7.427 -4.118 8.453 768 HG22 VAL 96 1HG2 VAL 96 8.452 -5.551 8.370 769 HG23 VAL 96 2HG2 VAL 96 7.482 -5.239 9.811 770 H ILE 97 H ILE 97 4.291 -4.461 6.449 771 HA ILE 97 HA ILE 97 5.418 -2.170 5.088 772 HB ILE 97 HB ILE 97 2.650 -2.690 6.204 773 HG12 ILE 97 2HG1 ILE 97 3.264 -4.072 4.261 774 HG13 ILE 97 3HG1 ILE 97 2.013 -2.906 3.837 775 HG21 ILE 97 1HG2 ILE 97 3.600 -0.341 4.555 776 HG22 ILE 97 2HG2 ILE 97 3.085 -0.292 6.239 777 HG23 ILE 97 3HG2 ILE 97 1.922 -0.690 4.977 778 HD11 ILE 97 3HD1 ILE 97 3.669 -3.086 2.082 779 HD12 ILE 97 1HD1 ILE 97 4.951 -2.658 3.214 780 HD13 ILE 97 2HD1 ILE 97 3.707 -1.477 2.798 781 H THR 98 H THR 98 3.491 -2.317 8.109 782 HA THR 98 HA THR 98 5.397 -0.403 9.308 783 HB THR 98 HB THR 98 3.583 0.445 10.745 784 HG1 THR 98 HG1 THR 98 1.419 -0.141 10.246 785 HG21 THR 98 3HG2 THR 98 4.072 1.620 8.655 786 HG22 THR 98 1HG2 THR 98 2.356 1.712 9.047 787 HG23 THR 98 2HG2 THR 98 2.915 0.599 7.801 788 H LYS 99 H LYS 99 6.204 -0.827 11.275 789 HA LYS 99 HA LYS 99 6.239 -3.486 12.236 790 HB2 LYS 99 2HB LYS 99 7.066 -0.981 13.724 791 HB3 LYS 99 3HB LYS 99 7.630 -2.620 14.025 792 HG2 LYS 99 2HG LYS 99 8.156 -1.005 11.529 793 HG3 LYS 99 3HG LYS 99 9.301 -1.278 12.842 794 HD2 LYS 99 2HD LYS 99 8.079 -3.453 11.128 795 HD3 LYS 99 3HD LYS 99 9.681 -2.755 10.885 796 HE2 LYS 99 2HE LYS 99 8.754 -4.224 13.358 797 HE3 LYS 99 3HE LYS 99 9.791 -4.887 12.095 798 HZ1 LYS 99 3HZ LYS 99 11.087 -4.141 13.981 799 HZ2 LYS 99 1HZ LYS 99 10.447 -2.579 13.852 800 HZ3 LYS 99 2HZ LYS 99 11.440 -3.191 12.627 801 H LYS 100 H LYS 100 4.321 -0.687 13.061 802 HA LYS 100 HA LYS 100 3.268 -1.435 15.539 803 HB2 LYS 100 2HB LYS 100 2.154 0.207 13.273 804 HB3 LYS 100 3HB LYS 100 1.189 -0.110 14.702 805 HG2 LYS 100 2HG LYS 100 2.177 2.041 14.938 806 HG3 LYS 100 3HG LYS 100 2.968 0.960 16.077 807 HD2 LYS 100 2HD LYS 100 4.234 1.310 13.402 808 HD3 LYS 100 3HD LYS 100 4.323 2.662 14.527 809 HE2 LYS 100 2HE LYS 100 5.240 -0.157 15.105 810 HE3 LYS 100 3HE LYS 100 6.290 1.190 14.672 811 HZ1 LYS 100 3HZ LYS 100 6.256 0.839 17.049 812 HZ2 LYS 100 1HZ LYS 100 4.577 1.033 17.095 813 HZ3 LYS 100 2HZ LYS 100 5.570 2.337 16.679 814 H SER 101 H SER 101 2.378 -2.499 12.301 815 HA SER 101 HA SER 101 0.098 -4.028 13.384 816 HB2 SER 101 2HB SER 101 -0.728 -4.126 11.070 817 HB3 SER 101 3HB SER 101 -0.426 -2.457 11.556 818 HG SER 101 HG SER 101 1.063 -2.305 10.074 819 H GLY 102 H GLY 102 2.767 -4.392 11.034 820 HA2 GLY 102 2HA GLY 102 4.133 -6.301 10.767 821 HA3 GLY 102 3HA GLY 102 2.996 -7.233 11.731 822 H VAL 103 H VAL 103 2.301 -5.211 8.910 823 HA VAL 103 HA VAL 103 0.877 -7.418 7.660 824 HB VAL 103 HB VAL 103 1.202 -4.565 6.700 825 HG11 VAL 103 1HG1 VAL 103 -0.752 -5.069 5.292 826 HG12 VAL 103 2HG1 VAL 103 -0.710 -6.743 5.841 827 HG13 VAL 103 3HG1 VAL 103 0.628 -6.090 4.895 828 HG21 VAL 103 3HG2 VAL 103 0.080 -4.643 8.870 829 HG22 VAL 103 1HG2 VAL 103 -1.062 -5.838 8.253 830 HG23 VAL 103 2HG2 VAL 103 -1.057 -4.200 7.596 831 H VAL 104 H VAL 104 1.682 -8.682 6.090 832 HA VAL 104 HA VAL 104 4.127 -7.851 4.669 833 HB VAL 104 HB VAL 104 2.899 -10.615 4.908 834 HG11 VAL 104 1HG1 VAL 104 5.567 -9.769 3.765 835 HG12 VAL 104 2HG1 VAL 104 4.176 -10.333 2.838 836 HG13 VAL 104 3HG1 VAL 104 4.998 -11.428 3.951 837 HG21 VAL 104 3HG2 VAL 104 4.757 -11.115 6.419 838 HG22 VAL 104 1HG2 VAL 104 3.759 -9.806 7.053 839 HG23 VAL 104 2HG2 VAL 104 5.316 -9.446 6.302 840 H LEU 105 H LEU 105 4.230 -7.949 2.377 841 HA LEU 105 HA LEU 105 1.632 -7.660 1.064 842 HB2 LEU 105 2HB LEU 105 4.425 -7.114 0.047 843 HB3 LEU 105 3HB LEU 105 2.951 -6.803 -0.852 844 HG LEU 105 HG LEU 105 3.837 -5.428 1.692 845 HD11 LEU 105 1HD1 LEU 105 3.477 -4.388 -1.121 846 HD12 LEU 105 2HD1 LEU 105 5.018 -4.702 -0.322 847 HD13 LEU 105 3HD1 LEU 105 3.952 -3.437 0.289 848 HD21 LEU 105 3HD2 LEU 105 1.833 -4.039 1.446 849 HD22 LEU 105 1HD2 LEU 105 1.416 -5.731 1.711 850 HD23 LEU 105 2HD2 LEU 105 1.302 -5.038 0.094 851 H LEU 106 H LEU 106 0.720 -9.397 0.191 852 HA LEU 106 HA LEU 106 2.290 -11.031 -1.655 853 HB2 LEU 106 2HB LEU 106 1.262 -13.127 -0.854 854 HB3 LEU 106 3HB LEU 106 2.332 -12.398 0.321 855 HG LEU 106 HG LEU 106 -0.675 -12.110 0.453 856 HD11 LEU 106 1HD1 LEU 106 -0.086 -14.484 0.560 857 HD12 LEU 106 2HD1 LEU 106 -0.657 -13.894 2.120 858 HD13 LEU 106 3HD1 LEU 106 1.069 -14.144 1.850 859 HD21 LEU 106 3HD2 LEU 106 -0.257 -11.538 2.788 860 HD22 LEU 106 1HD2 LEU 106 0.618 -10.443 1.715 861 HD23 LEU 106 2HD2 LEU 106 1.480 -11.741 2.543 862 H ASN 107 H ASN 107 0.819 -12.443 -3.019 863 HA ASN 107 HA ASN 107 -0.489 -12.097 -4.883 864 HB2 ASN 107 2HB ASN 107 -2.886 -12.711 -4.306 865 HB3 ASN 107 3HB ASN 107 -1.626 -13.829 -3.822 866 HD21 ASN 107 1HD2 ASN 107 -2.550 -10.855 -2.102 867 HD22 ASN 107 2HD2 ASN 107 -3.132 -11.675 -0.708 868 HA PRO 108 HA PRO 108 -1.511 -7.641 -4.569 869 HB2 PRO 108 2HB PRO 108 -0.757 -7.023 -7.112 870 HB3 PRO 108 3HB PRO 108 0.389 -7.157 -5.773 871 HG2 PRO 108 2HG PRO 108 -0.299 -9.182 -7.881 872 HG3 PRO 108 3HG PRO 108 1.297 -8.704 -7.270 873 HD2 PRO 108 2HD PRO 108 0.048 -10.953 -6.430 874 HD3 PRO 108 3HD PRO 108 1.089 -9.995 -5.355 875 H ILE 109 H ILE 109 -3.235 -6.433 -5.377 876 HA ILE 109 HA ILE 109 -5.131 -7.871 -7.114 877 HB ILE 109 HB ILE 109 -5.618 -5.515 -5.275 878 HG12 ILE 109 2HG1 ILE 109 -5.202 -7.589 -4.037 879 HG13 ILE 109 3HG1 ILE 109 -6.898 -7.135 -3.912 880 HG21 ILE 109 1HG2 ILE 109 -7.576 -7.121 -6.923 881 HG22 ILE 109 2HG2 ILE 109 -7.103 -5.446 -7.205 882 HG23 ILE 109 3HG2 ILE 109 -8.002 -5.875 -5.750 883 HD11 ILE 109 3HD1 ILE 109 -6.601 -9.536 -4.233 884 HD12 ILE 109 1HD1 ILE 109 -5.783 -9.234 -5.765 885 HD13 ILE 109 2HD1 ILE 109 -7.485 -8.808 -5.574 886 HA PRO 110 HA PRO 110 -3.727 -4.812 -10.146 887 HB2 PRO 110 2HB PRO 110 -4.740 -6.015 -12.332 888 HB3 PRO 110 3HB PRO 110 -3.311 -6.638 -11.498 889 HG2 PRO 110 2HG PRO 110 -6.161 -7.558 -11.303 890 HG3 PRO 110 3HG PRO 110 -4.683 -8.526 -11.461 891 HD2 PRO 110 2HD PRO 110 -5.937 -8.099 -9.072 892 HD3 PRO 110 3HD PRO 110 -4.188 -8.369 -9.217 893 H LYS 111 H LYS 111 -4.836 -3.602 -11.997 894 HA LYS 111 HA LYS 111 -7.735 -3.409 -11.755 895 HB2 LYS 111 2HB LYS 111 -7.718 -0.947 -11.657 896 HB3 LYS 111 3HB LYS 111 -6.991 -1.674 -10.239 897 HG2 LYS 111 2HG LYS 111 -5.597 0.120 -10.669 898 HG3 LYS 111 3HG LYS 111 -4.735 -1.219 -11.425 899 HD2 LYS 111 2HD LYS 111 -5.242 -0.493 -13.583 900 HD3 LYS 111 3HD LYS 111 -6.632 0.452 -13.049 901 HE2 LYS 111 2HE LYS 111 -4.751 1.875 -13.745 902 HE3 LYS 111 3HE LYS 111 -5.166 2.111 -12.050 903 HZ1 LYS 111 3HZ LYS 111 -2.767 2.008 -12.438 904 HZ2 LYS 111 1HZ LYS 111 -2.916 0.430 -13.031 905 HZ3 LYS 111 2HZ LYS 111 -3.286 0.769 -11.413 906 H ASP 112 H ASP 112 -8.790 -2.935 -13.632 907 HA ASP 112 HA ASP 112 -7.286 -3.192 -16.073 908 HB2 ASP 112 2HB ASP 112 -10.243 -2.771 -15.585 909 HB3 ASP 112 3HB ASP 112 -9.524 -3.120 -17.155 910 H LYS 113 H LYS 113 -7.172 -1.721 -17.790 911 HA LYS 113 HA LYS 113 -7.359 1.087 -17.222 912 HB2 LYS 113 2HB LYS 113 -7.009 -0.364 -19.867 913 HB3 LYS 113 3HB LYS 113 -6.800 1.364 -19.627 914 HG2 LYS 113 2HG LYS 113 -5.161 -0.684 -18.146 915 HG3 LYS 113 3HG LYS 113 -4.689 -0.050 -19.723 916 HD2 LYS 113 2HD LYS 113 -5.219 1.678 -17.296 917 HD3 LYS 113 3HD LYS 113 -3.618 1.105 -17.764 918 HE2 LYS 113 2HE LYS 113 -3.864 2.254 -19.935 919 HE3 LYS 113 3HE LYS 113 -5.441 2.850 -19.425 920 HZ1 LYS 113 3HZ LYS 113 -3.736 4.518 -19.128 921 HZ2 LYS 113 1HZ LYS 113 -2.845 3.489 -18.128 922 HZ3 LYS 113 2HZ LYS 113 -4.359 4.057 -17.626 923 H LYS 114 H LYS 114 -9.618 1.116 -16.511 924 HA LYS 114 HA LYS 114 -11.565 1.118 -18.730 925 HB2 LYS 114 2HB LYS 114 -13.196 -0.051 -17.313 926 HB3 LYS 114 3HB LYS 114 -11.759 -1.033 -17.564 927 HG2 LYS 114 2HG LYS 114 -10.978 -0.638 -15.366 928 HG3 LYS 114 3HG LYS 114 -12.125 0.676 -15.116 929 HD2 LYS 114 2HD LYS 114 -12.775 -1.365 -13.913 930 HD3 LYS 114 3HD LYS 114 -13.975 -0.887 -15.111 931 HE2 LYS 114 2HE LYS 114 -13.030 -2.570 -16.669 932 HE3 LYS 114 3HE LYS 114 -11.915 -3.074 -15.401 933 HZ1 LYS 114 3HZ LYS 114 -13.879 -4.499 -15.540 934 HZ2 LYS 114 1HZ LYS 114 -14.874 -3.174 -15.190 935 HZ3 LYS 114 2HZ LYS 114 -13.768 -3.731 -14.038 936 H TRP 115 H TRP 115 -13.518 2.302 -18.315 937 HA TRP 115 HA TRP 115 -13.411 4.168 -16.022 938 HB2 TRP 115 2HB TRP 115 -14.839 4.458 -18.682 939 HB3 TRP 115 3HB TRP 115 -14.935 5.613 -17.357 940 HD1 TRP 115 HD1 TRP 115 -12.640 4.468 -20.175 941 HE1 TRP 115 HE1 TRP 115 -10.692 6.131 -20.396 942 HE3 TRP 115 HE3 TRP 115 -13.476 7.268 -15.974 943 HZ2 TRP 115 HZ2 TRP 115 -9.647 8.331 -18.981 944 HZ3 TRP 115 HZ3 TRP 115 -11.952 9.135 -15.481 945 HH2 TRP 115 HH2 TRP 115 -10.076 9.656 -16.954 946 H ILE 116 H ILE 116 -14.752 1.329 -16.875 947 HA ILE 116 HA ILE 116 -17.247 1.811 -15.398 948 HB ILE 116 HB ILE 116 -18.427 0.207 -16.949 949 HG12 ILE 116 2HG1 ILE 116 -16.239 -0.613 -18.020 950 HG13 ILE 116 3HG1 ILE 116 -17.587 -0.301 -19.108 951 HG21 ILE 116 1HG2 ILE 116 -18.926 1.933 -18.630 952 HG22 ILE 116 2HG2 ILE 116 -17.527 2.857 -18.079 953 HG23 ILE 116 3HG2 ILE 116 -18.886 2.581 -16.991 954 HD11 ILE 116 3HD1 ILE 116 -15.258 1.541 -18.621 955 HD12 ILE 116 1HD1 ILE 116 -16.586 1.819 -19.748 956 HD13 ILE 116 2HD1 ILE 116 -15.471 0.480 -20.012 Start of MODEL 14 1 H1 MET 1 1H MET 1 14.842 -1.829 -34.495 2 H2 MET 1 2H MET 1 15.130 -1.900 -36.157 3 H3 MET 1 3H MET 1 14.112 -3.035 -35.426 4 HA MET 1 HA MET 1 13.590 -0.127 -35.598 5 HB2 MET 1 2HB MET 1 12.401 -2.442 -37.144 6 HB3 MET 1 3HB MET 1 11.773 -0.799 -37.178 7 HG2 MET 1 2HG MET 1 13.871 -0.005 -38.138 8 HG3 MET 1 3HG MET 1 14.525 -1.643 -38.082 9 HE1 MET 1 3HE MET 1 15.120 -1.435 -40.697 10 HE2 MET 1 1HE MET 1 14.443 0.192 -40.701 11 HE3 MET 1 2HE MET 1 13.934 -0.978 -41.919 12 H GLY 2 H GLY 2 11.492 0.511 -34.843 13 HA2 GLY 2 2HA GLY 2 9.600 0.378 -33.513 14 HA3 GLY 2 3HA GLY 2 9.811 -1.365 -33.436 15 H HIS 3 H HIS 3 11.038 1.698 -32.127 16 HA HIS 3 HA HIS 3 12.462 0.411 -29.969 17 HB2 HIS 3 2HB HIS 3 13.206 2.540 -31.045 18 HB3 HIS 3 3HB HIS 3 11.810 3.350 -30.345 19 HD1 HIS 3 HD1 HIS 3 14.777 1.307 -29.090 20 HD2 HIS 3 HD2 HIS 3 12.404 4.534 -27.966 21 HE1 HIS 3 HE1 HIS 3 15.776 2.164 -26.953 22 HE2 HIS 3 HE2 HIS 3 14.406 4.189 -26.360 23 H HIS 4 H HIS 4 9.842 -0.429 -29.853 24 HA HIS 4 HA HIS 4 8.347 1.091 -27.911 25 HB2 HIS 4 2HB HIS 4 6.907 -1.086 -27.939 26 HB3 HIS 4 3HB HIS 4 6.934 -0.048 -29.357 27 HD1 HIS 4 HD1 HIS 4 6.738 -1.579 -31.292 28 HD2 HIS 4 HD2 HIS 4 9.448 -3.004 -28.483 29 HE1 HIS 4 HE1 HIS 4 7.748 -3.636 -32.316 30 HE2 HIS 4 HE2 HIS 4 9.502 -4.376 -30.676 31 H HIS 5 H HIS 5 11.095 -0.289 -27.335 32 HA HIS 5 HA HIS 5 10.340 -1.057 -24.608 33 HB2 HIS 5 2HB HIS 5 11.932 -2.728 -26.527 34 HB3 HIS 5 3HB HIS 5 12.326 -2.788 -24.814 35 HD1 HIS 5 HD1 HIS 5 11.070 -4.466 -23.513 36 HD2 HIS 5 HD2 HIS 5 9.054 -3.393 -26.980 37 HE1 HIS 5 HE1 HIS 5 9.031 -5.921 -23.582 38 HE2 HIS 5 HE2 HIS 5 7.766 -5.171 -25.620 39 H HIS 6 H HIS 6 11.615 -0.213 -23.060 40 HA HIS 6 HA HIS 6 13.834 1.501 -23.863 41 HB2 HIS 6 2HB HIS 6 12.114 2.349 -22.291 42 HB3 HIS 6 3HB HIS 6 12.559 1.095 -21.140 43 HD1 HIS 6 HD1 HIS 6 15.269 1.249 -20.457 44 HD2 HIS 6 HD2 HIS 6 13.376 4.691 -21.810 45 HE1 HIS 6 HE1 HIS 6 16.680 3.154 -19.641 46 HE2 HIS 6 HE2 HIS 6 15.425 5.220 -20.326 47 H HIS 7 H HIS 7 15.679 0.349 -24.193 48 HA HIS 7 HA HIS 7 16.371 -2.084 -23.019 49 HB2 HIS 7 2HB HIS 7 17.414 -1.196 -25.073 50 HB3 HIS 7 3HB HIS 7 18.237 0.035 -24.122 51 HD1 HIS 7 HD1 HIS 7 20.399 -0.628 -22.993 52 HD2 HIS 7 HD2 HIS 7 18.402 -3.860 -24.670 53 HE1 HIS 7 HE1 HIS 7 22.004 -2.548 -22.860 54 HE2 HIS 7 HE2 HIS 7 20.842 -4.440 -24.037 55 H HIS 8 H HIS 8 17.377 -2.699 -21.187 56 HA HIS 8 HA HIS 8 18.328 -2.663 -19.130 57 HB2 HIS 8 2HB HIS 8 20.148 -1.410 -20.289 58 HB3 HIS 8 3HB HIS 8 19.340 0.097 -19.882 59 HD1 HIS 8 HD1 HIS 8 21.273 -2.728 -18.317 60 HD2 HIS 8 HD2 HIS 8 19.794 1.018 -17.293 61 HE1 HIS 8 HE1 HIS 8 22.282 -2.195 -16.087 62 HE2 HIS 8 HE2 HIS 8 21.502 0.136 -15.561 63 H SER 9 H SER 9 15.722 -2.256 -19.013 64 HA SER 9 HA SER 9 15.362 -0.952 -16.538 65 HB2 SER 9 2HB SER 9 15.449 1.126 -17.812 66 HB3 SER 9 3HB SER 9 14.210 0.531 -18.916 67 HG SER 9 HG SER 9 13.629 1.982 -17.010 68 H HIS 10 H HIS 10 13.386 -1.363 -15.587 69 HA HIS 10 HA HIS 10 11.195 -2.421 -17.212 70 HB2 HIS 10 2HB HIS 10 10.819 -4.311 -15.647 71 HB3 HIS 10 3HB HIS 10 12.347 -4.448 -16.505 72 HD1 HIS 10 HD1 HIS 10 11.025 -3.424 -13.094 73 HD2 HIS 10 HD2 HIS 10 14.522 -4.784 -14.888 74 HE1 HIS 10 HE1 HIS 10 12.614 -3.887 -11.204 75 HE2 HIS 10 HE2 HIS 10 14.687 -4.797 -12.310 76 H MET 11 H MET 11 11.567 0.085 -15.981 77 HA MET 11 HA MET 11 9.931 0.081 -13.552 78 HB2 MET 11 2HB MET 11 11.425 2.310 -14.952 79 HB3 MET 11 3HB MET 11 10.525 2.497 -13.452 80 HG2 MET 11 2HG MET 11 12.928 0.724 -13.859 81 HG3 MET 11 3HG MET 11 12.912 2.284 -13.037 82 HE1 MET 11 3HE MET 11 14.031 1.260 -10.848 83 HE2 MET 11 1HE MET 11 14.136 -0.283 -11.695 84 HE3 MET 11 2HE MET 11 13.453 -0.215 -10.071 85 H LYS 12 H LYS 12 7.819 0.576 -13.550 86 HA LYS 12 HA LYS 12 6.697 2.094 -15.821 87 HB2 LYS 12 2HB LYS 12 5.664 -0.207 -14.284 88 HB3 LYS 12 3HB LYS 12 4.494 1.080 -14.523 89 HG2 LYS 12 2HG LYS 12 5.116 0.940 -17.010 90 HG3 LYS 12 3HG LYS 12 5.879 -0.599 -16.593 91 HD2 LYS 12 2HD LYS 12 3.738 -1.383 -15.652 92 HD3 LYS 12 3HD LYS 12 2.998 0.150 -16.104 93 HE2 LYS 12 2HE LYS 12 4.323 -1.552 -18.184 94 HE3 LYS 12 3HE LYS 12 2.692 -1.931 -17.635 95 HZ1 LYS 12 3HZ LYS 12 2.842 -0.477 -19.642 96 HZ2 LYS 12 1HZ LYS 12 3.467 0.745 -18.655 97 HZ3 LYS 12 2HZ LYS 12 1.902 0.151 -18.385 98 HA PRO 13 HA PRO 13 5.669 5.482 -13.142 99 HB2 PRO 13 2HB PRO 13 3.299 6.310 -14.194 100 HB3 PRO 13 3HB PRO 13 4.844 6.549 -15.023 101 HG2 PRO 13 2HG PRO 13 2.822 4.356 -15.413 102 HG3 PRO 13 3HG PRO 13 3.605 5.358 -16.643 103 HD2 PRO 13 2HD PRO 13 4.502 2.905 -16.133 104 HD3 PRO 13 3HD PRO 13 5.640 4.234 -16.450 105 H LEU 14 H LEU 14 4.301 6.104 -11.394 106 HA LEU 14 HA LEU 14 3.119 4.118 -9.864 107 HB2 LEU 14 2HB LEU 14 3.802 6.261 -8.941 108 HB3 LEU 14 3HB LEU 14 2.563 7.088 -9.866 109 HG LEU 14 HG LEU 14 0.816 5.925 -8.555 110 HD11 LEU 14 1HD1 LEU 14 3.140 4.815 -6.977 111 HD12 LEU 14 2HD1 LEU 14 2.022 3.895 -7.986 112 HD13 LEU 14 3HD1 LEU 14 1.440 4.690 -6.526 113 HD21 LEU 14 3HD2 LEU 14 2.856 7.400 -6.879 114 HD22 LEU 14 1HD2 LEU 14 1.161 7.147 -6.460 115 HD23 LEU 14 2HD2 LEU 14 1.584 8.134 -7.856 116 H ALA 15 H ALA 15 1.566 6.364 -12.132 117 HA ALA 15 HA ALA 15 -1.104 5.700 -11.674 118 HB1 ALA 15 3HB ALA 15 -0.396 7.612 -13.017 119 HB2 ALA 15 1HB ALA 15 -1.552 6.611 -13.896 120 HB3 ALA 15 2HB ALA 15 0.167 6.524 -14.284 121 H GLU 16 H GLU 16 1.339 3.885 -13.406 122 HA GLU 16 HA GLU 16 -0.684 2.121 -14.604 123 HB2 GLU 16 2HB GLU 16 2.138 2.755 -15.223 124 HB3 GLU 16 3HB GLU 16 1.652 1.093 -15.492 125 HG2 GLU 16 2HG GLU 16 0.183 3.451 -16.653 126 HG3 GLU 16 3HG GLU 16 1.483 2.597 -17.485 127 H GLN 17 H GLN 17 0.820 2.206 -11.702 128 HA GLN 17 HA GLN 17 1.765 -0.467 -11.450 129 HB2 GLN 17 2HB GLN 17 0.867 1.502 -9.337 130 HB3 GLN 17 3HB GLN 17 1.657 -0.034 -8.995 131 HG2 GLN 17 2HG GLN 17 2.849 2.234 -10.586 132 HG3 GLN 17 3HG GLN 17 3.218 1.854 -8.906 133 HE21 GLN 17 1HE2 GLN 17 4.961 1.939 -11.276 134 HE22 GLN 17 2HE2 GLN 17 5.698 0.382 -11.359 135 H ASP 18 H ASP 18 0.713 -2.312 -11.119 136 HA ASP 18 HA ASP 18 -2.020 -2.562 -11.602 137 HB2 ASP 18 2HB ASP 18 -1.631 -4.952 -10.685 138 HB3 ASP 18 3HB ASP 18 -0.726 -4.438 -12.107 139 H TRP 19 H TRP 19 -0.324 -2.462 -8.499 140 HA TRP 19 HA TRP 19 -2.700 -2.996 -6.967 141 HB2 TRP 19 2HB TRP 19 -1.127 -2.165 -5.041 142 HB3 TRP 19 3HB TRP 19 -0.825 -3.711 -5.823 143 HD1 TRP 19 HD1 TRP 19 1.436 -4.019 -7.077 144 HE1 TRP 19 HE1 TRP 19 3.532 -2.564 -7.373 145 HE3 TRP 19 HE3 TRP 19 -0.388 0.420 -5.296 146 HZ2 TRP 19 HZ2 TRP 19 4.318 0.101 -6.904 147 HZ3 TRP 19 HZ3 TRP 19 1.109 2.372 -5.259 148 HH2 TRP 19 HH2 TRP 19 3.412 2.212 -6.046 149 H TYR 20 H TYR 20 -1.527 -0.185 -8.485 150 HA TYR 20 HA TYR 20 -2.685 1.671 -6.565 151 HB2 TYR 20 2HB TYR 20 -0.654 2.356 -7.710 152 HB3 TYR 20 3HB TYR 20 -1.422 2.134 -9.280 153 HD1 TYR 20 HD2 TYR 20 -1.739 4.104 -6.124 154 HD2 TYR 20 HD1 TYR 20 -2.479 3.956 -10.317 155 HE1 TYR 20 HE2 TYR 20 -2.503 6.439 -6.073 156 HE2 TYR 20 HE1 TYR 20 -3.246 6.290 -10.269 157 HH TYR 20 HH TYR 20 -2.672 8.368 -7.731 158 H HIS 21 H HIS 21 -4.876 1.778 -6.495 159 HA HIS 21 HA HIS 21 -6.393 1.378 -8.977 160 HB2 HIS 21 2HB HIS 21 -7.200 1.244 -6.079 161 HB3 HIS 21 3HB HIS 21 -8.383 1.250 -7.381 162 HD1 HIS 21 HD1 HIS 21 -9.126 -1.013 -7.981 163 HD2 HIS 21 HD2 HIS 21 -5.187 -1.003 -6.651 164 HE1 HIS 21 HE1 HIS 21 -8.402 -3.413 -8.000 165 HE2 HIS 21 HE2 HIS 21 -5.957 -3.350 -7.412 166 H GLY 22 H GLY 22 -5.391 3.704 -9.333 167 HA2 GLY 22 2HA GLY 22 -5.946 5.902 -9.828 168 HA3 GLY 22 3HA GLY 22 -7.353 5.067 -10.438 169 H ALA 23 H ALA 23 -6.395 5.889 -7.090 170 HA ALA 23 HA ALA 23 -7.349 7.210 -5.499 171 HB1 ALA 23 3HB ALA 23 -8.266 9.344 -6.215 172 HB2 ALA 23 1HB ALA 23 -8.402 8.750 -7.871 173 HB3 ALA 23 2HB ALA 23 -6.812 8.954 -7.133 174 H ILE 24 H ILE 24 -8.943 4.890 -6.341 175 HA ILE 24 HA ILE 24 -11.689 5.529 -6.493 176 HB ILE 24 HB ILE 24 -12.136 3.221 -5.829 177 HG12 ILE 24 2HG1 ILE 24 -9.157 2.986 -5.278 178 HG13 ILE 24 3HG1 ILE 24 -10.399 3.074 -4.033 179 HG21 ILE 24 1HG2 ILE 24 -11.497 3.632 -8.128 180 HG22 ILE 24 2HG2 ILE 24 -10.850 2.078 -7.599 181 HG23 ILE 24 3HG2 ILE 24 -9.789 3.485 -7.709 182 HD11 ILE 24 3HD1 ILE 24 -10.096 0.892 -6.089 183 HD12 ILE 24 1HD1 ILE 24 -11.366 0.984 -4.868 184 HD13 ILE 24 2HD1 ILE 24 -9.683 0.792 -4.377 185 HA PRO 25 HA PRO 25 -12.977 6.652 -2.365 186 HB2 PRO 25 2HB PRO 25 -15.128 4.603 -2.570 187 HB3 PRO 25 3HB PRO 25 -15.252 6.340 -2.266 188 HG2 PRO 25 2HG PRO 25 -15.932 5.336 -4.635 189 HG3 PRO 25 3HG PRO 25 -15.065 6.882 -4.525 190 HD2 PRO 25 2HD PRO 25 -14.005 4.158 -5.225 191 HD3 PRO 25 3HD PRO 25 -13.636 5.736 -5.959 192 H ARG 26 H ARG 26 -12.932 5.984 -0.188 193 HA ARG 26 HA ARG 26 -11.262 3.898 0.565 194 HB2 ARG 26 2HB ARG 26 -11.804 5.774 2.050 195 HB3 ARG 26 3HB ARG 26 -13.459 5.197 2.197 196 HG2 ARG 26 2HG ARG 26 -12.528 3.082 3.203 197 HG3 ARG 26 3HG ARG 26 -10.958 3.881 3.243 198 HD2 ARG 26 2HD ARG 26 -12.026 4.073 5.403 199 HD3 ARG 26 3HD ARG 26 -11.929 5.664 4.650 200 HE ARG 26 HE ARG 26 -14.328 5.316 4.035 201 HH11 ARG 26 1HH1 ARG 26 -12.974 3.636 6.722 202 HH12 ARG 26 2HH1 ARG 26 -14.490 3.509 7.542 203 HH21 ARG 26 1HH2 ARG 26 -16.262 5.155 5.107 204 HH22 ARG 26 2HH2 ARG 26 -16.324 4.370 6.647 205 H ILE 27 H ILE 27 -14.814 3.954 0.480 206 HA ILE 27 HA ILE 27 -15.320 1.430 1.549 207 HB ILE 27 HB ILE 27 -16.875 2.869 -0.617 208 HG12 ILE 27 2HG1 ILE 27 -17.219 2.839 2.400 209 HG13 ILE 27 3HG1 ILE 27 -16.627 4.193 1.443 210 HG21 ILE 27 1HG2 ILE 27 -18.784 1.491 0.083 211 HG22 ILE 27 2HG2 ILE 27 -17.741 0.612 1.200 212 HG23 ILE 27 3HG2 ILE 27 -17.464 0.499 -0.539 213 HD11 ILE 27 3HD1 ILE 27 -18.937 4.509 2.093 214 HD12 ILE 27 1HD1 ILE 27 -19.387 3.002 1.297 215 HD13 ILE 27 2HD1 ILE 27 -18.795 4.362 0.342 216 H GLU 28 H GLU 28 -15.104 2.275 -1.924 217 HA GLU 28 HA GLU 28 -15.268 -0.263 -3.003 218 HB2 GLU 28 2HB GLU 28 -13.616 2.070 -4.004 219 HB3 GLU 28 3HB GLU 28 -14.054 0.655 -4.958 220 HG2 GLU 28 2HG GLU 28 -15.977 2.659 -3.776 221 HG3 GLU 28 3HG GLU 28 -15.480 2.566 -5.464 222 H ALA 29 H ALA 29 -12.465 1.331 -1.590 223 HA ALA 29 HA ALA 29 -10.473 -0.472 -2.419 224 HB1 ALA 29 3HB ALA 29 -9.973 1.716 -1.441 225 HB2 ALA 29 1HB ALA 29 -9.131 0.420 -0.590 226 HB3 ALA 29 2HB ALA 29 -10.567 1.156 0.122 227 H GLN 30 H GLN 30 -12.456 -0.463 0.567 228 HA GLN 30 HA GLN 30 -11.295 -2.917 1.521 229 HB2 GLN 30 2HB GLN 30 -12.954 -2.842 3.303 230 HB3 GLN 30 3HB GLN 30 -12.187 -1.270 3.106 231 HG2 GLN 30 2HG GLN 30 -14.112 -0.369 2.042 232 HG3 GLN 30 3HG GLN 30 -14.851 -1.960 1.888 233 HE21 GLN 30 1HE2 GLN 30 -16.692 -1.381 2.973 234 HE22 GLN 30 2HE2 GLN 30 -16.729 -1.077 4.677 235 H GLU 31 H GLU 31 -14.040 -2.107 -0.479 236 HA GLU 31 HA GLU 31 -15.568 -4.451 -0.168 237 HB2 GLU 31 2HB GLU 31 -15.310 -2.638 -2.581 238 HB3 GLU 31 3HB GLU 31 -16.547 -3.873 -2.386 239 HG2 GLU 31 2HG GLU 31 -16.177 -1.437 -0.648 240 HG3 GLU 31 3HG GLU 31 -17.416 -1.659 -1.878 241 H LEU 32 H LEU 32 -12.642 -3.881 -2.003 242 HA LEU 32 HA LEU 32 -12.953 -6.441 -3.403 243 HB2 LEU 32 2HB LEU 32 -11.087 -5.755 -4.782 244 HB3 LEU 32 3HB LEU 32 -12.307 -4.504 -4.730 245 HG LEU 32 HG LEU 32 -10.717 -3.550 -2.798 246 HD11 LEU 32 1HD1 LEU 32 -8.352 -3.851 -3.540 247 HD12 LEU 32 2HD1 LEU 32 -8.894 -5.185 -4.553 248 HD13 LEU 32 3HD1 LEU 32 -9.079 -5.274 -2.802 249 HD21 LEU 32 3HD2 LEU 32 -9.712 -2.089 -4.482 250 HD22 LEU 32 1HD2 LEU 32 -11.424 -2.345 -4.808 251 HD23 LEU 32 2HD2 LEU 32 -10.211 -3.198 -5.760 252 H LEU 33 H LEU 33 -11.950 -5.631 -0.466 253 HA LEU 33 HA LEU 33 -9.577 -7.367 -0.384 254 HB2 LEU 33 2HB LEU 33 -10.794 -5.560 1.715 255 HB3 LEU 33 3HB LEU 33 -9.334 -6.504 1.932 256 HG LEU 33 HG LEU 33 -9.686 -4.256 -0.060 257 HD11 LEU 33 1HD1 LEU 33 -8.092 -4.349 2.502 258 HD12 LEU 33 2HD1 LEU 33 -9.594 -3.459 2.248 259 HD13 LEU 33 3HD1 LEU 33 -8.144 -3.010 1.352 260 HD21 LEU 33 3HD2 LEU 33 -7.262 -5.926 0.615 261 HD22 LEU 33 1HD2 LEU 33 -7.259 -4.496 -0.416 262 HD23 LEU 33 2HD2 LEU 33 -8.152 -5.933 -0.907 263 H LYS 34 H LYS 34 -9.977 -9.488 -0.040 264 HA LYS 34 HA LYS 34 -12.187 -10.216 1.774 265 HB2 LYS 34 2HB LYS 34 -12.850 -12.047 0.219 266 HB3 LYS 34 3HB LYS 34 -13.146 -10.432 -0.405 267 HG2 LYS 34 2HG LYS 34 -10.688 -12.006 -1.148 268 HG3 LYS 34 3HG LYS 34 -12.214 -12.165 -2.020 269 HD2 LYS 34 2HD LYS 34 -12.175 -9.764 -2.529 270 HD3 LYS 34 3HD LYS 34 -10.658 -9.599 -1.644 271 HE2 LYS 34 2HE LYS 34 -11.104 -11.241 -4.140 272 HE3 LYS 34 3HE LYS 34 -10.253 -9.700 -4.044 273 HZ1 LYS 34 3HZ LYS 34 -8.678 -11.483 -4.085 274 HZ2 LYS 34 1HZ LYS 34 -9.431 -12.255 -2.785 275 HZ3 LYS 34 2HZ LYS 34 -8.647 -10.779 -2.548 276 H LYS 35 H LYS 35 -8.940 -10.895 0.782 277 HA LYS 35 HA LYS 35 -8.880 -13.049 2.770 278 HB2 LYS 35 2HB LYS 35 -7.518 -14.505 1.307 279 HB3 LYS 35 3HB LYS 35 -9.145 -14.254 0.690 280 HG2 LYS 35 2HG LYS 35 -8.321 -12.644 -0.924 281 HG3 LYS 35 3HG LYS 35 -6.685 -12.808 -0.281 282 HD2 LYS 35 2HD LYS 35 -6.648 -15.162 -0.954 283 HD3 LYS 35 3HD LYS 35 -8.301 -15.023 -1.560 284 HE2 LYS 35 2HE LYS 35 -6.657 -14.892 -3.374 285 HE3 LYS 35 3HE LYS 35 -7.572 -13.393 -3.221 286 HZ1 LYS 35 3HZ LYS 35 -5.730 -12.384 -2.092 287 HZ2 LYS 35 1HZ LYS 35 -5.192 -13.033 -3.558 288 HZ3 LYS 35 2HZ LYS 35 -4.858 -13.838 -2.110 289 H GLN 36 H GLN 36 -6.849 -13.516 3.664 290 HA GLN 36 HA GLN 36 -5.289 -11.381 4.417 291 HB2 GLN 36 2HB GLN 36 -5.319 -13.465 5.643 292 HB3 GLN 36 3HB GLN 36 -4.599 -14.324 4.291 293 HG2 GLN 36 2HG GLN 36 -2.893 -14.034 5.890 294 HG3 GLN 36 3HG GLN 36 -2.557 -12.896 4.590 295 HE21 GLN 36 1HE2 GLN 36 -3.546 -13.258 7.893 296 HE22 GLN 36 2HE2 GLN 36 -3.321 -11.604 8.347 297 H GLY 37 H GLY 37 -4.201 -10.058 3.067 298 HA2 GLY 37 2HA GLY 37 -1.872 -10.015 2.116 299 HA3 GLY 37 3HA GLY 37 -2.410 -11.309 1.062 300 H ASP 38 H ASP 38 -5.078 -9.997 0.659 301 HA ASP 38 HA ASP 38 -4.554 -8.665 -1.728 302 HB2 ASP 38 2HB ASP 38 -6.952 -8.272 0.085 303 HB3 ASP 38 3HB ASP 38 -6.870 -7.828 -1.614 304 H PHE 39 H PHE 39 -3.576 -6.725 -2.094 305 HA PHE 39 HA PHE 39 -4.102 -4.522 -0.216 306 HB2 PHE 39 2HB PHE 39 -1.786 -3.868 -0.123 307 HB3 PHE 39 3HB PHE 39 -1.905 -5.556 0.350 308 HD1 PHE 39 HD1 PHE 39 -1.215 -7.338 -1.293 309 HD2 PHE 39 HD2 PHE 39 -0.446 -3.198 -1.955 310 HE1 PHE 39 HE1 PHE 39 0.504 -7.920 -2.956 311 HE2 PHE 39 HE2 PHE 39 1.270 -3.780 -3.615 312 HZ PHE 39 HZ PHE 39 1.746 -6.143 -4.119 313 H LEU 40 H LEU 40 -3.973 -2.437 -1.046 314 HA LEU 40 HA LEU 40 -3.134 -1.975 -3.775 315 HB2 LEU 40 2HB LEU 40 -5.214 -1.041 -4.566 316 HB3 LEU 40 3HB LEU 40 -5.465 -2.708 -4.084 317 HG LEU 40 HG LEU 40 -6.131 -0.456 -2.200 318 HD11 LEU 40 1HD1 LEU 40 -7.295 0.039 -4.286 319 HD12 LEU 40 2HD1 LEU 40 -8.422 -0.477 -3.032 320 HD13 LEU 40 3HD1 LEU 40 -7.957 -1.597 -4.315 321 HD21 LEU 40 3HD2 LEU 40 -6.992 -3.327 -2.494 322 HD22 LEU 40 1HD2 LEU 40 -7.832 -2.174 -1.455 323 HD23 LEU 40 2HD2 LEU 40 -6.143 -2.574 -1.147 324 H VAL 41 H VAL 41 -2.760 0.212 -4.234 325 HA VAL 41 HA VAL 41 -2.999 2.071 -1.949 326 HB VAL 41 HB VAL 41 -1.119 2.215 -4.328 327 HG11 VAL 41 1HG1 VAL 41 -1.769 4.451 -3.591 328 HG12 VAL 41 2HG1 VAL 41 -0.090 4.123 -3.166 329 HG13 VAL 41 3HG1 VAL 41 -1.343 4.046 -1.926 330 HG21 VAL 41 3HG2 VAL 41 -0.456 0.474 -2.778 331 HG22 VAL 41 1HG2 VAL 41 -0.595 1.586 -1.415 332 HG23 VAL 41 2HG2 VAL 41 0.652 1.839 -2.638 333 H ARG 42 H ARG 42 -4.332 3.768 -2.129 334 HA ARG 42 HA ARG 42 -5.233 4.603 -4.822 335 HB2 ARG 42 2HB ARG 42 -7.471 4.962 -3.971 336 HB3 ARG 42 3HB ARG 42 -6.992 3.308 -3.609 337 HG2 ARG 42 2HG ARG 42 -6.540 3.891 -1.307 338 HG3 ARG 42 3HG ARG 42 -6.855 5.593 -1.641 339 HD2 ARG 42 2HD ARG 42 -9.197 4.853 -2.343 340 HD3 ARG 42 3HD ARG 42 -8.812 3.307 -1.589 341 HE ARG 42 HE ARG 42 -8.753 4.368 0.510 342 HH11 ARG 42 1HH1 ARG 42 -9.707 6.481 -2.036 343 HH12 ARG 42 2HH1 ARG 42 -10.217 7.732 -0.957 344 HH21 ARG 42 1HH2 ARG 42 -9.422 5.985 1.896 345 HH22 ARG 42 2HH2 ARG 42 -10.065 7.448 1.250 346 H GLU 43 H GLU 43 -5.660 6.863 -5.076 347 HA GLU 43 HA GLU 43 -4.411 8.582 -3.072 348 HB2 GLU 43 2HB GLU 43 -3.972 9.003 -5.465 349 HB3 GLU 43 3HB GLU 43 -5.682 9.322 -5.720 350 HG2 GLU 43 2HG GLU 43 -5.538 11.237 -4.168 351 HG3 GLU 43 3HG GLU 43 -3.812 10.926 -3.971 352 H SER 44 H SER 44 -5.480 10.293 -1.994 353 HA SER 44 HA SER 44 -8.204 9.687 -1.248 354 HB2 SER 44 2HB SER 44 -6.556 10.365 0.454 355 HB3 SER 44 3HB SER 44 -6.381 11.935 -0.333 356 HG SER 44 HG SER 44 -7.839 11.908 1.488 357 H HIS 45 H HIS 45 -10.034 10.667 -1.947 358 HA HIS 45 HA HIS 45 -10.023 12.614 -4.012 359 HB2 HIS 45 2HB HIS 45 -12.242 11.710 -2.161 360 HB3 HIS 45 3HB HIS 45 -12.488 12.815 -3.509 361 HD1 HIS 45 HD1 HIS 45 -13.100 9.491 -2.799 362 HD2 HIS 45 HD2 HIS 45 -11.199 11.370 -5.981 363 HE1 HIS 45 HE1 HIS 45 -13.209 7.864 -4.704 364 HE2 HIS 45 HE2 HIS 45 -11.880 8.938 -6.543 365 H GLY 46 H GLY 46 -10.748 12.874 -0.533 366 HA2 GLY 46 2HA GLY 46 -11.319 15.634 -0.497 367 HA3 GLY 46 3HA GLY 46 -10.836 14.675 0.890 368 H LYS 47 H LYS 47 -8.239 13.918 -0.239 369 HA LYS 47 HA LYS 47 -6.883 16.539 -0.328 370 HB2 LYS 47 2HB LYS 47 -6.683 15.521 1.938 371 HB3 LYS 47 3HB LYS 47 -5.895 14.128 1.213 372 HG2 LYS 47 2HG LYS 47 -4.099 15.610 0.378 373 HG3 LYS 47 3HG LYS 47 -4.865 16.966 1.205 374 HD2 LYS 47 2HD LYS 47 -3.808 14.461 2.530 375 HD3 LYS 47 3HD LYS 47 -2.991 16.023 2.499 376 HE2 LYS 47 2HE LYS 47 -4.931 17.003 3.703 377 HE3 LYS 47 3HE LYS 47 -5.639 15.391 3.807 378 HZ1 LYS 47 3HZ LYS 47 -3.668 14.673 5.042 379 HZ2 LYS 47 1HZ LYS 47 -4.475 15.930 5.834 380 HZ3 LYS 47 2HZ LYS 47 -3.048 16.246 4.985 381 HA PRO 48 HA PRO 48 -5.244 14.396 -4.039 382 HB2 PRO 48 2HB PRO 48 -4.085 16.700 -5.021 383 HB3 PRO 48 3HB PRO 48 -5.753 16.214 -5.344 384 HG2 PRO 48 2HG PRO 48 -4.705 18.159 -3.322 385 HG3 PRO 48 3HG PRO 48 -6.130 18.294 -4.372 386 HD2 PRO 48 2HD PRO 48 -6.353 17.629 -1.776 387 HD3 PRO 48 3HD PRO 48 -7.418 16.919 -3.008 388 H GLY 49 H GLY 49 -3.288 13.390 -4.094 389 HA2 GLY 49 2HA GLY 49 -0.938 13.245 -3.860 390 HA3 GLY 49 3HA GLY 49 -0.966 14.659 -2.820 391 H GLU 50 H GLU 50 -3.355 13.150 -1.420 392 HA GLU 50 HA GLU 50 -1.689 11.774 0.522 393 HB2 GLU 50 2HB GLU 50 -3.500 13.217 1.322 394 HB3 GLU 50 3HB GLU 50 -4.683 12.247 0.459 395 HG2 GLU 50 2HG GLU 50 -4.205 10.342 1.901 396 HG3 GLU 50 3HG GLU 50 -2.958 11.264 2.738 397 H TYR 51 H TYR 51 -0.981 9.847 -0.271 398 HA TYR 51 HA TYR 51 -2.881 8.011 -1.537 399 HB2 TYR 51 2HB TYR 51 0.128 7.877 -1.218 400 HB3 TYR 51 3HB TYR 51 -0.840 6.625 -1.990 401 HD1 TYR 51 HD2 TYR 51 0.084 10.220 -2.232 402 HD2 TYR 51 HD1 TYR 51 -1.405 6.798 -4.278 403 HE1 TYR 51 HE2 TYR 51 0.241 11.429 -4.362 404 HE2 TYR 51 HE1 TYR 51 -1.251 8.007 -6.412 405 HH TYR 51 HH TYR 51 0.408 10.989 -6.719 406 H VAL 52 H VAL 52 -3.802 6.377 -0.466 407 HA VAL 52 HA VAL 52 -2.652 5.586 2.139 408 HB VAL 52 HB VAL 52 -5.561 5.402 1.323 409 HG11 VAL 52 1HG1 VAL 52 -4.194 4.979 3.985 410 HG12 VAL 52 2HG1 VAL 52 -4.942 3.739 2.979 411 HG13 VAL 52 3HG1 VAL 52 -5.939 4.984 3.729 412 HG21 VAL 52 3HG2 VAL 52 -5.952 7.289 2.845 413 HG22 VAL 52 1HG2 VAL 52 -4.895 7.745 1.509 414 HG23 VAL 52 2HG2 VAL 52 -4.215 7.439 3.107 415 H LEU 53 H LEU 53 -1.956 3.575 2.309 416 HA LEU 53 HA LEU 53 -2.563 1.560 0.304 417 HB2 LEU 53 2HB LEU 53 -0.272 1.720 1.051 418 HB3 LEU 53 3HB LEU 53 -0.756 1.573 2.729 419 HG LEU 53 HG LEU 53 -1.494 -0.767 2.278 420 HD11 LEU 53 1HD1 LEU 53 -0.226 -0.320 -0.425 421 HD12 LEU 53 2HD1 LEU 53 -1.941 -0.587 -0.109 422 HD13 LEU 53 3HD1 LEU 53 -0.774 -1.869 0.212 423 HD21 LEU 53 3HD2 LEU 53 0.760 -1.721 2.135 424 HD22 LEU 53 1HD2 LEU 53 0.708 -0.333 3.222 425 HD23 LEU 53 2HD2 LEU 53 1.386 -0.159 1.604 426 H SER 54 H SER 54 -4.387 0.424 0.503 427 HA SER 54 HA SER 54 -5.310 -0.367 3.196 428 HB2 SER 54 2HB SER 54 -7.511 -0.830 2.067 429 HB3 SER 54 3HB SER 54 -7.023 0.862 2.022 430 HG SER 54 HG SER 54 -6.430 -0.904 -0.098 431 H VAL 55 H VAL 55 -5.158 -2.435 3.783 432 HA VAL 55 HA VAL 55 -4.923 -4.539 1.749 433 HB VAL 55 HB VAL 55 -2.630 -3.963 2.135 434 HG11 VAL 55 1HG1 VAL 55 -1.599 -3.947 4.353 435 HG12 VAL 55 2HG1 VAL 55 -3.170 -4.262 5.093 436 HG13 VAL 55 3HG1 VAL 55 -2.886 -2.747 4.235 437 HG21 VAL 55 3HG2 VAL 55 -1.722 -6.059 3.034 438 HG22 VAL 55 1HG2 VAL 55 -3.092 -6.359 1.966 439 HG23 VAL 55 2HG2 VAL 55 -3.301 -6.457 3.714 440 H TYR 56 H TYR 56 -5.746 -6.505 2.348 441 HA TYR 56 HA TYR 56 -7.280 -6.632 4.797 442 HB2 TYR 56 2HB TYR 56 -8.085 -7.531 2.587 443 HB3 TYR 56 3HB TYR 56 -6.886 -8.807 2.722 444 HD1 TYR 56 HD2 TYR 56 -7.083 -10.474 4.608 445 HD2 TYR 56 HD1 TYR 56 -10.164 -7.667 3.744 446 HE1 TYR 56 HE2 TYR 56 -8.676 -11.836 5.888 447 HE2 TYR 56 HE1 TYR 56 -11.763 -9.023 5.021 448 HH TYR 56 HH TYR 56 -12.022 -11.387 5.735 449 H SER 57 H SER 57 -6.222 -7.070 6.642 450 HA SER 57 HA SER 57 -4.302 -9.317 6.675 451 HB2 SER 57 2HB SER 57 -2.977 -7.312 6.837 452 HB3 SER 57 3HB SER 57 -4.043 -6.641 8.069 453 HG SER 57 HG SER 57 -2.588 -9.055 8.437 454 H ASP 58 H ASP 58 -5.082 -10.908 7.890 455 HA ASP 58 HA ASP 58 -6.009 -12.081 9.598 456 HB2 ASP 58 2HB ASP 58 -5.156 -9.598 11.108 457 HB3 ASP 58 3HB ASP 58 -5.698 -11.083 11.888 458 H GLY 59 H GLY 59 -7.865 -10.636 8.019 459 HA2 GLY 59 2HA GLY 59 -10.215 -10.624 8.149 460 HA3 GLY 59 3HA GLY 59 -10.104 -10.545 9.899 461 H GLN 60 H GLN 60 -8.085 -8.266 9.481 462 HA GLN 60 HA GLN 60 -10.127 -6.166 9.476 463 HB2 GLN 60 2HB GLN 60 -7.228 -6.101 10.345 464 HB3 GLN 60 3HB GLN 60 -8.370 -4.774 10.514 465 HG2 GLN 60 2HG GLN 60 -9.698 -6.041 12.072 466 HG3 GLN 60 3HG GLN 60 -8.696 -7.473 11.817 467 HE21 GLN 60 1HE2 GLN 60 -8.849 -4.308 13.256 468 HE22 GLN 60 2HE2 GLN 60 -7.466 -4.488 14.272 469 H ARG 61 H ARG 61 -10.296 -4.650 7.890 470 HA ARG 61 HA ARG 61 -8.387 -4.534 5.722 471 HB2 ARG 61 2HB ARG 61 -10.767 -2.794 6.419 472 HB3 ARG 61 3HB ARG 61 -9.723 -2.469 5.048 473 HG2 ARG 61 2HG ARG 61 -11.536 -3.580 4.121 474 HG3 ARG 61 3HG ARG 61 -10.308 -4.833 4.261 475 HD2 ARG 61 2HD ARG 61 -11.498 -6.010 5.794 476 HD3 ARG 61 3HD ARG 61 -12.127 -4.560 6.578 477 HE ARG 61 HE ARG 61 -13.790 -4.420 4.842 478 HH11 ARG 61 1HH1 ARG 61 -12.077 -7.403 4.956 479 HH12 ARG 61 2HH1 ARG 61 -13.308 -8.259 4.095 480 HH21 ARG 61 1HH2 ARG 61 -15.349 -5.542 3.752 481 HH22 ARG 61 2HH2 ARG 61 -15.133 -7.228 3.443 482 H ARG 62 H ARG 62 -6.399 -3.806 6.289 483 HA ARG 62 HA ARG 62 -5.968 -1.748 8.248 484 HB2 ARG 62 2HB ARG 62 -4.047 -2.987 6.264 485 HB3 ARG 62 3HB ARG 62 -3.589 -1.966 7.619 486 HG2 ARG 62 2HG ARG 62 -4.943 -4.652 7.843 487 HG3 ARG 62 3HG ARG 62 -3.217 -4.357 8.056 488 HD2 ARG 62 2HD ARG 62 -3.834 -2.757 9.908 489 HD3 ARG 62 3HD ARG 62 -5.489 -3.350 9.768 490 HE ARG 62 HE ARG 62 -3.900 -5.585 10.087 491 HH11 ARG 62 1HH1 ARG 62 -4.673 -2.760 11.895 492 HH12 ARG 62 2HH1 ARG 62 -4.341 -3.508 13.418 493 HH21 ARG 62 1HH2 ARG 62 -3.465 -6.534 12.043 494 HH22 ARG 62 2HH2 ARG 62 -3.645 -5.618 13.499 495 H HIS 63 H HIS 63 -5.194 0.364 7.919 496 HA HIS 63 HA HIS 63 -5.048 1.355 5.147 497 HB2 HIS 63 2HB HIS 63 -6.561 2.719 7.396 498 HB3 HIS 63 3HB HIS 63 -6.241 3.433 5.819 499 HD1 HIS 63 HD1 HIS 63 -7.514 2.362 3.767 500 HD2 HIS 63 HD2 HIS 63 -8.731 1.020 7.505 501 HE1 HIS 63 HE1 HIS 63 -9.707 1.213 3.386 502 HE2 HIS 63 HE2 HIS 63 -10.507 0.591 5.682 503 H PHE 64 H PHE 64 -3.077 2.181 4.856 504 HA PHE 64 HA PHE 64 -1.779 3.641 7.083 505 HB2 PHE 64 2HB PHE 64 -0.376 2.085 4.889 506 HB3 PHE 64 3HB PHE 64 0.381 2.882 6.264 507 HD1 PHE 64 HD2 PHE 64 -0.234 2.018 8.611 508 HD2 PHE 64 HD1 PHE 64 -1.017 -0.152 5.027 509 HE1 PHE 64 HE2 PHE 64 -0.406 -0.065 9.909 510 HE2 PHE 64 HE1 PHE 64 -1.191 -2.234 6.326 511 HZ PHE 64 HZ PHE 64 -0.882 -2.194 8.768 512 H ILE 65 H ILE 65 -1.252 5.738 6.656 513 HA ILE 65 HA ILE 65 -1.640 6.747 3.938 514 HB ILE 65 HB ILE 65 -1.092 8.258 6.510 515 HG12 ILE 65 2HG1 ILE 65 -3.662 7.844 4.945 516 HG13 ILE 65 3HG1 ILE 65 -3.281 7.143 6.515 517 HG21 ILE 65 1HG2 ILE 65 -0.299 9.495 4.554 518 HG22 ILE 65 2HG2 ILE 65 -1.718 10.270 5.252 519 HG23 ILE 65 3HG2 ILE 65 -1.874 9.310 3.781 520 HD11 ILE 65 3HD1 ILE 65 -3.259 9.364 7.512 521 HD12 ILE 65 1HD1 ILE 65 -4.797 9.034 6.715 522 HD13 ILE 65 2HD1 ILE 65 -3.610 10.080 5.938 523 H ILE 66 H ILE 66 -0.039 7.489 2.621 524 HA ILE 66 HA ILE 66 2.723 6.986 3.412 525 HB ILE 66 HB ILE 66 1.626 7.870 0.731 526 HG12 ILE 66 2HG1 ILE 66 2.382 5.100 1.701 527 HG13 ILE 66 3HG1 ILE 66 0.745 5.673 1.404 528 HG21 ILE 66 1HG2 ILE 66 4.342 6.800 1.509 529 HG22 ILE 66 2HG2 ILE 66 3.967 8.435 0.964 530 HG23 ILE 66 3HG2 ILE 66 3.797 7.077 -0.146 531 HD11 ILE 66 3HD1 ILE 66 1.284 5.943 -0.969 532 HD12 ILE 66 1HD1 ILE 66 1.512 4.285 -0.414 533 HD13 ILE 66 2HD1 ILE 66 2.909 5.330 -0.659 534 H GLN 67 H GLN 67 3.803 8.599 4.428 535 HA GLN 67 HA GLN 67 3.154 11.391 3.867 536 HB2 GLN 67 2HB GLN 67 5.130 10.206 5.832 537 HB3 GLN 67 3HB GLN 67 4.760 11.917 5.681 538 HG2 GLN 67 2HG GLN 67 3.514 11.198 7.519 539 HG3 GLN 67 3HG GLN 67 2.347 11.287 6.203 540 HE21 GLN 67 1HE2 GLN 67 0.948 9.811 7.151 541 HE22 GLN 67 2HE2 GLN 67 1.314 8.126 7.254 542 H TYR 68 H TYR 68 4.467 12.846 2.866 543 HA TYR 68 HA TYR 68 6.801 11.783 1.431 544 HB2 TYR 68 2HB TYR 68 4.959 12.891 0.159 545 HB3 TYR 68 3HB TYR 68 5.291 14.382 1.026 546 HD1 TYR 68 HD1 TYR 68 7.152 11.847 -1.018 547 HD2 TYR 68 HD2 TYR 68 6.574 15.964 -0.085 548 HE1 TYR 68 HE1 TYR 68 8.751 12.470 -2.782 549 HE2 TYR 68 HE2 TYR 68 8.176 16.592 -1.840 550 HH TYR 68 HH TYR 68 9.987 15.664 -3.118 551 H VAL 69 H VAL 69 8.507 11.907 2.851 552 HA VAL 69 HA VAL 69 9.189 14.582 3.922 553 HB VAL 69 HB VAL 69 9.588 11.965 5.403 554 HG11 VAL 69 1HG1 VAL 69 10.269 13.373 7.287 555 HG12 VAL 69 2HG1 VAL 69 10.087 14.812 6.284 556 HG13 VAL 69 3HG1 VAL 69 11.323 13.614 5.893 557 HG21 VAL 69 3HG2 VAL 69 7.222 12.566 5.347 558 HG22 VAL 69 1HG2 VAL 69 7.606 14.187 5.930 559 HG23 VAL 69 2HG2 VAL 69 7.880 12.789 6.969 560 H ASP 70 H ASP 70 11.343 15.174 3.781 561 HA ASP 70 HA ASP 70 13.376 15.275 2.759 562 HB2 ASP 70 2HB ASP 70 13.413 12.473 3.893 563 HB3 ASP 70 3HB ASP 70 14.823 13.198 3.124 564 H ASN 71 H ASN 71 11.244 14.706 1.011 565 HA ASN 71 HA ASN 71 10.812 14.173 -1.147 566 HB2 ASN 71 2HB ASN 71 13.792 13.665 -1.328 567 HB3 ASN 71 3HB ASN 71 12.700 13.846 -2.697 568 HD21 ASN 71 1HD2 ASN 71 14.997 15.418 -2.133 569 HD22 ASN 71 2HD2 ASN 71 14.458 17.044 -1.913 570 H MET 72 H MET 72 11.211 11.984 1.047 571 HA MET 72 HA MET 72 11.101 9.694 -0.818 572 HB2 MET 72 2HB MET 72 11.976 9.688 2.083 573 HB3 MET 72 3HB MET 72 11.884 8.276 1.039 574 HG2 MET 72 2HG MET 72 13.608 9.253 -0.411 575 HG3 MET 72 3HG MET 72 13.714 10.643 0.668 576 HE1 MET 72 3HE MET 72 17.081 8.811 1.393 577 HE2 MET 72 1HE MET 72 16.312 10.332 0.940 578 HE3 MET 72 2HE MET 72 16.265 8.957 -0.162 579 H TYR 73 H TYR 73 9.386 8.324 -0.694 580 HA TYR 73 HA TYR 73 7.111 9.079 0.955 581 HB2 TYR 73 2HB TYR 73 7.461 6.882 -1.106 582 HB3 TYR 73 3HB TYR 73 5.945 7.271 -0.300 583 HD1 TYR 73 HD2 TYR 73 4.805 9.433 -0.772 584 HD2 TYR 73 HD1 TYR 73 8.280 8.226 -2.927 585 HE1 TYR 73 HE2 TYR 73 4.302 11.096 -2.511 586 HE2 TYR 73 HE1 TYR 73 7.783 9.893 -4.664 587 HH TYR 73 HH TYR 73 5.525 12.375 -4.250 588 H ARG 74 H ARG 74 6.538 8.116 2.835 589 HA ARG 74 HA ARG 74 7.787 5.569 3.605 590 HB2 ARG 74 2HB ARG 74 8.528 6.592 5.768 591 HB3 ARG 74 3HB ARG 74 9.384 7.198 4.355 592 HG2 ARG 74 2HG ARG 74 7.913 9.191 4.355 593 HG3 ARG 74 3HG ARG 74 7.149 8.595 5.828 594 HD2 ARG 74 2HD ARG 74 10.103 9.148 5.586 595 HD3 ARG 74 3HD ARG 74 8.936 10.339 6.155 596 HE ARG 74 HE ARG 74 8.440 8.361 7.838 597 HH11 ARG 74 1HH1 ARG 74 11.485 9.524 6.712 598 HH12 ARG 74 2HH1 ARG 74 12.291 9.179 8.204 599 HH21 ARG 74 1HH2 ARG 74 9.485 7.953 9.763 600 HH22 ARG 74 2HH2 ARG 74 11.169 8.326 9.912 601 H PHE 75 H PHE 75 6.771 4.445 5.272 602 HA PHE 75 HA PHE 75 4.203 5.496 6.273 603 HB2 PHE 75 2HB PHE 75 5.352 2.685 6.352 604 HB3 PHE 75 3HB PHE 75 3.800 3.151 7.039 605 HD1 PHE 75 HD1 PHE 75 2.069 4.172 5.415 606 HD2 PHE 75 HD2 PHE 75 5.475 1.946 4.143 607 HE1 PHE 75 HE1 PHE 75 0.961 3.703 3.271 608 HE2 PHE 75 HE2 PHE 75 4.366 1.477 1.994 609 HZ PHE 75 HZ PHE 75 2.107 2.355 1.559 610 H GLU 76 H GLU 76 6.814 3.450 7.590 611 HA GLU 76 HA GLU 76 6.651 4.828 10.171 612 HB2 GLU 76 2HB GLU 76 7.892 2.253 9.236 613 HB3 GLU 76 3HB GLU 76 8.439 2.993 10.731 614 HG2 GLU 76 2HG GLU 76 5.561 2.324 10.186 615 HG3 GLU 76 3HG GLU 76 6.689 1.219 10.970 616 H GLY 77 H GLY 77 9.534 3.495 8.563 617 HA2 GLY 77 2HA GLY 77 10.750 6.187 8.531 618 HA3 GLY 77 3HA GLY 77 11.588 4.864 9.329 619 H THR 78 H THR 78 11.036 2.807 7.511 620 HA THR 78 HA THR 78 13.052 3.174 5.582 621 HB THR 78 HB THR 78 10.873 1.073 5.482 622 HG1 THR 78 HG1 THR 78 13.355 1.072 6.903 623 HG21 THR 78 3HG2 THR 78 12.589 -0.290 4.363 624 HG22 THR 78 1HG2 THR 78 13.725 1.057 4.454 625 HG23 THR 78 2HG2 THR 78 12.274 1.191 3.458 626 H GLY 79 H GLY 79 12.649 4.941 4.270 627 HA2 GLY 79 2HA GLY 79 10.225 4.836 2.569 628 HA3 GLY 79 3HA GLY 79 11.066 6.310 3.016 629 H PHE 80 H PHE 80 10.414 5.651 0.382 630 HA PHE 80 HA PHE 80 13.098 5.370 -0.804 631 HB2 PHE 80 2HB PHE 80 10.564 3.989 -1.732 632 HB3 PHE 80 3HB PHE 80 12.017 4.117 -2.720 633 HD1 PHE 80 HD1 PHE 80 10.623 2.659 0.386 634 HD2 PHE 80 HD2 PHE 80 13.882 2.702 -2.353 635 HE1 PHE 80 HE1 PHE 80 11.536 0.633 1.444 636 HE2 PHE 80 HE2 PHE 80 14.800 0.679 -1.302 637 HZ PHE 80 HZ PHE 80 13.629 -0.360 0.600 638 H SER 81 H SER 81 13.383 6.401 -2.858 639 HA SER 81 HA SER 81 12.264 8.970 -3.050 640 HB2 SER 81 2HB SER 81 14.436 8.555 -3.999 641 HB3 SER 81 3HB SER 81 13.789 7.332 -5.087 642 HG SER 81 HG SER 81 12.797 9.968 -5.211 643 H ASN 82 H ASN 82 11.148 5.954 -4.365 644 HA ASN 82 HA ASN 82 8.954 7.386 -5.737 645 HB2 ASN 82 2HB ASN 82 10.273 4.846 -6.748 646 HB3 ASN 82 3HB ASN 82 8.953 5.717 -7.516 647 HD21 ASN 82 1HD2 ASN 82 12.363 5.729 -6.825 648 HD22 ASN 82 2HD2 ASN 82 12.782 6.960 -7.959 649 H ILE 83 H ILE 83 6.926 6.655 -5.279 650 HA ILE 83 HA ILE 83 6.354 4.847 -3.242 651 HB ILE 83 HB ILE 83 4.625 5.707 -5.573 652 HG12 ILE 83 2HG1 ILE 83 4.692 6.527 -2.652 653 HG13 ILE 83 3HG1 ILE 83 5.244 7.495 -4.013 654 HG21 ILE 83 1HG2 ILE 83 3.807 4.118 -3.135 655 HG22 ILE 83 2HG2 ILE 83 3.816 3.550 -4.808 656 HG23 ILE 83 3HG2 ILE 83 2.701 4.824 -4.311 657 HD11 ILE 83 3HD1 ILE 83 3.092 8.261 -3.242 658 HD12 ILE 83 1HD1 ILE 83 2.407 6.650 -3.458 659 HD13 ILE 83 2HD1 ILE 83 2.941 7.578 -4.860 660 HA PRO 84 HA PRO 84 5.684 1.444 -6.836 661 HB2 PRO 84 2HB PRO 84 7.970 2.404 -8.500 662 HB3 PRO 84 3HB PRO 84 6.459 1.630 -8.989 663 HG2 PRO 84 2HG PRO 84 6.859 4.264 -9.313 664 HG3 PRO 84 3HG PRO 84 5.263 3.603 -8.914 665 HD2 PRO 84 2HD PRO 84 7.190 5.077 -7.195 666 HD3 PRO 84 3HD PRO 84 5.417 5.022 -7.121 667 H GLN 85 H GLN 85 8.855 2.897 -6.062 668 HA GLN 85 HA GLN 85 10.202 0.375 -5.829 669 HB2 GLN 85 2HB GLN 85 10.962 3.197 -5.097 670 HB3 GLN 85 3HB GLN 85 11.990 1.835 -4.673 671 HG2 GLN 85 2HG GLN 85 11.137 2.572 -7.472 672 HG3 GLN 85 3HG GLN 85 12.703 2.932 -6.745 673 HE21 GLN 85 1HE2 GLN 85 10.683 0.456 -8.101 674 HE22 GLN 85 2HE2 GLN 85 11.903 -0.758 -8.206 675 H LEU 86 H LEU 86 8.751 2.625 -3.502 676 HA LEU 86 HA LEU 86 9.455 1.433 -1.105 677 HB2 LEU 86 2HB LEU 86 8.186 3.517 -1.276 678 HB3 LEU 86 3HB LEU 86 6.802 2.647 -1.906 679 HG LEU 86 HG LEU 86 6.543 1.492 0.264 680 HD11 LEU 86 1HD1 LEU 86 8.861 1.507 1.008 681 HD12 LEU 86 2HD1 LEU 86 7.817 2.251 2.218 682 HD13 LEU 86 3HD1 LEU 86 8.815 3.263 1.173 683 HD21 LEU 86 3HD2 LEU 86 6.651 4.507 0.465 684 HD22 LEU 86 1HD2 LEU 86 5.755 3.432 1.542 685 HD23 LEU 86 2HD2 LEU 86 5.304 3.551 -0.158 686 H ILE 87 H ILE 87 6.572 0.693 -3.071 687 HA ILE 87 HA ILE 87 5.829 -1.629 -1.622 688 HB ILE 87 HB ILE 87 5.142 -0.837 -4.464 689 HG12 ILE 87 2HG1 ILE 87 4.444 0.849 -2.821 690 HG13 ILE 87 3HG1 ILE 87 3.041 0.018 -3.484 691 HG21 ILE 87 1HG2 ILE 87 3.199 -2.348 -4.189 692 HG22 ILE 87 2HG2 ILE 87 3.867 -2.893 -2.649 693 HG23 ILE 87 3HG2 ILE 87 4.741 -3.201 -4.149 694 HD11 ILE 87 3HD1 ILE 87 2.809 0.375 -1.100 695 HD12 ILE 87 1HD1 ILE 87 4.308 -0.509 -0.802 696 HD13 ILE 87 2HD1 ILE 87 2.903 -1.347 -1.461 697 H ASP 88 H ASP 88 7.671 -1.195 -4.653 698 HA ASP 88 HA ASP 88 8.022 -3.812 -5.447 699 HB2 ASP 88 2HB ASP 88 8.775 -2.075 -6.882 700 HB3 ASP 88 3HB ASP 88 9.832 -1.403 -5.648 701 H HIS 89 H HIS 89 10.200 -1.998 -3.268 702 HA HIS 89 HA HIS 89 11.950 -4.189 -2.870 703 HB2 HIS 89 2HB HIS 89 11.599 -1.591 -1.383 704 HB3 HIS 89 3HB HIS 89 12.806 -2.786 -0.919 705 HD1 HIS 89 HD1 HIS 89 15.018 -2.564 -2.040 706 HD2 HIS 89 HD2 HIS 89 11.993 -0.709 -4.209 707 HE1 HIS 89 HE1 HIS 89 16.166 -1.392 -3.937 708 HE2 HIS 89 HE2 HIS 89 14.320 -0.329 -5.269 709 H HIS 90 H HIS 90 9.200 -2.974 -0.920 710 HA HIS 90 HA HIS 90 9.596 -4.937 1.142 711 HB2 HIS 90 2HB HIS 90 7.301 -3.111 0.453 712 HB3 HIS 90 3HB HIS 90 7.159 -4.318 1.730 713 HD1 HIS 90 HD1 HIS 90 8.556 -0.984 1.006 714 HD2 HIS 90 HD2 HIS 90 8.921 -3.894 3.948 715 HE1 HIS 90 HE1 HIS 90 9.719 0.143 2.928 716 HE2 HIS 90 HE2 HIS 90 10.129 -1.706 4.590 717 H TYR 91 H TYR 91 7.868 -4.926 -1.884 718 HA TYR 91 HA TYR 91 6.275 -7.251 -1.412 719 HB2 TYR 91 2HB TYR 91 5.648 -5.574 -3.082 720 HB3 TYR 91 3HB TYR 91 7.120 -5.893 -3.988 721 HD1 TYR 91 HD1 TYR 91 3.778 -7.162 -3.127 722 HD2 TYR 91 HD2 TYR 91 7.308 -7.856 -5.411 723 HE1 TYR 91 HE1 TYR 91 2.583 -8.850 -4.455 724 HE2 TYR 91 HE2 TYR 91 6.120 -9.547 -6.740 725 HH TYR 91 HH TYR 91 2.829 -9.866 -6.813 726 H THR 92 H THR 92 9.203 -6.703 -3.381 727 HA THR 92 HA THR 92 9.622 -9.364 -4.159 728 HB THR 92 HB THR 92 11.980 -8.685 -4.621 729 HG1 THR 92 HG1 THR 92 11.381 -6.033 -3.929 730 HG21 THR 92 3HG2 THR 92 11.441 -6.991 -6.314 731 HG22 THR 92 1HG2 THR 92 9.889 -6.695 -5.532 732 HG23 THR 92 2HG2 THR 92 10.216 -8.261 -6.278 733 H THR 93 H THR 93 11.029 -7.576 -1.394 734 HA THR 93 HA THR 93 12.471 -9.832 -0.386 735 HB THR 93 HB THR 93 12.754 -8.555 1.695 736 HG1 THR 93 HG1 THR 93 11.564 -6.247 0.833 737 HG21 THR 93 3HG2 THR 93 13.964 -6.642 0.773 738 HG22 THR 93 1HG2 THR 93 13.118 -6.830 -0.763 739 HG23 THR 93 2HG2 THR 93 14.233 -8.080 -0.212 740 H LYS 94 H LYS 94 9.185 -8.824 -0.163 741 HA LYS 94 HA LYS 94 7.330 -9.834 0.686 742 HB2 LYS 94 2HB LYS 94 8.615 -11.918 -0.081 743 HB3 LYS 94 3HB LYS 94 9.097 -12.113 1.597 744 HG2 LYS 94 2HG LYS 94 7.224 -13.542 1.110 745 HG3 LYS 94 3HG LYS 94 6.723 -12.281 2.240 746 HD2 LYS 94 2HD LYS 94 5.607 -11.066 0.503 747 HD3 LYS 94 3HD LYS 94 6.299 -12.103 -0.747 748 HE2 LYS 94 2HE LYS 94 4.339 -12.972 1.382 749 HE3 LYS 94 3HE LYS 94 3.954 -12.656 -0.310 750 HZ1 LYS 94 3HZ LYS 94 5.495 -14.440 -0.925 751 HZ2 LYS 94 1HZ LYS 94 4.227 -15.001 0.043 752 HZ3 LYS 94 2HZ LYS 94 5.761 -14.776 0.710 753 H GLN 95 H GLN 95 8.924 -8.020 2.261 754 HA GLN 95 HA GLN 95 8.800 -9.065 4.996 755 HB2 GLN 95 2HB GLN 95 9.985 -6.531 3.853 756 HB3 GLN 95 3HB GLN 95 9.932 -6.885 5.576 757 HG2 GLN 95 2HG GLN 95 11.334 -8.541 3.482 758 HG3 GLN 95 3HG GLN 95 12.106 -7.422 4.604 759 HE21 GLN 95 1HE2 GLN 95 12.251 -7.982 6.789 760 HE22 GLN 95 2HE2 GLN 95 12.021 -9.604 7.333 761 H VAL 96 H VAL 96 8.207 -7.204 6.649 762 HA VAL 96 HA VAL 96 5.399 -6.678 6.199 763 HB VAL 96 HB VAL 96 5.331 -5.967 8.538 764 HG11 VAL 96 1HG1 VAL 96 6.932 -8.501 8.147 765 HG12 VAL 96 2HG1 VAL 96 5.175 -8.351 8.062 766 HG13 VAL 96 3HG1 VAL 96 6.011 -8.080 9.593 767 HG21 VAL 96 3HG2 VAL 96 7.506 -4.826 8.643 768 HG22 VAL 96 1HG2 VAL 96 8.329 -6.382 8.546 769 HG23 VAL 96 2HG2 VAL 96 7.332 -5.995 9.950 770 H ILE 97 H ILE 97 4.389 -4.608 6.540 771 HA ILE 97 HA ILE 97 5.822 -2.365 5.443 772 HB ILE 97 HB ILE 97 3.049 -2.484 6.666 773 HG12 ILE 97 2HG1 ILE 97 3.296 -3.944 4.696 774 HG13 ILE 97 3HG1 ILE 97 2.244 -2.575 4.348 775 HG21 ILE 97 1HG2 ILE 97 4.325 -0.345 4.952 776 HG22 ILE 97 2HG2 ILE 97 3.925 -0.206 6.663 777 HG23 ILE 97 3HG2 ILE 97 2.638 -0.377 5.469 778 HD11 ILE 97 3HD1 ILE 97 3.712 -3.015 2.482 779 HD12 ILE 97 1HD1 ILE 97 5.128 -2.867 3.520 780 HD13 ILE 97 2HD1 ILE 97 4.113 -1.459 3.204 781 H THR 98 H THR 98 3.905 -2.474 8.461 782 HA THR 98 HA THR 98 5.983 -0.843 9.789 783 HB THR 98 HB THR 98 4.259 0.023 11.274 784 HG1 THR 98 HG1 THR 98 2.031 -0.566 10.843 785 HG21 THR 98 3HG2 THR 98 4.590 1.217 9.158 786 HG22 THR 98 1HG2 THR 98 2.903 1.303 9.674 787 HG23 THR 98 2HG2 THR 98 3.375 0.195 8.385 788 H LYS 99 H LYS 99 6.899 -1.585 11.649 789 HA LYS 99 HA LYS 99 6.648 -4.306 12.364 790 HB2 LYS 99 2HB LYS 99 7.896 -2.017 13.898 791 HB3 LYS 99 3HB LYS 99 8.088 -3.714 14.310 792 HG2 LYS 99 2HG LYS 99 8.993 -2.407 11.748 793 HG3 LYS 99 3HG LYS 99 10.027 -2.852 13.104 794 HD2 LYS 99 2HD LYS 99 8.431 -4.749 11.367 795 HD3 LYS 99 3HD LYS 99 10.178 -4.511 11.319 796 HE2 LYS 99 2HE LYS 99 8.570 -5.639 13.618 797 HE3 LYS 99 3HE LYS 99 9.642 -6.537 12.545 798 HZ1 LYS 99 3HZ LYS 99 11.478 -5.096 13.387 799 HZ2 LYS 99 1HZ LYS 99 10.805 -6.121 14.553 800 HZ3 LYS 99 2HZ LYS 99 10.408 -4.482 14.541 801 H LYS 100 H LYS 100 4.773 -1.593 13.331 802 HA LYS 100 HA LYS 100 3.858 -2.661 15.832 803 HB2 LYS 100 2HB LYS 100 2.890 -0.411 14.073 804 HB3 LYS 100 3HB LYS 100 1.976 -0.921 15.485 805 HG2 LYS 100 2HG LYS 100 3.299 0.939 16.123 806 HG3 LYS 100 3HG LYS 100 4.006 -0.490 16.874 807 HD2 LYS 100 2HD LYS 100 5.706 -0.561 15.087 808 HD3 LYS 100 3HD LYS 100 5.006 0.897 14.378 809 HE2 LYS 100 2HE LYS 100 5.475 2.101 16.495 810 HE3 LYS 100 3HE LYS 100 6.250 0.649 17.121 811 HZ1 LYS 100 3HZ LYS 100 7.855 0.788 15.308 812 HZ2 LYS 100 1HZ LYS 100 7.875 2.184 16.263 813 HZ3 LYS 100 2HZ LYS 100 7.117 2.203 14.753 814 H SER 101 H SER 101 2.735 -2.848 12.497 815 HA SER 101 HA SER 101 0.306 -4.271 13.346 816 HB2 SER 101 2HB SER 101 1.086 -3.255 10.598 817 HB3 SER 101 3HB SER 101 -0.469 -3.965 11.031 818 HG SER 101 HG SER 101 -0.408 -2.154 12.718 819 H GLY 102 H GLY 102 3.074 -4.717 11.128 820 HA2 GLY 102 2HA GLY 102 4.194 -6.688 10.615 821 HA3 GLY 102 3HA GLY 102 3.061 -7.568 11.624 822 H VAL 103 H VAL 103 2.333 -5.491 8.834 823 HA VAL 103 HA VAL 103 0.868 -7.710 7.605 824 HB VAL 103 HB VAL 103 0.926 -4.798 6.773 825 HG11 VAL 103 1HG1 VAL 103 -1.112 -5.354 5.530 826 HG12 VAL 103 2HG1 VAL 103 -0.965 -7.038 6.029 827 HG13 VAL 103 3HG1 VAL 103 0.256 -6.318 4.977 828 HG21 VAL 103 3HG2 VAL 103 -1.238 -4.594 7.906 829 HG22 VAL 103 1HG2 VAL 103 0.035 -5.037 9.044 830 HG23 VAL 103 2HG2 VAL 103 -1.105 -6.258 8.475 831 H VAL 104 H VAL 104 1.535 -8.749 5.806 832 HA VAL 104 HA VAL 104 3.959 -7.784 4.425 833 HB VAL 104 HB VAL 104 2.795 -10.584 4.519 834 HG11 VAL 104 1HG1 VAL 104 5.397 -9.598 3.333 835 HG12 VAL 104 2HG1 VAL 104 3.998 -10.188 2.435 836 HG13 VAL 104 3HG1 VAL 104 4.906 -11.288 3.472 837 HG21 VAL 104 3HG2 VAL 104 5.222 -9.436 5.913 838 HG22 VAL 104 1HG2 VAL 104 4.726 -11.129 5.935 839 HG23 VAL 104 2HG2 VAL 104 3.704 -9.900 6.680 840 H LEU 105 H LEU 105 4.065 -7.845 2.120 841 HA LEU 105 HA LEU 105 1.452 -7.459 0.846 842 HB2 LEU 105 2HB LEU 105 4.221 -6.831 -0.187 843 HB3 LEU 105 3HB LEU 105 2.712 -6.399 -0.971 844 HG LEU 105 HG LEU 105 3.710 -5.336 1.678 845 HD11 LEU 105 1HD1 LEU 105 3.395 -4.005 -1.012 846 HD12 LEU 105 2HD1 LEU 105 4.916 -4.410 -0.214 847 HD13 LEU 105 3HD1 LEU 105 3.848 -3.195 0.488 848 HD21 LEU 105 3HD2 LEU 105 1.163 -4.724 0.173 849 HD22 LEU 105 1HD2 LEU 105 1.753 -3.834 1.577 850 HD23 LEU 105 2HD2 LEU 105 1.294 -5.529 1.737 851 H LEU 106 H LEU 106 0.566 -9.200 -0.089 852 HA LEU 106 HA LEU 106 2.145 -10.667 -2.073 853 HB2 LEU 106 2HB LEU 106 1.198 -12.838 -1.377 854 HB3 LEU 106 3HB LEU 106 2.265 -12.138 -0.179 855 HG LEU 106 HG LEU 106 -0.729 -11.866 0.046 856 HD11 LEU 106 1HD1 LEU 106 -0.717 -13.822 1.524 857 HD12 LEU 106 2HD1 LEU 106 0.981 -14.108 1.136 858 HD13 LEU 106 3HD1 LEU 106 -0.248 -14.253 -0.122 859 HD21 LEU 106 3HD2 LEU 106 -0.186 -11.628 2.446 860 HD22 LEU 106 1HD2 LEU 106 0.575 -10.382 1.456 861 HD23 LEU 106 2HD2 LEU 106 1.530 -11.739 2.053 862 H ASN 107 H ASN 107 0.696 -12.092 -3.450 863 HA ASN 107 HA ASN 107 -0.747 -11.824 -5.226 864 HB2 ASN 107 2HB ASN 107 -3.067 -12.556 -4.493 865 HB3 ASN 107 3HB ASN 107 -1.724 -13.609 -4.087 866 HD21 ASN 107 1HD2 ASN 107 -2.637 -10.662 -2.333 867 HD22 ASN 107 2HD2 ASN 107 -3.077 -11.486 -0.890 868 HA PRO 108 HA PRO 108 -2.003 -7.402 -4.725 869 HB2 PRO 108 2HB PRO 108 -1.082 -7.239 -7.524 870 HB3 PRO 108 3HB PRO 108 -0.591 -6.282 -6.123 871 HG2 PRO 108 2HG PRO 108 1.047 -8.106 -7.231 872 HG3 PRO 108 3HG PRO 108 1.030 -7.803 -5.484 873 HD2 PRO 108 2HD PRO 108 -0.245 -10.040 -7.031 874 HD3 PRO 108 3HD PRO 108 0.647 -10.099 -5.493 875 H ILE 109 H ILE 109 -3.872 -6.413 -5.404 876 HA ILE 109 HA ILE 109 -5.634 -7.933 -7.177 877 HB ILE 109 HB ILE 109 -6.240 -5.455 -5.545 878 HG12 ILE 109 2HG1 ILE 109 -5.640 -7.352 -4.103 879 HG13 ILE 109 3HG1 ILE 109 -7.354 -6.981 -3.968 880 HG21 ILE 109 1HG2 ILE 109 -8.083 -7.382 -6.967 881 HG22 ILE 109 2HG2 ILE 109 -7.767 -5.706 -7.419 882 HG23 ILE 109 3HG2 ILE 109 -8.599 -6.069 -5.908 883 HD11 ILE 109 3HD1 ILE 109 -6.976 -9.373 -4.014 884 HD12 ILE 109 1HD1 ILE 109 -6.153 -9.235 -5.567 885 HD13 ILE 109 2HD1 ILE 109 -7.873 -8.863 -5.443 886 HA PRO 110 HA PRO 110 -4.407 -5.395 -10.652 887 HB2 PRO 110 2HB PRO 110 -6.512 -6.033 -12.314 888 HB3 PRO 110 3HB PRO 110 -5.089 -7.054 -12.071 889 HG2 PRO 110 2HG PRO 110 -7.789 -7.229 -10.769 890 HG3 PRO 110 3HG PRO 110 -6.778 -8.529 -11.430 891 HD2 PRO 110 2HD PRO 110 -6.880 -8.073 -8.795 892 HD3 PRO 110 3HD PRO 110 -5.350 -8.527 -9.582 893 H LYS 111 H LYS 111 -4.656 -3.266 -10.915 894 HA LYS 111 HA LYS 111 -6.740 -1.771 -9.773 895 HB2 LYS 111 2HB LYS 111 -5.763 0.165 -10.909 896 HB3 LYS 111 3HB LYS 111 -4.531 -0.826 -10.136 897 HG2 LYS 111 2HG LYS 111 -3.746 -1.659 -12.184 898 HG3 LYS 111 3HG LYS 111 -5.190 -1.128 -13.053 899 HD2 LYS 111 2HD LYS 111 -4.548 1.212 -12.682 900 HD3 LYS 111 3HD LYS 111 -3.102 0.681 -11.819 901 HE2 LYS 111 2HE LYS 111 -2.139 -0.215 -13.776 902 HE3 LYS 111 3HE LYS 111 -3.668 -0.159 -14.652 903 HZ1 LYS 111 3HZ LYS 111 -3.563 2.260 -14.586 904 HZ2 LYS 111 1HZ LYS 111 -2.203 1.611 -15.354 905 HZ3 LYS 111 2HZ LYS 111 -2.091 2.189 -13.771 906 H ASP 112 H ASP 112 -8.118 -0.197 -10.883 907 HA ASP 112 HA ASP 112 -9.770 -1.543 -12.810 908 HB2 ASP 112 2HB ASP 112 -10.058 1.238 -11.656 909 HB3 ASP 112 3HB ASP 112 -11.316 0.281 -12.436 910 H LYS 113 H LYS 113 -8.543 -1.607 -14.747 911 HA LYS 113 HA LYS 113 -7.938 0.942 -16.061 912 HB2 LYS 113 2HB LYS 113 -7.359 -1.930 -16.789 913 HB3 LYS 113 3HB LYS 113 -7.109 -0.615 -17.930 914 HG2 LYS 113 2HG LYS 113 -5.803 -0.809 -15.216 915 HG3 LYS 113 3HG LYS 113 -5.048 -1.286 -16.738 916 HD2 LYS 113 2HD LYS 113 -6.110 1.495 -16.220 917 HD3 LYS 113 3HD LYS 113 -4.449 1.023 -15.871 918 HE2 LYS 113 2HE LYS 113 -5.749 0.825 -18.593 919 HE3 LYS 113 3HE LYS 113 -4.729 2.164 -18.067 920 HZ1 LYS 113 3HZ LYS 113 -2.865 0.738 -17.912 921 HZ2 LYS 113 1HZ LYS 113 -3.588 0.398 -19.403 922 HZ3 LYS 113 2HZ LYS 113 -3.803 -0.654 -18.099 923 H LYS 114 H LYS 114 -10.663 -0.646 -15.591 924 HA LYS 114 HA LYS 114 -11.792 -0.522 -18.265 925 HB2 LYS 114 2HB LYS 114 -12.529 -2.257 -16.675 926 HB3 LYS 114 3HB LYS 114 -13.090 -1.013 -15.569 927 HG2 LYS 114 2HG LYS 114 -14.775 -0.306 -17.184 928 HG3 LYS 114 3HG LYS 114 -14.191 -1.512 -18.335 929 HD2 LYS 114 2HD LYS 114 -14.756 -3.293 -16.714 930 HD3 LYS 114 3HD LYS 114 -15.397 -2.070 -15.617 931 HE2 LYS 114 2HE LYS 114 -17.089 -1.457 -17.252 932 HE3 LYS 114 3HE LYS 114 -16.422 -2.612 -18.406 933 HZ1 LYS 114 3HZ LYS 114 -18.344 -3.522 -17.302 934 HZ2 LYS 114 1HZ LYS 114 -17.643 -3.282 -15.782 935 HZ3 LYS 114 2HZ LYS 114 -16.969 -4.397 -16.864 936 H TRP 115 H TRP 115 -11.970 1.529 -19.023 937 HA TRP 115 HA TRP 115 -12.435 3.768 -17.258 938 HB2 TRP 115 2HB TRP 115 -12.232 3.691 -20.280 939 HB3 TRP 115 3HB TRP 115 -12.159 5.136 -19.273 940 HD1 TRP 115 HD1 TRP 115 -9.981 2.505 -20.773 941 HE1 TRP 115 HE1 TRP 115 -7.559 2.773 -19.941 942 HE3 TRP 115 HE3 TRP 115 -10.783 5.841 -16.976 943 HZ2 TRP 115 HZ2 TRP 115 -6.177 4.191 -17.934 944 HZ3 TRP 115 HZ3 TRP 115 -8.854 6.597 -15.646 945 HH2 TRP 115 HH2 TRP 115 -6.602 5.790 -16.116 946 H ILE 116 H ILE 116 -14.634 2.078 -17.135 947 HA ILE 116 HA ILE 116 -16.746 3.711 -18.395 948 HB ILE 116 HB ILE 116 -16.857 0.721 -17.913 949 HG12 ILE 116 2HG1 ILE 116 -16.699 2.283 -20.513 950 HG13 ILE 116 3HG1 ILE 116 -15.400 1.321 -19.816 951 HG21 ILE 116 1HG2 ILE 116 -19.018 0.804 -19.064 952 HG22 ILE 116 2HG2 ILE 116 -18.885 2.558 -19.200 953 HG23 ILE 116 3HG2 ILE 116 -19.034 1.806 -17.612 954 HD11 ILE 116 3HD1 ILE 116 -16.441 0.098 -21.593 955 HD12 ILE 116 1HD1 ILE 116 -18.032 0.305 -20.861 956 HD13 ILE 116 2HD1 ILE 116 -16.816 -0.689 -20.061 Start of MODEL 15 1 H1 MET 1 1H MET 1 3.328 5.329 -32.597 2 H2 MET 1 2H MET 1 2.215 6.595 -32.445 3 H3 MET 1 3H MET 1 1.964 5.385 -33.600 4 HA MET 1 HA MET 1 1.963 4.986 -30.661 5 HB2 MET 1 2HB MET 1 -0.002 6.253 -31.479 6 HB3 MET 1 3HB MET 1 -0.341 4.971 -32.633 7 HG2 MET 1 2HG MET 1 -0.650 3.406 -30.737 8 HG3 MET 1 3HG MET 1 -0.434 4.762 -29.630 9 HE1 MET 1 3HE MET 1 -4.266 4.081 -29.304 10 HE2 MET 1 1HE MET 1 -2.744 4.301 -28.439 11 HE3 MET 1 2HE MET 1 -2.975 2.889 -29.473 12 H GLY 2 H GLY 2 1.976 2.883 -29.985 13 HA2 GLY 2 2HA GLY 2 1.546 0.752 -31.981 14 HA3 GLY 2 3HA GLY 2 3.008 0.748 -31.005 15 H HIS 3 H HIS 3 0.141 -0.727 -31.263 16 HA HIS 3 HA HIS 3 -0.961 -0.648 -28.655 17 HB2 HIS 3 2HB HIS 3 -2.250 -1.438 -30.579 18 HB3 HIS 3 3HB HIS 3 -1.165 -2.809 -30.772 19 HD1 HIS 3 HD1 HIS 3 -2.130 -4.894 -29.876 20 HD2 HIS 3 HD2 HIS 3 -3.488 -1.573 -27.776 21 HE1 HIS 3 HE1 HIS 3 -3.697 -5.790 -28.138 22 HE2 HIS 3 HE2 HIS 3 -4.441 -3.785 -26.824 23 H HIS 4 H HIS 4 1.774 -2.323 -29.940 24 HA HIS 4 HA HIS 4 2.124 -3.698 -27.346 25 HB2 HIS 4 2HB HIS 4 3.141 -4.553 -30.069 26 HB3 HIS 4 3HB HIS 4 3.552 -5.343 -28.551 27 HD1 HIS 4 HD1 HIS 4 1.549 -5.984 -31.289 28 HD2 HIS 4 HD2 HIS 4 0.785 -5.971 -27.205 29 HE1 HIS 4 HE1 HIS 4 -0.469 -7.438 -30.979 30 HE2 HIS 4 HE2 HIS 4 -0.804 -7.556 -28.492 31 H HIS 5 H HIS 5 3.425 -2.326 -26.222 32 HA HIS 5 HA HIS 5 5.560 -0.856 -27.515 33 HB2 HIS 5 2HB HIS 5 4.910 -1.130 -24.563 34 HB3 HIS 5 3HB HIS 5 6.030 0.031 -25.273 35 HD1 HIS 5 HD1 HIS 5 2.355 -0.691 -24.942 36 HD2 HIS 5 HD2 HIS 5 4.852 2.283 -26.407 37 HE1 HIS 5 HE1 HIS 5 0.858 1.256 -25.434 38 HE2 HIS 5 HE2 HIS 5 2.366 2.982 -26.466 39 H HIS 6 H HIS 6 6.577 -2.841 -28.354 40 HA HIS 6 HA HIS 6 7.649 -4.798 -26.593 41 HB2 HIS 6 2HB HIS 6 8.947 -5.575 -28.617 42 HB3 HIS 6 3HB HIS 6 7.201 -5.513 -28.813 43 HD1 HIS 6 HD1 HIS 6 10.319 -3.611 -29.804 44 HD2 HIS 6 HD2 HIS 6 6.322 -3.947 -30.899 45 HE1 HIS 6 HE1 HIS 6 10.097 -2.320 -31.944 46 HE2 HIS 6 HE2 HIS 6 7.665 -2.483 -32.560 47 H HIS 7 H HIS 7 8.764 -3.623 -25.032 48 HA HIS 7 HA HIS 7 11.556 -3.053 -25.778 49 HB2 HIS 7 2HB HIS 7 9.810 -1.328 -23.991 50 HB3 HIS 7 3HB HIS 7 11.560 -1.182 -24.089 51 HD1 HIS 7 HD1 HIS 7 12.522 0.120 -26.018 52 HD2 HIS 7 HD2 HIS 7 8.422 -0.447 -26.351 53 HE1 HIS 7 HE1 HIS 7 11.793 1.612 -27.893 54 HE2 HIS 7 HE2 HIS 7 9.340 1.148 -28.171 55 H HIS 8 H HIS 8 12.999 -3.075 -23.805 56 HA HIS 8 HA HIS 8 12.218 -5.234 -22.004 57 HB2 HIS 8 2HB HIS 8 14.823 -3.730 -22.356 58 HB3 HIS 8 3HB HIS 8 14.589 -5.030 -21.190 59 HD1 HIS 8 HD1 HIS 8 14.516 -7.434 -22.098 60 HD2 HIS 8 HD2 HIS 8 14.950 -4.549 -25.058 61 HE1 HIS 8 HE1 HIS 8 15.131 -8.692 -24.176 62 HE2 HIS 8 HE2 HIS 8 15.450 -6.927 -25.943 63 H SER 9 H SER 9 10.632 -3.052 -21.581 64 HA SER 9 HA SER 9 11.503 -1.217 -19.632 65 HB2 SER 9 2HB SER 9 8.704 -2.262 -20.155 66 HB3 SER 9 3HB SER 9 9.094 -0.837 -19.191 67 HG SER 9 HG SER 9 8.686 -0.025 -21.161 68 H HIS 10 H HIS 10 12.340 -1.790 -17.732 69 HA HIS 10 HA HIS 10 11.560 -4.254 -16.416 70 HB2 HIS 10 2HB HIS 10 13.939 -3.395 -16.618 71 HB3 HIS 10 3HB HIS 10 13.518 -2.165 -15.435 72 HD1 HIS 10 HD1 HIS 10 14.294 -5.787 -15.786 73 HD2 HIS 10 HD2 HIS 10 13.198 -3.122 -12.788 74 HE1 HIS 10 HE1 HIS 10 14.738 -6.985 -13.624 75 HE2 HIS 10 HE2 HIS 10 14.175 -5.318 -11.829 76 H MET 11 H MET 11 10.615 -0.981 -16.274 77 HA MET 11 HA MET 11 9.008 -1.518 -13.881 78 HB2 MET 11 2HB MET 11 11.048 -0.382 -13.088 79 HB3 MET 11 3HB MET 11 10.745 0.942 -14.201 80 HG2 MET 11 2HG MET 11 8.648 1.441 -13.012 81 HG3 MET 11 3HG MET 11 9.003 0.144 -11.874 82 HE1 MET 11 3HE MET 11 12.345 1.507 -10.244 83 HE2 MET 11 1HE MET 11 12.219 0.502 -11.686 84 HE3 MET 11 2HE MET 11 11.203 0.164 -10.285 85 H LYS 12 H LYS 12 6.951 -1.006 -14.285 86 HA LYS 12 HA LYS 12 6.204 0.903 -16.346 87 HB2 LYS 12 2HB LYS 12 4.701 -0.964 -14.529 88 HB3 LYS 12 3HB LYS 12 3.839 0.349 -15.313 89 HG2 LYS 12 2HG LYS 12 5.410 -1.788 -16.756 90 HG3 LYS 12 3HG LYS 12 3.660 -1.788 -16.521 91 HD2 LYS 12 2HD LYS 12 3.673 0.497 -17.673 92 HD3 LYS 12 3HD LYS 12 5.327 0.118 -18.159 93 HE2 LYS 12 2HE LYS 12 3.842 -0.478 -19.954 94 HE3 LYS 12 3HE LYS 12 4.465 -1.963 -19.234 95 HZ1 LYS 12 3HZ LYS 12 1.794 -0.758 -18.711 96 HZ2 LYS 12 1HZ LYS 12 2.391 -2.167 -17.988 97 HZ3 LYS 12 2HZ LYS 12 2.099 -2.131 -19.649 98 HA PRO 13 HA PRO 13 5.804 4.437 -13.609 99 HB2 PRO 13 2HB PRO 13 3.687 5.720 -14.809 100 HB3 PRO 13 3HB PRO 13 5.349 5.787 -15.403 101 HG2 PRO 13 2HG PRO 13 3.080 4.058 -16.322 102 HG3 PRO 13 3HG PRO 13 4.279 4.937 -17.289 103 HD2 PRO 13 2HD PRO 13 4.490 2.291 -16.845 104 HD3 PRO 13 3HD PRO 13 5.926 3.334 -16.931 105 H LEU 14 H LEU 14 4.267 5.446 -12.094 106 HA LEU 14 HA LEU 14 2.896 3.639 -10.522 107 HB2 LEU 14 2HB LEU 14 3.643 5.881 -9.803 108 HB3 LEU 14 3HB LEU 14 2.350 6.607 -10.740 109 HG LEU 14 HG LEU 14 0.685 5.471 -9.285 110 HD11 LEU 14 1HD1 LEU 14 1.422 4.417 -7.202 111 HD12 LEU 14 2HD1 LEU 14 3.103 4.596 -7.701 112 HD13 LEU 14 3HD1 LEU 14 2.019 3.542 -8.612 113 HD21 LEU 14 3HD2 LEU 14 2.712 7.157 -7.815 114 HD22 LEU 14 1HD2 LEU 14 1.052 6.859 -7.299 115 HD23 LEU 14 2HD2 LEU 14 1.366 7.754 -8.785 116 H ALA 15 H ALA 15 1.522 5.762 -13.024 117 HA ALA 15 HA ALA 15 -1.194 5.148 -12.577 118 HB1 ALA 15 3HB ALA 15 -0.432 7.096 -13.862 119 HB2 ALA 15 1HB ALA 15 -1.606 6.135 -14.761 120 HB3 ALA 15 2HB ALA 15 0.111 6.026 -15.155 121 H GLU 16 H GLU 16 1.261 3.221 -13.988 122 HA GLU 16 HA GLU 16 -0.645 1.524 -15.432 123 HB2 GLU 16 2HB GLU 16 2.352 1.711 -15.375 124 HB3 GLU 16 3HB GLU 16 1.573 0.254 -15.976 125 HG2 GLU 16 2HG GLU 16 1.068 3.026 -17.046 126 HG3 GLU 16 3HG GLU 16 2.192 1.863 -17.749 127 H GLN 17 H GLN 17 0.995 1.643 -12.422 128 HA GLN 17 HA GLN 17 1.364 -1.085 -11.867 129 HB2 GLN 17 2HB GLN 17 0.800 1.209 -9.975 130 HB3 GLN 17 3HB GLN 17 1.374 -0.379 -9.481 131 HG2 GLN 17 2HG GLN 17 2.857 1.504 -11.316 132 HG3 GLN 17 3HG GLN 17 3.167 1.309 -9.592 133 HE21 GLN 17 1HE2 GLN 17 4.929 0.836 -11.888 134 HE22 GLN 17 2HE2 GLN 17 5.439 -0.805 -11.741 135 H ASP 18 H ASP 18 -0.101 -2.672 -11.693 136 HA ASP 18 HA ASP 18 -2.874 -2.164 -11.789 137 HB2 ASP 18 2HB ASP 18 -1.318 -4.706 -11.342 138 HB3 ASP 18 3HB ASP 18 -3.074 -4.669 -11.474 139 H TRP 19 H TRP 19 -0.772 -2.759 -9.043 140 HA TRP 19 HA TRP 19 -2.929 -3.123 -7.187 141 HB2 TRP 19 2HB TRP 19 -1.106 -2.535 -5.456 142 HB3 TRP 19 3HB TRP 19 -0.910 -4.006 -6.398 143 HD1 TRP 19 HD1 TRP 19 1.191 -4.194 -7.947 144 HE1 TRP 19 HE1 TRP 19 3.294 -2.755 -8.271 145 HE3 TRP 19 HE3 TRP 19 -0.321 0.030 -5.479 146 HZ2 TRP 19 HZ2 TRP 19 4.197 -0.179 -7.573 147 HZ3 TRP 19 HZ3 TRP 19 1.231 1.936 -5.357 148 HH2 TRP 19 HH2 TRP 19 3.443 1.834 -6.382 149 H TYR 20 H TYR 20 -1.538 -0.390 -8.726 150 HA TYR 20 HA TYR 20 -2.695 1.524 -6.853 151 HB2 TYR 20 2HB TYR 20 -0.573 2.135 -7.833 152 HB3 TYR 20 3HB TYR 20 -1.184 1.859 -9.460 153 HD1 TYR 20 HD2 TYR 20 -1.689 4.029 -6.460 154 HD2 TYR 20 HD1 TYR 20 -2.077 3.644 -10.684 155 HE1 TYR 20 HE2 TYR 20 -2.322 6.399 -6.619 156 HE2 TYR 20 HE1 TYR 20 -2.706 6.010 -10.848 157 HH TYR 20 HH TYR 20 -2.254 8.218 -8.369 158 H HIS 21 H HIS 21 -4.821 1.939 -6.950 159 HA HIS 21 HA HIS 21 -6.252 1.503 -9.492 160 HB2 HIS 21 2HB HIS 21 -7.237 1.627 -6.635 161 HB3 HIS 21 3HB HIS 21 -8.310 1.525 -8.027 162 HD1 HIS 21 HD1 HIS 21 -9.187 -0.787 -8.100 163 HD2 HIS 21 HD2 HIS 21 -5.150 -0.712 -7.115 164 HE1 HIS 21 HE1 HIS 21 -8.486 -3.192 -7.952 165 HE2 HIS 21 HE2 HIS 21 -6.009 -3.115 -7.534 166 H GLY 22 H GLY 22 -4.874 4.045 -7.975 167 HA2 GLY 22 2HA GLY 22 -5.046 6.297 -8.573 168 HA3 GLY 22 3HA GLY 22 -6.591 5.961 -9.335 169 H ALA 23 H ALA 23 -7.388 7.895 -8.324 170 HA ALA 23 HA ALA 23 -7.493 8.044 -5.431 171 HB1 ALA 23 3HB ALA 23 -7.090 10.048 -6.773 172 HB2 ALA 23 1HB ALA 23 -8.552 10.208 -5.799 173 HB3 ALA 23 2HB ALA 23 -8.675 9.866 -7.527 174 H ILE 24 H ILE 24 -8.804 5.775 -6.008 175 HA ILE 24 HA ILE 24 -11.612 6.137 -6.467 176 HB ILE 24 HB ILE 24 -11.854 3.766 -5.913 177 HG12 ILE 24 2HG1 ILE 24 -8.893 3.815 -5.253 178 HG13 ILE 24 3HG1 ILE 24 -10.182 3.705 -4.060 179 HG21 ILE 24 1HG2 ILE 24 -11.163 4.363 -8.166 180 HG22 ILE 24 2HG2 ILE 24 -10.412 2.841 -7.679 181 HG23 ILE 24 3HG2 ILE 24 -9.469 4.334 -7.676 182 HD11 ILE 24 3HD1 ILE 24 -10.884 1.569 -5.028 183 HD12 ILE 24 1HD1 ILE 24 -9.205 1.536 -4.488 184 HD13 ILE 24 2HD1 ILE 24 -9.574 1.682 -6.205 185 HA PRO 25 HA PRO 25 -13.259 6.975 -2.396 186 HB2 PRO 25 2HB PRO 25 -15.176 4.754 -2.957 187 HB3 PRO 25 3HB PRO 25 -15.497 6.427 -2.485 188 HG2 PRO 25 2HG PRO 25 -15.900 5.637 -4.991 189 HG3 PRO 25 3HG PRO 25 -15.202 7.234 -4.650 190 HD2 PRO 25 2HD PRO 25 -13.846 4.726 -5.573 191 HD3 PRO 25 3HD PRO 25 -13.553 6.411 -6.052 192 H ARG 26 H ARG 26 -13.274 6.166 -0.283 193 HA ARG 26 HA ARG 26 -11.561 4.099 0.452 194 HB2 ARG 26 2HB ARG 26 -12.329 5.863 1.996 195 HB3 ARG 26 3HB ARG 26 -13.945 5.168 1.990 196 HG2 ARG 26 2HG ARG 26 -12.863 3.043 2.898 197 HG3 ARG 26 3HG ARG 26 -11.430 4.032 3.188 198 HD2 ARG 26 2HD ARG 26 -12.812 3.877 5.199 199 HD3 ARG 26 3HD ARG 26 -12.749 5.535 4.603 200 HE ARG 26 HE ARG 26 -14.985 4.800 3.478 201 HH11 ARG 26 1HH1 ARG 26 -13.910 4.022 6.658 202 HH12 ARG 26 2HH1 ARG 26 -15.517 3.860 7.272 203 HH21 ARG 26 1HH2 ARG 26 -17.020 4.592 4.267 204 HH22 ARG 26 2HH2 ARG 26 -17.268 4.180 5.928 205 H ILE 27 H ILE 27 -15.052 4.047 -0.077 206 HA ILE 27 HA ILE 27 -15.716 1.498 0.796 207 HB ILE 27 HB ILE 27 -16.795 2.927 -1.650 208 HG12 ILE 27 2HG1 ILE 27 -17.811 2.940 1.206 209 HG13 ILE 27 3HG1 ILE 27 -16.955 4.264 0.426 210 HG21 ILE 27 1HG2 ILE 27 -18.820 1.570 -1.335 211 HG22 ILE 27 2HG2 ILE 27 -18.027 0.693 -0.028 212 HG23 ILE 27 3HG2 ILE 27 -17.407 0.572 -1.674 213 HD11 ILE 27 3HD1 ILE 27 -19.645 3.181 -0.368 214 HD12 ILE 27 1HD1 ILE 27 -18.783 4.486 -1.184 215 HD13 ILE 27 2HD1 ILE 27 -19.326 4.694 0.480 216 H GLU 28 H GLU 28 -14.820 2.422 -2.535 217 HA GLU 28 HA GLU 28 -14.879 -0.147 -3.639 218 HB2 GLU 28 2HB GLU 28 -13.207 2.221 -4.515 219 HB3 GLU 28 3HB GLU 28 -13.619 0.829 -5.508 220 HG2 GLU 28 2HG GLU 28 -15.601 2.784 -4.349 221 HG3 GLU 28 3HG GLU 28 -14.995 2.815 -6.005 222 H ALA 29 H ALA 29 -12.352 1.521 -1.892 223 HA ALA 29 HA ALA 29 -10.180 -0.164 -2.601 224 HB1 ALA 29 3HB ALA 29 -9.857 2.062 -1.643 225 HB2 ALA 29 1HB ALA 29 -9.026 0.833 -0.689 226 HB3 ALA 29 2HB ALA 29 -10.549 1.514 -0.117 227 H GLN 30 H GLN 30 -12.529 -0.306 0.071 228 HA GLN 30 HA GLN 30 -11.168 -2.602 1.238 229 HB2 GLN 30 2HB GLN 30 -12.865 -2.479 3.014 230 HB3 GLN 30 3HB GLN 30 -12.023 -0.955 2.774 231 HG2 GLN 30 2HG GLN 30 -13.931 -0.062 1.566 232 HG3 GLN 30 3HG GLN 30 -14.771 -1.605 1.715 233 HE21 GLN 30 1HE2 GLN 30 -16.483 -0.706 2.855 234 HE22 GLN 30 2HE2 GLN 30 -16.328 -0.167 4.489 235 H GLU 31 H GLU 31 -13.971 -2.037 -0.779 236 HA GLU 31 HA GLU 31 -15.456 -4.347 -0.258 237 HB2 GLU 31 2HB GLU 31 -15.156 -2.829 -2.857 238 HB3 GLU 31 3HB GLU 31 -16.368 -4.068 -2.572 239 HG2 GLU 31 2HG GLU 31 -16.119 -1.459 -1.088 240 HG3 GLU 31 3HG GLU 31 -17.299 -1.831 -2.338 241 H LEU 32 H LEU 32 -12.516 -4.005 -2.148 242 HA LEU 32 HA LEU 32 -12.864 -6.610 -3.421 243 HB2 LEU 32 2HB LEU 32 -10.841 -6.087 -4.655 244 HB3 LEU 32 3HB LEU 32 -11.979 -4.758 -4.728 245 HG LEU 32 HG LEU 32 -10.522 -3.821 -2.716 246 HD11 LEU 32 1HD1 LEU 32 -8.131 -4.347 -3.044 247 HD12 LEU 32 2HD1 LEU 32 -8.585 -5.632 -4.161 248 HD13 LEU 32 3HD1 LEU 32 -9.063 -5.725 -2.466 249 HD21 LEU 32 3HD2 LEU 32 -9.684 -3.720 -5.620 250 HD22 LEU 32 1HD2 LEU 32 -9.161 -2.596 -4.365 251 HD23 LEU 32 2HD2 LEU 32 -10.859 -2.669 -4.827 252 H LEU 33 H LEU 33 -11.923 -5.777 -0.424 253 HA LEU 33 HA LEU 33 -9.611 -7.567 -0.207 254 HB2 LEU 33 2HB LEU 33 -10.966 -5.847 1.879 255 HB3 LEU 33 3HB LEU 33 -9.453 -6.711 2.087 256 HG LEU 33 HG LEU 33 -9.907 -4.436 0.145 257 HD11 LEU 33 1HD1 LEU 33 -8.378 -4.463 2.749 258 HD12 LEU 33 2HD1 LEU 33 -9.949 -3.702 2.488 259 HD13 LEU 33 3HD1 LEU 33 -8.529 -3.106 1.631 260 HD21 LEU 33 3HD2 LEU 33 -8.223 -6.001 -0.656 261 HD22 LEU 33 1HD2 LEU 33 -7.376 -5.904 0.889 262 HD23 LEU 33 2HD2 LEU 33 -7.480 -4.484 -0.154 263 H LYS 34 H LYS 34 -9.925 -9.682 0.242 264 HA LYS 34 HA LYS 34 -12.119 -10.452 2.047 265 HB2 LYS 34 2HB LYS 34 -12.543 -12.472 0.533 266 HB3 LYS 34 3HB LYS 34 -13.170 -10.921 0.004 267 HG2 LYS 34 2HG LYS 34 -10.476 -11.678 -0.986 268 HG3 LYS 34 3HG LYS 34 -11.850 -12.593 -1.613 269 HD2 LYS 34 2HD LYS 34 -12.919 -10.536 -2.349 270 HD3 LYS 34 3HD LYS 34 -11.614 -9.579 -1.647 271 HE2 LYS 34 2HE LYS 34 -11.157 -11.641 -3.799 272 HE3 LYS 34 3HE LYS 34 -11.518 -9.954 -4.156 273 HZ1 LYS 34 3HZ LYS 34 -9.549 -9.272 -3.026 274 HZ2 LYS 34 1HZ LYS 34 -9.115 -10.487 -4.124 275 HZ3 LYS 34 2HZ LYS 34 -9.233 -10.840 -2.475 276 H LYS 35 H LYS 35 -9.146 -11.576 0.401 277 HA LYS 35 HA LYS 35 -8.826 -13.597 2.521 278 HB2 LYS 35 2HB LYS 35 -7.105 -14.615 1.070 279 HB3 LYS 35 3HB LYS 35 -8.673 -14.515 0.278 280 HG2 LYS 35 2HG LYS 35 -7.980 -12.811 -1.159 281 HG3 LYS 35 3HG LYS 35 -6.595 -12.392 -0.151 282 HD2 LYS 35 2HD LYS 35 -6.872 -15.013 -1.630 283 HD3 LYS 35 3HD LYS 35 -6.024 -13.606 -2.273 284 HE2 LYS 35 2HE LYS 35 -4.526 -13.660 -0.287 285 HE3 LYS 35 3HE LYS 35 -5.334 -15.135 0.245 286 HZ1 LYS 35 3HZ LYS 35 -4.575 -16.259 -1.718 287 HZ2 LYS 35 1HZ LYS 35 -3.245 -15.546 -0.956 288 HZ3 LYS 35 2HZ LYS 35 -3.904 -14.841 -2.341 289 H GLN 36 H GLN 36 -6.837 -13.850 3.614 290 HA GLN 36 HA GLN 36 -5.480 -11.561 4.461 291 HB2 GLN 36 2HB GLN 36 -5.530 -13.747 5.663 292 HB3 GLN 36 3HB GLN 36 -4.455 -14.417 4.450 293 HG2 GLN 36 2HG GLN 36 -3.120 -13.888 6.327 294 HG3 GLN 36 3HG GLN 36 -2.769 -12.671 5.103 295 HE21 GLN 36 1HE2 GLN 36 -5.653 -12.719 7.114 296 HE22 GLN 36 2HE2 GLN 36 -5.262 -11.299 8.001 297 H GLY 37 H GLY 37 -4.637 -10.270 2.834 298 HA2 GLY 37 2HA GLY 37 -2.151 -10.312 1.954 299 HA3 GLY 37 3HA GLY 37 -2.840 -11.493 0.855 300 H ASP 38 H ASP 38 -5.392 -10.122 0.517 301 HA ASP 38 HA ASP 38 -4.880 -8.690 -1.785 302 HB2 ASP 38 2HB ASP 38 -7.227 -8.344 0.097 303 HB3 ASP 38 3HB ASP 38 -7.167 -7.738 -1.552 304 H PHE 39 H PHE 39 -4.007 -6.723 -2.198 305 HA PHE 39 HA PHE 39 -4.482 -4.529 -0.326 306 HB2 PHE 39 2HB PHE 39 -2.182 -3.919 -0.077 307 HB3 PHE 39 3HB PHE 39 -2.319 -5.621 0.336 308 HD1 PHE 39 HD1 PHE 39 -1.509 -7.349 -1.291 309 HD2 PHE 39 HD2 PHE 39 -0.791 -3.187 -1.850 310 HE1 PHE 39 HE1 PHE 39 0.294 -7.871 -2.875 311 HE2 PHE 39 HE2 PHE 39 1.011 -3.710 -3.442 312 HZ PHE 39 HZ PHE 39 1.556 -6.055 -3.952 313 H LEU 40 H LEU 40 -4.193 -2.440 -1.184 314 HA LEU 40 HA LEU 40 -3.285 -2.089 -3.918 315 HB2 LEU 40 2HB LEU 40 -5.268 -1.077 -4.775 316 HB3 LEU 40 3HB LEU 40 -5.714 -2.648 -4.136 317 HG LEU 40 HG LEU 40 -6.093 -0.112 -2.540 318 HD11 LEU 40 1HD1 LEU 40 -7.306 0.149 -4.644 319 HD12 LEU 40 2HD1 LEU 40 -8.414 -0.076 -3.293 320 HD13 LEU 40 3HD1 LEU 40 -8.088 -1.414 -4.396 321 HD21 LEU 40 3HD2 LEU 40 -7.732 -1.436 -1.330 322 HD22 LEU 40 1HD2 LEU 40 -6.159 -2.233 -1.305 323 HD23 LEU 40 2HD2 LEU 40 -7.427 -2.814 -2.384 324 H VAL 41 H VAL 41 -2.889 0.126 -4.460 325 HA VAL 41 HA VAL 41 -2.854 1.965 -2.146 326 HB VAL 41 HB VAL 41 -1.105 1.985 -4.624 327 HG11 VAL 41 1HG1 VAL 41 0.105 3.836 -3.559 328 HG12 VAL 41 2HG1 VAL 41 -1.059 3.842 -2.232 329 HG13 VAL 41 3HG1 VAL 41 -1.580 4.267 -3.863 330 HG21 VAL 41 3HG2 VAL 41 0.720 1.452 -3.088 331 HG22 VAL 41 1HG2 VAL 41 -0.534 0.214 -3.024 332 HG23 VAL 41 2HG2 VAL 41 -0.412 1.413 -1.736 333 H ARG 42 H ARG 42 -4.165 3.675 -2.212 334 HA ARG 42 HA ARG 42 -5.095 4.675 -4.838 335 HB2 ARG 42 2HB ARG 42 -7.267 5.150 -3.909 336 HB3 ARG 42 3HB ARG 42 -6.888 3.463 -3.579 337 HG2 ARG 42 2HG ARG 42 -6.345 3.989 -1.281 338 HG3 ARG 42 3HG ARG 42 -6.562 5.712 -1.591 339 HD2 ARG 42 2HD ARG 42 -8.948 5.204 -2.206 340 HD3 ARG 42 3HD ARG 42 -8.676 3.556 -1.636 341 HE ARG 42 HE ARG 42 -8.250 4.504 0.578 342 HH11 ARG 42 1HH1 ARG 42 -9.904 6.492 -1.712 343 HH12 ARG 42 2HH1 ARG 42 -10.590 7.501 -0.486 344 HH21 ARG 42 1HH2 ARG 42 -9.145 5.817 2.126 345 HH22 ARG 42 2HH2 ARG 42 -10.172 7.123 1.649 346 H GLU 43 H GLU 43 -5.742 6.994 -4.811 347 HA GLU 43 HA GLU 43 -4.095 8.527 -2.902 348 HB2 GLU 43 2HB GLU 43 -3.532 8.888 -5.266 349 HB3 GLU 43 3HB GLU 43 -5.191 9.369 -5.600 350 HG2 GLU 43 2HG GLU 43 -4.944 11.313 -4.157 351 HG3 GLU 43 3HG GLU 43 -3.304 10.816 -3.740 352 H SER 44 H SER 44 -4.938 10.327 -1.824 353 HA SER 44 HA SER 44 -7.685 10.151 -1.072 354 HB2 SER 44 2HB SER 44 -5.649 12.314 -0.457 355 HB3 SER 44 3HB SER 44 -7.209 12.118 0.344 356 HG SER 44 HG SER 44 -4.881 10.566 0.536 357 H HIS 45 H HIS 45 -9.329 11.775 -1.300 358 HA HIS 45 HA HIS 45 -9.389 12.836 -3.993 359 HB2 HIS 45 2HB HIS 45 -11.446 12.802 -1.779 360 HB3 HIS 45 3HB HIS 45 -11.742 13.496 -3.370 361 HD1 HIS 45 HD1 HIS 45 -13.386 11.857 -4.320 362 HD2 HIS 45 HD2 HIS 45 -10.045 9.979 -2.722 363 HE1 HIS 45 HE1 HIS 45 -13.610 9.444 -4.947 364 HE2 HIS 45 HE2 HIS 45 -11.453 8.400 -4.202 365 H GLY 46 H GLY 46 -9.761 14.305 -0.738 366 HA2 GLY 46 2HA GLY 46 -9.484 16.983 -1.906 367 HA3 GLY 46 3HA GLY 46 -9.901 16.611 -0.241 368 H LYS 47 H LYS 47 -7.384 14.650 -0.833 369 HA LYS 47 HA LYS 47 -5.387 16.639 0.065 370 HB2 LYS 47 2HB LYS 47 -6.274 15.038 1.825 371 HB3 LYS 47 3HB LYS 47 -5.526 13.736 0.918 372 HG2 LYS 47 2HG LYS 47 -4.119 14.338 2.762 373 HG3 LYS 47 3HG LYS 47 -3.326 14.796 1.257 374 HD2 LYS 47 2HD LYS 47 -3.609 17.061 1.638 375 HD3 LYS 47 3HD LYS 47 -4.980 16.817 2.723 376 HE2 LYS 47 2HE LYS 47 -2.871 17.567 3.852 377 HE3 LYS 47 3HE LYS 47 -3.551 16.069 4.486 378 HZ1 LYS 47 3HZ LYS 47 -1.359 16.133 2.485 379 HZ2 LYS 47 1HZ LYS 47 -1.899 14.804 3.383 380 HZ3 LYS 47 2HZ LYS 47 -1.088 16.074 4.150 381 HA PRO 48 HA PRO 48 -3.965 14.638 -3.904 382 HB2 PRO 48 2HB PRO 48 -2.754 16.860 -4.921 383 HB3 PRO 48 3HB PRO 48 -4.482 16.537 -5.091 384 HG2 PRO 48 2HG PRO 48 -3.072 18.305 -3.118 385 HG3 PRO 48 3HG PRO 48 -4.546 18.629 -4.052 386 HD2 PRO 48 2HD PRO 48 -4.630 17.871 -1.460 387 HD3 PRO 48 3HD PRO 48 -5.879 17.383 -2.624 388 H GLY 49 H GLY 49 -2.119 13.493 -4.009 389 HA2 GLY 49 2HA GLY 49 0.226 13.183 -3.936 390 HA3 GLY 49 3HA GLY 49 0.375 14.619 -2.935 391 H GLU 50 H GLU 50 -2.114 12.991 -1.578 392 HA GLU 50 HA GLU 50 -0.348 11.453 0.223 393 HB2 GLU 50 2HB GLU 50 -1.575 13.304 1.297 394 HB3 GLU 50 3HB GLU 50 -3.097 12.591 0.784 395 HG2 GLU 50 2HG GLU 50 -2.739 10.672 2.193 396 HG3 GLU 50 3HG GLU 50 -1.121 11.231 2.609 397 H TYR 51 H TYR 51 -0.367 9.363 -0.219 398 HA TYR 51 HA TYR 51 -2.761 8.133 -1.400 399 HB2 TYR 51 2HB TYR 51 0.121 7.199 -1.336 400 HB3 TYR 51 3HB TYR 51 -1.206 6.304 -2.073 401 HD1 TYR 51 HD2 TYR 51 0.405 9.686 -2.226 402 HD2 TYR 51 HD1 TYR 51 -1.589 6.583 -4.357 403 HE1 TYR 51 HE2 TYR 51 0.753 10.908 -4.327 404 HE2 TYR 51 HE1 TYR 51 -1.237 7.802 -6.462 405 HH TYR 51 HH TYR 51 0.935 10.235 -6.829 406 H VAL 52 H VAL 52 -3.711 6.313 -0.532 407 HA VAL 52 HA VAL 52 -2.833 5.531 2.179 408 HB VAL 52 HB VAL 52 -5.648 5.450 1.060 409 HG11 VAL 52 1HG1 VAL 52 -4.624 4.909 3.856 410 HG12 VAL 52 2HG1 VAL 52 -5.264 3.712 2.729 411 HG13 VAL 52 3HG1 VAL 52 -6.322 4.964 3.378 412 HG21 VAL 52 3HG2 VAL 52 -6.117 7.317 2.581 413 HG22 VAL 52 1HG2 VAL 52 -4.887 7.750 1.394 414 HG23 VAL 52 2HG2 VAL 52 -4.417 7.366 3.051 415 H LEU 53 H LEU 53 -2.102 3.515 2.350 416 HA LEU 53 HA LEU 53 -2.577 1.534 0.272 417 HB2 LEU 53 2HB LEU 53 -0.331 1.758 1.165 418 HB3 LEU 53 3HB LEU 53 -0.914 1.498 2.799 419 HG LEU 53 HG LEU 53 -1.535 -0.832 2.173 420 HD11 LEU 53 1HD1 LEU 53 -1.841 -0.505 -0.226 421 HD12 LEU 53 2HD1 LEU 53 -0.685 -1.794 0.102 422 HD13 LEU 53 3HD1 LEU 53 -0.110 -0.207 -0.413 423 HD21 LEU 53 3HD2 LEU 53 0.756 -1.703 2.114 424 HD22 LEU 53 1HD2 LEU 53 0.586 -0.390 3.275 425 HD23 LEU 53 2HD2 LEU 53 1.357 -0.092 1.717 426 H SER 54 H SER 54 -4.245 0.142 0.360 427 HA SER 54 HA SER 54 -5.456 -0.463 2.991 428 HB2 SER 54 2HB SER 54 -6.738 -0.528 0.243 429 HB3 SER 54 3HB SER 54 -7.546 -0.943 1.755 430 HG SER 54 HG SER 54 -6.596 1.573 0.880 431 H VAL 55 H VAL 55 -4.978 -2.419 3.729 432 HA VAL 55 HA VAL 55 -4.752 -4.672 1.839 433 HB VAL 55 HB VAL 55 -2.486 -3.999 2.396 434 HG11 VAL 55 1HG1 VAL 55 -1.646 -4.031 4.699 435 HG12 VAL 55 2HG1 VAL 55 -3.273 -4.368 5.291 436 HG13 VAL 55 3HG1 VAL 55 -2.924 -2.834 4.490 437 HG21 VAL 55 3HG2 VAL 55 -1.633 -6.114 3.325 438 HG22 VAL 55 1HG2 VAL 55 -2.902 -6.394 2.132 439 HG23 VAL 55 2HG2 VAL 55 -3.262 -6.537 3.852 440 H TYR 56 H TYR 56 -5.579 -6.630 2.537 441 HA TYR 56 HA TYR 56 -7.194 -6.593 4.965 442 HB2 TYR 56 2HB TYR 56 -7.929 -7.554 2.696 443 HB3 TYR 56 3HB TYR 56 -6.865 -8.910 3.046 444 HD1 TYR 56 HD1 TYR 56 -9.949 -7.169 4.033 445 HD2 TYR 56 HD2 TYR 56 -7.502 -10.586 4.690 446 HE1 TYR 56 HE1 TYR 56 -11.781 -8.233 5.272 447 HE2 TYR 56 HE2 TYR 56 -9.333 -11.662 5.929 448 HH TYR 56 HH TYR 56 -11.368 -10.956 7.204 449 H SER 57 H SER 57 -6.032 -6.904 6.801 450 HA SER 57 HA SER 57 -4.132 -9.162 6.912 451 HB2 SER 57 2HB SER 57 -2.838 -7.080 6.617 452 HB3 SER 57 3HB SER 57 -3.613 -6.396 8.045 453 HG SER 57 HG SER 57 -2.493 -7.743 9.330 454 H ASP 58 H ASP 58 -4.025 -10.284 8.836 455 HA ASP 58 HA ASP 58 -4.815 -11.195 10.768 456 HB2 ASP 58 2HB ASP 58 -5.200 -8.286 11.529 457 HB3 ASP 58 3HB ASP 58 -5.160 -9.641 12.656 458 H GLY 59 H GLY 59 -6.799 -10.570 8.589 459 HA2 GLY 59 2HA GLY 59 -9.049 -11.138 8.365 460 HA3 GLY 59 3HA GLY 59 -9.210 -11.105 10.113 461 H GLN 60 H GLN 60 -7.729 -8.307 9.544 462 HA GLN 60 HA GLN 60 -10.265 -6.801 9.402 463 HB2 GLN 60 2HB GLN 60 -7.577 -5.914 10.484 464 HB3 GLN 60 3HB GLN 60 -9.091 -5.030 10.602 465 HG2 GLN 60 2HG GLN 60 -10.003 -6.686 12.099 466 HG3 GLN 60 3HG GLN 60 -8.588 -7.715 11.882 467 HE21 GLN 60 1HE2 GLN 60 -6.716 -5.494 11.960 468 HE22 GLN 60 2HE2 GLN 60 -6.632 -4.984 13.604 469 H ARG 61 H ARG 61 -10.460 -5.017 7.973 470 HA ARG 61 HA ARG 61 -8.507 -4.831 5.839 471 HB2 ARG 61 2HB ARG 61 -10.998 -3.178 6.361 472 HB3 ARG 61 3HB ARG 61 -9.974 -3.019 4.943 473 HG2 ARG 61 2HG ARG 61 -11.598 -4.381 4.095 474 HG3 ARG 61 3HG ARG 61 -10.475 -5.599 4.694 475 HD2 ARG 61 2HD ARG 61 -12.620 -6.288 5.406 476 HD3 ARG 61 3HD ARG 61 -11.842 -5.608 6.836 477 HE ARG 61 HE ARG 61 -13.696 -4.008 5.202 478 HH11 ARG 61 1HH1 ARG 61 -12.852 -5.401 8.242 479 HH12 ARG 61 2HH1 ARG 61 -14.038 -4.483 9.106 480 HH21 ARG 61 1HH2 ARG 61 -15.220 -2.860 6.327 481 HH22 ARG 61 2HH2 ARG 61 -15.324 -3.038 8.047 482 H ARG 62 H ARG 62 -6.615 -3.917 6.376 483 HA ARG 62 HA ARG 62 -6.529 -1.711 8.295 484 HB2 ARG 62 2HB ARG 62 -4.279 -3.311 7.047 485 HB3 ARG 62 3HB ARG 62 -4.091 -2.098 8.305 486 HG2 ARG 62 2HG ARG 62 -5.635 -4.677 8.587 487 HG3 ARG 62 3HG ARG 62 -4.005 -4.381 9.192 488 HD2 ARG 62 2HD ARG 62 -6.476 -2.854 10.019 489 HD3 ARG 62 3HD ARG 62 -5.732 -4.157 10.943 490 HE ARG 62 HE ARG 62 -3.679 -2.569 10.853 491 HH11 ARG 62 1HH1 ARG 62 -6.977 -1.623 11.239 492 HH12 ARG 62 2HH1 ARG 62 -6.564 -0.177 12.088 493 HH21 ARG 62 1HH2 ARG 62 -3.181 -0.723 11.959 494 HH22 ARG 62 2HH2 ARG 62 -4.451 0.332 12.481 495 H HIS 63 H HIS 63 -5.973 0.363 7.793 496 HA HIS 63 HA HIS 63 -5.151 0.932 5.006 497 HB2 HIS 63 2HB HIS 63 -6.807 2.711 6.820 498 HB3 HIS 63 3HB HIS 63 -6.360 3.052 5.150 499 HD1 HIS 63 HD1 HIS 63 -7.486 1.479 3.308 500 HD2 HIS 63 HD2 HIS 63 -9.099 1.224 7.129 501 HE1 HIS 63 HE1 HIS 63 -9.703 0.348 3.025 502 HE2 HIS 63 HE2 HIS 63 -10.748 0.422 5.307 503 H PHE 64 H PHE 64 -3.115 1.651 4.899 504 HA PHE 64 HA PHE 64 -2.019 3.221 7.151 505 HB2 PHE 64 2HB PHE 64 -0.499 1.570 5.112 506 HB3 PHE 64 3HB PHE 64 0.202 2.437 6.473 507 HD1 PHE 64 HD2 PHE 64 -0.412 1.699 8.818 508 HD2 PHE 64 HD1 PHE 64 -1.293 -0.622 5.356 509 HE1 PHE 64 HE2 PHE 64 -0.676 -0.301 10.228 510 HE2 PHE 64 HE1 PHE 64 -1.561 -2.622 6.763 511 HZ PHE 64 HZ PHE 64 -1.251 -2.463 9.201 512 H ILE 65 H ILE 65 -1.928 5.344 6.679 513 HA ILE 65 HA ILE 65 -1.888 6.345 3.989 514 HB ILE 65 HB ILE 65 -1.501 7.768 6.635 515 HG12 ILE 65 2HG1 ILE 65 -3.884 7.587 4.766 516 HG13 ILE 65 3HG1 ILE 65 -3.735 6.780 6.322 517 HG21 ILE 65 1HG2 ILE 65 -0.415 9.036 4.848 518 HG22 ILE 65 2HG2 ILE 65 -1.869 9.862 5.401 519 HG23 ILE 65 3HG2 ILE 65 -1.891 8.965 3.883 520 HD11 ILE 65 3HD1 ILE 65 -3.686 8.963 7.431 521 HD12 ILE 65 1HD1 ILE 65 -5.153 8.731 6.482 522 HD13 ILE 65 2HD1 ILE 65 -3.856 9.753 5.862 523 H ILE 66 H ILE 66 -0.194 7.173 2.815 524 HA ILE 66 HA ILE 66 2.495 6.470 3.698 525 HB ILE 66 HB ILE 66 1.593 7.635 1.049 526 HG12 ILE 66 2HG1 ILE 66 2.096 4.755 1.846 527 HG13 ILE 66 3HG1 ILE 66 0.537 5.460 1.445 528 HG21 ILE 66 1HG2 ILE 66 3.746 6.848 0.204 529 HG22 ILE 66 2HG2 ILE 66 4.177 6.272 1.814 530 HG23 ILE 66 3HG2 ILE 66 3.967 8.000 1.522 531 HD11 ILE 66 3HD1 ILE 66 1.329 5.858 -0.845 532 HD12 ILE 66 1HD1 ILE 66 1.371 4.152 -0.399 533 HD13 ILE 66 2HD1 ILE 66 2.864 5.091 -0.430 534 H GLN 67 H GLN 67 3.582 7.940 4.898 535 HA GLN 67 HA GLN 67 2.985 10.771 4.725 536 HB2 GLN 67 2HB GLN 67 5.100 9.324 6.342 537 HB3 GLN 67 3HB GLN 67 4.704 11.029 6.489 538 HG2 GLN 67 2HG GLN 67 3.635 9.938 8.285 539 HG3 GLN 67 3HG GLN 67 2.366 10.323 7.122 540 HE21 GLN 67 1HE2 GLN 67 0.997 8.706 7.877 541 HE22 GLN 67 2HE2 GLN 67 1.309 7.032 7.591 542 H TYR 68 H TYR 68 3.991 12.220 3.471 543 HA TYR 68 HA TYR 68 6.391 11.414 1.996 544 HB2 TYR 68 2HB TYR 68 4.456 12.366 0.762 545 HB3 TYR 68 3HB TYR 68 4.627 13.862 1.671 546 HD1 TYR 68 HD1 TYR 68 6.677 11.597 -0.497 547 HD2 TYR 68 HD2 TYR 68 5.799 15.597 0.663 548 HE1 TYR 68 HE1 TYR 68 8.225 12.433 -2.217 549 HE2 TYR 68 HE2 TYR 68 7.346 16.442 -1.047 550 HH TYR 68 HH TYR 68 9.280 15.676 -2.322 551 H VAL 69 H VAL 69 8.094 11.644 3.368 552 HA VAL 69 HA VAL 69 8.636 14.335 4.460 553 HB VAL 69 HB VAL 69 9.096 11.740 5.961 554 HG11 VAL 69 1HG1 VAL 69 9.743 13.186 7.845 555 HG12 VAL 69 2HG1 VAL 69 9.581 14.601 6.804 556 HG13 VAL 69 3HG1 VAL 69 10.817 13.389 6.459 557 HG21 VAL 69 3HG2 VAL 69 6.720 12.328 5.896 558 HG22 VAL 69 1HG2 VAL 69 7.094 13.945 6.499 559 HG23 VAL 69 2HG2 VAL 69 7.377 12.535 7.520 560 H ASP 70 H ASP 70 10.820 14.935 4.533 561 HA ASP 70 HA ASP 70 12.878 15.155 3.587 562 HB2 ASP 70 2HB ASP 70 12.937 12.154 4.015 563 HB3 ASP 70 3HB ASP 70 14.341 13.132 3.601 564 H ASN 71 H ASN 71 10.576 14.754 1.852 565 HA ASN 71 HA ASN 71 9.974 14.371 -0.293 566 HB2 ASN 71 2HB ASN 71 12.966 14.547 -0.695 567 HB3 ASN 71 3HB ASN 71 11.809 14.465 -2.022 568 HD21 ASN 71 1HD2 ASN 71 13.092 16.424 0.532 569 HD22 ASN 71 2HD2 ASN 71 12.346 17.900 0.037 570 H MET 72 H MET 72 10.464 12.089 1.476 571 HA MET 72 HA MET 72 10.580 10.012 -0.617 572 HB2 MET 72 2HB MET 72 11.790 9.836 2.156 573 HB3 MET 72 3HB MET 72 11.625 8.476 1.054 574 HG2 MET 72 2HG MET 72 13.075 9.643 -0.563 575 HG3 MET 72 3HG MET 72 13.283 10.951 0.604 576 HE1 MET 72 3HE MET 72 15.942 10.658 0.393 577 HE2 MET 72 1HE MET 72 15.700 9.345 -0.758 578 HE3 MET 72 2HE MET 72 16.768 9.119 0.627 579 H TYR 73 H TYR 73 9.056 8.417 -0.475 580 HA TYR 73 HA TYR 73 6.787 8.884 1.269 581 HB2 TYR 73 2HB TYR 73 7.239 6.778 -0.865 582 HB3 TYR 73 3HB TYR 73 5.706 7.120 -0.073 583 HD1 TYR 73 HD2 TYR 73 4.455 9.169 -0.603 584 HD2 TYR 73 HD1 TYR 73 8.118 8.254 -2.578 585 HE1 TYR 73 HE2 TYR 73 3.938 10.841 -2.329 586 HE2 TYR 73 HE1 TYR 73 7.610 9.924 -4.306 587 HH TYR 73 HH TYR 73 5.106 12.212 -3.990 588 H ARG 74 H ARG 74 6.453 7.856 3.187 589 HA ARG 74 HA ARG 74 7.941 5.364 3.723 590 HB2 ARG 74 2HB ARG 74 8.719 6.232 5.862 591 HB3 ARG 74 3HB ARG 74 9.269 7.261 4.547 592 HG2 ARG 74 2HG ARG 74 7.382 8.809 5.044 593 HG3 ARG 74 3HG ARG 74 6.992 7.812 6.447 594 HD2 ARG 74 2HD ARG 74 8.317 9.705 7.155 595 HD3 ARG 74 3HD ARG 74 9.268 8.230 7.332 596 HE ARG 74 HE ARG 74 9.735 9.467 4.818 597 HH11 ARG 74 1HH1 ARG 74 10.511 9.729 8.172 598 HH12 ARG 74 2HH1 ARG 74 12.006 10.539 7.866 599 HH21 ARG 74 1HH2 ARG 74 11.646 10.520 4.456 600 HH22 ARG 74 2HH2 ARG 74 12.625 11.004 5.794 601 H PHE 75 H PHE 75 7.345 4.375 5.844 602 HA PHE 75 HA PHE 75 4.609 4.994 6.768 603 HB2 PHE 75 2HB PHE 75 5.809 2.240 6.352 604 HB3 PHE 75 3HB PHE 75 4.325 2.536 7.244 605 HD1 PHE 75 HD1 PHE 75 2.416 3.721 5.961 606 HD2 PHE 75 HD2 PHE 75 5.733 1.830 4.070 607 HE1 PHE 75 HE1 PHE 75 1.108 3.506 3.891 608 HE2 PHE 75 HE2 PHE 75 4.430 1.619 1.992 609 HZ PHE 75 HZ PHE 75 2.115 2.457 1.900 610 H GLU 76 H GLU 76 6.983 2.577 7.839 611 HA GLU 76 HA GLU 76 6.830 3.519 10.583 612 HB2 GLU 76 2HB GLU 76 6.838 1.089 9.978 613 HB3 GLU 76 3HB GLU 76 8.476 1.272 9.371 614 HG2 GLU 76 2HG GLU 76 8.657 0.304 11.515 615 HG3 GLU 76 3HG GLU 76 9.145 1.986 11.692 616 H GLY 77 H GLY 77 7.868 5.606 9.311 617 HA2 GLY 77 2HA GLY 77 9.674 7.057 9.356 618 HA3 GLY 77 3HA GLY 77 10.580 5.837 10.238 619 H THR 78 H THR 78 10.933 3.784 8.669 620 HA THR 78 HA THR 78 12.711 4.503 6.622 621 HB THR 78 HB THR 78 11.234 1.871 6.916 622 HG1 THR 78 HG1 THR 78 13.279 3.026 8.373 623 HG21 THR 78 3HG2 THR 78 13.137 0.896 5.734 624 HG22 THR 78 1HG2 THR 78 13.865 2.495 5.564 625 HG23 THR 78 2HG2 THR 78 12.352 2.121 4.740 626 H GLY 79 H GLY 79 12.370 5.167 4.574 627 HA2 GLY 79 2HA GLY 79 9.963 4.282 3.142 628 HA3 GLY 79 3HA GLY 79 10.211 6.010 3.331 629 H PHE 80 H PHE 80 9.977 5.261 0.844 630 HA PHE 80 HA PHE 80 12.731 5.164 -0.221 631 HB2 PHE 80 2HB PHE 80 10.229 3.853 -1.296 632 HB3 PHE 80 3HB PHE 80 11.692 4.050 -2.257 633 HD1 PHE 80 HD1 PHE 80 10.330 2.469 0.810 634 HD2 PHE 80 HD2 PHE 80 13.505 2.564 -2.027 635 HE1 PHE 80 HE1 PHE 80 11.229 0.384 1.755 636 HE2 PHE 80 HE2 PHE 80 14.408 0.478 -1.084 637 HZ PHE 80 HZ PHE 80 13.270 -0.614 0.804 638 H SER 81 H SER 81 13.116 6.278 -2.185 639 HA SER 81 HA SER 81 12.135 8.884 -2.294 640 HB2 SER 81 2HB SER 81 13.289 9.004 -4.503 641 HB3 SER 81 3HB SER 81 14.289 8.291 -3.239 642 HG SER 81 HG SER 81 14.449 7.028 -5.082 643 H ASN 82 H ASN 82 11.053 6.025 -4.044 644 HA ASN 82 HA ASN 82 8.968 7.645 -5.379 645 HB2 ASN 82 2HB ASN 82 10.430 5.203 -6.413 646 HB3 ASN 82 3HB ASN 82 9.055 5.952 -7.219 647 HD21 ASN 82 1HD2 ASN 82 12.384 6.380 -6.259 648 HD22 ASN 82 2HD2 ASN 82 12.734 7.654 -7.365 649 H ILE 83 H ILE 83 6.876 6.919 -5.357 650 HA ILE 83 HA ILE 83 5.936 5.163 -3.415 651 HB ILE 83 HB ILE 83 4.563 5.886 -6.017 652 HG12 ILE 83 2HG1 ILE 83 4.344 7.143 -3.267 653 HG13 ILE 83 3HG1 ILE 83 5.200 7.839 -4.637 654 HG21 ILE 83 1HG2 ILE 83 3.394 4.772 -3.458 655 HG22 ILE 83 2HG2 ILE 83 3.528 3.924 -5.000 656 HG23 ILE 83 3HG2 ILE 83 2.467 5.326 -4.853 657 HD11 ILE 83 3HD1 ILE 83 3.107 8.017 -5.865 658 HD12 ILE 83 1HD1 ILE 83 3.027 8.868 -4.324 659 HD13 ILE 83 2HD1 ILE 83 2.241 7.300 -4.503 660 HA PRO 84 HA PRO 84 5.549 1.714 -6.959 661 HB2 PRO 84 2HB PRO 84 7.674 1.966 -8.760 662 HB3 PRO 84 3HB PRO 84 5.987 2.366 -9.092 663 HG2 PRO 84 2HG PRO 84 8.237 4.163 -8.292 664 HG3 PRO 84 3HG PRO 84 6.932 4.450 -9.458 665 HD2 PRO 84 2HD PRO 84 6.862 5.554 -7.028 666 HD3 PRO 84 3HD PRO 84 5.378 4.930 -7.781 667 H GLN 85 H GLN 85 8.728 3.097 -6.101 668 HA GLN 85 HA GLN 85 9.989 0.539 -5.823 669 HB2 GLN 85 2HB GLN 85 10.821 3.338 -5.067 670 HB3 GLN 85 3HB GLN 85 11.819 1.937 -4.697 671 HG2 GLN 85 2HG GLN 85 10.909 2.736 -7.460 672 HG3 GLN 85 3HG GLN 85 12.501 3.068 -6.774 673 HE21 GLN 85 1HE2 GLN 85 10.355 0.576 -7.952 674 HE22 GLN 85 2HE2 GLN 85 11.560 -0.647 -8.132 675 H LEU 86 H LEU 86 8.472 2.784 -3.560 676 HA LEU 86 HA LEU 86 9.135 1.599 -1.137 677 HB2 LEU 86 2HB LEU 86 7.894 3.693 -1.333 678 HB3 LEU 86 3HB LEU 86 6.524 2.844 -2.018 679 HG LEU 86 HG LEU 86 6.189 1.671 0.140 680 HD11 LEU 86 1HD1 LEU 86 8.470 1.706 0.978 681 HD12 LEU 86 2HD1 LEU 86 7.370 2.445 2.139 682 HD13 LEU 86 3HD1 LEU 86 8.403 3.464 1.135 683 HD21 LEU 86 3HD2 LEU 86 6.252 4.686 0.316 684 HD22 LEU 86 1HD2 LEU 86 5.343 3.617 1.383 685 HD23 LEU 86 2HD2 LEU 86 4.936 3.703 -0.329 686 H ILE 87 H ILE 87 6.285 0.893 -3.164 687 HA ILE 87 HA ILE 87 5.470 -1.386 -1.660 688 HB ILE 87 HB ILE 87 4.707 -0.580 -4.477 689 HG12 ILE 87 2HG1 ILE 87 4.172 1.159 -2.832 690 HG13 ILE 87 3HG1 ILE 87 2.702 0.397 -3.426 691 HG21 ILE 87 1HG2 ILE 87 2.728 -1.993 -4.149 692 HG22 ILE 87 2HG2 ILE 87 3.352 -2.505 -2.580 693 HG23 ILE 87 3HG2 ILE 87 4.218 -2.933 -4.055 694 HD11 ILE 87 3HD1 ILE 87 2.589 0.798 -1.037 695 HD12 ILE 87 1HD1 ILE 87 4.042 -0.170 -0.788 696 HD13 ILE 87 2HD1 ILE 87 2.565 -0.932 -1.380 697 H ASP 88 H ASP 88 7.093 -1.074 -4.839 698 HA ASP 88 HA ASP 88 7.327 -3.752 -5.500 699 HB2 ASP 88 2HB ASP 88 7.908 -2.090 -7.123 700 HB3 ASP 88 3HB ASP 88 9.165 -1.423 -6.087 701 H HIS 89 H HIS 89 9.734 -1.797 -3.711 702 HA HIS 89 HA HIS 89 11.565 -3.911 -3.370 703 HB2 HIS 89 2HB HIS 89 11.868 -1.328 -3.051 704 HB3 HIS 89 3HB HIS 89 11.399 -1.659 -1.385 705 HD1 HIS 89 HD1 HIS 89 13.212 -2.543 0.141 706 HD2 HIS 89 HD2 HIS 89 14.264 -2.721 -3.874 707 HE1 HIS 89 HE1 HIS 89 15.624 -3.226 0.105 708 HE2 HIS 89 HE2 HIS 89 16.187 -3.481 -2.333 709 H HIS 90 H HIS 90 8.901 -2.755 -1.293 710 HA HIS 90 HA HIS 90 9.369 -4.587 0.837 711 HB2 HIS 90 2HB HIS 90 7.096 -2.851 -0.006 712 HB3 HIS 90 3HB HIS 90 6.725 -4.177 1.087 713 HD1 HIS 90 HD1 HIS 90 8.231 -0.812 0.982 714 HD2 HIS 90 HD2 HIS 90 8.019 -4.012 3.621 715 HE1 HIS 90 HE1 HIS 90 8.930 0.108 3.216 716 HE2 HIS 90 HE2 HIS 90 8.643 -1.815 4.821 717 H TYR 91 H TYR 91 7.401 -4.819 -2.093 718 HA TYR 91 HA TYR 91 6.085 -7.237 -1.409 719 HB2 TYR 91 2HB TYR 91 5.220 -5.622 -3.073 720 HB3 TYR 91 3HB TYR 91 6.557 -6.024 -4.146 721 HD1 TYR 91 HD1 TYR 91 3.565 -7.443 -2.468 722 HD2 TYR 91 HD2 TYR 91 6.379 -7.866 -5.635 723 HE1 TYR 91 HE1 TYR 91 2.202 -9.243 -3.430 724 HE2 TYR 91 HE2 TYR 91 5.021 -9.675 -6.605 725 HH TYR 91 HH TYR 91 3.335 -11.267 -5.960 726 H THR 92 H THR 92 8.861 -6.572 -3.548 727 HA THR 92 HA THR 92 9.331 -9.248 -4.309 728 HB THR 92 HB THR 92 11.652 -8.463 -4.914 729 HG1 THR 92 HG1 THR 92 10.787 -5.837 -4.329 730 HG21 THR 92 3HG2 THR 92 10.893 -6.944 -6.698 731 HG22 THR 92 1HG2 THR 92 9.342 -6.762 -5.876 732 HG23 THR 92 2HG2 THR 92 9.818 -8.331 -6.524 733 H THR 93 H THR 93 10.947 -7.294 -1.766 734 HA THR 93 HA THR 93 12.448 -9.511 -0.747 735 HB THR 93 HB THR 93 12.954 -8.114 1.191 736 HG1 THR 93 HG1 THR 93 11.601 -5.874 0.401 737 HG21 THR 93 3HG2 THR 93 13.981 -6.204 0.064 738 HG22 THR 93 1HG2 THR 93 12.949 -6.461 -1.343 739 HG23 THR 93 2HG2 THR 93 14.168 -7.661 -0.912 740 H LYS 94 H LYS 94 9.188 -8.581 -0.453 741 HA LYS 94 HA LYS 94 7.397 -9.448 0.633 742 HB2 LYS 94 2HB LYS 94 8.673 -11.587 -0.117 743 HB3 LYS 94 3HB LYS 94 9.119 -11.741 1.575 744 HG2 LYS 94 2HG LYS 94 7.191 -13.117 1.055 745 HG3 LYS 94 3HG LYS 94 6.752 -11.842 2.194 746 HD2 LYS 94 2HD LYS 94 5.744 -10.541 0.415 747 HD3 LYS 94 3HD LYS 94 6.294 -11.702 -0.794 748 HE2 LYS 94 2HE LYS 94 4.352 -12.310 1.439 749 HE3 LYS 94 3HE LYS 94 3.900 -11.949 -0.226 750 HZ1 LYS 94 3HZ LYS 94 5.200 -13.893 -0.923 751 HZ2 LYS 94 1HZ LYS 94 3.934 -14.310 0.119 752 HZ3 LYS 94 2HZ LYS 94 5.518 -14.262 0.697 753 H GLN 95 H GLN 95 9.165 -7.616 2.007 754 HA GLN 95 HA GLN 95 9.247 -8.507 4.784 755 HB2 GLN 95 2HB GLN 95 10.227 -5.995 3.423 756 HB3 GLN 95 3HB GLN 95 10.322 -6.245 5.161 757 HG2 GLN 95 2HG GLN 95 11.616 -7.998 3.074 758 HG3 GLN 95 3HG GLN 95 12.434 -6.752 4.017 759 HE21 GLN 95 1HE2 GLN 95 10.961 -9.905 4.111 760 HE22 GLN 95 2HE2 GLN 95 11.594 -10.370 5.648 761 H VAL 96 H VAL 96 8.620 -6.817 6.459 762 HA VAL 96 HA VAL 96 5.783 -6.448 6.209 763 HB VAL 96 HB VAL 96 5.865 -5.727 8.554 764 HG11 VAL 96 1HG1 VAL 96 7.543 -8.176 7.975 765 HG12 VAL 96 2HG1 VAL 96 5.784 -8.109 8.089 766 HG13 VAL 96 3HG1 VAL 96 6.770 -7.810 9.519 767 HG21 VAL 96 3HG2 VAL 96 7.951 -4.461 8.506 768 HG22 VAL 96 1HG2 VAL 96 8.867 -5.948 8.259 769 HG23 VAL 96 2HG2 VAL 96 8.001 -5.685 9.775 770 H ILE 97 H ILE 97 4.604 -4.514 6.488 771 HA ILE 97 HA ILE 97 5.717 -2.173 5.269 772 HB ILE 97 HB ILE 97 3.057 -2.587 6.654 773 HG12 ILE 97 2HG1 ILE 97 3.358 -4.002 4.669 774 HG13 ILE 97 3HG1 ILE 97 2.156 -2.752 4.366 775 HG21 ILE 97 1HG2 ILE 97 3.960 -0.300 4.898 776 HG22 ILE 97 2HG2 ILE 97 3.643 -0.220 6.630 777 HG23 ILE 97 3HG2 ILE 97 2.324 -0.544 5.508 778 HD11 ILE 97 3HD1 ILE 97 3.600 -3.052 2.449 779 HD12 ILE 97 1HD1 ILE 97 5.021 -2.719 3.435 780 HD13 ILE 97 2HD1 ILE 97 3.829 -1.450 3.144 781 H THR 98 H THR 98 4.171 -2.525 8.487 782 HA THR 98 HA THR 98 6.206 -0.678 9.585 783 HB THR 98 HB THR 98 4.533 0.172 11.191 784 HG1 THR 98 HG1 THR 98 2.287 -0.315 10.742 785 HG21 THR 98 3HG2 THR 98 3.652 0.465 8.315 786 HG22 THR 98 1HG2 THR 98 4.894 1.424 9.118 787 HG23 THR 98 2HG2 THR 98 3.213 1.542 9.641 788 H LYS 99 H LYS 99 7.061 -1.171 11.595 789 HA LYS 99 HA LYS 99 6.878 -3.876 12.503 790 HB2 LYS 99 2HB LYS 99 8.124 -1.462 13.845 791 HB3 LYS 99 3HB LYS 99 8.370 -3.135 14.330 792 HG2 LYS 99 2HG LYS 99 9.175 -1.942 11.678 793 HG3 LYS 99 3HG LYS 99 10.255 -2.263 13.037 794 HD2 LYS 99 2HD LYS 99 9.727 -4.663 12.872 795 HD3 LYS 99 3HD LYS 99 8.669 -4.332 11.499 796 HE2 LYS 99 2HE LYS 99 10.809 -5.129 10.703 797 HE3 LYS 99 3HE LYS 99 10.610 -3.437 10.259 798 HZ1 LYS 99 3HZ LYS 99 12.816 -3.794 11.070 799 HZ2 LYS 99 1HZ LYS 99 12.241 -4.497 12.495 800 HZ3 LYS 99 2HZ LYS 99 11.984 -2.853 12.201 801 H LYS 100 H LYS 100 5.138 -0.996 13.187 802 HA LYS 100 HA LYS 100 3.983 -1.539 15.676 803 HB2 LYS 100 2HB LYS 100 2.580 -0.329 13.278 804 HB3 LYS 100 3HB LYS 100 2.130 -0.124 14.964 805 HG2 LYS 100 2HG LYS 100 4.694 0.867 13.725 806 HG3 LYS 100 3HG LYS 100 3.255 1.846 14.008 807 HD2 LYS 100 2HD LYS 100 3.450 1.400 16.427 808 HD3 LYS 100 3HD LYS 100 4.914 0.460 16.124 809 HE2 LYS 100 2HE LYS 100 6.045 2.421 15.274 810 HE3 LYS 100 3HE LYS 100 4.569 3.375 15.410 811 HZ1 LYS 100 3HZ LYS 100 6.094 3.787 17.241 812 HZ2 LYS 100 1HZ LYS 100 6.041 2.158 17.682 813 HZ3 LYS 100 2HZ LYS 100 4.649 3.106 17.798 814 H SER 101 H SER 101 3.328 -2.896 12.511 815 HA SER 101 HA SER 101 1.079 -4.470 13.613 816 HB2 SER 101 2HB SER 101 0.186 -4.553 11.314 817 HB3 SER 101 3HB SER 101 0.384 -2.888 11.865 818 HG SER 101 HG SER 101 1.858 -2.563 10.383 819 H GLY 102 H GLY 102 3.442 -4.662 10.939 820 HA2 GLY 102 2HA GLY 102 4.935 -6.500 10.581 821 HA3 GLY 102 3HA GLY 102 3.886 -7.510 11.563 822 H VAL 103 H VAL 103 2.461 -5.426 9.193 823 HA VAL 103 HA VAL 103 1.250 -7.636 7.821 824 HB VAL 103 HB VAL 103 1.204 -4.687 7.124 825 HG11 VAL 103 1HG1 VAL 103 -0.813 -5.225 5.841 826 HG12 VAL 103 2HG1 VAL 103 -0.607 -6.935 6.221 827 HG13 VAL 103 3HG1 VAL 103 0.588 -6.101 5.227 828 HG21 VAL 103 3HG2 VAL 103 0.330 -5.111 9.369 829 HG22 VAL 103 1HG2 VAL 103 -0.760 -6.337 8.725 830 HG23 VAL 103 2HG2 VAL 103 -0.967 -4.645 8.266 831 H VAL 104 H VAL 104 1.916 -8.660 6.036 832 HA VAL 104 HA VAL 104 4.056 -7.464 4.380 833 HB VAL 104 HB VAL 104 3.316 -10.391 4.703 834 HG11 VAL 104 1HG1 VAL 104 5.589 -9.129 3.160 835 HG12 VAL 104 2HG1 VAL 104 4.169 -9.903 2.459 836 HG13 VAL 104 3HG1 VAL 104 5.326 -10.859 3.384 837 HG21 VAL 104 3HG2 VAL 104 5.478 -10.597 5.854 838 HG22 VAL 104 1HG2 VAL 104 4.391 -9.495 6.701 839 HG23 VAL 104 2HG2 VAL 104 5.712 -8.854 5.723 840 H LEU 105 H LEU 105 3.826 -7.433 2.126 841 HA LEU 105 HA LEU 105 1.051 -7.513 1.208 842 HB2 LEU 105 2HB LEU 105 3.515 -6.445 -0.178 843 HB3 LEU 105 3HB LEU 105 1.861 -6.247 -0.724 844 HG LEU 105 HG LEU 105 3.091 -5.049 1.764 845 HD11 LEU 105 1HD1 LEU 105 2.101 -3.785 -0.795 846 HD12 LEU 105 2HD1 LEU 105 3.777 -3.910 -0.259 847 HD13 LEU 105 3HD1 LEU 105 2.638 -2.906 0.637 848 HD21 LEU 105 3HD2 LEU 105 0.782 -5.660 2.217 849 HD22 LEU 105 1HD2 LEU 105 0.252 -4.840 0.746 850 HD23 LEU 105 2HD2 LEU 105 0.937 -3.910 2.081 851 H LEU 106 H LEU 106 0.250 -9.112 0.001 852 HA LEU 106 HA LEU 106 1.939 -10.439 -1.983 853 HB2 LEU 106 2HB LEU 106 1.018 -12.668 -1.397 854 HB3 LEU 106 3HB LEU 106 2.082 -11.998 -0.179 855 HG LEU 106 HG LEU 106 -0.921 -11.812 0.058 856 HD11 LEU 106 1HD1 LEU 106 -0.307 -14.177 -0.162 857 HD12 LEU 106 2HD1 LEU 106 -0.868 -13.792 1.465 858 HD13 LEU 106 3HD1 LEU 106 0.856 -13.993 1.152 859 HD21 LEU 106 3HD2 LEU 106 -0.426 -11.571 2.448 860 HD22 LEU 106 1HD2 LEU 106 0.362 -10.312 1.499 861 HD23 LEU 106 2HD2 LEU 106 1.300 -11.679 2.104 862 H ASN 107 H ASN 107 0.696 -11.596 -3.639 863 HA ASN 107 HA ASN 107 -0.712 -11.304 -5.392 864 HB2 ASN 107 2HB ASN 107 -3.089 -11.990 -4.880 865 HB3 ASN 107 3HB ASN 107 -1.835 -13.112 -4.382 866 HD21 ASN 107 1HD2 ASN 107 -4.135 -10.730 -3.253 867 HD22 ASN 107 2HD2 ASN 107 -4.186 -11.286 -1.626 868 HA PRO 108 HA PRO 108 -1.986 -6.923 -4.816 869 HB2 PRO 108 2HB PRO 108 -1.007 -6.076 -7.208 870 HB3 PRO 108 3HB PRO 108 -0.004 -6.214 -5.760 871 HG2 PRO 108 2HG PRO 108 -0.272 -8.112 -8.065 872 HG3 PRO 108 3HG PRO 108 1.195 -7.580 -7.220 873 HD2 PRO 108 2HD PRO 108 -0.001 -9.969 -6.722 874 HD3 PRO 108 3HD PRO 108 0.876 -9.060 -5.476 875 H ILE 109 H ILE 109 -4.068 -6.462 -5.257 876 HA ILE 109 HA ILE 109 -5.536 -7.910 -7.259 877 HB ILE 109 HB ILE 109 -6.397 -5.610 -5.487 878 HG12 ILE 109 2HG1 ILE 109 -5.781 -7.607 -4.217 879 HG13 ILE 109 3HG1 ILE 109 -7.527 -7.384 -4.176 880 HG21 ILE 109 1HG2 ILE 109 -8.082 -7.447 -7.200 881 HG22 ILE 109 2HG2 ILE 109 -7.810 -5.726 -7.472 882 HG23 ILE 109 3HG2 ILE 109 -8.701 -6.261 -6.049 883 HD11 ILE 109 3HD1 ILE 109 -6.969 -9.712 -4.473 884 HD12 ILE 109 1HD1 ILE 109 -6.019 -9.330 -5.910 885 HD13 ILE 109 2HD1 ILE 109 -7.768 -9.095 -5.919 886 HA PRO 110 HA PRO 110 -4.512 -4.914 -10.458 887 HB2 PRO 110 2HB PRO 110 -6.197 -6.584 -12.198 888 HB3 PRO 110 3HB PRO 110 -4.471 -6.236 -12.314 889 HG2 PRO 110 2HG PRO 110 -5.384 -8.667 -11.603 890 HG3 PRO 110 3HG PRO 110 -3.886 -7.992 -10.930 891 HD2 PRO 110 2HD PRO 110 -6.630 -8.106 -9.704 892 HD3 PRO 110 3HD PRO 110 -5.051 -8.457 -8.962 893 H LYS 111 H LYS 111 -5.661 -3.529 -11.998 894 HA LYS 111 HA LYS 111 -8.480 -3.083 -11.253 895 HB2 LYS 111 2HB LYS 111 -7.910 -0.615 -11.965 896 HB3 LYS 111 3HB LYS 111 -7.553 -1.191 -10.348 897 HG2 LYS 111 2HG LYS 111 -5.739 0.168 -11.240 898 HG3 LYS 111 3HG LYS 111 -5.211 -1.483 -10.931 899 HD2 LYS 111 2HD LYS 111 -5.255 -2.004 -13.276 900 HD3 LYS 111 3HD LYS 111 -6.034 -0.468 -13.656 901 HE2 LYS 111 2HE LYS 111 -4.085 0.759 -13.260 902 HE3 LYS 111 3HE LYS 111 -3.342 -0.531 -12.319 903 HZ1 LYS 111 3HZ LYS 111 -3.849 -0.628 -15.245 904 HZ2 LYS 111 1HZ LYS 111 -3.065 -1.816 -14.332 905 HZ3 LYS 111 2HZ LYS 111 -2.358 -0.292 -14.535 906 H ASP 112 H ASP 112 -9.962 -2.612 -12.836 907 HA ASP 112 HA ASP 112 -9.253 -3.164 -15.588 908 HB2 ASP 112 2HB ASP 112 -11.860 -2.359 -14.271 909 HB3 ASP 112 3HB ASP 112 -11.701 -2.660 -15.999 910 H LYS 113 H LYS 113 -9.041 -1.705 -17.242 911 HA LYS 113 HA LYS 113 -8.816 1.098 -16.616 912 HB2 LYS 113 2HB LYS 113 -8.788 -0.256 -19.330 913 HB3 LYS 113 3HB LYS 113 -8.254 1.382 -18.981 914 HG2 LYS 113 2HG LYS 113 -6.980 -1.160 -17.968 915 HG3 LYS 113 3HG LYS 113 -6.355 -0.113 -19.239 916 HD2 LYS 113 2HD LYS 113 -6.776 0.727 -16.364 917 HD3 LYS 113 3HD LYS 113 -5.232 0.219 -17.048 918 HE2 LYS 113 2HE LYS 113 -6.864 2.598 -17.949 919 HE3 LYS 113 3HE LYS 113 -5.414 2.666 -16.947 920 HZ1 LYS 113 3HZ LYS 113 -5.630 1.862 -19.789 921 HZ2 LYS 113 1HZ LYS 113 -4.257 1.529 -18.856 922 HZ3 LYS 113 2HZ LYS 113 -4.727 3.128 -19.126 923 H LYS 114 H LYS 114 -11.114 1.034 -15.761 924 HA LYS 114 HA LYS 114 -13.056 1.560 -17.923 925 HB2 LYS 114 2HB LYS 114 -13.397 -0.621 -16.659 926 HB3 LYS 114 3HB LYS 114 -13.747 0.350 -15.235 927 HG2 LYS 114 2HG LYS 114 -15.674 1.316 -16.289 928 HG3 LYS 114 3HG LYS 114 -15.274 0.547 -17.823 929 HD2 LYS 114 2HD LYS 114 -17.038 -0.721 -16.850 930 HD3 LYS 114 3HD LYS 114 -15.569 -1.678 -16.681 931 HE2 LYS 114 2HE LYS 114 -16.518 0.106 -14.456 932 HE3 LYS 114 3HE LYS 114 -17.188 -1.507 -14.672 933 HZ1 LYS 114 3HZ LYS 114 -14.985 -2.437 -14.426 934 HZ2 LYS 114 1HZ LYS 114 -15.366 -1.484 -13.086 935 HZ3 LYS 114 2HZ LYS 114 -14.309 -0.894 -14.265 936 H TRP 115 H TRP 115 -14.971 2.894 -17.117 937 HA TRP 115 HA TRP 115 -13.876 5.369 -16.247 938 HB2 TRP 115 2HB TRP 115 -16.784 4.631 -16.663 939 HB3 TRP 115 3HB TRP 115 -16.114 6.259 -16.613 940 HD1 TRP 115 HD1 TRP 115 -16.664 3.339 -18.941 941 HE1 TRP 115 HE1 TRP 115 -15.861 3.964 -21.306 942 HE3 TRP 115 HE3 TRP 115 -14.264 7.718 -17.853 943 HZ2 TRP 115 HZ2 TRP 115 -14.412 6.039 -22.545 944 HZ3 TRP 115 HZ3 TRP 115 -13.194 8.963 -19.685 945 HH2 TRP 115 HH2 TRP 115 -13.267 8.137 -21.984 946 H ILE 116 H ILE 116 -13.107 4.689 -14.095 947 HA ILE 116 HA ILE 116 -15.203 4.563 -12.033 948 HB ILE 116 HB ILE 116 -12.206 4.237 -11.719 949 HG12 ILE 116 2HG1 ILE 116 -13.202 2.423 -13.050 950 HG13 ILE 116 3HG1 ILE 116 -12.683 1.834 -11.476 951 HG21 ILE 116 1HG2 ILE 116 -14.443 3.727 -9.748 952 HG22 ILE 116 2HG2 ILE 116 -13.260 5.033 -9.669 953 HG23 ILE 116 3HG2 ILE 116 -12.737 3.360 -9.486 954 HD11 ILE 116 3HD1 ILE 116 -14.818 0.881 -12.110 955 HD12 ILE 116 1HD1 ILE 116 -15.512 2.493 -12.276 956 HD13 ILE 116 2HD1 ILE 116 -14.998 1.911 -10.690 Start of MODEL 16 1 H1 MET 1 1H MET 1 -5.459 -23.151 -29.489 2 H2 MET 1 2H MET 1 -5.152 -22.424 -30.985 3 H3 MET 1 3H MET 1 -6.074 -21.609 -29.826 4 HA MET 1 HA MET 1 -4.148 -21.531 -28.344 5 HB2 MET 1 2HB MET 1 -3.004 -23.505 -29.251 6 HB3 MET 1 3HB MET 1 -2.728 -22.666 -30.769 7 HG2 MET 1 2HG MET 1 -1.324 -21.024 -29.570 8 HG3 MET 1 3HG MET 1 -1.557 -21.950 -28.089 9 HE1 MET 1 3HE MET 1 0.008 -21.920 -31.693 10 HE2 MET 1 1HE MET 1 -1.089 -23.301 -31.762 11 HE3 MET 1 2HE MET 1 0.656 -23.553 -31.812 12 H GLY 2 H GLY 2 -3.429 -19.454 -28.199 13 HA2 GLY 2 2HA GLY 2 -2.275 -17.553 -29.062 14 HA3 GLY 2 3HA GLY 2 -2.792 -17.992 -30.678 15 H HIS 3 H HIS 3 -4.234 -17.020 -27.545 16 HA HIS 3 HA HIS 3 -5.764 -14.966 -28.992 17 HB2 HIS 3 2HB HIS 3 -6.918 -17.008 -27.096 18 HB3 HIS 3 3HB HIS 3 -7.721 -15.472 -27.402 19 HD1 HIS 3 HD1 HIS 3 -8.114 -18.758 -28.396 20 HD2 HIS 3 HD2 HIS 3 -7.767 -15.216 -30.540 21 HE1 HIS 3 HE1 HIS 3 -9.143 -19.221 -30.632 22 HE2 HIS 3 HE2 HIS 3 -9.020 -17.042 -31.873 23 H HIS 4 H HIS 4 -5.437 -16.108 -25.599 24 HA HIS 4 HA HIS 4 -5.644 -13.508 -24.512 25 HB2 HIS 4 2HB HIS 4 -6.117 -15.566 -23.226 26 HB3 HIS 4 3HB HIS 4 -4.405 -15.972 -23.253 27 HD1 HIS 4 HD1 HIS 4 -6.264 -12.772 -22.289 28 HD2 HIS 4 HD2 HIS 4 -3.427 -15.418 -20.800 29 HE1 HIS 4 HE1 HIS 4 -5.582 -11.845 -20.065 30 HE2 HIS 4 HE2 HIS 4 -4.077 -13.597 -19.084 31 H HIS 5 H HIS 5 -4.214 -11.908 -24.387 32 HA HIS 5 HA HIS 5 -1.444 -12.390 -25.202 33 HB2 HIS 5 2HB HIS 5 -3.002 -9.819 -24.848 34 HB3 HIS 5 3HB HIS 5 -1.331 -9.910 -25.400 35 HD1 HIS 5 HD1 HIS 5 -4.736 -9.867 -26.629 36 HD2 HIS 5 HD2 HIS 5 -1.104 -11.404 -27.942 37 HE1 HIS 5 HE1 HIS 5 -5.043 -10.322 -29.072 38 HE2 HIS 5 HE2 HIS 5 -2.776 -11.044 -29.880 39 H HIS 6 H HIS 6 0.299 -11.189 -24.105 40 HA HIS 6 HA HIS 6 -0.129 -10.453 -21.323 41 HB2 HIS 6 2HB HIS 6 0.228 -12.885 -21.187 42 HB3 HIS 6 3HB HIS 6 1.729 -12.727 -22.090 43 HD1 HIS 6 HD1 HIS 6 3.690 -11.409 -20.842 44 HD2 HIS 6 HD2 HIS 6 0.471 -12.541 -18.469 45 HE1 HIS 6 HE1 HIS 6 4.507 -11.233 -18.478 46 HE2 HIS 6 HE2 HIS 6 2.590 -12.051 -17.068 47 H HIS 7 H HIS 7 0.546 -8.382 -22.020 48 HA HIS 7 HA HIS 7 3.318 -8.124 -22.967 49 HB2 HIS 7 2HB HIS 7 1.503 -6.900 -24.166 50 HB3 HIS 7 3HB HIS 7 1.184 -5.987 -22.695 51 HD1 HIS 7 HD1 HIS 7 2.606 -3.939 -22.292 52 HD2 HIS 7 HD2 HIS 7 4.091 -6.352 -25.340 53 HE1 HIS 7 HE1 HIS 7 4.485 -2.637 -23.336 54 HE2 HIS 7 HE2 HIS 7 5.284 -4.061 -25.249 55 H HIS 8 H HIS 8 4.931 -7.311 -21.687 56 HA HIS 8 HA HIS 8 4.197 -6.065 -19.127 57 HB2 HIS 8 2HB HIS 8 4.606 -8.518 -18.798 58 HB3 HIS 8 3HB HIS 8 6.255 -8.271 -19.359 59 HD1 HIS 8 HD1 HIS 8 4.063 -7.885 -16.407 60 HD2 HIS 8 HD2 HIS 8 7.918 -6.816 -17.539 61 HE1 HIS 8 HE1 HIS 8 5.224 -7.194 -14.285 62 HE2 HIS 8 HE2 HIS 8 7.592 -6.697 -14.979 63 H SER 9 H SER 9 5.083 -4.098 -19.225 64 HA SER 9 HA SER 9 7.738 -3.686 -20.383 65 HB2 SER 9 2HB SER 9 5.779 -1.727 -19.136 66 HB3 SER 9 3HB SER 9 7.331 -1.278 -19.842 67 HG SER 9 HG SER 9 6.461 -1.371 -21.747 68 H HIS 10 H HIS 10 9.446 -2.629 -19.143 69 HA HIS 10 HA HIS 10 9.789 -3.883 -16.586 70 HB2 HIS 10 2HB HIS 10 11.517 -1.906 -18.091 71 HB3 HIS 10 3HB HIS 10 11.985 -2.657 -16.569 72 HD1 HIS 10 HD1 HIS 10 13.042 -4.931 -16.698 73 HD2 HIS 10 HD2 HIS 10 11.248 -3.821 -20.277 74 HE1 HIS 10 HE1 HIS 10 13.703 -6.694 -18.356 75 HE2 HIS 10 HE2 HIS 10 12.507 -6.071 -20.480 76 H MET 11 H MET 11 9.741 -0.425 -17.544 77 HA MET 11 HA MET 11 8.948 0.221 -14.771 78 HB2 MET 11 2HB MET 11 10.319 1.966 -16.830 79 HB3 MET 11 3HB MET 11 9.800 2.509 -15.241 80 HG2 MET 11 2HG MET 11 11.329 0.896 -14.199 81 HG3 MET 11 3HG MET 11 11.867 0.388 -15.800 82 HE1 MET 11 3HE MET 11 10.986 4.053 -14.601 83 HE2 MET 11 1HE MET 11 12.571 4.626 -14.089 84 HE3 MET 11 2HE MET 11 11.769 3.339 -13.193 85 H LYS 12 H LYS 12 6.749 0.265 -14.773 86 HA LYS 12 HA LYS 12 5.364 1.834 -16.829 87 HB2 LYS 12 2HB LYS 12 4.388 -0.117 -14.754 88 HB3 LYS 12 3HB LYS 12 3.278 1.000 -15.536 89 HG2 LYS 12 2HG LYS 12 4.407 -0.013 -17.725 90 HG3 LYS 12 3HG LYS 12 4.675 -1.378 -16.636 91 HD2 LYS 12 2HD LYS 12 2.007 -0.052 -17.182 92 HD3 LYS 12 3HD LYS 12 2.555 -1.578 -17.890 93 HE2 LYS 12 2HE LYS 12 2.675 -2.570 -15.637 94 HE3 LYS 12 3HE LYS 12 2.117 -1.048 -14.941 95 HZ1 LYS 12 3HZ LYS 12 0.590 -2.815 -16.776 96 HZ2 LYS 12 1HZ LYS 12 0.055 -1.304 -16.238 97 HZ3 LYS 12 2HZ LYS 12 0.285 -2.564 -15.129 98 HA PRO 13 HA PRO 13 4.751 5.404 -14.233 99 HB2 PRO 13 2HB PRO 13 2.249 6.167 -15.076 100 HB3 PRO 13 3HB PRO 13 3.719 6.445 -16.015 101 HG2 PRO 13 2HG PRO 13 1.713 4.231 -16.267 102 HG3 PRO 13 3HG PRO 13 2.445 5.202 -17.547 103 HD2 PRO 13 2HD PRO 13 3.336 2.748 -17.026 104 HD3 PRO 13 3HD PRO 13 4.466 4.056 -17.444 105 H LEU 14 H LEU 14 3.439 6.193 -12.436 106 HA LEU 14 HA LEU 14 2.694 4.201 -10.639 107 HB2 LEU 14 2HB LEU 14 3.371 6.479 -9.992 108 HB3 LEU 14 3HB LEU 14 1.860 7.106 -10.616 109 HG LEU 14 HG LEU 14 0.636 5.765 -8.900 110 HD11 LEU 14 1HD1 LEU 14 3.398 5.178 -7.840 111 HD12 LEU 14 2HD1 LEU 14 2.291 4.010 -8.561 112 HD13 LEU 14 3HD1 LEU 14 1.875 4.794 -7.036 113 HD21 LEU 14 3HD2 LEU 14 2.711 7.667 -7.810 114 HD22 LEU 14 1HD2 LEU 14 1.212 7.196 -7.008 115 HD23 LEU 14 2HD2 LEU 14 1.155 8.117 -8.511 116 H ALA 15 H ALA 15 0.627 6.144 -12.783 117 HA ALA 15 HA ALA 15 -1.859 5.186 -11.813 118 HB1 ALA 15 3HB ALA 15 -1.660 7.218 -13.165 119 HB2 ALA 15 1HB ALA 15 -2.813 6.086 -13.870 120 HB3 ALA 15 2HB ALA 15 -1.199 6.246 -14.562 121 H GLU 16 H GLU 16 0.476 3.801 -13.993 122 HA GLU 16 HA GLU 16 -1.367 1.757 -14.934 123 HB2 GLU 16 2HB GLU 16 1.315 2.669 -15.701 124 HB3 GLU 16 3HB GLU 16 1.120 0.928 -15.767 125 HG2 GLU 16 2HG GLU 16 -0.599 2.965 -17.173 126 HG3 GLU 16 3HG GLU 16 0.615 1.919 -17.914 127 H GLN 17 H GLN 17 1.052 2.120 -12.459 128 HA GLN 17 HA GLN 17 1.636 -0.510 -11.814 129 HB2 GLN 17 2HB GLN 17 1.122 1.833 -9.961 130 HB3 GLN 17 3HB GLN 17 1.832 0.308 -9.452 131 HG2 GLN 17 2HG GLN 17 3.015 2.147 -11.525 132 HG3 GLN 17 3HG GLN 17 3.500 2.086 -9.832 133 HE21 GLN 17 1HE2 GLN 17 5.056 1.556 -12.264 134 HE22 GLN 17 2HE2 GLN 17 5.677 -0.044 -12.072 135 H ASP 18 H ASP 18 0.191 -2.104 -11.752 136 HA ASP 18 HA ASP 18 -2.552 -1.721 -11.636 137 HB2 ASP 18 2HB ASP 18 -0.932 -4.241 -11.265 138 HB3 ASP 18 3HB ASP 18 -2.670 -4.205 -11.555 139 H TRP 19 H TRP 19 -0.365 -2.297 -8.981 140 HA TRP 19 HA TRP 19 -2.378 -3.003 -7.073 141 HB2 TRP 19 2HB TRP 19 -0.530 -2.347 -5.401 142 HB3 TRP 19 3HB TRP 19 -0.205 -3.690 -6.489 143 HD1 TRP 19 HD1 TRP 19 1.737 -3.401 -8.258 144 HE1 TRP 19 HE1 TRP 19 3.566 -1.623 -8.591 145 HE3 TRP 19 HE3 TRP 19 -0.058 0.218 -5.119 146 HZ2 TRP 19 HZ2 TRP 19 4.164 0.956 -7.652 147 HZ3 TRP 19 HZ3 TRP 19 1.212 2.315 -4.892 148 HH2 TRP 19 HH2 TRP 19 3.284 2.673 -6.133 149 H TYR 20 H TYR 20 -1.364 -0.008 -8.444 150 HA TYR 20 HA TYR 20 -2.588 1.620 -6.350 151 HB2 TYR 20 2HB TYR 20 -0.588 2.542 -7.342 152 HB3 TYR 20 3HB TYR 20 -1.226 2.327 -8.968 153 HD1 TYR 20 HD2 TYR 20 -1.671 4.266 -5.821 154 HD2 TYR 20 HD1 TYR 20 -2.546 4.015 -9.984 155 HE1 TYR 20 HE2 TYR 20 -2.593 6.544 -5.766 156 HE2 TYR 20 HE1 TYR 20 -3.468 6.291 -9.934 157 HH TYR 20 HH TYR 20 -2.995 8.430 -7.386 158 H HIS 21 H HIS 21 -4.727 2.069 -6.359 159 HA HIS 21 HA HIS 21 -6.212 1.519 -8.845 160 HB2 HIS 21 2HB HIS 21 -7.110 1.414 -5.964 161 HB3 HIS 21 3HB HIS 21 -8.209 1.262 -7.332 162 HD1 HIS 21 HD1 HIS 21 -8.861 -1.145 -7.282 163 HD2 HIS 21 HD2 HIS 21 -4.761 -0.619 -6.877 164 HE1 HIS 21 HE1 HIS 21 -7.882 -3.450 -7.292 165 HE2 HIS 21 HE2 HIS 21 -5.395 -3.087 -7.271 166 H GLY 22 H GLY 22 -5.352 3.845 -9.296 167 HA2 GLY 22 2HA GLY 22 -6.012 5.984 -9.868 168 HA3 GLY 22 3HA GLY 22 -7.494 5.135 -10.237 169 H ALA 23 H ALA 23 -6.096 6.014 -7.074 170 HA ALA 23 HA ALA 23 -6.847 7.340 -5.379 171 HB1 ALA 23 3HB ALA 23 -7.786 9.499 -5.995 172 HB2 ALA 23 1HB ALA 23 -8.111 8.905 -7.622 173 HB3 ALA 23 2HB ALA 23 -6.448 9.072 -7.060 174 H ILE 24 H ILE 24 -8.665 5.084 -6.249 175 HA ILE 24 HA ILE 24 -11.364 5.860 -6.093 176 HB ILE 24 HB ILE 24 -11.901 3.547 -5.573 177 HG12 ILE 24 2HG1 ILE 24 -8.921 3.113 -5.176 178 HG13 ILE 24 3HG1 ILE 24 -10.114 3.169 -3.881 179 HG21 ILE 24 1HG2 ILE 24 -11.306 4.097 -7.877 180 HG22 ILE 24 2HG2 ILE 24 -10.828 2.449 -7.477 181 HG23 ILE 24 3HG2 ILE 24 -9.613 3.729 -7.537 182 HD11 ILE 24 3HD1 ILE 24 -10.004 1.138 -6.100 183 HD12 ILE 24 1HD1 ILE 24 -11.215 1.199 -4.818 184 HD13 ILE 24 2HD1 ILE 24 -9.526 0.889 -4.421 185 HA PRO 25 HA PRO 25 -12.189 6.732 -1.793 186 HB2 PRO 25 2HB PRO 25 -14.635 5.065 -1.978 187 HB3 PRO 25 3HB PRO 25 -14.471 6.789 -1.618 188 HG2 PRO 25 2HG PRO 25 -15.436 5.956 -3.972 189 HG3 PRO 25 3HG PRO 25 -14.391 7.385 -3.860 190 HD2 PRO 25 2HD PRO 25 -13.695 4.591 -4.719 191 HD3 PRO 25 3HD PRO 25 -13.203 6.145 -5.431 192 H ARG 26 H ARG 26 -12.374 5.786 0.322 193 HA ARG 26 HA ARG 26 -10.885 3.472 0.787 194 HB2 ARG 26 2HB ARG 26 -11.208 5.202 2.480 195 HB3 ARG 26 3HB ARG 26 -12.922 4.831 2.571 196 HG2 ARG 26 2HG ARG 26 -12.301 2.541 3.385 197 HG3 ARG 26 3HG ARG 26 -10.626 3.093 3.462 198 HD2 ARG 26 2HD ARG 26 -11.240 4.817 5.068 199 HD3 ARG 26 3HD ARG 26 -12.940 4.371 4.938 200 HE ARG 26 HE ARG 26 -10.937 3.098 6.533 201 HH11 ARG 26 1HH1 ARG 26 -13.936 2.618 4.899 202 HH12 ARG 26 2HH1 ARG 26 -14.344 1.221 5.825 203 HH21 ARG 26 1HH2 ARG 26 -11.507 1.352 7.769 204 HH22 ARG 26 2HH2 ARG 26 -12.994 0.524 7.459 205 H ILE 27 H ILE 27 -14.392 3.884 0.532 206 HA ILE 27 HA ILE 27 -15.256 1.367 1.364 207 HB ILE 27 HB ILE 27 -16.451 3.039 -0.864 208 HG12 ILE 27 2HG1 ILE 27 -17.044 3.083 2.113 209 HG13 ILE 27 3HG1 ILE 27 -16.156 4.323 1.234 210 HG21 ILE 27 1HG2 ILE 27 -18.562 1.914 -0.273 211 HG22 ILE 27 2HG2 ILE 27 -17.696 0.914 0.892 212 HG23 ILE 27 3HG2 ILE 27 -17.340 0.770 -0.830 213 HD11 ILE 27 3HD1 ILE 27 -19.044 3.582 0.834 214 HD12 ILE 27 1HD1 ILE 27 -18.159 4.793 -0.098 215 HD13 ILE 27 2HD1 ILE 27 -18.428 5.029 1.629 216 H GLU 28 H GLU 28 -14.692 2.396 -2.017 217 HA GLU 28 HA GLU 28 -14.952 -0.134 -3.188 218 HB2 GLU 28 2HB GLU 28 -13.366 2.278 -4.106 219 HB3 GLU 28 3HB GLU 28 -13.715 0.878 -5.112 220 HG2 GLU 28 2HG GLU 28 -15.908 2.480 -3.824 221 HG3 GLU 28 3HG GLU 28 -15.202 2.945 -5.373 222 H ALA 29 H ALA 29 -12.212 1.389 -1.631 223 HA ALA 29 HA ALA 29 -10.199 -0.410 -2.524 224 HB1 ALA 29 3HB ALA 29 -9.687 1.805 -1.625 225 HB2 ALA 29 1HB ALA 29 -8.833 0.542 -0.739 226 HB3 ALA 29 2HB ALA 29 -10.262 1.301 -0.036 227 H GLN 30 H GLN 30 -12.406 -0.468 0.264 228 HA GLN 30 HA GLN 30 -11.090 -2.815 1.382 229 HB2 GLN 30 2HB GLN 30 -12.865 -2.715 3.122 230 HB3 GLN 30 3HB GLN 30 -11.935 -1.230 2.977 231 HG2 GLN 30 2HG GLN 30 -13.705 -0.069 2.000 232 HG3 GLN 30 3HG GLN 30 -14.558 -1.547 1.557 233 HE21 GLN 30 1HE2 GLN 30 -15.855 -2.536 3.043 234 HE22 GLN 30 2HE2 GLN 30 -16.257 -1.825 4.565 235 H GLU 31 H GLU 31 -13.987 -2.106 -0.483 236 HA GLU 31 HA GLU 31 -15.334 -4.544 0.057 237 HB2 GLU 31 2HB GLU 31 -15.692 -2.561 -2.197 238 HB3 GLU 31 3HB GLU 31 -16.790 -3.894 -1.862 239 HG2 GLU 31 2HG GLU 31 -16.151 -1.670 0.072 240 HG3 GLU 31 3HG GLU 31 -17.565 -1.712 -0.977 241 H LEU 32 H LEU 32 -12.663 -3.929 -1.977 242 HA LEU 32 HA LEU 32 -13.185 -6.317 -3.599 243 HB2 LEU 32 2HB LEU 32 -11.305 -5.668 -4.944 244 HB3 LEU 32 3HB LEU 32 -12.350 -4.284 -4.706 245 HG LEU 32 HG LEU 32 -10.649 -3.701 -2.772 246 HD11 LEU 32 1HD1 LEU 32 -8.340 -4.328 -3.396 247 HD12 LEU 32 2HD1 LEU 32 -8.988 -5.449 -4.589 248 HD13 LEU 32 3HD1 LEU 32 -9.308 -5.701 -2.873 249 HD21 LEU 32 3HD2 LEU 32 -10.015 -3.298 -5.700 250 HD22 LEU 32 1HD2 LEU 32 -9.377 -2.344 -4.360 251 HD23 LEU 32 2HD2 LEU 32 -11.101 -2.308 -4.724 252 H LEU 33 H LEU 33 -11.774 -5.566 -0.671 253 HA LEU 33 HA LEU 33 -9.575 -7.448 -0.766 254 HB2 LEU 33 2HB LEU 33 -10.751 -5.862 1.525 255 HB3 LEU 33 3HB LEU 33 -9.292 -6.825 1.619 256 HG LEU 33 HG LEU 33 -9.680 -4.383 -0.118 257 HD11 LEU 33 1HD1 LEU 33 -8.017 -4.776 2.365 258 HD12 LEU 33 2HD1 LEU 33 -9.496 -3.823 2.239 259 HD13 LEU 33 3HD1 LEU 33 -8.053 -3.327 1.358 260 HD21 LEU 33 3HD2 LEU 33 -7.235 -6.110 0.290 261 HD22 LEU 33 1HD2 LEU 33 -7.291 -4.599 -0.618 262 HD23 LEU 33 2HD2 LEU 33 -8.198 -5.999 -1.184 263 H LYS 34 H LYS 34 -9.917 -9.571 -0.618 264 HA LYS 34 HA LYS 34 -12.316 -10.547 0.820 265 HB2 LYS 34 2HB LYS 34 -12.385 -12.376 -0.837 266 HB3 LYS 34 3HB LYS 34 -12.494 -10.792 -1.602 267 HG2 LYS 34 2HG LYS 34 -9.958 -10.984 -1.930 268 HG3 LYS 34 3HG LYS 34 -10.170 -12.694 -1.557 269 HD2 LYS 34 2HD LYS 34 -11.648 -12.968 -3.446 270 HD3 LYS 34 3HD LYS 34 -11.624 -11.229 -3.765 271 HE2 LYS 34 2HE LYS 34 -9.296 -13.146 -3.971 272 HE3 LYS 34 3HE LYS 34 -10.125 -12.339 -5.303 273 HZ1 LYS 34 3HZ LYS 34 -9.345 -10.218 -4.489 274 HZ2 LYS 34 1HZ LYS 34 -8.027 -11.253 -4.712 275 HZ3 LYS 34 2HZ LYS 34 -8.604 -10.950 -3.152 276 H LYS 35 H LYS 35 -8.914 -11.309 0.048 277 HA LYS 35 HA LYS 35 -8.934 -13.307 2.236 278 HB2 LYS 35 2HB LYS 35 -7.154 -14.518 1.041 279 HB3 LYS 35 3HB LYS 35 -8.626 -14.417 0.085 280 HG2 LYS 35 2HG LYS 35 -7.704 -12.858 -1.398 281 HG3 LYS 35 3HG LYS 35 -6.392 -12.444 -0.296 282 HD2 LYS 35 2HD LYS 35 -6.719 -15.120 -1.672 283 HD3 LYS 35 3HD LYS 35 -5.648 -13.828 -2.216 284 HE2 LYS 35 2HE LYS 35 -4.472 -13.950 -0.026 285 HE3 LYS 35 3HE LYS 35 -5.487 -15.324 0.405 286 HZ1 LYS 35 3HZ LYS 35 -4.587 -16.490 -1.556 287 HZ2 LYS 35 1HZ LYS 35 -3.400 -16.108 -0.413 288 HZ3 LYS 35 2HZ LYS 35 -3.534 -15.192 -1.826 289 H GLN 36 H GLN 36 -7.027 -13.489 3.529 290 HA GLN 36 HA GLN 36 -5.790 -11.040 4.171 291 HB2 GLN 36 2HB GLN 36 -6.036 -12.794 5.838 292 HB3 GLN 36 3HB GLN 36 -4.971 -13.854 4.924 293 HG2 GLN 36 2HG GLN 36 -3.072 -12.542 5.399 294 HG3 GLN 36 3HG GLN 36 -4.047 -11.186 5.955 295 HE21 GLN 36 1HE2 GLN 36 -2.976 -11.091 7.934 296 HE22 GLN 36 2HE2 GLN 36 -3.205 -12.286 9.163 297 H GLY 37 H GLY 37 -4.645 -10.035 2.669 298 HA2 GLY 37 2HA GLY 37 -2.087 -10.325 2.030 299 HA3 GLY 37 3HA GLY 37 -2.802 -11.506 0.944 300 H ASP 38 H ASP 38 -5.165 -10.123 0.278 301 HA ASP 38 HA ASP 38 -4.417 -8.660 -1.942 302 HB2 ASP 38 2HB ASP 38 -6.962 -8.354 -0.328 303 HB3 ASP 38 3HB ASP 38 -6.732 -7.774 -1.972 304 H PHE 39 H PHE 39 -3.417 -6.742 -2.150 305 HA PHE 39 HA PHE 39 -4.093 -4.586 -0.265 306 HB2 PHE 39 2HB PHE 39 -1.772 -3.894 -0.083 307 HB3 PHE 39 3HB PHE 39 -1.936 -5.566 0.434 308 HD1 PHE 39 HD1 PHE 39 -1.111 -7.401 -1.040 309 HD2 PHE 39 HD2 PHE 39 -0.397 -3.296 -1.932 310 HE1 PHE 39 HE1 PHE 39 0.692 -8.053 -2.580 311 HE2 PHE 39 HE2 PHE 39 1.404 -3.947 -3.475 312 HZ PHE 39 HZ PHE 39 1.951 -6.324 -3.803 313 H LEU 40 H LEU 40 -4.066 -2.509 -1.061 314 HA LEU 40 HA LEU 40 -3.117 -1.993 -3.769 315 HB2 LEU 40 2HB LEU 40 -5.175 -1.028 -4.561 316 HB3 LEU 40 3HB LEU 40 -5.471 -2.687 -4.082 317 HG LEU 40 HG LEU 40 -6.076 -0.428 -2.186 318 HD11 LEU 40 1HD1 LEU 40 -8.368 -0.380 -3.029 319 HD12 LEU 40 2HD1 LEU 40 -7.915 -1.474 -4.336 320 HD13 LEU 40 3HD1 LEU 40 -7.216 0.144 -4.257 321 HD21 LEU 40 3HD2 LEU 40 -6.109 -2.680 -1.275 322 HD22 LEU 40 1HD2 LEU 40 -7.217 -3.198 -2.544 323 HD23 LEU 40 2HD2 LEU 40 -7.743 -2.023 -1.339 324 H VAL 41 H VAL 41 -2.638 0.186 -4.154 325 HA VAL 41 HA VAL 41 -2.834 1.977 -1.821 326 HB VAL 41 HB VAL 41 -1.048 2.184 -4.262 327 HG11 VAL 41 1HG1 VAL 41 -1.185 3.936 -1.800 328 HG12 VAL 41 2HG1 VAL 41 -1.628 4.402 -3.444 329 HG13 VAL 41 3HG1 VAL 41 0.050 4.032 -3.055 330 HG21 VAL 41 3HG2 VAL 41 0.778 1.689 -2.708 331 HG22 VAL 41 1HG2 VAL 41 -0.400 0.376 -2.737 332 HG23 VAL 41 2HG2 VAL 41 -0.382 1.512 -1.389 333 H ARG 42 H ARG 42 -4.236 3.614 -1.864 334 HA ARG 42 HA ARG 42 -5.257 4.554 -4.478 335 HB2 ARG 42 2HB ARG 42 -7.382 5.042 -3.444 336 HB3 ARG 42 3HB ARG 42 -6.966 3.372 -3.082 337 HG2 ARG 42 2HG ARG 42 -6.286 3.982 -0.837 338 HG3 ARG 42 3HG ARG 42 -6.544 5.689 -1.191 339 HD2 ARG 42 2HD ARG 42 -8.980 4.924 -1.743 340 HD3 ARG 42 3HD ARG 42 -8.558 3.513 -0.781 341 HE ARG 42 HE ARG 42 -8.304 4.920 1.114 342 HH11 ARG 42 1HH1 ARG 42 -9.512 6.553 -1.672 343 HH12 ARG 42 2HH1 ARG 42 -10.060 7.923 -0.768 344 HH21 ARG 42 1HH2 ARG 42 -9.029 6.685 2.268 345 HH22 ARG 42 2HH2 ARG 42 -9.807 7.987 1.444 346 H GLU 43 H GLU 43 -5.283 6.756 -4.861 347 HA GLU 43 HA GLU 43 -3.945 8.474 -2.922 348 HB2 GLU 43 2HB GLU 43 -3.508 8.562 -5.424 349 HB3 GLU 43 3HB GLU 43 -5.098 9.291 -5.598 350 HG2 GLU 43 2HG GLU 43 -4.416 11.174 -4.225 351 HG3 GLU 43 3HG GLU 43 -2.839 10.434 -3.956 352 H SER 44 H SER 44 -4.892 10.173 -1.799 353 HA SER 44 HA SER 44 -7.700 9.861 -1.241 354 HB2 SER 44 2HB SER 44 -6.196 10.306 0.608 355 HB3 SER 44 3HB SER 44 -5.653 11.808 -0.140 356 HG SER 44 HG SER 44 -7.472 11.713 1.588 357 H HIS 45 H HIS 45 -9.371 10.986 -2.057 358 HA HIS 45 HA HIS 45 -9.029 13.193 -3.857 359 HB2 HIS 45 2HB HIS 45 -11.521 12.208 -2.435 360 HB3 HIS 45 3HB HIS 45 -11.507 13.415 -3.714 361 HD1 HIS 45 HD1 HIS 45 -12.473 10.149 -3.371 362 HD2 HIS 45 HD2 HIS 45 -9.913 11.998 -6.071 363 HE1 HIS 45 HE1 HIS 45 -12.435 8.659 -5.380 364 HE2 HIS 45 HE2 HIS 45 -10.764 9.708 -6.932 365 H GLY 46 H GLY 46 -9.746 12.844 -0.436 366 HA2 GLY 46 2HA GLY 46 -10.412 15.552 0.110 367 HA3 GLY 46 3HA GLY 46 -9.909 14.352 1.288 368 H LYS 47 H LYS 47 -7.338 13.817 0.061 369 HA LYS 47 HA LYS 47 -5.989 16.430 0.265 370 HB2 LYS 47 2HB LYS 47 -5.691 15.182 2.373 371 HB3 LYS 47 3HB LYS 47 -4.998 13.839 1.475 372 HG2 LYS 47 2HG LYS 47 -3.251 15.167 2.515 373 HG3 LYS 47 3HG LYS 47 -3.138 15.258 0.758 374 HD2 LYS 47 2HD LYS 47 -4.320 17.445 0.832 375 HD3 LYS 47 3HD LYS 47 -4.322 17.355 2.595 376 HE2 LYS 47 2HE LYS 47 -1.863 17.317 2.583 377 HE3 LYS 47 3HE LYS 47 -1.874 17.422 0.823 378 HZ1 LYS 47 3HZ LYS 47 -1.490 19.576 1.826 379 HZ2 LYS 47 1HZ LYS 47 -2.941 19.471 2.689 380 HZ3 LYS 47 2HZ LYS 47 -2.965 19.574 1.002 381 HA PRO 48 HA PRO 48 -4.833 14.680 -3.842 382 HB2 PRO 48 2HB PRO 48 -3.880 17.497 -4.091 383 HB3 PRO 48 3HB PRO 48 -4.841 16.528 -5.215 384 HG2 PRO 48 2HG PRO 48 -5.991 18.446 -3.767 385 HG3 PRO 48 3HG PRO 48 -6.822 16.903 -4.052 386 HD2 PRO 48 2HD PRO 48 -5.392 17.860 -1.593 387 HD3 PRO 48 3HD PRO 48 -6.907 16.941 -1.733 388 H GLY 49 H GLY 49 -3.101 13.377 -3.365 389 HA2 GLY 49 2HA GLY 49 -0.640 13.379 -3.809 390 HA3 GLY 49 3HA GLY 49 -0.540 14.707 -2.667 391 H GLU 50 H GLU 50 -2.728 13.060 -1.111 392 HA GLU 50 HA GLU 50 -0.790 11.564 0.476 393 HB2 GLU 50 2HB GLU 50 -2.361 13.040 1.641 394 HB3 GLU 50 3HB GLU 50 -3.719 12.142 0.977 395 HG2 GLU 50 2HG GLU 50 -3.093 10.175 2.229 396 HG3 GLU 50 3HG GLU 50 -1.633 10.969 2.813 397 H TYR 51 H TYR 51 -0.409 9.494 0.059 398 HA TYR 51 HA TYR 51 -2.459 7.868 -1.286 399 HB2 TYR 51 2HB TYR 51 0.527 7.428 -0.991 400 HB3 TYR 51 3HB TYR 51 -0.573 6.336 -1.829 401 HD1 TYR 51 HD2 TYR 51 0.919 9.726 -1.906 402 HD2 TYR 51 HD1 TYR 51 -1.276 6.783 -4.065 403 HE1 TYR 51 HE2 TYR 51 1.210 11.028 -3.968 404 HE2 TYR 51 HE1 TYR 51 -0.986 8.081 -6.133 405 HH TYR 51 HH TYR 51 -0.571 10.493 -6.742 406 H VAL 52 H VAL 52 -3.285 6.038 -0.380 407 HA VAL 52 HA VAL 52 -2.261 5.228 2.269 408 HB VAL 52 HB VAL 52 -5.178 5.331 1.458 409 HG11 VAL 52 1HG1 VAL 52 -3.900 4.613 4.105 410 HG12 VAL 52 2HG1 VAL 52 -4.713 3.500 3.007 411 HG13 VAL 52 3HG1 VAL 52 -5.633 4.770 3.810 412 HG21 VAL 52 3HG2 VAL 52 -5.374 7.135 3.121 413 HG22 VAL 52 1HG2 VAL 52 -4.283 7.571 1.807 414 HG23 VAL 52 2HG2 VAL 52 -3.631 7.086 3.373 415 H LEU 53 H LEU 53 -1.780 3.143 2.465 416 HA LEU 53 HA LEU 53 -2.437 1.254 0.355 417 HB2 LEU 53 2HB LEU 53 -0.169 1.287 1.235 418 HB3 LEU 53 3HB LEU 53 -0.760 0.996 2.859 419 HG LEU 53 HG LEU 53 -1.572 -1.246 2.125 420 HD11 LEU 53 1HD1 LEU 53 -0.816 -2.170 0.001 421 HD12 LEU 53 2HD1 LEU 53 -0.096 -0.621 -0.436 422 HD13 LEU 53 3HD1 LEU 53 -1.846 -0.765 -0.261 423 HD21 LEU 53 3HD2 LEU 53 1.369 -0.717 1.684 424 HD22 LEU 53 1HD2 LEU 53 0.641 -2.292 2.007 425 HD23 LEU 53 2HD2 LEU 53 0.581 -1.027 3.232 426 H SER 54 H SER 54 -4.289 0.168 0.429 427 HA SER 54 HA SER 54 -5.499 -0.544 3.023 428 HB2 SER 54 2HB SER 54 -6.924 0.719 1.408 429 HB3 SER 54 3HB SER 54 -6.751 -0.605 0.257 430 HG SER 54 HG SER 54 -8.284 -1.605 1.269 431 H VAL 55 H VAL 55 -5.195 -2.585 3.716 432 HA VAL 55 HA VAL 55 -4.928 -4.751 1.737 433 HB VAL 55 HB VAL 55 -2.649 -4.133 2.291 434 HG11 VAL 55 1HG1 VAL 55 -1.780 -4.278 4.580 435 HG12 VAL 55 2HG1 VAL 55 -3.411 -4.583 5.177 436 HG13 VAL 55 3HG1 VAL 55 -3.022 -3.036 4.422 437 HG21 VAL 55 3HG2 VAL 55 -1.806 -6.283 3.108 438 HG22 VAL 55 1HG2 VAL 55 -3.119 -6.515 1.954 439 HG23 VAL 55 2HG2 VAL 55 -3.419 -6.709 3.680 440 H TYR 56 H TYR 56 -5.709 -6.749 2.364 441 HA TYR 56 HA TYR 56 -7.376 -6.787 4.753 442 HB2 TYR 56 2HB TYR 56 -8.068 -7.686 2.461 443 HB3 TYR 56 3HB TYR 56 -7.003 -9.045 2.779 444 HD1 TYR 56 HD1 TYR 56 -10.157 -7.413 3.681 445 HD2 TYR 56 HD2 TYR 56 -7.597 -10.720 4.475 446 HE1 TYR 56 HE1 TYR 56 -11.986 -8.536 4.873 447 HE2 TYR 56 HE2 TYR 56 -9.422 -11.854 5.671 448 HH TYR 56 HH TYR 56 -11.486 -11.431 6.726 449 H SER 57 H SER 57 -6.449 -7.322 6.642 450 HA SER 57 HA SER 57 -4.850 -9.760 6.810 451 HB2 SER 57 2HB SER 57 -3.157 -7.996 6.540 452 HB3 SER 57 3HB SER 57 -3.834 -7.123 7.914 453 HG SER 57 HG SER 57 -2.975 -8.541 9.269 454 H ASP 58 H ASP 58 -5.006 -10.822 8.756 455 HA ASP 58 HA ASP 58 -5.781 -11.418 10.812 456 HB2 ASP 58 2HB ASP 58 -6.335 -8.476 11.286 457 HB3 ASP 58 3HB ASP 58 -6.181 -9.730 12.509 458 H GLY 59 H GLY 59 -7.619 -10.771 8.389 459 HA2 GLY 59 2HA GLY 59 -9.892 -11.090 7.986 460 HA3 GLY 59 3HA GLY 59 -10.160 -11.182 9.721 461 H GLN 60 H GLN 60 -8.344 -8.486 8.914 462 HA GLN 60 HA GLN 60 -10.708 -6.710 8.978 463 HB2 GLN 60 2HB GLN 60 -7.957 -6.101 10.094 464 HB3 GLN 60 3HB GLN 60 -9.424 -5.156 10.303 465 HG2 GLN 60 2HG GLN 60 -10.387 -6.868 11.704 466 HG3 GLN 60 3HG GLN 60 -9.023 -7.939 11.390 467 HE21 GLN 60 1HE2 GLN 60 -8.477 -8.098 13.551 468 HE22 GLN 60 2HE2 GLN 60 -7.758 -6.795 14.426 469 H ARG 61 H ARG 61 -10.376 -4.580 7.927 470 HA ARG 61 HA ARG 61 -8.444 -4.683 5.719 471 HB2 ARG 61 2HB ARG 61 -10.860 -2.974 6.260 472 HB3 ARG 61 3HB ARG 61 -9.649 -2.457 5.099 473 HG2 ARG 61 2HG ARG 61 -11.332 -3.521 3.853 474 HG3 ARG 61 3HG ARG 61 -9.990 -4.657 3.921 475 HD2 ARG 61 2HD ARG 61 -11.139 -5.878 5.730 476 HD3 ARG 61 3HD ARG 61 -12.494 -4.749 5.615 477 HE ARG 61 HE ARG 61 -11.673 -6.615 3.478 478 HH11 ARG 61 1HH1 ARG 61 -14.094 -4.767 5.078 479 HH12 ARG 61 2HH1 ARG 61 -15.364 -5.335 4.053 480 HH21 ARG 61 1HH2 ARG 61 -13.306 -7.343 2.164 481 HH22 ARG 61 2HH2 ARG 61 -14.922 -6.779 2.423 482 H ARG 62 H ARG 62 -6.467 -4.100 6.403 483 HA ARG 62 HA ARG 62 -6.022 -2.025 8.361 484 HB2 ARG 62 2HB ARG 62 -4.050 -3.503 6.600 485 HB3 ARG 62 3HB ARG 62 -3.633 -2.481 7.967 486 HG2 ARG 62 2HG ARG 62 -5.257 -5.018 8.163 487 HG3 ARG 62 3HG ARG 62 -3.519 -4.911 8.450 488 HD2 ARG 62 2HD ARG 62 -4.029 -3.194 10.226 489 HD3 ARG 62 3HD ARG 62 -5.735 -3.602 10.024 490 HE ARG 62 HE ARG 62 -4.541 -6.005 10.475 491 HH11 ARG 62 1HH1 ARG 62 -4.558 -3.009 12.175 492 HH12 ARG 62 2HH1 ARG 62 -4.328 -3.754 13.712 493 HH21 ARG 62 1HH2 ARG 62 -4.212 -6.943 12.435 494 HH22 ARG 62 2HH2 ARG 62 -4.120 -5.961 13.859 495 H HIS 63 H HIS 63 -5.182 0.041 7.998 496 HA HIS 63 HA HIS 63 -4.738 0.847 5.190 497 HB2 HIS 63 2HB HIS 63 -6.238 2.443 7.285 498 HB3 HIS 63 3HB HIS 63 -5.808 3.030 5.680 499 HD1 HIS 63 HD1 HIS 63 -6.937 1.638 3.644 500 HD2 HIS 63 HD2 HIS 63 -8.638 1.144 7.398 501 HE1 HIS 63 HE1 HIS 63 -9.207 0.664 3.223 502 HE2 HIS 63 HE2 HIS 63 -10.136 0.203 5.515 503 H PHE 64 H PHE 64 -2.719 1.510 4.941 504 HA PHE 64 HA PHE 64 -1.333 2.852 7.184 505 HB2 PHE 64 2HB PHE 64 -0.082 1.433 4.813 506 HB3 PHE 64 3HB PHE 64 0.757 2.067 6.225 507 HD1 PHE 64 HD2 PHE 64 0.119 1.041 8.513 508 HD2 PHE 64 HD1 PHE 64 -0.769 -0.787 4.769 509 HE1 PHE 64 HE2 PHE 64 -0.127 -1.133 9.632 510 HE2 PHE 64 HE1 PHE 64 -1.017 -2.964 5.889 511 HZ PHE 64 HZ PHE 64 -0.698 -3.136 8.325 512 H ILE 65 H ILE 65 -0.931 4.979 6.918 513 HA ILE 65 HA ILE 65 -1.404 6.210 4.324 514 HB ILE 65 HB ILE 65 -0.744 7.479 6.994 515 HG12 ILE 65 2HG1 ILE 65 -3.390 7.203 5.529 516 HG13 ILE 65 3HG1 ILE 65 -2.924 6.313 6.973 517 HG21 ILE 65 1HG2 ILE 65 -0.068 8.928 5.158 518 HG22 ILE 65 2HG2 ILE 65 -1.500 9.585 5.951 519 HG23 ILE 65 3HG2 ILE 65 -1.656 8.750 4.405 520 HD11 ILE 65 3HD1 ILE 65 -2.831 8.429 8.222 521 HD12 ILE 65 1HD1 ILE 65 -4.425 8.116 7.535 522 HD13 ILE 65 2HD1 ILE 65 -3.351 9.287 6.772 523 H ILE 66 H ILE 66 0.104 7.103 3.011 524 HA ILE 66 HA ILE 66 2.926 6.677 3.645 525 HB ILE 66 HB ILE 66 1.613 7.571 1.063 526 HG12 ILE 66 2HG1 ILE 66 2.733 4.877 1.903 527 HG13 ILE 66 3HG1 ILE 66 1.034 5.262 1.652 528 HG21 ILE 66 1HG2 ILE 66 4.481 6.779 1.612 529 HG22 ILE 66 2HG2 ILE 66 3.902 8.403 1.235 530 HG23 ILE 66 3HG2 ILE 66 3.798 7.125 0.022 531 HD11 ILE 66 3HD1 ILE 66 1.493 5.663 -0.724 532 HD12 ILE 66 1HD1 ILE 66 1.917 4.027 -0.222 533 HD13 ILE 66 2HD1 ILE 66 3.181 5.231 -0.455 534 H GLN 67 H GLN 67 4.117 8.287 4.488 535 HA GLN 67 HA GLN 67 3.234 11.070 4.171 536 HB2 GLN 67 2HB GLN 67 5.442 9.955 5.924 537 HB3 GLN 67 3HB GLN 67 4.875 11.617 5.917 538 HG2 GLN 67 2HG GLN 67 3.868 10.670 7.790 539 HG3 GLN 67 3HG GLN 67 2.593 10.661 6.571 540 HE21 GLN 67 1HE2 GLN 67 1.472 8.977 7.521 541 HE22 GLN 67 2HE2 GLN 67 2.057 7.351 7.502 542 H TYR 68 H TYR 68 4.447 12.648 3.195 543 HA TYR 68 HA TYR 68 6.667 11.766 1.499 544 HB2 TYR 68 2HB TYR 68 4.821 12.997 0.439 545 HB3 TYR 68 3HB TYR 68 5.087 14.355 1.523 546 HD1 TYR 68 HD1 TYR 68 7.151 12.256 -0.805 547 HD2 TYR 68 HD2 TYR 68 6.154 16.165 0.565 548 HE1 TYR 68 HE1 TYR 68 8.707 13.224 -2.444 549 HE2 TYR 68 HE2 TYR 68 7.713 17.139 -1.063 550 HH TYR 68 HH TYR 68 9.560 16.593 -2.403 551 H VAL 69 H VAL 69 8.515 11.745 2.683 552 HA VAL 69 HA VAL 69 9.336 14.252 4.021 553 HB VAL 69 HB VAL 69 9.761 11.467 5.146 554 HG11 VAL 69 1HG1 VAL 69 10.675 12.645 7.115 555 HG12 VAL 69 2HG1 VAL 69 10.539 14.173 6.245 556 HG13 VAL 69 3HG1 VAL 69 11.634 12.920 5.662 557 HG21 VAL 69 3HG2 VAL 69 7.445 12.172 5.414 558 HG22 VAL 69 1HG2 VAL 69 7.972 13.701 6.120 559 HG23 VAL 69 2HG2 VAL 69 8.273 12.186 6.973 560 H ASP 70 H ASP 70 11.440 14.858 3.691 561 HA ASP 70 HA ASP 70 13.476 14.984 2.685 562 HB2 ASP 70 2HB ASP 70 13.447 12.056 3.449 563 HB3 ASP 70 3HB ASP 70 14.865 12.851 2.770 564 H ASN 71 H ASN 71 11.310 14.746 0.919 565 HA ASN 71 HA ASN 71 10.801 14.446 -1.269 566 HB2 ASN 71 2HB ASN 71 13.770 13.910 -1.550 567 HB3 ASN 71 3HB ASN 71 12.664 14.239 -2.881 568 HD21 ASN 71 1HD2 ASN 71 14.411 15.582 -0.215 569 HD22 ASN 71 2HD2 ASN 71 14.099 17.240 -0.581 570 H MET 72 H MET 72 11.073 12.056 0.653 571 HA MET 72 HA MET 72 10.799 9.973 -1.421 572 HB2 MET 72 2HB MET 72 12.054 9.656 1.318 573 HB3 MET 72 3HB MET 72 11.739 8.340 0.195 574 HG2 MET 72 2HG MET 72 13.257 9.417 -1.434 575 HG3 MET 72 3HG MET 72 13.627 10.648 -0.228 576 HE1 MET 72 3HE MET 72 15.404 8.538 2.557 577 HE2 MET 72 1HE MET 72 13.669 8.842 2.466 578 HE3 MET 72 2HE MET 72 14.812 10.131 2.083 579 H TYR 73 H TYR 73 9.390 8.189 -0.853 580 HA TYR 73 HA TYR 73 7.120 9.090 0.795 581 HB2 TYR 73 2HB TYR 73 7.223 6.905 -1.306 582 HB3 TYR 73 3HB TYR 73 5.776 7.530 -0.519 583 HD1 TYR 73 HD2 TYR 73 5.017 9.868 -1.006 584 HD2 TYR 73 HD1 TYR 73 8.202 8.042 -3.167 585 HE1 TYR 73 HE2 TYR 73 4.791 11.567 -2.767 586 HE2 TYR 73 HE1 TYR 73 7.985 9.739 -4.930 587 HH TYR 73 HH TYR 73 6.334 12.588 -4.559 588 H ARG 74 H ARG 74 6.521 8.015 2.620 589 HA ARG 74 HA ARG 74 7.815 5.433 3.246 590 HB2 ARG 74 2HB ARG 74 8.198 6.382 5.590 591 HB3 ARG 74 3HB ARG 74 9.250 6.969 4.309 592 HG2 ARG 74 2HG ARG 74 8.080 9.032 4.163 593 HG3 ARG 74 3HG ARG 74 6.784 8.447 5.205 594 HD2 ARG 74 2HD ARG 74 9.614 8.595 6.191 595 HD3 ARG 74 3HD ARG 74 8.574 10.018 6.201 596 HE ARG 74 HE ARG 74 7.034 8.262 7.477 597 HH11 ARG 74 1HH1 ARG 74 10.400 8.847 7.826 598 HH12 ARG 74 2HH1 ARG 74 10.381 8.597 9.536 599 HH21 ARG 74 1HH2 ARG 74 7.017 7.941 9.680 600 HH22 ARG 74 2HH2 ARG 74 8.494 8.084 10.568 601 H PHE 75 H PHE 75 6.851 4.241 4.997 602 HA PHE 75 HA PHE 75 4.039 4.918 5.573 603 HB2 PHE 75 2HB PHE 75 5.566 2.314 5.768 604 HB3 PHE 75 3HB PHE 75 3.957 2.519 6.442 605 HD1 PHE 75 HD1 PHE 75 2.131 3.364 4.767 606 HD2 PHE 75 HD2 PHE 75 5.794 1.522 3.601 607 HE1 PHE 75 HE1 PHE 75 1.124 2.727 2.619 608 HE2 PHE 75 HE2 PHE 75 4.788 0.891 1.443 609 HZ PHE 75 HZ PHE 75 2.451 1.491 0.954 610 H GLU 76 H GLU 76 6.771 3.383 7.295 611 HA GLU 76 HA GLU 76 5.857 4.669 9.795 612 HB2 GLU 76 2HB GLU 76 5.615 2.214 9.785 613 HB3 GLU 76 3HB GLU 76 7.330 2.044 9.441 614 HG2 GLU 76 2HG GLU 76 6.978 1.613 11.765 615 HG3 GLU 76 3HG GLU 76 7.825 3.150 11.612 616 H GLY 77 H GLY 77 8.771 3.642 7.999 617 HA2 GLY 77 2HA GLY 77 10.307 5.667 9.521 618 HA3 GLY 77 3HA GLY 77 10.957 4.063 9.227 619 H THR 78 H THR 78 12.271 3.857 7.524 620 HA THR 78 HA THR 78 13.070 6.079 6.001 621 HB THR 78 HB THR 78 13.589 3.146 5.440 622 HG1 THR 78 HG1 THR 78 14.866 3.306 7.104 623 HG21 THR 78 3HG2 THR 78 15.566 3.949 4.201 624 HG22 THR 78 1HG2 THR 78 15.031 5.613 4.442 625 HG23 THR 78 2HG2 THR 78 14.063 4.508 3.467 626 H GLY 79 H GLY 79 12.347 6.948 4.161 627 HA2 GLY 79 2HA GLY 79 10.233 5.583 2.655 628 HA3 GLY 79 3HA GLY 79 10.651 7.284 2.548 629 H PHE 80 H PHE 80 10.228 5.895 0.250 630 HA PHE 80 HA PHE 80 12.951 5.531 -0.846 631 HB2 PHE 80 2HB PHE 80 10.380 4.132 -1.602 632 HB3 PHE 80 3HB PHE 80 11.841 4.062 -2.584 633 HD1 PHE 80 HD1 PHE 80 10.470 3.253 0.765 634 HD2 PHE 80 HD2 PHE 80 13.580 2.567 -2.060 635 HE1 PHE 80 HE1 PHE 80 11.307 1.400 2.145 636 HE2 PHE 80 HE2 PHE 80 14.421 0.709 -0.685 637 HZ PHE 80 HZ PHE 80 13.283 0.123 1.420 638 H SER 81 H SER 81 13.343 6.227 -2.992 639 HA SER 81 HA SER 81 12.520 8.852 -3.462 640 HB2 SER 81 2HB SER 81 13.795 6.941 -5.439 641 HB3 SER 81 3HB SER 81 13.782 8.701 -5.559 642 HG SER 81 HG SER 81 15.736 7.697 -4.637 643 H ASN 82 H ASN 82 11.044 5.900 -4.505 644 HA ASN 82 HA ASN 82 8.959 7.454 -5.871 645 HB2 ASN 82 2HB ASN 82 10.316 5.003 -7.020 646 HB3 ASN 82 3HB ASN 82 8.777 5.622 -7.606 647 HD21 ASN 82 1HD2 ASN 82 12.193 6.080 -7.538 648 HD22 ASN 82 2HD2 ASN 82 12.234 7.365 -8.692 649 H ILE 83 H ILE 83 6.891 6.696 -5.607 650 HA ILE 83 HA ILE 83 6.215 5.068 -3.455 651 HB ILE 83 HB ILE 83 4.565 5.660 -5.926 652 HG12 ILE 83 2HG1 ILE 83 4.629 7.027 -3.218 653 HG13 ILE 83 3HG1 ILE 83 5.331 7.668 -4.701 654 HG21 ILE 83 1HG2 ILE 83 3.624 4.701 -3.216 655 HG22 ILE 83 2HG2 ILE 83 3.691 3.724 -4.685 656 HG23 ILE 83 3HG2 ILE 83 2.604 5.109 -4.599 657 HD11 ILE 83 3HD1 ILE 83 3.205 8.714 -4.214 658 HD12 ILE 83 1HD1 ILE 83 2.408 7.140 -4.210 659 HD13 ILE 83 2HD1 ILE 83 3.109 7.775 -5.703 660 HA PRO 84 HA PRO 84 5.560 1.386 -6.714 661 HB2 PRO 84 2HB PRO 84 7.475 1.585 -8.746 662 HB3 PRO 84 3HB PRO 84 5.747 1.904 -8.923 663 HG2 PRO 84 2HG PRO 84 7.991 3.824 -8.462 664 HG3 PRO 84 3HG PRO 84 6.571 3.989 -9.514 665 HD2 PRO 84 2HD PRO 84 6.665 5.256 -7.171 666 HD3 PRO 84 3HD PRO 84 5.154 4.499 -7.719 667 H GLN 85 H GLN 85 8.731 2.913 -6.180 668 HA GLN 85 HA GLN 85 10.112 0.416 -5.891 669 HB2 GLN 85 2HB GLN 85 10.902 3.248 -5.199 670 HB3 GLN 85 3HB GLN 85 11.972 1.865 -4.996 671 HG2 GLN 85 2HG GLN 85 10.746 2.757 -7.603 672 HG3 GLN 85 3HG GLN 85 12.398 3.085 -7.085 673 HE21 GLN 85 1HE2 GLN 85 10.183 0.656 -8.225 674 HE22 GLN 85 2HE2 GLN 85 11.369 -0.546 -8.585 675 H LEU 86 H LEU 86 8.576 2.664 -3.655 676 HA LEU 86 HA LEU 86 9.418 1.581 -1.217 677 HB2 LEU 86 2HB LEU 86 8.206 3.657 -1.311 678 HB3 LEU 86 3HB LEU 86 6.817 2.879 -2.041 679 HG LEU 86 HG LEU 86 6.380 1.676 0.068 680 HD11 LEU 86 1HD1 LEU 86 8.670 1.558 0.923 681 HD12 LEU 86 2HD1 LEU 86 7.578 2.273 2.107 682 HD13 LEU 86 3HD1 LEU 86 8.668 3.303 1.178 683 HD21 LEU 86 3HD2 LEU 86 6.638 4.671 0.370 684 HD22 LEU 86 1HD2 LEU 86 5.632 3.620 1.368 685 HD23 LEU 86 2HD2 LEU 86 5.279 3.807 -0.351 686 H ILE 87 H ILE 87 6.421 0.829 -3.022 687 HA ILE 87 HA ILE 87 5.663 -1.412 -1.489 688 HB ILE 87 HB ILE 87 5.022 -0.811 -4.390 689 HG12 ILE 87 2HG1 ILE 87 4.341 1.004 -2.881 690 HG13 ILE 87 3HG1 ILE 87 2.932 0.157 -3.510 691 HG21 ILE 87 1HG2 ILE 87 3.068 -2.272 -4.064 692 HG22 ILE 87 2HG2 ILE 87 3.646 -2.673 -2.445 693 HG23 ILE 87 3HG2 ILE 87 4.586 -3.147 -3.860 694 HD11 ILE 87 3HD1 ILE 87 2.723 -1.057 -1.399 695 HD12 ILE 87 1HD1 ILE 87 2.669 0.689 -1.160 696 HD13 ILE 87 2HD1 ILE 87 4.137 -0.206 -0.772 697 H ASP 88 H ASP 88 7.456 -1.196 -4.558 698 HA ASP 88 HA ASP 88 7.906 -3.854 -5.115 699 HB2 ASP 88 2HB ASP 88 8.574 -2.169 -6.676 700 HB3 ASP 88 3HB ASP 88 9.680 -1.441 -5.517 701 H HIS 89 H HIS 89 9.964 -1.758 -3.076 702 HA HIS 89 HA HIS 89 11.934 -3.688 -2.561 703 HB2 HIS 89 2HB HIS 89 12.072 -1.170 -2.175 704 HB3 HIS 89 3HB HIS 89 11.216 -1.449 -0.663 705 HD1 HIS 89 HD1 HIS 89 12.561 -2.468 1.282 706 HD2 HIS 89 HD2 HIS 89 14.724 -2.147 -2.254 707 HE1 HIS 89 HE1 HIS 89 14.948 -2.923 1.906 708 HE2 HIS 89 HE2 HIS 89 16.252 -2.480 -0.197 709 H HIS 90 H HIS 90 9.023 -2.814 -0.683 710 HA HIS 90 HA HIS 90 9.570 -4.696 1.409 711 HB2 HIS 90 2HB HIS 90 7.121 -3.110 0.659 712 HB3 HIS 90 3HB HIS 90 7.073 -4.309 1.948 713 HD1 HIS 90 HD1 HIS 90 7.701 -3.480 4.211 714 HD2 HIS 90 HD2 HIS 90 9.206 -1.041 1.196 715 HE1 HIS 90 HE1 HIS 90 8.776 -1.541 5.383 716 HE2 HIS 90 HE2 HIS 90 9.848 -0.193 3.555 717 H TYR 91 H TYR 91 7.715 -4.877 -1.590 718 HA TYR 91 HA TYR 91 6.462 -7.376 -1.024 719 HB2 TYR 91 2HB TYR 91 5.624 -5.760 -2.713 720 HB3 TYR 91 3HB TYR 91 7.025 -6.107 -3.719 721 HD1 TYR 91 HD1 TYR 91 3.910 -7.548 -2.316 722 HD2 TYR 91 HD2 TYR 91 7.076 -8.055 -5.124 723 HE1 TYR 91 HE1 TYR 91 2.673 -9.392 -3.370 724 HE2 TYR 91 HE2 TYR 91 5.839 -9.899 -6.186 725 HH TYR 91 HH TYR 91 4.088 -11.526 -5.599 726 H THR 92 H THR 92 9.329 -6.531 -2.976 727 HA THR 92 HA THR 92 10.020 -9.145 -3.763 728 HB THR 92 HB THR 92 12.322 -8.217 -4.151 729 HG1 THR 92 HG1 THR 92 11.546 -5.618 -3.708 730 HG21 THR 92 3HG2 THR 92 11.637 -6.619 -5.897 731 HG22 THR 92 1HG2 THR 92 10.023 -6.547 -5.195 732 HG23 THR 92 2HG2 THR 92 10.613 -8.052 -5.896 733 H THR 93 H THR 93 11.112 -7.222 -0.968 734 HA THR 93 HA THR 93 12.706 -9.355 0.124 735 HB THR 93 HB THR 93 12.866 -8.000 2.165 736 HG1 THR 93 HG1 THR 93 11.036 -6.227 0.872 737 HG21 THR 93 3HG2 THR 93 13.922 -6.002 1.209 738 HG22 THR 93 1HG2 THR 93 13.145 -6.327 -0.341 739 HG23 THR 93 2HG2 THR 93 14.352 -7.446 0.292 740 H LYS 94 H LYS 94 9.379 -8.636 0.101 741 HA LYS 94 HA LYS 94 7.535 -9.569 1.012 742 HB2 LYS 94 2HB LYS 94 8.915 -11.658 0.316 743 HB3 LYS 94 3HB LYS 94 9.220 -11.846 2.037 744 HG2 LYS 94 2HG LYS 94 7.372 -13.243 1.387 745 HG3 LYS 94 3HG LYS 94 6.786 -11.953 2.438 746 HD2 LYS 94 2HD LYS 94 5.980 -10.709 0.499 747 HD3 LYS 94 3HD LYS 94 6.632 -11.939 -0.584 748 HE2 LYS 94 2HE LYS 94 4.447 -12.363 1.462 749 HE3 LYS 94 3HE LYS 94 4.209 -12.185 -0.276 750 HZ1 LYS 94 3HZ LYS 94 4.173 -14.484 0.206 751 HZ2 LYS 94 1HZ LYS 94 5.583 -14.404 1.139 752 HZ3 LYS 94 2HZ LYS 94 5.660 -14.187 -0.534 753 H GLN 95 H GLN 95 9.231 -7.787 2.591 754 HA GLN 95 HA GLN 95 8.906 -8.705 5.342 755 HB2 GLN 95 2HB GLN 95 10.163 -6.238 4.137 756 HB3 GLN 95 3HB GLN 95 9.973 -6.454 5.873 757 HG2 GLN 95 2HG GLN 95 11.480 -8.344 4.073 758 HG3 GLN 95 3HG GLN 95 12.223 -7.056 5.023 759 HE21 GLN 95 1HE2 GLN 95 12.350 -7.283 7.266 760 HE22 GLN 95 2HE2 GLN 95 12.098 -8.800 8.049 761 H VAL 96 H VAL 96 7.985 -7.137 6.948 762 HA VAL 96 HA VAL 96 5.276 -6.616 6.250 763 HB VAL 96 HB VAL 96 4.994 -5.831 8.540 764 HG11 VAL 96 1HG1 VAL 96 5.013 -8.228 8.183 765 HG12 VAL 96 2HG1 VAL 96 5.756 -7.848 9.735 766 HG13 VAL 96 3HG1 VAL 96 6.767 -8.268 8.354 767 HG21 VAL 96 3HG2 VAL 96 6.895 -5.694 10.092 768 HG22 VAL 96 1HG2 VAL 96 7.044 -4.526 8.779 769 HG23 VAL 96 2HG2 VAL 96 8.007 -6.004 8.757 770 H ILE 97 H ILE 97 4.157 -4.548 6.723 771 HA ILE 97 HA ILE 97 5.525 -2.273 5.543 772 HB ILE 97 HB ILE 97 2.686 -2.567 6.552 773 HG12 ILE 97 2HG1 ILE 97 3.192 -3.984 4.601 774 HG13 ILE 97 3HG1 ILE 97 2.084 -2.686 4.170 775 HG21 ILE 97 1HG2 ILE 97 3.366 -0.239 6.643 776 HG22 ILE 97 2HG2 ILE 97 2.227 -0.482 5.319 777 HG23 ILE 97 3HG2 ILE 97 3.949 -0.318 4.981 778 HD11 ILE 97 3HD1 ILE 97 3.756 -3.029 2.443 779 HD12 ILE 97 1HD1 ILE 97 5.046 -2.739 3.610 780 HD13 ILE 97 2HD1 ILE 97 3.936 -1.436 3.180 781 H THR 98 H THR 98 3.506 -2.554 8.497 782 HA THR 98 HA THR 98 5.473 -0.862 9.922 783 HB THR 98 HB THR 98 3.680 0.077 11.283 784 HG1 THR 98 HG1 THR 98 1.456 -0.410 10.630 785 HG21 THR 98 3HG2 THR 98 4.216 1.244 9.183 786 HG22 THR 98 1HG2 THR 98 2.513 1.423 9.605 787 HG23 THR 98 2HG2 THR 98 2.993 0.290 8.344 788 H LYS 99 H LYS 99 6.090 -1.504 11.959 789 HA LYS 99 HA LYS 99 5.799 -4.228 12.684 790 HB2 LYS 99 2HB LYS 99 6.803 -1.871 14.299 791 HB3 LYS 99 3HB LYS 99 6.971 -3.552 14.784 792 HG2 LYS 99 2HG LYS 99 8.046 -2.738 12.125 793 HG3 LYS 99 3HG LYS 99 8.920 -2.240 13.570 794 HD2 LYS 99 2HD LYS 99 9.857 -4.310 12.771 795 HD3 LYS 99 3HD LYS 99 9.017 -4.619 14.288 796 HE2 LYS 99 2HE LYS 99 7.112 -5.533 13.065 797 HE3 LYS 99 3HE LYS 99 7.902 -5.159 11.531 798 HZ1 LYS 99 3HZ LYS 99 8.170 -7.486 12.131 799 HZ2 LYS 99 1HZ LYS 99 8.922 -7.049 13.582 800 HZ3 LYS 99 2HZ LYS 99 9.665 -6.700 12.106 801 H LYS 100 H LYS 100 3.966 -1.388 13.463 802 HA LYS 100 HA LYS 100 2.667 -2.221 15.805 803 HB2 LYS 100 2HB LYS 100 1.645 -0.450 13.577 804 HB3 LYS 100 3HB LYS 100 0.881 -0.611 15.148 805 HG2 LYS 100 2HG LYS 100 3.718 0.345 14.835 806 HG3 LYS 100 3HG LYS 100 2.338 1.435 14.757 807 HD2 LYS 100 2HD LYS 100 3.060 1.574 16.981 808 HD3 LYS 100 3HD LYS 100 1.675 0.484 17.047 809 HE2 LYS 100 2HE LYS 100 3.224 -1.437 17.063 810 HE3 LYS 100 3HE LYS 100 4.588 -0.323 17.034 811 HZ1 LYS 100 3HZ LYS 100 4.137 -1.100 19.266 812 HZ2 LYS 100 1HZ LYS 100 2.553 -0.516 19.188 813 HZ3 LYS 100 2HZ LYS 100 3.852 0.562 19.160 814 H SER 101 H SER 101 1.993 -3.007 12.422 815 HA SER 101 HA SER 101 -0.371 -4.567 13.297 816 HB2 SER 101 2HB SER 101 -0.899 -2.743 11.727 817 HB3 SER 101 3HB SER 101 0.212 -3.437 10.547 818 HG SER 101 HG SER 101 -1.563 -5.291 11.417 819 H GLY 102 H GLY 102 2.657 -4.739 11.550 820 HA2 GLY 102 2HA GLY 102 3.936 -6.560 10.957 821 HA3 GLY 102 3HA GLY 102 2.826 -7.555 11.879 822 H VAL 103 H VAL 103 1.790 -5.593 9.147 823 HA VAL 103 HA VAL 103 0.796 -7.982 7.821 824 HB VAL 103 HB VAL 103 0.513 -5.079 7.013 825 HG11 VAL 103 1HG1 VAL 103 -1.328 -5.877 5.588 826 HG12 VAL 103 2HG1 VAL 103 -0.948 -7.541 6.031 827 HG13 VAL 103 3HG1 VAL 103 0.218 -6.583 5.116 828 HG21 VAL 103 3HG2 VAL 103 -1.755 -5.248 7.942 829 HG22 VAL 103 1HG2 VAL 103 -0.519 -5.505 9.175 830 HG23 VAL 103 2HG2 VAL 103 -1.398 -6.882 8.507 831 H VAL 104 H VAL 104 1.624 -8.917 6.047 832 HA VAL 104 HA VAL 104 3.959 -7.699 4.718 833 HB VAL 104 HB VAL 104 2.995 -10.576 4.687 834 HG11 VAL 104 1HG1 VAL 104 5.530 -9.374 3.566 835 HG12 VAL 104 2HG1 VAL 104 4.183 -10.032 2.636 836 HG13 VAL 104 3HG1 VAL 104 5.159 -11.097 3.645 837 HG21 VAL 104 3HG2 VAL 104 4.949 -11.052 6.099 838 HG22 VAL 104 1HG2 VAL 104 3.833 -9.934 6.887 839 HG23 VAL 104 2HG2 VAL 104 5.323 -9.328 6.160 840 H LEU 105 H LEU 105 4.106 -7.844 2.365 841 HA LEU 105 HA LEU 105 1.504 -7.484 1.079 842 HB2 LEU 105 2HB LEU 105 4.292 -6.973 0.023 843 HB3 LEU 105 3HB LEU 105 2.798 -6.562 -0.800 844 HG LEU 105 HG LEU 105 3.803 -5.357 1.787 845 HD11 LEU 105 1HD1 LEU 105 3.490 -4.172 -0.974 846 HD12 LEU 105 2HD1 LEU 105 5.013 -4.573 -0.181 847 HD13 LEU 105 3HD1 LEU 105 3.988 -3.298 0.476 848 HD21 LEU 105 3HD2 LEU 105 1.365 -5.547 1.801 849 HD22 LEU 105 1HD2 LEU 105 1.285 -4.750 0.229 850 HD23 LEU 105 2HD2 LEU 105 1.867 -3.865 1.641 851 H LEU 106 H LEU 106 0.563 -9.198 0.148 852 HA LEU 106 HA LEU 106 2.146 -10.854 -1.676 853 HB2 LEU 106 2HB LEU 106 1.034 -12.931 -0.887 854 HB3 LEU 106 3HB LEU 106 2.136 -12.234 0.282 855 HG LEU 106 HG LEU 106 -0.842 -11.765 0.440 856 HD11 LEU 106 1HD1 LEU 106 -0.963 -13.588 2.069 857 HD12 LEU 106 2HD1 LEU 106 0.717 -14.008 1.732 858 HD13 LEU 106 3HD1 LEU 106 -0.504 -14.179 0.471 859 HD21 LEU 106 3HD2 LEU 106 -0.351 -11.339 2.808 860 HD22 LEU 106 1HD2 LEU 106 0.558 -10.257 1.753 861 HD23 LEU 106 2HD2 LEU 106 1.363 -11.634 2.505 862 H ASN 107 H ASN 107 0.835 -12.010 -3.259 863 HA ASN 107 HA ASN 107 -0.534 -11.684 -5.060 864 HB2 ASN 107 2HB ASN 107 -2.954 -12.257 -4.490 865 HB3 ASN 107 3HB ASN 107 -1.718 -13.428 -4.061 866 HD21 ASN 107 1HD2 ASN 107 -3.870 -10.965 -2.793 867 HD22 ASN 107 2HD2 ASN 107 -3.879 -11.561 -1.179 868 HA PRO 108 HA PRO 108 -1.629 -7.233 -4.581 869 HB2 PRO 108 2HB PRO 108 -0.640 -6.474 -6.999 870 HB3 PRO 108 3HB PRO 108 0.368 -6.643 -5.559 871 HG2 PRO 108 2HG PRO 108 -0.039 -8.578 -7.817 872 HG3 PRO 108 3HG PRO 108 1.473 -8.085 -7.027 873 HD2 PRO 108 2HD PRO 108 0.224 -10.406 -6.418 874 HD3 PRO 108 3HD PRO 108 1.124 -9.473 -5.204 875 H ILE 109 H ILE 109 -3.372 -6.117 -5.419 876 HA ILE 109 HA ILE 109 -5.098 -7.603 -7.271 877 HB ILE 109 HB ILE 109 -5.727 -5.258 -5.461 878 HG12 ILE 109 2HG1 ILE 109 -5.268 -7.315 -4.206 879 HG13 ILE 109 3HG1 ILE 109 -6.982 -6.923 -4.126 880 HG21 ILE 109 1HG2 ILE 109 -7.568 -6.929 -7.178 881 HG22 ILE 109 2HG2 ILE 109 -7.178 -5.224 -7.401 882 HG23 ILE 109 3HG2 ILE 109 -8.090 -5.742 -5.984 883 HD11 ILE 109 3HD1 ILE 109 -6.666 -9.291 -4.439 884 HD12 ILE 109 1HD1 ILE 109 -5.710 -9.003 -5.890 885 HD13 ILE 109 2HD1 ILE 109 -7.425 -8.590 -5.868 886 HA PRO 110 HA PRO 110 -4.077 -4.640 -10.531 887 HB2 PRO 110 2HB PRO 110 -6.019 -5.430 -12.296 888 HB3 PRO 110 3HB PRO 110 -4.490 -6.288 -12.072 889 HG2 PRO 110 2HG PRO 110 -7.187 -6.886 -10.894 890 HG3 PRO 110 3HG PRO 110 -6.007 -8.004 -11.607 891 HD2 PRO 110 2HD PRO 110 -6.264 -7.728 -8.942 892 HD3 PRO 110 3HD PRO 110 -4.681 -8.016 -9.698 893 H LYS 111 H LYS 111 -4.867 -2.647 -11.213 894 HA LYS 111 HA LYS 111 -6.807 -1.450 -9.563 895 HB2 LYS 111 2HB LYS 111 -6.406 0.590 -10.699 896 HB3 LYS 111 3HB LYS 111 -4.873 -0.253 -10.598 897 HG2 LYS 111 2HG LYS 111 -6.619 -0.088 -13.054 898 HG3 LYS 111 3HG LYS 111 -5.189 0.890 -12.739 899 HD2 LYS 111 2HD LYS 111 -3.886 -1.266 -12.611 900 HD3 LYS 111 3HD LYS 111 -5.326 -2.086 -13.210 901 HE2 LYS 111 2HE LYS 111 -3.874 -1.651 -15.075 902 HE3 LYS 111 3HE LYS 111 -5.267 -0.578 -15.201 903 HZ1 LYS 111 3HZ LYS 111 -3.218 0.601 -15.675 904 HZ2 LYS 111 1HZ LYS 111 -2.581 0.169 -14.168 905 HZ3 LYS 111 2HZ LYS 111 -3.914 1.205 -14.256 906 H ASP 112 H ASP 112 -8.887 -0.889 -9.808 907 HA ASP 112 HA ASP 112 -10.507 -2.410 -11.576 908 HB2 ASP 112 2HB ASP 112 -11.202 -0.078 -9.766 909 HB3 ASP 112 3HB ASP 112 -12.382 -1.107 -10.573 910 H LYS 113 H LYS 113 -12.003 -1.634 -13.172 911 HA LYS 113 HA LYS 113 -11.133 0.682 -14.709 912 HB2 LYS 113 2HB LYS 113 -13.461 -1.216 -15.167 913 HB3 LYS 113 3HB LYS 113 -12.926 0.022 -16.291 914 HG2 LYS 113 2HG LYS 113 -12.113 -2.031 -17.115 915 HG3 LYS 113 3HG LYS 113 -10.722 -1.200 -16.420 916 HD2 LYS 113 2HD LYS 113 -10.753 -2.596 -14.482 917 HD3 LYS 113 3HD LYS 113 -12.321 -3.279 -14.922 918 HE2 LYS 113 2HE LYS 113 -9.785 -3.623 -16.529 919 HE3 LYS 113 3HE LYS 113 -10.407 -4.802 -15.374 920 HZ1 LYS 113 3HZ LYS 113 -11.061 -5.399 -17.599 921 HZ2 LYS 113 1HZ LYS 113 -11.772 -3.884 -17.853 922 HZ3 LYS 113 2HZ LYS 113 -12.436 -4.949 -16.724 923 H LYS 114 H LYS 114 -12.579 0.637 -11.961 924 HA LYS 114 HA LYS 114 -15.051 2.085 -12.568 925 HB2 LYS 114 2HB LYS 114 -14.041 0.801 -10.024 926 HB3 LYS 114 3HB LYS 114 -15.574 1.648 -10.172 927 HG2 LYS 114 2HG LYS 114 -16.590 -0.097 -11.137 928 HG3 LYS 114 3HG LYS 114 -15.212 -0.457 -12.179 929 HD2 LYS 114 2HD LYS 114 -15.733 -2.285 -10.587 930 HD3 LYS 114 3HD LYS 114 -14.105 -1.640 -10.385 931 HE2 LYS 114 2HE LYS 114 -14.916 -0.270 -8.489 932 HE3 LYS 114 3HE LYS 114 -16.515 -0.993 -8.677 933 HZ1 LYS 114 3HZ LYS 114 -15.166 -2.050 -6.933 934 HZ2 LYS 114 1HZ LYS 114 -14.031 -2.516 -8.098 935 HZ3 LYS 114 2HZ LYS 114 -15.604 -3.139 -8.152 936 H TRP 115 H TRP 115 -14.400 4.199 -12.924 937 HA TRP 115 HA TRP 115 -13.333 5.632 -10.577 938 HB2 TRP 115 2HB TRP 115 -13.087 7.565 -12.072 939 HB3 TRP 115 3HB TRP 115 -12.261 6.163 -12.743 940 HD1 TRP 115 HD1 TRP 115 -13.667 4.859 -14.798 941 HE1 TRP 115 HE1 TRP 115 -15.129 5.898 -16.648 942 HE3 TRP 115 HE3 TRP 115 -14.574 9.420 -12.662 943 HZ2 TRP 115 HZ2 TRP 115 -16.471 8.324 -17.139 944 HZ3 TRP 115 HZ3 TRP 115 -15.952 11.043 -13.895 945 HH2 TRP 115 HH2 TRP 115 -16.882 10.506 -16.087 946 H ILE 116 H ILE 116 -16.070 4.403 -11.295 947 HA ILE 116 HA ILE 116 -17.834 6.734 -11.117 948 HB ILE 116 HB ILE 116 -19.638 5.018 -11.668 949 HG12 ILE 116 2HG1 ILE 116 -17.190 3.326 -12.291 950 HG13 ILE 116 3HG1 ILE 116 -18.390 2.988 -11.050 951 HG21 ILE 116 1HG2 ILE 116 -17.441 5.484 -13.692 952 HG22 ILE 116 2HG2 ILE 116 -18.748 6.602 -13.306 953 HG23 ILE 116 3HG2 ILE 116 -19.112 5.053 -14.063 954 HD11 ILE 116 3HD1 ILE 116 -18.876 3.001 -14.018 955 HD12 ILE 116 1HD1 ILE 116 -20.085 2.668 -12.777 956 HD13 ILE 116 2HD1 ILE 116 -18.713 1.579 -12.987 Start of MODEL 17 1 H1 MET 1 1H MET 1 -6.625 -17.484 -26.601 2 H2 MET 1 2H MET 1 -6.716 -18.338 -25.145 3 H3 MET 1 3H MET 1 -6.854 -19.161 -26.616 4 HA MET 1 HA MET 1 -4.690 -19.510 -25.643 5 HB2 MET 1 2HB MET 1 -5.068 -19.394 -28.132 6 HB3 MET 1 3HB MET 1 -4.520 -17.726 -28.083 7 HG2 MET 1 2HG MET 1 -2.818 -20.003 -27.114 8 HG3 MET 1 3HG MET 1 -2.833 -19.475 -28.794 9 HE1 MET 1 3HE MET 1 -1.837 -17.276 -29.679 10 HE2 MET 1 1HE MET 1 -1.365 -15.920 -28.656 11 HE3 MET 1 2HE MET 1 -3.057 -16.406 -28.750 12 H GLY 2 H GLY 2 -5.011 -16.052 -26.587 13 HA2 GLY 2 2HA GLY 2 -4.607 -14.238 -25.134 14 HA3 GLY 2 3HA GLY 2 -3.740 -15.314 -24.052 15 H HIS 3 H HIS 3 -1.759 -14.444 -23.830 16 HA HIS 3 HA HIS 3 -0.006 -14.239 -26.113 17 HB2 HIS 3 2HB HIS 3 -1.212 -12.056 -26.165 18 HB3 HIS 3 3HB HIS 3 -0.624 -11.721 -24.540 19 HD1 HIS 3 HD1 HIS 3 0.886 -12.546 -27.941 20 HD2 HIS 3 HD2 HIS 3 1.673 -10.270 -24.552 21 HE1 HIS 3 HE1 HIS 3 2.981 -11.269 -28.462 22 HE2 HIS 3 HE2 HIS 3 3.468 -9.930 -26.389 23 H HIS 4 H HIS 4 1.876 -15.052 -25.442 24 HA HIS 4 HA HIS 4 2.433 -15.251 -22.587 25 HB2 HIS 4 2HB HIS 4 2.583 -17.229 -24.110 26 HB3 HIS 4 3HB HIS 4 3.935 -16.455 -24.926 27 HD1 HIS 4 HD1 HIS 4 6.149 -17.191 -24.108 28 HD2 HIS 4 HD2 HIS 4 3.212 -17.600 -21.199 29 HE1 HIS 4 HE1 HIS 4 7.292 -18.257 -22.149 30 HE2 HIS 4 HE2 HIS 4 5.442 -18.705 -20.503 31 H HIS 5 H HIS 5 3.071 -13.084 -22.093 32 HA HIS 5 HA HIS 5 5.887 -12.576 -22.589 33 HB2 HIS 5 2HB HIS 5 4.770 -11.496 -24.527 34 HB3 HIS 5 3HB HIS 5 3.821 -10.513 -23.419 35 HD1 HIS 5 HD1 HIS 5 4.798 -8.288 -22.900 36 HD2 HIS 5 HD2 HIS 5 7.670 -10.969 -24.239 37 HE1 HIS 5 HE1 HIS 5 6.924 -6.967 -23.066 38 HE2 HIS 5 HE2 HIS 5 8.592 -8.565 -24.065 39 H HIS 6 H HIS 6 6.754 -11.984 -20.687 40 HA HIS 6 HA HIS 6 4.960 -11.012 -18.563 41 HB2 HIS 6 2HB HIS 6 7.766 -12.124 -18.321 42 HB3 HIS 6 3HB HIS 6 6.657 -11.782 -17.000 43 HD1 HIS 6 HD1 HIS 6 7.715 -14.413 -19.256 44 HD2 HIS 6 HD2 HIS 6 4.327 -13.563 -17.010 45 HE1 HIS 6 HE1 HIS 6 6.451 -16.571 -19.109 46 HE2 HIS 6 HE2 HIS 6 4.521 -16.078 -17.576 47 H HIS 7 H HIS 7 5.731 -9.419 -17.035 48 HA HIS 7 HA HIS 7 7.215 -7.207 -18.151 49 HB2 HIS 7 2HB HIS 7 6.111 -7.751 -15.382 50 HB3 HIS 7 3HB HIS 7 6.943 -6.263 -15.814 51 HD1 HIS 7 HD1 HIS 7 5.278 -4.489 -16.043 52 HD2 HIS 7 HD2 HIS 7 3.863 -8.081 -17.581 53 HE1 HIS 7 HE1 HIS 7 2.989 -3.985 -16.941 54 HE2 HIS 7 HE2 HIS 7 2.081 -6.207 -17.680 55 H HIS 8 H HIS 8 9.320 -6.484 -17.510 56 HA HIS 8 HA HIS 8 10.859 -7.740 -15.491 57 HB2 HIS 8 2HB HIS 8 12.493 -8.944 -16.988 58 HB3 HIS 8 3HB HIS 8 10.907 -9.697 -16.863 59 HD1 HIS 8 HD1 HIS 8 10.171 -10.563 -19.047 60 HD2 HIS 8 HD2 HIS 8 12.433 -7.107 -19.476 61 HE1 HIS 8 HE1 HIS 8 10.272 -10.130 -21.510 62 HE2 HIS 8 HE2 HIS 8 11.828 -8.175 -21.749 63 H SER 9 H SER 9 12.996 -6.956 -15.297 64 HA SER 9 HA SER 9 14.720 -5.501 -15.454 65 HB2 SER 9 2HB SER 9 15.155 -6.385 -17.638 66 HB3 SER 9 3HB SER 9 13.867 -5.416 -18.352 67 HG SER 9 HG SER 9 16.440 -4.765 -17.936 68 H HIS 10 H HIS 10 12.521 -3.881 -17.759 69 HA HIS 10 HA HIS 10 13.103 -1.332 -16.582 70 HB2 HIS 10 2HB HIS 10 12.686 -1.715 -19.024 71 HB3 HIS 10 3HB HIS 10 10.993 -2.014 -18.647 72 HD1 HIS 10 HD1 HIS 10 13.551 0.761 -18.230 73 HD2 HIS 10 HD2 HIS 10 9.458 0.236 -18.701 74 HE1 HIS 10 HE1 HIS 10 12.602 3.073 -18.453 75 HE2 HIS 10 HE2 HIS 10 10.157 2.717 -18.927 76 H MET 11 H MET 11 11.919 -0.132 -15.189 77 HA MET 11 HA MET 11 9.758 -1.442 -13.771 78 HB2 MET 11 2HB MET 11 11.498 -0.255 -12.512 79 HB3 MET 11 3HB MET 11 11.075 1.250 -13.316 80 HG2 MET 11 2HG MET 11 8.811 1.094 -12.296 81 HG3 MET 11 3HG MET 11 9.358 -0.326 -11.404 82 HE1 MET 11 3HE MET 11 11.435 2.935 -12.246 83 HE2 MET 11 1HE MET 11 11.092 3.917 -10.822 84 HE3 MET 11 2HE MET 11 9.800 3.531 -11.958 85 H LYS 12 H LYS 12 7.645 -0.930 -13.804 86 HA LYS 12 HA LYS 12 6.628 0.984 -15.736 87 HB2 LYS 12 2HB LYS 12 5.346 -0.986 -13.839 88 HB3 LYS 12 3HB LYS 12 4.382 0.204 -14.698 89 HG2 LYS 12 2HG LYS 12 6.201 -1.741 -16.105 90 HG3 LYS 12 3HG LYS 12 4.509 -2.087 -15.737 91 HD2 LYS 12 2HD LYS 12 3.878 -0.026 -16.992 92 HD3 LYS 12 3HD LYS 12 5.569 0.161 -17.458 93 HE2 LYS 12 2HE LYS 12 5.525 -1.894 -18.686 94 HE3 LYS 12 3HE LYS 12 3.928 -2.298 -18.055 95 HZ1 LYS 12 3HZ LYS 12 3.019 -0.394 -19.230 96 HZ2 LYS 12 1HZ LYS 12 3.793 -1.448 -20.305 97 HZ3 LYS 12 2HZ LYS 12 4.549 -0.012 -19.839 98 HA PRO 13 HA PRO 13 6.146 4.386 -12.818 99 HB2 PRO 13 2HB PRO 13 4.044 5.660 -14.052 100 HB3 PRO 13 3HB PRO 13 5.728 5.812 -14.568 101 HG2 PRO 13 2HG PRO 13 3.563 4.055 -15.669 102 HG3 PRO 13 3HG PRO 13 4.769 5.026 -16.538 103 HD2 PRO 13 2HD PRO 13 5.064 2.368 -16.221 104 HD3 PRO 13 3HD PRO 13 6.461 3.468 -16.183 105 H LEU 14 H LEU 14 4.449 5.278 -11.364 106 HA LEU 14 HA LEU 14 3.124 3.294 -9.957 107 HB2 LEU 14 2HB LEU 14 3.715 5.497 -9.043 108 HB3 LEU 14 3HB LEU 14 2.478 6.246 -10.035 109 HG LEU 14 HG LEU 14 0.739 5.004 -8.788 110 HD11 LEU 14 1HD1 LEU 14 2.033 3.055 -8.135 111 HD12 LEU 14 2HD1 LEU 14 1.334 3.837 -6.717 112 HD13 LEU 14 3HD1 LEU 14 3.045 4.052 -7.088 113 HD21 LEU 14 3HD2 LEU 14 2.613 6.603 -7.037 114 HD22 LEU 14 1HD2 LEU 14 0.908 6.281 -6.713 115 HD23 LEU 14 2HD2 LEU 14 1.370 7.266 -8.100 116 H ALA 15 H ALA 15 1.774 5.499 -12.399 117 HA ALA 15 HA ALA 15 -0.914 4.658 -12.200 118 HB1 ALA 15 3HB ALA 15 -0.229 6.742 -13.299 119 HB2 ALA 15 1HB ALA 15 -1.236 5.747 -14.354 120 HB3 ALA 15 2HB ALA 15 0.509 5.809 -14.601 121 H GLU 16 H GLU 16 1.819 3.121 -13.646 122 HA GLU 16 HA GLU 16 0.127 1.323 -15.235 123 HB2 GLU 16 2HB GLU 16 2.966 2.157 -15.362 124 HB3 GLU 16 3HB GLU 16 2.635 0.491 -15.807 125 HG2 GLU 16 2HG GLU 16 1.243 2.870 -17.027 126 HG3 GLU 16 3HG GLU 16 2.664 2.083 -17.717 127 H GLN 17 H GLN 17 1.093 1.386 -12.145 128 HA GLN 17 HA GLN 17 1.824 -1.414 -11.865 129 HB2 GLN 17 2HB GLN 17 1.166 0.712 -9.810 130 HB3 GLN 17 3HB GLN 17 1.710 -0.916 -9.423 131 HG2 GLN 17 2HG GLN 17 3.288 1.088 -11.034 132 HG3 GLN 17 3HG GLN 17 3.506 0.781 -9.312 133 HE21 GLN 17 1HE2 GLN 17 5.374 0.458 -11.550 134 HE22 GLN 17 2HE2 GLN 17 5.881 -1.193 -11.501 135 H ASP 18 H ASP 18 0.434 -3.063 -11.542 136 HA ASP 18 HA ASP 18 -2.329 -2.696 -12.002 137 HB2 ASP 18 2HB ASP 18 -2.486 -5.147 -11.492 138 HB3 ASP 18 3HB ASP 18 -1.278 -4.733 -12.703 139 H TRP 19 H TRP 19 -0.485 -2.939 -9.041 140 HA TRP 19 HA TRP 19 -2.792 -3.303 -7.354 141 HB2 TRP 19 2HB TRP 19 -1.067 -2.728 -5.506 142 HB3 TRP 19 3HB TRP 19 -0.875 -4.224 -6.406 143 HD1 TRP 19 HD1 TRP 19 1.285 -4.505 -7.882 144 HE1 TRP 19 HE1 TRP 19 3.462 -3.150 -8.096 145 HE3 TRP 19 HE3 TRP 19 -0.159 -0.237 -5.458 146 HZ2 TRP 19 HZ2 TRP 19 4.440 -0.617 -7.343 147 HZ3 TRP 19 HZ3 TRP 19 1.459 1.606 -5.254 148 HH2 TRP 19 HH2 TRP 19 3.712 1.417 -6.177 149 H TYR 20 H TYR 20 -1.708 -0.647 -9.028 150 HA TYR 20 HA TYR 20 -2.649 1.289 -7.027 151 HB2 TYR 20 2HB TYR 20 -0.548 1.822 -8.201 152 HB3 TYR 20 3HB TYR 20 -1.386 1.753 -9.747 153 HD1 TYR 20 HD2 TYR 20 -1.601 3.521 -6.452 154 HD2 TYR 20 HD1 TYR 20 -2.138 3.751 -10.669 155 HE1 TYR 20 HE2 TYR 20 -2.141 5.908 -6.249 156 HE2 TYR 20 HE1 TYR 20 -2.683 6.141 -10.477 157 HH TYR 20 HH TYR 20 -2.046 7.966 -7.748 158 H HIS 21 H HIS 21 -4.730 1.895 -7.035 159 HA HIS 21 HA HIS 21 -6.303 1.470 -9.505 160 HB2 HIS 21 2HB HIS 21 -7.103 1.303 -6.597 161 HB3 HIS 21 3HB HIS 21 -8.281 1.352 -7.904 162 HD1 HIS 21 HD1 HIS 21 -9.109 -0.907 -8.404 163 HD2 HIS 21 HD2 HIS 21 -5.109 -0.972 -7.283 164 HE1 HIS 21 HE1 HIS 21 -8.414 -3.315 -8.531 165 HE2 HIS 21 HE2 HIS 21 -5.943 -3.288 -8.070 166 H GLY 22 H GLY 22 -4.827 3.967 -8.330 167 HA2 GLY 22 2HA GLY 22 -5.151 6.216 -8.802 168 HA3 GLY 22 3HA GLY 22 -6.776 5.838 -9.342 169 H ALA 23 H ALA 23 -7.450 7.798 -8.252 170 HA ALA 23 HA ALA 23 -7.276 7.840 -5.337 171 HB1 ALA 23 3HB ALA 23 -6.857 9.909 -6.582 172 HB2 ALA 23 1HB ALA 23 -8.237 10.071 -5.496 173 HB3 ALA 23 2HB ALA 23 -8.499 9.854 -7.227 174 H ILE 24 H ILE 24 -8.666 5.781 -5.394 175 HA ILE 24 HA ILE 24 -11.518 6.303 -5.714 176 HB ILE 24 HB ILE 24 -11.847 3.933 -5.132 177 HG12 ILE 24 2HG1 ILE 24 -8.820 3.807 -4.946 178 HG13 ILE 24 3HG1 ILE 24 -9.925 3.692 -3.581 179 HG21 ILE 24 1HG2 ILE 24 -11.480 4.572 -7.461 180 HG22 ILE 24 2HG2 ILE 24 -10.814 2.971 -7.132 181 HG23 ILE 24 3HG2 ILE 24 -9.741 4.365 -7.253 182 HD11 ILE 24 3HD1 ILE 24 -10.851 1.630 -4.489 183 HD12 ILE 24 1HD1 ILE 24 -9.107 1.509 -4.252 184 HD13 ILE 24 2HD1 ILE 24 -9.760 1.746 -5.872 185 HA PRO 25 HA PRO 25 -12.366 7.339 -1.494 186 HB2 PRO 25 2HB PRO 25 -14.869 5.770 -1.737 187 HB3 PRO 25 3HB PRO 25 -14.644 7.485 -1.381 188 HG2 PRO 25 2HG PRO 25 -15.557 6.683 -3.760 189 HG3 PRO 25 3HG PRO 25 -14.448 8.061 -3.618 190 HD2 PRO 25 2HD PRO 25 -13.865 5.233 -4.446 191 HD3 PRO 25 3HD PRO 25 -13.262 6.757 -5.135 192 H ARG 26 H ARG 26 -13.108 6.383 0.619 193 HA ARG 26 HA ARG 26 -11.399 4.304 1.372 194 HB2 ARG 26 2HB ARG 26 -12.205 5.998 2.933 195 HB3 ARG 26 3HB ARG 26 -13.848 5.387 2.786 196 HG2 ARG 26 2HG ARG 26 -13.063 3.227 3.757 197 HG3 ARG 26 3HG ARG 26 -11.489 3.976 4.031 198 HD2 ARG 26 2HD ARG 26 -12.927 3.996 6.042 199 HD3 ARG 26 3HD ARG 26 -12.480 5.617 5.509 200 HE ARG 26 HE ARG 26 -14.734 5.754 4.501 201 HH11 ARG 26 1HH1 ARG 26 -14.176 3.550 7.097 202 HH12 ARG 26 2HH1 ARG 26 -15.858 3.431 7.490 203 HH21 ARG 26 1HH2 ARG 26 -16.881 5.603 5.042 204 HH22 ARG 26 2HH2 ARG 26 -17.365 4.583 6.351 205 H ILE 27 H ILE 27 -14.963 4.212 1.076 206 HA ILE 27 HA ILE 27 -15.267 1.509 1.774 207 HB ILE 27 HB ILE 27 -17.061 3.253 0.069 208 HG12 ILE 27 2HG1 ILE 27 -17.186 2.508 3.010 209 HG13 ILE 27 3HG1 ILE 27 -16.668 4.066 2.377 210 HG21 ILE 27 1HG2 ILE 27 -18.851 1.641 0.583 211 HG22 ILE 27 2HG2 ILE 27 -17.669 0.590 1.366 212 HG23 ILE 27 3HG2 ILE 27 -17.557 0.910 -0.365 213 HD11 ILE 27 3HD1 ILE 27 -18.948 4.136 3.224 214 HD12 ILE 27 1HD1 ILE 27 -19.422 2.883 2.079 215 HD13 ILE 27 2HD1 ILE 27 -18.897 4.463 1.493 216 H GLU 28 H GLU 28 -15.023 2.998 -1.460 217 HA GLU 28 HA GLU 28 -15.251 0.748 -3.051 218 HB2 GLU 28 2HB GLU 28 -13.552 3.220 -3.386 219 HB3 GLU 28 3HB GLU 28 -13.697 1.994 -4.639 220 HG2 GLU 28 2HG GLU 28 -16.043 3.475 -3.464 221 HG3 GLU 28 3HG GLU 28 -15.182 3.981 -4.919 222 H ALA 29 H ALA 29 -12.388 1.874 -1.288 223 HA ALA 29 HA ALA 29 -10.591 -0.027 -2.422 224 HB1 ALA 29 3HB ALA 29 -9.843 2.076 -1.405 225 HB2 ALA 29 1HB ALA 29 -9.044 0.677 -0.681 226 HB3 ALA 29 2HB ALA 29 -10.357 1.490 0.178 227 H GLN 30 H GLN 30 -12.341 0.059 0.692 228 HA GLN 30 HA GLN 30 -11.205 -2.365 1.655 229 HB2 GLN 30 2HB GLN 30 -12.801 -2.188 3.492 230 HB3 GLN 30 3HB GLN 30 -12.046 -0.637 3.168 231 HG2 GLN 30 2HG GLN 30 -14.230 -0.028 3.502 232 HG3 GLN 30 3HG GLN 30 -14.183 -0.193 1.748 233 HE21 GLN 30 1HE2 GLN 30 -16.341 -0.640 1.526 234 HE22 GLN 30 2HE2 GLN 30 -17.066 -2.105 2.069 235 H GLU 31 H GLU 31 -13.991 -1.684 -0.314 236 HA GLU 31 HA GLU 31 -15.494 -4.023 0.034 237 HB2 GLU 31 2HB GLU 31 -15.189 -2.124 -2.282 238 HB3 GLU 31 3HB GLU 31 -16.233 -3.532 -2.397 239 HG2 GLU 31 2HG GLU 31 -16.515 -1.453 -0.238 240 HG3 GLU 31 3HG GLU 31 -17.354 -1.365 -1.787 241 H LEU 32 H LEU 32 -12.674 -3.456 -2.060 242 HA LEU 32 HA LEU 32 -13.081 -5.957 -3.461 243 HB2 LEU 32 2HB LEU 32 -11.159 -5.374 -4.781 244 HB3 LEU 32 3HB LEU 32 -12.214 -3.986 -4.631 245 HG LEU 32 HG LEU 32 -10.532 -3.393 -2.632 246 HD11 LEU 32 1HD1 LEU 32 -8.224 -3.947 -3.283 247 HD12 LEU 32 2HD1 LEU 32 -8.843 -5.013 -4.542 248 HD13 LEU 32 3HD1 LEU 32 -9.157 -5.376 -2.845 249 HD21 LEU 32 3HD2 LEU 32 -11.051 -1.942 -4.511 250 HD22 LEU 32 1HD2 LEU 32 -10.001 -2.891 -5.564 251 HD23 LEU 32 2HD2 LEU 32 -9.314 -1.973 -4.225 252 H LEU 33 H LEU 33 -11.121 -4.847 -0.792 253 HA LEU 33 HA LEU 33 -9.188 -6.864 -0.666 254 HB2 LEU 33 2HB LEU 33 -10.557 -5.445 1.630 255 HB3 LEU 33 3HB LEU 33 -9.034 -6.314 1.731 256 HG LEU 33 HG LEU 33 -9.482 -3.846 0.030 257 HD11 LEU 33 1HD1 LEU 33 -8.131 -4.110 2.716 258 HD12 LEU 33 2HD1 LEU 33 -9.646 -3.269 2.377 259 HD13 LEU 33 3HD1 LEU 33 -8.134 -2.667 1.700 260 HD21 LEU 33 3HD2 LEU 33 -7.029 -3.826 -0.128 261 HD22 LEU 33 1HD2 LEU 33 -7.734 -5.271 -0.850 262 HD23 LEU 33 2HD2 LEU 33 -6.969 -5.362 0.737 263 H LYS 34 H LYS 34 -9.697 -8.988 -0.863 264 HA LYS 34 HA LYS 34 -12.012 -10.016 0.674 265 HB2 LYS 34 2HB LYS 34 -12.509 -11.465 -1.287 266 HB3 LYS 34 3HB LYS 34 -12.679 -9.743 -1.613 267 HG2 LYS 34 2HG LYS 34 -10.330 -9.823 -2.564 268 HG3 LYS 34 3HG LYS 34 -10.459 -11.582 -2.481 269 HD2 LYS 34 2HD LYS 34 -12.366 -11.550 -3.978 270 HD3 LYS 34 3HD LYS 34 -12.376 -9.785 -3.979 271 HE2 LYS 34 2HE LYS 34 -10.085 -9.839 -4.968 272 HE3 LYS 34 3HE LYS 34 -10.233 -11.592 -5.097 273 HZ1 LYS 34 3HZ LYS 34 -12.137 -11.291 -6.542 274 HZ2 LYS 34 1HZ LYS 34 -10.789 -10.482 -7.166 275 HZ3 LYS 34 2HZ LYS 34 -12.018 -9.610 -6.399 276 H LYS 35 H LYS 35 -8.716 -10.390 0.426 277 HA LYS 35 HA LYS 35 -8.887 -13.056 1.605 278 HB2 LYS 35 2HB LYS 35 -7.208 -14.037 0.117 279 HB3 LYS 35 3HB LYS 35 -8.635 -13.536 -0.780 280 HG2 LYS 35 2HG LYS 35 -7.405 -11.440 -1.401 281 HG3 LYS 35 3HG LYS 35 -5.959 -12.153 -0.679 282 HD2 LYS 35 2HD LYS 35 -7.561 -13.291 -2.979 283 HD3 LYS 35 3HD LYS 35 -5.987 -12.501 -3.099 284 HE2 LYS 35 2HE LYS 35 -4.936 -14.273 -1.863 285 HE3 LYS 35 3HE LYS 35 -6.496 -15.006 -1.487 286 HZ1 LYS 35 3HZ LYS 35 -6.804 -15.444 -3.852 287 HZ2 LYS 35 1HZ LYS 35 -5.398 -16.178 -3.270 288 HZ3 LYS 35 2HZ LYS 35 -5.291 -14.769 -4.194 289 H GLN 36 H GLN 36 -6.918 -13.735 2.715 290 HA GLN 36 HA GLN 36 -5.664 -11.609 4.097 291 HB2 GLN 36 2HB GLN 36 -5.995 -13.996 4.929 292 HB3 GLN 36 3HB GLN 36 -4.607 -14.440 3.944 293 HG2 GLN 36 2HG GLN 36 -3.650 -14.119 6.019 294 HG3 GLN 36 3HG GLN 36 -3.381 -12.562 5.247 295 HE21 GLN 36 1HE2 GLN 36 -6.348 -11.951 5.668 296 HE22 GLN 36 2HE2 GLN 36 -6.430 -11.495 7.317 297 H GLY 37 H GLY 37 -4.196 -10.251 3.303 298 HA2 GLY 37 2HA GLY 37 -1.905 -9.956 2.481 299 HA3 GLY 37 3HA GLY 37 -2.193 -11.288 1.374 300 H ASP 38 H ASP 38 -4.964 -10.137 0.944 301 HA ASP 38 HA ASP 38 -4.666 -8.848 -1.479 302 HB2 ASP 38 2HB ASP 38 -6.740 -9.870 -0.353 303 HB3 ASP 38 3HB ASP 38 -6.931 -8.326 0.459 304 H PHE 39 H PHE 39 -3.932 -6.815 -2.020 305 HA PHE 39 HA PHE 39 -4.426 -4.583 -0.231 306 HB2 PHE 39 2HB PHE 39 -2.161 -3.916 0.084 307 HB3 PHE 39 3HB PHE 39 -2.262 -5.610 0.538 308 HD1 PHE 39 HD1 PHE 39 -1.365 -7.351 -1.032 309 HD2 PHE 39 HD2 PHE 39 -0.721 -3.185 -1.640 310 HE1 PHE 39 HE1 PHE 39 0.504 -7.863 -2.544 311 HE2 PHE 39 HE2 PHE 39 1.149 -3.692 -3.155 312 HZ PHE 39 HZ PHE 39 1.764 -6.030 -3.611 313 H LEU 40 H LEU 40 -4.140 -2.535 -1.137 314 HA LEU 40 HA LEU 40 -3.095 -2.264 -3.840 315 HB2 LEU 40 2HB LEU 40 -4.993 -1.251 -4.815 316 HB3 LEU 40 3HB LEU 40 -5.569 -2.733 -4.075 317 HG LEU 40 HG LEU 40 -5.809 -0.065 -2.679 318 HD11 LEU 40 1HD1 LEU 40 -8.100 0.076 -3.520 319 HD12 LEU 40 2HD1 LEU 40 -7.814 -1.332 -4.543 320 HD13 LEU 40 3HD1 LEU 40 -6.917 0.162 -4.825 321 HD21 LEU 40 3HD2 LEU 40 -7.283 -2.685 -2.377 322 HD22 LEU 40 1HD2 LEU 40 -7.635 -1.205 -1.485 323 HD23 LEU 40 2HD2 LEU 40 -6.087 -2.021 -1.264 324 H VAL 41 H VAL 41 -2.519 -0.100 -4.372 325 HA VAL 41 HA VAL 41 -2.527 1.787 -2.108 326 HB VAL 41 HB VAL 41 -0.821 1.790 -4.613 327 HG11 VAL 41 1HG1 VAL 41 -0.780 3.681 -2.250 328 HG12 VAL 41 2HG1 VAL 41 -1.297 4.077 -3.889 329 HG13 VAL 41 3HG1 VAL 41 0.388 3.663 -3.572 330 HG21 VAL 41 3HG2 VAL 41 -0.098 1.254 -1.726 331 HG22 VAL 41 1HG2 VAL 41 1.028 1.309 -3.082 332 HG23 VAL 41 2HG2 VAL 41 -0.201 0.048 -3.010 333 H ARG 42 H ARG 42 -3.750 3.554 -2.182 334 HA ARG 42 HA ARG 42 -4.800 4.493 -4.780 335 HB2 ARG 42 2HB ARG 42 -6.976 4.902 -3.778 336 HB3 ARG 42 3HB ARG 42 -6.548 3.209 -3.560 337 HG2 ARG 42 2HG ARG 42 -5.968 3.594 -1.254 338 HG3 ARG 42 3HG ARG 42 -6.195 5.332 -1.444 339 HD2 ARG 42 2HD ARG 42 -8.588 4.908 -1.974 340 HD3 ARG 42 3HD ARG 42 -8.322 3.199 -1.628 341 HE ARG 42 HE ARG 42 -7.869 3.815 0.666 342 HH11 ARG 42 1HH1 ARG 42 -9.317 6.234 -1.299 343 HH12 ARG 42 2HH1 ARG 42 -9.915 7.130 0.051 344 HH21 ARG 42 1HH2 ARG 42 -8.660 4.965 2.402 345 HH22 ARG 42 2HH2 ARG 42 -9.555 6.415 2.124 346 H GLU 43 H GLU 43 -5.476 6.763 -4.760 347 HA GLU 43 HA GLU 43 -3.996 8.393 -2.827 348 HB2 GLU 43 2HB GLU 43 -3.716 8.992 -5.172 349 HB3 GLU 43 3HB GLU 43 -5.454 9.143 -5.376 350 HG2 GLU 43 2HG GLU 43 -5.522 11.062 -3.938 351 HG3 GLU 43 3HG GLU 43 -3.820 10.869 -3.524 352 H SER 44 H SER 44 -5.018 10.004 -1.563 353 HA SER 44 HA SER 44 -7.490 9.231 -0.423 354 HB2 SER 44 2HB SER 44 -5.681 10.461 0.785 355 HB3 SER 44 3HB SER 44 -6.070 11.898 -0.156 356 HG SER 44 HG SER 44 -7.057 11.464 2.079 357 H HIS 45 H HIS 45 -9.454 9.490 -1.324 358 HA HIS 45 HA HIS 45 -9.902 11.239 -3.528 359 HB2 HIS 45 2HB HIS 45 -11.092 9.033 -3.099 360 HB3 HIS 45 3HB HIS 45 -12.042 9.873 -1.877 361 HD1 HIS 45 HD1 HIS 45 -14.144 10.960 -2.704 362 HD2 HIS 45 HD2 HIS 45 -11.435 10.229 -5.775 363 HE1 HIS 45 HE1 HIS 45 -15.344 11.569 -4.826 364 HE2 HIS 45 HE2 HIS 45 -13.686 11.134 -6.665 365 H GLY 46 H GLY 46 -9.441 13.314 -2.861 366 HA2 GLY 46 2HA GLY 46 -10.990 15.251 -2.184 367 HA3 GLY 46 3HA GLY 46 -11.005 14.445 -0.621 368 H LYS 47 H LYS 47 -8.143 13.627 -1.017 369 HA LYS 47 HA LYS 47 -6.821 16.245 -0.728 370 HB2 LYS 47 2HB LYS 47 -7.232 15.300 1.506 371 HB3 LYS 47 3HB LYS 47 -6.388 13.831 1.048 372 HG2 LYS 47 2HG LYS 47 -4.965 15.195 2.427 373 HG3 LYS 47 3HG LYS 47 -4.303 15.127 0.797 374 HD2 LYS 47 2HD LYS 47 -6.114 17.401 1.481 375 HD3 LYS 47 3HD LYS 47 -4.489 17.410 2.163 376 HE2 LYS 47 2HE LYS 47 -3.507 17.334 -0.035 377 HE3 LYS 47 3HE LYS 47 -5.087 17.109 -0.782 378 HZ1 LYS 47 3HZ LYS 47 -4.214 19.530 0.698 379 HZ2 LYS 47 1HZ LYS 47 -5.721 19.309 -0.042 380 HZ3 LYS 47 2HZ LYS 47 -4.318 19.383 -0.983 381 HA PRO 48 HA PRO 48 -4.566 13.844 -4.027 382 HB2 PRO 48 2HB PRO 48 -3.749 16.672 -4.546 383 HB3 PRO 48 3HB PRO 48 -4.242 15.415 -5.688 384 HG2 PRO 48 2HG PRO 48 -5.914 17.390 -5.058 385 HG3 PRO 48 3HG PRO 48 -6.512 15.730 -5.256 386 HD2 PRO 48 2HD PRO 48 -5.998 17.274 -2.738 387 HD3 PRO 48 3HD PRO 48 -7.312 16.141 -3.117 388 H GLY 49 H GLY 49 -2.461 13.172 -3.930 389 HA2 GLY 49 2HA GLY 49 -0.156 13.360 -3.391 390 HA3 GLY 49 3HA GLY 49 -0.532 14.689 -2.307 391 H GLU 50 H GLU 50 -2.709 13.277 -0.950 392 HA GLU 50 HA GLU 50 -1.122 11.719 0.904 393 HB2 GLU 50 2HB GLU 50 -2.845 13.251 1.744 394 HB3 GLU 50 3HB GLU 50 -4.086 12.357 0.877 395 HG2 GLU 50 2HG GLU 50 -3.624 10.384 2.269 396 HG3 GLU 50 3HG GLU 50 -2.401 11.299 3.148 397 H TYR 51 H TYR 51 -0.535 9.778 -0.007 398 HA TYR 51 HA TYR 51 -2.565 8.142 -1.324 399 HB2 TYR 51 2HB TYR 51 0.430 7.991 -1.141 400 HB3 TYR 51 3HB TYR 51 -0.504 6.591 -1.663 401 HD1 TYR 51 HD2 TYR 51 -0.445 10.278 -2.393 402 HD2 TYR 51 HD1 TYR 51 -0.677 6.321 -3.952 403 HE1 TYR 51 HE2 TYR 51 -0.558 11.186 -4.675 404 HE2 TYR 51 HE1 TYR 51 -0.786 7.224 -6.233 405 HH TYR 51 HH TYR 51 -0.524 10.697 -6.867 406 H VAL 52 H VAL 52 -3.592 6.512 -0.415 407 HA VAL 52 HA VAL 52 -2.704 5.583 2.240 408 HB VAL 52 HB VAL 52 -5.511 5.534 1.108 409 HG11 VAL 52 1HG1 VAL 52 -5.148 3.769 2.736 410 HG12 VAL 52 2HG1 VAL 52 -6.178 5.022 3.429 411 HG13 VAL 52 3HG1 VAL 52 -4.476 4.930 3.883 412 HG21 VAL 52 3HG2 VAL 52 -6.002 7.369 2.656 413 HG22 VAL 52 1HG2 VAL 52 -4.767 7.834 1.486 414 HG23 VAL 52 2HG2 VAL 52 -4.306 7.424 3.139 415 H LEU 53 H LEU 53 -1.982 3.578 2.350 416 HA LEU 53 HA LEU 53 -2.571 1.590 0.312 417 HB2 LEU 53 2HB LEU 53 -0.302 1.738 1.174 418 HB3 LEU 53 3HB LEU 53 -0.874 1.520 2.817 419 HG LEU 53 HG LEU 53 -1.628 -0.788 2.187 420 HD11 LEU 53 1HD1 LEU 53 -0.732 -1.802 0.151 421 HD12 LEU 53 2HD1 LEU 53 -0.101 -0.234 -0.357 422 HD13 LEU 53 3HD1 LEU 53 -1.843 -0.483 -0.221 423 HD21 LEU 53 3HD2 LEU 53 0.634 -1.762 2.177 424 HD22 LEU 53 1HD2 LEU 53 0.469 -0.462 3.358 425 HD23 LEU 53 2HD2 LEU 53 1.306 -0.168 1.835 426 H SER 54 H SER 54 -3.968 -0.111 0.555 427 HA SER 54 HA SER 54 -5.157 -0.549 3.227 428 HB2 SER 54 2HB SER 54 -6.655 -0.487 0.590 429 HB3 SER 54 3HB SER 54 -7.348 -0.993 2.132 430 HG SER 54 HG SER 54 -6.221 1.566 1.608 431 H VAL 55 H VAL 55 -5.033 -2.582 3.907 432 HA VAL 55 HA VAL 55 -4.759 -4.770 1.960 433 HB VAL 55 HB VAL 55 -2.479 -4.171 2.559 434 HG11 VAL 55 1HG1 VAL 55 -1.650 -4.259 4.837 435 HG12 VAL 55 2HG1 VAL 55 -3.262 -4.661 5.431 436 HG13 VAL 55 3HG1 VAL 55 -2.958 -3.081 4.706 437 HG21 VAL 55 3HG2 VAL 55 -1.691 -6.330 3.418 438 HG22 VAL 55 1HG2 VAL 55 -2.954 -6.541 2.205 439 HG23 VAL 55 2HG2 VAL 55 -3.333 -6.734 3.919 440 H TYR 56 H TYR 56 -5.356 -6.838 2.730 441 HA TYR 56 HA TYR 56 -7.237 -6.753 4.983 442 HB2 TYR 56 2HB TYR 56 -7.873 -7.509 2.621 443 HB3 TYR 56 3HB TYR 56 -6.915 -8.949 2.933 444 HD1 TYR 56 HD1 TYR 56 -9.960 -7.106 3.835 445 HD2 TYR 56 HD2 TYR 56 -7.741 -10.697 4.397 446 HE1 TYR 56 HE1 TYR 56 -11.927 -8.156 4.858 447 HE2 TYR 56 HE2 TYR 56 -9.709 -11.754 5.424 448 HH TYR 56 HH TYR 56 -11.801 -11.033 6.593 449 H SER 57 H SER 57 -6.208 -7.239 6.873 450 HA SER 57 HA SER 57 -4.718 -9.783 7.029 451 HB2 SER 57 2HB SER 57 -2.912 -8.892 8.219 452 HB3 SER 57 3HB SER 57 -3.219 -7.637 7.019 453 HG SER 57 HG SER 57 -3.751 -7.655 9.780 454 H ASP 58 H ASP 58 -4.989 -10.951 8.939 455 HA ASP 58 HA ASP 58 -5.951 -11.651 10.884 456 HB2 ASP 58 2HB ASP 58 -6.461 -8.708 11.416 457 HB3 ASP 58 3HB ASP 58 -6.553 -10.001 12.603 458 H GLY 59 H GLY 59 -7.584 -10.804 8.362 459 HA2 GLY 59 2HA GLY 59 -9.798 -11.132 7.737 460 HA3 GLY 59 3HA GLY 59 -10.213 -11.369 9.427 461 H GLN 60 H GLN 60 -8.389 -8.569 8.844 462 HA GLN 60 HA GLN 60 -10.801 -6.864 8.908 463 HB2 GLN 60 2HB GLN 60 -8.214 -6.510 10.445 464 HB3 GLN 60 3HB GLN 60 -9.537 -5.352 10.426 465 HG2 GLN 60 2HG GLN 60 -10.997 -6.937 11.519 466 HG3 GLN 60 3HG GLN 60 -9.755 -8.186 11.434 467 HE21 GLN 60 1HE2 GLN 60 -11.113 -7.071 13.761 468 HE22 GLN 60 2HE2 GLN 60 -9.869 -6.456 14.786 469 H ARG 61 H ARG 61 -10.559 -4.722 8.015 470 HA ARG 61 HA ARG 61 -8.606 -4.538 5.868 471 HB2 ARG 61 2HB ARG 61 -11.002 -2.918 6.674 472 HB3 ARG 61 3HB ARG 61 -9.820 -2.232 5.572 473 HG2 ARG 61 2HG ARG 61 -11.504 -3.130 4.214 474 HG3 ARG 61 3HG ARG 61 -10.166 -4.266 4.114 475 HD2 ARG 61 2HD ARG 61 -11.274 -5.818 5.540 476 HD3 ARG 61 3HD ARG 61 -12.504 -4.631 5.985 477 HE ARG 61 HE ARG 61 -12.546 -5.026 3.195 478 HH11 ARG 61 1HH1 ARG 61 -13.332 -6.708 6.095 479 HH12 ARG 61 2HH1 ARG 61 -14.644 -7.564 5.366 480 HH21 ARG 61 1HH2 ARG 61 -14.224 -6.135 2.276 481 HH22 ARG 61 2HH2 ARG 61 -15.132 -7.252 3.229 482 H ARG 62 H ARG 62 -6.590 -3.966 6.481 483 HA ARG 62 HA ARG 62 -6.071 -1.928 8.481 484 HB2 ARG 62 2HB ARG 62 -4.205 -3.318 6.536 485 HB3 ARG 62 3HB ARG 62 -3.696 -2.274 7.855 486 HG2 ARG 62 2HG ARG 62 -5.321 -4.743 8.381 487 HG3 ARG 62 3HG ARG 62 -3.572 -4.829 8.158 488 HD2 ARG 62 2HD ARG 62 -3.360 -3.115 9.998 489 HD3 ARG 62 3HD ARG 62 -5.090 -3.324 10.294 490 HE ARG 62 HE ARG 62 -4.063 -5.854 10.356 491 HH11 ARG 62 1HH1 ARG 62 -3.335 -2.948 12.071 492 HH12 ARG 62 2HH1 ARG 62 -2.822 -3.793 13.487 493 HH21 ARG 62 1HH2 ARG 62 -3.382 -6.919 12.180 494 HH22 ARG 62 2HH2 ARG 62 -2.849 -6.003 13.548 495 H HIS 63 H HIS 63 -5.240 0.173 8.074 496 HA HIS 63 HA HIS 63 -5.071 1.040 5.268 497 HB2 HIS 63 2HB HIS 63 -6.534 2.577 7.435 498 HB3 HIS 63 3HB HIS 63 -6.275 3.122 5.781 499 HD1 HIS 63 HD1 HIS 63 -7.403 1.354 3.917 500 HD2 HIS 63 HD2 HIS 63 -8.945 1.402 7.778 501 HE1 HIS 63 HE1 HIS 63 -9.685 0.328 3.749 502 HE2 HIS 63 HE2 HIS 63 -10.662 0.543 6.054 503 H PHE 64 H PHE 64 -3.120 1.891 4.924 504 HA PHE 64 HA PHE 64 -1.726 3.262 7.145 505 HB2 PHE 64 2HB PHE 64 -0.468 1.746 4.840 506 HB3 PHE 64 3HB PHE 64 0.387 2.503 6.180 507 HD1 PHE 64 HD2 PHE 64 0.003 1.601 8.517 508 HD2 PHE 64 HD1 PHE 64 -1.272 -0.454 5.009 509 HE1 PHE 64 HE2 PHE 64 -0.155 -0.491 9.802 510 HE2 PHE 64 HE1 PHE 64 -1.430 -2.546 6.293 511 HZ PHE 64 HZ PHE 64 -0.871 -2.566 8.687 512 H ILE 65 H ILE 65 -1.610 5.409 6.808 513 HA ILE 65 HA ILE 65 -1.753 6.509 4.114 514 HB ILE 65 HB ILE 65 -1.567 7.914 6.793 515 HG12 ILE 65 2HG1 ILE 65 -3.942 7.420 4.970 516 HG13 ILE 65 3HG1 ILE 65 -3.643 6.612 6.504 517 HG21 ILE 65 1HG2 ILE 65 -0.708 9.318 4.981 518 HG22 ILE 65 2HG2 ILE 65 -2.249 9.930 5.575 519 HG23 ILE 65 3HG2 ILE 65 -2.184 9.041 4.054 520 HD11 ILE 65 3HD1 ILE 65 -3.888 8.744 7.671 521 HD12 ILE 65 1HD1 ILE 65 -5.322 8.348 6.726 522 HD13 ILE 65 2HD1 ILE 65 -4.181 9.554 6.132 523 H ILE 66 H ILE 66 -0.054 7.217 2.955 524 HA ILE 66 HA ILE 66 2.625 6.821 3.975 525 HB ILE 66 HB ILE 66 1.742 7.858 1.266 526 HG12 ILE 66 2HG1 ILE 66 2.505 5.048 2.122 527 HG13 ILE 66 3HG1 ILE 66 0.877 5.589 1.729 528 HG21 ILE 66 1HG2 ILE 66 4.407 6.774 2.199 529 HG22 ILE 66 2HG2 ILE 66 4.050 8.449 1.777 530 HG23 ILE 66 3HG2 ILE 66 4.002 7.199 0.536 531 HD11 ILE 66 3HD1 ILE 66 1.856 4.348 -0.107 532 HD12 ILE 66 1HD1 ILE 66 3.211 5.475 -0.170 533 HD13 ILE 66 2HD1 ILE 66 1.584 6.028 -0.570 534 H GLN 67 H GLN 67 3.815 8.361 4.950 535 HA GLN 67 HA GLN 67 3.120 11.181 4.653 536 HB2 GLN 67 2HB GLN 67 5.235 9.830 6.353 537 HB3 GLN 67 3HB GLN 67 4.925 11.561 6.345 538 HG2 GLN 67 2HG GLN 67 3.825 10.703 8.243 539 HG3 GLN 67 3HG GLN 67 2.562 11.031 7.058 540 HE21 GLN 67 1HE2 GLN 67 1.120 9.570 7.943 541 HE22 GLN 67 2HE2 GLN 67 1.348 7.863 7.829 542 H TYR 68 H TYR 68 4.114 12.558 3.304 543 HA TYR 68 HA TYR 68 6.410 11.638 1.750 544 HB2 TYR 68 2HB TYR 68 4.466 12.703 0.621 545 HB3 TYR 68 3HB TYR 68 4.788 14.192 1.502 546 HD1 TYR 68 HD1 TYR 68 6.613 11.770 -0.710 547 HD2 TYR 68 HD2 TYR 68 5.965 15.840 0.370 548 HE1 TYR 68 HE1 TYR 68 8.107 12.484 -2.525 549 HE2 TYR 68 HE2 TYR 68 7.460 16.563 -1.447 550 HH TYR 68 HH TYR 68 9.258 15.709 -2.809 551 H VAL 69 H VAL 69 8.246 11.814 2.950 552 HA VAL 69 HA VAL 69 8.803 14.404 4.272 553 HB VAL 69 HB VAL 69 9.656 11.655 5.222 554 HG11 VAL 69 1HG1 VAL 69 10.442 12.824 7.235 555 HG12 VAL 69 2HG1 VAL 69 10.040 14.370 6.489 556 HG13 VAL 69 3HG1 VAL 69 11.302 13.354 5.790 557 HG21 VAL 69 3HG2 VAL 69 7.268 11.995 5.545 558 HG22 VAL 69 1HG2 VAL 69 7.574 13.544 6.333 559 HG23 VAL 69 2HG2 VAL 69 8.108 12.045 7.095 560 H ASP 70 H ASP 70 10.537 15.442 3.524 561 HA ASP 70 HA ASP 70 12.457 15.944 2.410 562 HB2 ASP 70 2HB ASP 70 13.255 13.266 3.571 563 HB3 ASP 70 3HB ASP 70 14.386 14.365 2.783 564 H ASN 71 H ASN 71 10.472 14.891 0.768 565 HA ASN 71 HA ASN 71 10.142 14.218 -1.370 566 HB2 ASN 71 2HB ASN 71 13.165 14.163 -1.482 567 HB3 ASN 71 3HB ASN 71 12.112 13.972 -2.883 568 HD21 ASN 71 1HD2 ASN 71 14.099 16.065 -2.191 569 HD22 ASN 71 2HD2 ASN 71 13.226 17.553 -2.294 570 H MET 72 H MET 72 10.798 12.266 0.959 571 HA MET 72 HA MET 72 10.896 9.846 -0.730 572 HB2 MET 72 2HB MET 72 11.815 10.157 2.139 573 HB3 MET 72 3HB MET 72 11.834 8.657 1.224 574 HG2 MET 72 2HG MET 72 13.436 9.636 -0.348 575 HG3 MET 72 3HG MET 72 13.424 11.137 0.578 576 HE1 MET 72 3HE MET 72 14.972 9.972 3.999 577 HE2 MET 72 1HE MET 72 13.257 9.945 3.592 578 HE3 MET 72 2HE MET 72 14.259 11.313 3.105 579 H TYR 73 H TYR 73 9.186 8.511 -0.634 580 HA TYR 73 HA TYR 73 6.960 9.096 1.121 581 HB2 TYR 73 2HB TYR 73 7.346 6.912 -0.946 582 HB3 TYR 73 3HB TYR 73 5.848 7.217 -0.078 583 HD1 TYR 73 HD2 TYR 73 4.550 9.291 -0.531 584 HD2 TYR 73 HD1 TYR 73 7.997 8.264 -2.820 585 HE1 TYR 73 HE2 TYR 73 3.853 10.874 -2.282 586 HE2 TYR 73 HE1 TYR 73 7.308 9.839 -4.574 587 HH TYR 73 HH TYR 73 4.828 12.155 -4.115 588 H ARG 74 H ARG 74 6.652 8.190 3.070 589 HA ARG 74 HA ARG 74 7.938 5.603 3.680 590 HB2 ARG 74 2HB ARG 74 8.544 6.529 5.937 591 HB3 ARG 74 3HB ARG 74 9.431 7.237 4.592 592 HG2 ARG 74 2HG ARG 74 8.121 9.228 4.665 593 HG3 ARG 74 3HG ARG 74 6.993 8.516 5.819 594 HD2 ARG 74 2HD ARG 74 9.909 9.107 6.344 595 HD3 ARG 74 3HD ARG 74 8.553 10.091 6.887 596 HE ARG 74 HE ARG 74 9.575 7.813 8.167 597 HH11 ARG 74 1HH1 ARG 74 6.525 9.226 7.372 598 HH12 ARG 74 2HH1 ARG 74 5.725 8.525 8.732 599 HH21 ARG 74 1HH2 ARG 74 8.520 6.927 9.906 600 HH22 ARG 74 2HH2 ARG 74 6.841 7.264 10.159 601 H PHE 75 H PHE 75 6.864 4.275 5.115 602 HA PHE 75 HA PHE 75 4.157 5.045 5.928 603 HB2 PHE 75 2HB PHE 75 5.609 2.395 5.893 604 HB3 PHE 75 3HB PHE 75 4.032 2.599 6.642 605 HD1 PHE 75 HD1 PHE 75 2.102 3.363 5.203 606 HD2 PHE 75 HD2 PHE 75 5.802 2.018 3.577 607 HE1 PHE 75 HE1 PHE 75 0.994 2.931 3.052 608 HE2 PHE 75 HE2 PHE 75 4.698 1.590 1.418 609 HZ PHE 75 HZ PHE 75 2.292 2.046 1.154 610 H GLU 76 H GLU 76 7.157 3.780 7.359 611 HA GLU 76 HA GLU 76 6.466 4.907 9.954 612 HB2 GLU 76 2HB GLU 76 5.401 2.694 9.979 613 HB3 GLU 76 3HB GLU 76 6.928 1.942 9.545 614 HG2 GLU 76 2HG GLU 76 7.895 2.679 11.673 615 HG3 GLU 76 3HG GLU 76 6.356 3.425 12.106 616 H GLY 77 H GLY 77 8.769 2.513 8.590 617 HA2 GLY 77 2HA GLY 77 10.978 3.901 9.925 618 HA3 GLY 77 3HA GLY 77 11.056 2.330 9.147 619 H THR 78 H THR 78 12.354 2.348 7.432 620 HA THR 78 HA THR 78 13.227 4.730 6.148 621 HB THR 78 HB THR 78 13.579 1.827 5.354 622 HG1 THR 78 HG1 THR 78 14.756 2.192 7.172 623 HG21 THR 78 3HG2 THR 78 15.384 2.604 3.871 624 HG22 THR 78 1HG2 THR 78 14.957 4.278 4.227 625 HG23 THR 78 2HG2 THR 78 13.820 3.241 3.362 626 H GLY 79 H GLY 79 12.702 5.649 4.199 627 HA2 GLY 79 2HA GLY 79 10.376 4.504 2.752 628 HA3 GLY 79 3HA GLY 79 10.555 6.223 3.056 629 H PHE 80 H PHE 80 10.117 5.443 0.513 630 HA PHE 80 HA PHE 80 12.745 5.749 -0.815 631 HB2 PHE 80 2HB PHE 80 10.374 4.077 -1.686 632 HB3 PHE 80 3HB PHE 80 11.697 4.498 -2.767 633 HD1 PHE 80 HD1 PHE 80 11.009 2.835 0.506 634 HD2 PHE 80 HD2 PHE 80 13.563 3.129 -2.889 635 HE1 PHE 80 HE1 PHE 80 12.263 0.873 1.286 636 HE2 PHE 80 HE2 PHE 80 14.823 1.167 -2.111 637 HZ PHE 80 HZ PHE 80 14.174 0.034 -0.022 638 H SER 81 H SER 81 12.856 7.157 -2.576 639 HA SER 81 HA SER 81 11.134 9.399 -2.482 640 HB2 SER 81 2HB SER 81 13.510 9.530 -3.161 641 HB3 SER 81 3HB SER 81 13.123 8.672 -4.651 642 HG SER 81 HG SER 81 11.767 11.058 -3.960 643 H ASN 82 H ASN 82 10.844 6.466 -4.203 644 HA ASN 82 HA ASN 82 8.631 7.594 -5.805 645 HB2 ASN 82 2HB ASN 82 10.444 5.277 -6.536 646 HB3 ASN 82 3HB ASN 82 9.066 5.836 -7.481 647 HD21 ASN 82 1HD2 ASN 82 12.288 6.625 -6.388 648 HD22 ASN 82 2HD2 ASN 82 12.579 7.862 -7.557 649 H ILE 83 H ILE 83 6.659 6.724 -5.466 650 HA ILE 83 HA ILE 83 6.135 4.893 -3.417 651 HB ILE 83 HB ILE 83 4.348 5.594 -5.759 652 HG12 ILE 83 2HG1 ILE 83 4.514 6.746 -2.958 653 HG13 ILE 83 3HG1 ILE 83 5.051 7.548 -4.431 654 HG21 ILE 83 1HG2 ILE 83 3.665 4.329 -3.099 655 HG22 ILE 83 2HG2 ILE 83 3.606 3.539 -4.676 656 HG23 ILE 83 3HG2 ILE 83 2.498 4.862 -4.309 657 HD11 ILE 83 3HD1 ILE 83 2.752 7.593 -5.242 658 HD12 ILE 83 1HD1 ILE 83 2.909 8.400 -3.684 659 HD13 ILE 83 2HD1 ILE 83 2.216 6.783 -3.769 660 HA PRO 84 HA PRO 84 5.637 1.469 -7.006 661 HB2 PRO 84 2HB PRO 84 7.662 1.951 -8.899 662 HB3 PRO 84 3HB PRO 84 5.927 2.157 -9.154 663 HG2 PRO 84 2HG PRO 84 7.997 4.196 -8.459 664 HG3 PRO 84 3HG PRO 84 6.587 4.344 -9.522 665 HD2 PRO 84 2HD PRO 84 6.573 5.411 -7.075 666 HD3 PRO 84 3HD PRO 84 5.114 4.641 -7.738 667 H GLN 85 H GLN 85 8.832 3.037 -6.556 668 HA GLN 85 HA GLN 85 10.307 0.657 -6.199 669 HB2 GLN 85 2HB GLN 85 10.818 3.511 -5.352 670 HB3 GLN 85 3HB GLN 85 11.966 2.222 -5.017 671 HG2 GLN 85 2HG GLN 85 11.008 3.002 -7.769 672 HG3 GLN 85 3HG GLN 85 12.521 3.530 -7.034 673 HE21 GLN 85 1HE2 GLN 85 10.832 0.879 -8.503 674 HE22 GLN 85 2HE2 GLN 85 12.196 -0.167 -8.645 675 H LEU 86 H LEU 86 8.720 2.796 -3.850 676 HA LEU 86 HA LEU 86 9.596 1.604 -1.483 677 HB2 LEU 86 2HB LEU 86 8.425 3.732 -1.536 678 HB3 LEU 86 3HB LEU 86 6.974 2.954 -2.134 679 HG LEU 86 HG LEU 86 6.756 1.745 0.025 680 HD11 LEU 86 1HD1 LEU 86 9.084 1.691 0.705 681 HD12 LEU 86 2HD1 LEU 86 8.104 2.471 1.947 682 HD13 LEU 86 3HD1 LEU 86 9.102 3.448 0.867 683 HD21 LEU 86 3HD2 LEU 86 6.931 4.754 0.249 684 HD22 LEU 86 1HD2 LEU 86 6.046 3.689 1.342 685 HD23 LEU 86 2HD2 LEU 86 5.549 3.830 -0.342 686 H ILE 87 H ILE 87 6.524 1.001 -3.203 687 HA ILE 87 HA ILE 87 5.736 -1.163 -1.543 688 HB ILE 87 HB ILE 87 4.788 -0.448 -4.326 689 HG12 ILE 87 2HG1 ILE 87 4.460 1.378 -2.717 690 HG13 ILE 87 3HG1 ILE 87 2.916 0.660 -3.162 691 HG21 ILE 87 1HG2 ILE 87 2.771 -1.741 -3.762 692 HG22 ILE 87 2HG2 ILE 87 3.521 -2.240 -2.245 693 HG23 ILE 87 3HG2 ILE 87 4.214 -2.752 -3.784 694 HD11 ILE 87 3HD1 ILE 87 2.933 -0.610 -1.051 695 HD12 ILE 87 1HD1 ILE 87 2.966 1.136 -0.800 696 HD13 ILE 87 2HD1 ILE 87 4.441 0.189 -0.606 697 H ASP 88 H ASP 88 7.093 -1.126 -4.859 698 HA ASP 88 HA ASP 88 7.042 -3.884 -5.303 699 HB2 ASP 88 2HB ASP 88 7.410 -2.210 -7.072 700 HB3 ASP 88 3HB ASP 88 9.008 -1.864 -6.416 701 H HIS 89 H HIS 89 9.688 -1.891 -3.944 702 HA HIS 89 HA HIS 89 11.554 -3.974 -3.704 703 HB2 HIS 89 2HB HIS 89 12.105 -1.556 -3.448 704 HB3 HIS 89 3HB HIS 89 11.313 -1.574 -1.875 705 HD1 HIS 89 HD1 HIS 89 14.257 -3.196 -3.649 706 HD2 HIS 89 HD2 HIS 89 12.934 -2.338 0.200 707 HE1 HIS 89 HE1 HIS 89 16.158 -3.804 -2.132 708 HE2 HIS 89 HE2 HIS 89 15.279 -3.433 0.195 709 H HIS 90 H HIS 90 9.092 -2.828 -1.368 710 HA HIS 90 HA HIS 90 9.759 -4.751 0.636 711 HB2 HIS 90 2HB HIS 90 7.327 -3.041 0.151 712 HB3 HIS 90 3HB HIS 90 7.343 -4.245 1.434 713 HD1 HIS 90 HD1 HIS 90 8.588 -0.865 0.577 714 HD2 HIS 90 HD2 HIS 90 9.170 -3.706 3.546 715 HE1 HIS 90 HE1 HIS 90 9.758 0.341 2.442 716 HE2 HIS 90 HE2 HIS 90 9.910 -1.351 4.295 717 H TYR 91 H TYR 91 7.491 -4.810 -2.069 718 HA TYR 91 HA TYR 91 6.147 -7.204 -1.424 719 HB2 TYR 91 2HB TYR 91 5.297 -5.619 -3.086 720 HB3 TYR 91 3HB TYR 91 6.679 -5.935 -4.125 721 HD1 TYR 91 HD1 TYR 91 3.591 -7.426 -2.717 722 HD2 TYR 91 HD2 TYR 91 6.697 -7.810 -5.610 723 HE1 TYR 91 HE1 TYR 91 2.340 -9.233 -3.818 724 HE2 TYR 91 HE2 TYR 91 5.452 -9.620 -6.711 725 HH TYR 91 HH TYR 91 3.721 -11.316 -6.055 726 H THR 92 H THR 92 9.029 -6.606 -3.415 727 HA THR 92 HA THR 92 9.426 -9.331 -4.165 728 HB THR 92 HB THR 92 11.713 -8.563 -4.873 729 HG1 THR 92 HG1 THR 92 10.967 -5.900 -4.456 730 HG21 THR 92 3HG2 THR 92 9.813 -8.460 -6.418 731 HG22 THR 92 1HG2 THR 92 10.908 -7.103 -6.676 732 HG23 THR 92 2HG2 THR 92 9.393 -6.860 -5.806 733 H THR 93 H THR 93 10.974 -7.263 -1.690 734 HA THR 93 HA THR 93 12.626 -9.395 -0.682 735 HB THR 93 HB THR 93 13.204 -7.865 1.154 736 HG1 THR 93 HG1 THR 93 11.689 -5.787 0.061 737 HG21 THR 93 3HG2 THR 93 14.180 -6.052 -0.193 738 HG22 THR 93 1HG2 THR 93 13.148 -6.508 -1.548 739 HG23 THR 93 2HG2 THR 93 14.390 -7.621 -0.972 740 H LYS 94 H LYS 94 9.367 -8.631 -0.293 741 HA LYS 94 HA LYS 94 7.683 -9.526 0.918 742 HB2 LYS 94 2HB LYS 94 9.298 -11.611 0.420 743 HB3 LYS 94 3HB LYS 94 9.408 -11.610 2.175 744 HG2 LYS 94 2HG LYS 94 7.664 -13.125 1.432 745 HG3 LYS 94 3HG LYS 94 6.956 -11.771 2.317 746 HD2 LYS 94 2HD LYS 94 6.341 -10.685 0.225 747 HD3 LYS 94 3HD LYS 94 7.127 -11.968 -0.697 748 HE2 LYS 94 2HE LYS 94 5.523 -13.588 0.261 749 HE3 LYS 94 3HE LYS 94 4.712 -12.260 1.094 750 HZ1 LYS 94 3HZ LYS 94 5.048 -12.447 -1.846 751 HZ2 LYS 94 1HZ LYS 94 4.161 -11.278 -1.005 752 HZ3 LYS 94 2HZ LYS 94 3.646 -12.892 -1.016 753 H GLN 95 H GLN 95 9.334 -7.457 2.079 754 HA GLN 95 HA GLN 95 9.447 -8.046 4.929 755 HB2 GLN 95 2HB GLN 95 10.156 -5.548 3.372 756 HB3 GLN 95 3HB GLN 95 10.348 -5.718 5.112 757 HG2 GLN 95 2HG GLN 95 11.706 -7.437 3.046 758 HG3 GLN 95 3HG GLN 95 12.442 -6.063 3.864 759 HE21 GLN 95 1HE2 GLN 95 11.305 -6.595 6.444 760 HE22 GLN 95 2HE2 GLN 95 12.091 -8.004 7.055 761 H VAL 96 H VAL 96 8.460 -6.583 6.512 762 HA VAL 96 HA VAL 96 5.659 -6.290 5.949 763 HB VAL 96 HB VAL 96 5.416 -5.643 8.291 764 HG11 VAL 96 1HG1 VAL 96 7.315 -7.973 7.975 765 HG12 VAL 96 2HG1 VAL 96 5.570 -8.027 7.718 766 HG13 VAL 96 3HG1 VAL 96 6.214 -7.697 9.327 767 HG21 VAL 96 3HG2 VAL 96 7.351 -5.502 9.789 768 HG22 VAL 96 1HG2 VAL 96 7.432 -4.272 8.525 769 HG23 VAL 96 2HG2 VAL 96 8.437 -5.718 8.416 770 H ILE 97 H ILE 97 4.390 -4.399 6.202 771 HA ILE 97 HA ILE 97 5.526 -1.964 5.220 772 HB ILE 97 HB ILE 97 2.786 -2.509 6.389 773 HG12 ILE 97 2HG1 ILE 97 3.227 -3.821 4.375 774 HG13 ILE 97 3HG1 ILE 97 2.050 -2.558 4.029 775 HG21 ILE 97 1HG2 ILE 97 3.703 -0.124 4.775 776 HG22 ILE 97 2HG2 ILE 97 3.361 -0.122 6.504 777 HG23 ILE 97 3HG2 ILE 97 2.064 -0.430 5.352 778 HD11 ILE 97 3HD1 ILE 97 3.655 -2.800 2.224 779 HD12 ILE 97 1HD1 ILE 97 4.981 -2.473 3.339 780 HD13 ILE 97 2HD1 ILE 97 3.796 -1.215 2.981 781 H THR 98 H THR 98 3.858 -2.668 8.299 782 HA THR 98 HA THR 98 5.706 -0.823 9.680 783 HB THR 98 HB THR 98 3.891 -0.091 11.161 784 HG1 THR 98 HG1 THR 98 1.740 -0.722 10.704 785 HG21 THR 98 3HG2 THR 98 3.117 0.265 8.258 786 HG22 THR 98 1HG2 THR 98 4.321 1.227 9.116 787 HG23 THR 98 2HG2 THR 98 2.627 1.296 9.602 788 H LYS 99 H LYS 99 6.461 -1.514 11.649 789 HA LYS 99 HA LYS 99 6.316 -4.271 12.300 790 HB2 LYS 99 2HB LYS 99 7.305 -1.926 13.941 791 HB3 LYS 99 3HB LYS 99 7.569 -3.617 14.353 792 HG2 LYS 99 2HG LYS 99 8.570 -2.254 11.853 793 HG3 LYS 99 3HG LYS 99 9.531 -2.583 13.297 794 HD2 LYS 99 2HD LYS 99 9.135 -5.000 12.988 795 HD3 LYS 99 3HD LYS 99 8.214 -4.652 11.523 796 HE2 LYS 99 2HE LYS 99 10.525 -5.345 11.033 797 HE3 LYS 99 3HE LYS 99 10.186 -3.711 10.469 798 HZ1 LYS 99 3HZ LYS 99 11.538 -4.324 13.036 799 HZ2 LYS 99 1HZ LYS 99 11.356 -2.807 12.316 800 HZ3 LYS 99 2HZ LYS 99 12.357 -3.968 11.602 801 H LYS 100 H LYS 100 4.470 -1.512 13.296 802 HA LYS 100 HA LYS 100 3.342 -2.648 15.665 803 HB2 LYS 100 2HB LYS 100 2.360 -0.347 13.960 804 HB3 LYS 100 3HB LYS 100 1.828 -0.713 15.598 805 HG2 LYS 100 2HG LYS 100 4.063 -0.268 16.450 806 HG3 LYS 100 3HG LYS 100 4.649 0.018 14.810 807 HD2 LYS 100 2HD LYS 100 3.088 1.923 14.613 808 HD3 LYS 100 3HD LYS 100 2.567 1.651 16.278 809 HE2 LYS 100 2HE LYS 100 4.235 3.455 16.102 810 HE3 LYS 100 3HE LYS 100 4.813 2.111 17.084 811 HZ1 LYS 100 3HZ LYS 100 6.448 3.028 15.458 812 HZ2 LYS 100 1HZ LYS 100 5.477 2.426 14.210 813 HZ3 LYS 100 2HZ LYS 100 6.182 1.364 15.319 814 H SER 101 H SER 101 2.666 -3.070 12.326 815 HA SER 101 HA SER 101 0.058 -4.313 12.983 816 HB2 SER 101 2HB SER 101 -0.144 -2.342 11.483 817 HB3 SER 101 3HB SER 101 0.893 -3.152 10.313 818 HG SER 101 HG SER 101 -0.965 -4.886 10.829 819 H GLY 102 H GLY 102 3.188 -4.802 11.584 820 HA2 GLY 102 2HA GLY 102 4.271 -6.687 10.852 821 HA3 GLY 102 3HA GLY 102 3.091 -7.575 11.793 822 H VAL 103 H VAL 103 2.265 -5.593 8.984 823 HA VAL 103 HA VAL 103 1.144 -7.980 7.712 824 HB VAL 103 HB VAL 103 0.793 -5.064 6.969 825 HG11 VAL 103 1HG1 VAL 103 -1.067 -5.869 5.572 826 HG12 VAL 103 2HG1 VAL 103 -0.645 -7.531 5.978 827 HG13 VAL 103 3HG1 VAL 103 0.479 -6.540 5.049 828 HG21 VAL 103 3HG2 VAL 103 -0.178 -5.590 9.155 829 HG22 VAL 103 1HG2 VAL 103 -1.065 -6.940 8.444 830 HG23 VAL 103 2HG2 VAL 103 -1.438 -5.285 7.959 831 H VAL 104 H VAL 104 1.860 -8.850 5.859 832 HA VAL 104 HA VAL 104 4.142 -7.592 4.469 833 HB VAL 104 HB VAL 104 3.296 -10.502 4.446 834 HG11 VAL 104 1HG1 VAL 104 5.816 -9.198 3.404 835 HG12 VAL 104 2HG1 VAL 104 4.494 -9.824 2.418 836 HG13 VAL 104 3HG1 VAL 104 5.462 -10.927 3.394 837 HG21 VAL 104 3HG2 VAL 104 4.067 -9.893 6.660 838 HG22 VAL 104 1HG2 VAL 104 5.517 -9.146 5.983 839 HG23 VAL 104 2HG2 VAL 104 5.284 -10.891 5.865 840 H LEU 105 H LEU 105 4.204 -7.738 2.116 841 HA LEU 105 HA LEU 105 1.547 -7.423 0.942 842 HB2 LEU 105 2HB LEU 105 4.277 -6.873 -0.233 843 HB3 LEU 105 3HB LEU 105 2.741 -6.456 -0.973 844 HG LEU 105 HG LEU 105 3.844 -5.300 1.599 845 HD11 LEU 105 1HD1 LEU 105 4.007 -3.218 0.325 846 HD12 LEU 105 2HD1 LEU 105 3.469 -4.060 -1.128 847 HD13 LEU 105 3HD1 LEU 105 5.009 -4.487 -0.382 848 HD21 LEU 105 3HD2 LEU 105 1.411 -5.467 1.686 849 HD22 LEU 105 1HD2 LEU 105 1.286 -4.662 0.120 850 HD23 LEU 105 2HD2 LEU 105 1.916 -3.787 1.518 851 H LEU 106 H LEU 106 0.587 -9.114 -0.019 852 HA LEU 106 HA LEU 106 2.126 -10.681 -1.949 853 HB2 LEU 106 2HB LEU 106 0.996 -12.792 -1.226 854 HB3 LEU 106 3HB LEU 106 2.212 -12.182 -0.124 855 HG LEU 106 HG LEU 106 -0.720 -11.646 0.335 856 HD11 LEU 106 1HD1 LEU 106 0.857 -14.038 1.297 857 HD12 LEU 106 2HD1 LEU 106 -0.456 -14.071 0.119 858 HD13 LEU 106 3HD1 LEU 106 -0.783 -13.610 1.789 859 HD21 LEU 106 3HD2 LEU 106 0.847 -10.308 1.639 860 HD22 LEU 106 1HD2 LEU 106 1.674 -11.770 2.180 861 HD23 LEU 106 2HD2 LEU 106 0.010 -11.460 2.678 862 H ASN 107 H ASN 107 0.882 -11.720 -3.562 863 HA ASN 107 HA ASN 107 -0.542 -11.311 -5.322 864 HB2 ASN 107 2HB ASN 107 -2.770 -12.422 -4.836 865 HB3 ASN 107 3HB ASN 107 -1.320 -13.367 -4.543 866 HD21 ASN 107 1HD2 ASN 107 -2.716 -10.893 -2.394 867 HD22 ASN 107 2HD2 ASN 107 -3.062 -11.996 -1.119 868 HA PRO 108 HA PRO 108 -2.618 -7.315 -4.267 869 HB2 PRO 108 2HB PRO 108 -1.610 -5.906 -6.342 870 HB3 PRO 108 3HB PRO 108 -0.716 -6.134 -4.835 871 HG2 PRO 108 2HG PRO 108 -0.444 -7.598 -7.438 872 HG3 PRO 108 3HG PRO 108 0.829 -6.982 -6.364 873 HD2 PRO 108 2HD PRO 108 0.050 -9.596 -6.401 874 HD3 PRO 108 3HD PRO 108 0.684 -8.799 -4.948 875 H ILE 109 H ILE 109 -4.409 -6.348 -5.323 876 HA ILE 109 HA ILE 109 -5.637 -8.011 -7.373 877 HB ILE 109 HB ILE 109 -6.749 -5.570 -5.972 878 HG12 ILE 109 2HG1 ILE 109 -6.304 -7.243 -4.312 879 HG13 ILE 109 3HG1 ILE 109 -8.032 -7.276 -4.633 880 HG21 ILE 109 1HG2 ILE 109 -8.125 -7.699 -7.618 881 HG22 ILE 109 2HG2 ILE 109 -7.904 -6.004 -8.060 882 HG23 ILE 109 3HG2 ILE 109 -8.942 -6.432 -6.700 883 HD11 ILE 109 3HD1 ILE 109 -7.107 -9.513 -4.386 884 HD12 ILE 109 1HD1 ILE 109 -6.004 -9.216 -5.729 885 HD13 ILE 109 2HD1 ILE 109 -7.744 -9.264 -6.014 886 HA PRO 110 HA PRO 110 -4.058 -5.476 -10.696 887 HB2 PRO 110 2HB PRO 110 -6.244 -6.740 -12.263 888 HB3 PRO 110 3HB PRO 110 -4.503 -6.717 -12.567 889 HG2 PRO 110 2HG PRO 110 -5.705 -8.931 -11.690 890 HG3 PRO 110 3HG PRO 110 -4.092 -8.477 -11.106 891 HD2 PRO 110 2HD PRO 110 -6.756 -8.163 -9.757 892 HD3 PRO 110 3HD PRO 110 -5.201 -8.677 -9.069 893 H LYS 111 H LYS 111 -4.667 -3.780 -12.120 894 HA LYS 111 HA LYS 111 -7.028 -2.275 -11.297 895 HB2 LYS 111 2HB LYS 111 -6.027 -0.421 -12.547 896 HB3 LYS 111 3HB LYS 111 -4.852 -1.124 -11.441 897 HG2 LYS 111 2HG LYS 111 -3.745 -2.267 -13.236 898 HG3 LYS 111 3HG LYS 111 -5.009 -1.800 -14.375 899 HD2 LYS 111 2HD LYS 111 -4.382 0.570 -14.079 900 HD3 LYS 111 3HD LYS 111 -3.096 0.080 -12.970 901 HE2 LYS 111 2HE LYS 111 -1.985 -1.144 -14.742 902 HE3 LYS 111 3HE LYS 111 -3.307 -0.795 -15.857 903 HZ1 LYS 111 3HZ LYS 111 -2.758 1.546 -15.719 904 HZ2 LYS 111 1HZ LYS 111 -1.406 0.661 -16.214 905 HZ3 LYS 111 2HZ LYS 111 -1.518 1.229 -14.624 906 H ASP 112 H ASP 112 -7.868 -0.870 -13.377 907 HA ASP 112 HA ASP 112 -8.157 -2.480 -15.772 908 HB2 ASP 112 2HB ASP 112 -9.930 -3.213 -14.003 909 HB3 ASP 112 3HB ASP 112 -10.720 -1.690 -14.389 910 H LYS 113 H LYS 113 -9.805 -1.261 -17.324 911 HA LYS 113 HA LYS 113 -8.972 1.559 -17.307 912 HB2 LYS 113 2HB LYS 113 -9.910 -0.275 -19.513 913 HB3 LYS 113 3HB LYS 113 -9.773 1.461 -19.742 914 HG2 LYS 113 2HG LYS 113 -7.543 -0.460 -19.084 915 HG3 LYS 113 3HG LYS 113 -7.807 0.396 -20.605 916 HD2 LYS 113 2HD LYS 113 -7.630 2.546 -19.171 917 HD3 LYS 113 3HD LYS 113 -6.907 1.493 -17.953 918 HE2 LYS 113 2HE LYS 113 -5.159 2.523 -19.250 919 HE3 LYS 113 3HE LYS 113 -5.210 0.800 -19.623 920 HZ1 LYS 113 3HZ LYS 113 -6.551 2.860 -21.285 921 HZ2 LYS 113 1HZ LYS 113 -6.266 1.238 -21.679 922 HZ3 LYS 113 2HZ LYS 113 -4.977 2.325 -21.577 923 H LYS 114 H LYS 114 -11.341 0.386 -15.799 924 HA LYS 114 HA LYS 114 -13.656 1.570 -17.013 925 HB2 LYS 114 2HB LYS 114 -13.187 0.634 -14.173 926 HB3 LYS 114 3HB LYS 114 -14.745 1.128 -14.821 927 HG2 LYS 114 2HG LYS 114 -13.095 -1.191 -15.823 928 HG3 LYS 114 3HG LYS 114 -14.493 -1.311 -14.755 929 HD2 LYS 114 2HD LYS 114 -15.931 -0.381 -16.488 930 HD3 LYS 114 3HD LYS 114 -14.542 -0.161 -17.552 931 HE2 LYS 114 2HE LYS 114 -15.545 -2.817 -16.516 932 HE3 LYS 114 3HE LYS 114 -15.859 -2.165 -18.124 933 HZ1 LYS 114 3HZ LYS 114 -14.020 -3.759 -18.096 934 HZ2 LYS 114 1HZ LYS 114 -13.161 -2.761 -17.034 935 HZ3 LYS 114 2HZ LYS 114 -13.513 -2.228 -18.601 936 H TRP 115 H TRP 115 -12.816 3.701 -17.458 937 HA TRP 115 HA TRP 115 -12.271 5.467 -15.211 938 HB2 TRP 115 2HB TRP 115 -12.492 6.145 -18.155 939 HB3 TRP 115 3HB TRP 115 -11.810 7.166 -16.896 940 HD1 TRP 115 HD1 TRP 115 -10.829 4.691 -19.453 941 HE1 TRP 115 HE1 TRP 115 -8.379 3.982 -19.147 942 HE3 TRP 115 HE3 TRP 115 -10.009 6.633 -14.794 943 HZ2 TRP 115 HZ2 TRP 115 -6.360 4.212 -17.181 944 HZ3 TRP 115 HZ3 TRP 115 -7.788 6.342 -13.771 945 HH2 TRP 115 HH2 TRP 115 -6.005 5.157 -14.939 946 H ILE 116 H ILE 116 -15.045 4.268 -16.298 947 HA ILE 116 HA ILE 116 -16.744 6.248 -17.120 948 HB ILE 116 HB ILE 116 -18.510 4.803 -15.646 949 HG12 ILE 116 2HG1 ILE 116 -17.797 2.423 -15.689 950 HG13 ILE 116 3HG1 ILE 116 -16.184 2.913 -16.169 951 HG21 ILE 116 1HG2 ILE 116 -17.269 3.949 -18.263 952 HG22 ILE 116 2HG2 ILE 116 -18.554 5.140 -18.061 953 HG23 ILE 116 3HG2 ILE 116 -18.847 3.449 -17.652 954 HD11 ILE 116 3HD1 ILE 116 -17.525 3.576 -13.558 955 HD12 ILE 116 1HD1 ILE 116 -15.891 4.041 -14.029 956 HD13 ILE 116 2HD1 ILE 116 -16.294 2.339 -13.815 Start of MODEL 18 1 H1 MET 1 1H MET 1 -7.834 -19.995 -25.185 2 H2 MET 1 2H MET 1 -8.657 -20.074 -26.657 3 H3 MET 1 3H MET 1 -8.620 -18.624 -25.790 4 HA MET 1 HA MET 1 -6.299 -19.974 -27.041 5 HB2 MET 1 2HB MET 1 -7.689 -17.383 -27.769 6 HB3 MET 1 3HB MET 1 -6.237 -18.010 -28.538 7 HG2 MET 1 2HG MET 1 -7.531 -19.985 -29.276 8 HG3 MET 1 3HG MET 1 -8.982 -19.250 -28.593 9 HE1 MET 1 3HE MET 1 -9.156 -15.930 -30.788 10 HE2 MET 1 1HE MET 1 -8.271 -16.135 -29.276 11 HE3 MET 1 2HE MET 1 -9.896 -16.802 -29.444 12 H GLY 2 H GLY 2 -5.758 -19.720 -24.543 13 HA2 GLY 2 2HA GLY 2 -4.663 -17.050 -23.985 14 HA3 GLY 2 3HA GLY 2 -4.801 -18.377 -22.842 15 H HIS 3 H HIS 3 -2.461 -16.828 -23.193 16 HA HIS 3 HA HIS 3 -0.605 -18.979 -23.882 17 HB2 HIS 3 2HB HIS 3 0.849 -17.382 -25.167 18 HB3 HIS 3 3HB HIS 3 -0.671 -17.780 -25.959 19 HD1 HIS 3 HD1 HIS 3 -2.282 -15.885 -26.433 20 HD2 HIS 3 HD2 HIS 3 0.983 -14.705 -24.152 21 HE1 HIS 3 HE1 HIS 3 -2.379 -13.383 -26.370 22 HE2 HIS 3 HE2 HIS 3 -0.276 -12.695 -25.178 23 H HIS 4 H HIS 4 1.594 -18.594 -23.100 24 HA HIS 4 HA HIS 4 1.794 -17.753 -20.476 25 HB2 HIS 4 2HB HIS 4 4.289 -17.696 -20.896 26 HB3 HIS 4 3HB HIS 4 3.479 -19.189 -21.355 27 HD1 HIS 4 HD1 HIS 4 3.515 -19.848 -23.815 28 HD2 HIS 4 HD2 HIS 4 5.212 -16.125 -23.093 29 HE1 HIS 4 HE1 HIS 4 4.612 -19.176 -25.969 30 HE2 HIS 4 HE2 HIS 4 5.453 -16.844 -25.563 31 H HIS 5 H HIS 5 2.066 -15.876 -19.448 32 HA HIS 5 HA HIS 5 2.878 -13.469 -20.913 33 HB2 HIS 5 2HB HIS 5 0.372 -13.671 -21.015 34 HB3 HIS 5 3HB HIS 5 0.339 -13.588 -19.259 35 HD1 HIS 5 HD1 HIS 5 -0.314 -11.340 -18.503 36 HD2 HIS 5 HD2 HIS 5 1.910 -11.179 -22.008 37 HE1 HIS 5 HE1 HIS 5 -0.143 -8.907 -19.078 38 HE2 HIS 5 HE2 HIS 5 1.042 -8.848 -21.292 39 H HIS 6 H HIS 6 4.499 -12.614 -19.756 40 HA HIS 6 HA HIS 6 4.427 -12.821 -16.802 41 HB2 HIS 6 2HB HIS 6 6.916 -12.846 -18.525 42 HB3 HIS 6 3HB HIS 6 6.828 -13.102 -16.786 43 HD1 HIS 6 HD1 HIS 6 6.545 -14.832 -20.029 44 HD2 HIS 6 HD2 HIS 6 5.755 -15.655 -16.036 45 HE1 HIS 6 HE1 HIS 6 6.272 -17.323 -19.899 46 HE2 HIS 6 HE2 HIS 6 6.043 -17.804 -17.444 47 H HIS 7 H HIS 7 5.191 -11.053 -15.598 48 HA HIS 7 HA HIS 7 5.387 -8.524 -17.085 49 HB2 HIS 7 2HB HIS 7 4.970 -9.070 -14.134 50 HB3 HIS 7 3HB HIS 7 5.119 -7.460 -14.831 51 HD1 HIS 7 HD1 HIS 7 2.653 -9.954 -13.975 52 HD2 HIS 7 HD2 HIS 7 2.977 -6.924 -16.801 53 HE1 HIS 7 HE1 HIS 7 0.311 -9.533 -14.779 54 HE2 HIS 7 HE2 HIS 7 0.517 -7.572 -16.345 55 H HIS 8 H HIS 8 7.503 -8.606 -17.842 56 HA HIS 8 HA HIS 8 9.520 -8.000 -15.790 57 HB2 HIS 8 2HB HIS 8 9.900 -9.865 -18.145 58 HB3 HIS 8 3HB HIS 8 11.236 -9.190 -17.217 59 HD1 HIS 8 HD1 HIS 8 11.027 -9.752 -14.507 60 HD2 HIS 8 HD2 HIS 8 9.034 -12.252 -17.168 61 HE1 HIS 8 HE1 HIS 8 10.589 -11.874 -13.241 62 HE2 HIS 8 HE2 HIS 8 9.233 -13.296 -14.808 63 H SER 9 H SER 9 9.714 -5.871 -16.111 64 HA SER 9 HA SER 9 11.024 -4.905 -18.477 65 HB2 SER 9 2HB SER 9 8.687 -4.860 -19.279 66 HB3 SER 9 3HB SER 9 8.222 -3.890 -17.882 67 HG SER 9 HG SER 9 9.028 -2.988 -20.182 68 H HIS 10 H HIS 10 10.821 -2.228 -18.228 69 HA HIS 10 HA HIS 10 12.208 -1.673 -15.781 70 HB2 HIS 10 2HB HIS 10 12.443 0.577 -16.601 71 HB3 HIS 10 3HB HIS 10 12.674 -0.518 -17.960 72 HD1 HIS 10 HD1 HIS 10 10.833 2.418 -16.953 73 HD2 HIS 10 HD2 HIS 10 10.225 -0.694 -19.640 74 HE1 HIS 10 HE1 HIS 10 9.043 3.215 -18.513 75 HE2 HIS 10 HE2 HIS 10 8.802 1.385 -20.214 76 H MET 11 H MET 11 11.533 0.332 -14.444 77 HA MET 11 HA MET 11 9.107 -0.354 -13.149 78 HB2 MET 11 2HB MET 11 11.061 0.603 -11.973 79 HB3 MET 11 3HB MET 11 10.794 2.136 -12.792 80 HG2 MET 11 2HG MET 11 8.602 2.325 -11.696 81 HG3 MET 11 3HG MET 11 8.898 0.801 -10.864 82 HE1 MET 11 3HE MET 11 11.409 3.763 -11.630 83 HE2 MET 11 1HE MET 11 11.277 4.691 -10.138 84 HE3 MET 11 2HE MET 11 9.893 4.566 -11.222 85 H LYS 12 H LYS 12 7.286 -0.098 -14.387 86 HA LYS 12 HA LYS 12 6.528 2.197 -15.827 87 HB2 LYS 12 2HB LYS 12 4.993 -0.034 -14.510 88 HB3 LYS 12 3HB LYS 12 4.134 1.321 -15.223 89 HG2 LYS 12 2HG LYS 12 6.037 -0.502 -16.695 90 HG3 LYS 12 3HG LYS 12 4.275 -0.601 -16.735 91 HD2 LYS 12 2HD LYS 12 4.327 1.825 -17.565 92 HD3 LYS 12 3HD LYS 12 6.054 1.575 -17.824 93 HE2 LYS 12 2HE LYS 12 4.925 1.177 -19.897 94 HE3 LYS 12 3HE LYS 12 5.480 -0.376 -19.278 95 HZ1 LYS 12 3HZ LYS 12 3.266 -0.872 -18.525 96 HZ2 LYS 12 1HZ LYS 12 3.199 -0.427 -20.157 97 HZ3 LYS 12 2HZ LYS 12 2.715 0.667 -18.963 98 HA PRO 13 HA PRO 13 5.512 5.235 -12.707 99 HB2 PRO 13 2HB PRO 13 3.269 6.381 -13.818 100 HB3 PRO 13 3HB PRO 13 4.922 6.740 -14.331 101 HG2 PRO 13 2HG PRO 13 2.938 4.837 -15.536 102 HG3 PRO 13 3HG PRO 13 4.003 6.002 -16.349 103 HD2 PRO 13 2HD PRO 13 4.628 3.401 -16.257 104 HD3 PRO 13 3HD PRO 13 5.884 4.647 -16.093 105 H LEU 14 H LEU 14 3.638 6.006 -11.327 106 HA LEU 14 HA LEU 14 2.658 3.833 -9.863 107 HB2 LEU 14 2HB LEU 14 3.088 6.088 -8.950 108 HB3 LEU 14 3HB LEU 14 1.701 6.701 -9.831 109 HG LEU 14 HG LEU 14 0.205 5.295 -8.476 110 HD11 LEU 14 1HD1 LEU 14 2.716 4.478 -7.011 111 HD12 LEU 14 2HD1 LEU 14 1.712 3.438 -8.023 112 HD13 LEU 14 3HD1 LEU 14 1.065 4.097 -6.521 113 HD21 LEU 14 3HD2 LEU 14 2.088 6.975 -6.820 114 HD22 LEU 14 1HD2 LEU 14 0.447 6.503 -6.373 115 HD23 LEU 14 2HD2 LEU 14 0.712 7.573 -7.749 116 H ALA 15 H ALA 15 0.986 5.935 -12.200 117 HA ALA 15 HA ALA 15 -1.605 4.879 -11.849 118 HB1 ALA 15 3HB ALA 15 -1.164 7.005 -12.976 119 HB2 ALA 15 1HB ALA 15 -2.146 5.937 -13.978 120 HB3 ALA 15 2HB ALA 15 -0.428 6.140 -14.325 121 H GLU 16 H GLU 16 1.132 3.576 -13.516 122 HA GLU 16 HA GLU 16 -0.447 1.705 -15.082 123 HB2 GLU 16 2HB GLU 16 2.516 2.178 -14.781 124 HB3 GLU 16 3HB GLU 16 1.882 0.804 -15.678 125 HG2 GLU 16 2HG GLU 16 1.159 3.663 -16.304 126 HG3 GLU 16 3HG GLU 16 2.512 2.811 -17.049 127 H GLN 17 H GLN 17 1.294 1.751 -12.061 128 HA GLN 17 HA GLN 17 1.747 -0.974 -11.650 129 HB2 GLN 17 2HB GLN 17 1.088 1.169 -9.614 130 HB3 GLN 17 3HB GLN 17 1.743 -0.418 -9.227 131 HG2 GLN 17 2HG GLN 17 3.113 1.643 -10.949 132 HG3 GLN 17 3HG GLN 17 3.444 1.366 -9.240 133 HE21 GLN 17 1HE2 GLN 17 5.181 1.113 -11.607 134 HE22 GLN 17 2HE2 GLN 17 5.786 -0.503 -11.563 135 H ASP 18 H ASP 18 0.446 -2.666 -11.341 136 HA ASP 18 HA ASP 18 -2.315 -2.456 -11.709 137 HB2 ASP 18 2HB ASP 18 -0.780 -4.807 -10.584 138 HB3 ASP 18 3HB ASP 18 -2.399 -4.864 -11.279 139 H TRP 19 H TRP 19 -0.467 -2.592 -8.733 140 HA TRP 19 HA TRP 19 -2.771 -3.090 -7.076 141 HB2 TRP 19 2HB TRP 19 -1.074 -2.470 -5.204 142 HB3 TRP 19 3HB TRP 19 -0.856 -3.961 -6.106 143 HD1 TRP 19 HD1 TRP 19 1.365 -4.262 -7.423 144 HE1 TRP 19 HE1 TRP 19 3.494 -2.850 -7.701 145 HE3 TRP 19 HE3 TRP 19 -0.291 0.119 -5.367 146 HZ2 TRP 19 HZ2 TRP 19 4.359 -0.230 -7.127 147 HZ3 TRP 19 HZ3 TRP 19 1.256 2.029 -5.269 148 HH2 TRP 19 HH2 TRP 19 3.532 1.858 -6.130 149 H TYR 20 H TYR 20 -1.667 -0.307 -8.618 150 HA TYR 20 HA TYR 20 -2.765 1.500 -6.594 151 HB2 TYR 20 2HB TYR 20 -0.731 2.224 -7.756 152 HB3 TYR 20 3HB TYR 20 -1.554 2.098 -9.308 153 HD1 TYR 20 HD2 TYR 20 -1.674 3.906 -6.045 154 HD2 TYR 20 HD1 TYR 20 -2.732 3.954 -10.171 155 HE1 TYR 20 HE2 TYR 20 -2.441 6.231 -5.818 156 HE2 TYR 20 HE1 TYR 20 -3.502 6.277 -9.951 157 HH TYR 20 HH TYR 20 -2.765 8.226 -7.328 158 H HIS 21 H HIS 21 -4.853 2.159 -6.615 159 HA HIS 21 HA HIS 21 -6.420 1.649 -9.069 160 HB2 HIS 21 2HB HIS 21 -7.238 1.273 -6.185 161 HB3 HIS 21 3HB HIS 21 -8.376 1.237 -7.527 162 HD1 HIS 21 HD1 HIS 21 -8.926 -1.088 -8.145 163 HD2 HIS 21 HD2 HIS 21 -4.988 -0.744 -6.867 164 HE1 HIS 21 HE1 HIS 21 -7.976 -3.402 -8.264 165 HE2 HIS 21 HE2 HIS 21 -5.536 -3.118 -7.730 166 H GLY 22 H GLY 22 -5.547 4.006 -9.294 167 HA2 GLY 22 2HA GLY 22 -6.178 6.218 -9.575 168 HA3 GLY 22 3HA GLY 22 -7.597 5.397 -10.173 169 H ALA 23 H ALA 23 -6.503 5.965 -6.806 170 HA ALA 23 HA ALA 23 -7.407 7.162 -5.084 171 HB1 ALA 23 3HB ALA 23 -6.936 9.003 -6.656 172 HB2 ALA 23 1HB ALA 23 -8.308 9.342 -5.602 173 HB3 ALA 23 2HB ALA 23 -8.580 8.867 -7.278 174 H ILE 24 H ILE 24 -9.057 4.935 -6.203 175 HA ILE 24 HA ILE 24 -11.770 5.571 -6.347 176 HB ILE 24 HB ILE 24 -12.243 3.228 -5.868 177 HG12 ILE 24 2HG1 ILE 24 -9.304 2.977 -5.150 178 HG13 ILE 24 3HG1 ILE 24 -10.628 2.941 -3.991 179 HG21 ILE 24 1HG2 ILE 24 -11.456 3.801 -8.091 180 HG22 ILE 24 2HG2 ILE 24 -10.838 2.214 -7.630 181 HG23 ILE 24 3HG2 ILE 24 -9.779 3.625 -7.569 182 HD11 ILE 24 3HD1 ILE 24 -10.129 0.945 -6.188 183 HD12 ILE 24 1HD1 ILE 24 -11.493 0.914 -5.070 184 HD13 ILE 24 2HD1 ILE 24 -9.851 0.706 -4.464 185 HA PRO 25 HA PRO 25 -13.338 6.654 -2.334 186 HB2 PRO 25 2HB PRO 25 -15.303 4.430 -2.764 187 HB3 PRO 25 3HB PRO 25 -15.590 6.106 -2.276 188 HG2 PRO 25 2HG PRO 25 -16.084 5.358 -4.770 189 HG3 PRO 25 3HG PRO 25 -15.312 6.922 -4.444 190 HD2 PRO 25 2HD PRO 25 -14.089 4.381 -5.453 191 HD3 PRO 25 3HD PRO 25 -13.715 6.064 -5.885 192 H ARG 26 H ARG 26 -13.260 6.020 -0.177 193 HA ARG 26 HA ARG 26 -11.451 4.033 0.560 194 HB2 ARG 26 2HB ARG 26 -12.072 5.986 1.956 195 HB3 ARG 26 3HB ARG 26 -13.639 5.250 2.269 196 HG2 ARG 26 2HG ARG 26 -12.557 3.398 3.426 197 HG3 ARG 26 3HG ARG 26 -10.972 4.087 3.074 198 HD2 ARG 26 2HD ARG 26 -13.130 5.395 4.741 199 HD3 ARG 26 3HD ARG 26 -11.702 4.577 5.372 200 HE ARG 26 HE ARG 26 -11.377 6.891 3.596 201 HH11 ARG 26 1HH1 ARG 26 -11.007 5.452 6.700 202 HH12 ARG 26 2HH1 ARG 26 -9.998 6.727 7.291 203 HH21 ARG 26 1HH2 ARG 26 -10.054 8.503 4.349 204 HH22 ARG 26 2HH2 ARG 26 -9.444 8.423 5.965 205 H ILE 27 H ILE 27 -15.001 3.912 0.478 206 HA ILE 27 HA ILE 27 -15.394 1.351 1.530 207 HB ILE 27 HB ILE 27 -16.969 2.722 -0.667 208 HG12 ILE 27 2HG1 ILE 27 -17.441 2.618 2.330 209 HG13 ILE 27 3HG1 ILE 27 -16.849 4.013 1.435 210 HG21 ILE 27 1HG2 ILE 27 -18.821 1.226 -0.028 211 HG22 ILE 27 2HG2 ILE 27 -17.746 0.381 1.086 212 HG23 ILE 27 3HG2 ILE 27 -17.435 0.330 -0.649 213 HD11 ILE 27 3HD1 ILE 27 -19.211 4.227 1.961 214 HD12 ILE 27 1HD1 ILE 27 -19.552 2.726 1.101 215 HD13 ILE 27 2HD1 ILE 27 -18.959 4.134 0.218 216 H GLU 28 H GLU 28 -15.101 2.248 -1.926 217 HA GLU 28 HA GLU 28 -15.188 -0.312 -3.018 218 HB2 GLU 28 2HB GLU 28 -13.643 2.081 -4.046 219 HB3 GLU 28 3HB GLU 28 -14.102 0.674 -4.995 220 HG2 GLU 28 2HG GLU 28 -16.033 2.579 -3.685 221 HG3 GLU 28 3HG GLU 28 -15.555 2.627 -5.383 222 H ALA 29 H ALA 29 -12.496 1.430 -1.600 223 HA ALA 29 HA ALA 29 -10.401 -0.229 -2.555 224 HB1 ALA 29 3HB ALA 29 -10.478 1.534 -0.102 225 HB2 ALA 29 1HB ALA 29 -9.992 2.030 -1.723 226 HB3 ALA 29 2HB ALA 29 -9.027 0.852 -0.837 227 H GLN 30 H GLN 30 -12.377 -0.304 0.388 228 HA GLN 30 HA GLN 30 -10.928 -2.589 1.442 229 HB2 GLN 30 2HB GLN 30 -12.405 -2.470 3.342 230 HB3 GLN 30 3HB GLN 30 -11.865 -0.845 2.942 231 HG2 GLN 30 2HG GLN 30 -13.969 -0.304 1.964 232 HG3 GLN 30 3HG GLN 30 -14.519 -1.974 2.070 233 HE21 GLN 30 1HE2 GLN 30 -15.837 0.319 3.145 234 HE22 GLN 30 2HE2 GLN 30 -15.919 0.104 4.858 235 H GLU 31 H GLU 31 -13.799 -2.052 -0.454 236 HA GLU 31 HA GLU 31 -15.142 -4.478 0.185 237 HB2 GLU 31 2HB GLU 31 -15.461 -2.537 -2.101 238 HB3 GLU 31 3HB GLU 31 -16.508 -3.931 -1.871 239 HG2 GLU 31 2HG GLU 31 -16.117 -1.727 0.146 240 HG3 GLU 31 3HG GLU 31 -17.456 -1.821 -0.998 241 H LEU 32 H LEU 32 -12.689 -3.714 -2.211 242 HA LEU 32 HA LEU 32 -13.077 -6.178 -3.668 243 HB2 LEU 32 2HB LEU 32 -11.093 -5.572 -4.915 244 HB3 LEU 32 3HB LEU 32 -12.162 -4.196 -4.774 245 HG LEU 32 HG LEU 32 -10.589 -3.541 -2.762 246 HD11 LEU 32 1HD1 LEU 32 -8.252 -4.183 -3.159 247 HD12 LEU 32 2HD1 LEU 32 -8.774 -5.302 -4.417 248 HD13 LEU 32 3HD1 LEU 32 -9.252 -5.571 -2.741 249 HD21 LEU 32 3HD2 LEU 32 -9.190 -2.259 -4.332 250 HD22 LEU 32 1HD2 LEU 32 -10.900 -2.193 -4.752 251 HD23 LEU 32 2HD2 LEU 32 -9.807 -3.236 -5.665 252 H LEU 33 H LEU 33 -11.324 -5.193 -0.878 253 HA LEU 33 HA LEU 33 -9.385 -7.272 -0.755 254 HB2 LEU 33 2HB LEU 33 -10.628 -5.560 1.409 255 HB3 LEU 33 3HB LEU 33 -9.223 -6.577 1.639 256 HG LEU 33 HG LEU 33 -9.382 -4.194 -0.220 257 HD11 LEU 33 1HD1 LEU 33 -9.381 -3.532 2.122 258 HD12 LEU 33 2HD1 LEU 33 -7.855 -3.115 1.345 259 HD13 LEU 33 3HD1 LEU 33 -7.946 -4.517 2.413 260 HD21 LEU 33 3HD2 LEU 33 -7.051 -5.985 0.472 261 HD22 LEU 33 1HD2 LEU 33 -6.957 -4.496 -0.472 262 HD23 LEU 33 2HD2 LEU 33 -7.865 -5.875 -1.089 263 H LYS 34 H LYS 34 -9.645 -9.406 -0.197 264 HA LYS 34 HA LYS 34 -12.082 -10.177 1.280 265 HB2 LYS 34 2HB LYS 34 -12.492 -12.033 -0.299 266 HB3 LYS 34 3HB LYS 34 -12.660 -10.449 -1.040 267 HG2 LYS 34 2HG LYS 34 -10.409 -10.689 -2.019 268 HG3 LYS 34 3HG LYS 34 -10.297 -12.304 -1.315 269 HD2 LYS 34 2HD LYS 34 -10.948 -12.453 -3.652 270 HD3 LYS 34 3HD LYS 34 -12.277 -12.988 -2.622 271 HE2 LYS 34 2HE LYS 34 -13.090 -11.572 -4.436 272 HE3 LYS 34 3HE LYS 34 -13.356 -10.807 -2.872 273 HZ1 LYS 34 3HZ LYS 34 -12.503 -9.275 -4.580 274 HZ2 LYS 34 1HZ LYS 34 -11.085 -10.186 -4.684 275 HZ3 LYS 34 2HZ LYS 34 -11.471 -9.383 -3.246 276 H LYS 35 H LYS 35 -8.861 -11.230 0.160 277 HA LYS 35 HA LYS 35 -8.853 -13.214 2.357 278 HB2 LYS 35 2HB LYS 35 -7.110 -14.435 1.095 279 HB3 LYS 35 3HB LYS 35 -8.627 -14.326 0.212 280 HG2 LYS 35 2HG LYS 35 -7.763 -12.949 -1.396 281 HG3 LYS 35 3HG LYS 35 -6.569 -12.240 -0.309 282 HD2 LYS 35 2HD LYS 35 -6.432 -15.056 -1.406 283 HD3 LYS 35 3HD LYS 35 -5.584 -13.671 -2.095 284 HE2 LYS 35 2HE LYS 35 -4.458 -13.347 0.107 285 HE3 LYS 35 3HE LYS 35 -5.211 -14.841 0.663 286 HZ1 LYS 35 3HZ LYS 35 -4.068 -16.016 -1.129 287 HZ2 LYS 35 1HZ LYS 35 -2.972 -15.248 -0.098 288 HZ3 LYS 35 2HZ LYS 35 -3.320 -14.580 -1.608 289 H GLN 36 H GLN 36 -6.746 -13.608 3.399 290 HA GLN 36 HA GLN 36 -5.519 -11.180 4.214 291 HB2 GLN 36 2HB GLN 36 -5.634 -12.958 5.805 292 HB3 GLN 36 3HB GLN 36 -4.814 -14.073 4.719 293 HG2 GLN 36 2HG GLN 36 -2.730 -12.943 5.001 294 HG3 GLN 36 3HG GLN 36 -3.503 -11.611 5.861 295 HE21 GLN 36 1HE2 GLN 36 -3.961 -11.835 8.024 296 HE22 GLN 36 2HE2 GLN 36 -3.465 -13.193 8.964 297 H GLY 37 H GLY 37 -4.288 -10.036 2.876 298 HA2 GLY 37 2HA GLY 37 -1.826 -10.202 2.115 299 HA3 GLY 37 3HA GLY 37 -2.448 -11.445 1.041 300 H ASP 38 H ASP 38 -4.969 -10.005 0.545 301 HA ASP 38 HA ASP 38 -4.329 -8.597 -1.761 302 HB2 ASP 38 2HB ASP 38 -6.778 -8.255 -0.008 303 HB3 ASP 38 3HB ASP 38 -6.634 -7.690 -1.668 304 H PHE 39 H PHE 39 -3.607 -6.561 -2.168 305 HA PHE 39 HA PHE 39 -4.098 -4.452 -0.217 306 HB2 PHE 39 2HB PHE 39 -1.802 -3.759 -0.045 307 HB3 PHE 39 3HB PHE 39 -1.895 -5.461 0.388 308 HD1 PHE 39 HD1 PHE 39 -1.033 -7.183 -1.176 309 HD2 PHE 39 HD2 PHE 39 -0.542 -3.020 -1.932 310 HE1 PHE 39 HE1 PHE 39 0.724 -7.687 -2.824 311 HE2 PHE 39 HE2 PHE 39 1.210 -3.521 -3.581 312 HZ PHE 39 HZ PHE 39 1.846 -5.858 -4.030 313 H LEU 40 H LEU 40 -4.058 -2.364 -1.039 314 HA LEU 40 HA LEU 40 -3.174 -1.908 -3.778 315 HB2 LEU 40 2HB LEU 40 -5.212 -0.929 -4.554 316 HB3 LEU 40 3HB LEU 40 -5.578 -2.537 -3.962 317 HG LEU 40 HG LEU 40 -6.000 -0.138 -2.190 318 HD11 LEU 40 1HD1 LEU 40 -7.176 0.389 -4.244 319 HD12 LEU 40 2HD1 LEU 40 -8.324 -0.031 -2.973 320 HD13 LEU 40 3HD1 LEU 40 -7.946 -1.199 -4.240 321 HD21 LEU 40 3HD2 LEU 40 -7.366 -2.828 -2.338 322 HD22 LEU 40 1HD2 LEU 40 -7.669 -1.565 -1.145 323 HD23 LEU 40 2HD2 LEU 40 -6.107 -2.381 -1.189 324 H VAL 41 H VAL 41 -2.734 0.272 -4.260 325 HA VAL 41 HA VAL 41 -2.833 2.139 -1.975 326 HB VAL 41 HB VAL 41 -1.056 2.242 -4.435 327 HG11 VAL 41 1HG1 VAL 41 -1.111 4.050 -2.010 328 HG12 VAL 41 2HG1 VAL 41 -1.606 4.488 -3.644 329 HG13 VAL 41 3HG1 VAL 41 0.084 4.107 -3.307 330 HG21 VAL 41 3HG2 VAL 41 0.782 1.789 -2.852 331 HG22 VAL 41 1HG2 VAL 41 -0.379 0.464 -2.918 332 HG23 VAL 41 2HG2 VAL 41 -0.397 1.586 -1.557 333 H ARG 42 H ARG 42 -4.009 3.982 -2.138 334 HA ARG 42 HA ARG 42 -5.015 4.789 -4.798 335 HB2 ARG 42 2HB ARG 42 -7.208 5.228 -3.919 336 HB3 ARG 42 3HB ARG 42 -6.780 3.578 -3.483 337 HG2 ARG 42 2HG ARG 42 -6.311 4.219 -1.224 338 HG3 ARG 42 3HG ARG 42 -6.469 5.929 -1.624 339 HD2 ARG 42 2HD ARG 42 -8.872 5.390 -2.287 340 HD3 ARG 42 3HD ARG 42 -8.630 3.838 -1.482 341 HE ARG 42 HE ARG 42 -8.033 5.255 0.531 342 HH11 ARG 42 1HH1 ARG 42 -10.263 6.293 -1.883 343 HH12 ARG 42 2HH1 ARG 42 -11.076 7.382 -0.812 344 HH21 ARG 42 1HH2 ARG 42 -9.072 6.663 1.884 345 HH22 ARG 42 2HH2 ARG 42 -10.398 7.598 1.291 346 H GLU 43 H GLU 43 -5.632 7.065 -4.947 347 HA GLU 43 HA GLU 43 -4.090 8.767 -3.106 348 HB2 GLU 43 2HB GLU 43 -3.819 9.047 -5.568 349 HB3 GLU 43 3HB GLU 43 -5.508 9.517 -5.678 350 HG2 GLU 43 2HG GLU 43 -5.031 11.440 -4.193 351 HG3 GLU 43 3HG GLU 43 -3.325 10.992 -4.210 352 H SER 44 H SER 44 -5.019 10.444 -1.889 353 HA SER 44 HA SER 44 -7.772 10.075 -1.121 354 HB2 SER 44 2HB SER 44 -6.122 10.671 0.584 355 HB3 SER 44 3HB SER 44 -5.758 12.177 -0.257 356 HG SER 44 HG SER 44 -7.290 12.270 1.579 357 H HIS 45 H HIS 45 -9.505 11.464 -1.393 358 HA HIS 45 HA HIS 45 -9.364 13.289 -3.652 359 HB2 HIS 45 2HB HIS 45 -11.659 12.400 -1.897 360 HB3 HIS 45 3HB HIS 45 -11.836 13.569 -3.203 361 HD1 HIS 45 HD1 HIS 45 -11.355 12.658 -5.645 362 HD2 HIS 45 HD2 HIS 45 -11.711 9.767 -2.683 363 HE1 HIS 45 HE1 HIS 45 -11.701 10.491 -6.863 364 HE2 HIS 45 HE2 HIS 45 -11.749 8.742 -5.060 365 H GLY 46 H GLY 46 -10.566 13.606 -0.288 366 HA2 GLY 46 2HA GLY 46 -10.755 16.408 -0.305 367 HA3 GLY 46 3HA GLY 46 -10.652 15.405 1.129 368 H LYS 47 H LYS 47 -7.952 14.405 0.042 369 HA LYS 47 HA LYS 47 -6.352 16.806 0.692 370 HB2 LYS 47 2HB LYS 47 -6.459 15.225 2.609 371 HB3 LYS 47 3HB LYS 47 -5.768 13.973 1.590 372 HG2 LYS 47 2HG LYS 47 -4.042 14.888 2.987 373 HG3 LYS 47 3HG LYS 47 -3.736 15.357 1.314 374 HD2 LYS 47 2HD LYS 47 -3.325 17.260 2.721 375 HD3 LYS 47 3HD LYS 47 -4.799 17.562 1.804 376 HE2 LYS 47 2HE LYS 47 -5.083 18.273 4.111 377 HE3 LYS 47 3HE LYS 47 -6.136 16.900 3.770 378 HZ1 LYS 47 3HZ LYS 47 -4.556 15.451 4.868 379 HZ2 LYS 47 1HZ LYS 47 -5.023 16.690 5.917 380 HZ3 LYS 47 2HZ LYS 47 -3.513 16.744 5.158 381 HA PRO 48 HA PRO 48 -4.848 15.381 -3.410 382 HB2 PRO 48 2HB PRO 48 -3.714 17.789 -4.069 383 HB3 PRO 48 3HB PRO 48 -5.422 17.408 -4.324 384 HG2 PRO 48 2HG PRO 48 -4.138 18.941 -2.088 385 HG3 PRO 48 3HG PRO 48 -5.624 19.305 -2.987 386 HD2 PRO 48 2HD PRO 48 -5.681 18.182 -0.533 387 HD3 PRO 48 3HD PRO 48 -6.882 17.777 -1.777 388 H GLY 49 H GLY 49 -3.186 14.006 -2.957 389 HA2 GLY 49 2HA GLY 49 -0.707 13.996 -3.287 390 HA3 GLY 49 3HA GLY 49 -0.638 15.206 -2.016 391 H GLU 50 H GLU 50 -2.922 13.462 -0.719 392 HA GLU 50 HA GLU 50 -1.068 11.816 0.816 393 HB2 GLU 50 2HB GLU 50 -2.734 13.158 2.021 394 HB3 GLU 50 3HB GLU 50 -4.036 12.304 1.200 395 HG2 GLU 50 2HG GLU 50 -3.378 10.221 2.283 396 HG3 GLU 50 3HG GLU 50 -2.028 11.037 3.068 397 H TYR 51 H TYR 51 -0.570 9.878 0.004 398 HA TYR 51 HA TYR 51 -2.628 8.279 -1.349 399 HB2 TYR 51 2HB TYR 51 0.376 7.933 -1.162 400 HB3 TYR 51 3HB TYR 51 -0.698 6.784 -1.956 401 HD1 TYR 51 HD2 TYR 51 0.561 10.275 -2.085 402 HD2 TYR 51 HD1 TYR 51 -1.474 7.166 -4.165 403 HE1 TYR 51 HE2 TYR 51 0.700 11.583 -4.162 404 HE2 TYR 51 HE1 TYR 51 -1.333 8.462 -6.250 405 HH TYR 51 HH TYR 51 -1.117 10.970 -6.852 406 H VAL 52 H VAL 52 -3.387 6.363 -0.537 407 HA VAL 52 HA VAL 52 -2.414 5.585 2.142 408 HB VAL 52 HB VAL 52 -5.296 5.554 1.205 409 HG11 VAL 52 1HG1 VAL 52 -4.097 4.881 3.900 410 HG12 VAL 52 2HG1 VAL 52 -4.818 3.739 2.764 411 HG13 VAL 52 3HG1 VAL 52 -5.822 4.965 3.536 412 HG21 VAL 52 3HG2 VAL 52 -3.913 7.374 3.188 413 HG22 VAL 52 1HG2 VAL 52 -5.647 7.342 2.862 414 HG23 VAL 52 2HG2 VAL 52 -4.521 7.834 1.598 415 H LEU 53 H LEU 53 -1.813 3.535 2.351 416 HA LEU 53 HA LEU 53 -2.398 1.558 0.297 417 HB2 LEU 53 2HB LEU 53 -0.140 1.676 1.235 418 HB3 LEU 53 3HB LEU 53 -0.774 1.414 2.849 419 HG LEU 53 HG LEU 53 -1.521 -0.865 2.130 420 HD11 LEU 53 1HD1 LEU 53 -0.607 -1.814 0.079 421 HD12 LEU 53 2HD1 LEU 53 0.069 -0.244 -0.356 422 HD13 LEU 53 3HD1 LEU 53 -1.680 -0.459 -0.266 423 HD21 LEU 53 3HD2 LEU 53 1.431 -0.275 1.843 424 HD22 LEU 53 1HD2 LEU 53 0.723 -1.858 2.172 425 HD23 LEU 53 2HD2 LEU 53 0.565 -0.560 3.353 426 H SER 54 H SER 54 -3.725 -0.221 0.559 427 HA SER 54 HA SER 54 -5.095 -0.566 3.152 428 HB2 SER 54 2HB SER 54 -6.438 -0.587 0.431 429 HB3 SER 54 3HB SER 54 -7.227 -0.974 1.961 430 HG SER 54 HG SER 54 -6.246 1.506 1.037 431 H VAL 55 H VAL 55 -4.460 -2.506 3.851 432 HA VAL 55 HA VAL 55 -4.357 -4.750 1.931 433 HB VAL 55 HB VAL 55 -2.124 -4.155 2.752 434 HG11 VAL 55 1HG1 VAL 55 -1.516 -4.423 5.104 435 HG12 VAL 55 2HG1 VAL 55 -3.198 -4.774 5.507 436 HG13 VAL 55 3HG1 VAL 55 -2.752 -3.180 4.900 437 HG21 VAL 55 3HG2 VAL 55 -1.433 -6.372 3.556 438 HG22 VAL 55 1HG2 VAL 55 -2.573 -6.492 2.214 439 HG23 VAL 55 2HG2 VAL 55 -3.119 -6.785 3.865 440 H TYR 56 H TYR 56 -5.131 -6.780 2.619 441 HA TYR 56 HA TYR 56 -7.120 -6.602 4.787 442 HB2 TYR 56 2HB TYR 56 -7.775 -7.183 2.404 443 HB3 TYR 56 3HB TYR 56 -6.930 -8.707 2.621 444 HD1 TYR 56 HD2 TYR 56 -7.847 -10.432 4.143 445 HD2 TYR 56 HD1 TYR 56 -9.909 -6.771 3.455 446 HE1 TYR 56 HE2 TYR 56 -9.901 -11.416 5.066 447 HE2 TYR 56 HE1 TYR 56 -11.963 -7.747 4.376 448 HH TYR 56 HH TYR 56 -12.953 -9.937 4.717 449 H SER 57 H SER 57 -6.629 -7.561 6.687 450 HA SER 57 HA SER 57 -5.477 -10.248 6.662 451 HB2 SER 57 2HB SER 57 -3.498 -8.815 6.922 452 HB3 SER 57 3HB SER 57 -4.247 -8.021 8.310 453 HG SER 57 HG SER 57 -3.379 -9.562 9.438 454 H ASP 58 H ASP 58 -6.287 -11.561 8.236 455 HA ASP 58 HA ASP 58 -7.518 -12.316 9.994 456 HB2 ASP 58 2HB ASP 58 -5.858 -10.928 11.261 457 HB3 ASP 58 3HB ASP 58 -6.994 -9.585 11.213 458 H GLY 59 H GLY 59 -8.815 -10.843 7.770 459 HA2 GLY 59 2HA GLY 59 -11.038 -10.412 7.225 460 HA3 GLY 59 3HA GLY 59 -11.454 -10.525 8.927 461 H GLN 60 H GLN 60 -8.968 -8.472 8.962 462 HA GLN 60 HA GLN 60 -10.716 -6.113 8.997 463 HB2 GLN 60 2HB GLN 60 -7.875 -6.365 10.018 464 HB3 GLN 60 3HB GLN 60 -9.023 -5.080 10.373 465 HG2 GLN 60 2HG GLN 60 -10.386 -6.582 11.668 466 HG3 GLN 60 3HG GLN 60 -9.386 -7.958 11.198 467 HE21 GLN 60 1HE2 GLN 60 -9.998 -6.990 13.851 468 HE22 GLN 60 2HE2 GLN 60 -8.485 -6.611 14.596 469 H ARG 61 H ARG 61 -10.312 -4.285 7.747 470 HA ARG 61 HA ARG 61 -8.238 -4.554 5.682 471 HB2 ARG 61 2HB ARG 61 -10.574 -2.638 5.922 472 HB3 ARG 61 3HB ARG 61 -9.365 -2.555 4.647 473 HG2 ARG 61 2HG ARG 61 -11.146 -3.703 3.669 474 HG3 ARG 61 3HG ARG 61 -10.007 -4.974 4.107 475 HD2 ARG 61 2HD ARG 61 -12.192 -5.725 4.705 476 HD3 ARG 61 3HD ARG 61 -11.346 -5.332 6.201 477 HE ARG 61 HE ARG 61 -12.775 -3.076 5.389 478 HH11 ARG 61 1HH1 ARG 61 -13.396 -6.264 6.545 479 HH12 ARG 61 2HH1 ARG 61 -14.928 -5.838 7.213 480 HH21 ARG 61 1HH2 ARG 61 -14.710 -2.531 6.277 481 HH22 ARG 61 2HH2 ARG 61 -15.660 -3.737 7.078 482 H ARG 62 H ARG 62 -6.321 -3.904 6.405 483 HA ARG 62 HA ARG 62 -6.061 -1.756 8.351 484 HB2 ARG 62 2HB ARG 62 -3.938 -3.497 7.066 485 HB3 ARG 62 3HB ARG 62 -3.710 -2.440 8.455 486 HG2 ARG 62 2HG ARG 62 -5.644 -4.754 8.435 487 HG3 ARG 62 3HG ARG 62 -3.968 -4.894 8.967 488 HD2 ARG 62 2HD ARG 62 -5.658 -2.748 10.173 489 HD3 ARG 62 3HD ARG 62 -5.942 -4.413 10.673 490 HE ARG 62 HE ARG 62 -3.533 -4.465 11.292 491 HH11 ARG 62 1HH1 ARG 62 -5.115 -1.412 11.079 492 HH12 ARG 62 2HH1 ARG 62 -4.133 -0.699 12.305 493 HH21 ARG 62 1HH2 ARG 62 -2.288 -3.548 12.861 494 HH22 ARG 62 2HH2 ARG 62 -2.535 -1.893 13.300 495 H HIS 63 H HIS 63 -5.614 0.304 7.832 496 HA HIS 63 HA HIS 63 -4.703 0.885 5.085 497 HB2 HIS 63 2HB HIS 63 -6.211 2.699 6.983 498 HB3 HIS 63 3HB HIS 63 -5.805 3.050 5.305 499 HD1 HIS 63 HD1 HIS 63 -6.998 1.413 3.496 500 HD2 HIS 63 HD2 HIS 63 -8.598 1.420 7.336 501 HE1 HIS 63 HE1 HIS 63 -9.285 0.403 3.275 502 HE2 HIS 63 HE2 HIS 63 -10.287 0.563 5.576 503 H PHE 64 H PHE 64 -2.736 1.705 4.825 504 HA PHE 64 HA PHE 64 -1.411 3.030 7.113 505 HB2 PHE 64 2HB PHE 64 -0.119 1.527 4.816 506 HB3 PHE 64 3HB PHE 64 0.730 2.285 6.160 507 HD1 PHE 64 HD2 PHE 64 0.144 1.440 8.530 508 HD2 PHE 64 HD1 PHE 64 -0.770 -0.699 4.962 509 HE1 PHE 64 HE2 PHE 64 -0.047 -0.642 9.825 510 HE2 PHE 64 HE1 PHE 64 -0.967 -2.779 6.257 511 HZ PHE 64 HZ PHE 64 -0.599 -2.754 8.688 512 H ILE 65 H ILE 65 -1.257 5.168 6.846 513 HA ILE 65 HA ILE 65 -1.615 6.395 4.261 514 HB ILE 65 HB ILE 65 -0.994 7.665 6.940 515 HG12 ILE 65 2HG1 ILE 65 -3.621 7.330 5.454 516 HG13 ILE 65 3HG1 ILE 65 -3.143 6.472 6.915 517 HG21 ILE 65 1HG2 ILE 65 -0.318 9.127 5.123 518 HG22 ILE 65 2HG2 ILE 65 -1.772 9.763 5.891 519 HG23 ILE 65 3HG2 ILE 65 -1.888 8.928 4.341 520 HD11 ILE 65 3HD1 ILE 65 -3.598 9.440 6.686 521 HD12 ILE 65 1HD1 ILE 65 -3.133 8.573 8.149 522 HD13 ILE 65 2HD1 ILE 65 -4.700 8.265 7.403 523 H ILE 66 H ILE 66 -0.092 7.149 2.912 524 HA ILE 66 HA ILE 66 2.726 6.857 3.611 525 HB ILE 66 HB ILE 66 1.472 7.699 0.980 526 HG12 ILE 66 2HG1 ILE 66 2.495 4.985 1.870 527 HG13 ILE 66 3HG1 ILE 66 0.806 5.415 1.613 528 HG21 ILE 66 1HG2 ILE 66 4.296 6.866 1.667 529 HG22 ILE 66 2HG2 ILE 66 3.756 8.464 1.152 530 HG23 ILE 66 3HG2 ILE 66 3.686 7.109 0.029 531 HD11 ILE 66 3HD1 ILE 66 1.678 4.137 -0.249 532 HD12 ILE 66 1HD1 ILE 66 2.956 5.328 -0.495 533 HD13 ILE 66 2HD1 ILE 66 1.270 5.774 -0.762 534 H GLN 67 H GLN 67 3.883 8.540 4.393 535 HA GLN 67 HA GLN 67 3.019 11.289 3.791 536 HB2 GLN 67 2HB GLN 67 5.161 10.390 5.737 537 HB3 GLN 67 3HB GLN 67 4.495 12.009 5.577 538 HG2 GLN 67 2HG GLN 67 3.449 11.175 7.469 539 HG3 GLN 67 3HG GLN 67 2.245 10.930 6.205 540 HE21 GLN 67 1HE2 GLN 67 1.225 9.244 7.262 541 HE22 GLN 67 2HE2 GLN 67 1.950 7.690 7.457 542 H TYR 68 H TYR 68 3.995 12.340 2.170 543 HA TYR 68 HA TYR 68 6.521 11.386 1.086 544 HB2 TYR 68 2HB TYR 68 4.746 12.041 -0.466 545 HB3 TYR 68 3HB TYR 68 4.700 13.655 0.228 546 HD1 TYR 68 HD1 TYR 68 7.301 11.358 -1.202 547 HD2 TYR 68 HD2 TYR 68 5.687 15.298 -1.066 548 HE1 TYR 68 HE1 TYR 68 8.965 12.093 -2.856 549 HE2 TYR 68 HE2 TYR 68 7.352 16.041 -2.715 550 HH TYR 68 HH TYR 68 9.540 15.386 -3.561 551 H VAL 69 H VAL 69 8.183 11.893 2.453 552 HA VAL 69 HA VAL 69 8.643 14.756 3.044 553 HB VAL 69 HB VAL 69 9.198 12.512 5.008 554 HG11 VAL 69 1HG1 VAL 69 9.561 14.338 6.616 555 HG12 VAL 69 2HG1 VAL 69 9.315 15.514 5.325 556 HG13 VAL 69 3HG1 VAL 69 10.691 14.412 5.264 557 HG21 VAL 69 3HG2 VAL 69 6.927 14.510 5.038 558 HG22 VAL 69 1HG2 VAL 69 7.311 13.369 6.328 559 HG23 VAL 69 2HG2 VAL 69 6.785 12.775 4.753 560 H ASP 70 H ASP 70 10.786 15.435 2.935 561 HA ASP 70 HA ASP 70 12.936 15.470 2.184 562 HB2 ASP 70 2HB ASP 70 12.991 12.685 3.381 563 HB3 ASP 70 3HB ASP 70 14.413 13.612 2.918 564 H ASN 71 H ASN 71 10.902 14.578 0.315 565 HA ASN 71 HA ASN 71 10.693 13.791 -1.803 566 HB2 ASN 71 2HB ASN 71 13.680 13.318 -1.667 567 HB3 ASN 71 3HB ASN 71 12.703 13.260 -3.129 568 HD21 ASN 71 1HD2 ASN 71 14.128 15.297 -0.723 569 HD22 ASN 71 2HD2 ASN 71 13.863 16.793 -1.543 570 H MET 72 H MET 72 10.979 11.959 0.720 571 HA MET 72 HA MET 72 11.057 9.393 -0.744 572 HB2 MET 72 2HB MET 72 11.724 9.900 2.170 573 HB3 MET 72 3HB MET 72 11.774 8.340 1.362 574 HG2 MET 72 2HG MET 72 13.573 9.125 -0.080 575 HG3 MET 72 3HG MET 72 13.510 10.710 0.691 576 HE1 MET 72 3HE MET 72 16.905 9.192 1.984 577 HE2 MET 72 1HE MET 72 16.145 10.550 1.153 578 HE3 MET 72 2HE MET 72 16.183 8.959 0.392 579 H TYR 73 H TYR 73 9.264 8.173 -0.692 580 HA TYR 73 HA TYR 73 6.957 8.958 0.880 581 HB2 TYR 73 2HB TYR 73 7.367 6.640 -1.034 582 HB3 TYR 73 3HB TYR 73 5.832 7.073 -0.288 583 HD1 TYR 73 HD2 TYR 73 4.680 9.172 -0.945 584 HD2 TYR 73 HD1 TYR 73 8.226 7.869 -2.914 585 HE1 TYR 73 HE2 TYR 73 4.196 10.695 -2.816 586 HE2 TYR 73 HE1 TYR 73 7.752 9.390 -4.785 587 HH TYR 73 HH TYR 73 5.490 11.862 -4.633 588 H ARG 74 H ARG 74 6.618 8.263 2.896 589 HA ARG 74 HA ARG 74 7.740 5.659 3.735 590 HB2 ARG 74 2HB ARG 74 8.195 6.761 5.976 591 HB3 ARG 74 3HB ARG 74 9.226 7.278 4.646 592 HG2 ARG 74 2HG ARG 74 7.764 9.276 4.362 593 HG3 ARG 74 3HG ARG 74 6.876 8.778 5.801 594 HD2 ARG 74 2HD ARG 74 9.845 9.333 5.752 595 HD3 ARG 74 3HD ARG 74 8.627 10.523 6.202 596 HE ARG 74 HE ARG 74 8.033 8.607 7.916 597 HH11 ARG 74 1HH1 ARG 74 11.139 9.767 6.977 598 HH12 ARG 74 2HH1 ARG 74 11.840 9.454 8.525 599 HH21 ARG 74 1HH2 ARG 74 8.954 8.216 9.904 600 HH22 ARG 74 2HH2 ARG 74 10.629 8.570 10.148 601 H PHE 75 H PHE 75 6.583 4.513 5.320 602 HA PHE 75 HA PHE 75 3.794 5.332 5.735 603 HB2 PHE 75 2HB PHE 75 5.249 2.729 6.268 604 HB3 PHE 75 3HB PHE 75 3.581 3.017 6.747 605 HD1 PHE 75 HD1 PHE 75 1.966 3.757 4.841 606 HD2 PHE 75 HD2 PHE 75 5.682 1.777 4.191 607 HE1 PHE 75 HE1 PHE 75 1.176 3.001 2.641 608 HE2 PHE 75 HE2 PHE 75 4.885 1.015 1.987 609 HZ PHE 75 HZ PHE 75 2.635 1.628 1.211 610 H GLU 76 H GLU 76 6.709 4.561 7.559 611 HA GLU 76 HA GLU 76 5.660 5.951 9.903 612 HB2 GLU 76 2HB GLU 76 5.050 3.553 10.184 613 HB3 GLU 76 3HB GLU 76 6.746 3.120 10.045 614 HG2 GLU 76 2HG GLU 76 5.798 4.988 12.199 615 HG3 GLU 76 3HG GLU 76 5.654 3.241 12.382 616 H GLY 77 H GLY 77 8.457 3.876 9.049 617 HA2 GLY 77 2HA GLY 77 10.227 6.187 9.614 618 HA3 GLY 77 3HA GLY 77 10.638 4.548 10.091 619 H THR 78 H THR 78 10.720 2.935 8.218 620 HA THR 78 HA THR 78 12.626 3.723 6.324 621 HB THR 78 HB THR 78 10.756 1.339 6.181 622 HG1 THR 78 HG1 THR 78 13.204 1.837 7.495 623 HG21 THR 78 3HG2 THR 78 12.451 0.330 4.722 624 HG22 THR 78 1HG2 THR 78 13.389 1.825 4.767 625 HG23 THR 78 2HG2 THR 78 11.798 1.803 4.007 626 H GLY 79 H GLY 79 12.488 4.823 4.471 627 HA2 GLY 79 2HA GLY 79 9.943 4.804 2.967 628 HA3 GLY 79 3HA GLY 79 10.736 6.323 3.347 629 H PHE 80 H PHE 80 10.089 5.322 0.732 630 HA PHE 80 HA PHE 80 12.798 4.987 -0.424 631 HB2 PHE 80 2HB PHE 80 10.179 3.759 -1.317 632 HB3 PHE 80 3HB PHE 80 11.610 3.804 -2.340 633 HD1 PHE 80 HD1 PHE 80 10.504 2.671 1.045 634 HD2 PHE 80 HD2 PHE 80 13.102 2.040 -2.270 635 HE1 PHE 80 HE1 PHE 80 11.295 0.577 2.066 636 HE2 PHE 80 HE2 PHE 80 13.896 -0.049 -1.250 637 HZ PHE 80 HZ PHE 80 12.995 -0.784 0.918 638 H SER 81 H SER 81 13.104 5.883 -2.580 639 HA SER 81 HA SER 81 12.281 8.547 -2.824 640 HB2 SER 81 2HB SER 81 13.303 6.761 -5.051 641 HB3 SER 81 3HB SER 81 13.358 8.523 -5.011 642 HG SER 81 HG SER 81 15.221 8.266 -4.096 643 H ASN 82 H ASN 82 10.852 5.628 -4.145 644 HA ASN 82 HA ASN 82 8.720 7.242 -5.399 645 HB2 ASN 82 2HB ASN 82 9.951 4.723 -6.556 646 HB3 ASN 82 3HB ASN 82 8.626 5.643 -7.262 647 HD21 ASN 82 1HD2 ASN 82 12.043 5.600 -6.600 648 HD22 ASN 82 2HD2 ASN 82 12.465 6.868 -7.692 649 H ILE 83 H ILE 83 6.616 6.361 -5.325 650 HA ILE 83 HA ILE 83 5.971 4.582 -3.238 651 HB ILE 83 HB ILE 83 4.292 5.367 -5.634 652 HG12 ILE 83 2HG1 ILE 83 4.364 6.408 -2.783 653 HG13 ILE 83 3HG1 ILE 83 4.965 7.256 -4.205 654 HG21 ILE 83 1HG2 ILE 83 3.463 4.009 -3.063 655 HG22 ILE 83 2HG2 ILE 83 3.459 3.288 -4.671 656 HG23 ILE 83 3HG2 ILE 83 2.361 4.615 -4.299 657 HD11 ILE 83 3HD1 ILE 83 2.694 7.365 -5.093 658 HD12 ILE 83 1HD1 ILE 83 2.815 8.121 -3.506 659 HD13 ILE 83 2HD1 ILE 83 2.097 6.518 -3.664 660 HA PRO 84 HA PRO 84 5.536 1.167 -6.842 661 HB2 PRO 84 2HB PRO 84 7.614 1.643 -8.680 662 HB3 PRO 84 3HB PRO 84 5.886 1.843 -8.987 663 HG2 PRO 84 2HG PRO 84 7.936 3.887 -8.249 664 HG3 PRO 84 3HG PRO 84 6.545 4.028 -9.341 665 HD2 PRO 84 2HD PRO 84 6.493 5.100 -6.892 666 HD3 PRO 84 3HD PRO 84 5.043 4.341 -7.585 667 H GLN 85 H GLN 85 8.715 2.732 -6.261 668 HA GLN 85 HA GLN 85 10.170 0.335 -5.865 669 HB2 GLN 85 2HB GLN 85 10.676 3.172 -4.949 670 HB3 GLN 85 3HB GLN 85 11.810 1.863 -4.646 671 HG2 GLN 85 2HG GLN 85 10.887 2.726 -7.384 672 HG3 GLN 85 3HG GLN 85 12.386 3.245 -6.618 673 HE21 GLN 85 1HE2 GLN 85 10.714 0.608 -8.133 674 HE22 GLN 85 2HE2 GLN 85 12.086 -0.423 -8.311 675 H LEU 86 H LEU 86 8.528 2.494 -3.587 676 HA LEU 86 HA LEU 86 9.248 1.329 -1.171 677 HB2 LEU 86 2HB LEU 86 8.060 3.435 -1.326 678 HB3 LEU 86 3HB LEU 86 6.664 2.643 -2.027 679 HG LEU 86 HG LEU 86 6.246 1.485 0.112 680 HD11 LEU 86 1HD1 LEU 86 8.550 1.394 0.945 681 HD12 LEU 86 2HD1 LEU 86 7.455 2.106 2.127 682 HD13 LEU 86 3HD1 LEU 86 8.531 3.142 1.187 683 HD21 LEU 86 3HD2 LEU 86 6.505 4.487 0.357 684 HD22 LEU 86 1HD2 LEU 86 5.489 3.450 1.360 685 HD23 LEU 86 2HD2 LEU 86 5.150 3.614 -0.363 686 H ILE 87 H ILE 87 6.317 0.640 -3.083 687 HA ILE 87 HA ILE 87 5.479 -1.552 -1.480 688 HB ILE 87 HB ILE 87 4.701 -0.809 -4.310 689 HG12 ILE 87 2HG1 ILE 87 4.199 0.964 -2.696 690 HG13 ILE 87 3HG1 ILE 87 2.715 0.202 -3.252 691 HG21 ILE 87 1HG2 ILE 87 2.690 -2.175 -3.918 692 HG22 ILE 87 2HG2 ILE 87 3.363 -2.701 -2.375 693 HG23 ILE 87 3HG2 ILE 87 4.169 -3.135 -3.882 694 HD11 ILE 87 3HD1 ILE 87 4.087 -0.331 -0.625 695 HD12 ILE 87 1HD1 ILE 87 2.589 -1.077 -1.182 696 HD13 ILE 87 2HD1 ILE 87 2.648 0.656 -0.868 697 H ASP 88 H ASP 88 7.025 -1.454 -4.717 698 HA ASP 88 HA ASP 88 7.108 -4.193 -5.204 699 HB2 ASP 88 2HB ASP 88 7.585 -2.562 -6.940 700 HB3 ASP 88 3HB ASP 88 9.036 -2.034 -6.094 701 H HIS 89 H HIS 89 9.631 -2.159 -3.676 702 HA HIS 89 HA HIS 89 11.475 -4.258 -3.313 703 HB2 HIS 89 2HB HIS 89 11.925 -1.746 -3.154 704 HB3 HIS 89 3HB HIS 89 11.309 -1.845 -1.506 705 HD1 HIS 89 HD1 HIS 89 14.178 -2.947 -3.656 706 HD2 HIS 89 HD2 HIS 89 13.062 -2.997 0.346 707 HE1 HIS 89 HE1 HIS 89 16.226 -3.672 -2.397 708 HE2 HIS 89 HE2 HIS 89 15.533 -3.691 0.020 709 H HIS 90 H HIS 90 8.849 -3.072 -1.221 710 HA HIS 90 HA HIS 90 9.384 -4.800 0.968 711 HB2 HIS 90 2HB HIS 90 6.998 -3.285 0.012 712 HB3 HIS 90 3HB HIS 90 6.718 -4.588 1.159 713 HD1 HIS 90 HD1 HIS 90 7.924 -1.115 0.927 714 HD2 HIS 90 HD2 HIS 90 7.955 -4.204 3.702 715 HE1 HIS 90 HE1 HIS 90 8.483 -0.037 3.127 716 HE2 HIS 90 HE2 HIS 90 8.301 -1.899 4.815 717 H TYR 91 H TYR 91 7.518 -5.256 -2.000 718 HA TYR 91 HA TYR 91 6.397 -7.774 -1.345 719 HB2 TYR 91 2HB TYR 91 5.558 -6.225 -3.115 720 HB3 TYR 91 3HB TYR 91 6.966 -6.623 -4.090 721 HD1 TYR 91 HD1 TYR 91 3.758 -7.847 -2.790 722 HD2 TYR 91 HD2 TYR 91 7.124 -8.779 -5.231 723 HE1 TYR 91 HE1 TYR 91 2.532 -9.747 -3.748 724 HE2 TYR 91 HE2 TYR 91 5.901 -10.684 -6.190 725 HH TYR 91 HH TYR 91 4.068 -12.140 -5.671 726 H THR 92 H THR 92 9.300 -6.883 -3.212 727 HA THR 92 HA THR 92 10.032 -9.526 -3.943 728 HB THR 92 HB THR 92 12.250 -8.590 -4.502 729 HG1 THR 92 HG1 THR 92 12.166 -6.090 -4.196 730 HG21 THR 92 3HG2 THR 92 11.523 -6.981 -6.195 731 HG22 THR 92 1HG2 THR 92 9.975 -6.792 -5.372 732 HG23 THR 92 2HG2 THR 92 10.397 -8.336 -6.110 733 H THR 93 H THR 93 11.032 -7.446 -1.238 734 HA THR 93 HA THR 93 12.830 -9.432 -0.153 735 HB THR 93 HB THR 93 13.071 -7.940 1.777 736 HG1 THR 93 HG1 THR 93 11.348 -6.050 0.598 737 HG21 THR 93 3HG2 THR 93 13.980 -5.974 0.630 738 HG22 THR 93 1HG2 THR 93 13.106 -6.415 -0.836 739 HG23 THR 93 2HG2 THR 93 14.397 -7.456 -0.233 740 H LYS 94 H LYS 94 9.467 -8.932 -0.035 741 HA LYS 94 HA LYS 94 7.762 -9.958 1.067 742 HB2 LYS 94 2HB LYS 94 9.162 -11.967 0.433 743 HB3 LYS 94 3HB LYS 94 9.860 -11.913 2.043 744 HG2 LYS 94 2HG LYS 94 8.081 -13.601 1.807 745 HG3 LYS 94 3HG LYS 94 7.719 -12.395 3.042 746 HD2 LYS 94 2HD LYS 94 6.168 -11.275 1.601 747 HD3 LYS 94 3HD LYS 94 6.666 -12.247 0.215 748 HE2 LYS 94 2HE LYS 94 4.476 -12.908 1.262 749 HE3 LYS 94 3HE LYS 94 5.657 -14.203 1.113 750 HZ1 LYS 94 3HZ LYS 94 6.194 -13.980 3.434 751 HZ2 LYS 94 1HZ LYS 94 4.525 -14.192 3.271 752 HZ3 LYS 94 2HZ LYS 94 5.153 -12.659 3.604 753 H GLN 95 H GLN 95 9.325 -7.858 2.351 754 HA GLN 95 HA GLN 95 9.311 -8.554 5.197 755 HB2 GLN 95 2HB GLN 95 10.386 -6.174 3.681 756 HB3 GLN 95 3HB GLN 95 10.325 -6.224 5.436 757 HG2 GLN 95 2HG GLN 95 11.773 -8.255 3.747 758 HG3 GLN 95 3HG GLN 95 12.532 -6.829 4.453 759 HE21 GLN 95 1HE2 GLN 95 12.863 -6.747 6.671 760 HE22 GLN 95 2HE2 GLN 95 12.743 -8.144 7.677 761 H VAL 96 H VAL 96 8.390 -7.053 6.767 762 HA VAL 96 HA VAL 96 5.652 -6.525 6.187 763 HB VAL 96 HB VAL 96 5.467 -5.754 8.487 764 HG11 VAL 96 1HG1 VAL 96 5.521 -8.164 8.095 765 HG12 VAL 96 2HG1 VAL 96 6.251 -7.759 9.648 766 HG13 VAL 96 3HG1 VAL 96 7.277 -8.161 8.273 767 HG21 VAL 96 3HG2 VAL 96 7.511 -4.432 8.649 768 HG22 VAL 96 1HG2 VAL 96 8.488 -5.898 8.572 769 HG23 VAL 96 2HG2 VAL 96 7.438 -5.609 9.958 770 H ILE 97 H ILE 97 4.516 -4.529 6.367 771 HA ILE 97 HA ILE 97 5.716 -2.266 5.147 772 HB ILE 97 HB ILE 97 3.102 -2.537 6.657 773 HG12 ILE 97 2HG1 ILE 97 3.246 -3.900 4.616 774 HG13 ILE 97 3HG1 ILE 97 2.101 -2.580 4.406 775 HG21 ILE 97 1HG2 ILE 97 4.012 -0.253 4.899 776 HG22 ILE 97 2HG2 ILE 97 3.858 -0.200 6.651 777 HG23 ILE 97 3HG2 ILE 97 2.426 -0.424 5.652 778 HD11 ILE 97 3HD1 ILE 97 3.428 -2.859 2.420 779 HD12 ILE 97 1HD1 ILE 97 4.916 -2.689 3.348 780 HD13 ILE 97 2HD1 ILE 97 3.818 -1.319 3.182 781 H THR 98 H THR 98 4.360 -2.544 8.448 782 HA THR 98 HA THR 98 6.604 -0.913 9.464 783 HB THR 98 HB THR 98 5.104 0.208 11.062 784 HG1 THR 98 HG1 THR 98 2.796 0.013 10.676 785 HG21 THR 98 3HG2 THR 98 5.563 1.329 8.923 786 HG22 THR 98 1HG2 THR 98 3.947 1.709 9.523 787 HG23 THR 98 2HG2 THR 98 4.152 0.547 8.216 788 H LYS 99 H LYS 99 7.268 -1.403 11.604 789 HA LYS 99 HA LYS 99 6.759 -4.083 12.484 790 HB2 LYS 99 2HB LYS 99 8.340 -1.783 13.618 791 HB3 LYS 99 3HB LYS 99 8.093 -3.252 14.554 792 HG2 LYS 99 2HG LYS 99 10.217 -3.372 13.444 793 HG3 LYS 99 3HG LYS 99 9.126 -4.561 12.737 794 HD2 LYS 99 2HD LYS 99 8.664 -2.888 10.902 795 HD3 LYS 99 3HD LYS 99 9.972 -1.908 11.566 796 HE2 LYS 99 2HE LYS 99 10.198 -4.729 10.502 797 HE3 LYS 99 3HE LYS 99 10.787 -3.264 9.718 798 HZ1 LYS 99 3HZ LYS 99 12.555 -4.477 10.851 799 HZ2 LYS 99 1HZ LYS 99 11.750 -4.309 12.328 800 HZ3 LYS 99 2HZ LYS 99 12.340 -2.942 11.524 801 H LYS 100 H LYS 100 5.257 -1.075 13.037 802 HA LYS 100 HA LYS 100 3.995 -1.650 15.532 803 HB2 LYS 100 2HB LYS 100 3.226 0.287 13.335 804 HB3 LYS 100 3HB LYS 100 2.522 0.264 14.946 805 HG2 LYS 100 2HG LYS 100 4.656 0.832 15.932 806 HG3 LYS 100 3HG LYS 100 5.438 0.744 14.354 807 HD2 LYS 100 2HD LYS 100 5.033 3.062 14.963 808 HD3 LYS 100 3HD LYS 100 4.051 2.621 13.570 809 HE2 LYS 100 2HE LYS 100 2.953 2.518 16.367 810 HE3 LYS 100 3HE LYS 100 2.959 4.011 15.433 811 HZ1 LYS 100 3HZ LYS 100 1.702 2.802 13.693 812 HZ2 LYS 100 1HZ LYS 100 0.866 2.952 15.154 813 HZ3 LYS 100 2HZ LYS 100 1.574 1.479 14.737 814 H SER 101 H SER 101 3.475 -2.813 12.378 815 HA SER 101 HA SER 101 0.741 -3.718 13.068 816 HB2 SER 101 2HB SER 101 0.246 -3.778 10.660 817 HB3 SER 101 3HB SER 101 0.738 -2.160 11.160 818 HG SER 101 HG SER 101 2.460 -2.300 9.945 819 H GLY 102 H GLY 102 3.563 -4.617 11.057 820 HA2 GLY 102 2HA GLY 102 4.632 -6.693 10.945 821 HA3 GLY 102 3HA GLY 102 3.397 -7.368 11.993 822 H VAL 103 H VAL 103 2.425 -5.567 9.185 823 HA VAL 103 HA VAL 103 1.348 -8.026 7.995 824 HB VAL 103 HB VAL 103 0.748 -5.150 7.258 825 HG11 VAL 103 1HG1 VAL 103 -1.220 -6.112 6.122 826 HG12 VAL 103 2HG1 VAL 103 -0.640 -7.732 6.514 827 HG13 VAL 103 3HG1 VAL 103 0.296 -6.695 5.437 828 HG21 VAL 103 3HG2 VAL 103 -1.345 -5.441 8.510 829 HG22 VAL 103 1HG2 VAL 103 0.061 -5.625 9.562 830 HG23 VAL 103 2HG2 VAL 103 -0.825 -7.049 9.015 831 H VAL 104 H VAL 104 2.019 -8.833 6.078 832 HA VAL 104 HA VAL 104 4.183 -7.419 4.650 833 HB VAL 104 HB VAL 104 3.467 -10.364 4.558 834 HG11 VAL 104 1HG1 VAL 104 5.868 -8.880 3.480 835 HG12 VAL 104 2HG1 VAL 104 4.587 -9.635 2.530 836 HG13 VAL 104 3HG1 VAL 104 5.675 -10.634 3.495 837 HG21 VAL 104 3HG2 VAL 104 5.451 -10.730 5.951 838 HG22 VAL 104 1HG2 VAL 104 4.261 -9.730 6.783 839 HG23 VAL 104 2HG2 VAL 104 5.693 -8.986 6.071 840 H LEU 105 H LEU 105 4.216 -7.524 2.288 841 HA LEU 105 HA LEU 105 1.519 -7.376 1.148 842 HB2 LEU 105 2HB LEU 105 4.180 -6.523 -0.006 843 HB3 LEU 105 3HB LEU 105 2.617 -6.266 -0.761 844 HG LEU 105 HG LEU 105 3.572 -5.027 1.825 845 HD11 LEU 105 1HD1 LEU 105 3.039 -3.816 -0.887 846 HD12 LEU 105 2HD1 LEU 105 4.623 -4.073 -0.153 847 HD13 LEU 105 3HD1 LEU 105 3.492 -2.930 0.571 848 HD21 LEU 105 3HD2 LEU 105 1.173 -5.466 1.930 849 HD22 LEU 105 1HD2 LEU 105 0.946 -4.668 0.371 850 HD23 LEU 105 2HD2 LEU 105 1.484 -3.738 1.771 851 H LEU 106 H LEU 106 0.708 -8.965 -0.054 852 HA LEU 106 HA LEU 106 2.463 -10.420 -1.890 853 HB2 LEU 106 2HB LEU 106 1.240 -12.568 -1.359 854 HB3 LEU 106 3HB LEU 106 2.390 -12.019 -0.158 855 HG LEU 106 HG LEU 106 -0.528 -11.360 0.161 856 HD11 LEU 106 1HD1 LEU 106 0.785 -13.950 0.998 857 HD12 LEU 106 2HD1 LEU 106 -0.465 -13.767 -0.234 858 HD13 LEU 106 3HD1 LEU 106 -0.834 -13.413 1.452 859 HD21 LEU 106 3HD2 LEU 106 1.076 -10.269 1.642 860 HD22 LEU 106 1HD2 LEU 106 1.729 -11.837 2.118 861 HD23 LEU 106 2HD2 LEU 106 0.071 -11.402 2.542 862 H ASN 107 H ASN 107 1.265 -11.557 -3.592 863 HA ASN 107 HA ASN 107 0.008 -11.158 -5.465 864 HB2 ASN 107 2HB ASN 107 -2.368 -11.997 -5.088 865 HB3 ASN 107 3HB ASN 107 -1.046 -13.073 -4.681 866 HD21 ASN 107 1HD2 ASN 107 -2.231 -10.403 -2.653 867 HD22 ASN 107 2HD2 ASN 107 -2.805 -11.422 -1.393 868 HA PRO 108 HA PRO 108 -1.565 -6.879 -4.951 869 HB2 PRO 108 2HB PRO 108 -0.784 -6.058 -7.432 870 HB3 PRO 108 3HB PRO 108 0.301 -6.077 -6.036 871 HG2 PRO 108 2HG PRO 108 0.034 -8.081 -8.256 872 HG3 PRO 108 3HG PRO 108 1.504 -7.424 -7.514 873 HD2 PRO 108 2HD PRO 108 0.514 -9.859 -6.867 874 HD3 PRO 108 3HD PRO 108 1.372 -8.840 -5.694 875 H ILE 109 H ILE 109 -3.606 -6.252 -5.449 876 HA ILE 109 HA ILE 109 -5.229 -7.893 -7.171 877 HB ILE 109 HB ILE 109 -5.929 -5.380 -5.636 878 HG12 ILE 109 2HG1 ILE 109 -5.297 -7.249 -4.178 879 HG13 ILE 109 3HG1 ILE 109 -7.026 -6.938 -4.059 880 HG21 ILE 109 1HG2 ILE 109 -7.743 -7.339 -7.055 881 HG22 ILE 109 2HG2 ILE 109 -7.454 -5.658 -7.508 882 HG23 ILE 109 3HG2 ILE 109 -8.281 -6.034 -5.997 883 HD11 ILE 109 3HD1 ILE 109 -7.456 -8.828 -5.555 884 HD12 ILE 109 1HD1 ILE 109 -6.575 -9.311 -4.107 885 HD13 ILE 109 2HD1 ILE 109 -5.721 -9.143 -5.640 886 HA PRO 110 HA PRO 110 -4.395 -5.586 -10.960 887 HB2 PRO 110 2HB PRO 110 -6.981 -6.874 -11.732 888 HB3 PRO 110 3HB PRO 110 -5.439 -6.834 -12.595 889 HG2 PRO 110 2HG PRO 110 -6.200 -9.042 -11.334 890 HG3 PRO 110 3HG PRO 110 -4.506 -8.515 -11.274 891 HD2 PRO 110 2HD PRO 110 -6.641 -8.279 -9.182 892 HD3 PRO 110 3HD PRO 110 -4.916 -8.659 -8.995 893 H LYS 111 H LYS 111 -5.158 -3.727 -11.968 894 HA LYS 111 HA LYS 111 -7.223 -2.294 -10.479 895 HB2 LYS 111 2HB LYS 111 -6.270 -0.279 -11.260 896 HB3 LYS 111 3HB LYS 111 -4.921 -1.325 -10.859 897 HG2 LYS 111 2HG LYS 111 -5.942 -0.680 -13.627 898 HG3 LYS 111 3HG LYS 111 -4.455 -0.096 -12.884 899 HD2 LYS 111 2HD LYS 111 -3.706 -2.508 -12.757 900 HD3 LYS 111 3HD LYS 111 -5.109 -2.921 -13.738 901 HE2 LYS 111 2HE LYS 111 -3.231 -2.720 -15.203 902 HE3 LYS 111 3HE LYS 111 -4.271 -1.320 -15.472 903 HZ1 LYS 111 3HZ LYS 111 -1.699 -1.422 -13.994 904 HZ2 LYS 111 1HZ LYS 111 -2.762 -0.109 -13.886 905 HZ3 LYS 111 2HZ LYS 111 -2.076 -0.512 -15.371 906 H ASP 112 H ASP 112 -9.080 -1.460 -11.324 907 HA ASP 112 HA ASP 112 -9.842 -2.285 -14.037 908 HB2 ASP 112 2HB ASP 112 -11.543 -1.127 -11.805 909 HB3 ASP 112 3HB ASP 112 -12.142 -1.758 -13.337 910 H LYS 113 H LYS 113 -9.396 -0.812 -15.598 911 HA LYS 113 HA LYS 113 -9.348 2.042 -14.946 912 HB2 LYS 113 2HB LYS 113 -8.090 2.388 -16.905 913 HB3 LYS 113 3HB LYS 113 -7.496 0.865 -16.269 914 HG2 LYS 113 2HG LYS 113 -9.456 1.173 -18.545 915 HG3 LYS 113 3HG LYS 113 -7.736 0.837 -18.710 916 HD2 LYS 113 2HD LYS 113 -8.052 -1.296 -17.527 917 HD3 LYS 113 3HD LYS 113 -9.775 -0.949 -17.371 918 HE2 LYS 113 2HE LYS 113 -9.966 -0.899 -19.831 919 HE3 LYS 113 3HE LYS 113 -8.254 -1.311 -19.955 920 HZ1 LYS 113 3HZ LYS 113 -10.323 -2.996 -18.652 921 HZ2 LYS 113 1HZ LYS 113 -8.694 -3.397 -18.853 922 HZ3 LYS 113 2HZ LYS 113 -9.699 -3.251 -20.202 923 H LYS 114 H LYS 114 -11.890 0.550 -15.158 924 HA LYS 114 HA LYS 114 -13.242 1.170 -17.573 925 HB2 LYS 114 2HB LYS 114 -14.396 0.684 -14.815 926 HB3 LYS 114 3HB LYS 114 -15.294 0.641 -16.326 927 HG2 LYS 114 2HG LYS 114 -13.970 -1.276 -17.066 928 HG3 LYS 114 3HG LYS 114 -13.053 -1.231 -15.560 929 HD2 LYS 114 2HD LYS 114 -16.029 -1.714 -15.815 930 HD3 LYS 114 3HD LYS 114 -14.809 -2.945 -15.489 931 HE2 LYS 114 2HE LYS 114 -14.240 -1.817 -13.381 932 HE3 LYS 114 3HE LYS 114 -15.457 -0.585 -13.714 933 HZ1 LYS 114 3HZ LYS 114 -17.155 -2.319 -13.653 934 HZ2 LYS 114 1HZ LYS 114 -16.306 -2.230 -12.195 935 HZ3 LYS 114 2HZ LYS 114 -15.975 -3.474 -13.285 936 H TRP 115 H TRP 115 -13.916 3.100 -18.295 937 HA TRP 115 HA TRP 115 -13.753 5.464 -16.698 938 HB2 TRP 115 2HB TRP 115 -15.106 5.185 -19.390 939 HB3 TRP 115 3HB TRP 115 -14.458 6.654 -18.668 940 HD1 TRP 115 HD1 TRP 115 -13.580 4.068 -21.103 941 HE1 TRP 115 HE1 TRP 115 -11.072 4.140 -21.666 942 HE3 TRP 115 HE3 TRP 115 -11.972 7.055 -17.277 943 HZ2 TRP 115 HZ2 TRP 115 -8.721 5.300 -20.628 944 HZ3 TRP 115 HZ3 TRP 115 -9.574 7.595 -17.133 945 HH2 TRP 115 HH2 TRP 115 -7.984 6.735 -18.774 946 H ILE 116 H ILE 116 -16.464 3.643 -18.095 947 HA ILE 116 HA ILE 116 -18.680 3.527 -17.650 948 HB ILE 116 HB ILE 116 -17.936 4.549 -14.895 949 HG12 ILE 116 2HG1 ILE 116 -18.156 1.704 -15.933 950 HG13 ILE 116 3HG1 ILE 116 -16.652 2.534 -15.549 951 HG21 ILE 116 1HG2 ILE 116 -20.363 3.007 -15.841 952 HG22 ILE 116 2HG2 ILE 116 -20.334 4.694 -15.324 953 HG23 ILE 116 3HG2 ILE 116 -19.994 3.411 -14.164 954 HD11 ILE 116 3HD1 ILE 116 -17.298 0.998 -13.783 955 HD12 ILE 116 1HD1 ILE 116 -18.837 1.841 -13.591 956 HD13 ILE 116 2HD1 ILE 116 -17.325 2.665 -13.206 Start of MODEL 19 1 H1 MET 1 1H MET 1 19.996 -29.204 -18.627 2 H2 MET 1 2H MET 1 18.670 -29.251 -17.577 3 H3 MET 1 3H MET 1 19.854 -28.063 -17.388 4 HA MET 1 HA MET 1 19.279 -27.057 -19.469 5 HB2 MET 1 2HB MET 1 17.330 -27.856 -20.741 6 HB3 MET 1 3HB MET 1 18.586 -29.082 -20.648 7 HG2 MET 1 2HG MET 1 17.347 -30.211 -18.863 8 HG3 MET 1 3HG MET 1 16.082 -28.989 -18.974 9 HE1 MET 1 3HE MET 1 14.719 -29.634 -22.619 10 HE2 MET 1 1HE MET 1 16.033 -28.541 -22.186 11 HE3 MET 1 2HE MET 1 14.591 -28.627 -21.177 12 H GLY 2 H GLY 2 17.667 -25.412 -19.590 13 HA2 GLY 2 2HA GLY 2 15.696 -25.395 -17.377 14 HA3 GLY 2 3HA GLY 2 16.665 -23.977 -17.756 15 H HIS 3 H HIS 3 13.646 -24.930 -17.961 16 HA HIS 3 HA HIS 3 12.887 -24.778 -20.649 17 HB2 HIS 3 2HB HIS 3 10.633 -24.378 -19.882 18 HB3 HIS 3 3HB HIS 3 11.400 -25.554 -18.822 19 HD1 HIS 3 HD1 HIS 3 9.754 -22.273 -18.849 20 HD2 HIS 3 HD2 HIS 3 12.029 -24.519 -16.200 21 HE1 HIS 3 HE1 HIS 3 9.403 -21.215 -16.608 22 HE2 HIS 3 HE2 HIS 3 10.578 -22.744 -15.000 23 H HIS 4 H HIS 4 11.872 -23.115 -21.859 24 HA HIS 4 HA HIS 4 13.438 -20.740 -21.851 25 HB2 HIS 4 2HB HIS 4 12.817 -21.660 -23.955 26 HB3 HIS 4 3HB HIS 4 11.109 -21.672 -23.530 27 HD1 HIS 4 HD1 HIS 4 9.769 -19.624 -24.062 28 HD2 HIS 4 HD2 HIS 4 13.853 -19.013 -24.528 29 HE1 HIS 4 HE1 HIS 4 9.993 -17.367 -25.141 30 HE2 HIS 4 HE2 HIS 4 12.461 -17.057 -25.495 31 H HIS 5 H HIS 5 13.121 -19.084 -20.505 32 HA HIS 5 HA HIS 5 10.693 -17.581 -20.603 33 HB2 HIS 5 2HB HIS 5 10.090 -19.364 -18.923 34 HB3 HIS 5 3HB HIS 5 11.382 -18.757 -17.892 35 HD1 HIS 5 HD1 HIS 5 10.919 -16.648 -16.541 36 HD2 HIS 5 HD2 HIS 5 7.843 -17.616 -19.165 37 HE1 HIS 5 HE1 HIS 5 9.016 -15.131 -15.937 38 HE2 HIS 5 HE2 HIS 5 7.141 -15.781 -17.483 39 H HIS 6 H HIS 6 10.933 -15.461 -19.681 40 HA HIS 6 HA HIS 6 13.517 -14.793 -18.477 41 HB2 HIS 6 2HB HIS 6 14.022 -13.048 -20.076 42 HB3 HIS 6 3HB HIS 6 13.809 -14.562 -20.943 43 HD1 HIS 6 HD1 HIS 6 12.628 -11.109 -20.811 44 HD2 HIS 6 HD2 HIS 6 11.262 -14.711 -22.367 45 HE1 HIS 6 HE1 HIS 6 10.840 -10.492 -22.455 46 HE2 HIS 6 HE2 HIS 6 10.114 -12.673 -23.471 47 H HIS 7 H HIS 7 13.565 -12.336 -17.945 48 HA HIS 7 HA HIS 7 10.895 -11.484 -17.003 49 HB2 HIS 7 2HB HIS 7 12.222 -10.364 -15.097 50 HB3 HIS 7 3HB HIS 7 12.010 -12.109 -15.036 51 HD1 HIS 7 HD1 HIS 7 14.663 -9.574 -16.052 52 HD2 HIS 7 HD2 HIS 7 14.321 -13.514 -14.777 53 HE1 HIS 7 HE1 HIS 7 17.014 -10.367 -15.680 54 HE2 HIS 7 HE2 HIS 7 16.787 -12.787 -15.039 55 H HIS 8 H HIS 8 10.352 -9.319 -17.143 56 HA HIS 8 HA HIS 8 11.440 -7.980 -19.386 57 HB2 HIS 8 2HB HIS 8 9.043 -7.901 -18.521 58 HB3 HIS 8 3HB HIS 8 9.608 -6.733 -17.330 59 HD1 HIS 8 HD1 HIS 8 8.549 -4.615 -18.163 60 HD2 HIS 8 HD2 HIS 8 10.488 -6.705 -21.186 61 HE1 HIS 8 HE1 HIS 8 8.452 -3.129 -20.179 62 HE2 HIS 8 HE2 HIS 8 9.781 -4.337 -21.934 63 H SER 9 H SER 9 11.724 -7.335 -15.899 64 HA SER 9 HA SER 9 13.209 -6.107 -14.683 65 HB2 SER 9 2HB SER 9 14.908 -6.522 -17.158 66 HB3 SER 9 3HB SER 9 15.520 -5.870 -15.637 67 HG SER 9 HG SER 9 15.281 -7.791 -14.683 68 H HIS 10 H HIS 10 11.291 -4.549 -16.116 69 HA HIS 10 HA HIS 10 12.808 -2.029 -16.401 70 HB2 HIS 10 2HB HIS 10 12.133 -2.901 -18.642 71 HB3 HIS 10 3HB HIS 10 10.450 -2.845 -18.132 72 HD1 HIS 10 HD1 HIS 10 9.342 -0.499 -17.958 73 HD2 HIS 10 HD2 HIS 10 13.264 -0.438 -19.338 74 HE1 HIS 10 HE1 HIS 10 9.679 1.795 -18.922 75 HE2 HIS 10 HE2 HIS 10 12.024 1.781 -19.833 76 H MET 11 H MET 11 11.905 -0.247 -15.408 77 HA MET 11 HA MET 11 9.691 -0.768 -13.583 78 HB2 MET 11 2HB MET 11 11.437 1.690 -13.903 79 HB3 MET 11 3HB MET 11 10.271 1.426 -12.613 80 HG2 MET 11 2HG MET 11 11.572 -0.510 -11.848 81 HG3 MET 11 3HG MET 11 12.750 -0.207 -13.124 82 HE1 MET 11 3HE MET 11 14.772 -0.081 -11.397 83 HE2 MET 11 1HE MET 11 13.630 -0.485 -10.116 84 HE3 MET 11 2HE MET 11 14.724 0.885 -9.923 85 H LYS 12 H LYS 12 7.829 0.626 -13.404 86 HA LYS 12 HA LYS 12 7.298 2.369 -15.710 87 HB2 LYS 12 2HB LYS 12 5.510 0.172 -14.681 88 HB3 LYS 12 3HB LYS 12 4.867 1.536 -15.584 89 HG2 LYS 12 2HG LYS 12 6.680 0.866 -17.344 90 HG3 LYS 12 3HG LYS 12 6.629 -0.691 -16.514 91 HD2 LYS 12 2HD LYS 12 4.248 0.752 -17.705 92 HD3 LYS 12 3HD LYS 12 5.099 -0.605 -18.451 93 HE2 LYS 12 2HE LYS 12 4.476 -2.038 -16.552 94 HE3 LYS 12 3HE LYS 12 3.628 -0.682 -15.808 95 HZ1 LYS 12 3HZ LYS 12 2.948 -1.987 -18.386 96 HZ2 LYS 12 1HZ LYS 12 2.169 -0.619 -17.767 97 HZ3 LYS 12 2HZ LYS 12 2.073 -2.092 -16.943 98 HA PRO 13 HA PRO 13 5.828 5.444 -12.894 99 HB2 PRO 13 2HB PRO 13 3.602 6.378 -14.226 100 HB3 PRO 13 3HB PRO 13 5.264 6.804 -14.656 101 HG2 PRO 13 2HG PRO 13 3.492 4.685 -15.836 102 HG3 PRO 13 3HG PRO 13 4.505 5.874 -16.674 103 HD2 PRO 13 2HD PRO 13 5.349 3.376 -16.390 104 HD3 PRO 13 3HD PRO 13 6.482 4.728 -16.178 105 H LEU 14 H LEU 14 3.953 6.112 -11.566 106 HA LEU 14 HA LEU 14 2.836 3.932 -10.207 107 HB2 LEU 14 2HB LEU 14 3.244 6.153 -9.223 108 HB3 LEU 14 3HB LEU 14 1.932 6.812 -10.180 109 HG LEU 14 HG LEU 14 0.334 5.349 -8.973 110 HD11 LEU 14 1HD1 LEU 14 2.729 4.600 -7.290 111 HD12 LEU 14 2HD1 LEU 14 1.854 3.528 -8.384 112 HD13 LEU 14 3HD1 LEU 14 1.052 4.171 -6.952 113 HD21 LEU 14 3HD2 LEU 14 2.047 7.091 -7.199 114 HD22 LEU 14 1HD2 LEU 14 0.402 6.562 -6.845 115 HD23 LEU 14 2HD2 LEU 14 0.708 7.635 -8.210 116 H ALA 15 H ALA 15 1.374 6.083 -12.633 117 HA ALA 15 HA ALA 15 -1.264 5.084 -12.461 118 HB1 ALA 15 3HB ALA 15 0.098 6.343 -14.843 119 HB2 ALA 15 1HB ALA 15 -0.694 7.216 -13.530 120 HB3 ALA 15 2HB ALA 15 -1.642 6.182 -14.598 121 H GLU 16 H GLU 16 1.549 3.654 -13.776 122 HA GLU 16 HA GLU 16 0.087 1.817 -15.512 123 HB2 GLU 16 2HB GLU 16 3.005 2.261 -14.927 124 HB3 GLU 16 3HB GLU 16 2.461 0.830 -15.787 125 HG2 GLU 16 2HG GLU 16 1.919 3.659 -16.668 126 HG3 GLU 16 3HG GLU 16 3.235 2.651 -17.267 127 H GLN 17 H GLN 17 1.302 1.937 -12.287 128 HA GLN 17 HA GLN 17 1.769 -0.791 -11.807 129 HB2 GLN 17 2HB GLN 17 0.827 1.346 -9.886 130 HB3 GLN 17 3HB GLN 17 1.491 -0.214 -9.420 131 HG2 GLN 17 2HG GLN 17 2.946 1.963 -10.917 132 HG3 GLN 17 3HG GLN 17 3.164 1.531 -9.220 133 HE21 GLN 17 1HE2 GLN 17 5.111 1.559 -11.399 134 HE22 GLN 17 2HE2 GLN 17 5.748 -0.043 -11.469 135 H ASP 18 H ASP 18 0.451 -2.495 -11.521 136 HA ASP 18 HA ASP 18 -2.330 -2.157 -12.127 137 HB2 ASP 18 2HB ASP 18 -0.796 -4.660 -11.399 138 HB3 ASP 18 3HB ASP 18 -2.420 -4.608 -12.084 139 H TRP 19 H TRP 19 -0.539 -2.595 -9.170 140 HA TRP 19 HA TRP 19 -2.885 -3.240 -7.613 141 HB2 TRP 19 2HB TRP 19 -1.235 -2.736 -5.658 142 HB3 TRP 19 3HB TRP 19 -0.998 -4.174 -6.640 143 HD1 TRP 19 HD1 TRP 19 1.310 -4.460 -7.766 144 HE1 TRP 19 HE1 TRP 19 3.444 -3.031 -7.952 145 HE3 TRP 19 HE3 TRP 19 -0.480 -0.071 -5.833 146 HZ2 TRP 19 HZ2 TRP 19 4.255 -0.402 -7.358 147 HZ3 TRP 19 HZ3 TRP 19 1.047 1.852 -5.680 148 HH2 TRP 19 HH2 TRP 19 3.367 1.690 -6.426 149 H TYR 20 H TYR 20 -1.884 -0.448 -9.046 150 HA TYR 20 HA TYR 20 -2.865 1.363 -6.973 151 HB2 TYR 20 2HB TYR 20 -0.900 2.053 -8.263 152 HB3 TYR 20 3HB TYR 20 -1.803 1.895 -9.764 153 HD1 TYR 20 HD2 TYR 20 -1.893 3.742 -6.515 154 HD2 TYR 20 HD1 TYR 20 -2.808 3.797 -10.675 155 HE1 TYR 20 HE2 TYR 20 -2.560 6.099 -6.334 156 HE2 TYR 20 HE1 TYR 20 -3.472 6.158 -10.501 157 HH TYR 20 HH TYR 20 -4.304 7.724 -8.660 158 H HIS 21 H HIS 21 -4.960 1.987 -6.870 159 HA HIS 21 HA HIS 21 -6.648 1.571 -9.266 160 HB2 HIS 21 2HB HIS 21 -7.318 1.071 -6.359 161 HB3 HIS 21 3HB HIS 21 -8.532 1.130 -7.633 162 HD1 HIS 21 HD1 HIS 21 -8.999 -1.008 -8.794 163 HD2 HIS 21 HD2 HIS 21 -5.329 -1.084 -6.843 164 HE1 HIS 21 HE1 HIS 21 -8.164 -3.365 -9.019 165 HE2 HIS 21 HE2 HIS 21 -5.856 -3.326 -8.023 166 H GLY 22 H GLY 22 -5.765 3.910 -9.461 167 HA2 GLY 22 2HA GLY 22 -6.275 6.139 -9.607 168 HA3 GLY 22 3HA GLY 22 -7.942 5.617 -9.455 169 H ALA 23 H ALA 23 -8.901 6.927 -8.041 170 HA ALA 23 HA ALA 23 -7.595 7.443 -5.439 171 HB1 ALA 23 3HB ALA 23 -7.470 9.438 -6.890 172 HB2 ALA 23 1HB ALA 23 -8.457 9.716 -5.455 173 HB3 ALA 23 2HB ALA 23 -9.230 9.440 -7.018 174 H ILE 24 H ILE 24 -9.443 5.359 -5.997 175 HA ILE 24 HA ILE 24 -12.131 5.911 -5.462 176 HB ILE 24 HB ILE 24 -12.372 3.568 -4.838 177 HG12 ILE 24 2HG1 ILE 24 -9.337 3.472 -4.817 178 HG13 ILE 24 3HG1 ILE 24 -10.372 3.364 -3.396 179 HG21 ILE 24 1HG2 ILE 24 -12.152 4.090 -7.207 180 HG22 ILE 24 2HG2 ILE 24 -11.429 2.521 -6.849 181 HG23 ILE 24 3HG2 ILE 24 -10.399 3.931 -7.095 182 HD11 ILE 24 3HD1 ILE 24 -9.568 1.180 -4.046 183 HD12 ILE 24 1HD1 ILE 24 -10.248 1.382 -5.660 184 HD13 ILE 24 2HD1 ILE 24 -11.316 1.272 -4.260 185 HA PRO 25 HA PRO 25 -12.246 6.953 -1.133 186 HB2 PRO 25 2HB PRO 25 -14.739 6.102 -0.450 187 HB3 PRO 25 3HB PRO 25 -14.456 7.532 -1.451 188 HG2 PRO 25 2HG PRO 25 -15.164 4.738 -2.300 189 HG3 PRO 25 3HG PRO 25 -15.835 6.280 -2.866 190 HD2 PRO 25 2HD PRO 25 -13.963 4.934 -4.269 191 HD3 PRO 25 3HD PRO 25 -14.029 6.707 -4.247 192 H ARG 26 H ARG 26 -12.566 6.038 1.058 193 HA ARG 26 HA ARG 26 -11.060 3.789 1.560 194 HB2 ARG 26 2HB ARG 26 -11.874 5.592 3.201 195 HB3 ARG 26 3HB ARG 26 -13.336 4.628 3.363 196 HG2 ARG 26 2HG ARG 26 -11.626 2.697 3.900 197 HG3 ARG 26 3HG ARG 26 -10.561 4.045 4.296 198 HD2 ARG 26 2HD ARG 26 -11.556 3.559 6.340 199 HD3 ARG 26 3HD ARG 26 -12.550 4.888 5.739 200 HE ARG 26 HE ARG 26 -13.519 2.250 5.068 201 HH11 ARG 26 1HH1 ARG 26 -13.663 4.843 7.336 202 HH12 ARG 26 2HH1 ARG 26 -15.143 4.284 8.028 203 HH21 ARG 26 1HH2 ARG 26 -15.395 1.546 5.966 204 HH22 ARG 26 2HH2 ARG 26 -16.114 2.433 7.264 205 H ILE 27 H ILE 27 -14.562 3.992 1.132 206 HA ILE 27 HA ILE 27 -15.299 1.456 2.031 207 HB ILE 27 HB ILE 27 -16.600 3.094 -0.159 208 HG12 ILE 27 2HG1 ILE 27 -17.131 3.003 2.827 209 HG13 ILE 27 3HG1 ILE 27 -16.360 4.328 1.961 210 HG21 ILE 27 1HG2 ILE 27 -17.381 0.789 -0.207 211 HG22 ILE 27 2HG2 ILE 27 -18.652 1.848 0.403 212 HG23 ILE 27 3HG2 ILE 27 -17.727 0.848 1.523 213 HD11 ILE 27 3HD1 ILE 27 -18.666 4.847 2.466 214 HD12 ILE 27 1HD1 ILE 27 -19.206 3.398 1.619 215 HD13 ILE 27 2HD1 ILE 27 -18.438 4.710 0.723 216 H GLU 28 H GLU 28 -14.797 2.445 -1.390 217 HA GLU 28 HA GLU 28 -15.148 -0.135 -2.448 218 HB2 GLU 28 2HB GLU 28 -13.472 2.075 -3.656 219 HB3 GLU 28 3HB GLU 28 -14.241 0.741 -4.509 220 HG2 GLU 28 2HG GLU 28 -15.653 2.972 -3.062 221 HG3 GLU 28 3HG GLU 28 -15.478 2.820 -4.811 222 H ALA 29 H ALA 29 -12.321 1.448 -1.126 223 HA ALA 29 HA ALA 29 -10.372 -0.421 -2.030 224 HB1 ALA 29 3HB ALA 29 -9.803 1.852 -1.295 225 HB2 ALA 29 1HB ALA 29 -8.888 0.630 -0.411 226 HB3 ALA 29 2HB ALA 29 -10.263 1.427 0.354 227 H GLN 30 H GLN 30 -12.467 -0.321 0.828 228 HA GLN 30 HA GLN 30 -11.119 -2.608 2.038 229 HB2 GLN 30 2HB GLN 30 -12.743 -2.378 3.855 230 HB3 GLN 30 3HB GLN 30 -11.973 -0.837 3.501 231 HG2 GLN 30 2HG GLN 30 -13.922 -0.067 2.328 232 HG3 GLN 30 3HG GLN 30 -14.687 -1.647 2.474 233 HE21 GLN 30 1HE2 GLN 30 -15.568 -2.254 4.435 234 HE22 GLN 30 2HE2 GLN 30 -15.858 -1.124 5.706 235 H GLU 31 H GLU 31 -13.985 -1.992 0.126 236 HA GLU 31 HA GLU 31 -15.461 -4.301 0.815 237 HB2 GLU 31 2HB GLU 31 -15.574 -2.591 -1.678 238 HB3 GLU 31 3HB GLU 31 -16.759 -3.823 -1.263 239 HG2 GLU 31 2HG GLU 31 -16.138 -1.390 0.405 240 HG3 GLU 31 3HG GLU 31 -17.494 -1.524 -0.710 241 H LEU 32 H LEU 32 -13.130 -3.726 -1.809 242 HA LEU 32 HA LEU 32 -13.640 -6.193 -3.141 243 HB2 LEU 32 2HB LEU 32 -11.699 -5.689 -4.487 244 HB3 LEU 32 3HB LEU 32 -12.672 -4.251 -4.268 245 HG LEU 32 HG LEU 32 -10.941 -3.765 -2.310 246 HD11 LEU 32 1HD1 LEU 32 -9.723 -5.864 -2.508 247 HD12 LEU 32 2HD1 LEU 32 -8.679 -4.499 -2.892 248 HD13 LEU 32 3HD1 LEU 32 -9.331 -5.502 -4.188 249 HD21 LEU 32 3HD2 LEU 32 -9.607 -2.452 -3.896 250 HD22 LEU 32 1HD2 LEU 32 -11.334 -2.310 -4.224 251 HD23 LEU 32 2HD2 LEU 32 -10.324 -3.340 -5.240 252 H LEU 33 H LEU 33 -11.666 -5.354 -0.428 253 HA LEU 33 HA LEU 33 -9.818 -7.506 -0.490 254 HB2 LEU 33 2HB LEU 33 -10.867 -5.953 1.883 255 HB3 LEU 33 3HB LEU 33 -9.429 -6.955 1.871 256 HG LEU 33 HG LEU 33 -9.813 -4.429 0.254 257 HD11 LEU 33 1HD1 LEU 33 -9.606 -3.977 2.641 258 HD12 LEU 33 2HD1 LEU 33 -8.178 -3.440 1.758 259 HD13 LEU 33 3HD1 LEU 33 -8.122 -4.931 2.699 260 HD21 LEU 33 3HD2 LEU 33 -7.376 -6.183 0.585 261 HD22 LEU 33 1HD2 LEU 33 -7.438 -4.647 -0.280 262 HD23 LEU 33 2HD2 LEU 33 -8.355 -6.030 -0.876 263 H LYS 34 H LYS 34 -9.951 -9.608 0.276 264 HA LYS 34 HA LYS 34 -12.320 -10.395 1.821 265 HB2 LYS 34 2HB LYS 34 -12.839 -12.240 0.234 266 HB3 LYS 34 3HB LYS 34 -13.105 -10.632 -0.425 267 HG2 LYS 34 2HG LYS 34 -10.873 -10.805 -1.548 268 HG3 LYS 34 3HG LYS 34 -10.809 -12.489 -1.018 269 HD2 LYS 34 2HD LYS 34 -11.627 -12.391 -3.294 270 HD3 LYS 34 3HD LYS 34 -12.923 -12.922 -2.223 271 HE2 LYS 34 2HE LYS 34 -13.774 -10.575 -2.184 272 HE3 LYS 34 3HE LYS 34 -12.546 -10.153 -3.378 273 HZ1 LYS 34 3HZ LYS 34 -14.630 -10.585 -4.463 274 HZ2 LYS 34 1HZ LYS 34 -14.751 -12.105 -3.737 275 HZ3 LYS 34 2HZ LYS 34 -13.536 -11.806 -4.873 276 H LYS 35 H LYS 35 -9.211 -11.447 0.421 277 HA LYS 35 HA LYS 35 -9.049 -13.454 2.593 278 HB2 LYS 35 2HB LYS 35 -7.541 -14.757 1.143 279 HB3 LYS 35 3HB LYS 35 -9.130 -14.539 0.423 280 HG2 LYS 35 2HG LYS 35 -8.249 -12.754 -0.997 281 HG3 LYS 35 3HG LYS 35 -6.652 -12.969 -0.278 282 HD2 LYS 35 2HD LYS 35 -6.587 -15.275 -1.138 283 HD3 LYS 35 3HD LYS 35 -8.180 -15.041 -1.866 284 HE2 LYS 35 2HE LYS 35 -7.254 -13.219 -3.252 285 HE3 LYS 35 3HE LYS 35 -5.664 -13.509 -2.548 286 HZ1 LYS 35 3HZ LYS 35 -7.228 -15.449 -4.155 287 HZ2 LYS 35 1HZ LYS 35 -5.720 -15.750 -3.458 288 HZ3 LYS 35 2HZ LYS 35 -5.872 -14.593 -4.681 289 H GLN 36 H GLN 36 -6.930 -13.869 3.503 290 HA GLN 36 HA GLN 36 -5.612 -11.514 4.274 291 HB2 GLN 36 2HB GLN 36 -5.625 -13.554 5.644 292 HB3 GLN 36 3HB GLN 36 -4.614 -14.366 4.457 293 HG2 GLN 36 2HG GLN 36 -2.807 -12.785 4.893 294 HG3 GLN 36 3HG GLN 36 -3.818 -11.943 6.062 295 HE21 GLN 36 1HE2 GLN 36 -2.459 -12.324 7.796 296 HE22 GLN 36 2HE2 GLN 36 -2.228 -13.898 8.474 297 H GLY 37 H GLY 37 -4.312 -10.275 3.124 298 HA2 GLY 37 2HA GLY 37 -1.957 -10.332 2.198 299 HA3 GLY 37 3HA GLY 37 -2.602 -11.487 1.045 300 H ASP 38 H ASP 38 -5.114 -10.169 0.616 301 HA ASP 38 HA ASP 38 -4.535 -8.780 -1.679 302 HB2 ASP 38 2HB ASP 38 -6.968 -8.295 0.059 303 HB3 ASP 38 3HB ASP 38 -6.844 -7.997 -1.671 304 H PHE 39 H PHE 39 -3.605 -6.841 -2.072 305 HA PHE 39 HA PHE 39 -4.221 -4.595 -0.274 306 HB2 PHE 39 2HB PHE 39 -1.947 -3.861 -0.135 307 HB3 PHE 39 3HB PHE 39 -1.981 -5.553 0.335 308 HD1 PHE 39 HD1 PHE 39 -1.108 -7.285 -1.227 309 HD2 PHE 39 HD2 PHE 39 -0.698 -3.120 -2.035 310 HE1 PHE 39 HE1 PHE 39 0.660 -7.773 -2.868 311 HE2 PHE 39 HE2 PHE 39 1.060 -3.609 -3.680 312 HZ PHE 39 HZ PHE 39 1.743 -5.938 -4.098 313 H LEU 40 H LEU 40 -4.282 -2.565 -1.200 314 HA LEU 40 HA LEU 40 -3.379 -2.195 -3.956 315 HB2 LEU 40 2HB LEU 40 -5.425 -1.224 -4.740 316 HB3 LEU 40 3HB LEU 40 -5.782 -2.826 -4.127 317 HG LEU 40 HG LEU 40 -6.200 -0.406 -2.387 318 HD11 LEU 40 1HD1 LEU 40 -8.169 -1.506 -4.392 319 HD12 LEU 40 2HD1 LEU 40 -7.396 0.079 -4.447 320 HD13 LEU 40 3HD1 LEU 40 -8.526 -0.307 -3.149 321 HD21 LEU 40 3HD2 LEU 40 -6.299 -2.599 -1.321 322 HD22 LEU 40 1HD2 LEU 40 -7.517 -3.120 -2.484 323 HD23 LEU 40 2HD2 LEU 40 -7.886 -1.831 -1.339 324 H VAL 41 H VAL 41 -3.006 0.005 -4.507 325 HA VAL 41 HA VAL 41 -2.930 1.849 -2.205 326 HB VAL 41 HB VAL 41 -1.337 1.922 -4.784 327 HG11 VAL 41 1HG1 VAL 41 -1.219 3.757 -2.383 328 HG12 VAL 41 2HG1 VAL 41 -1.801 4.185 -3.992 329 HG13 VAL 41 3HG1 VAL 41 -0.102 3.785 -3.750 330 HG21 VAL 41 3HG2 VAL 41 -0.472 1.333 -1.946 331 HG22 VAL 41 1HG2 VAL 41 0.588 1.421 -3.353 332 HG23 VAL 41 2HG2 VAL 41 -0.629 0.150 -3.244 333 H ARG 42 H ARG 42 -4.214 3.590 -2.190 334 HA ARG 42 HA ARG 42 -5.449 4.472 -4.731 335 HB2 ARG 42 2HB ARG 42 -7.471 5.039 -3.544 336 HB3 ARG 42 3HB ARG 42 -7.066 3.371 -3.166 337 HG2 ARG 42 2HG ARG 42 -6.133 4.082 -1.011 338 HG3 ARG 42 3HG ARG 42 -6.527 5.759 -1.397 339 HD2 ARG 42 2HD ARG 42 -8.939 4.947 -1.653 340 HD3 ARG 42 3HD ARG 42 -8.402 3.469 -0.861 341 HE ARG 42 HE ARG 42 -7.865 4.801 1.092 342 HH11 ARG 42 1HH1 ARG 42 -9.755 6.389 -1.310 343 HH12 ARG 42 2HH1 ARG 42 -10.449 7.497 -0.178 344 HH21 ARG 42 1HH2 ARG 42 -8.771 6.269 2.524 345 HH22 ARG 42 2HH2 ARG 42 -9.913 7.427 1.935 346 H GLU 43 H GLU 43 -5.658 6.704 -5.068 347 HA GLU 43 HA GLU 43 -3.812 8.382 -3.604 348 HB2 GLU 43 2HB GLU 43 -4.036 8.541 -6.052 349 HB3 GLU 43 3HB GLU 43 -5.709 9.049 -5.871 350 HG2 GLU 43 2HG GLU 43 -4.984 11.085 -4.736 351 HG3 GLU 43 3HG GLU 43 -3.301 10.568 -4.864 352 H SER 44 H SER 44 -4.288 10.030 -2.206 353 HA SER 44 HA SER 44 -6.726 10.046 -0.781 354 HB2 SER 44 2HB SER 44 -4.556 10.857 0.136 355 HB3 SER 44 3HB SER 44 -4.648 12.254 -0.930 356 HG SER 44 HG SER 44 -5.473 12.316 1.406 357 H HIS 45 H HIS 45 -8.653 10.880 -1.350 358 HA HIS 45 HA HIS 45 -9.116 11.952 -3.879 359 HB2 HIS 45 2HB HIS 45 -10.799 10.768 -2.456 360 HB3 HIS 45 3HB HIS 45 -10.946 12.224 -1.480 361 HD1 HIS 45 HD1 HIS 45 -12.217 14.238 -2.540 362 HD2 HIS 45 HD2 HIS 45 -12.082 10.846 -4.944 363 HE1 HIS 45 HE1 HIS 45 -13.905 14.629 -4.356 364 HE2 HIS 45 HE2 HIS 45 -13.852 12.545 -5.766 365 H GLY 46 H GLY 46 -7.816 13.754 -4.274 366 HA2 GLY 46 2HA GLY 46 -8.103 16.107 -4.680 367 HA3 GLY 46 3HA GLY 46 -8.868 16.257 -3.110 368 H LYS 47 H LYS 47 -6.047 14.333 -3.060 369 HA LYS 47 HA LYS 47 -4.357 16.645 -2.338 370 HB2 LYS 47 2HB LYS 47 -5.352 15.219 -0.381 371 HB3 LYS 47 3HB LYS 47 -4.144 14.034 -0.847 372 HG2 LYS 47 2HG LYS 47 -3.573 16.878 -0.003 373 HG3 LYS 47 3HG LYS 47 -3.419 15.455 1.024 374 HD2 LYS 47 2HD LYS 47 -1.721 14.562 -0.584 375 HD3 LYS 47 3HD LYS 47 -1.814 16.091 -1.460 376 HE2 LYS 47 2HE LYS 47 -0.982 15.755 1.426 377 HE3 LYS 47 3HE LYS 47 0.101 16.039 0.065 378 HZ1 LYS 47 3HZ LYS 47 -0.972 18.171 -0.296 379 HZ2 LYS 47 1HZ LYS 47 -0.346 18.074 1.272 380 HZ3 LYS 47 2HZ LYS 47 -2.007 17.902 1.012 381 HA PRO 48 HA PRO 48 -2.161 14.147 -5.553 382 HB2 PRO 48 2HB PRO 48 -0.753 16.268 -6.566 383 HB3 PRO 48 3HB PRO 48 -2.391 15.850 -7.080 384 HG2 PRO 48 2HG PRO 48 -1.500 17.923 -5.104 385 HG3 PRO 48 3HG PRO 48 -2.730 18.047 -6.378 386 HD2 PRO 48 2HD PRO 48 -3.391 17.640 -3.791 387 HD3 PRO 48 3HD PRO 48 -4.325 16.926 -5.122 388 H GLY 49 H GLY 49 -1.034 13.087 -3.825 389 HA2 GLY 49 2HA GLY 49 1.632 13.117 -3.683 390 HA3 GLY 49 3HA GLY 49 1.248 14.453 -2.609 391 H GLU 50 H GLU 50 -1.199 13.188 -1.589 392 HA GLU 50 HA GLU 50 0.064 11.284 0.258 393 HB2 GLU 50 2HB GLU 50 -1.174 13.124 1.288 394 HB3 GLU 50 3HB GLU 50 -2.622 12.682 0.392 395 HG2 GLU 50 2HG GLU 50 -2.728 10.551 1.582 396 HG3 GLU 50 3HG GLU 50 -1.263 10.967 2.470 397 H TYR 51 H TYR 51 -0.362 9.162 0.216 398 HA TYR 51 HA TYR 51 -2.685 8.188 -1.313 399 HB2 TYR 51 2HB TYR 51 0.178 7.221 -1.511 400 HB3 TYR 51 3HB TYR 51 -1.190 6.293 -2.115 401 HD1 TYR 51 HD2 TYR 51 0.393 9.674 -2.442 402 HD2 TYR 51 HD1 TYR 51 -1.872 6.596 -4.312 403 HE1 TYR 51 HE2 TYR 51 0.506 10.896 -4.569 404 HE2 TYR 51 HE1 TYR 51 -1.761 7.812 -6.444 405 HH TYR 51 HH TYR 51 -1.452 10.175 -7.202 406 H VAL 52 H VAL 52 -3.555 6.186 -0.598 407 HA VAL 52 HA VAL 52 -2.673 5.388 2.109 408 HB VAL 52 HB VAL 52 -5.509 5.350 1.043 409 HG11 VAL 52 1HG1 VAL 52 -4.433 4.746 3.805 410 HG12 VAL 52 2HG1 VAL 52 -5.094 3.573 2.666 411 HG13 VAL 52 3HG1 VAL 52 -6.137 4.814 3.359 412 HG21 VAL 52 3HG2 VAL 52 -5.942 7.182 2.607 413 HG22 VAL 52 1HG2 VAL 52 -4.711 7.638 1.428 414 HG23 VAL 52 2HG2 VAL 52 -4.239 7.201 3.071 415 H LEU 53 H LEU 53 -2.008 3.358 2.295 416 HA LEU 53 HA LEU 53 -2.551 1.394 0.215 417 HB2 LEU 53 2HB LEU 53 -0.284 1.569 1.096 418 HB3 LEU 53 3HB LEU 53 -0.862 1.264 2.722 419 HG LEU 53 HG LEU 53 -1.535 -1.030 2.022 420 HD11 LEU 53 1HD1 LEU 53 -0.172 -0.295 -0.568 421 HD12 LEU 53 2HD1 LEU 53 -1.887 -0.639 -0.343 422 HD13 LEU 53 3HD1 LEU 53 -0.695 -1.916 -0.110 423 HD21 LEU 53 3HD2 LEU 53 0.749 -1.940 1.884 424 HD22 LEU 53 1HD2 LEU 53 0.607 -0.683 3.113 425 HD23 LEU 53 2HD2 LEU 53 1.367 -0.318 1.563 426 H SER 54 H SER 54 -4.209 0.016 0.322 427 HA SER 54 HA SER 54 -5.454 -0.534 2.949 428 HB2 SER 54 2HB SER 54 -6.928 0.643 1.351 429 HB3 SER 54 3HB SER 54 -6.712 -0.663 0.190 430 HG SER 54 HG SER 54 -8.203 -1.737 1.193 431 H VAL 55 H VAL 55 -4.659 -2.434 3.674 432 HA VAL 55 HA VAL 55 -4.615 -4.721 1.804 433 HB VAL 55 HB VAL 55 -2.324 -4.061 2.301 434 HG11 VAL 55 1HG1 VAL 55 -1.416 -4.107 4.559 435 HG12 VAL 55 2HG1 VAL 55 -3.006 -4.506 5.208 436 HG13 VAL 55 3HG1 VAL 55 -2.731 -2.939 4.444 437 HG21 VAL 55 3HG2 VAL 55 -2.782 -6.453 2.023 438 HG22 VAL 55 1HG2 VAL 55 -3.073 -6.604 3.759 439 HG23 VAL 55 2HG2 VAL 55 -1.466 -6.188 3.165 440 H TYR 56 H TYR 56 -5.233 -6.738 2.607 441 HA TYR 56 HA TYR 56 -6.905 -6.629 5.041 442 HB2 TYR 56 2HB TYR 56 -7.945 -7.115 2.786 443 HB3 TYR 56 3HB TYR 56 -7.045 -8.623 2.772 444 HD1 TYR 56 HD1 TYR 56 -9.635 -6.725 4.637 445 HD2 TYR 56 HD2 TYR 56 -7.898 -10.536 3.881 446 HE1 TYR 56 HE1 TYR 56 -11.491 -7.803 5.826 447 HE2 TYR 56 HE2 TYR 56 -9.754 -11.621 5.073 448 HH TYR 56 HH TYR 56 -11.478 -11.157 6.648 449 H SER 57 H SER 57 -6.271 -7.800 6.793 450 HA SER 57 HA SER 57 -4.902 -10.354 6.382 451 HB2 SER 57 2HB SER 57 -3.085 -8.645 6.626 452 HB3 SER 57 3HB SER 57 -3.708 -8.267 8.231 453 HG SER 57 HG SER 57 -3.034 -10.190 8.976 454 H ASP 58 H ASP 58 -5.654 -11.875 7.713 455 HA ASP 58 HA ASP 58 -6.671 -12.938 9.440 456 HB2 ASP 58 2HB ASP 58 -5.551 -10.601 11.010 457 HB3 ASP 58 3HB ASP 58 -6.121 -12.116 11.705 458 H GLY 59 H GLY 59 -8.398 -11.306 7.932 459 HA2 GLY 59 2HA GLY 59 -10.679 -10.897 8.066 460 HA3 GLY 59 3HA GLY 59 -10.592 -11.115 9.804 461 H GLN 60 H GLN 60 -8.251 -8.903 9.097 462 HA GLN 60 HA GLN 60 -10.075 -6.669 9.741 463 HB2 GLN 60 2HB GLN 60 -7.133 -6.976 10.382 464 HB3 GLN 60 3HB GLN 60 -8.146 -5.615 10.844 465 HG2 GLN 60 2HG GLN 60 -9.471 -7.027 12.279 466 HG3 GLN 60 3HG GLN 60 -8.597 -8.458 11.735 467 HE21 GLN 60 1HE2 GLN 60 -6.472 -8.772 12.425 468 HE22 GLN 60 2HE2 GLN 60 -5.822 -7.938 13.788 469 H ARG 61 H ARG 61 -10.043 -4.804 8.572 470 HA ARG 61 HA ARG 61 -8.423 -4.620 6.175 471 HB2 ARG 61 2HB ARG 61 -10.686 -3.093 7.358 472 HB3 ARG 61 3HB ARG 61 -9.591 -2.182 6.333 473 HG2 ARG 61 2HG ARG 61 -11.364 -2.904 4.962 474 HG3 ARG 61 3HG ARG 61 -9.973 -3.902 4.549 475 HD2 ARG 61 2HD ARG 61 -10.876 -5.723 5.923 476 HD3 ARG 61 3HD ARG 61 -12.264 -4.716 6.344 477 HE ARG 61 HE ARG 61 -11.994 -4.933 3.530 478 HH11 ARG 61 1HH1 ARG 61 -13.058 -6.723 6.282 479 HH12 ARG 61 2HH1 ARG 61 -14.136 -7.702 5.350 480 HH21 ARG 61 1HH2 ARG 61 -13.391 -6.168 2.369 481 HH22 ARG 61 2HH2 ARG 61 -14.343 -7.372 3.161 482 H ARG 62 H ARG 62 -6.299 -4.219 6.554 483 HA ARG 62 HA ARG 62 -5.496 -2.252 8.556 484 HB2 ARG 62 2HB ARG 62 -3.873 -4.035 6.724 485 HB3 ARG 62 3HB ARG 62 -3.175 -2.933 7.900 486 HG2 ARG 62 2HG ARG 62 -4.958 -5.288 8.525 487 HG3 ARG 62 3HG ARG 62 -3.206 -5.222 8.732 488 HD2 ARG 62 2HD ARG 62 -3.524 -3.325 10.315 489 HD3 ARG 62 3HD ARG 62 -5.266 -3.551 10.171 490 HE ARG 62 HE ARG 62 -3.793 -5.894 11.009 491 HH11 ARG 62 1HH1 ARG 62 -5.644 -3.144 11.952 492 HH12 ARG 62 2HH1 ARG 62 -5.865 -3.724 13.571 493 HH21 ARG 62 1HH2 ARG 62 -4.102 -6.618 13.102 494 HH22 ARG 62 2HH2 ARG 62 -5.007 -5.640 14.206 495 H HIS 63 H HIS 63 -5.486 -0.159 8.017 496 HA HIS 63 HA HIS 63 -4.879 0.587 5.217 497 HB2 HIS 63 2HB HIS 63 -6.485 2.104 7.291 498 HB3 HIS 63 3HB HIS 63 -6.151 2.660 5.654 499 HD1 HIS 63 HD1 HIS 63 -7.397 1.455 3.720 500 HD2 HIS 63 HD2 HIS 63 -8.531 0.222 7.518 501 HE1 HIS 63 HE1 HIS 63 -9.522 0.169 3.396 502 HE2 HIS 63 HE2 HIS 63 -10.307 -0.345 5.725 503 H PHE 64 H PHE 64 -2.929 1.451 4.926 504 HA PHE 64 HA PHE 64 -1.662 2.919 7.155 505 HB2 PHE 64 2HB PHE 64 -0.298 1.497 4.855 506 HB3 PHE 64 3HB PHE 64 0.496 2.269 6.225 507 HD1 PHE 64 HD2 PHE 64 -0.189 1.354 8.584 508 HD2 PHE 64 HD1 PHE 64 -0.716 -0.778 4.932 509 HE1 PHE 64 HE2 PHE 64 -0.284 -0.762 9.830 510 HE2 PHE 64 HE1 PHE 64 -0.814 -2.892 6.183 511 HZ PHE 64 HZ PHE 64 -0.596 -2.886 8.632 512 H ILE 65 H ILE 65 -1.517 5.050 6.871 513 HA ILE 65 HA ILE 65 -1.893 6.256 4.264 514 HB ILE 65 HB ILE 65 -1.286 7.580 6.921 515 HG12 ILE 65 2HG1 ILE 65 -3.955 7.157 5.541 516 HG13 ILE 65 3HG1 ILE 65 -3.390 6.261 6.949 517 HG21 ILE 65 1HG2 ILE 65 -0.751 9.011 5.013 518 HG22 ILE 65 2HG2 ILE 65 -2.167 9.619 5.870 519 HG23 ILE 65 3HG2 ILE 65 -2.364 8.749 4.347 520 HD11 ILE 65 3HD1 ILE 65 -3.358 8.340 8.245 521 HD12 ILE 65 1HD1 ILE 65 -4.958 7.994 7.589 522 HD13 ILE 65 2HD1 ILE 65 -3.942 9.222 6.835 523 H ILE 66 H ILE 66 -0.323 7.077 2.962 524 HA ILE 66 HA ILE 66 2.460 6.678 3.697 525 HB ILE 66 HB ILE 66 1.259 7.720 1.115 526 HG12 ILE 66 2HG1 ILE 66 2.313 4.967 1.841 527 HG13 ILE 66 3HG1 ILE 66 0.621 5.388 1.593 528 HG21 ILE 66 1HG2 ILE 66 3.474 7.271 0.143 529 HG22 ILE 66 2HG2 ILE 66 4.085 6.842 1.742 530 HG23 ILE 66 3HG2 ILE 66 3.551 8.492 1.413 531 HD11 ILE 66 3HD1 ILE 66 1.572 4.233 -0.329 532 HD12 ILE 66 1HD1 ILE 66 2.779 5.505 -0.504 533 HD13 ILE 66 2HD1 ILE 66 1.071 5.870 -0.746 534 H GLN 67 H GLN 67 3.561 8.215 4.760 535 HA GLN 67 HA GLN 67 2.861 11.040 4.440 536 HB2 GLN 67 2HB GLN 67 4.910 9.709 6.235 537 HB3 GLN 67 3HB GLN 67 4.587 11.434 6.198 538 HG2 GLN 67 2HG GLN 67 3.432 10.590 8.064 539 HG3 GLN 67 3HG GLN 67 2.208 10.896 6.832 540 HE21 GLN 67 1HE2 GLN 67 0.768 9.442 7.756 541 HE22 GLN 67 2HE2 GLN 67 0.998 7.733 7.654 542 H TYR 68 H TYR 68 3.936 12.416 3.160 543 HA TYR 68 HA TYR 68 6.310 11.446 1.740 544 HB2 TYR 68 2HB TYR 68 4.332 12.400 0.499 545 HB3 TYR 68 3HB TYR 68 4.697 13.959 1.227 546 HD1 TYR 68 HD1 TYR 68 6.887 11.345 -0.314 547 HD2 TYR 68 HD2 TYR 68 5.497 15.371 -0.447 548 HE1 TYR 68 HE1 TYR 68 8.415 11.806 -2.180 549 HE2 TYR 68 HE2 TYR 68 7.028 15.838 -2.314 550 HH TYR 68 HH TYR 68 8.745 13.311 -3.952 551 H VAL 69 H VAL 69 8.032 11.737 3.080 552 HA VAL 69 HA VAL 69 8.610 14.483 4.018 553 HB VAL 69 HB VAL 69 9.111 11.943 5.602 554 HG11 VAL 69 1HG1 VAL 69 9.815 13.447 7.414 555 HG12 VAL 69 2HG1 VAL 69 9.615 14.831 6.340 556 HG13 VAL 69 3HG1 VAL 69 10.845 13.616 5.990 557 HG21 VAL 69 3HG2 VAL 69 7.130 14.169 6.115 558 HG22 VAL 69 1HG2 VAL 69 7.433 12.790 7.173 559 HG23 VAL 69 2HG2 VAL 69 6.737 12.537 5.573 560 H ASP 70 H ASP 70 10.760 15.135 3.870 561 HA ASP 70 HA ASP 70 12.859 15.242 2.994 562 HB2 ASP 70 2HB ASP 70 12.891 12.248 3.489 563 HB3 ASP 70 3HB ASP 70 14.303 13.244 3.156 564 H ASN 71 H ASN 71 10.551 14.744 1.215 565 HA ASN 71 HA ASN 71 10.043 14.271 -0.948 566 HB2 ASN 71 2HB ASN 71 13.053 14.071 -1.261 567 HB3 ASN 71 3HB ASN 71 11.908 14.060 -2.599 568 HD21 ASN 71 1HD2 ASN 71 13.351 15.982 -0.088 569 HD22 ASN 71 2HD2 ASN 71 12.858 17.514 -0.709 570 H MET 72 H MET 72 10.443 12.125 1.124 571 HA MET 72 HA MET 72 10.554 9.829 -0.732 572 HB2 MET 72 2HB MET 72 11.502 9.843 2.146 573 HB3 MET 72 3HB MET 72 11.545 8.473 1.046 574 HG2 MET 72 2HG MET 72 13.134 9.678 -0.383 575 HG3 MET 72 3HG MET 72 13.101 11.037 0.743 576 HE1 MET 72 3HE MET 72 15.835 9.755 -0.129 577 HE2 MET 72 1HE MET 72 16.657 9.630 1.428 578 HE3 MET 72 2HE MET 72 15.687 11.056 1.052 579 H TYR 73 H TYR 73 8.840 8.498 -0.690 580 HA TYR 73 HA TYR 73 6.625 8.982 1.113 581 HB2 TYR 73 2HB TYR 73 7.003 6.906 -1.069 582 HB3 TYR 73 3HB TYR 73 5.496 7.205 -0.213 583 HD1 TYR 73 HD2 TYR 73 4.230 9.297 -0.620 584 HD2 TYR 73 HD1 TYR 73 7.751 8.373 -2.834 585 HE1 TYR 73 HE2 TYR 73 3.619 10.992 -2.293 586 HE2 TYR 73 HE1 TYR 73 7.151 10.066 -4.510 587 HH TYR 73 HH TYR 73 5.158 11.232 -5.323 588 H ARG 74 H ARG 74 6.183 7.842 2.963 589 HA ARG 74 HA ARG 74 7.606 5.305 3.433 590 HB2 ARG 74 2HB ARG 74 8.472 6.051 5.564 591 HB3 ARG 74 3HB ARG 74 9.009 7.152 4.303 592 HG2 ARG 74 2HG ARG 74 7.133 8.683 4.956 593 HG3 ARG 74 3HG ARG 74 6.836 7.619 6.333 594 HD2 ARG 74 2HD ARG 74 8.205 9.444 7.074 595 HD3 ARG 74 3HD ARG 74 9.201 7.988 7.043 596 HE ARG 74 HE ARG 74 9.446 9.365 4.591 597 HH11 ARG 74 1HH1 ARG 74 10.408 9.605 7.890 598 HH12 ARG 74 2HH1 ARG 74 11.796 10.572 7.531 599 HH21 ARG 74 1HH2 ARG 74 11.232 10.619 4.144 600 HH22 ARG 74 2HH2 ARG 74 12.245 11.149 5.442 601 H PHE 75 H PHE 75 6.901 4.177 5.414 602 HA PHE 75 HA PHE 75 4.107 4.780 6.187 603 HB2 PHE 75 2HB PHE 75 5.463 2.088 5.899 604 HB3 PHE 75 3HB PHE 75 3.886 2.318 6.641 605 HD1 PHE 75 HD1 PHE 75 2.041 3.354 5.199 606 HD2 PHE 75 HD2 PHE 75 5.652 1.752 3.600 607 HE1 PHE 75 HE1 PHE 75 0.952 3.092 3.010 608 HE2 PHE 75 HE2 PHE 75 4.567 1.496 1.408 609 HZ PHE 75 HZ PHE 75 2.216 2.163 1.111 610 H GLU 76 H GLU 76 6.486 2.476 7.481 611 HA GLU 76 HA GLU 76 5.878 3.174 10.194 612 HB2 GLU 76 2HB GLU 76 6.455 0.873 9.477 613 HB3 GLU 76 3HB GLU 76 8.075 1.412 9.071 614 HG2 GLU 76 2HG GLU 76 8.178 0.296 11.165 615 HG3 GLU 76 3HG GLU 76 8.406 2.016 11.465 616 H GLY 77 H GLY 77 9.109 3.005 8.701 617 HA2 GLY 77 2HA GLY 77 9.703 5.729 9.645 618 HA3 GLY 77 3HA GLY 77 10.740 4.413 10.179 619 H THR 78 H THR 78 10.756 2.935 7.738 620 HA THR 78 HA THR 78 12.683 4.453 6.214 621 HB THR 78 HB THR 78 13.036 2.051 6.545 622 HG1 THR 78 HG1 THR 78 13.966 1.992 4.641 623 HG21 THR 78 3HG2 THR 78 10.562 1.678 4.841 624 HG22 THR 78 1HG2 THR 78 10.694 1.313 6.562 625 HG23 THR 78 2HG2 THR 78 11.639 0.395 5.388 626 H GLY 79 H GLY 79 12.550 4.857 3.907 627 HA2 GLY 79 2HA GLY 79 9.946 4.760 2.625 628 HA3 GLY 79 3HA GLY 79 10.472 6.375 3.071 629 H PHE 80 H PHE 80 9.931 5.616 0.437 630 HA PHE 80 HA PHE 80 12.620 5.717 -0.790 631 HB2 PHE 80 2HB PHE 80 10.177 4.218 -1.774 632 HB3 PHE 80 3HB PHE 80 11.618 4.486 -2.750 633 HD1 PHE 80 HD1 PHE 80 10.377 2.870 0.351 634 HD2 PHE 80 HD2 PHE 80 13.505 3.101 -2.528 635 HE1 PHE 80 HE1 PHE 80 11.403 0.853 1.310 636 HE2 PHE 80 HE2 PHE 80 14.536 1.081 -1.574 637 HZ PHE 80 HZ PHE 80 13.485 -0.046 0.349 638 H SER 81 H SER 81 12.870 7.032 -2.613 639 HA SER 81 HA SER 81 11.530 9.462 -2.647 640 HB2 SER 81 2HB SER 81 13.027 8.224 -4.975 641 HB3 SER 81 3HB SER 81 12.714 9.940 -4.730 642 HG SER 81 HG SER 81 14.833 9.313 -4.082 643 H ASN 82 H ASN 82 10.645 6.507 -4.259 644 HA ASN 82 HA ASN 82 8.435 7.910 -5.630 645 HB2 ASN 82 2HB ASN 82 10.070 5.596 -6.708 646 HB3 ASN 82 3HB ASN 82 8.631 6.257 -7.480 647 HD21 ASN 82 1HD2 ASN 82 11.965 6.838 -6.667 648 HD22 ASN 82 2HD2 ASN 82 12.204 8.162 -7.745 649 H ILE 83 H ILE 83 6.434 6.929 -5.591 650 HA ILE 83 HA ILE 83 5.817 5.148 -3.506 651 HB ILE 83 HB ILE 83 4.152 5.827 -5.938 652 HG12 ILE 83 2HG1 ILE 83 4.188 7.029 -3.155 653 HG13 ILE 83 3HG1 ILE 83 4.834 7.791 -4.605 654 HG21 ILE 83 1HG2 ILE 83 2.224 5.144 -4.567 655 HG22 ILE 83 2HG2 ILE 83 3.330 4.611 -3.298 656 HG23 ILE 83 3HG2 ILE 83 3.331 3.806 -4.867 657 HD11 ILE 83 3HD1 ILE 83 2.588 7.851 -5.562 658 HD12 ILE 83 1HD1 ILE 83 2.682 8.712 -4.026 659 HD13 ILE 83 2HD1 ILE 83 1.949 7.109 -4.093 660 HA PRO 84 HA PRO 84 5.393 1.686 -7.058 661 HB2 PRO 84 2HB PRO 84 7.440 2.155 -8.937 662 HB3 PRO 84 3HB PRO 84 5.707 2.330 -9.217 663 HG2 PRO 84 2HG PRO 84 7.742 4.409 -8.560 664 HG3 PRO 84 3HG PRO 84 6.322 4.520 -9.616 665 HD2 PRO 84 2HD PRO 84 6.324 5.627 -7.179 666 HD3 PRO 84 3HD PRO 84 4.864 4.852 -7.830 667 H GLN 85 H GLN 85 8.580 3.275 -6.625 668 HA GLN 85 HA GLN 85 10.083 0.941 -6.175 669 HB2 GLN 85 2HB GLN 85 10.537 3.745 -5.128 670 HB3 GLN 85 3HB GLN 85 11.725 2.452 -5.061 671 HG2 GLN 85 2HG GLN 85 10.578 3.679 -7.566 672 HG3 GLN 85 3HG GLN 85 12.179 3.980 -6.895 673 HE21 GLN 85 1HE2 GLN 85 10.197 1.781 -8.679 674 HE22 GLN 85 2HE2 GLN 85 11.457 0.692 -9.128 675 H LEU 86 H LEU 86 8.417 3.082 -3.873 676 HA LEU 86 HA LEU 86 9.198 1.913 -1.476 677 HB2 LEU 86 2HB LEU 86 8.001 4.006 -1.548 678 HB3 LEU 86 3HB LEU 86 6.596 3.231 -2.253 679 HG LEU 86 HG LEU 86 6.280 1.966 -0.119 680 HD11 LEU 86 1HD1 LEU 86 8.580 2.037 0.700 681 HD12 LEU 86 2HD1 LEU 86 7.457 2.700 1.886 682 HD13 LEU 86 3HD1 LEU 86 8.455 3.784 0.918 683 HD21 LEU 86 3HD2 LEU 86 5.018 4.003 -0.580 684 HD22 LEU 86 1HD2 LEU 86 6.311 4.978 0.125 685 HD23 LEU 86 2HD2 LEU 86 5.387 3.867 1.138 686 H ILE 87 H ILE 87 6.194 1.215 -3.291 687 HA ILE 87 HA ILE 87 5.401 -0.929 -1.610 688 HB ILE 87 HB ILE 87 4.537 -0.331 -4.448 689 HG12 ILE 87 2HG1 ILE 87 4.105 1.552 -2.943 690 HG13 ILE 87 3HG1 ILE 87 2.592 0.773 -3.390 691 HG21 ILE 87 1HG2 ILE 87 4.003 -2.624 -3.841 692 HG22 ILE 87 2HG2 ILE 87 2.532 -1.654 -3.914 693 HG23 ILE 87 3HG2 ILE 87 3.234 -2.075 -2.352 694 HD11 ILE 87 3HD1 ILE 87 4.063 0.443 -0.785 695 HD12 ILE 87 1HD1 ILE 87 2.567 -0.382 -1.225 696 HD13 ILE 87 2HD1 ILE 87 2.590 1.373 -1.053 697 H ASP 88 H ASP 88 6.865 -0.934 -4.875 698 HA ASP 88 HA ASP 88 6.929 -3.697 -5.249 699 HB2 ASP 88 2HB ASP 88 7.337 -2.074 -7.051 700 HB3 ASP 88 3HB ASP 88 8.873 -1.628 -6.313 701 H HIS 89 H HIS 89 9.439 -1.579 -3.834 702 HA HIS 89 HA HIS 89 11.368 -3.598 -3.486 703 HB2 HIS 89 2HB HIS 89 11.693 -1.064 -3.328 704 HB3 HIS 89 3HB HIS 89 11.120 -1.200 -1.669 705 HD1 HIS 89 HD1 HIS 89 12.722 -2.260 0.055 706 HD2 HIS 89 HD2 HIS 89 14.244 -2.145 -3.813 707 HE1 HIS 89 HE1 HIS 89 15.167 -2.775 0.276 708 HE2 HIS 89 HE2 HIS 89 16.091 -2.536 -2.048 709 H HIS 90 H HIS 90 8.747 -2.503 -1.336 710 HA HIS 90 HA HIS 90 9.453 -4.232 0.830 711 HB2 HIS 90 2HB HIS 90 6.968 -2.718 0.083 712 HB3 HIS 90 3HB HIS 90 6.889 -3.926 1.360 713 HD1 HIS 90 HD1 HIS 90 8.312 -0.551 0.576 714 HD2 HIS 90 HD2 HIS 90 8.141 -3.219 3.756 715 HE1 HIS 90 HE1 HIS 90 9.106 0.739 2.580 716 HE2 HIS 90 HE2 HIS 90 8.874 -0.856 4.511 717 H TYR 91 H TYR 91 7.239 -4.595 -1.922 718 HA TYR 91 HA TYR 91 6.151 -7.095 -1.211 719 HB2 TYR 91 2HB TYR 91 5.073 -5.709 -2.869 720 HB3 TYR 91 3HB TYR 91 6.488 -5.770 -3.911 721 HD1 TYR 91 HD1 TYR 91 3.638 -7.733 -2.603 722 HD2 TYR 91 HD2 TYR 91 6.866 -7.635 -5.382 723 HE1 TYR 91 HE1 TYR 91 2.706 -9.700 -3.753 724 HE2 TYR 91 HE2 TYR 91 5.938 -9.594 -6.537 725 HH TYR 91 HH TYR 91 4.448 -11.541 -5.940 726 H THR 92 H THR 92 8.955 -6.279 -3.231 727 HA THR 92 HA THR 92 9.482 -8.986 -4.005 728 HB THR 92 HB THR 92 11.647 -8.054 -4.894 729 HG1 THR 92 HG1 THR 92 10.734 -5.450 -4.542 730 HG21 THR 92 3HG2 THR 92 9.102 -6.616 -5.690 731 HG22 THR 92 1HG2 THR 92 9.658 -8.170 -6.311 732 HG23 THR 92 2HG2 THR 92 10.573 -6.704 -6.660 733 H THR 93 H THR 93 10.605 -6.932 -1.380 734 HA THR 93 HA THR 93 12.581 -8.923 -0.534 735 HB THR 93 HB THR 93 13.077 -7.403 1.337 736 HG1 THR 93 HG1 THR 93 11.619 -5.278 0.428 737 HG21 THR 93 3HG2 THR 93 13.958 -5.509 0.034 738 HG22 THR 93 1HG2 THR 93 12.963 -5.997 -1.339 739 HG23 THR 93 2HG2 THR 93 14.259 -7.049 -0.771 740 H LYS 94 H LYS 94 9.290 -8.345 -0.111 741 HA LYS 94 HA LYS 94 7.664 -9.240 1.188 742 HB2 LYS 94 2HB LYS 94 9.412 -11.295 0.772 743 HB3 LYS 94 3HB LYS 94 9.420 -11.226 2.529 744 HG2 LYS 94 2HG LYS 94 7.783 -12.835 1.718 745 HG3 LYS 94 3HG LYS 94 6.988 -11.499 2.557 746 HD2 LYS 94 2HD LYS 94 6.382 -10.476 0.445 747 HD3 LYS 94 3HD LYS 94 7.289 -11.700 -0.446 748 HE2 LYS 94 2HE LYS 94 5.752 -13.429 0.390 749 HE3 LYS 94 3HE LYS 94 4.846 -12.194 1.266 750 HZ1 LYS 94 3HZ LYS 94 3.844 -12.807 -0.883 751 HZ2 LYS 94 1HZ LYS 94 5.219 -12.229 -1.682 752 HZ3 LYS 94 2HZ LYS 94 4.246 -11.165 -0.800 753 H GLN 95 H GLN 95 9.482 -7.135 2.201 754 HA GLN 95 HA GLN 95 9.722 -7.596 5.061 755 HB2 GLN 95 2HB GLN 95 11.279 -6.216 3.383 756 HB3 GLN 95 3HB GLN 95 10.192 -4.906 3.820 757 HG2 GLN 95 2HG GLN 95 11.710 -6.557 5.837 758 HG3 GLN 95 3HG GLN 95 12.318 -5.057 5.147 759 HE21 GLN 95 1HE2 GLN 95 9.714 -3.772 5.126 760 HE22 GLN 95 2HE2 GLN 95 9.343 -3.395 6.768 761 H VAL 96 H VAL 96 8.374 -6.813 6.618 762 HA VAL 96 HA VAL 96 5.703 -6.289 5.975 763 HB VAL 96 HB VAL 96 5.348 -5.773 8.355 764 HG11 VAL 96 1HG1 VAL 96 7.198 -8.117 7.907 765 HG12 VAL 96 2HG1 VAL 96 5.458 -8.102 7.625 766 HG13 VAL 96 3HG1 VAL 96 6.088 -7.918 9.261 767 HG21 VAL 96 3HG2 VAL 96 7.367 -4.473 8.800 768 HG22 VAL 96 1HG2 VAL 96 8.363 -5.914 8.581 769 HG23 VAL 96 2HG2 VAL 96 7.235 -5.817 9.935 770 H ILE 97 H ILE 97 4.383 -4.482 6.085 771 HA ILE 97 HA ILE 97 5.464 -1.995 5.277 772 HB ILE 97 HB ILE 97 2.705 -2.633 6.354 773 HG12 ILE 97 2HG1 ILE 97 3.276 -3.899 4.331 774 HG13 ILE 97 3HG1 ILE 97 2.048 -2.688 3.976 775 HG21 ILE 97 1HG2 ILE 97 3.631 -0.199 4.815 776 HG22 ILE 97 2HG2 ILE 97 3.201 -0.236 6.524 777 HG23 ILE 97 3HG2 ILE 97 1.973 -0.556 5.301 778 HD11 ILE 97 3HD1 ILE 97 4.989 -2.459 3.364 779 HD12 ILE 97 1HD1 ILE 97 3.765 -1.235 3.014 780 HD13 ILE 97 2HD1 ILE 97 3.702 -2.803 2.209 781 H THR 98 H THR 98 3.709 -2.755 8.305 782 HA THR 98 HA THR 98 5.539 -0.962 9.773 783 HB THR 98 HB THR 98 3.698 -0.182 11.196 784 HG1 THR 98 HG1 THR 98 1.535 -0.711 10.626 785 HG21 THR 98 3HG2 THR 98 4.242 1.169 9.221 786 HG22 THR 98 1HG2 THR 98 2.522 1.258 9.602 787 HG23 THR 98 2HG2 THR 98 3.078 0.249 8.268 788 H LYS 99 H LYS 99 6.237 -1.749 11.736 789 HA LYS 99 HA LYS 99 5.775 -4.485 12.404 790 HB2 LYS 99 2HB LYS 99 7.204 -2.215 13.770 791 HB3 LYS 99 3HB LYS 99 6.970 -3.746 14.601 792 HG2 LYS 99 2HG LYS 99 8.377 -3.412 11.952 793 HG3 LYS 99 3HG LYS 99 9.174 -3.579 13.520 794 HD2 LYS 99 2HD LYS 99 8.114 -5.792 13.800 795 HD3 LYS 99 3HD LYS 99 7.366 -5.625 12.212 796 HE2 LYS 99 2HE LYS 99 9.354 -7.023 12.087 797 HE3 LYS 99 3HE LYS 99 9.590 -5.531 11.178 798 HZ1 LYS 99 3HZ LYS 99 10.555 -5.930 13.953 799 HZ2 LYS 99 1HZ LYS 99 10.938 -4.655 12.909 800 HZ3 LYS 99 2HZ LYS 99 11.503 -6.218 12.586 801 H LYS 100 H LYS 100 4.260 -1.511 13.316 802 HA LYS 100 HA LYS 100 2.973 -2.316 15.691 803 HB2 LYS 100 2HB LYS 100 2.356 -0.214 13.625 804 HB3 LYS 100 3HB LYS 100 1.275 -0.487 14.981 805 HG2 LYS 100 2HG LYS 100 2.852 1.380 15.344 806 HG3 LYS 100 3HG LYS 100 2.987 0.109 16.559 807 HD2 LYS 100 2HD LYS 100 4.988 -0.744 15.531 808 HD3 LYS 100 3HD LYS 100 4.802 0.344 14.155 809 HE2 LYS 100 2HE LYS 100 5.229 1.263 17.002 810 HE3 LYS 100 3HE LYS 100 6.522 1.065 15.820 811 HZ1 LYS 100 3HZ LYS 100 5.492 2.720 14.424 812 HZ2 LYS 100 1HZ LYS 100 5.741 3.363 15.968 813 HZ3 LYS 100 2HZ LYS 100 4.193 2.879 15.496 814 H SER 101 H SER 101 2.372 -3.225 12.425 815 HA SER 101 HA SER 101 -0.163 -4.516 13.251 816 HB2 SER 101 2HB SER 101 0.574 -3.497 10.493 817 HB3 SER 101 3HB SER 101 -0.895 -4.391 10.884 818 HG SER 101 HG SER 101 -1.473 -2.677 12.287 819 H GLY 102 H GLY 102 2.878 -4.882 11.538 820 HA2 GLY 102 2HA GLY 102 4.062 -6.760 10.936 821 HA3 GLY 102 3HA GLY 102 2.926 -7.703 11.881 822 H VAL 103 H VAL 103 2.394 -5.689 8.983 823 HA VAL 103 HA VAL 103 1.080 -8.013 7.737 824 HB VAL 103 HB VAL 103 0.799 -5.086 7.021 825 HG11 VAL 103 1HG1 VAL 103 -1.130 -5.853 5.676 826 HG12 VAL 103 2HG1 VAL 103 -0.698 -7.525 6.042 827 HG13 VAL 103 3HG1 VAL 103 0.401 -6.517 5.101 828 HG21 VAL 103 3HG2 VAL 103 -0.149 -5.543 9.217 829 HG22 VAL 103 1HG2 VAL 103 -1.057 -6.910 8.566 830 HG23 VAL 103 2HG2 VAL 103 -1.438 -5.267 8.046 831 H VAL 104 H VAL 104 1.913 -8.965 6.008 832 HA VAL 104 HA VAL 104 4.210 -7.756 4.620 833 HB VAL 104 HB VAL 104 3.207 -10.615 4.495 834 HG11 VAL 104 1HG1 VAL 104 5.808 -9.380 3.583 835 HG12 VAL 104 2HG1 VAL 104 4.521 -10.006 2.549 836 HG13 VAL 104 3HG1 VAL 104 5.440 -11.105 3.578 837 HG21 VAL 104 3HG2 VAL 104 5.051 -11.181 6.006 838 HG22 VAL 104 1HG2 VAL 104 3.911 -10.072 6.769 839 HG23 VAL 104 2HG2 VAL 104 5.454 -9.470 6.160 840 H LEU 105 H LEU 105 4.301 -7.800 2.270 841 HA LEU 105 HA LEU 105 1.684 -7.354 1.077 842 HB2 LEU 105 2HB LEU 105 4.469 -6.894 0.009 843 HB3 LEU 105 3HB LEU 105 3.004 -6.537 -0.885 844 HG LEU 105 HG LEU 105 3.890 -5.221 1.692 845 HD11 LEU 105 1HD1 LEU 105 3.666 -4.143 -1.120 846 HD12 LEU 105 2HD1 LEU 105 5.163 -4.496 -0.258 847 HD13 LEU 105 3HD1 LEU 105 4.101 -3.210 0.315 848 HD21 LEU 105 3HD2 LEU 105 1.942 -3.749 1.389 849 HD22 LEU 105 1HD2 LEU 105 1.461 -5.426 1.651 850 HD23 LEU 105 2HD2 LEU 105 1.412 -4.737 0.028 851 H LEU 106 H LEU 106 0.633 -9.069 0.307 852 HA LEU 106 HA LEU 106 1.895 -10.517 -1.896 853 HB2 LEU 106 2HB LEU 106 0.861 -12.665 -1.210 854 HB3 LEU 106 3HB LEU 106 2.139 -12.128 -0.141 855 HG LEU 106 HG LEU 106 -0.767 -11.658 0.521 856 HD11 LEU 106 1HD1 LEU 106 -0.728 -13.695 1.861 857 HD12 LEU 106 2HD1 LEU 106 0.894 -14.067 1.272 858 HD13 LEU 106 3HD1 LEU 106 -0.474 -14.062 0.155 859 HD21 LEU 106 3HD2 LEU 106 0.825 -10.358 1.814 860 HD22 LEU 106 1HD2 LEU 106 1.745 -11.814 2.197 861 HD23 LEU 106 2HD2 LEU 106 0.110 -11.610 2.831 862 H ASN 107 H ASN 107 0.109 -11.765 -3.157 863 HA ASN 107 HA ASN 107 -1.653 -11.546 -4.561 864 HB2 ASN 107 2HB ASN 107 -3.290 -10.380 -2.324 865 HB3 ASN 107 3HB ASN 107 -3.791 -11.438 -3.635 866 HD21 ASN 107 1HD2 ASN 107 -4.365 -11.771 -0.912 867 HD22 ASN 107 2HD2 ASN 107 -3.615 -13.234 -0.377 868 HA PRO 108 HA PRO 108 -1.215 -6.973 -5.247 869 HB2 PRO 108 2HB PRO 108 -0.362 -7.148 -7.818 870 HB3 PRO 108 3HB PRO 108 0.742 -7.253 -6.441 871 HG2 PRO 108 2HG PRO 108 -0.427 -9.455 -8.104 872 HG3 PRO 108 3HG PRO 108 1.231 -9.267 -7.504 873 HD2 PRO 108 2HD PRO 108 -0.614 -10.892 -6.316 874 HD3 PRO 108 3HD PRO 108 0.701 -10.103 -5.419 875 H ILE 109 H ILE 109 -3.379 -6.474 -5.283 876 HA ILE 109 HA ILE 109 -5.301 -7.727 -6.946 877 HB ILE 109 HB ILE 109 -5.480 -5.059 -5.524 878 HG12 ILE 109 2HG1 ILE 109 -5.011 -6.890 -3.967 879 HG13 ILE 109 3HG1 ILE 109 -6.667 -6.333 -3.764 880 HG21 ILE 109 1HG2 ILE 109 -7.667 -6.818 -6.654 881 HG22 ILE 109 2HG2 ILE 109 -7.179 -5.234 -7.256 882 HG23 ILE 109 3HG2 ILE 109 -7.922 -5.380 -5.664 883 HD11 ILE 109 3HD1 ILE 109 -6.516 -8.757 -3.648 884 HD12 ILE 109 1HD1 ILE 109 -5.817 -8.802 -5.266 885 HD13 ILE 109 2HD1 ILE 109 -7.476 -8.249 -5.036 886 HA PRO 110 HA PRO 110 -3.979 -5.499 -10.637 887 HB2 PRO 110 2HB PRO 110 -5.543 -6.833 -12.408 888 HB3 PRO 110 3HB PRO 110 -4.076 -7.535 -11.714 889 HG2 PRO 110 2HG PRO 110 -6.935 -7.946 -10.903 890 HG3 PRO 110 3HG PRO 110 -5.649 -9.150 -11.109 891 HD2 PRO 110 2HD PRO 110 -6.372 -8.199 -8.676 892 HD3 PRO 110 3HD PRO 110 -4.704 -8.679 -9.051 893 H LYS 111 H LYS 111 -4.826 -3.949 -12.064 894 HA LYS 111 HA LYS 111 -7.463 -2.899 -11.296 895 HB2 LYS 111 2HB LYS 111 -6.723 -0.768 -12.213 896 HB3 LYS 111 3HB LYS 111 -5.554 -1.365 -11.041 897 HG2 LYS 111 2HG LYS 111 -4.054 -2.048 -12.789 898 HG3 LYS 111 3HG LYS 111 -5.256 -1.676 -14.029 899 HD2 LYS 111 2HD LYS 111 -5.183 0.701 -13.321 900 HD3 LYS 111 3HD LYS 111 -3.893 0.293 -12.186 901 HE2 LYS 111 2HE LYS 111 -3.788 -0.019 -15.190 902 HE3 LYS 111 3HE LYS 111 -2.990 1.242 -14.251 903 HZ1 LYS 111 3HZ LYS 111 -1.706 -0.505 -13.133 904 HZ2 LYS 111 1HZ LYS 111 -1.429 -0.481 -14.800 905 HZ3 LYS 111 2HZ LYS 111 -2.418 -1.673 -14.125 906 H ASP 112 H ASP 112 -9.102 -2.701 -12.717 907 HA ASP 112 HA ASP 112 -8.674 -3.602 -15.481 908 HB2 ASP 112 2HB ASP 112 -11.131 -3.386 -13.751 909 HB3 ASP 112 3HB ASP 112 -11.258 -3.559 -15.498 910 H LYS 113 H LYS 113 -8.410 -2.126 -16.998 911 HA LYS 113 HA LYS 113 -9.003 0.650 -16.538 912 HB2 LYS 113 2HB LYS 113 -8.191 0.807 -19.015 913 HB3 LYS 113 3HB LYS 113 -7.049 0.431 -17.738 914 HG2 LYS 113 2HG LYS 113 -6.603 -0.965 -19.634 915 HG3 LYS 113 3HG LYS 113 -7.220 -1.964 -18.323 916 HD2 LYS 113 2HD LYS 113 -9.420 -2.026 -19.379 917 HD3 LYS 113 3HD LYS 113 -8.848 -0.961 -20.666 918 HE2 LYS 113 2HE LYS 113 -8.880 -3.298 -21.391 919 HE3 LYS 113 3HE LYS 113 -7.236 -2.661 -21.368 920 HZ1 LYS 113 3HZ LYS 113 -6.816 -3.789 -19.312 921 HZ2 LYS 113 1HZ LYS 113 -7.433 -4.909 -20.418 922 HZ3 LYS 113 2HZ LYS 113 -8.425 -4.300 -19.194 923 H LYS 114 H LYS 114 -11.364 -0.848 -16.441 924 HA LYS 114 HA LYS 114 -12.857 -0.296 -18.881 925 HB2 LYS 114 2HB LYS 114 -13.754 -1.381 -16.194 926 HB3 LYS 114 3HB LYS 114 -14.778 -1.245 -17.614 927 HG2 LYS 114 2HG LYS 114 -12.292 -2.945 -17.435 928 HG3 LYS 114 3HG LYS 114 -13.944 -3.534 -17.232 929 HD2 LYS 114 2HD LYS 114 -14.468 -2.804 -19.528 930 HD3 LYS 114 3HD LYS 114 -12.803 -2.252 -19.725 931 HE2 LYS 114 2HE LYS 114 -13.114 -4.443 -20.750 932 HE3 LYS 114 3HE LYS 114 -12.002 -4.544 -19.385 933 HZ1 LYS 114 3HZ LYS 114 -13.598 -6.371 -19.413 934 HZ2 LYS 114 1HZ LYS 114 -14.884 -5.276 -19.305 935 HZ3 LYS 114 2HZ LYS 114 -13.786 -5.421 -18.028 936 H TRP 115 H TRP 115 -14.970 0.916 -18.666 937 HA TRP 115 HA TRP 115 -14.557 3.343 -17.040 938 HB2 TRP 115 2HB TRP 115 -16.266 2.920 -19.510 939 HB3 TRP 115 3HB TRP 115 -16.062 4.450 -18.658 940 HD1 TRP 115 HD1 TRP 115 -14.258 2.096 -21.058 941 HE1 TRP 115 HE1 TRP 115 -12.156 3.267 -21.966 942 HE3 TRP 115 HE3 TRP 115 -14.284 6.245 -18.065 943 HZ2 TRP 115 HZ2 TRP 115 -10.710 5.644 -21.493 944 HZ3 TRP 115 HZ3 TRP 115 -12.504 7.921 -18.358 945 HH2 TRP 115 HH2 TRP 115 -10.755 7.626 -20.036 946 H ILE 116 H ILE 116 -15.783 0.764 -16.148 947 HA ILE 116 HA ILE 116 -18.590 1.234 -15.763 948 HB ILE 116 HB ILE 116 -16.756 -0.734 -14.369 949 HG12 ILE 116 2HG1 ILE 116 -18.581 -1.117 -16.764 950 HG13 ILE 116 3HG1 ILE 116 -16.825 -1.026 -16.824 951 HG21 ILE 116 1HG2 ILE 116 -18.806 -1.951 -13.804 952 HG22 ILE 116 2HG2 ILE 116 -19.772 -0.679 -14.549 953 HG23 ILE 116 3HG2 ILE 116 -18.814 -0.330 -13.108 954 HD11 ILE 116 3HD1 ILE 116 -16.662 -3.070 -15.515 955 HD12 ILE 116 1HD1 ILE 116 -17.616 -3.321 -16.977 956 HD13 ILE 116 2HD1 ILE 116 -18.421 -3.156 -15.416 Start of MODEL 20 1 H1 MET 1 1H MET 1 15.841 -20.456 -22.380 2 H2 MET 1 2H MET 1 16.808 -21.433 -23.365 3 H3 MET 1 3H MET 1 17.494 -20.602 -22.062 4 HA MET 1 HA MET 1 16.272 -21.904 -20.488 5 HB2 MET 1 2HB MET 1 15.082 -23.168 -22.966 6 HB3 MET 1 3HB MET 1 14.956 -23.886 -21.366 7 HG2 MET 1 2HG MET 1 12.949 -22.630 -22.000 8 HG3 MET 1 3HG MET 1 13.723 -21.982 -20.555 9 HE1 MET 1 3HE MET 1 12.262 -18.761 -22.225 10 HE2 MET 1 1HE MET 1 12.303 -19.768 -20.779 11 HE3 MET 1 2HE MET 1 11.523 -20.362 -22.246 12 H GLY 2 H GLY 2 18.795 -21.928 -22.269 13 HA2 GLY 2 2HA GLY 2 19.561 -24.742 -22.180 14 HA3 GLY 2 3HA GLY 2 20.531 -23.413 -22.794 15 H HIS 3 H HIS 3 22.045 -22.473 -21.470 16 HA HIS 3 HA HIS 3 22.145 -23.418 -18.663 17 HB2 HIS 3 2HB HIS 3 24.508 -22.961 -20.503 18 HB3 HIS 3 3HB HIS 3 24.594 -23.476 -18.821 19 HD1 HIS 3 HD1 HIS 3 25.059 -24.882 -21.943 20 HD2 HIS 3 HD2 HIS 3 22.764 -26.044 -18.677 21 HE1 HIS 3 HE1 HIS 3 24.665 -27.338 -22.240 22 HE2 HIS 3 HE2 HIS 3 23.425 -28.050 -20.175 23 H HIS 4 H HIS 4 21.737 -20.724 -20.527 24 HA HIS 4 HA HIS 4 22.523 -18.928 -18.365 25 HB2 HIS 4 2HB HIS 4 24.537 -19.075 -19.797 26 HB3 HIS 4 3HB HIS 4 23.583 -18.583 -21.190 27 HD1 HIS 4 HD1 HIS 4 24.933 -17.237 -17.934 28 HD2 HIS 4 HD2 HIS 4 23.260 -15.840 -21.474 29 HE1 HIS 4 HE1 HIS 4 25.222 -14.749 -17.877 30 HE2 HIS 4 HE2 HIS 4 24.142 -13.913 -19.983 31 H HIS 5 H HIS 5 21.388 -16.928 -18.388 32 HA HIS 5 HA HIS 5 19.619 -16.305 -20.603 33 HB2 HIS 5 2HB HIS 5 17.541 -16.398 -19.333 34 HB3 HIS 5 3HB HIS 5 18.308 -17.977 -19.362 35 HD1 HIS 5 HD1 HIS 5 16.256 -16.618 -17.193 36 HD2 HIS 5 HD2 HIS 5 20.285 -17.525 -16.725 37 HE1 HIS 5 HE1 HIS 5 16.607 -16.882 -14.724 38 HE2 HIS 5 HE2 HIS 5 19.039 -17.442 -14.460 39 H HIS 6 H HIS 6 18.215 -14.318 -20.058 40 HA HIS 6 HA HIS 6 19.802 -12.440 -18.408 41 HB2 HIS 6 2HB HIS 6 18.246 -11.831 -20.938 42 HB3 HIS 6 3HB HIS 6 19.166 -10.670 -19.988 43 HD1 HIS 6 HD1 HIS 6 19.539 -13.331 -22.552 44 HD2 HIS 6 HD2 HIS 6 21.987 -10.882 -20.258 45 HE1 HIS 6 HE1 HIS 6 21.817 -13.496 -23.585 46 HE2 HIS 6 HE2 HIS 6 23.279 -12.008 -22.190 47 H HIS 7 H HIS 7 18.741 -11.142 -16.968 48 HA HIS 7 HA HIS 7 15.795 -11.275 -16.880 49 HB2 HIS 7 2HB HIS 7 17.832 -10.434 -14.807 50 HB3 HIS 7 3HB HIS 7 16.105 -10.162 -14.611 51 HD1 HIS 7 HD1 HIS 7 18.704 -12.678 -14.133 52 HD2 HIS 7 HD2 HIS 7 14.566 -12.635 -14.476 53 HE1 HIS 7 HE1 HIS 7 17.930 -14.871 -13.206 54 HE2 HIS 7 HE2 HIS 7 15.424 -14.745 -13.251 55 H HIS 8 H HIS 8 14.651 -9.240 -16.326 56 HA HIS 8 HA HIS 8 16.029 -6.781 -17.143 57 HB2 HIS 8 2HB HIS 8 13.391 -7.735 -18.293 58 HB3 HIS 8 3HB HIS 8 14.051 -6.120 -18.522 59 HD1 HIS 8 HD1 HIS 8 16.107 -5.887 -20.095 60 HD2 HIS 8 HD2 HIS 8 14.541 -9.733 -19.888 61 HE1 HIS 8 HE1 HIS 8 17.151 -7.141 -22.003 62 HE2 HIS 8 HE2 HIS 8 16.145 -9.445 -21.901 63 H SER 9 H SER 9 14.992 -4.831 -16.384 64 HA SER 9 HA SER 9 13.467 -5.239 -13.921 65 HB2 SER 9 2HB SER 9 15.361 -3.698 -13.808 66 HB3 SER 9 3HB SER 9 14.682 -2.725 -15.111 67 HG SER 9 HG SER 9 13.337 -3.186 -12.641 68 H HIS 10 H HIS 10 13.198 -3.142 -16.801 69 HA HIS 10 HA HIS 10 11.430 -2.232 -17.892 70 HB2 HIS 10 2HB HIS 10 10.942 -4.641 -18.260 71 HB3 HIS 10 3HB HIS 10 9.931 -4.638 -16.821 72 HD1 HIS 10 HD1 HIS 10 7.569 -3.751 -17.057 73 HD2 HIS 10 HD2 HIS 10 9.857 -3.201 -20.482 74 HE1 HIS 10 HE1 HIS 10 5.951 -3.051 -18.841 75 HE2 HIS 10 HE2 HIS 10 7.355 -2.691 -20.894 76 H MET 11 H MET 11 11.420 -0.424 -16.471 77 HA MET 11 HA MET 11 9.919 -0.422 -14.029 78 HB2 MET 11 2HB MET 11 12.013 0.915 -14.507 79 HB3 MET 11 3HB MET 11 11.033 1.967 -15.512 80 HG2 MET 11 2HG MET 11 10.564 1.481 -12.578 81 HG3 MET 11 3HG MET 11 11.455 2.846 -13.241 82 HE1 MET 11 3HE MET 11 8.108 4.480 -11.984 83 HE2 MET 11 1HE MET 11 9.868 4.537 -11.903 84 HE3 MET 11 2HE MET 11 8.998 3.158 -11.233 85 H LYS 12 H LYS 12 7.851 0.073 -13.706 86 HA LYS 12 HA LYS 12 6.322 1.460 -15.820 87 HB2 LYS 12 2HB LYS 12 5.578 -0.718 -13.891 88 HB3 LYS 12 3HB LYS 12 4.331 0.380 -14.461 89 HG2 LYS 12 2HG LYS 12 6.099 -1.236 -16.296 90 HG3 LYS 12 3HG LYS 12 4.510 -1.763 -15.733 91 HD2 LYS 12 2HD LYS 12 3.577 0.376 -16.701 92 HD3 LYS 12 3HD LYS 12 5.156 0.650 -17.436 93 HE2 LYS 12 2HE LYS 12 4.952 -1.386 -18.727 94 HE3 LYS 12 3HE LYS 12 3.446 -1.799 -17.908 95 HZ1 LYS 12 3HZ LYS 12 2.455 0.215 -18.861 96 HZ2 LYS 12 1HZ LYS 12 2.984 -0.859 -20.056 97 HZ3 LYS 12 2HZ LYS 12 3.888 0.525 -19.702 98 HA PRO 13 HA PRO 13 5.893 4.831 -12.879 99 HB2 PRO 13 2HB PRO 13 3.813 6.125 -14.107 100 HB3 PRO 13 3HB PRO 13 5.489 6.232 -14.652 101 HG2 PRO 13 2HG PRO 13 3.272 4.497 -15.685 102 HG3 PRO 13 3HG PRO 13 4.470 5.442 -16.593 103 HD2 PRO 13 2HD PRO 13 4.737 2.783 -16.241 104 HD3 PRO 13 3HD PRO 13 6.147 3.865 -16.266 105 H LEU 14 H LEU 14 4.074 5.890 -11.593 106 HA LEU 14 HA LEU 14 2.865 3.955 -9.992 107 HB2 LEU 14 2HB LEU 14 3.379 6.246 -9.252 108 HB3 LEU 14 3HB LEU 14 2.098 6.868 -10.275 109 HG LEU 14 HG LEU 14 0.429 5.652 -8.917 110 HD11 LEU 14 1HD1 LEU 14 1.800 3.791 -8.176 111 HD12 LEU 14 2HD1 LEU 14 1.092 4.625 -6.795 112 HD13 LEU 14 3HD1 LEU 14 2.788 4.880 -7.203 113 HD21 LEU 14 3HD2 LEU 14 2.259 7.402 -7.272 114 HD22 LEU 14 1HD2 LEU 14 0.565 7.050 -6.929 115 HD23 LEU 14 2HD2 LEU 14 1.000 7.972 -8.366 116 H ALA 15 H ALA 15 1.366 5.983 -12.507 117 HA ALA 15 HA ALA 15 -1.277 5.081 -12.185 118 HB1 ALA 15 3HB ALA 15 -0.690 7.107 -13.415 119 HB2 ALA 15 1HB ALA 15 -1.690 6.032 -14.394 120 HB3 ALA 15 2HB ALA 15 0.047 6.130 -14.685 121 H GLU 16 H GLU 16 1.408 3.409 -13.501 122 HA GLU 16 HA GLU 16 -0.285 1.589 -15.076 123 HB2 GLU 16 2HB GLU 16 2.696 2.028 -14.961 124 HB3 GLU 16 3HB GLU 16 1.977 0.668 -15.811 125 HG2 GLU 16 2HG GLU 16 1.298 3.543 -16.405 126 HG3 GLU 16 3HG GLU 16 2.573 2.648 -17.230 127 H GLN 17 H GLN 17 0.802 1.798 -11.965 128 HA GLN 17 HA GLN 17 1.674 -0.922 -11.563 129 HB2 GLN 17 2HB GLN 17 0.958 1.294 -9.632 130 HB3 GLN 17 3HB GLN 17 1.539 -0.285 -9.126 131 HG2 GLN 17 2HG GLN 17 3.059 1.613 -10.911 132 HG3 GLN 17 3HG GLN 17 3.307 1.440 -9.174 133 HE21 GLN 17 1HE2 GLN 17 5.133 0.957 -11.433 134 HE22 GLN 17 2HE2 GLN 17 5.661 -0.678 -11.254 135 H ASP 18 H ASP 18 0.424 -2.649 -11.308 136 HA ASP 18 HA ASP 18 -2.313 -2.777 -11.496 137 HB2 ASP 18 2HB ASP 18 -0.355 -4.662 -10.177 138 HB3 ASP 18 3HB ASP 18 -2.055 -5.060 -10.390 139 H TRP 19 H TRP 19 -0.410 -2.549 -8.510 140 HA TRP 19 HA TRP 19 -2.658 -2.901 -6.782 141 HB2 TRP 19 2HB TRP 19 -0.993 -2.030 -5.011 142 HB3 TRP 19 3HB TRP 19 -0.657 -3.564 -5.803 143 HD1 TRP 19 HD1 TRP 19 1.511 -3.724 -7.303 144 HE1 TRP 19 HE1 TRP 19 3.534 -2.171 -7.643 145 HE3 TRP 19 HE3 TRP 19 -0.340 0.521 -5.126 146 HZ2 TRP 19 HZ2 TRP 19 4.253 0.483 -7.055 147 HZ3 TRP 19 HZ3 TRP 19 1.088 2.524 -5.057 148 HH2 TRP 19 HH2 TRP 19 3.337 2.504 -6.002 149 H TYR 20 H TYR 20 -1.439 -0.141 -8.456 150 HA TYR 20 HA TYR 20 -2.784 1.752 -6.690 151 HB2 TYR 20 2HB TYR 20 -0.711 2.479 -7.743 152 HB3 TYR 20 3HB TYR 20 -1.369 2.149 -9.342 153 HD1 TYR 20 HD2 TYR 20 -2.070 4.226 -6.306 154 HD2 TYR 20 HD1 TYR 20 -2.325 3.915 -10.547 155 HE1 TYR 20 HE2 TYR 20 -2.923 6.528 -6.419 156 HE2 TYR 20 HE1 TYR 20 -3.182 6.217 -10.667 157 HH TYR 20 HH TYR 20 -3.066 8.375 -8.035 158 H HIS 21 H HIS 21 -4.951 1.985 -6.810 159 HA HIS 21 HA HIS 21 -6.265 1.401 -9.396 160 HB2 HIS 21 2HB HIS 21 -7.220 0.929 -6.570 161 HB3 HIS 21 3HB HIS 21 -8.297 0.855 -7.962 162 HD1 HIS 21 HD1 HIS 21 -8.444 -1.360 -9.102 163 HD2 HIS 21 HD2 HIS 21 -5.006 -1.028 -6.802 164 HE1 HIS 21 HE1 HIS 21 -7.339 -3.608 -9.222 165 HE2 HIS 21 HE2 HIS 21 -5.137 -3.286 -8.055 166 H GLY 22 H GLY 22 -5.276 4.038 -8.199 167 HA2 GLY 22 2HA GLY 22 -5.902 6.191 -8.775 168 HA3 GLY 22 3HA GLY 22 -7.420 5.552 -9.379 169 H ALA 23 H ALA 23 -8.114 7.660 -8.402 170 HA ALA 23 HA ALA 23 -8.222 7.859 -5.529 171 HB1 ALA 23 3HB ALA 23 -7.972 9.848 -6.933 172 HB2 ALA 23 1HB ALA 23 -9.413 9.948 -5.921 173 HB3 ALA 23 2HB ALA 23 -9.564 9.555 -7.635 174 H ILE 24 H ILE 24 -9.389 5.579 -5.658 175 HA ILE 24 HA ILE 24 -12.268 5.809 -6.016 176 HB ILE 24 HB ILE 24 -12.366 3.436 -5.379 177 HG12 ILE 24 2HG1 ILE 24 -9.350 3.619 -5.098 178 HG13 ILE 24 3HG1 ILE 24 -10.479 3.456 -3.758 179 HG21 ILE 24 1HG2 ILE 24 -10.237 4.027 -7.436 180 HG22 ILE 24 2HG2 ILE 24 -11.979 4.047 -7.715 181 HG23 ILE 24 3HG2 ILE 24 -11.166 2.533 -7.311 182 HD11 ILE 24 3HD1 ILE 24 -10.012 1.448 -5.953 183 HD12 ILE 24 1HD1 ILE 24 -11.198 1.285 -4.656 184 HD13 ILE 24 2HD1 ILE 24 -9.477 1.329 -4.277 185 HA PRO 25 HA PRO 25 -13.316 6.820 -1.819 186 HB2 PRO 25 2HB PRO 25 -15.659 5.406 -1.538 187 HB3 PRO 25 3HB PRO 25 -15.524 6.946 -2.391 188 HG2 PRO 25 2HG PRO 25 -15.561 4.166 -3.499 189 HG3 PRO 25 3HG PRO 25 -16.385 5.619 -4.097 190 HD2 PRO 25 2HD PRO 25 -14.121 4.713 -5.237 191 HD3 PRO 25 3HD PRO 25 -14.458 6.453 -5.097 192 H ARG 26 H ARG 26 -13.678 5.901 0.317 193 HA ARG 26 HA ARG 26 -11.858 3.872 0.946 194 HB2 ARG 26 2HB ARG 26 -12.545 5.605 2.535 195 HB3 ARG 26 3HB ARG 26 -14.167 4.931 2.598 196 HG2 ARG 26 2HG ARG 26 -13.224 2.846 3.546 197 HG3 ARG 26 3HG ARG 26 -11.632 3.607 3.558 198 HD2 ARG 26 2HD ARG 26 -14.066 4.604 5.038 199 HD3 ARG 26 3HD ARG 26 -12.730 3.707 5.756 200 HE ARG 26 HE ARG 26 -12.000 6.169 4.404 201 HH11 ARG 26 1HH1 ARG 26 -12.864 4.679 7.383 202 HH12 ARG 26 2HH1 ARG 26 -12.115 5.906 8.342 203 HH21 ARG 26 1HH2 ARG 26 -11.052 7.754 5.651 204 HH22 ARG 26 2HH2 ARG 26 -11.101 7.620 7.375 205 H ILE 27 H ILE 27 -15.398 3.741 0.705 206 HA ILE 27 HA ILE 27 -15.876 1.155 1.569 207 HB ILE 27 HB ILE 27 -17.278 2.648 -0.663 208 HG12 ILE 27 2HG1 ILE 27 -17.929 2.450 2.296 209 HG13 ILE 27 3HG1 ILE 27 -17.232 3.855 1.499 210 HG21 ILE 27 1HG2 ILE 27 -19.193 1.185 -0.217 211 HG22 ILE 27 2HG2 ILE 27 -18.238 0.286 0.963 212 HG23 ILE 27 3HG2 ILE 27 -17.788 0.259 -0.744 213 HD11 ILE 27 3HD1 ILE 27 -19.271 4.062 0.137 214 HD12 ILE 27 1HD1 ILE 27 -19.588 4.188 1.868 215 HD13 ILE 27 2HD1 ILE 27 -19.967 2.695 1.009 216 H GLU 28 H GLU 28 -15.345 2.142 -1.845 217 HA GLU 28 HA GLU 28 -15.343 -0.427 -2.942 218 HB2 GLU 28 2HB GLU 28 -13.830 2.016 -3.892 219 HB3 GLU 28 3HB GLU 28 -14.145 0.578 -4.856 220 HG2 GLU 28 2HG GLU 28 -16.223 2.453 -3.740 221 HG3 GLU 28 3HG GLU 28 -15.679 2.384 -5.414 222 H ALA 29 H ALA 29 -12.712 1.408 -1.483 223 HA ALA 29 HA ALA 29 -10.551 -0.190 -2.282 224 HB1 ALA 29 3HB ALA 29 -10.288 2.028 -1.286 225 HB2 ALA 29 1HB ALA 29 -9.326 0.822 -0.431 226 HB3 ALA 29 2HB ALA 29 -10.839 1.400 0.267 227 H GLN 30 H GLN 30 -12.736 -0.525 0.507 228 HA GLN 30 HA GLN 30 -11.242 -2.800 1.523 229 HB2 GLN 30 2HB GLN 30 -13.015 -2.900 3.263 230 HB3 GLN 30 3HB GLN 30 -12.208 -1.343 3.165 231 HG2 GLN 30 2HG GLN 30 -14.090 -0.384 2.003 232 HG3 GLN 30 3HG GLN 30 -14.883 -1.956 1.922 233 HE21 GLN 30 1HE2 GLN 30 -15.854 -2.784 3.748 234 HE22 GLN 30 2HE2 GLN 30 -16.161 -1.828 5.153 235 H GLU 31 H GLU 31 -14.213 -2.280 -0.305 236 HA GLU 31 HA GLU 31 -15.448 -4.753 0.036 237 HB2 GLU 31 2HB GLU 31 -15.443 -2.905 -2.357 238 HB3 GLU 31 3HB GLU 31 -16.508 -4.295 -2.203 239 HG2 GLU 31 2HG GLU 31 -16.433 -1.952 -0.309 240 HG3 GLU 31 3HG GLU 31 -17.601 -2.171 -1.608 241 H LEU 32 H LEU 32 -12.943 -3.845 -2.319 242 HA LEU 32 HA LEU 32 -13.101 -6.336 -3.730 243 HB2 LEU 32 2HB LEU 32 -11.255 -5.515 -5.052 244 HB3 LEU 32 3HB LEU 32 -12.455 -4.264 -4.838 245 HG LEU 32 HG LEU 32 -10.843 -3.518 -2.863 246 HD11 LEU 32 1HD1 LEU 32 -8.483 -3.822 -3.543 247 HD12 LEU 32 2HD1 LEU 32 -9.012 -4.981 -4.760 248 HD13 LEU 32 3HD1 LEU 32 -9.263 -5.321 -3.047 249 HD21 LEU 32 3HD2 LEU 32 -11.509 -2.128 -4.752 250 HD22 LEU 32 1HD2 LEU 32 -10.332 -2.943 -5.784 251 HD23 LEU 32 2HD2 LEU 32 -9.785 -1.956 -4.428 252 H LEU 33 H LEU 33 -11.591 -5.450 -0.831 253 HA LEU 33 HA LEU 33 -9.415 -7.376 -0.996 254 HB2 LEU 33 2HB LEU 33 -10.421 -5.743 1.342 255 HB3 LEU 33 3HB LEU 33 -8.938 -6.673 1.309 256 HG LEU 33 HG LEU 33 -9.517 -4.256 -0.417 257 HD11 LEU 33 1HD1 LEU 33 -7.705 -4.567 1.981 258 HD12 LEU 33 2HD1 LEU 33 -9.208 -3.643 1.918 259 HD13 LEU 33 3HD1 LEU 33 -7.822 -3.137 0.952 260 HD21 LEU 33 3HD2 LEU 33 -8.050 -5.847 -1.538 261 HD22 LEU 33 1HD2 LEU 33 -7.003 -5.900 -0.120 262 HD23 LEU 33 2HD2 LEU 33 -7.155 -4.409 -1.050 263 H LYS 34 H LYS 34 -9.633 -9.513 -0.472 264 HA LYS 34 HA LYS 34 -11.811 -10.256 1.363 265 HB2 LYS 34 2HB LYS 34 -12.276 -12.258 -0.155 266 HB3 LYS 34 3HB LYS 34 -12.861 -10.687 -0.661 267 HG2 LYS 34 2HG LYS 34 -12.024 -11.699 -2.604 268 HG3 LYS 34 3HG LYS 34 -10.802 -10.525 -2.126 269 HD2 LYS 34 2HD LYS 34 -9.835 -12.670 -2.866 270 HD3 LYS 34 3HD LYS 34 -9.417 -12.275 -1.200 271 HE2 LYS 34 2HE LYS 34 -9.976 -14.622 -1.373 272 HE3 LYS 34 3HE LYS 34 -11.201 -13.791 -0.419 273 HZ1 LYS 34 3HZ LYS 34 -11.461 -14.521 -3.287 274 HZ2 LYS 34 1HZ LYS 34 -12.646 -13.767 -2.343 275 HZ3 LYS 34 2HZ LYS 34 -12.170 -15.352 -1.996 276 H LYS 35 H LYS 35 -8.668 -11.228 0.013 277 HA LYS 35 HA LYS 35 -8.554 -13.323 2.099 278 HB2 LYS 35 2HB LYS 35 -6.867 -14.464 0.784 279 HB3 LYS 35 3HB LYS 35 -8.287 -14.171 -0.209 280 HG2 LYS 35 2HG LYS 35 -7.182 -12.296 -1.284 281 HG3 LYS 35 3HG LYS 35 -5.768 -12.512 -0.257 282 HD2 LYS 35 2HD LYS 35 -5.316 -13.483 -2.413 283 HD3 LYS 35 3HD LYS 35 -5.470 -14.783 -1.230 284 HE2 LYS 35 2HE LYS 35 -7.770 -15.189 -1.975 285 HE3 LYS 35 3HE LYS 35 -7.627 -13.879 -3.147 286 HZ1 LYS 35 3HZ LYS 35 -7.283 -16.049 -4.165 287 HZ2 LYS 35 1HZ LYS 35 -5.986 -16.354 -3.124 288 HZ3 LYS 35 2HZ LYS 35 -5.879 -15.109 -4.262 289 H GLN 36 H GLN 36 -6.676 -13.555 3.383 290 HA GLN 36 HA GLN 36 -5.465 -11.181 4.254 291 HB2 GLN 36 2HB GLN 36 -5.645 -13.168 5.677 292 HB3 GLN 36 3HB GLN 36 -4.524 -14.036 4.636 293 HG2 GLN 36 2HG GLN 36 -2.728 -12.536 5.245 294 HG3 GLN 36 3HG GLN 36 -3.836 -11.546 6.196 295 HE21 GLN 36 1HE2 GLN 36 -2.669 -11.855 8.094 296 HE22 GLN 36 2HE2 GLN 36 -2.647 -13.367 8.929 297 H GLY 37 H GLY 37 -4.370 -9.983 2.815 298 HA2 GLY 37 2HA GLY 37 -1.835 -10.045 2.138 299 HA3 GLY 37 3HA GLY 37 -2.436 -11.249 1.008 300 H ASP 38 H ASP 38 -4.945 -9.979 0.432 301 HA ASP 38 HA ASP 38 -4.332 -8.475 -1.790 302 HB2 ASP 38 2HB ASP 38 -6.828 -8.304 -0.086 303 HB3 ASP 38 3HB ASP 38 -6.678 -7.632 -1.704 304 H PHE 39 H PHE 39 -3.552 -6.481 -2.109 305 HA PHE 39 HA PHE 39 -4.208 -4.354 -0.209 306 HB2 PHE 39 2HB PHE 39 -1.902 -3.592 -0.048 307 HB3 PHE 39 3HB PHE 39 -2.023 -5.257 0.504 308 HD1 PHE 39 HD1 PHE 39 -1.174 -7.104 -0.948 309 HD2 PHE 39 HD2 PHE 39 -0.532 -3.001 -1.909 310 HE1 PHE 39 HE1 PHE 39 0.627 -7.749 -2.495 311 HE2 PHE 39 HE2 PHE 39 1.262 -3.645 -3.461 312 HZ PHE 39 HZ PHE 39 1.845 -6.018 -3.756 313 H LEU 40 H LEU 40 -4.365 -2.322 -1.083 314 HA LEU 40 HA LEU 40 -3.324 -1.842 -3.771 315 HB2 LEU 40 2HB LEU 40 -5.346 -1.008 -4.689 316 HB3 LEU 40 3HB LEU 40 -5.709 -2.591 -4.030 317 HG LEU 40 HG LEU 40 -6.301 -0.074 -2.472 318 HD11 LEU 40 1HD1 LEU 40 -8.572 -0.131 -3.345 319 HD12 LEU 40 2HD1 LEU 40 -8.139 -1.456 -4.427 320 HD13 LEU 40 3HD1 LEU 40 -7.407 0.135 -4.641 321 HD21 LEU 40 3HD2 LEU 40 -7.479 -2.855 -2.391 322 HD22 LEU 40 1HD2 LEU 40 -7.971 -1.493 -1.384 323 HD23 LEU 40 2HD2 LEU 40 -6.350 -2.171 -1.219 324 H VAL 41 H VAL 41 -2.843 0.315 -4.200 325 HA VAL 41 HA VAL 41 -3.103 2.164 -1.919 326 HB VAL 41 HB VAL 41 -1.289 2.317 -4.347 327 HG11 VAL 41 1HG1 VAL 41 -1.973 4.557 -3.615 328 HG12 VAL 41 2HG1 VAL 41 -0.268 4.265 -3.269 329 HG13 VAL 41 3HG1 VAL 41 -1.459 4.182 -1.970 330 HG21 VAL 41 3HG2 VAL 41 0.527 1.953 -2.744 331 HG22 VAL 41 1HG2 VAL 41 -0.615 0.606 -2.725 332 HG23 VAL 41 2HG2 VAL 41 -0.645 1.810 -1.436 333 H ARG 42 H ARG 42 -4.735 3.544 -2.021 334 HA ARG 42 HA ARG 42 -5.767 4.378 -4.660 335 HB2 ARG 42 2HB ARG 42 -7.881 4.823 -3.590 336 HB3 ARG 42 3HB ARG 42 -7.366 3.200 -3.147 337 HG2 ARG 42 2HG ARG 42 -6.661 3.966 -0.968 338 HG3 ARG 42 3HG ARG 42 -7.004 5.639 -1.408 339 HD2 ARG 42 2HD ARG 42 -9.405 4.923 -1.767 340 HD3 ARG 42 3HD ARG 42 -8.968 3.386 -1.024 341 HE ARG 42 HE ARG 42 -8.363 4.696 0.984 342 HH11 ARG 42 1HH1 ARG 42 -10.512 6.074 -1.321 343 HH12 ARG 42 2HH1 ARG 42 -11.239 7.137 -0.168 344 HH21 ARG 42 1HH2 ARG 42 -9.309 6.065 2.459 345 HH22 ARG 42 2HH2 ARG 42 -10.567 7.131 1.945 346 H GLU 43 H GLU 43 -6.528 6.605 -4.840 347 HA GLU 43 HA GLU 43 -4.834 8.475 -3.332 348 HB2 GLU 43 2HB GLU 43 -4.820 8.466 -5.841 349 HB3 GLU 43 3HB GLU 43 -6.499 8.979 -5.807 350 HG2 GLU 43 2HG GLU 43 -5.825 11.039 -4.632 351 HG3 GLU 43 3HG GLU 43 -4.138 10.520 -4.731 352 H SER 44 H SER 44 -5.673 9.965 -1.950 353 HA SER 44 HA SER 44 -8.275 9.540 -0.906 354 HB2 SER 44 2HB SER 44 -6.373 10.309 0.469 355 HB3 SER 44 3HB SER 44 -6.395 11.855 -0.377 356 HG SER 44 HG SER 44 -7.624 11.429 1.771 357 H HIS 45 H HIS 45 -9.954 11.136 -0.610 358 HA HIS 45 HA HIS 45 -10.391 12.777 -3.016 359 HB2 HIS 45 2HB HIS 45 -12.295 11.701 -0.919 360 HB3 HIS 45 3HB HIS 45 -12.784 12.821 -2.185 361 HD1 HIS 45 HD1 HIS 45 -14.023 11.560 -3.902 362 HD2 HIS 45 HD2 HIS 45 -10.790 9.388 -2.455 363 HE1 HIS 45 HE1 HIS 45 -14.026 9.413 -5.194 364 HE2 HIS 45 HE2 HIS 45 -11.953 8.215 -4.443 365 H GLY 46 H GLY 46 -10.074 14.915 -2.861 366 HA2 GLY 46 2HA GLY 46 -10.346 17.069 -2.010 367 HA3 GLY 46 3HA GLY 46 -10.948 16.384 -0.509 368 H LYS 47 H LYS 47 -8.150 14.776 -1.151 369 HA LYS 47 HA LYS 47 -6.424 16.763 0.181 370 HB2 LYS 47 2HB LYS 47 -7.198 15.169 1.869 371 HB3 LYS 47 3HB LYS 47 -6.658 13.825 0.876 372 HG2 LYS 47 2HG LYS 47 -5.068 14.160 2.622 373 HG3 LYS 47 3HG LYS 47 -4.330 14.649 1.097 374 HD2 LYS 47 2HD LYS 47 -4.844 17.017 1.651 375 HD3 LYS 47 3HD LYS 47 -5.486 16.486 3.209 376 HE2 LYS 47 2HE LYS 47 -3.271 15.504 3.739 377 HE3 LYS 47 3HE LYS 47 -2.648 16.153 2.223 378 HZ1 LYS 47 3HZ LYS 47 -3.700 17.721 4.514 379 HZ2 LYS 47 1HZ LYS 47 -3.200 18.387 3.042 380 HZ3 LYS 47 2HZ LYS 47 -2.084 17.599 4.037 381 HA PRO 48 HA PRO 48 -4.480 15.284 -3.744 382 HB2 PRO 48 2HB PRO 48 -3.009 17.575 -4.129 383 HB3 PRO 48 3HB PRO 48 -4.673 17.363 -4.683 384 HG2 PRO 48 2HG PRO 48 -3.655 18.742 -2.224 385 HG3 PRO 48 3HG PRO 48 -4.934 19.249 -3.346 386 HD2 PRO 48 2HD PRO 48 -5.496 18.118 -0.965 387 HD3 PRO 48 3HD PRO 48 -6.503 17.825 -2.398 388 H GLY 49 H GLY 49 -3.212 13.684 -2.757 389 HA2 GLY 49 2HA GLY 49 -0.661 13.438 -2.883 390 HA3 GLY 49 3HA GLY 49 -0.662 14.584 -1.552 391 H GLU 50 H GLU 50 -3.242 13.140 -0.593 392 HA GLU 50 HA GLU 50 -1.854 11.264 1.111 393 HB2 GLU 50 2HB GLU 50 -3.664 12.640 2.021 394 HB3 GLU 50 3HB GLU 50 -4.807 11.913 0.902 395 HG2 GLU 50 2HG GLU 50 -4.441 9.724 1.993 396 HG3 GLU 50 3HG GLU 50 -3.349 10.501 3.136 397 H TYR 51 H TYR 51 -1.132 9.561 -0.110 398 HA TYR 51 HA TYR 51 -3.102 7.937 -1.556 399 HB2 TYR 51 2HB TYR 51 -0.082 7.822 -1.403 400 HB3 TYR 51 3HB TYR 51 -1.046 6.576 -2.194 401 HD1 TYR 51 HD2 TYR 51 -0.355 10.242 -2.257 402 HD2 TYR 51 HD1 TYR 51 -1.711 6.846 -4.434 403 HE1 TYR 51 HE2 TYR 51 -0.403 11.588 -4.311 404 HE2 TYR 51 HE1 TYR 51 -1.764 8.187 -6.494 405 HH TYR 51 HH TYR 51 -2.012 10.693 -7.049 406 H VAL 52 H VAL 52 -4.061 6.276 -0.606 407 HA VAL 52 HA VAL 52 -3.061 5.415 2.029 408 HB VAL 52 HB VAL 52 -5.878 5.237 0.932 409 HG11 VAL 52 1HG1 VAL 52 -4.820 4.704 3.717 410 HG12 VAL 52 2HG1 VAL 52 -5.407 3.493 2.578 411 HG13 VAL 52 3HG1 VAL 52 -6.518 4.690 3.239 412 HG21 VAL 52 3HG2 VAL 52 -6.403 7.061 2.491 413 HG22 VAL 52 1HG2 VAL 52 -5.212 7.559 1.290 414 HG23 VAL 52 2HG2 VAL 52 -4.701 7.173 2.935 415 H LEU 53 H LEU 53 -2.151 3.486 2.103 416 HA LEU 53 HA LEU 53 -2.732 1.410 0.160 417 HB2 LEU 53 2HB LEU 53 -0.425 1.720 0.825 418 HB3 LEU 53 3HB LEU 53 -0.842 1.540 2.520 419 HG LEU 53 HG LEU 53 -1.437 -0.839 2.096 420 HD11 LEU 53 1HD1 LEU 53 -0.771 -1.892 -0.012 421 HD12 LEU 53 2HD1 LEU 53 -0.344 -0.314 -0.670 422 HD13 LEU 53 3HD1 LEU 53 -2.021 -0.676 -0.267 423 HD21 LEU 53 3HD2 LEU 53 0.850 -1.651 1.851 424 HD22 LEU 53 1HD2 LEU 53 0.794 -0.239 2.905 425 HD23 LEU 53 2HD2 LEU 53 1.359 -0.077 1.240 426 H SER 54 H SER 54 -4.470 0.168 0.445 427 HA SER 54 HA SER 54 -5.371 -0.486 3.178 428 HB2 SER 54 2HB SER 54 -6.914 -0.592 0.566 429 HB3 SER 54 3HB SER 54 -7.567 -0.984 2.157 430 HG SER 54 HG SER 54 -6.681 1.527 1.186 431 H VAL 55 H VAL 55 -4.884 -2.463 3.878 432 HA VAL 55 HA VAL 55 -4.649 -4.668 1.926 433 HB VAL 55 HB VAL 55 -2.410 -4.003 2.593 434 HG11 VAL 55 1HG1 VAL 55 -1.649 -4.158 4.925 435 HG12 VAL 55 2HG1 VAL 55 -3.301 -4.508 5.436 436 HG13 VAL 55 3HG1 VAL 55 -2.910 -2.942 4.724 437 HG21 VAL 55 3HG2 VAL 55 -2.826 -6.386 2.201 438 HG22 VAL 55 1HG2 VAL 55 -3.206 -6.608 3.909 439 HG23 VAL 55 2HG2 VAL 55 -1.574 -6.152 3.420 440 H TYR 56 H TYR 56 -5.399 -6.678 2.535 441 HA TYR 56 HA TYR 56 -7.263 -6.689 4.789 442 HB2 TYR 56 2HB TYR 56 -7.877 -7.455 2.456 443 HB3 TYR 56 3HB TYR 56 -6.830 -8.841 2.706 444 HD1 TYR 56 HD2 TYR 56 -7.464 -10.582 4.378 445 HD2 TYR 56 HD1 TYR 56 -10.055 -7.334 3.453 446 HE1 TYR 56 HE2 TYR 56 -9.347 -11.805 5.382 447 HE2 TYR 56 HE1 TYR 56 -11.943 -8.551 4.448 448 HH TYR 56 HH TYR 56 -11.554 -11.370 6.336 449 H SER 57 H SER 57 -6.450 -7.291 6.722 450 HA SER 57 HA SER 57 -5.086 -9.873 6.917 451 HB2 SER 57 2HB SER 57 -3.239 -8.226 6.843 452 HB3 SER 57 3HB SER 57 -3.947 -7.374 8.215 453 HG SER 57 HG SER 57 -3.220 -8.871 9.535 454 H ASP 58 H ASP 58 -5.527 -10.990 8.801 455 HA ASP 58 HA ASP 58 -6.622 -11.599 10.710 456 HB2 ASP 58 2HB ASP 58 -6.761 -8.626 11.294 457 HB3 ASP 58 3HB ASP 58 -7.041 -9.920 12.452 458 H GLY 59 H GLY 59 -8.090 -10.583 8.174 459 HA2 GLY 59 2HA GLY 59 -10.330 -10.587 7.532 460 HA3 GLY 59 3HA GLY 59 -10.788 -10.712 9.223 461 H GLN 60 H GLN 60 -8.624 -8.251 9.022 462 HA GLN 60 HA GLN 60 -10.733 -6.192 8.809 463 HB2 GLN 60 2HB GLN 60 -8.160 -6.238 10.411 464 HB3 GLN 60 3HB GLN 60 -9.199 -4.827 10.267 465 HG2 GLN 60 2HG GLN 60 -10.975 -5.923 11.432 466 HG3 GLN 60 3HG GLN 60 -10.130 -7.470 11.377 467 HE21 GLN 60 1HE2 GLN 60 -8.437 -7.842 12.784 468 HE22 GLN 60 2HE2 GLN 60 -8.122 -6.841 14.152 469 H ARG 61 H ARG 61 -10.408 -4.435 7.465 470 HA ARG 61 HA ARG 61 -8.147 -4.559 5.631 471 HB2 ARG 61 2HB ARG 61 -10.585 -2.773 5.738 472 HB3 ARG 61 3HB ARG 61 -9.282 -2.525 4.589 473 HG2 ARG 61 2HG ARG 61 -10.861 -3.711 3.376 474 HG3 ARG 61 3HG ARG 61 -9.706 -4.951 3.861 475 HD2 ARG 61 2HD ARG 61 -11.186 -5.669 5.649 476 HD3 ARG 61 3HD ARG 61 -12.312 -4.361 5.275 477 HE ARG 61 HE ARG 61 -11.700 -6.492 3.333 478 HH11 ARG 61 1HH1 ARG 61 -13.996 -4.611 5.099 479 HH12 ARG 61 2HH1 ARG 61 -15.340 -5.259 4.226 480 HH21 ARG 61 1HH2 ARG 61 -13.443 -7.305 2.236 481 HH22 ARG 61 2HH2 ARG 61 -15.033 -6.753 2.634 482 H ARG 62 H ARG 62 -6.290 -3.848 6.520 483 HA ARG 62 HA ARG 62 -6.097 -1.627 8.319 484 HB2 ARG 62 2HB ARG 62 -3.922 -2.961 6.684 485 HB3 ARG 62 3HB ARG 62 -3.666 -1.877 8.040 486 HG2 ARG 62 2HG ARG 62 -4.972 -4.593 8.193 487 HG3 ARG 62 3HG ARG 62 -3.307 -4.226 8.639 488 HD2 ARG 62 2HD ARG 62 -4.532 -2.431 10.187 489 HD3 ARG 62 3HD ARG 62 -5.851 -3.592 10.054 490 HE ARG 62 HE ARG 62 -3.540 -3.846 11.653 491 HH11 ARG 62 1HH1 ARG 62 -5.612 -5.780 9.669 492 HH12 ARG 62 2HH1 ARG 62 -5.220 -7.235 10.517 493 HH21 ARG 62 1HH2 ARG 62 -3.076 -5.707 12.719 494 HH22 ARG 62 2HH2 ARG 62 -3.804 -7.198 12.213 495 H HIS 63 H HIS 63 -5.486 0.507 7.890 496 HA HIS 63 HA HIS 63 -5.117 1.228 5.041 497 HB2 HIS 63 2HB HIS 63 -6.684 2.838 7.077 498 HB3 HIS 63 3HB HIS 63 -6.455 3.238 5.378 499 HD1 HIS 63 HD1 HIS 63 -7.526 1.396 3.659 500 HD2 HIS 63 HD2 HIS 63 -8.929 1.369 7.574 501 HE1 HIS 63 HE1 HIS 63 -9.698 0.147 3.588 502 HE2 HIS 63 HE2 HIS 63 -10.449 0.012 5.981 503 H PHE 64 H PHE 64 -3.172 2.096 4.732 504 HA PHE 64 HA PHE 64 -1.968 3.736 6.884 505 HB2 PHE 64 2HB PHE 64 -0.522 2.024 4.842 506 HB3 PHE 64 3HB PHE 64 0.234 2.992 6.102 507 HD1 PHE 64 HD2 PHE 64 -0.354 2.405 8.546 508 HD2 PHE 64 HD1 PHE 64 -1.082 -0.203 5.253 509 HE1 PHE 64 HE2 PHE 64 -0.465 0.489 10.089 510 HE2 PHE 64 HE1 PHE 64 -1.189 -2.116 6.794 511 HZ PHE 64 HZ PHE 64 -0.882 -1.771 9.213 512 H ILE 65 H ILE 65 -0.938 5.665 6.299 513 HA ILE 65 HA ILE 65 -1.492 6.623 3.561 514 HB ILE 65 HB ILE 65 -1.003 8.222 6.089 515 HG12 ILE 65 2HG1 ILE 65 -3.555 7.784 4.507 516 HG13 ILE 65 3HG1 ILE 65 -3.182 7.052 6.062 517 HG21 ILE 65 1HG2 ILE 65 -0.192 9.433 4.156 518 HG22 ILE 65 2HG2 ILE 65 -1.686 10.173 4.730 519 HG23 ILE 65 3HG2 ILE 65 -1.706 9.142 3.298 520 HD11 ILE 65 3HD1 ILE 65 -3.145 9.267 7.093 521 HD12 ILE 65 1HD1 ILE 65 -4.692 8.928 6.320 522 HD13 ILE 65 2HD1 ILE 65 -3.530 9.994 5.533 523 H ILE 66 H ILE 66 0.140 7.430 2.283 524 HA ILE 66 HA ILE 66 2.871 6.836 3.077 525 HB ILE 66 HB ILE 66 1.855 8.017 0.477 526 HG12 ILE 66 2HG1 ILE 66 2.504 5.143 1.195 527 HG13 ILE 66 3HG1 ILE 66 0.893 5.793 0.914 528 HG21 ILE 66 1HG2 ILE 66 4.517 6.745 1.150 529 HG22 ILE 66 2HG2 ILE 66 4.231 8.459 0.853 530 HG23 ILE 66 3HG2 ILE 66 4.012 7.292 -0.449 531 HD11 ILE 66 3HD1 ILE 66 1.484 6.246 -1.411 532 HD12 ILE 66 1HD1 ILE 66 1.689 4.543 -1.004 533 HD13 ILE 66 2HD1 ILE 66 3.100 5.596 -1.126 534 H GLN 67 H GLN 67 3.940 8.310 4.302 535 HA GLN 67 HA GLN 67 3.495 11.169 3.912 536 HB2 GLN 67 2HB GLN 67 5.215 9.653 5.889 537 HB3 GLN 67 3HB GLN 67 5.163 11.408 5.799 538 HG2 GLN 67 2HG GLN 67 3.725 10.790 7.560 539 HG3 GLN 67 3HG GLN 67 2.680 11.247 6.216 540 HE21 GLN 67 1HE2 GLN 67 0.941 10.051 6.917 541 HE22 GLN 67 2HE2 GLN 67 0.925 8.324 6.895 542 H TYR 68 H TYR 68 4.696 12.400 2.619 543 HA TYR 68 HA TYR 68 7.189 11.358 1.498 544 HB2 TYR 68 2HB TYR 68 5.547 12.292 -0.057 545 HB3 TYR 68 3HB TYR 68 5.567 13.827 0.805 546 HD1 TYR 68 HD1 TYR 68 8.104 11.512 -0.713 547 HD2 TYR 68 HD2 TYR 68 6.726 15.516 -0.267 548 HE1 TYR 68 HE1 TYR 68 9.904 12.294 -2.190 549 HE2 TYR 68 HE2 TYR 68 8.525 16.306 -1.741 550 HH TYR 68 HH TYR 68 10.654 15.640 -2.567 551 H VAL 69 H VAL 69 8.858 11.648 2.875 552 HA VAL 69 HA VAL 69 9.312 14.344 4.006 553 HB VAL 69 HB VAL 69 9.860 11.706 5.397 554 HG11 VAL 69 1HG1 VAL 69 10.180 14.545 6.382 555 HG12 VAL 69 2HG1 VAL 69 11.483 13.420 5.999 556 HG13 VAL 69 3HG1 VAL 69 10.403 13.088 7.352 557 HG21 VAL 69 3HG2 VAL 69 7.463 12.179 5.301 558 HG22 VAL 69 1HG2 VAL 69 7.739 13.783 5.981 559 HG23 VAL 69 2HG2 VAL 69 8.069 12.345 6.949 560 H ASP 70 H ASP 70 11.229 15.192 3.400 561 HA ASP 70 HA ASP 70 13.345 15.419 2.602 562 HB2 ASP 70 2HB ASP 70 13.626 13.004 4.384 563 HB3 ASP 70 3HB ASP 70 15.014 13.669 3.527 564 H ASN 71 H ASN 71 11.730 14.398 0.688 565 HA ASN 71 HA ASN 71 11.725 13.420 -1.359 566 HB2 ASN 71 2HB ASN 71 14.657 12.876 -0.830 567 HB3 ASN 71 3HB ASN 71 13.855 12.734 -2.392 568 HD21 ASN 71 1HD2 ASN 71 15.120 14.892 -0.017 569 HD22 ASN 71 2HD2 ASN 71 14.997 16.332 -0.958 570 H MET 72 H MET 72 11.630 11.763 1.310 571 HA MET 72 HA MET 72 11.849 9.111 0.025 572 HB2 MET 72 2HB MET 72 11.995 9.773 2.977 573 HB3 MET 72 3HB MET 72 12.165 8.174 2.269 574 HG2 MET 72 2HG MET 72 14.202 8.900 1.122 575 HG3 MET 72 3HG MET 72 14.028 10.502 1.838 576 HE1 MET 72 3HE MET 72 17.105 9.001 3.764 577 HE2 MET 72 1HE MET 72 16.521 10.321 2.749 578 HE3 MET 72 2HE MET 72 16.690 8.699 2.077 579 H TYR 73 H TYR 73 9.946 8.218 -0.453 580 HA TYR 73 HA TYR 73 7.498 8.916 0.931 581 HB2 TYR 73 2HB TYR 73 8.069 6.858 -1.224 582 HB3 TYR 73 3HB TYR 73 6.466 7.222 -0.592 583 HD1 TYR 73 HD2 TYR 73 5.375 9.357 -1.122 584 HD2 TYR 73 HD1 TYR 73 9.191 8.384 -2.749 585 HE1 TYR 73 HE2 TYR 73 5.119 11.154 -2.781 586 HE2 TYR 73 HE1 TYR 73 8.946 10.182 -4.407 587 HH TYR 73 HH TYR 73 7.307 11.517 -5.449 588 H ARG 74 H ARG 74 6.946 8.009 2.815 589 HA ARG 74 HA ARG 74 7.803 5.265 3.431 590 HB2 ARG 74 2HB ARG 74 8.508 6.158 5.737 591 HB3 ARG 74 3HB ARG 74 9.596 6.435 4.384 592 HG2 ARG 74 2HG ARG 74 9.295 8.685 4.413 593 HG3 ARG 74 3HG ARG 74 7.613 8.566 4.927 594 HD2 ARG 74 2HD ARG 74 9.947 7.977 6.744 595 HD3 ARG 74 3HD ARG 74 9.194 9.570 6.612 596 HE ARG 74 HE ARG 74 7.149 7.785 7.117 597 HH11 ARG 74 1HH1 ARG 74 10.010 8.815 8.734 598 HH12 ARG 74 2HH1 ARG 74 9.343 8.565 10.304 599 HH21 ARG 74 1HH2 ARG 74 6.304 7.477 9.140 600 HH22 ARG 74 2HH2 ARG 74 7.264 7.833 10.531 601 H PHE 75 H PHE 75 6.756 4.313 5.272 602 HA PHE 75 HA PHE 75 4.243 5.621 6.105 603 HB2 PHE 75 2HB PHE 75 5.039 2.697 6.219 604 HB3 PHE 75 3HB PHE 75 3.542 3.343 6.868 605 HD1 PHE 75 HD1 PHE 75 1.863 4.350 5.285 606 HD2 PHE 75 HD2 PHE 75 5.240 2.126 3.937 607 HE1 PHE 75 HE1 PHE 75 0.752 3.974 3.126 608 HE2 PHE 75 HE2 PHE 75 4.127 1.751 1.773 609 HZ PHE 75 HZ PHE 75 1.881 2.671 1.368 610 H GLU 76 H GLU 76 6.205 3.109 7.662 611 HA GLU 76 HA GLU 76 5.869 4.424 10.236 612 HB2 GLU 76 2HB GLU 76 5.378 2.054 10.079 613 HB3 GLU 76 3HB GLU 76 6.993 1.725 9.469 614 HG2 GLU 76 2HG GLU 76 7.894 2.570 11.651 615 HG3 GLU 76 3HG GLU 76 6.233 2.645 12.236 616 H GLY 77 H GLY 77 8.677 2.722 8.790 617 HA2 GLY 77 2HA GLY 77 10.425 4.630 10.219 618 HA3 GLY 77 3HA GLY 77 10.858 2.980 9.812 619 H THR 78 H THR 78 11.608 2.502 7.727 620 HA THR 78 HA THR 78 13.057 4.649 6.524 621 HB THR 78 HB THR 78 13.970 2.359 6.655 622 HG1 THR 78 HG1 THR 78 14.264 2.416 4.063 623 HG21 THR 78 3HG2 THR 78 11.965 1.702 4.483 624 HG22 THR 78 1HG2 THR 78 11.909 1.106 6.144 625 HG23 THR 78 2HG2 THR 78 13.238 0.640 5.082 626 H GLY 79 H GLY 79 13.119 5.013 4.141 627 HA2 GLY 79 2HA GLY 79 10.474 4.811 2.858 628 HA3 GLY 79 3HA GLY 79 11.198 6.398 3.060 629 H PHE 80 H PHE 80 10.519 5.553 0.557 630 HA PHE 80 HA PHE 80 13.132 4.975 -0.703 631 HB2 PHE 80 2HB PHE 80 10.395 3.986 -1.548 632 HB3 PHE 80 3HB PHE 80 11.848 3.824 -2.531 633 HD1 PHE 80 HD1 PHE 80 10.330 2.858 0.713 634 HD2 PHE 80 HD2 PHE 80 13.357 2.047 -2.171 635 HE1 PHE 80 HE1 PHE 80 10.872 0.766 1.880 636 HE2 PHE 80 HE2 PHE 80 13.899 -0.048 -1.005 637 HZ PHE 80 HZ PHE 80 12.658 -0.691 1.021 638 H SER 81 H SER 81 13.473 5.872 -2.806 639 HA SER 81 HA SER 81 12.803 8.595 -2.992 640 HB2 SER 81 2HB SER 81 14.857 7.727 -3.962 641 HB3 SER 81 3HB SER 81 13.944 6.735 -5.096 642 HG SER 81 HG SER 81 14.221 8.422 -6.338 643 H ASN 82 H ASN 82 11.057 5.845 -4.138 644 HA ASN 82 HA ASN 82 9.156 7.607 -5.538 645 HB2 ASN 82 2HB ASN 82 10.267 5.020 -6.665 646 HB3 ASN 82 3HB ASN 82 8.925 5.920 -7.360 647 HD21 ASN 82 1HD2 ASN 82 12.359 5.895 -6.791 648 HD22 ASN 82 2HD2 ASN 82 12.750 7.134 -7.926 649 H ILE 83 H ILE 83 7.002 6.996 -5.395 650 HA ILE 83 HA ILE 83 6.106 5.336 -3.342 651 HB ILE 83 HB ILE 83 4.618 6.160 -5.851 652 HG12 ILE 83 2HG1 ILE 83 4.636 7.332 -3.054 653 HG13 ILE 83 3HG1 ILE 83 5.368 8.056 -4.480 654 HG21 ILE 83 1HG2 ILE 83 3.524 5.003 -3.279 655 HG22 ILE 83 2HG2 ILE 83 3.555 4.205 -4.852 656 HG23 ILE 83 3HG2 ILE 83 2.557 5.639 -4.613 657 HD11 ILE 83 3HD1 ILE 83 3.149 8.289 -5.488 658 HD12 ILE 83 1HD1 ILE 83 3.269 9.130 -3.942 659 HD13 ILE 83 2HD1 ILE 83 2.426 7.583 -4.042 660 HA PRO 84 HA PRO 84 5.347 1.846 -6.764 661 HB2 PRO 84 2HB PRO 84 7.292 1.967 -8.757 662 HB3 PRO 84 3HB PRO 84 5.609 2.467 -8.941 663 HG2 PRO 84 2HG PRO 84 8.031 4.130 -8.369 664 HG3 PRO 84 3HG PRO 84 6.652 4.479 -9.430 665 HD2 PRO 84 2HD PRO 84 6.853 5.615 -7.017 666 HD3 PRO 84 3HD PRO 84 5.277 5.089 -7.648 667 H GLN 85 H GLN 85 8.583 3.160 -6.127 668 HA GLN 85 HA GLN 85 9.869 0.607 -5.944 669 HB2 GLN 85 2HB GLN 85 10.727 3.362 -5.030 670 HB3 GLN 85 3HB GLN 85 11.758 1.937 -4.954 671 HG2 GLN 85 2HG GLN 85 10.557 3.062 -7.484 672 HG3 GLN 85 3HG GLN 85 12.200 3.363 -6.922 673 HE21 GLN 85 1HE2 GLN 85 10.022 0.978 -8.243 674 HE22 GLN 85 2HE2 GLN 85 11.238 -0.158 -8.694 675 H LEU 86 H LEU 86 8.356 2.770 -3.622 676 HA LEU 86 HA LEU 86 9.152 1.613 -1.218 677 HB2 LEU 86 2HB LEU 86 7.899 3.689 -1.333 678 HB3 LEU 86 3HB LEU 86 6.516 2.862 -2.018 679 HG LEU 86 HG LEU 86 6.152 1.685 0.112 680 HD11 LEU 86 1HD1 LEU 86 8.460 1.581 0.900 681 HD12 LEU 86 2HD1 LEU 86 7.405 2.303 2.113 682 HD13 LEU 86 3HD1 LEU 86 8.464 3.329 1.144 683 HD21 LEU 86 3HD2 LEU 86 6.395 4.686 0.381 684 HD22 LEU 86 1HD2 LEU 86 5.449 3.636 1.439 685 HD23 LEU 86 2HD2 LEU 86 5.012 3.798 -0.261 686 H ILE 87 H ILE 87 6.232 0.846 -3.126 687 HA ILE 87 HA ILE 87 5.530 -1.461 -1.605 688 HB ILE 87 HB ILE 87 4.685 -0.635 -4.390 689 HG12 ILE 87 2HG1 ILE 87 4.060 1.011 -2.686 690 HG13 ILE 87 3HG1 ILE 87 2.630 0.167 -3.270 691 HG21 ILE 87 1HG2 ILE 87 2.785 -2.167 -4.088 692 HG22 ILE 87 2HG2 ILE 87 3.476 -2.713 -2.558 693 HG23 ILE 87 3HG2 ILE 87 4.328 -3.024 -4.072 694 HD11 ILE 87 3HD1 ILE 87 4.067 -0.373 -0.678 695 HD12 ILE 87 1HD1 ILE 87 2.639 -1.229 -1.262 696 HD13 ILE 87 2HD1 ILE 87 2.540 0.488 -0.871 697 H ASP 88 H ASP 88 7.082 -1.072 -4.799 698 HA ASP 88 HA ASP 88 7.384 -3.710 -5.544 699 HB2 ASP 88 2HB ASP 88 7.952 -2.021 -7.112 700 HB3 ASP 88 3HB ASP 88 9.131 -1.298 -6.024 701 H HIS 89 H HIS 89 9.769 -1.788 -3.674 702 HA HIS 89 HA HIS 89 11.561 -3.970 -3.393 703 HB2 HIS 89 2HB HIS 89 12.075 -1.459 -3.166 704 HB3 HIS 89 3HB HIS 89 11.498 -1.616 -1.510 705 HD1 HIS 89 HD1 HIS 89 14.190 -2.965 -3.802 706 HD2 HIS 89 HD2 HIS 89 13.359 -2.639 0.261 707 HE1 HIS 89 HE1 HIS 89 16.288 -3.686 -2.623 708 HE2 HIS 89 HE2 HIS 89 15.744 -3.549 -0.176 709 H HIS 90 H HIS 90 8.949 -2.732 -1.314 710 HA HIS 90 HA HIS 90 9.480 -4.483 0.865 711 HB2 HIS 90 2HB HIS 90 7.173 -2.802 0.026 712 HB3 HIS 90 3HB HIS 90 6.830 -4.109 1.154 713 HD1 HIS 90 HD1 HIS 90 8.314 -0.745 0.946 714 HD2 HIS 90 HD2 HIS 90 8.204 -3.886 3.664 715 HE1 HIS 90 HE1 HIS 90 9.077 0.230 3.132 716 HE2 HIS 90 HE2 HIS 90 8.847 -1.652 4.790 717 H TYR 91 H TYR 91 7.644 -4.924 -2.120 718 HA TYR 91 HA TYR 91 6.478 -7.422 -1.313 719 HB2 TYR 91 2HB TYR 91 5.562 -5.851 -3.097 720 HB3 TYR 91 3HB TYR 91 6.836 -6.447 -4.156 721 HD1 TYR 91 HD2 TYR 91 6.819 -8.831 -4.897 722 HD2 TYR 91 HD1 TYR 91 3.621 -7.177 -2.620 723 HE1 TYR 91 HE2 TYR 91 5.394 -10.735 -5.521 724 HE2 TYR 91 HE1 TYR 91 2.190 -9.075 -3.240 725 HH TYR 91 HH TYR 91 3.391 -11.907 -4.634 726 H THR 92 H THR 92 9.225 -6.522 -3.396 727 HA THR 92 HA THR 92 9.957 -9.170 -4.106 728 HB THR 92 HB THR 92 12.159 -8.180 -4.764 729 HG1 THR 92 HG1 THR 92 11.193 -5.597 -4.323 730 HG21 THR 92 3HG2 THR 92 11.243 -6.717 -6.538 731 HG22 THR 92 1HG2 THR 92 9.686 -6.718 -5.710 732 HG23 THR 92 2HG2 THR 92 10.336 -8.219 -6.368 733 H THR 93 H THR 93 11.032 -7.058 -1.445 734 HA THR 93 HA THR 93 12.778 -9.100 -0.347 735 HB THR 93 HB THR 93 13.026 -7.648 1.606 736 HG1 THR 93 HG1 THR 93 11.513 -5.563 0.593 737 HG21 THR 93 3HG2 THR 93 13.122 -6.063 -0.969 738 HG22 THR 93 1HG2 THR 93 14.384 -7.141 -0.375 739 HG23 THR 93 2HG2 THR 93 13.988 -5.673 0.517 740 H LYS 94 H LYS 94 9.462 -8.507 -0.358 741 HA LYS 94 HA LYS 94 7.660 -9.379 0.684 742 HB2 LYS 94 2HB LYS 94 9.143 -11.452 -0.077 743 HB3 LYS 94 3HB LYS 94 9.270 -11.712 1.658 744 HG2 LYS 94 2HG LYS 94 7.449 -13.016 0.651 745 HG3 LYS 94 3HG LYS 94 6.854 -11.862 1.849 746 HD2 LYS 94 2HD LYS 94 6.120 -10.353 0.120 747 HD3 LYS 94 3HD LYS 94 6.879 -11.338 -1.132 748 HE2 LYS 94 2HE LYS 94 4.617 -12.261 0.644 749 HE3 LYS 94 3HE LYS 94 4.412 -11.619 -0.985 750 HZ1 LYS 94 3HZ LYS 94 5.784 -13.436 -1.820 751 HZ2 LYS 94 1HZ LYS 94 4.420 -14.019 -1.005 752 HZ3 LYS 94 2HZ LYS 94 5.934 -14.058 -0.259 753 H GLN 95 H GLN 95 8.843 -7.465 2.175 754 HA GLN 95 HA GLN 95 8.856 -8.496 4.942 755 HB2 GLN 95 2HB GLN 95 10.198 -6.067 3.741 756 HB3 GLN 95 3HB GLN 95 10.086 -6.344 5.474 757 HG2 GLN 95 2HG GLN 95 11.462 -8.132 3.473 758 HG3 GLN 95 3HG GLN 95 12.249 -7.044 4.619 759 HE21 GLN 95 1HE2 GLN 95 10.456 -9.997 4.243 760 HE22 GLN 95 2HE2 GLN 95 10.797 -10.644 5.809 761 H VAL 96 H VAL 96 8.002 -7.078 6.604 762 HA VAL 96 HA VAL 96 5.350 -6.328 6.065 763 HB VAL 96 HB VAL 96 5.313 -5.441 8.372 764 HG11 VAL 96 1HG1 VAL 96 6.711 -8.104 8.070 765 HG12 VAL 96 2HG1 VAL 96 4.970 -7.820 8.030 766 HG13 VAL 96 3HG1 VAL 96 5.873 -7.549 9.521 767 HG21 VAL 96 3HG2 VAL 96 7.538 -4.445 8.444 768 HG22 VAL 96 1HG2 VAL 96 8.278 -6.044 8.345 769 HG23 VAL 96 2HG2 VAL 96 7.334 -5.591 9.767 770 H ILE 97 H ILE 97 4.306 -4.348 6.001 771 HA ILE 97 HA ILE 97 5.724 -2.068 5.014 772 HB ILE 97 HB ILE 97 2.865 -2.425 5.943 773 HG12 ILE 97 2HG1 ILE 97 3.465 -3.645 3.897 774 HG13 ILE 97 3HG1 ILE 97 2.359 -2.326 3.531 775 HG21 ILE 97 1HG2 ILE 97 4.093 -0.012 4.597 776 HG22 ILE 97 2HG2 ILE 97 3.499 -0.086 6.254 777 HG23 ILE 97 3HG2 ILE 97 2.373 -0.253 4.908 778 HD11 ILE 97 3HD1 ILE 97 4.105 -2.488 1.864 779 HD12 ILE 97 1HD1 ILE 97 5.340 -2.302 3.106 780 HD13 ILE 97 2HD1 ILE 97 4.237 -0.972 2.749 781 H THR 98 H THR 98 3.988 -2.709 8.058 782 HA THR 98 HA THR 98 5.783 -0.808 9.430 783 HB THR 98 HB THR 98 3.960 -0.100 10.908 784 HG1 THR 98 HG1 THR 98 1.756 -0.743 10.164 785 HG21 THR 98 3HG2 THR 98 4.329 1.197 8.837 786 HG22 THR 98 1HG2 THR 98 2.639 1.226 9.345 787 HG23 THR 98 2HG2 THR 98 3.139 0.190 8.012 788 H LYS 99 H LYS 99 6.795 -1.668 11.170 789 HA LYS 99 HA LYS 99 6.500 -4.378 11.911 790 HB2 LYS 99 2HB LYS 99 7.854 -2.054 13.289 791 HB3 LYS 99 3HB LYS 99 7.914 -3.696 13.920 792 HG2 LYS 99 2HG LYS 99 8.897 -2.865 11.188 793 HG3 LYS 99 3HG LYS 99 9.918 -3.069 12.614 794 HD2 LYS 99 2HD LYS 99 9.301 -5.427 12.748 795 HD3 LYS 99 3HD LYS 99 8.205 -5.235 11.379 796 HE2 LYS 99 2HE LYS 99 10.322 -6.270 10.706 797 HE3 LYS 99 3HE LYS 99 10.081 -4.712 9.918 798 HZ1 LYS 99 3HZ LYS 99 11.623 -3.702 11.387 799 HZ2 LYS 99 1HZ LYS 99 12.353 -5.100 10.783 800 HZ3 LYS 99 2HZ LYS 99 11.729 -5.087 12.352 801 H LYS 100 H LYS 100 5.068 -1.436 13.167 802 HA LYS 100 HA LYS 100 4.066 -2.432 15.601 803 HB2 LYS 100 2HB LYS 100 2.550 -0.491 15.543 804 HB3 LYS 100 3HB LYS 100 4.200 -0.050 15.131 805 HG2 LYS 100 2HG LYS 100 3.516 -0.185 12.707 806 HG3 LYS 100 3HG LYS 100 1.851 -0.340 13.267 807 HD2 LYS 100 2HD LYS 100 3.706 1.974 13.862 808 HD3 LYS 100 3HD LYS 100 2.409 1.981 12.667 809 HE2 LYS 100 2HE LYS 100 2.049 1.599 15.645 810 HE3 LYS 100 3HE LYS 100 1.761 3.099 14.766 811 HZ1 LYS 100 3HZ LYS 100 0.291 0.542 14.444 812 HZ2 LYS 100 1HZ LYS 100 0.071 1.896 13.454 813 HZ3 LYS 100 2HZ LYS 100 -0.304 1.981 15.099 814 H SER 101 H SER 101 2.918 -2.884 12.338 815 HA SER 101 HA SER 101 0.433 -4.115 13.368 816 HB2 SER 101 2HB SER 101 0.056 -2.302 11.733 817 HB3 SER 101 3HB SER 101 1.025 -3.171 10.546 818 HG SER 101 HG SER 101 -0.712 -4.925 11.265 819 H GLY 102 H GLY 102 3.352 -4.745 11.557 820 HA2 GLY 102 2HA GLY 102 4.337 -6.717 10.920 821 HA3 GLY 102 3HA GLY 102 3.166 -7.543 11.932 822 H VAL 103 H VAL 103 2.534 -5.545 9.045 823 HA VAL 103 HA VAL 103 1.249 -7.905 7.818 824 HB VAL 103 HB VAL 103 0.773 -4.972 7.234 825 HG11 VAL 103 1HG1 VAL 103 -1.113 -5.752 5.872 826 HG12 VAL 103 2HG1 VAL 103 -0.638 -7.424 6.167 827 HG13 VAL 103 3HG1 VAL 103 0.424 -6.353 5.252 828 HG21 VAL 103 3HG2 VAL 103 -0.090 -5.629 9.428 829 HG22 VAL 103 1HG2 VAL 103 -0.955 -6.983 8.696 830 HG23 VAL 103 2HG2 VAL 103 -1.412 -5.326 8.301 831 H VAL 104 H VAL 104 2.220 -8.833 6.142 832 HA VAL 104 HA VAL 104 4.266 -7.401 4.593 833 HB VAL 104 HB VAL 104 3.498 -10.337 4.578 834 HG11 VAL 104 1HG1 VAL 104 5.834 -8.943 3.260 835 HG12 VAL 104 2HG1 VAL 104 4.455 -9.669 2.436 836 HG13 VAL 104 3HG1 VAL 104 5.586 -10.689 3.326 837 HG21 VAL 104 3HG2 VAL 104 5.594 -10.693 5.798 838 HG22 VAL 104 1HG2 VAL 104 4.497 -9.647 6.701 839 HG23 VAL 104 2HG2 VAL 104 5.870 -8.951 5.839 840 H LEU 105 H LEU 105 4.242 -7.449 2.246 841 HA LEU 105 HA LEU 105 1.553 -7.300 1.119 842 HB2 LEU 105 2HB LEU 105 4.237 -6.658 -0.117 843 HB3 LEU 105 3HB LEU 105 2.679 -6.368 -0.870 844 HG LEU 105 HG LEU 105 3.772 -5.011 1.598 845 HD11 LEU 105 1HD1 LEU 105 3.182 -3.999 -1.185 846 HD12 LEU 105 2HD1 LEU 105 4.773 -4.203 -0.450 847 HD13 LEU 105 3HD1 LEU 105 3.660 -2.993 0.182 848 HD21 LEU 105 3HD2 LEU 105 1.729 -3.663 1.572 849 HD22 LEU 105 1HD2 LEU 105 1.362 -5.368 1.829 850 HD23 LEU 105 2HD2 LEU 105 1.093 -4.637 0.247 851 H LEU 106 H LEU 106 0.655 -9.073 0.260 852 HA LEU 106 HA LEU 106 2.214 -10.682 -1.621 853 HB2 LEU 106 2HB LEU 106 1.275 -12.799 -0.728 854 HB3 LEU 106 3HB LEU 106 2.405 -12.015 0.353 855 HG LEU 106 HG LEU 106 -0.587 -11.775 0.690 856 HD11 LEU 106 1HD1 LEU 106 -0.431 -13.528 2.384 857 HD12 LEU 106 2HD1 LEU 106 1.270 -13.777 1.982 858 HD13 LEU 106 3HD1 LEU 106 0.019 -14.141 0.792 859 HD21 LEU 106 3HD2 LEU 106 0.731 -10.072 1.838 860 HD22 LEU 106 1HD2 LEU 106 1.723 -11.323 2.589 861 HD23 LEU 106 2HD2 LEU 106 0.013 -11.188 2.998 862 H ASN 107 H ASN 107 0.910 -11.904 -3.122 863 HA ASN 107 HA ASN 107 -0.619 -11.774 -4.810 864 HB2 ASN 107 2HB ASN 107 -2.918 -12.511 -4.060 865 HB3 ASN 107 3HB ASN 107 -1.575 -13.541 -3.590 866 HD21 ASN 107 1HD2 ASN 107 -3.946 -11.239 -2.456 867 HD22 ASN 107 2HD2 ASN 107 -3.803 -11.649 -0.791 868 HA PRO 108 HA PRO 108 -2.063 -7.408 -4.355 869 HB2 PRO 108 2HB PRO 108 -0.972 -7.043 -7.042 870 HB3 PRO 108 3HB PRO 108 -0.530 -6.227 -5.542 871 HG2 PRO 108 2HG PRO 108 1.109 -7.990 -6.815 872 HG3 PRO 108 3HG PRO 108 1.135 -7.734 -5.061 873 HD2 PRO 108 2HD PRO 108 -0.140 -9.947 -6.635 874 HD3 PRO 108 3HD PRO 108 0.751 -10.024 -5.098 875 H ILE 109 H ILE 109 -3.758 -6.306 -5.442 876 HA ILE 109 HA ILE 109 -5.445 -7.974 -7.139 877 HB ILE 109 HB ILE 109 -5.970 -5.202 -6.030 878 HG12 ILE 109 2HG1 ILE 109 -5.698 -6.862 -4.239 879 HG13 ILE 109 3HG1 ILE 109 -7.378 -6.359 -4.361 880 HG21 ILE 109 1HG2 ILE 109 -7.863 -7.191 -7.297 881 HG22 ILE 109 2HG2 ILE 109 -7.312 -5.678 -8.016 882 HG23 ILE 109 3HG2 ILE 109 -8.322 -5.649 -6.571 883 HD11 ILE 109 3HD1 ILE 109 -7.191 -8.751 -3.979 884 HD12 ILE 109 1HD1 ILE 109 -6.223 -8.923 -5.443 885 HD13 ILE 109 2HD1 ILE 109 -7.911 -8.423 -5.555 886 HA PRO 110 HA PRO 110 -3.489 -6.049 -10.668 887 HB2 PRO 110 2HB PRO 110 -4.627 -7.522 -12.606 888 HB3 PRO 110 3HB PRO 110 -3.444 -8.205 -11.485 889 HG2 PRO 110 2HG PRO 110 -6.441 -8.370 -11.401 890 HG3 PRO 110 3HG PRO 110 -5.247 -9.665 -11.175 891 HD2 PRO 110 2HD PRO 110 -6.461 -8.395 -9.093 892 HD3 PRO 110 3HD PRO 110 -4.815 -9.055 -8.989 893 H LYS 111 H LYS 111 -3.969 -4.889 -12.629 894 HA LYS 111 HA LYS 111 -6.554 -4.341 -13.611 895 HB2 LYS 111 2HB LYS 111 -6.987 -2.105 -12.884 896 HB3 LYS 111 3HB LYS 111 -6.660 -3.040 -11.437 897 HG2 LYS 111 2HG LYS 111 -5.441 -1.161 -10.974 898 HG3 LYS 111 3HG LYS 111 -4.206 -2.120 -11.789 899 HD2 LYS 111 2HD LYS 111 -4.807 -0.927 -13.923 900 HD3 LYS 111 3HD LYS 111 -5.872 0.111 -12.977 901 HE2 LYS 111 2HE LYS 111 -3.949 0.863 -11.653 902 HE3 LYS 111 3HE LYS 111 -2.887 -0.174 -12.603 903 HZ1 LYS 111 3HZ LYS 111 -2.779 2.068 -13.414 904 HZ2 LYS 111 1HZ LYS 111 -4.456 2.142 -13.607 905 HZ3 LYS 111 2HZ LYS 111 -3.536 1.113 -14.584 906 H ASP 112 H ASP 112 -6.485 -2.853 -15.472 907 HA ASP 112 HA ASP 112 -3.843 -1.801 -16.112 908 HB2 ASP 112 2HB ASP 112 -3.967 -2.609 -18.453 909 HB3 ASP 112 3HB ASP 112 -3.807 -3.892 -17.262 910 H LYS 113 H LYS 113 -6.903 -1.955 -17.847 911 HA LYS 113 HA LYS 113 -7.029 0.982 -17.813 912 HB2 LYS 113 2HB LYS 113 -7.204 -0.750 -20.289 913 HB3 LYS 113 3HB LYS 113 -7.637 0.954 -20.249 914 HG2 LYS 113 2HG LYS 113 -4.905 -0.150 -19.595 915 HG3 LYS 113 3HG LYS 113 -5.375 0.552 -21.143 916 HD2 LYS 113 2HD LYS 113 -5.743 2.699 -20.138 917 HD3 LYS 113 3HD LYS 113 -5.559 2.032 -18.516 918 HE2 LYS 113 2HE LYS 113 -3.377 2.154 -20.607 919 HE3 LYS 113 3HE LYS 113 -3.566 3.282 -19.264 920 HZ1 LYS 113 3HZ LYS 113 -3.385 1.298 -17.764 921 HZ2 LYS 113 1HZ LYS 113 -1.971 1.691 -18.610 922 HZ3 LYS 113 2HZ LYS 113 -2.923 0.395 -19.117 923 H LYS 114 H LYS 114 -8.665 -1.660 -16.939 924 HA LYS 114 HA LYS 114 -11.286 -0.702 -17.869 925 HB2 LYS 114 2HB LYS 114 -10.575 -3.268 -16.428 926 HB3 LYS 114 3HB LYS 114 -12.199 -2.799 -16.906 927 HG2 LYS 114 2HG LYS 114 -11.598 -4.244 -18.591 928 HG3 LYS 114 3HG LYS 114 -11.202 -2.676 -19.298 929 HD2 LYS 114 2HD LYS 114 -8.853 -2.981 -18.683 930 HD3 LYS 114 3HD LYS 114 -9.243 -4.533 -17.934 931 HE2 LYS 114 2HE LYS 114 -10.090 -5.288 -20.183 932 HE3 LYS 114 3HE LYS 114 -9.419 -3.801 -20.854 933 HZ1 LYS 114 3HZ LYS 114 -7.846 -5.552 -21.137 934 HZ2 LYS 114 1HZ LYS 114 -7.920 -5.973 -19.502 935 HZ3 LYS 114 2HZ LYS 114 -7.243 -4.499 -19.967 936 H TRP 115 H TRP 115 -12.160 0.826 -16.615 937 HA TRP 115 HA TRP 115 -11.931 0.707 -13.715 938 HB2 TRP 115 2HB TRP 115 -13.387 2.642 -15.541 939 HB3 TRP 115 3HB TRP 115 -13.376 2.765 -13.784 940 HD1 TRP 115 HD1 TRP 115 -11.282 3.567 -16.833 941 HE1 TRP 115 HE1 TRP 115 -9.144 4.803 -16.095 942 HE3 TRP 115 HE3 TRP 115 -11.642 2.871 -11.778 943 HZ2 TRP 115 HZ2 TRP 115 -7.796 5.398 -13.694 944 HZ3 TRP 115 HZ3 TRP 115 -9.882 3.806 -10.333 945 HH2 TRP 115 HH2 TRP 115 -8.000 5.041 -11.272 946 H ILE 116 H ILE 116 -12.937 -1.394 -13.559 947 HA ILE 116 HA ILE 116 -15.839 -1.434 -14.035 948 HB ILE 116 HB ILE 116 -15.289 -4.036 -13.430 949 HG12 ILE 116 2HG1 ILE 116 -13.255 -4.655 -14.784 950 HG13 ILE 116 3HG1 ILE 116 -12.829 -2.948 -14.843 951 HG21 ILE 116 1HG2 ILE 116 -15.442 -4.464 -15.826 952 HG22 ILE 116 2HG2 ILE 116 -15.086 -2.770 -16.165 953 HG23 ILE 116 3HG2 ILE 116 -16.580 -3.209 -15.333 954 HD11 ILE 116 3HD1 ILE 116 -12.581 -2.930 -12.417 955 HD12 ILE 116 1HD1 ILE 116 -11.541 -4.141 -13.168 956 HD13 ILE 116 2HD1 ILE 116 -13.027 -4.635 -12.355
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