NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631433 | 6e26 | 30492 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -13.987 -18.661 -5.272 2 H2 MET 1 HT2 MET 1 -14.686 -17.595 -6.385 3 H3 MET 1 HT3 MET 1 -13.822 -16.989 -5.065 4 HA MET 1 HA MET 1 -11.779 -17.904 -5.898 5 HB2 MET 1 HB2 MET 1 -12.874 -19.882 -6.985 6 HB3 MET 1 HB1 MET 1 -13.472 -18.836 -8.260 7 HG2 MET 1 HG2 MET 1 -11.168 -18.381 -8.979 8 HG3 MET 1 HG1 MET 1 -10.554 -19.401 -7.675 9 HE1 MET 1 HE1 MET 1 -12.749 -21.819 -7.736 10 HE2 MET 1 HE2 MET 1 -11.014 -22.097 -7.572 11 HE3 MET 1 HE3 MET 1 -11.933 -22.957 -8.808 12 H SER 2 H SER 2 -11.013 -15.844 -6.067 13 HA SER 2 HA SER 2 -11.820 -14.170 -8.379 14 HB2 SER 2 HB3 SER 2 -11.518 -13.210 -5.496 15 HB3 SER 2 HB2 SER 2 -11.726 -12.149 -6.892 16 HG SER 2 HG SER 2 -13.765 -12.928 -7.187 17 H ASP 3 H ASP 3 -10.175 -13.231 -9.457 18 HA ASP 3 HA ASP 3 -7.418 -13.676 -8.536 19 HB2 ASP 3 HB3 ASP 3 -8.483 -12.757 -11.239 20 HB3 ASP 3 HB2 ASP 3 -6.786 -13.065 -10.875 21 H TYR 4 H TYR 4 -5.964 -12.084 -8.168 22 HA TYR 4 HA TYR 4 -6.963 -9.330 -7.826 23 HB2 TYR 4 HB2 TYR 4 -4.872 -9.009 -6.460 24 HB3 TYR 4 HB1 TYR 4 -5.941 -10.253 -5.834 25 HD1 TYR 4 HD1 TYR 4 -2.647 -9.621 -7.414 26 HD2 TYR 4 HD2 TYR 4 -5.246 -12.619 -5.825 27 HE1 TYR 4 HE1 TYR 4 -0.778 -11.216 -7.358 28 HE2 TYR 4 HE2 TYR 4 -3.377 -14.213 -5.768 29 HH TYR 4 HH TYR 4 -1.194 -14.548 -6.902 30 H GLU 5 H GLU 5 -5.828 -7.521 -8.648 31 HA GLU 5 HA GLU 5 -4.416 -7.863 -11.151 32 HB2 GLU 5 HB3 GLU 5 -4.917 -5.342 -9.502 33 HB3 GLU 5 HB2 GLU 5 -4.298 -5.372 -11.153 34 HG2 GLU 5 HG3 GLU 5 -6.407 -6.367 -11.938 35 HG3 GLU 5 HG2 GLU 5 -7.032 -6.374 -10.290 36 H ASN 6 H ASN 6 -2.276 -6.967 -11.570 37 HA ASN 6 HA ASN 6 -0.247 -7.774 -9.766 38 HB2 ASN 6 HB3 ASN 6 0.029 -7.800 -12.211 39 HB3 ASN 6 HB2 ASN 6 -0.131 -6.051 -12.272 40 HD21 ASN 6 HD21 ASN 6 1.843 -5.650 -13.185 41 HD22 ASN 6 HD22 ASN 6 3.341 -5.946 -12.378 42 H ASP 7 H ASP 7 1.366 -6.491 -8.700 43 HA ASP 7 HA ASP 7 0.471 -4.471 -7.007 44 HB2 ASP 7 HB3 ASP 7 3.354 -4.912 -7.889 45 HB3 ASP 7 HB2 ASP 7 2.822 -4.166 -6.384 46 H ASP 8 H ASP 8 2.255 -4.201 -10.061 47 HA ASP 8 HA ASP 8 2.846 -1.449 -10.060 48 HB2 ASP 8 HB3 ASP 8 2.429 -3.314 -12.441 49 HB3 ASP 8 HB2 ASP 8 3.222 -1.739 -12.511 50 H GLU 9 H GLU 9 0.058 -3.215 -11.471 51 HA GLU 9 HA GLU 9 -1.275 -0.911 -12.511 52 HB2 GLU 9 HB3 GLU 9 -2.298 -3.717 -11.928 53 HB3 GLU 9 HB2 GLU 9 -3.332 -2.456 -12.586 54 HG2 GLU 9 HG3 GLU 9 -2.708 -3.535 -14.522 55 HG3 GLU 9 HG2 GLU 9 -1.498 -2.266 -14.452 56 H CYS 10 H CYS 10 -1.432 -2.563 -9.386 57 HA CYS 10 HA CYS 10 -3.689 -1.273 -8.274 58 HB2 CYS 10 HB3 CYS 10 -1.198 -2.303 -6.840 59 HB3 CYS 10 HB2 CYS 10 -2.719 -1.889 -6.055 60 HG CYS 10 HG CYS 10 -2.915 -4.190 -8.509 61 H TRP 11 H TRP 11 -0.226 -0.511 -7.811 62 HA TRP 11 HA TRP 11 -0.668 2.053 -6.631 63 HB2 TRP 11 HB2 TRP 11 1.801 0.571 -7.575 64 HB3 TRP 11 HB1 TRP 11 1.915 2.259 -7.079 65 HD1 TRP 11 HD1 TRP 11 1.639 -1.236 -5.605 66 HE1 TRP 11 HE1 TRP 11 1.676 -1.053 -3.036 67 HE3 TRP 11 HE3 TRP 11 1.108 3.836 -5.127 68 HZ2 TRP 11 HZ2 TRP 11 1.498 0.962 -1.081 69 HZ3 TRP 11 HZ3 TRP 11 1.040 4.810 -2.865 70 HH2 TRP 11 HH2 TRP 11 1.231 3.394 -0.885 71 H SER 12 H SER 12 -0.539 1.079 -9.959 72 HA SER 12 HA SER 12 0.335 3.452 -11.202 73 HB2 SER 12 HB3 SER 12 -0.026 1.370 -12.474 74 HB3 SER 12 HB2 SER 12 -1.764 1.485 -12.209 75 HG SER 12 HG SER 12 -0.095 3.038 -13.863 76 H VAL 13 H VAL 13 -2.798 2.638 -9.815 77 HA VAL 13 HA VAL 13 -4.325 4.826 -10.769 78 HB VAL 13 HB VAL 13 -4.666 3.341 -8.121 79 HG11 VAL 13 HG11 VAL 13 -7.055 4.013 -8.291 80 HG12 VAL 13 HG12 VAL 13 -6.683 4.951 -9.739 81 HG13 VAL 13 HG13 VAL 13 -5.982 5.410 -8.186 82 HG21 VAL 13 HG21 VAL 13 -5.832 2.663 -10.855 83 HG22 VAL 13 HG22 VAL 13 -6.248 1.858 -9.341 84 HG23 VAL 13 HG23 VAL 13 -4.609 1.737 -9.980 85 H LEU 14 H LEU 14 -2.701 4.395 -7.582 86 HA LEU 14 HA LEU 14 -3.291 7.024 -6.653 87 HB2 LEU 14 HB3 LEU 14 -1.234 5.036 -5.618 88 HB3 LEU 14 HB2 LEU 14 -1.747 6.492 -4.772 89 HG LEU 14 HG LEU 14 -3.473 4.063 -5.392 90 HD11 LEU 14 HD11 LEU 14 -3.563 3.753 -2.965 91 HD12 LEU 14 HD12 LEU 14 -2.486 5.132 -2.734 92 HD13 LEU 14 HD13 LEU 14 -1.905 3.685 -3.560 93 HD21 LEU 14 HD21 LEU 14 -4.847 6.071 -5.590 94 HD22 LEU 14 HD22 LEU 14 -4.287 6.650 -4.020 95 HD23 LEU 14 HD23 LEU 14 -5.270 5.186 -4.125 96 H GLU 15 H GLU 15 -0.270 5.578 -7.909 97 HA GLU 15 HA GLU 15 1.402 7.820 -7.596 98 HB2 GLU 15 HB3 GLU 15 2.262 5.530 -7.950 99 HB3 GLU 15 HB2 GLU 15 1.660 5.552 -9.603 100 HG2 GLU 15 HG3 GLU 15 3.222 7.386 -10.149 101 HG3 GLU 15 HG2 GLU 15 3.822 7.380 -8.492 102 H GLY 16 H GLY 16 -0.893 7.036 -10.169 103 HA2 GLY 16 HA3 GLY 16 -0.231 8.886 -12.155 104 HA3 GLY 16 HA2 GLY 16 -1.873 8.425 -11.734 105 H PHE 17 H PHE 17 -1.611 9.440 -8.998 106 HA PHE 17 HA PHE 17 -1.950 12.341 -9.389 107 HB2 PHE 17 HB2 PHE 17 -2.670 10.527 -7.028 108 HB3 PHE 17 HB1 PHE 17 -3.061 12.240 -7.148 109 HD1 PHE 17 HD1 PHE 17 -3.900 8.857 -8.321 110 HD2 PHE 17 HD2 PHE 17 -4.870 13.007 -8.643 111 HE1 PHE 17 HE1 PHE 17 -6.010 8.281 -9.437 112 HE2 PHE 17 HE2 PHE 17 -6.982 12.419 -9.756 113 HZ PHE 17 HZ PHE 17 -7.554 10.059 -10.158 114 H ARG 18 H ARG 18 0.811 10.937 -9.113 115 HA ARG 18 HA ARG 18 1.947 11.076 -6.604 116 HB2 ARG 18 HB3 ARG 18 3.161 10.095 -8.482 117 HB3 ARG 18 HB2 ARG 18 3.326 11.669 -9.253 118 HG2 ARG 18 HG3 ARG 18 4.779 12.435 -7.410 119 HG3 ARG 18 HG2 ARG 18 4.582 10.884 -6.597 120 HD2 ARG 18 HD3 ARG 18 5.837 11.190 -9.345 121 HD3 ARG 18 HD2 ARG 18 6.759 11.187 -7.839 122 HE ARG 18 HE ARG 18 5.039 8.881 -8.448 123 HH11 ARG 18 HH11 ARG 18 8.259 10.127 -8.143 124 HH12 ARG 18 HH12 ARG 18 8.962 8.551 -8.122 125 HH21 ARG 18 HH21 ARG 18 6.010 6.878 -8.367 126 HH22 ARG 18 HH22 ARG 18 7.728 6.768 -8.249 127 H VAL 19 H VAL 19 1.708 13.815 -8.893 128 HA VAL 19 HA VAL 19 3.178 15.738 -7.485 129 HB VAL 19 HB VAL 19 1.883 17.467 -8.744 130 HG11 VAL 19 HG11 VAL 19 3.801 16.369 -9.827 131 HG12 VAL 19 HG12 VAL 19 2.560 16.770 -11.013 132 HG13 VAL 19 HG13 VAL 19 2.742 15.104 -10.457 133 HG21 VAL 19 HG21 VAL 19 0.116 16.793 -10.354 134 HG22 VAL 19 HG22 VAL 19 -0.360 16.428 -8.695 135 HG23 VAL 19 HG23 VAL 19 0.199 15.133 -9.754 136 H THR 20 H THR 20 -0.164 14.716 -7.010 137 HA THR 20 HA THR 20 -0.802 16.750 -5.030 138 HB THR 20 HB THR 20 -2.402 14.258 -5.783 139 HG1 THR 20 HG1 THR 20 -2.800 16.889 -6.791 140 HG21 THR 20 HG21 THR 20 -3.181 15.273 -3.678 141 HG22 THR 20 HG22 THR 20 -4.351 15.562 -4.966 142 HG23 THR 20 HG23 THR 20 -3.267 16.856 -4.458 143 H LEU 21 H LEU 21 -0.001 13.256 -5.049 144 HA LEU 21 HA LEU 21 -0.470 12.637 -2.336 145 HB2 LEU 21 HB3 LEU 21 1.767 11.408 -3.996 146 HB3 LEU 21 HB2 LEU 21 0.971 10.703 -2.600 147 HG LEU 21 HG LEU 21 -0.117 11.005 -5.412 148 HD11 LEU 21 HD11 LEU 21 -0.276 8.563 -5.330 149 HD12 LEU 21 HD12 LEU 21 0.389 8.560 -3.697 150 HD13 LEU 21 HD13 LEU 21 1.373 9.116 -5.054 151 HD21 LEU 21 HD21 LEU 21 -2.233 10.004 -4.677 152 HD22 LEU 21 HD22 LEU 21 -1.968 11.560 -3.899 153 HD23 LEU 21 HD23 LEU 21 -1.699 10.069 -2.995 154 H THR 22 H THR 22 2.515 13.640 -3.966 155 HA THR 22 HA THR 22 4.264 13.618 -1.767 156 HB THR 22 HB THR 22 5.774 15.016 -3.189 157 HG1 THR 22 HG1 THR 22 4.051 14.908 -5.372 158 HG21 THR 22 HG21 THR 22 5.792 12.577 -3.524 159 HG22 THR 22 HG22 THR 22 6.048 13.416 -5.055 160 HG23 THR 22 HG23 THR 22 4.472 12.713 -4.688 161 H SER 23 H SER 23 2.006 16.063 -2.832 162 HA SER 23 HA SER 23 3.125 18.213 -1.227 163 HB2 SER 23 HB3 SER 23 0.497 18.031 -2.759 164 HB3 SER 23 HB2 SER 23 1.123 19.496 -1.998 165 HG SER 23 HG SER 23 2.210 18.051 -4.180 166 H VAL 24 H VAL 24 0.046 16.344 -1.139 167 HA VAL 24 HA VAL 24 -0.733 17.563 1.401 168 HB VAL 24 HB VAL 24 -2.198 15.429 -0.214 169 HG11 VAL 24 HG11 VAL 24 -3.247 17.291 1.956 170 HG12 VAL 24 HG12 VAL 24 -2.984 15.554 2.115 171 HG13 VAL 24 HG13 VAL 24 -4.222 16.157 1.013 172 HG21 VAL 24 HG21 VAL 24 -2.549 18.452 -0.334 173 HG22 VAL 24 HG22 VAL 24 -3.559 17.267 -1.166 174 HG23 VAL 24 HG23 VAL 24 -1.857 17.433 -1.600 175 H ILE 25 H ILE 25 -0.179 14.215 0.217 176 HA ILE 25 HA ILE 25 -0.457 13.047 2.845 177 HB ILE 25 HB ILE 25 0.579 11.728 0.297 178 HG12 ILE 25 HG12 ILE 25 -2.252 11.646 1.430 179 HG13 ILE 25 HG11 ILE 25 -1.752 12.701 0.111 180 HG21 ILE 25 HG21 ILE 25 -0.010 9.591 1.402 181 HG22 ILE 25 HG22 ILE 25 -0.459 10.465 2.867 182 HG23 ILE 25 HG23 ILE 25 1.217 10.470 2.316 183 HD11 ILE 25 HD11 ILE 25 -2.885 10.740 -0.717 184 HD12 ILE 25 HD12 ILE 25 -1.712 9.688 0.073 185 HD13 ILE 25 HD13 ILE 25 -1.204 10.746 -1.246 186 H ASP 26 H ASP 26 1.091 13.739 4.219 187 HA ASP 26 HA ASP 26 3.922 13.607 3.635 188 HB2 ASP 26 HB3 ASP 26 2.632 13.912 6.379 189 HB3 ASP 26 HB2 ASP 26 4.250 14.403 5.887 190 HA PRO 27 HA PRO 27 4.213 9.256 4.962 191 HB2 PRO 27 HB3 PRO 27 6.950 9.065 5.080 192 HB3 PRO 27 HB2 PRO 27 6.046 9.027 3.563 193 HG2 PRO 27 HG3 PRO 27 7.522 11.323 4.831 194 HG3 PRO 27 HG2 PRO 27 7.471 10.831 3.123 195 HD2 PRO 27 HD3 PRO 27 5.966 12.885 4.128 196 HD3 PRO 27 HD2 PRO 27 5.440 11.893 2.754 197 H SER 28 H SER 28 5.917 11.939 6.543 198 HA SER 28 HA SER 28 6.316 10.790 9.114 199 HB2 SER 28 HB3 SER 28 6.048 13.730 8.342 200 HB3 SER 28 HB2 SER 28 6.722 13.126 9.857 201 HG SER 28 HG SER 28 8.512 12.526 8.841 202 H ARG 29 H ARG 29 3.442 11.847 7.574 203 HA ARG 29 HA ARG 29 1.893 12.527 9.921 204 HB2 ARG 29 HB3 ARG 29 1.425 13.297 7.514 205 HB3 ARG 29 HB2 ARG 29 0.851 11.671 7.179 206 HG2 ARG 29 HG3 ARG 29 -1.094 12.959 7.586 207 HG3 ARG 29 HG2 ARG 29 -0.847 12.026 9.066 208 HD2 ARG 29 HD3 ARG 29 -1.436 14.345 9.598 209 HD3 ARG 29 HD2 ARG 29 0.220 14.009 10.122 210 HE ARG 29 HE ARG 29 0.184 15.092 7.489 211 HH11 ARG 29 HH11 ARG 29 -0.046 16.100 10.790 212 HH12 ARG 29 HH12 ARG 29 0.384 17.726 10.409 213 HH21 ARG 29 HH21 ARG 29 0.743 17.144 7.058 214 HH22 ARG 29 HH22 ARG 29 0.830 18.305 8.336 215 H ILE 30 H ILE 30 2.375 9.673 7.900 216 HA ILE 30 HA ILE 30 0.572 8.024 9.601 217 HB ILE 30 HB ILE 30 0.284 6.576 7.514 218 HG12 ILE 30 HG12 ILE 30 1.596 8.989 6.142 219 HG13 ILE 30 HG11 ILE 30 2.269 7.367 6.237 220 HG21 ILE 30 HG21 ILE 30 -1.413 8.047 6.488 221 HG22 ILE 30 HG22 ILE 30 -0.742 9.439 7.343 222 HG23 ILE 30 HG23 ILE 30 -1.479 8.114 8.250 223 HD11 ILE 30 HD11 ILE 30 1.365 7.803 4.044 224 HD12 ILE 30 HD12 ILE 30 -0.213 8.181 4.730 225 HD13 ILE 30 HD13 ILE 30 0.427 6.539 4.839 226 H THR 31 H THR 31 3.710 8.512 9.521 227 HA THR 31 HA THR 31 5.095 6.216 8.914 228 HB THR 31 HB THR 31 6.448 6.952 11.243 229 HG1 THR 31 HG1 THR 31 5.929 8.894 11.844 230 HG21 THR 31 HG21 THR 31 6.673 8.326 8.547 231 HG22 THR 31 HG22 THR 31 7.486 6.835 9.018 232 HG23 THR 31 HG23 THR 31 7.895 8.352 9.820 233 HA PRO 32 HA PRO 32 4.238 4.173 13.341 234 HB2 PRO 32 HB3 PRO 32 1.847 4.870 14.573 235 HB3 PRO 32 HB2 PRO 32 3.409 5.609 14.954 236 HG2 PRO 32 HG3 PRO 32 1.252 6.607 13.088 237 HG3 PRO 32 HG2 PRO 32 2.154 7.503 14.332 238 HD2 PRO 32 HD3 PRO 32 2.851 7.707 11.758 239 HD3 PRO 32 HD2 PRO 32 4.105 7.616 13.016 240 H TYR 33 H TYR 33 1.410 5.048 11.330 241 HA TYR 33 HA TYR 33 0.014 2.587 11.722 242 HB2 TYR 33 HB2 TYR 33 -1.042 4.829 11.076 243 HB3 TYR 33 HB1 TYR 33 -0.450 4.548 9.441 244 HD1 TYR 33 HD1 TYR 33 -2.762 3.295 12.067 245 HD2 TYR 33 HD2 TYR 33 -1.572 2.948 7.982 246 HE1 TYR 33 HE1 TYR 33 -4.734 1.898 11.615 247 HE2 TYR 33 HE2 TYR 33 -3.543 1.556 7.528 248 HH TYR 33 HH TYR 33 -5.095 0.081 8.785 249 H LEU 34 H LEU 34 2.095 3.842 9.129 250 HA LEU 34 HA LEU 34 1.902 1.679 7.316 251 HB2 LEU 34 HB3 LEU 34 4.145 3.686 7.734 252 HB3 LEU 34 HB2 LEU 34 4.093 2.553 6.396 253 HG LEU 34 HG LEU 34 2.154 4.846 6.884 254 HD11 LEU 34 HD11 LEU 34 4.354 5.584 6.111 255 HD12 LEU 34 HD12 LEU 34 3.141 5.824 4.858 256 HD13 LEU 34 HD13 LEU 34 4.274 4.474 4.739 257 HD21 LEU 34 HD21 LEU 34 0.942 2.969 5.871 258 HD22 LEU 34 HD22 LEU 34 2.159 2.838 4.598 259 HD23 LEU 34 HD23 LEU 34 1.143 4.279 4.707 260 H ARG 35 H ARG 35 4.384 2.377 9.853 261 HA ARG 35 HA ARG 35 5.830 -0.053 9.419 262 HB2 ARG 35 HB3 ARG 35 7.046 0.450 11.512 263 HB3 ARG 35 HB2 ARG 35 6.996 1.800 10.397 264 HG2 ARG 35 HG3 ARG 35 6.357 3.099 12.116 265 HG3 ARG 35 HG2 ARG 35 4.804 2.276 12.078 266 HD2 ARG 35 HD3 ARG 35 7.158 1.312 13.721 267 HD3 ARG 35 HD2 ARG 35 5.946 2.428 14.336 268 HE ARG 35 HE ARG 35 4.294 0.675 14.090 269 HH11 ARG 35 HH11 ARG 35 7.560 -0.440 13.821 270 HH12 ARG 35 HH12 ARG 35 7.174 -2.004 14.440 271 HH21 ARG 35 HH21 ARG 35 3.845 -1.332 14.872 272 HH22 ARG 35 HH22 ARG 35 5.113 -2.494 15.030 273 H GLN 36 H GLN 36 3.119 0.731 11.568 274 HA GLN 36 HA GLN 36 3.044 -1.637 13.107 275 HB2 GLN 36 HB3 GLN 36 1.666 0.381 13.582 276 HB3 GLN 36 HB2 GLN 36 0.693 0.055 12.157 277 HG2 GLN 36 HG3 GLN 36 -0.486 -0.636 14.182 278 HG3 GLN 36 HG2 GLN 36 -0.122 -2.037 13.175 279 HE21 GLN 36 HE21 GLN 36 -0.284 -3.458 14.934 280 HE22 GLN 36 HE22 GLN 36 0.903 -3.527 16.183 281 H CYS 37 H CYS 37 1.857 -0.979 9.848 282 HA CYS 37 HA CYS 37 0.736 -3.656 9.490 283 HB2 CYS 37 HB3 CYS 37 -0.338 -1.637 8.483 284 HB3 CYS 37 HB2 CYS 37 1.086 -1.403 7.473 285 HG CYS 37 HG CYS 37 0.478 -4.328 6.666 286 H LYS 38 H LYS 38 3.857 -2.555 9.558 287 HA LYS 38 HA LYS 38 5.873 -3.292 8.885 288 HB2 LYS 38 HB3 LYS 38 4.228 -5.726 8.176 289 HB3 LYS 38 HB2 LYS 38 5.942 -5.688 7.793 290 HG2 LYS 38 HG3 LYS 38 4.767 -5.391 10.581 291 HG3 LYS 38 HG2 LYS 38 5.477 -6.864 9.910 292 HD2 LYS 38 HD3 LYS 38 7.626 -5.486 9.559 293 HD3 LYS 38 HD2 LYS 38 6.877 -4.249 10.570 294 HE2 LYS 38 HE3 LYS 38 7.454 -7.111 11.418 295 HE3 LYS 38 HE2 LYS 38 8.409 -5.695 11.853 296 HZ1 LYS 38 HZ1 LYS 38 6.460 -4.801 12.992 297 HZ2 LYS 38 HZ2 LYS 38 6.938 -6.290 13.633 298 HZ3 LYS 38 HZ3 LYS 38 5.591 -6.203 12.620 299 H VAL 39 H VAL 39 3.868 -2.027 6.753 300 HA VAL 39 HA VAL 39 5.175 -2.746 4.249 301 HB VAL 39 HB VAL 39 3.712 -1.167 3.152 302 HG11 VAL 39 HG11 VAL 39 2.187 -2.614 5.352 303 HG12 VAL 39 HG12 VAL 39 2.704 -3.305 3.813 304 HG13 VAL 39 HG13 VAL 39 1.496 -2.022 3.837 305 HG21 VAL 39 HG21 VAL 39 3.857 0.744 4.704 306 HG22 VAL 39 HG22 VAL 39 2.895 -0.126 5.898 307 HG23 VAL 39 HG23 VAL 39 2.170 0.357 4.362 308 H LEU 40 H LEU 40 5.669 -0.488 6.777 309 HA LEU 40 HA LEU 40 7.893 0.848 5.323 310 HB2 LEU 40 HB3 LEU 40 5.933 2.268 6.234 311 HB3 LEU 40 HB2 LEU 40 6.474 1.823 7.838 312 HG LEU 40 HG LEU 40 8.733 2.907 7.216 313 HD11 LEU 40 HD11 LEU 40 8.439 2.961 4.787 314 HD12 LEU 40 HD12 LEU 40 8.706 4.580 5.425 315 HD13 LEU 40 HD13 LEU 40 7.080 4.078 4.956 316 HD21 LEU 40 HD21 LEU 40 6.275 4.689 7.418 317 HD22 LEU 40 HD22 LEU 40 7.938 5.179 7.754 318 HD23 LEU 40 HD23 LEU 40 7.159 3.970 8.769 319 H ASN 41 H ASN 41 9.891 0.148 6.034 320 HA ASN 41 HA ASN 41 10.184 -1.476 8.426 321 HB2 ASN 41 HB3 ASN 41 12.285 -0.378 6.504 322 HB3 ASN 41 HB2 ASN 41 12.594 -1.564 7.769 323 HD21 ASN 41 HD21 ASN 41 11.167 -1.023 4.643 324 HD22 ASN 41 HD22 ASN 41 10.904 -2.686 4.257 325 HA PRO 42 HA PRO 42 11.527 1.700 11.429 326 HB2 PRO 42 HB3 PRO 42 13.925 -0.042 11.981 327 HB3 PRO 42 HB2 PRO 42 12.744 0.632 13.113 328 HG2 PRO 42 HG3 PRO 42 12.665 -1.957 12.468 329 HG3 PRO 42 HG2 PRO 42 11.156 -1.033 12.649 330 HD2 PRO 42 HD3 PRO 42 12.578 -1.874 10.121 331 HD3 PRO 42 HD2 PRO 42 10.838 -1.865 10.486 332 H ASP 43 H ASP 43 13.809 0.370 9.130 333 HA ASP 43 HA ASP 43 15.810 2.367 9.113 334 HB2 ASP 43 HB3 ASP 43 14.894 0.621 6.784 335 HB3 ASP 43 HB2 ASP 43 16.476 1.378 6.977 336 H ASP 44 H ASP 44 12.998 1.872 6.927 337 HA ASP 44 HA ASP 44 13.238 4.318 5.496 338 HB2 ASP 44 HB3 ASP 44 10.799 2.521 5.849 339 HB3 ASP 44 HB2 ASP 44 10.934 3.818 4.664 340 H GLU 45 H GLU 45 11.564 3.446 8.450 341 HA GLU 45 HA GLU 45 9.930 5.726 8.798 342 HB2 GLU 45 HB3 GLU 45 9.564 3.713 10.122 343 HB3 GLU 45 HB2 GLU 45 11.186 3.807 10.798 344 HG2 GLU 45 HG3 GLU 45 10.535 5.921 11.963 345 HG3 GLU 45 HG2 GLU 45 8.893 5.715 11.350 346 H GLU 46 H GLU 46 13.123 4.939 10.222 347 HA GLU 46 HA GLU 46 13.787 7.376 11.411 348 HB2 GLU 46 HB3 GLU 46 15.070 5.306 11.769 349 HB3 GLU 46 HB2 GLU 46 15.593 5.304 10.092 350 HG2 GLU 46 HG3 GLU 46 17.444 6.041 11.382 351 HG3 GLU 46 HG2 GLU 46 16.824 7.459 10.549 352 H GLN 47 H GLN 47 14.488 6.235 8.129 353 HA GLN 47 HA GLN 47 15.847 8.375 7.012 354 HB2 GLN 47 HB3 GLN 47 15.662 6.249 5.879 355 HB3 GLN 47 HB2 GLN 47 13.910 6.364 5.818 356 HG2 GLN 47 HG3 GLN 47 14.063 8.180 4.176 357 HG3 GLN 47 HG2 GLN 47 15.825 8.128 4.266 358 HE21 GLN 47 HE21 GLN 47 12.964 6.389 3.198 359 HE22 GLN 47 HE22 GLN 47 13.784 5.313 2.129 360 H VAL 48 H VAL 48 12.306 7.824 6.907 361 HA VAL 48 HA VAL 48 11.518 10.211 5.650 362 HB VAL 48 HB VAL 48 10.071 8.275 7.502 363 HG11 VAL 48 HG11 VAL 48 8.821 10.708 6.180 364 HG12 VAL 48 HG12 VAL 48 8.993 10.423 7.913 365 HG13 VAL 48 HG13 VAL 48 7.927 9.398 6.956 366 HG21 VAL 48 HG21 VAL 48 10.596 7.475 5.218 367 HG22 VAL 48 HG22 VAL 48 9.736 8.852 4.525 368 HG23 VAL 48 HG23 VAL 48 8.853 7.634 5.448 369 H LEU 49 H LEU 49 11.797 9.453 9.123 370 HA LEU 49 HA LEU 49 10.944 12.051 10.036 371 HB2 LEU 49 HB3 LEU 49 12.257 9.760 11.544 372 HB3 LEU 49 HB2 LEU 49 11.537 11.178 12.295 373 HG LEU 49 HG LEU 49 10.038 9.066 10.686 374 HD11 LEU 49 HD11 LEU 49 10.008 9.581 13.673 375 HD12 LEU 49 HD12 LEU 49 10.753 8.208 12.851 376 HD13 LEU 49 HD13 LEU 49 9.004 8.412 12.805 377 HD21 LEU 49 HD21 LEU 49 8.910 11.487 12.139 378 HD22 LEU 49 HD22 LEU 49 7.970 10.207 11.367 379 HD23 LEU 49 HD23 LEU 49 8.985 11.260 10.388 380 H SER 50 H SER 50 13.981 10.813 8.950 381 HA SER 50 HA SER 50 15.725 12.669 10.235 382 HB2 SER 50 HB3 SER 50 16.587 10.677 9.061 383 HB3 SER 50 HB2 SER 50 16.038 11.325 7.518 384 HG SER 50 HG SER 50 17.638 13.083 8.876 385 H ASP 51 H ASP 51 13.585 12.981 7.450 386 HA ASP 51 HA ASP 51 14.099 15.908 7.388 387 HB2 ASP 51 HB3 ASP 51 13.543 14.165 4.938 388 HB3 ASP 51 HB2 ASP 51 13.689 15.918 4.927 389 HA PRO 52 HA PRO 52 9.571 14.761 8.009 390 HB2 PRO 52 HB3 PRO 52 9.185 15.368 10.578 391 HB3 PRO 52 HB2 PRO 52 10.160 13.957 10.142 392 HG2 PRO 52 HG3 PRO 52 11.069 16.691 11.024 393 HG3 PRO 52 HG2 PRO 52 11.687 15.098 11.507 394 HD2 PRO 52 HD3 PRO 52 12.801 16.742 9.507 395 HD3 PRO 52 HD2 PRO 52 13.118 15.005 9.703 396 H ASN 53 H ASN 53 11.162 17.838 8.719 397 HA ASN 53 HA ASN 53 8.623 19.342 8.421 398 HB2 ASN 53 HB3 ASN 53 9.748 21.179 9.623 399 HB3 ASN 53 HB2 ASN 53 9.763 19.703 10.575 400 HD21 ASN 53 HD21 ASN 53 11.501 22.044 10.768 401 HD22 ASN 53 HD22 ASN 53 13.116 21.467 10.561 402 H LEU 54 H LEU 54 11.600 18.635 6.905 403 HA LEU 54 HA LEU 54 11.971 21.105 5.472 404 HB2 LEU 54 HB3 LEU 54 13.250 18.373 5.111 405 HB3 LEU 54 HB2 LEU 54 13.761 19.832 4.271 406 HG LEU 54 HG LEU 54 13.926 19.340 7.271 407 HD11 LEU 54 HD11 LEU 54 15.612 18.098 6.027 408 HD12 LEU 54 HD12 LEU 54 16.356 19.409 6.938 409 HD13 LEU 54 HD13 LEU 54 16.123 19.570 5.195 410 HD21 LEU 54 HD21 LEU 54 13.432 21.702 6.878 411 HD22 LEU 54 HD22 LEU 54 14.748 21.816 5.706 412 HD23 LEU 54 HD23 LEU 54 15.102 21.512 7.408 413 H VAL 55 H VAL 55 12.051 21.272 3.129 414 HA VAL 55 HA VAL 55 9.759 20.346 1.712 415 HB VAL 55 HB VAL 55 12.314 21.661 0.671 416 HG11 VAL 55 HG11 VAL 55 9.637 21.376 -0.754 417 HG12 VAL 55 HG12 VAL 55 11.145 20.577 -1.199 418 HG13 VAL 55 HG13 VAL 55 11.008 22.330 -1.329 419 HG21 VAL 55 HG21 VAL 55 11.141 23.046 2.330 420 HG22 VAL 55 HG22 VAL 55 9.637 22.904 1.419 421 HG23 VAL 55 HG23 VAL 55 11.011 23.768 0.725 422 H ILE 56 H ILE 56 12.970 19.064 2.099 423 HA ILE 56 HA ILE 56 13.335 17.334 -0.040 424 HB ILE 56 HB ILE 56 14.043 16.625 2.853 425 HG12 ILE 56 HG12 ILE 56 14.841 18.931 2.370 426 HG13 ILE 56 HG11 ILE 56 16.196 17.825 2.545 427 HG21 ILE 56 HG21 ILE 56 15.376 15.805 0.240 428 HG22 ILE 56 HG22 ILE 56 14.386 14.776 1.274 429 HG23 ILE 56 HG23 ILE 56 15.938 15.373 1.859 430 HD11 ILE 56 HD11 ILE 56 15.089 18.878 -0.060 431 HD12 ILE 56 HD12 ILE 56 16.451 17.766 0.109 432 HD13 ILE 56 HD13 ILE 56 16.565 19.403 0.750 433 H ARG 57 H ARG 57 11.324 16.920 2.827 434 HA ARG 57 HA ARG 57 10.475 14.334 2.895 435 HB2 ARG 57 HB3 ARG 57 9.737 16.192 4.411 436 HB3 ARG 57 HB2 ARG 57 8.686 16.790 3.137 437 HG2 ARG 57 HG3 ARG 57 7.670 14.311 3.301 438 HG3 ARG 57 HG2 ARG 57 8.364 14.390 4.920 439 HD2 ARG 57 HD3 ARG 57 6.260 16.222 3.717 440 HD3 ARG 57 HD2 ARG 57 6.057 15.082 5.046 441 HE ARG 57 HE ARG 57 7.782 16.619 6.197 442 HH11 ARG 57 HH11 ARG 57 5.234 17.734 4.122 443 HH12 ARG 57 HH12 ARG 57 5.168 19.283 4.888 444 HH21 ARG 57 HH21 ARG 57 7.634 18.588 7.160 445 HH22 ARG 57 HH22 ARG 57 6.496 19.758 6.595 446 H LYS 58 H LYS 58 9.147 16.874 0.749 447 HA LYS 58 HA LYS 58 7.070 15.463 -0.480 448 HB2 LYS 58 HB3 LYS 58 7.307 17.910 -0.657 449 HB3 LYS 58 HB2 LYS 58 8.771 17.723 -1.617 450 HG2 LYS 58 HG3 LYS 58 7.467 16.661 -3.421 451 HG3 LYS 58 HG2 LYS 58 6.001 16.802 -2.452 452 HD2 LYS 58 HD3 LYS 58 6.239 19.289 -2.533 453 HD3 LYS 58 HD2 LYS 58 7.644 19.092 -3.586 454 HE2 LYS 58 HE3 LYS 58 6.216 17.959 -5.265 455 HE3 LYS 58 HE2 LYS 58 4.814 18.170 -4.212 456 HZ1 LYS 58 HZ1 LYS 58 6.430 20.350 -5.409 457 HZ2 LYS 58 HZ2 LYS 58 5.096 20.557 -4.391 458 HZ3 LYS 58 HZ3 LYS 58 4.892 19.857 -5.918 459 H ARG 59 H ARG 59 10.429 15.914 -1.654 460 HA ARG 59 HA ARG 59 10.390 14.228 -3.892 461 HB2 ARG 59 HB3 ARG 59 12.296 15.594 -3.703 462 HB3 ARG 59 HB2 ARG 59 12.566 15.187 -2.021 463 HG2 ARG 59 HG3 ARG 59 12.968 12.994 -4.036 464 HG3 ARG 59 HG2 ARG 59 14.153 14.297 -4.019 465 HD2 ARG 59 HD3 ARG 59 14.793 13.823 -1.764 466 HD3 ARG 59 HD2 ARG 59 13.381 12.797 -1.498 467 HE ARG 59 HE ARG 59 14.924 11.676 -3.553 468 HH11 ARG 59 HH11 ARG 59 15.242 12.241 -0.151 469 HH12 ARG 59 HH12 ARG 59 16.155 10.801 0.101 470 HH21 ARG 59 HH21 ARG 59 16.073 9.835 -3.186 471 HH22 ARG 59 HH22 ARG 59 16.617 9.456 -1.593 472 H LYS 60 H LYS 60 11.005 13.471 -0.487 473 HA LYS 60 HA LYS 60 11.697 10.732 -0.867 474 HB2 LYS 60 HB3 LYS 60 10.721 12.073 1.684 475 HB3 LYS 60 HB2 LYS 60 11.590 10.538 1.578 476 HG2 LYS 60 HG3 LYS 60 13.528 11.745 0.576 477 HG3 LYS 60 HG2 LYS 60 12.658 13.259 0.773 478 HD2 LYS 60 HD3 LYS 60 14.186 13.150 2.578 479 HD3 LYS 60 HD2 LYS 60 12.607 12.779 3.272 480 HE2 LYS 60 HE3 LYS 60 13.132 10.471 3.494 481 HE3 LYS 60 HE2 LYS 60 14.506 10.591 2.390 482 HZ1 LYS 60 HZ1 LYS 60 14.327 11.766 5.101 483 HZ2 LYS 60 HZ2 LYS 60 15.616 11.998 4.032 484 HZ3 LYS 60 HZ3 LYS 60 15.279 10.454 4.627 485 H VAL 61 H VAL 61 8.534 12.296 -0.475 486 HA VAL 61 HA VAL 61 6.971 9.956 -0.013 487 HB VAL 61 HB VAL 61 6.036 12.304 -1.728 488 HG11 VAL 61 HG11 VAL 61 3.771 11.718 -0.892 489 HG12 VAL 61 HG12 VAL 61 4.454 10.358 0.003 490 HG13 VAL 61 HG13 VAL 61 4.516 10.372 -1.759 491 HG21 VAL 61 HG21 VAL 61 5.167 13.367 0.336 492 HG22 VAL 61 HG22 VAL 61 6.927 13.257 0.324 493 HG23 VAL 61 HG23 VAL 61 5.984 12.131 1.294 494 H GLY 62 H GLY 62 7.912 11.580 -3.072 495 HA2 GLY 62 HA3 GLY 62 6.765 9.771 -4.908 496 HA3 GLY 62 HA2 GLY 62 8.121 10.835 -5.238 497 H VAL 63 H VAL 63 10.044 9.853 -3.510 498 HA VAL 63 HA VAL 63 11.052 7.476 -4.698 499 HB VAL 63 HB VAL 63 11.804 8.806 -2.052 500 HG11 VAL 63 HG11 VAL 63 13.366 6.702 -3.606 501 HG12 VAL 63 HG12 VAL 63 12.598 6.481 -2.033 502 HG13 VAL 63 HG13 VAL 63 13.960 7.587 -2.197 503 HG21 VAL 63 HG21 VAL 63 13.071 9.062 -4.813 504 HG22 VAL 63 HG22 VAL 63 13.675 9.815 -3.335 505 HG23 VAL 63 HG23 VAL 63 12.109 10.293 -3.988 506 H LEU 64 H LEU 64 9.150 8.030 -1.737 507 HA LEU 64 HA LEU 64 9.358 5.431 -0.620 508 HB2 LEU 64 HB3 LEU 64 8.625 7.456 0.657 509 HB3 LEU 64 HB2 LEU 64 7.111 7.441 -0.229 510 HG LEU 64 HG LEU 64 6.603 5.178 0.761 511 HD11 LEU 64 HD11 LEU 64 9.049 5.662 2.483 512 HD12 LEU 64 HD12 LEU 64 8.871 4.419 1.240 513 HD13 LEU 64 HD13 LEU 64 7.868 4.365 2.685 514 HD21 LEU 64 HD21 LEU 64 5.969 5.988 2.985 515 HD22 LEU 64 HD22 LEU 64 5.630 7.196 1.749 516 HD23 LEU 64 HD23 LEU 64 7.037 7.383 2.799 517 H LEU 65 H LEU 65 7.170 6.731 -3.090 518 HA LEU 65 HA LEU 65 5.174 4.750 -3.111 519 HB2 LEU 65 HB3 LEU 65 6.317 6.300 -5.469 520 HB3 LEU 65 HB2 LEU 65 4.824 5.371 -5.520 521 HG LEU 65 HG LEU 65 5.329 7.856 -3.832 522 HD11 LEU 65 HD11 LEU 65 3.538 7.481 -6.249 523 HD12 LEU 65 HD12 LEU 65 5.055 8.383 -6.198 524 HD13 LEU 65 HD13 LEU 65 3.668 8.946 -5.269 525 HD21 LEU 65 HD21 LEU 65 2.800 6.180 -4.028 526 HD22 LEU 65 HD22 LEU 65 2.950 7.728 -3.191 527 HD23 LEU 65 HD23 LEU 65 3.854 6.331 -2.617 528 H ASP 66 H ASP 66 8.360 4.778 -4.691 529 HA ASP 66 HA ASP 66 8.235 2.259 -5.980 530 HB2 ASP 66 HB3 ASP 66 9.977 3.939 -6.508 531 HB3 ASP 66 HB2 ASP 66 10.662 3.760 -4.897 532 H ILE 67 H ILE 67 9.473 3.185 -2.748 533 HA ILE 67 HA ILE 67 10.306 0.655 -1.828 534 HB ILE 67 HB ILE 67 9.183 2.957 -0.158 535 HG12 ILE 67 HG12 ILE 67 12.082 2.418 -0.975 536 HG13 ILE 67 HG11 ILE 67 11.054 3.665 -1.670 537 HG21 ILE 67 HG21 ILE 67 11.025 0.688 0.699 538 HG22 ILE 67 HG22 ILE 67 9.339 0.896 1.178 539 HG23 ILE 67 HG23 ILE 67 10.554 2.060 1.705 540 HD11 ILE 67 HD11 ILE 67 10.962 4.788 0.514 541 HD12 ILE 67 HD12 ILE 67 12.611 4.610 -0.085 542 HD13 ILE 67 HD13 ILE 67 12.020 3.544 1.188 543 H LEU 68 H LEU 68 7.112 2.184 -1.727 544 HA LEU 68 HA LEU 68 5.810 0.095 -0.213 545 HB2 LEU 68 HB3 LEU 68 4.709 2.496 -1.706 546 HB3 LEU 68 HB2 LEU 68 3.724 1.406 -0.744 547 HG LEU 68 HG LEU 68 5.959 3.173 0.337 548 HD11 LEU 68 HD11 LEU 68 4.031 4.501 -0.352 549 HD12 LEU 68 HD12 LEU 68 4.174 4.483 1.403 550 HD13 LEU 68 HD13 LEU 68 2.952 3.485 0.609 551 HD21 LEU 68 HD21 LEU 68 4.024 1.383 1.855 552 HD22 LEU 68 HD22 LEU 68 5.194 2.492 2.575 553 HD23 LEU 68 HD23 LEU 68 5.756 1.106 1.648 554 H GLN 69 H GLN 69 6.331 0.797 -3.617 555 HA GLN 69 HA GLN 69 4.557 -1.121 -4.743 556 HB2 GLN 69 HB3 GLN 69 5.573 0.586 -6.136 557 HB3 GLN 69 HB2 GLN 69 7.191 0.045 -5.727 558 HG2 GLN 69 HG3 GLN 69 6.653 -0.605 -7.992 559 HG3 GLN 69 HG2 GLN 69 6.818 -2.042 -6.986 560 HE21 GLN 69 HE21 GLN 69 5.632 -3.282 -8.422 561 HE22 GLN 69 HE22 GLN 69 3.936 -3.109 -8.633 562 H ARG 70 H ARG 70 7.847 -1.449 -3.392 563 HA ARG 70 HA ARG 70 8.407 -4.121 -4.176 564 HB2 ARG 70 HB3 ARG 70 9.423 -2.355 -1.939 565 HB3 ARG 70 HB2 ARG 70 9.862 -4.051 -1.931 566 HG2 ARG 70 HG3 ARG 70 11.574 -2.483 -2.941 567 HG3 ARG 70 HG2 ARG 70 11.122 -3.862 -3.942 568 HD2 ARG 70 HD3 ARG 70 9.903 -2.525 -5.449 569 HD3 ARG 70 HD2 ARG 70 9.757 -1.206 -4.302 570 HE ARG 70 HE ARG 70 11.855 -0.441 -4.877 571 HH11 ARG 70 HH11 ARG 70 11.378 -3.477 -6.485 572 HH12 ARG 70 HH12 ARG 70 12.578 -3.133 -7.679 573 HH21 ARG 70 HH21 ARG 70 13.344 -0.040 -6.408 574 HH22 ARG 70 HH22 ARG 70 13.677 -1.223 -7.628 575 H THR 71 H THR 71 6.520 -2.848 -1.490 576 HA THR 71 HA THR 71 5.707 -5.563 -0.608 577 HB THR 71 HB THR 71 6.442 -4.078 1.211 578 HG1 THR 71 HG1 THR 71 3.963 -5.187 1.115 579 HG21 THR 71 HG21 THR 71 5.914 -1.876 0.251 580 HG22 THR 71 HG22 THR 71 5.202 -2.052 1.856 581 HG23 THR 71 HG23 THR 71 4.187 -2.206 0.421 582 H GLY 72 H GLY 72 4.825 -4.351 -3.173 583 HA2 GLY 72 HA3 GLY 72 2.959 -2.526 -3.429 584 HA3 GLY 72 HA2 GLY 72 2.949 -3.947 -4.442 585 H HIS 73 H HIS 73 1.701 -5.920 -3.094 586 HA HIS 73 HA HIS 73 -1.021 -5.066 -3.095 587 HB2 HIS 73 HB2 HIS 73 0.178 -7.719 -2.209 588 HB3 HIS 73 HB1 HIS 73 -1.551 -7.416 -2.323 589 HD1 HIS 73 HD1 HIS 73 0.910 -9.031 -4.167 590 HD2 HIS 73 HD2 HIS 73 -2.033 -6.292 -5.204 591 HE1 HIS 73 HE1 HIS 73 0.512 -9.363 -6.609 592 HE2 HIS 73 HE2 HIS 73 -1.285 -7.735 -7.202 593 H LYS 74 H LYS 74 1.130 -5.944 -0.352 594 HA LYS 74 HA LYS 74 -0.886 -5.514 1.668 595 HB2 LYS 74 HB3 LYS 74 1.130 -6.984 2.028 596 HB3 LYS 74 HB2 LYS 74 2.150 -5.548 2.030 597 HG2 LYS 74 HG3 LYS 74 1.012 -4.719 4.041 598 HG3 LYS 74 HG2 LYS 74 -0.087 -6.093 4.010 599 HD2 LYS 74 HD3 LYS 74 1.567 -6.495 5.717 600 HD3 LYS 74 HD2 LYS 74 1.874 -7.618 4.396 601 HE2 LYS 74 HE3 LYS 74 3.405 -5.013 4.589 602 HE3 LYS 74 HE2 LYS 74 3.888 -6.410 5.543 603 HZ1 LYS 74 HZ1 LYS 74 5.108 -6.265 3.475 604 HZ2 LYS 74 HZ2 LYS 74 3.678 -6.352 2.584 605 HZ3 LYS 74 HZ3 LYS 74 4.170 -7.671 3.518 606 H GLY 75 H GLY 75 1.740 -3.584 0.307 607 HA2 GLY 75 HA3 GLY 75 1.612 -1.301 1.950 608 HA3 GLY 75 HA2 GLY 75 2.309 -1.378 0.343 609 H TYR 76 H TYR 76 -0.080 -2.113 -1.047 610 HA TYR 76 HA TYR 76 -1.215 0.418 -1.608 611 HB2 TYR 76 HB2 TYR 76 -1.056 -1.416 -3.277 612 HB3 TYR 76 HB1 TYR 76 -2.234 -2.356 -2.370 613 HD1 TYR 76 HD1 TYR 76 -4.403 -2.363 -3.305 614 HD2 TYR 76 HD2 TYR 76 -1.969 1.115 -3.823 615 HE1 TYR 76 HE1 TYR 76 -6.175 -1.322 -4.656 616 HE2 TYR 76 HE2 TYR 76 -3.743 2.149 -5.166 617 HH TYR 76 HH TYR 76 -6.898 0.954 -5.320 618 H VAL 77 H VAL 77 -2.642 -2.478 -0.061 619 HA VAL 77 HA VAL 77 -5.125 -1.357 0.671 620 HB VAL 77 HB VAL 77 -3.612 -3.644 2.019 621 HG11 VAL 77 HG11 VAL 77 -6.576 -2.940 2.196 622 HG12 VAL 77 HG12 VAL 77 -5.397 -2.797 3.500 623 HG13 VAL 77 HG13 VAL 77 -5.824 -4.389 2.874 624 HG21 VAL 77 HG21 VAL 77 -4.992 -5.126 0.591 625 HG22 VAL 77 HG22 VAL 77 -3.999 -4.043 -0.384 626 HG23 VAL 77 HG23 VAL 77 -5.720 -3.714 -0.179 627 H ALA 78 H ALA 78 -2.107 -1.712 2.579 628 HA ALA 78 HA ALA 78 -2.981 -0.556 4.999 629 HB1 ALA 78 HB1 ALA 78 -0.913 -1.882 4.780 630 HB2 ALA 78 HB2 ALA 78 -0.614 -0.330 5.561 631 HB3 ALA 78 HB3 ALA 78 -0.166 -0.569 3.869 632 H PHE 79 H PHE 79 -1.579 0.960 2.102 633 HA PHE 79 HA PHE 79 -1.273 3.589 3.208 634 HB2 PHE 79 HB2 PHE 79 -0.049 2.659 1.185 635 HB3 PHE 79 HB1 PHE 79 -1.539 2.826 0.269 636 HD1 PHE 79 HD1 PHE 79 -1.891 4.842 -0.927 637 HD2 PHE 79 HD2 PHE 79 0.846 4.836 2.356 638 HE1 PHE 79 HE1 PHE 79 -1.208 7.138 -1.490 639 HE2 PHE 79 HE2 PHE 79 1.518 7.131 1.793 640 HZ PHE 79 HZ PHE 79 0.496 8.286 -0.131 641 H LEU 80 H LEU 80 -3.807 2.018 1.226 642 HA LEU 80 HA LEU 80 -5.620 4.167 1.000 643 HB2 LEU 80 HB3 LEU 80 -6.192 1.185 1.188 644 HB3 LEU 80 HB2 LEU 80 -7.396 2.387 0.748 645 HG LEU 80 HG LEU 80 -4.890 1.750 -0.860 646 HD11 LEU 80 HD11 LEU 80 -7.779 1.008 -1.400 647 HD12 LEU 80 HD12 LEU 80 -6.483 -0.093 -0.924 648 HD13 LEU 80 HD13 LEU 80 -6.414 0.721 -2.484 649 HD21 LEU 80 HD21 LEU 80 -5.865 3.177 -2.617 650 HD22 LEU 80 HD22 LEU 80 -5.543 4.096 -1.151 651 HD23 LEU 80 HD23 LEU 80 -7.196 3.613 -1.540 652 H GLU 81 H GLU 81 -5.253 1.729 3.555 653 HA GLU 81 HA GLU 81 -7.333 2.514 5.301 654 HB2 GLU 81 HB3 GLU 81 -4.673 1.133 5.828 655 HB3 GLU 81 HB2 GLU 81 -5.916 1.319 7.057 656 HG2 GLU 81 HG3 GLU 81 -6.351 -0.154 4.444 657 HG3 GLU 81 HG2 GLU 81 -5.809 -0.934 5.927 658 H SER 82 H SER 82 -3.909 3.474 5.141 659 HA SER 82 HA SER 82 -3.727 5.214 7.337 660 HB2 SER 82 HB3 SER 82 -2.268 5.319 4.656 661 HB3 SER 82 HB2 SER 82 -1.807 6.259 6.073 662 HG SER 82 HG SER 82 -1.477 3.562 5.538 663 H LEU 83 H LEU 83 -4.565 5.913 3.940 664 HA LEU 83 HA LEU 83 -4.978 8.713 4.302 665 HB2 LEU 83 HB3 LEU 83 -5.996 6.916 2.068 666 HB3 LEU 83 HB2 LEU 83 -5.961 8.673 2.036 667 HG LEU 83 HG LEU 83 -3.607 6.766 1.938 668 HD11 LEU 83 HD11 LEU 83 -4.560 8.891 0.005 669 HD12 LEU 83 HD12 LEU 83 -4.660 7.140 -0.205 670 HD13 LEU 83 HD13 LEU 83 -3.085 7.936 -0.172 671 HD21 LEU 83 HD21 LEU 83 -2.101 8.718 1.972 672 HD22 LEU 83 HD22 LEU 83 -2.964 8.520 3.492 673 HD23 LEU 83 HD23 LEU 83 -3.469 9.769 2.350 674 H GLU 84 H GLU 84 -7.167 5.907 4.324 675 HA GLU 84 HA GLU 84 -9.637 7.228 4.261 676 HB2 GLU 84 HB3 GLU 84 -9.294 4.754 4.012 677 HB3 GLU 84 HB2 GLU 84 -8.987 4.643 5.743 678 HG2 GLU 84 HG3 GLU 84 -11.293 5.487 6.171 679 HG3 GLU 84 HG2 GLU 84 -11.585 5.513 4.435 680 H LEU 85 H LEU 85 -7.412 6.713 6.938 681 HA LEU 85 HA LEU 85 -9.204 7.809 8.964 682 HB2 LEU 85 HB3 LEU 85 -6.276 7.007 9.130 683 HB3 LEU 85 HB2 LEU 85 -7.293 7.433 10.499 684 HG LEU 85 HG LEU 85 -7.672 5.002 8.702 685 HD11 LEU 85 HD11 LEU 85 -5.707 4.767 10.129 686 HD12 LEU 85 HD12 LEU 85 -6.985 3.671 10.646 687 HD13 LEU 85 HD13 LEU 85 -6.668 5.149 11.560 688 HD21 LEU 85 HD21 LEU 85 -9.837 5.803 9.521 689 HD22 LEU 85 HD22 LEU 85 -9.236 5.815 11.181 690 HD23 LEU 85 HD23 LEU 85 -9.404 4.288 10.310 691 H TYR 86 H TYR 86 -6.054 8.769 7.502 692 HA TYR 86 HA TYR 86 -5.990 11.243 9.037 693 HB2 TYR 86 HB2 TYR 86 -4.011 9.943 7.135 694 HB3 TYR 86 HB1 TYR 86 -3.727 11.529 7.847 695 HD1 TYR 86 HD1 TYR 86 -2.741 11.692 10.009 696 HD2 TYR 86 HD2 TYR 86 -4.399 7.941 8.801 697 HE1 TYR 86 HE1 TYR 86 -1.802 10.629 12.012 698 HE2 TYR 86 HE2 TYR 86 -3.451 6.879 10.806 699 HH TYR 86 HH TYR 86 -1.646 7.253 12.425 700 H TYR 87 H TYR 87 -6.133 10.461 5.525 701 HA TYR 87 HA TYR 87 -7.127 13.222 4.998 702 HB2 TYR 87 HB2 TYR 87 -5.328 11.577 3.153 703 HB3 TYR 87 HB1 TYR 87 -5.975 13.173 2.796 704 HD1 TYR 87 HD1 TYR 87 -3.121 11.450 3.987 705 HD2 TYR 87 HD2 TYR 87 -5.344 15.057 4.578 706 HE1 TYR 87 HE1 TYR 87 -1.133 12.521 4.965 707 HE2 TYR 87 HE2 TYR 87 -3.354 16.118 5.547 708 HH TYR 87 HH TYR 87 -0.306 14.979 5.214 709 HA PRO 88 HA PRO 88 -10.076 9.730 3.575 710 HB2 PRO 88 HB3 PRO 88 -12.421 10.766 4.599 711 HB3 PRO 88 HB2 PRO 88 -11.323 9.736 5.527 712 HG2 PRO 88 HG3 PRO 88 -11.542 12.747 5.513 713 HG3 PRO 88 HG2 PRO 88 -11.402 11.645 6.901 714 HD2 PRO 88 HD3 PRO 88 -9.265 13.007 5.950 715 HD3 PRO 88 HD2 PRO 88 -9.094 11.362 6.601 716 H GLN 89 H GLN 89 -10.468 13.243 3.385 717 HA GLN 89 HA GLN 89 -12.240 13.460 1.205 718 HB2 GLN 89 HB3 GLN 89 -9.973 15.317 2.055 719 HB3 GLN 89 HB2 GLN 89 -11.246 15.749 0.912 720 HG2 GLN 89 HG3 GLN 89 -12.938 15.511 2.669 721 HG3 GLN 89 HG2 GLN 89 -11.703 15.005 3.822 722 HE21 GLN 89 HE21 GLN 89 -10.313 16.577 4.687 723 HE22 GLN 89 HE22 GLN 89 -10.602 18.268 4.512 724 H LEU 90 H LEU 90 -8.644 13.583 1.218 725 HA LEU 90 HA LEU 90 -8.386 13.602 -1.623 726 HB2 LEU 90 HB3 LEU 90 -6.627 14.487 -0.064 727 HB3 LEU 90 HB2 LEU 90 -6.266 12.834 0.413 728 HG LEU 90 HG LEU 90 -5.587 12.307 -1.938 729 HD11 LEU 90 HD11 LEU 90 -6.020 15.257 -2.484 730 HD12 LEU 90 HD12 LEU 90 -6.973 13.921 -3.137 731 HD13 LEU 90 HD13 LEU 90 -5.280 14.091 -3.584 732 HD21 LEU 90 HD21 LEU 90 -3.465 13.519 -1.947 733 HD22 LEU 90 HD22 LEU 90 -3.874 12.981 -0.320 734 HD23 LEU 90 HD23 LEU 90 -4.099 14.672 -0.769 735 H TYR 91 H TYR 91 -8.430 11.035 0.782 736 HA TYR 91 HA TYR 91 -7.607 8.811 -0.702 737 HB2 TYR 91 HB2 TYR 91 -7.925 8.554 1.663 738 HB3 TYR 91 HB1 TYR 91 -9.581 9.133 1.586 739 HD1 TYR 91 HD1 TYR 91 -11.247 7.513 1.866 740 HD2 TYR 91 HD2 TYR 91 -7.526 6.305 0.132 741 HE1 TYR 91 HE1 TYR 91 -12.060 5.201 1.723 742 HE2 TYR 91 HE2 TYR 91 -8.352 3.994 -0.003 743 HH TYR 91 HH TYR 91 -10.026 2.565 1.061 744 H LYS 92 H LYS 92 -10.934 10.063 -0.238 745 HA LYS 92 HA LYS 92 -12.089 8.295 -2.195 746 HB2 LYS 92 HB3 LYS 92 -13.255 10.765 -0.858 747 HB3 LYS 92 HB2 LYS 92 -14.172 9.583 -1.797 748 HG2 LYS 92 HG3 LYS 92 -13.535 7.818 -0.161 749 HG3 LYS 92 HG2 LYS 92 -12.663 9.026 0.782 750 HD2 LYS 92 HD3 LYS 92 -14.819 8.619 1.812 751 HD3 LYS 92 HD2 LYS 92 -14.807 10.252 1.144 752 HE2 LYS 92 HE3 LYS 92 -16.150 9.536 -0.754 753 HE3 LYS 92 HE2 LYS 92 -16.031 7.847 -0.255 754 HZ1 LYS 92 HZ1 LYS 92 -18.154 8.852 0.347 755 HZ2 LYS 92 HZ2 LYS 92 -17.356 9.989 1.314 756 HZ3 LYS 92 HZ3 LYS 92 -17.292 8.349 1.712 757 H LYS 93 H LYS 93 -10.673 11.498 -2.366 758 HA LYS 93 HA LYS 93 -11.679 12.296 -4.906 759 HB2 LYS 93 HB3 LYS 93 -10.593 13.839 -3.290 760 HB3 LYS 93 HB2 LYS 93 -9.049 13.041 -3.563 761 HG2 LYS 93 HG3 LYS 93 -9.077 13.785 -5.921 762 HG3 LYS 93 HG2 LYS 93 -10.630 14.580 -5.651 763 HD2 LYS 93 HD3 LYS 93 -7.988 15.295 -4.314 764 HD3 LYS 93 HD2 LYS 93 -8.781 16.210 -5.597 765 HE2 LYS 93 HE3 LYS 93 -9.838 15.785 -2.775 766 HE3 LYS 93 HE2 LYS 93 -9.159 17.277 -3.426 767 HZ1 LYS 93 HZ1 LYS 93 -10.996 17.335 -5.028 768 HZ2 LYS 93 HZ2 LYS 93 -11.543 17.380 -3.428 769 HZ3 LYS 93 HZ3 LYS 93 -11.661 15.949 -4.317 770 H VAL 94 H VAL 94 -8.592 10.637 -4.046 771 HA VAL 94 HA VAL 94 -7.649 10.461 -6.753 772 HB VAL 94 HB VAL 94 -5.799 9.061 -5.868 773 HG11 VAL 94 HG11 VAL 94 -5.582 11.506 -5.771 774 HG12 VAL 94 HG12 VAL 94 -4.762 10.758 -4.400 775 HG13 VAL 94 HG13 VAL 94 -6.334 11.530 -4.173 776 HG21 VAL 94 HG21 VAL 94 -7.012 7.771 -4.148 777 HG22 VAL 94 HG22 VAL 94 -7.219 9.228 -3.175 778 HG23 VAL 94 HG23 VAL 94 -5.604 8.570 -3.443 779 H THR 95 H THR 95 -9.544 8.324 -4.710 780 HA THR 95 HA THR 95 -9.431 6.054 -6.531 781 HB THR 95 HB THR 95 -11.223 5.088 -5.078 782 HG1 THR 95 HG1 THR 95 -11.247 6.748 -3.034 783 HG21 THR 95 HG21 THR 95 -8.896 6.248 -3.492 784 HG22 THR 95 HG22 THR 95 -8.865 4.741 -4.410 785 HG23 THR 95 HG23 THR 95 -9.905 4.889 -2.992 786 H GLY 96 H GLY 96 -11.591 8.781 -5.880 787 HA2 GLY 96 HA3 GLY 96 -13.682 7.929 -7.732 788 HA3 GLY 96 HA2 GLY 96 -13.638 9.405 -6.784 789 H LYS 97 H LYS 97 -12.634 7.891 -9.780 790 HA LYS 97 HA LYS 97 -11.297 10.247 -10.841 791 HB2 LYS 97 HB3 LYS 97 -11.067 8.832 -12.933 792 HB3 LYS 97 HB2 LYS 97 -10.331 8.163 -11.486 793 HG2 LYS 97 HG3 LYS 97 -11.976 6.467 -11.269 794 HG3 LYS 97 HG2 LYS 97 -13.101 7.288 -12.351 795 HD2 LYS 97 HD3 LYS 97 -10.495 5.931 -13.161 796 HD3 LYS 97 HD2 LYS 97 -12.127 5.324 -13.457 797 HE2 LYS 97 HE3 LYS 97 -10.865 7.816 -14.654 798 HE3 LYS 97 HE2 LYS 97 -11.273 6.326 -15.499 799 HZ1 LYS 97 HZ1 LYS 97 -13.617 6.778 -15.078 800 HZ2 LYS 97 HZ2 LYS 97 -12.897 8.057 -15.913 801 HZ3 LYS 97 HZ3 LYS 97 -13.220 8.207 -14.260 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -19.399 -3.085 -7.312 2 H2 MET 1 HT2 MET 1 -18.070 -3.064 -6.267 3 H3 MET 1 HT3 MET 1 -17.960 -3.861 -7.756 4 HA MET 1 HA MET 1 -18.178 -1.820 -8.950 5 HB2 MET 1 HB2 MET 1 -18.254 0.355 -7.779 6 HB3 MET 1 HB1 MET 1 -19.642 -0.645 -7.378 7 HG2 MET 1 HG2 MET 1 -18.588 -1.233 -5.229 8 HG3 MET 1 HG1 MET 1 -17.209 -0.210 -5.635 9 HE1 MET 1 HE1 MET 1 -18.988 0.036 -2.933 10 HE2 MET 1 HE2 MET 1 -19.123 1.790 -2.799 11 HE3 MET 1 HE3 MET 1 -17.586 1.061 -3.259 12 H SER 2 H SER 2 -16.130 -3.216 -6.671 13 HA SER 2 HA SER 2 -13.745 -1.910 -7.846 14 HB2 SER 2 HB3 SER 2 -12.654 -1.815 -5.595 15 HB3 SER 2 HB2 SER 2 -14.091 -0.799 -5.661 16 HG SER 2 HG SER 2 -13.909 -3.400 -4.512 17 H ASP 3 H ASP 3 -12.185 -3.373 -8.400 18 HA ASP 3 HA ASP 3 -12.478 -6.189 -7.489 19 HB2 ASP 3 HB3 ASP 3 -13.161 -5.774 -9.887 20 HB3 ASP 3 HB2 ASP 3 -11.525 -5.220 -10.227 21 H TYR 4 H TYR 4 -10.539 -7.427 -7.331 22 HA TYR 4 HA TYR 4 -8.256 -5.990 -6.293 23 HB2 TYR 4 HB2 TYR 4 -8.798 -8.970 -6.634 24 HB3 TYR 4 HB1 TYR 4 -7.348 -8.323 -5.873 25 HD1 TYR 4 HD1 TYR 4 -11.096 -8.361 -5.553 26 HD2 TYR 4 HD2 TYR 4 -7.361 -7.828 -3.543 27 HE1 TYR 4 HE1 TYR 4 -12.271 -8.268 -3.395 28 HE2 TYR 4 HE2 TYR 4 -8.536 -7.740 -1.385 29 HH TYR 4 HH TYR 4 -10.753 -7.249 -0.499 30 H GLU 5 H GLU 5 -7.570 -4.879 -8.205 31 HA GLU 5 HA GLU 5 -6.275 -6.372 -10.359 32 HB2 GLU 5 HB3 GLU 5 -7.451 -4.196 -10.789 33 HB3 GLU 5 HB2 GLU 5 -6.294 -3.372 -9.756 34 HG2 GLU 5 HG3 GLU 5 -5.796 -3.024 -12.139 35 HG3 GLU 5 HG2 GLU 5 -4.483 -3.865 -11.314 36 H ASN 6 H ASN 6 -3.953 -6.226 -10.786 37 HA ASN 6 HA ASN 6 -2.211 -6.649 -8.646 38 HB2 ASN 6 HB3 ASN 6 -1.526 -5.685 -11.453 39 HB3 ASN 6 HB2 ASN 6 -0.364 -6.328 -10.299 40 HD21 ASN 6 HD21 ASN 6 -2.106 -8.470 -9.314 41 HD22 ASN 6 HD22 ASN 6 -2.202 -9.624 -10.590 42 H ASP 7 H ASP 7 -1.483 -5.325 -7.150 43 HA ASP 7 HA ASP 7 -2.170 -2.632 -6.935 44 HB2 ASP 7 HB3 ASP 7 -0.014 -4.143 -5.406 45 HB3 ASP 7 HB2 ASP 7 -0.752 -2.623 -4.899 46 H ASP 8 H ASP 8 0.776 -4.053 -8.231 47 HA ASP 8 HA ASP 8 2.529 -1.900 -8.340 48 HB2 ASP 8 HB3 ASP 8 3.042 -4.259 -8.999 49 HB3 ASP 8 HB2 ASP 8 2.085 -4.054 -10.460 50 H GLU 9 H GLU 9 0.065 -2.809 -10.795 51 HA GLU 9 HA GLU 9 0.330 -0.521 -12.462 52 HB2 GLU 9 HB3 GLU 9 -0.730 -2.647 -13.192 53 HB3 GLU 9 HB2 GLU 9 -2.066 -2.367 -12.082 54 HG2 GLU 9 HG3 GLU 9 -2.706 -0.349 -13.370 55 HG3 GLU 9 HG2 GLU 9 -1.363 -0.632 -14.478 56 H CYS 10 H CYS 10 -1.601 -1.174 -9.575 57 HA CYS 10 HA CYS 10 -3.244 1.153 -9.644 58 HB2 CYS 10 HB3 CYS 10 -2.417 -0.493 -7.228 59 HB3 CYS 10 HB2 CYS 10 -3.787 0.611 -7.323 60 HG CYS 10 HG CYS 10 -3.993 -2.480 -7.658 61 H TRP 11 H TRP 11 0.043 0.613 -8.433 62 HA TRP 11 HA TRP 11 0.375 3.195 -7.196 63 HB2 TRP 11 HB2 TRP 11 2.390 1.122 -8.159 64 HB3 TRP 11 HB1 TRP 11 2.890 2.657 -7.457 65 HD1 TRP 11 HD1 TRP 11 2.004 -0.821 -6.443 66 HE1 TRP 11 HE1 TRP 11 1.836 -0.983 -3.886 67 HE3 TRP 11 HE3 TRP 11 1.978 4.167 -5.292 68 HZ2 TRP 11 HZ2 TRP 11 1.715 0.747 -1.682 69 HZ3 TRP 11 HZ3 TRP 11 1.823 4.819 -2.927 70 HH2 TRP 11 HH2 TRP 11 1.695 3.147 -1.156 71 H SER 12 H SER 12 0.757 1.943 -10.477 72 HA SER 12 HA SER 12 1.875 4.303 -11.659 73 HB2 SER 12 HB3 SER 12 1.972 2.138 -12.833 74 HB3 SER 12 HB2 SER 12 0.215 2.095 -12.958 75 HG SER 12 HG SER 12 1.520 2.899 -14.842 76 H VAL 13 H VAL 13 -1.428 3.332 -10.855 77 HA VAL 13 HA VAL 13 -2.808 5.532 -12.057 78 HB VAL 13 HB VAL 13 -3.591 3.888 -9.598 79 HG11 VAL 13 HG11 VAL 13 -5.917 4.647 -10.018 80 HG12 VAL 13 HG12 VAL 13 -5.343 5.696 -11.316 81 HG13 VAL 13 HG13 VAL 13 -4.854 6.006 -9.649 82 HG21 VAL 13 HG21 VAL 13 -5.016 2.588 -11.153 83 HG22 VAL 13 HG22 VAL 13 -3.313 2.478 -11.593 84 HG23 VAL 13 HG23 VAL 13 -4.394 3.527 -12.513 85 H LEU 14 H LEU 14 -1.505 5.010 -8.744 86 HA LEU 14 HA LEU 14 -2.090 7.591 -7.726 87 HB2 LEU 14 HB3 LEU 14 0.021 5.597 -6.845 88 HB3 LEU 14 HB2 LEU 14 -0.332 7.084 -5.978 89 HG LEU 14 HG LEU 14 -2.126 4.653 -6.302 90 HD11 LEU 14 HD11 LEU 14 -1.038 6.054 -3.838 91 HD12 LEU 14 HD12 LEU 14 -0.494 4.512 -4.502 92 HD13 LEU 14 HD13 LEU 14 -2.118 4.654 -3.842 93 HD21 LEU 14 HD21 LEU 14 -3.577 6.580 -6.656 94 HD22 LEU 14 HD22 LEU 14 -2.952 7.366 -5.204 95 HD23 LEU 14 HD23 LEU 14 -3.893 5.877 -5.071 96 H GLU 15 H GLU 15 0.600 6.477 -9.695 97 HA GLU 15 HA GLU 15 2.387 8.612 -9.498 98 HB2 GLU 15 HB3 GLU 15 3.000 6.676 -10.784 99 HB3 GLU 15 HB2 GLU 15 1.622 6.848 -11.854 100 HG2 GLU 15 HG3 GLU 15 3.738 7.434 -12.960 101 HG3 GLU 15 HG2 GLU 15 2.614 8.792 -12.917 102 H GLY 16 H GLY 16 -0.538 8.340 -11.542 103 HA2 GLY 16 HA3 GLY 16 -0.502 10.896 -12.741 104 HA3 GLY 16 HA2 GLY 16 -1.927 9.906 -12.489 105 H PHE 17 H PHE 17 -1.192 10.026 -9.453 106 HA PHE 17 HA PHE 17 -2.388 12.686 -8.869 107 HB2 PHE 17 HB2 PHE 17 -2.384 10.118 -7.207 108 HB3 PHE 17 HB1 PHE 17 -3.088 11.645 -6.689 109 HD1 PHE 17 HD1 PHE 17 -3.678 8.581 -8.510 110 HD2 PHE 17 HD2 PHE 17 -5.055 12.603 -8.023 111 HE1 PHE 17 HE1 PHE 17 -5.844 7.967 -9.518 112 HE2 PHE 17 HE2 PHE 17 -7.211 11.979 -9.029 113 HZ PHE 17 HZ PHE 17 -7.610 9.669 -9.778 114 H ARG 18 H ARG 18 0.650 11.344 -8.941 115 HA ARG 18 HA ARG 18 1.631 11.405 -6.310 116 HB2 ARG 18 HB3 ARG 18 2.796 10.211 -8.092 117 HB3 ARG 18 HB2 ARG 18 3.164 11.720 -8.914 118 HG2 ARG 18 HG3 ARG 18 4.645 12.396 -7.078 119 HG3 ARG 18 HG2 ARG 18 4.222 10.942 -6.174 120 HD2 ARG 18 HD3 ARG 18 6.443 10.788 -7.303 121 HD3 ARG 18 HD2 ARG 18 5.317 9.532 -7.822 122 HE ARG 18 HE ARG 18 4.937 10.849 -9.854 123 HH11 ARG 18 HH11 ARG 18 7.875 11.543 -8.148 124 HH12 ARG 18 HH12 ARG 18 8.651 12.130 -9.575 125 HH21 ARG 18 HH21 ARG 18 5.945 11.597 -11.606 126 HH22 ARG 18 HH22 ARG 18 7.571 12.180 -11.495 127 H VAL 19 H VAL 19 1.478 14.027 -8.665 128 HA VAL 19 HA VAL 19 2.994 15.998 -7.373 129 HB VAL 19 HB VAL 19 2.203 16.266 -9.674 130 HG11 VAL 19 HG11 VAL 19 -0.142 16.808 -10.243 131 HG12 VAL 19 HG12 VAL 19 -0.611 16.561 -8.561 132 HG13 VAL 19 HG13 VAL 19 -0.009 15.203 -9.515 133 HG21 VAL 19 HG21 VAL 19 1.484 18.633 -9.625 134 HG22 VAL 19 HG22 VAL 19 2.772 18.331 -8.456 135 HG23 VAL 19 HG23 VAL 19 1.101 18.486 -7.908 136 H THR 20 H THR 20 -0.373 15.048 -6.891 137 HA THR 20 HA THR 20 -0.963 17.025 -4.870 138 HB THR 20 HB THR 20 -2.560 14.556 -5.688 139 HG1 THR 20 HG1 THR 20 -3.785 16.367 -6.799 140 HG21 THR 20 HG21 THR 20 -3.428 17.056 -4.173 141 HG22 THR 20 HG22 THR 20 -3.323 15.416 -3.513 142 HG23 THR 20 HG23 THR 20 -4.509 15.799 -4.762 143 H LEU 21 H LEU 21 -0.085 13.567 -4.908 144 HA LEU 21 HA LEU 21 -0.622 12.961 -2.190 145 HB2 LEU 21 HB3 LEU 21 1.497 11.652 -3.944 146 HB3 LEU 21 HB2 LEU 21 0.788 10.977 -2.485 147 HG LEU 21 HG LEU 21 -0.571 11.359 -5.179 148 HD11 LEU 21 HD11 LEU 21 -0.794 8.916 -5.165 149 HD12 LEU 21 HD12 LEU 21 0.059 8.836 -3.620 150 HD13 LEU 21 HD13 LEU 21 0.896 9.413 -5.064 151 HD21 LEU 21 HD21 LEU 21 -2.198 11.910 -3.426 152 HD22 LEU 21 HD22 LEU 21 -1.871 10.374 -2.622 153 HD23 LEU 21 HD23 LEU 21 -2.609 10.395 -4.224 154 H THR 22 H THR 22 2.380 13.987 -3.810 155 HA THR 22 HA THR 22 4.042 13.988 -1.476 156 HB THR 22 HB THR 22 5.708 15.164 -2.920 157 HG1 THR 22 HG1 THR 22 4.430 15.014 -5.279 158 HG21 THR 22 HG21 THR 22 5.995 13.394 -4.623 159 HG22 THR 22 HG22 THR 22 4.352 12.827 -4.325 160 HG23 THR 22 HG23 THR 22 5.571 12.692 -3.057 161 H SER 23 H SER 23 1.811 16.322 -2.768 162 HA SER 23 HA SER 23 2.872 18.615 -1.310 163 HB2 SER 23 HB3 SER 23 0.229 18.240 -2.795 164 HB3 SER 23 HB2 SER 23 0.752 19.761 -2.066 165 HG SER 23 HG SER 23 1.240 19.006 -4.470 166 H VAL 24 H VAL 24 0.001 16.498 -1.026 167 HA VAL 24 HA VAL 24 -0.953 17.878 1.371 168 HB VAL 24 HB VAL 24 -2.216 15.594 -0.220 169 HG11 VAL 24 HG11 VAL 24 -3.085 15.650 2.083 170 HG12 VAL 24 HG12 VAL 24 -4.328 16.179 0.948 171 HG13 VAL 24 HG13 VAL 24 -3.458 17.368 1.920 172 HG21 VAL 24 HG21 VAL 24 -1.989 17.627 -1.590 173 HG22 VAL 24 HG22 VAL 24 -2.789 18.581 -0.339 174 HG23 VAL 24 HG23 VAL 24 -3.688 17.332 -1.204 175 H ILE 25 H ILE 25 -0.086 14.518 0.435 176 HA ILE 25 HA ILE 25 -0.456 13.487 3.113 177 HB ILE 25 HB ILE 25 0.732 12.104 0.667 178 HG12 ILE 25 HG12 ILE 25 -2.087 11.853 1.798 179 HG13 ILE 25 HG11 ILE 25 -1.668 12.901 0.443 180 HG21 ILE 25 HG21 ILE 25 -0.224 10.880 3.288 181 HG22 ILE 25 HG22 ILE 25 1.451 10.972 2.739 182 HG23 ILE 25 HG23 ILE 25 0.291 9.973 1.862 183 HD11 ILE 25 HD11 ILE 25 -1.370 9.907 0.511 184 HD12 ILE 25 HD12 ILE 25 -0.972 10.962 -0.849 185 HD13 ILE 25 HD13 ILE 25 -2.640 10.823 -0.299 186 H ASP 26 H ASP 26 0.988 13.922 4.637 187 HA ASP 26 HA ASP 26 3.864 14.028 4.187 188 HB2 ASP 26 HB3 ASP 26 2.343 14.014 6.839 189 HB3 ASP 26 HB2 ASP 26 4.000 14.553 6.566 190 HA PRO 27 HA PRO 27 4.280 9.567 5.032 191 HB2 PRO 27 HB3 PRO 27 7.139 10.076 5.645 192 HB3 PRO 27 HB2 PRO 27 6.432 9.116 4.340 193 HG2 PRO 27 HG3 PRO 27 7.665 11.503 3.909 194 HG3 PRO 27 HG2 PRO 27 6.329 10.924 2.890 195 HD2 PRO 27 HD3 PRO 27 6.292 12.953 5.118 196 HD3 PRO 27 HD2 PRO 27 5.440 12.975 3.558 197 H SER 28 H SER 28 5.796 12.019 7.096 198 HA SER 28 HA SER 28 6.151 10.614 9.490 199 HB2 SER 28 HB3 SER 28 7.164 12.815 9.039 200 HB3 SER 28 HB2 SER 28 5.577 13.578 9.072 201 HG SER 28 HG SER 28 5.424 13.043 11.278 202 H ARG 29 H ARG 29 3.222 11.981 8.143 203 HA ARG 29 HA ARG 29 1.620 12.048 10.510 204 HB2 ARG 29 HB3 ARG 29 1.136 13.331 8.422 205 HB3 ARG 29 HB2 ARG 29 0.795 11.825 7.580 206 HG2 ARG 29 HG3 ARG 29 -1.295 12.892 8.160 207 HG3 ARG 29 HG2 ARG 29 -1.124 11.428 9.131 208 HD2 ARG 29 HD3 ARG 29 -0.416 12.771 11.064 209 HD3 ARG 29 HD2 ARG 29 -0.514 14.248 10.097 210 HE ARG 29 HE ARG 29 -3.004 13.316 9.871 211 HH11 ARG 29 HH11 ARG 29 -1.066 13.618 12.726 212 HH12 ARG 29 HH12 ARG 29 -2.432 13.944 13.729 213 HH21 ARG 29 HH21 ARG 29 -4.712 13.734 11.163 214 HH22 ARG 29 HH22 ARG 29 -4.477 14.034 12.849 215 H ILE 30 H ILE 30 2.299 9.602 8.052 216 HA ILE 30 HA ILE 30 0.461 7.649 9.334 217 HB ILE 30 HB ILE 30 0.328 6.518 7.116 218 HG12 ILE 30 HG12 ILE 30 1.918 8.932 6.091 219 HG13 ILE 30 HG11 ILE 30 2.518 7.281 6.178 220 HG21 ILE 30 HG21 ILE 30 -0.493 9.453 7.043 221 HG22 ILE 30 HG22 ILE 30 -1.425 8.127 7.746 222 HG23 ILE 30 HG23 ILE 30 -1.139 8.174 6.007 223 HD11 ILE 30 HD11 ILE 30 0.281 8.276 4.423 224 HD12 ILE 30 HD12 ILE 30 0.845 6.605 4.517 225 HD13 ILE 30 HD13 ILE 30 1.921 7.868 3.920 226 H THR 31 H THR 31 3.700 8.279 9.323 227 HA THR 31 HA THR 31 4.971 5.880 8.655 228 HB THR 31 HB THR 31 6.645 6.615 10.666 229 HG1 THR 31 HG1 THR 31 6.229 8.486 11.488 230 HG21 THR 31 HG21 THR 31 7.839 8.091 9.089 231 HG22 THR 31 HG22 THR 31 6.406 8.161 8.063 232 HG23 THR 31 HG23 THR 31 7.260 6.633 8.276 233 HA PRO 32 HA PRO 32 4.266 4.100 13.166 234 HB2 PRO 32 HB3 PRO 32 2.130 5.071 14.620 235 HB3 PRO 32 HB2 PRO 32 3.778 5.692 14.778 236 HG2 PRO 32 HG3 PRO 32 1.483 6.809 13.172 237 HG3 PRO 32 HG2 PRO 32 2.641 7.661 14.216 238 HD2 PRO 32 HD3 PRO 32 2.915 7.636 11.530 239 HD3 PRO 32 HD2 PRO 32 4.325 7.633 12.611 240 H TYR 33 H TYR 33 1.551 5.156 11.142 241 HA TYR 33 HA TYR 33 -0.212 2.968 11.643 242 HB2 TYR 33 HB2 TYR 33 -0.832 5.222 10.576 243 HB3 TYR 33 HB1 TYR 33 -0.120 4.625 9.084 244 HD1 TYR 33 HD1 TYR 33 -1.149 2.360 8.115 245 HD2 TYR 33 HD2 TYR 33 -3.117 4.785 11.035 246 HE1 TYR 33 HE1 TYR 33 -3.303 1.319 7.528 247 HE2 TYR 33 HE2 TYR 33 -5.261 3.739 10.443 248 HH TYR 33 HH TYR 33 -6.269 2.588 8.441 249 H LEU 34 H LEU 34 2.044 3.663 8.979 250 HA LEU 34 HA LEU 34 1.711 1.264 7.514 251 HB2 LEU 34 HB3 LEU 34 4.087 3.157 7.568 252 HB3 LEU 34 HB2 LEU 34 3.781 1.950 6.329 253 HG LEU 34 HG LEU 34 2.006 4.372 6.860 254 HD11 LEU 34 HD11 LEU 34 4.188 5.069 6.022 255 HD12 LEU 34 HD12 LEU 34 2.944 5.317 4.800 256 HD13 LEU 34 HD13 LEU 34 4.053 3.949 4.662 257 HD21 LEU 34 HD21 LEU 34 1.904 2.329 4.609 258 HD22 LEU 34 HD22 LEU 34 0.961 3.825 4.667 259 HD23 LEU 34 HD23 LEU 34 0.697 2.566 5.878 260 H ARG 35 H ARG 35 4.077 2.237 10.002 261 HA ARG 35 HA ARG 35 5.620 -0.134 10.105 262 HB2 ARG 35 HB3 ARG 35 5.079 2.086 12.096 263 HB3 ARG 35 HB2 ARG 35 6.039 0.688 12.569 264 HG2 ARG 35 HG3 ARG 35 6.714 2.513 10.234 265 HG3 ARG 35 HG2 ARG 35 7.403 2.651 11.858 266 HD2 ARG 35 HD3 ARG 35 7.702 0.302 9.945 267 HD3 ARG 35 HD2 ARG 35 8.959 1.449 10.418 268 HE ARG 35 HE ARG 35 8.580 0.526 12.766 269 HH11 ARG 35 HH11 ARG 35 8.145 -1.471 9.966 270 HH12 ARG 35 HH12 ARG 35 8.516 -2.915 10.828 271 HH21 ARG 35 HH21 ARG 35 9.035 -1.355 13.814 272 HH22 ARG 35 HH22 ARG 35 9.027 -2.853 12.948 273 H GLN 36 H GLN 36 2.714 0.798 11.991 274 HA GLN 36 HA GLN 36 2.530 -1.547 13.587 275 HB2 GLN 36 HB3 GLN 36 1.391 0.593 14.098 276 HB3 GLN 36 HB2 GLN 36 0.337 0.374 12.707 277 HG2 GLN 36 HG3 GLN 36 -0.656 -1.616 13.768 278 HG3 GLN 36 HG2 GLN 36 0.422 -1.426 15.151 279 HE21 GLN 36 HE21 GLN 36 -1.180 1.263 13.496 280 HE22 GLN 36 HE22 GLN 36 -2.203 1.682 14.815 281 H CYS 37 H CYS 37 1.191 -0.746 10.406 282 HA CYS 37 HA CYS 37 -0.168 -3.266 10.001 283 HB2 CYS 37 HB3 CYS 37 0.508 -1.020 8.070 284 HB3 CYS 37 HB2 CYS 37 -0.484 -2.421 7.659 285 HG CYS 37 HG CYS 37 -2.596 -1.027 8.140 286 H LYS 38 H LYS 38 3.063 -2.471 10.064 287 HA LYS 38 HA LYS 38 4.965 -3.598 9.662 288 HB2 LYS 38 HB3 LYS 38 3.118 -5.930 9.012 289 HB3 LYS 38 HB2 LYS 38 4.839 -6.063 9.364 290 HG2 LYS 38 HG3 LYS 38 2.721 -5.052 11.305 291 HG3 LYS 38 HG2 LYS 38 3.408 -6.679 11.301 292 HD2 LYS 38 HD3 LYS 38 5.004 -4.119 11.757 293 HD3 LYS 38 HD2 LYS 38 4.403 -5.171 13.040 294 HE2 LYS 38 HE3 LYS 38 6.372 -6.006 10.875 295 HE3 LYS 38 HE2 LYS 38 6.796 -5.583 12.535 296 HZ1 LYS 38 HZ1 LYS 38 6.651 -7.972 12.231 297 HZ2 LYS 38 HZ2 LYS 38 5.043 -7.841 11.737 298 HZ3 LYS 38 HZ3 LYS 38 5.475 -7.433 13.317 299 H VAL 39 H VAL 39 3.493 -2.266 7.345 300 HA VAL 39 HA VAL 39 4.600 -3.672 5.008 301 HB VAL 39 HB VAL 39 3.324 -2.101 3.627 302 HG11 VAL 39 HG11 VAL 39 1.619 -3.222 5.895 303 HG12 VAL 39 HG12 VAL 39 2.164 -4.111 4.470 304 HG13 VAL 39 HG13 VAL 39 1.041 -2.766 4.288 305 HG21 VAL 39 HG21 VAL 39 3.529 -0.054 4.999 306 HG22 VAL 39 HG22 VAL 39 2.455 -0.743 6.218 307 HG23 VAL 39 HG23 VAL 39 1.838 -0.373 4.604 308 H LEU 40 H LEU 40 5.222 -0.847 6.971 309 HA LEU 40 HA LEU 40 7.424 0.044 5.208 310 HB2 LEU 40 HB3 LEU 40 5.795 1.754 6.043 311 HB3 LEU 40 HB2 LEU 40 6.241 1.357 7.692 312 HG LEU 40 HG LEU 40 8.561 2.191 7.241 313 HD11 LEU 40 HD11 LEU 40 7.463 3.051 4.545 314 HD12 LEU 40 HD12 LEU 40 8.684 1.807 4.830 315 HD13 LEU 40 HD13 LEU 40 9.039 3.489 5.213 316 HD21 LEU 40 HD21 LEU 40 8.008 4.592 7.230 317 HD22 LEU 40 HD22 LEU 40 6.908 3.692 8.272 318 HD23 LEU 40 HD23 LEU 40 6.370 4.226 6.677 319 H ASN 41 H ASN 41 9.561 0.080 5.958 320 HA ASN 41 HA ASN 41 10.224 -1.629 8.267 321 HB2 ASN 41 HB3 ASN 41 12.057 -0.421 6.153 322 HB3 ASN 41 HB2 ASN 41 12.497 -1.663 7.322 323 HD21 ASN 41 HD21 ASN 41 12.427 -1.584 4.318 324 HD22 ASN 41 HD22 ASN 41 11.537 -2.995 3.864 325 HA PRO 42 HA PRO 42 11.425 1.868 10.903 326 HB2 PRO 42 HB3 PRO 42 13.572 0.812 12.296 327 HB3 PRO 42 HB2 PRO 42 11.890 0.384 12.635 328 HG2 PRO 42 HG3 PRO 42 13.916 -1.093 10.951 329 HG3 PRO 42 HG2 PRO 42 12.820 -1.738 12.194 330 HD2 PRO 42 HD3 PRO 42 12.225 -1.967 9.582 331 HD3 PRO 42 HD2 PRO 42 10.950 -1.641 10.775 332 H ASP 43 H ASP 43 13.817 0.323 8.850 333 HA ASP 43 HA ASP 43 15.909 2.241 8.886 334 HB2 ASP 43 HB3 ASP 43 15.130 0.459 6.528 335 HB3 ASP 43 HB2 ASP 43 16.733 1.090 6.907 336 H ASP 44 H ASP 44 13.273 1.678 6.579 337 HA ASP 44 HA ASP 44 13.668 3.952 4.925 338 HB2 ASP 44 HB3 ASP 44 11.230 2.164 5.338 339 HB3 ASP 44 HB2 ASP 44 11.398 3.338 4.030 340 H GLU 45 H GLU 45 11.626 3.354 7.753 341 HA GLU 45 HA GLU 45 10.165 5.755 7.802 342 HB2 GLU 45 HB3 GLU 45 9.621 3.846 9.275 343 HB3 GLU 45 HB2 GLU 45 11.144 4.054 10.138 344 HG2 GLU 45 HG3 GLU 45 10.380 6.293 10.898 345 HG3 GLU 45 HG2 GLU 45 8.845 6.029 10.075 346 H GLU 46 H GLU 46 13.245 4.959 9.498 347 HA GLU 46 HA GLU 46 13.827 7.506 10.544 348 HB2 GLU 46 HB3 GLU 46 14.980 5.500 11.334 349 HB3 GLU 46 HB2 GLU 46 15.705 5.243 9.750 350 HG2 GLU 46 HG3 GLU 46 17.037 7.300 10.007 351 HG3 GLU 46 HG2 GLU 46 16.277 7.609 11.569 352 H GLN 47 H GLN 47 14.640 6.074 7.415 353 HA GLN 47 HA GLN 47 16.443 7.891 6.346 354 HB2 GLN 47 HB3 GLN 47 15.827 5.749 5.269 355 HB3 GLN 47 HB2 GLN 47 14.221 6.373 4.913 356 HG2 GLN 47 HG3 GLN 47 15.245 8.077 3.417 357 HG3 GLN 47 HG2 GLN 47 16.833 7.377 3.734 358 HE21 GLN 47 HE21 GLN 47 17.308 5.301 2.861 359 HE22 GLN 47 HE22 GLN 47 16.370 4.624 1.581 360 H VAL 48 H VAL 48 12.881 7.980 6.135 361 HA VAL 48 HA VAL 48 12.706 10.573 4.903 362 HB VAL 48 HB VAL 48 10.596 8.914 6.355 363 HG11 VAL 48 HG11 VAL 48 8.930 10.372 5.224 364 HG12 VAL 48 HG12 VAL 48 10.234 11.396 4.626 365 HG13 VAL 48 HG13 VAL 48 9.929 11.271 6.360 366 HG21 VAL 48 HG21 VAL 48 11.149 9.223 3.369 367 HG22 VAL 48 HG22 VAL 48 9.810 8.313 4.075 368 HG23 VAL 48 HG23 VAL 48 11.473 7.785 4.342 369 H LEU 49 H LEU 49 12.347 9.390 8.249 370 HA LEU 49 HA LEU 49 11.527 11.874 9.393 371 HB2 LEU 49 HB3 LEU 49 12.506 9.345 10.752 372 HB3 LEU 49 HB2 LEU 49 11.901 10.753 11.615 373 HG LEU 49 HG LEU 49 10.323 8.888 9.801 374 HD11 LEU 49 HD11 LEU 49 10.018 9.553 12.745 375 HD12 LEU 49 HD12 LEU 49 10.672 8.060 12.066 376 HD13 LEU 49 HD13 LEU 49 8.979 8.470 11.810 377 HD21 LEU 49 HD21 LEU 49 9.565 11.158 9.300 378 HD22 LEU 49 HD22 LEU 49 9.351 11.500 11.018 379 HD23 LEU 49 HD23 LEU 49 8.336 10.295 10.221 380 H SER 50 H SER 50 14.615 10.807 8.456 381 HA SER 50 HA SER 50 16.226 12.359 10.206 382 HB2 SER 50 HB3 SER 50 17.141 10.630 8.660 383 HB3 SER 50 HB2 SER 50 16.764 11.663 7.284 384 HG SER 50 HG SER 50 18.634 12.128 9.367 385 H ASP 51 H ASP 51 14.149 13.286 7.540 386 HA ASP 51 HA ASP 51 14.571 16.125 8.026 387 HB2 ASP 51 HB3 ASP 51 15.096 16.580 5.565 388 HB3 ASP 51 HB2 ASP 51 16.387 15.812 6.481 389 HA PRO 52 HA PRO 52 10.315 14.733 6.330 390 HB2 PRO 52 HB3 PRO 52 8.808 14.460 8.528 391 HB3 PRO 52 HB2 PRO 52 10.018 13.230 8.122 392 HG2 PRO 52 HG3 PRO 52 10.215 15.494 10.111 393 HG3 PRO 52 HG2 PRO 52 10.680 13.791 10.318 394 HD2 PRO 52 HD3 PRO 52 12.444 15.847 9.648 395 HD3 PRO 52 HD2 PRO 52 12.737 14.132 9.302 396 H ASN 53 H ASN 53 11.355 17.380 8.270 397 HA ASN 53 HA ASN 53 8.917 18.988 7.959 398 HB2 ASN 53 HB3 ASN 53 10.168 20.659 9.363 399 HB3 ASN 53 HB2 ASN 53 10.001 19.084 10.137 400 HD21 ASN 53 HD21 ASN 53 12.226 21.308 8.647 401 HD22 ASN 53 HD22 ASN 53 13.671 20.525 9.161 402 H LEU 54 H LEU 54 12.019 18.555 6.484 403 HA LEU 54 HA LEU 54 12.322 21.158 5.309 404 HB2 LEU 54 HB3 LEU 54 13.675 18.497 4.709 405 HB3 LEU 54 HB2 LEU 54 14.145 20.024 3.978 406 HG LEU 54 HG LEU 54 14.340 19.326 6.939 407 HD11 LEU 54 HD11 LEU 54 16.058 18.214 5.585 408 HD12 LEU 54 HD12 LEU 54 16.769 19.449 6.617 409 HD13 LEU 54 HD13 LEU 54 16.545 19.763 4.894 410 HD21 LEU 54 HD21 LEU 54 13.802 21.705 6.701 411 HD22 LEU 54 HD22 LEU 54 15.125 21.919 5.551 412 HD23 LEU 54 HD23 LEU 54 15.471 21.504 7.234 413 H VAL 55 H VAL 55 12.679 21.315 2.838 414 HA VAL 55 HA VAL 55 10.252 20.802 1.423 415 HB VAL 55 HB VAL 55 12.944 21.576 0.204 416 HG11 VAL 55 HG11 VAL 55 11.609 22.679 -1.572 417 HG12 VAL 55 HG12 VAL 55 10.122 22.088 -0.826 418 HG13 VAL 55 HG13 VAL 55 11.285 20.945 -1.501 419 HG21 VAL 55 HG21 VAL 55 12.278 23.943 0.489 420 HG22 VAL 55 HG22 VAL 55 12.431 23.122 2.043 421 HG23 VAL 55 HG23 VAL 55 10.831 23.434 1.366 422 H ILE 56 H ILE 56 13.097 18.930 1.899 423 HA ILE 56 HA ILE 56 13.140 17.207 -0.342 424 HB ILE 56 HB ILE 56 14.006 16.423 2.477 425 HG12 ILE 56 HG12 ILE 56 14.980 18.637 2.021 426 HG13 ILE 56 HG11 ILE 56 16.242 17.416 1.975 427 HG21 ILE 56 HG21 ILE 56 15.723 15.043 1.332 428 HG22 ILE 56 HG22 ILE 56 15.077 15.534 -0.237 429 HG23 ILE 56 HG23 ILE 56 14.089 14.571 0.864 430 HD11 ILE 56 HD11 ILE 56 16.223 17.489 -0.470 431 HD12 ILE 56 HD12 ILE 56 16.533 19.073 0.236 432 HD13 ILE 56 HD13 ILE 56 14.943 18.704 -0.427 433 H ARG 57 H ARG 57 10.918 17.375 2.298 434 HA ARG 57 HA ARG 57 9.709 14.913 2.522 435 HB2 ARG 57 HB3 ARG 57 8.983 16.964 3.727 436 HB3 ARG 57 HB2 ARG 57 8.335 17.623 2.231 437 HG2 ARG 57 HG3 ARG 57 6.715 15.669 2.179 438 HG3 ARG 57 HG2 ARG 57 7.297 15.229 3.788 439 HD2 ARG 57 HD3 ARG 57 5.909 17.819 2.996 440 HD3 ARG 57 HD2 ARG 57 5.237 16.521 3.991 441 HE ARG 57 HE ARG 57 7.504 17.297 5.302 442 HH11 ARG 57 HH11 ARG 57 4.624 18.963 4.362 443 HH12 ARG 57 HH12 ARG 57 4.756 20.104 5.647 444 HH21 ARG 57 HH21 ARG 57 7.622 18.756 6.934 445 HH22 ARG 57 HH22 ARG 57 6.432 19.999 7.070 446 H LYS 58 H LYS 58 9.246 17.289 -0.107 447 HA LYS 58 HA LYS 58 7.385 16.081 -1.759 448 HB2 LYS 58 HB3 LYS 58 9.682 17.959 -2.180 449 HB3 LYS 58 HB2 LYS 58 9.101 17.166 -3.635 450 HG2 LYS 58 HG3 LYS 58 7.348 18.776 -1.746 451 HG3 LYS 58 HG2 LYS 58 8.072 19.400 -3.237 452 HD2 LYS 58 HD3 LYS 58 6.854 17.675 -4.538 453 HD3 LYS 58 HD2 LYS 58 6.124 17.068 -3.051 454 HE2 LYS 58 HE3 LYS 58 4.946 19.206 -2.747 455 HE3 LYS 58 HE2 LYS 58 5.703 19.842 -4.214 456 HZ1 LYS 58 HZ1 LYS 58 3.482 19.035 -4.657 457 HZ2 LYS 58 HZ2 LYS 58 3.882 17.498 -4.079 458 HZ3 LYS 58 HZ3 LYS 58 4.617 18.091 -5.479 459 H ARG 59 H ARG 59 10.874 15.473 -1.705 460 HA ARG 59 HA ARG 59 10.921 13.425 -3.703 461 HB2 ARG 59 HB3 ARG 59 12.883 14.831 -3.051 462 HB3 ARG 59 HB2 ARG 59 12.914 14.047 -1.477 463 HG2 ARG 59 HG3 ARG 59 13.558 11.923 -2.496 464 HG3 ARG 59 HG2 ARG 59 13.356 12.599 -4.116 465 HD2 ARG 59 HD3 ARG 59 15.176 14.248 -3.600 466 HD3 ARG 59 HD2 ARG 59 15.413 13.442 -2.045 467 HE ARG 59 HE ARG 59 15.673 11.455 -3.934 468 HH11 ARG 59 HH11 ARG 59 17.316 14.447 -3.333 469 HH12 ARG 59 HH12 ARG 59 18.799 13.871 -3.999 470 HH21 ARG 59 HH21 ARG 59 17.586 10.762 -4.745 471 HH22 ARG 59 HH22 ARG 59 18.949 11.822 -4.782 472 H LYS 60 H LYS 60 10.723 13.420 -0.147 473 HA LYS 60 HA LYS 60 11.237 10.635 0.212 474 HB2 LYS 60 HB3 LYS 60 10.196 12.742 2.135 475 HB3 LYS 60 HB2 LYS 60 10.557 11.087 2.621 476 HG2 LYS 60 HG3 LYS 60 12.525 13.126 1.531 477 HG3 LYS 60 HG2 LYS 60 12.421 12.537 3.194 478 HD2 LYS 60 HD3 LYS 60 13.033 10.244 2.394 479 HD3 LYS 60 HD2 LYS 60 13.170 10.869 0.747 480 HE2 LYS 60 HE3 LYS 60 15.379 10.665 1.758 481 HE3 LYS 60 HE2 LYS 60 15.004 12.368 1.489 482 HZ1 LYS 60 HZ1 LYS 60 15.979 12.050 3.642 483 HZ2 LYS 60 HZ2 LYS 60 14.798 10.920 4.059 484 HZ3 LYS 60 HZ3 LYS 60 14.373 12.535 3.817 485 H VAL 61 H VAL 61 8.176 12.411 -0.137 486 HA VAL 61 HA VAL 61 6.486 10.236 0.670 487 HB VAL 61 HB VAL 61 5.734 12.453 -1.292 488 HG11 VAL 61 HG11 VAL 61 4.146 10.565 -1.347 489 HG12 VAL 61 HG12 VAL 61 3.387 11.977 -0.609 490 HG13 VAL 61 HG13 VAL 61 3.956 10.649 0.408 491 HG21 VAL 61 HG21 VAL 61 4.780 13.677 0.617 492 HG22 VAL 61 HG22 VAL 61 6.515 13.438 0.819 493 HG23 VAL 61 HG23 VAL 61 5.381 12.436 1.719 494 H GLY 62 H GLY 62 7.735 11.355 -2.493 495 HA2 GLY 62 HA3 GLY 62 6.647 9.321 -4.139 496 HA3 GLY 62 HA2 GLY 62 8.076 10.273 -4.497 497 H VAL 63 H VAL 63 9.686 9.433 -2.294 498 HA VAL 63 HA VAL 63 10.748 6.918 -3.060 499 HB VAL 63 HB VAL 63 11.127 8.515 -0.482 500 HG11 VAL 63 HG11 VAL 63 12.722 6.094 -1.421 501 HG12 VAL 63 HG12 VAL 63 11.662 6.162 -0.012 502 HG13 VAL 63 HG13 VAL 63 13.137 7.124 -0.046 503 HG21 VAL 63 HG21 VAL 63 12.933 8.258 -2.925 504 HG22 VAL 63 HG22 VAL 63 13.296 9.186 -1.467 505 HG23 VAL 63 HG23 VAL 63 11.954 9.666 -2.506 506 H LEU 64 H LEU 64 8.595 7.883 -0.374 507 HA LEU 64 HA LEU 64 8.270 5.446 0.943 508 HB2 LEU 64 HB3 LEU 64 7.447 7.618 1.813 509 HB3 LEU 64 HB2 LEU 64 6.212 7.654 0.568 510 HG LEU 64 HG LEU 64 5.221 5.544 1.590 511 HD11 LEU 64 HD11 LEU 64 7.179 4.699 2.769 512 HD12 LEU 64 HD12 LEU 64 5.843 4.939 3.890 513 HD13 LEU 64 HD13 LEU 64 7.171 6.100 3.846 514 HD21 LEU 64 HD21 LEU 64 5.303 7.979 3.404 515 HD22 LEU 64 HD22 LEU 64 4.092 6.696 3.443 516 HD23 LEU 64 HD23 LEU 64 4.219 7.741 2.031 517 H LEU 65 H LEU 65 6.478 6.724 -1.851 518 HA LEU 65 HA LEU 65 4.527 4.735 -2.171 519 HB2 LEU 65 HB3 LEU 65 5.894 6.313 -4.391 520 HB3 LEU 65 HB2 LEU 65 4.346 5.489 -4.514 521 HG LEU 65 HG LEU 65 4.948 7.963 -2.842 522 HD11 LEU 65 HD11 LEU 65 3.216 7.640 -5.310 523 HD12 LEU 65 HD12 LEU 65 4.777 8.459 -5.221 524 HD13 LEU 65 HD13 LEU 65 3.391 9.119 -4.357 525 HD21 LEU 65 HD21 LEU 65 3.346 6.561 -1.643 526 HD22 LEU 65 HD22 LEU 65 2.320 6.467 -3.076 527 HD23 LEU 65 HD23 LEU 65 2.563 8.013 -2.260 528 H ASP 66 H ASP 66 7.853 4.899 -3.461 529 HA ASP 66 HA ASP 66 7.828 2.500 -4.998 530 HB2 ASP 66 HB3 ASP 66 9.506 4.285 -5.358 531 HB3 ASP 66 HB2 ASP 66 10.183 3.998 -3.761 532 H ILE 67 H ILE 67 8.903 3.164 -1.663 533 HA ILE 67 HA ILE 67 9.895 0.639 -0.911 534 HB ILE 67 HB ILE 67 8.427 2.675 0.839 535 HG12 ILE 67 HG12 ILE 67 11.449 2.432 0.464 536 HG13 ILE 67 HG11 ILE 67 10.460 3.544 -0.471 537 HG21 ILE 67 HG21 ILE 67 10.348 0.463 1.682 538 HG22 ILE 67 HG22 ILE 67 8.611 0.512 1.997 539 HG23 ILE 67 HG23 ILE 67 9.679 1.695 2.753 540 HD11 ILE 67 HD11 ILE 67 9.831 4.726 1.565 541 HD12 ILE 67 HD12 ILE 67 11.583 4.650 1.380 542 HD13 ILE 67 HD13 ILE 67 10.775 3.587 2.526 543 H LEU 68 H LEU 68 6.631 2.009 -0.582 544 HA LEU 68 HA LEU 68 5.408 -0.373 0.440 545 HB2 LEU 68 HB3 LEU 68 4.157 2.151 -0.689 546 HB3 LEU 68 HB2 LEU 68 3.283 0.887 0.169 547 HG LEU 68 HG LEU 68 5.434 2.696 1.354 548 HD11 LEU 68 HD11 LEU 68 3.613 3.652 2.693 549 HD12 LEU 68 HD12 LEU 68 2.443 2.634 1.848 550 HD13 LEU 68 HD13 LEU 68 3.337 3.876 0.967 551 HD21 LEU 68 HD21 LEU 68 3.816 0.524 2.741 552 HD22 LEU 68 HD22 LEU 68 4.920 1.657 3.526 553 HD23 LEU 68 HD23 LEU 68 5.545 0.467 2.388 554 H GLN 69 H GLN 69 6.017 0.821 -2.809 555 HA GLN 69 HA GLN 69 4.199 -0.877 -4.221 556 HB2 GLN 69 HB3 GLN 69 5.291 1.100 -5.266 557 HB3 GLN 69 HB2 GLN 69 6.851 0.288 -5.179 558 HG2 GLN 69 HG3 GLN 69 5.976 -1.483 -6.716 559 HG3 GLN 69 HG2 GLN 69 4.462 -0.589 -6.845 560 HE21 GLN 69 HE21 GLN 69 6.311 -1.300 -8.961 561 HE22 GLN 69 HE22 GLN 69 6.812 0.179 -9.691 562 H ARG 70 H ARG 70 7.537 -1.338 -3.086 563 HA ARG 70 HA ARG 70 8.139 -3.828 -4.277 564 HB2 ARG 70 HB3 ARG 70 9.073 -2.638 -1.636 565 HB3 ARG 70 HB2 ARG 70 9.764 -4.099 -2.344 566 HG2 ARG 70 HG3 ARG 70 10.481 -2.799 -4.324 567 HG3 ARG 70 HG2 ARG 70 9.805 -1.332 -3.605 568 HD2 ARG 70 HD3 ARG 70 11.376 -1.474 -1.748 569 HD3 ARG 70 HD2 ARG 70 12.007 -3.011 -2.354 570 HE ARG 70 HE ARG 70 12.435 -1.360 -4.430 571 HH11 ARG 70 HH11 ARG 70 13.187 -0.946 -1.085 572 HH12 ARG 70 HH12 ARG 70 14.630 -0.070 -1.428 573 HH21 ARG 70 HH21 ARG 70 14.265 -0.234 -4.833 574 HH22 ARG 70 HH22 ARG 70 15.239 0.321 -3.516 575 H THR 71 H THR 71 6.599 -3.099 -1.158 576 HA THR 71 HA THR 71 5.777 -5.905 -0.758 577 HB THR 71 HB THR 71 6.629 -4.702 1.215 578 HG1 THR 71 HG1 THR 71 5.232 -5.788 2.346 579 HG21 THR 71 HG21 THR 71 6.007 -2.391 0.645 580 HG22 THR 71 HG22 THR 71 5.404 -2.825 2.246 581 HG23 THR 71 HG23 THR 71 4.301 -2.778 0.869 582 H GLY 72 H GLY 72 4.714 -4.233 -2.988 583 HA2 GLY 72 HA3 GLY 72 2.680 -2.574 -2.799 584 HA3 GLY 72 HA2 GLY 72 2.765 -3.746 -4.084 585 H HIS 73 H HIS 73 1.944 -6.107 -2.694 586 HA HIS 73 HA HIS 73 -0.872 -5.634 -2.848 587 HB2 HIS 73 HB2 HIS 73 0.493 -7.818 -3.432 588 HB3 HIS 73 HB1 HIS 73 0.226 -8.239 -1.744 589 HD1 HIS 73 HD1 HIS 73 -2.630 -7.629 -1.215 590 HD2 HIS 73 HD2 HIS 73 -1.390 -9.036 -4.916 591 HE1 HIS 73 HE1 HIS 73 -4.687 -8.534 -2.310 592 HE2 HIS 73 HE2 HIS 73 -3.951 -9.174 -4.616 593 H LYS 74 H LYS 74 1.338 -6.059 -0.128 594 HA LYS 74 HA LYS 74 -0.752 -5.684 1.873 595 HB2 LYS 74 HB3 LYS 74 2.285 -5.639 2.151 596 HB3 LYS 74 HB2 LYS 74 1.144 -5.612 3.492 597 HG2 LYS 74 HG3 LYS 74 1.548 -7.887 1.524 598 HG3 LYS 74 HG2 LYS 74 2.113 -7.841 3.196 599 HD2 LYS 74 HD3 LYS 74 -0.804 -7.850 2.290 600 HD3 LYS 74 HD2 LYS 74 0.076 -9.224 2.963 601 HE2 LYS 74 HE3 LYS 74 -0.609 -6.639 4.413 602 HE3 LYS 74 HE2 LYS 74 -1.345 -8.220 4.679 603 HZ1 LYS 74 HZ1 LYS 74 0.276 -7.772 6.367 604 HZ2 LYS 74 HZ2 LYS 74 1.483 -7.479 5.224 605 HZ3 LYS 74 HZ3 LYS 74 0.844 -9.033 5.397 606 H GLY 75 H GLY 75 1.920 -3.786 0.475 607 HA2 GLY 75 HA3 GLY 75 1.881 -1.557 2.165 608 HA3 GLY 75 HA2 GLY 75 2.590 -1.613 0.564 609 H TYR 76 H TYR 76 0.409 -1.917 -1.056 610 HA TYR 76 HA TYR 76 -0.656 0.692 -1.273 611 HB2 TYR 76 HB2 TYR 76 -0.285 -0.767 -3.232 612 HB3 TYR 76 HB1 TYR 76 -1.535 -1.872 -2.674 613 HD1 TYR 76 HD1 TYR 76 -3.751 -1.581 -3.482 614 HD2 TYR 76 HD2 TYR 76 -1.037 1.714 -3.688 615 HE1 TYR 76 HE1 TYR 76 -5.427 -0.280 -4.720 616 HE2 TYR 76 HE2 TYR 76 -2.715 3.007 -4.922 617 HH TYR 76 HH TYR 76 -5.963 2.082 -5.172 618 H VAL 77 H VAL 77 -2.124 -2.353 -0.124 619 HA VAL 77 HA VAL 77 -4.744 -1.409 0.356 620 HB VAL 77 HB VAL 77 -3.206 -3.662 1.728 621 HG11 VAL 77 HG11 VAL 77 -5.411 -4.553 2.449 622 HG12 VAL 77 HG12 VAL 77 -6.202 -3.107 1.819 623 HG13 VAL 77 HG13 VAL 77 -5.081 -2.979 3.175 624 HG21 VAL 77 HG21 VAL 77 -3.484 -3.975 -0.708 625 HG22 VAL 77 HG22 VAL 77 -5.227 -3.742 -0.554 626 HG23 VAL 77 HG23 VAL 77 -4.456 -5.146 0.188 627 H ALA 78 H ALA 78 -1.985 -1.736 2.627 628 HA ALA 78 HA ALA 78 -3.180 -0.503 4.881 629 HB1 ALA 78 HB1 ALA 78 -0.234 -0.687 4.172 630 HB2 ALA 78 HB2 ALA 78 -1.170 -1.912 5.030 631 HB3 ALA 78 HB3 ALA 78 -0.894 -0.336 5.774 632 H PHE 79 H PHE 79 -1.465 0.853 2.108 633 HA PHE 79 HA PHE 79 -1.081 3.495 3.100 634 HB2 PHE 79 HB2 PHE 79 0.128 2.482 1.107 635 HB3 PHE 79 HB1 PHE 79 -1.354 2.664 0.176 636 HD1 PHE 79 HD1 PHE 79 -1.358 4.551 -1.258 637 HD2 PHE 79 HD2 PHE 79 0.749 4.779 2.457 638 HE1 PHE 79 HE1 PHE 79 -0.661 6.857 -1.783 639 HE2 PHE 79 HE2 PHE 79 1.437 7.062 1.933 640 HZ PHE 79 HZ PHE 79 0.736 8.119 -0.187 641 H LEU 80 H LEU 80 -3.601 2.077 0.967 642 HA LEU 80 HA LEU 80 -5.276 4.316 0.740 643 HB2 LEU 80 HB3 LEU 80 -5.969 1.360 0.709 644 HB3 LEU 80 HB2 LEU 80 -7.142 2.622 0.362 645 HG LEU 80 HG LEU 80 -4.679 1.934 -1.287 646 HD11 LEU 80 HD11 LEU 80 -6.527 0.366 -1.570 647 HD12 LEU 80 HD12 LEU 80 -6.322 1.338 -3.025 648 HD13 LEU 80 HD13 LEU 80 -7.643 1.693 -1.908 649 HD21 LEU 80 HD21 LEU 80 -4.960 4.367 -1.328 650 HD22 LEU 80 HD22 LEU 80 -6.669 4.196 -1.737 651 HD23 LEU 80 HD23 LEU 80 -5.428 3.678 -2.882 652 H GLU 81 H GLU 81 -5.279 1.712 3.194 653 HA GLU 81 HA GLU 81 -7.515 2.647 4.674 654 HB2 GLU 81 HB3 GLU 81 -5.234 0.800 5.476 655 HB3 GLU 81 HB2 GLU 81 -6.654 1.100 6.479 656 HG2 GLU 81 HG3 GLU 81 -6.650 -0.163 3.713 657 HG3 GLU 81 HG2 GLU 81 -6.861 -1.011 5.244 658 H SER 82 H SER 82 -4.050 3.477 4.900 659 HA SER 82 HA SER 82 -4.290 5.009 7.318 660 HB2 SER 82 HB3 SER 82 -2.093 5.897 6.855 661 HB3 SER 82 HB2 SER 82 -2.079 4.210 6.353 662 HG SER 82 HG SER 82 -1.795 4.807 4.348 663 H LEU 83 H LEU 83 -4.371 5.904 3.852 664 HA LEU 83 HA LEU 83 -4.918 8.676 4.232 665 HB2 LEU 83 HB3 LEU 83 -5.695 7.010 1.811 666 HB3 LEU 83 HB2 LEU 83 -5.490 8.756 1.872 667 HG LEU 83 HG LEU 83 -3.334 6.626 1.977 668 HD11 LEU 83 HD11 LEU 83 -2.459 7.751 -0.014 669 HD12 LEU 83 HD12 LEU 83 -3.800 8.896 0.033 670 HD13 LEU 83 HD13 LEU 83 -4.110 7.180 -0.257 671 HD21 LEU 83 HD21 LEU 83 -1.654 8.403 2.261 672 HD22 LEU 83 HD22 LEU 83 -2.715 8.276 3.660 673 HD23 LEU 83 HD23 LEU 83 -2.942 9.588 2.501 674 H GLU 84 H GLU 84 -6.967 5.853 4.260 675 HA GLU 84 HA GLU 84 -9.494 6.986 3.732 676 HB2 GLU 84 HB3 GLU 84 -8.740 4.490 3.925 677 HB3 GLU 84 HB2 GLU 84 -9.044 4.659 5.646 678 HG2 GLU 84 HG3 GLU 84 -11.144 5.158 3.511 679 HG3 GLU 84 HG2 GLU 84 -10.875 3.583 4.244 680 H LEU 85 H LEU 85 -7.626 6.703 6.721 681 HA LEU 85 HA LEU 85 -9.698 7.944 8.372 682 HB2 LEU 85 HB3 LEU 85 -6.907 7.021 9.157 683 HB3 LEU 85 HB2 LEU 85 -8.216 7.447 10.254 684 HG LEU 85 HG LEU 85 -8.101 5.015 8.418 685 HD11 LEU 85 HD11 LEU 85 -8.094 5.168 11.449 686 HD12 LEU 85 HD12 LEU 85 -6.700 4.819 10.425 687 HD13 LEU 85 HD13 LEU 85 -8.055 3.695 10.473 688 HD21 LEU 85 HD21 LEU 85 -10.254 4.313 9.396 689 HD22 LEU 85 HD22 LEU 85 -10.413 5.813 8.491 690 HD23 LEU 85 HD23 LEU 85 -10.377 5.850 10.257 691 H TYR 86 H TYR 86 -6.289 8.644 7.460 692 HA TYR 86 HA TYR 86 -6.208 11.142 8.896 693 HB2 TYR 86 HB2 TYR 86 -4.211 9.823 7.018 694 HB3 TYR 86 HB1 TYR 86 -3.903 11.352 7.834 695 HD1 TYR 86 HD1 TYR 86 -3.851 11.392 10.396 696 HD2 TYR 86 HD2 TYR 86 -3.826 7.736 8.187 697 HE1 TYR 86 HE1 TYR 86 -2.965 10.207 12.356 698 HE2 TYR 86 HE2 TYR 86 -2.943 6.561 10.148 699 HH TYR 86 HH TYR 86 -1.691 7.058 12.189 700 H TYR 87 H TYR 87 -6.465 10.307 5.417 701 HA TYR 87 HA TYR 87 -6.941 13.183 4.746 702 HB2 TYR 87 HB2 TYR 87 -5.429 11.170 3.001 703 HB3 TYR 87 HB1 TYR 87 -5.714 12.862 2.621 704 HD1 TYR 87 HD1 TYR 87 -3.634 10.511 4.529 705 HD2 TYR 87 HD2 TYR 87 -4.437 14.648 3.811 706 HE1 TYR 87 HE1 TYR 87 -1.493 11.112 5.590 707 HE2 TYR 87 HE2 TYR 87 -2.304 15.237 4.869 708 HH TYR 87 HH TYR 87 -0.709 14.349 6.418 709 HA PRO 88 HA PRO 88 -10.351 9.952 3.508 710 HB2 PRO 88 HB3 PRO 88 -12.551 11.553 4.184 711 HB3 PRO 88 HB2 PRO 88 -11.768 10.396 5.270 712 HG2 PRO 88 HG3 PRO 88 -11.317 13.375 5.031 713 HG3 PRO 88 HG2 PRO 88 -11.524 12.389 6.498 714 HD2 PRO 88 HD3 PRO 88 -9.083 13.150 5.742 715 HD3 PRO 88 HD2 PRO 88 -9.335 11.499 6.352 716 H GLN 89 H GLN 89 -10.299 13.442 2.794 717 HA GLN 89 HA GLN 89 -12.026 13.388 0.533 718 HB2 GLN 89 HB3 GLN 89 -11.537 15.443 1.831 719 HB3 GLN 89 HB2 GLN 89 -9.870 15.411 1.268 720 HG2 GLN 89 HG3 GLN 89 -10.580 15.845 -1.016 721 HG3 GLN 89 HG2 GLN 89 -12.276 15.709 -0.557 722 HE21 GLN 89 HE21 GLN 89 -13.226 17.388 0.648 723 HE22 GLN 89 HE22 GLN 89 -12.514 18.957 0.747 724 H LEU 90 H LEU 90 -8.443 13.408 0.783 725 HA LEU 90 HA LEU 90 -8.016 13.255 -2.050 726 HB2 LEU 90 HB3 LEU 90 -6.341 14.201 -0.444 727 HB3 LEU 90 HB2 LEU 90 -6.049 12.581 0.167 728 HG LEU 90 HG LEU 90 -5.050 11.872 -1.935 729 HD11 LEU 90 HD11 LEU 90 -5.856 14.547 -3.105 730 HD12 LEU 90 HD12 LEU 90 -6.517 12.965 -3.532 731 HD13 LEU 90 HD13 LEU 90 -4.837 13.342 -3.895 732 HD21 LEU 90 HD21 LEU 90 -3.105 13.355 -2.097 733 HD22 LEU 90 HD22 LEU 90 -3.557 13.097 -0.414 734 HD23 LEU 90 HD23 LEU 90 -3.972 14.615 -1.214 735 H TYR 91 H TYR 91 -8.227 10.836 0.532 736 HA TYR 91 HA TYR 91 -7.637 8.488 -0.878 737 HB2 TYR 91 HB2 TYR 91 -8.008 8.378 1.512 738 HB3 TYR 91 HB1 TYR 91 -9.644 9.007 1.357 739 HD1 TYR 91 HD1 TYR 91 -11.495 7.489 1.053 740 HD2 TYR 91 HD2 TYR 91 -7.506 6.034 0.533 741 HE1 TYR 91 HE1 TYR 91 -12.353 5.192 0.897 742 HE2 TYR 91 HE2 TYR 91 -8.378 3.736 0.386 743 HH TYR 91 HH TYR 91 -10.374 2.463 1.115 744 H LYS 92 H LYS 92 -10.751 10.166 -0.492 745 HA LYS 92 HA LYS 92 -12.376 8.616 -2.150 746 HB2 LYS 92 HB3 LYS 92 -13.281 10.259 -0.609 747 HB3 LYS 92 HB2 LYS 92 -12.466 11.575 -1.446 748 HG2 LYS 92 HG3 LYS 92 -13.919 11.294 -3.383 749 HG3 LYS 92 HG2 LYS 92 -14.678 9.883 -2.640 750 HD2 LYS 92 HD3 LYS 92 -15.567 11.318 -0.825 751 HD3 LYS 92 HD2 LYS 92 -14.800 12.728 -1.561 752 HE2 LYS 92 HE3 LYS 92 -17.220 12.587 -2.092 753 HE3 LYS 92 HE2 LYS 92 -16.218 12.507 -3.540 754 HZ1 LYS 92 HZ1 LYS 92 -17.974 10.888 -3.634 755 HZ2 LYS 92 HZ2 LYS 92 -17.495 10.205 -2.169 756 HZ3 LYS 92 HZ3 LYS 92 -16.489 10.090 -3.523 757 H LYS 93 H LYS 93 -10.340 11.441 -2.985 758 HA LYS 93 HA LYS 93 -10.989 11.632 -5.731 759 HB2 LYS 93 HB3 LYS 93 -8.428 12.422 -4.289 760 HB3 LYS 93 HB2 LYS 93 -8.801 12.870 -5.952 761 HG2 LYS 93 HG3 LYS 93 -10.314 13.727 -3.461 762 HG3 LYS 93 HG2 LYS 93 -9.258 14.731 -4.459 763 HD2 LYS 93 HD3 LYS 93 -10.866 14.323 -6.391 764 HD3 LYS 93 HD2 LYS 93 -11.955 13.543 -5.239 765 HE2 LYS 93 HE3 LYS 93 -12.641 15.851 -5.601 766 HE3 LYS 93 HE2 LYS 93 -12.052 15.676 -3.947 767 HZ1 LYS 93 HZ1 LYS 93 -10.489 16.762 -6.225 768 HZ2 LYS 93 HZ2 LYS 93 -9.950 16.631 -4.630 769 HZ3 LYS 93 HZ3 LYS 93 -11.215 17.682 -5.010 770 H VAL 94 H VAL 94 -8.275 9.844 -4.175 771 HA VAL 94 HA VAL 94 -7.125 9.034 -6.682 772 HB VAL 94 HB VAL 94 -5.502 7.732 -5.377 773 HG11 VAL 94 HG11 VAL 94 -5.099 10.141 -5.654 774 HG12 VAL 94 HG12 VAL 94 -4.476 9.586 -4.102 775 HG13 VAL 94 HG13 VAL 94 -5.996 10.482 -4.170 776 HG21 VAL 94 HG21 VAL 94 -5.552 7.645 -2.902 777 HG22 VAL 94 HG22 VAL 94 -6.968 6.845 -3.588 778 HG23 VAL 94 HG23 VAL 94 -7.117 8.463 -2.896 779 H THR 95 H THR 95 -9.559 7.629 -4.627 780 HA THR 95 HA THR 95 -9.429 4.988 -5.928 781 HB THR 95 HB THR 95 -11.311 4.356 -4.417 782 HG1 THR 95 HG1 THR 95 -11.076 6.736 -2.958 783 HG21 THR 95 HG21 THR 95 -10.087 4.463 -2.277 784 HG22 THR 95 HG22 THR 95 -9.010 5.694 -2.938 785 HG23 THR 95 HG23 THR 95 -8.992 4.057 -3.602 786 H GLY 96 H GLY 96 -10.798 7.964 -6.666 787 HA2 GLY 96 HA3 GLY 96 -11.848 8.390 -8.728 788 HA3 GLY 96 HA2 GLY 96 -12.423 6.735 -8.790 789 H LYS 97 H LYS 97 -13.904 6.354 -6.593 790 HA LYS 97 HA LYS 97 -16.289 7.859 -7.168 791 HB2 LYS 97 HB3 LYS 97 -15.748 5.733 -5.058 792 HB3 LYS 97 HB2 LYS 97 -17.334 6.430 -5.362 793 HG2 LYS 97 HG3 LYS 97 -15.692 4.767 -7.306 794 HG3 LYS 97 HG2 LYS 97 -17.134 4.246 -6.430 795 HD2 LYS 97 HD3 LYS 97 -16.988 6.351 -8.629 796 HD3 LYS 97 HD2 LYS 97 -17.728 4.755 -8.735 797 HE2 LYS 97 HE3 LYS 97 -18.697 7.073 -7.023 798 HE3 LYS 97 HE2 LYS 97 -19.448 6.478 -8.502 799 HZ1 LYS 97 HZ1 LYS 97 -20.581 5.697 -6.519 800 HZ2 LYS 97 HZ2 LYS 97 -19.166 4.947 -5.980 801 HZ3 LYS 97 HZ3 LYS 97 -19.921 4.407 -7.387 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -11.328 -3.930 -15.601 2 H2 MET 1 HT2 MET 1 -12.260 -4.712 -14.430 3 H3 MET 1 HT3 MET 1 -11.805 -5.537 -15.838 4 HA MET 1 HA MET 1 -9.489 -5.399 -15.207 5 HB2 MET 1 HB2 MET 1 -10.606 -4.075 -12.702 6 HB3 MET 1 HB1 MET 1 -8.958 -4.685 -12.829 7 HG2 MET 1 HG2 MET 1 -10.160 -2.475 -14.517 8 HG3 MET 1 HG1 MET 1 -9.049 -2.263 -13.165 9 HE1 MET 1 HE1 MET 1 -5.738 -3.871 -14.595 10 HE2 MET 1 HE2 MET 1 -6.961 -4.663 -13.600 11 HE3 MET 1 HE3 MET 1 -6.455 -3.013 -13.232 12 H SER 2 H SER 2 -9.383 -7.591 -15.194 13 HA SER 2 HA SER 2 -10.805 -9.253 -13.284 14 HB2 SER 2 HB3 SER 2 -10.314 -10.116 -15.552 15 HB3 SER 2 HB2 SER 2 -8.582 -9.990 -15.241 16 HG SER 2 HG SER 2 -8.675 -11.836 -14.246 17 H ASP 3 H ASP 3 -10.173 -8.769 -11.226 18 HA ASP 3 HA ASP 3 -7.512 -8.048 -10.498 19 HB2 ASP 3 HB3 ASP 3 -9.876 -8.691 -8.694 20 HB3 ASP 3 HB2 ASP 3 -8.406 -7.844 -8.215 21 H TYR 4 H TYR 4 -6.336 -9.887 -11.208 22 HA TYR 4 HA TYR 4 -6.144 -12.015 -9.151 23 HB2 TYR 4 HB2 TYR 4 -5.543 -12.089 -12.129 24 HB3 TYR 4 HB1 TYR 4 -4.747 -13.214 -11.032 25 HD1 TYR 4 HD1 TYR 4 -8.097 -12.160 -12.326 26 HD2 TYR 4 HD2 TYR 4 -5.904 -15.133 -10.180 27 HE1 TYR 4 HE1 TYR 4 -10.045 -13.665 -12.403 28 HE2 TYR 4 HE2 TYR 4 -7.844 -16.632 -10.261 29 HH TYR 4 HH TYR 4 -10.260 -16.483 -10.485 30 H GLU 5 H GLU 5 -5.051 -10.434 -7.880 31 HA GLU 5 HA GLU 5 -3.214 -9.792 -6.754 32 HB2 GLU 5 HB3 GLU 5 -2.571 -12.217 -7.503 33 HB3 GLU 5 HB2 GLU 5 -1.470 -11.430 -8.625 34 HG2 GLU 5 HG3 GLU 5 -0.418 -10.282 -6.647 35 HG3 GLU 5 HG2 GLU 5 -1.433 -11.268 -5.599 36 H ASN 6 H ASN 6 -3.967 -8.394 -9.464 37 HA ASN 6 HA ASN 6 -1.487 -7.117 -10.296 38 HB2 ASN 6 HB3 ASN 6 -3.046 -5.740 -11.806 39 HB3 ASN 6 HB2 ASN 6 -2.993 -7.474 -12.093 40 HD21 ASN 6 HD21 ASN 6 -4.964 -4.829 -10.911 41 HD22 ASN 6 HD22 ASN 6 -6.453 -5.703 -10.897 42 H ASP 7 H ASP 7 -1.061 -6.404 -8.047 43 HA ASP 7 HA ASP 7 -2.523 -4.135 -6.976 44 HB2 ASP 7 HB3 ASP 7 -1.550 -5.904 -5.501 45 HB3 ASP 7 HB2 ASP 7 0.065 -5.455 -6.039 46 H ASP 8 H ASP 8 0.632 -4.743 -8.476 47 HA ASP 8 HA ASP 8 1.822 -2.208 -8.270 48 HB2 ASP 8 HB3 ASP 8 2.911 -4.435 -8.938 49 HB3 ASP 8 HB2 ASP 8 2.246 -4.196 -10.547 50 H GLU 9 H GLU 9 -0.414 -3.528 -10.640 51 HA GLU 9 HA GLU 9 -0.570 -1.471 -12.541 52 HB2 GLU 9 HB3 GLU 9 -1.651 -3.718 -12.773 53 HB3 GLU 9 HB2 GLU 9 -2.801 -3.283 -11.517 54 HG2 GLU 9 HG3 GLU 9 -3.960 -3.015 -13.560 55 HG3 GLU 9 HG2 GLU 9 -3.576 -1.387 -13.017 56 H CYS 10 H CYS 10 -2.243 -1.883 -9.429 57 HA CYS 10 HA CYS 10 -3.977 0.354 -9.574 58 HB2 CYS 10 HB3 CYS 10 -2.916 -1.049 -7.098 59 HB3 CYS 10 HB2 CYS 10 -4.349 -0.025 -7.184 60 HG CYS 10 HG CYS 10 -4.174 -3.222 -7.531 61 H TRP 11 H TRP 11 -0.674 0.015 -8.238 62 HA TRP 11 HA TRP 11 -0.303 2.633 -7.239 63 HB2 TRP 11 HB2 TRP 11 1.672 0.646 -8.425 64 HB3 TRP 11 HB1 TRP 11 2.189 2.205 -7.792 65 HD1 TRP 11 HD1 TRP 11 1.200 -1.275 -6.663 66 HE1 TRP 11 HE1 TRP 11 1.475 -1.448 -4.123 67 HE3 TRP 11 HE3 TRP 11 1.960 3.676 -5.584 68 HZ2 TRP 11 HZ2 TRP 11 1.955 0.279 -1.931 69 HZ3 TRP 11 HZ3 TRP 11 2.307 4.335 -3.235 70 HH2 TRP 11 HH2 TRP 11 2.306 2.667 -1.445 71 H SER 12 H SER 12 0.151 1.319 -10.512 72 HA SER 12 HA SER 12 1.127 3.637 -11.794 73 HB2 SER 12 HB3 SER 12 1.285 1.453 -12.869 74 HB3 SER 12 HB2 SER 12 -0.471 1.310 -12.929 75 HG SER 12 HG SER 12 -0.528 2.584 -14.622 76 H VAL 13 H VAL 13 -2.177 2.680 -10.980 77 HA VAL 13 HA VAL 13 -3.550 4.645 -12.548 78 HB VAL 13 HB VAL 13 -4.552 3.340 -9.974 79 HG11 VAL 13 HG11 VAL 13 -6.814 3.791 -10.863 80 HG12 VAL 13 HG12 VAL 13 -6.113 4.583 -12.274 81 HG13 VAL 13 HG13 VAL 13 -5.899 5.288 -10.672 82 HG21 VAL 13 HG21 VAL 13 -4.873 2.331 -12.826 83 HG22 VAL 13 HG22 VAL 13 -5.640 1.637 -11.396 84 HG23 VAL 13 HG23 VAL 13 -3.887 1.589 -11.567 85 H LEU 14 H LEU 14 -2.583 4.557 -9.074 86 HA LEU 14 HA LEU 14 -3.449 7.216 -8.460 87 HB2 LEU 14 HB3 LEU 14 -1.488 5.421 -6.995 88 HB3 LEU 14 HB2 LEU 14 -2.058 6.962 -6.372 89 HG LEU 14 HG LEU 14 -3.665 4.411 -6.759 90 HD11 LEU 14 HD11 LEU 14 -2.323 4.514 -4.720 91 HD12 LEU 14 HD12 LEU 14 -4.042 4.582 -4.346 92 HD13 LEU 14 HD13 LEU 14 -3.067 6.054 -4.278 93 HD21 LEU 14 HD21 LEU 14 -5.098 6.243 -7.506 94 HD22 LEU 14 HD22 LEU 14 -4.765 7.149 -6.028 95 HD23 LEU 14 HD23 LEU 14 -5.655 5.626 -5.953 96 H GLU 15 H GLU 15 -0.561 6.039 -9.994 97 HA GLU 15 HA GLU 15 1.267 8.094 -9.377 98 HB2 GLU 15 HB3 GLU 15 1.876 5.932 -10.474 99 HB3 GLU 15 HB2 GLU 15 1.122 6.493 -11.962 100 HG2 GLU 15 HG3 GLU 15 2.773 8.385 -12.024 101 HG3 GLU 15 HG2 GLU 15 3.549 7.710 -10.594 102 H GLY 16 H GLY 16 -1.415 8.061 -11.654 103 HA2 GLY 16 HA3 GLY 16 -0.902 10.365 -13.172 104 HA3 GLY 16 HA2 GLY 16 -2.500 9.775 -12.736 105 H PHE 17 H PHE 17 -1.808 10.062 -9.826 106 HA PHE 17 HA PHE 17 -2.151 12.989 -9.473 107 HB2 PHE 17 HB2 PHE 17 -2.941 10.658 -7.648 108 HB3 PHE 17 HB1 PHE 17 -3.193 12.355 -7.272 109 HD1 PHE 17 HD1 PHE 17 -4.229 9.612 -9.567 110 HD2 PHE 17 HD2 PHE 17 -5.106 13.536 -8.100 111 HE1 PHE 17 HE1 PHE 17 -6.441 9.525 -10.639 112 HE2 PHE 17 HE2 PHE 17 -7.311 13.436 -9.176 113 HZ PHE 17 HZ PHE 17 -7.984 11.439 -10.447 114 H ARG 18 H ARG 18 0.456 11.209 -9.615 115 HA ARG 18 HA ARG 18 1.645 10.765 -7.154 116 HB2 ARG 18 HB3 ARG 18 2.590 9.966 -9.268 117 HB3 ARG 18 HB2 ARG 18 2.987 11.610 -9.746 118 HG2 ARG 18 HG3 ARG 18 4.641 11.763 -7.931 119 HG3 ARG 18 HG2 ARG 18 4.222 10.134 -7.392 120 HD2 ARG 18 HD3 ARG 18 6.295 10.156 -8.740 121 HD3 ARG 18 HD2 ARG 18 5.027 9.199 -9.513 122 HE ARG 18 HE ARG 18 5.297 11.979 -10.368 123 HH11 ARG 18 HH11 ARG 18 5.985 8.667 -11.115 124 HH12 ARG 18 HH12 ARG 18 6.320 9.010 -12.775 125 HH21 ARG 18 HH21 ARG 18 5.719 12.382 -12.494 126 HH22 ARG 18 HH22 ARG 18 6.182 11.088 -13.537 127 H VAL 19 H VAL 19 1.703 13.833 -8.980 128 HA VAL 19 HA VAL 19 3.420 15.337 -7.352 129 HB VAL 19 HB VAL 19 2.719 16.138 -9.550 130 HG11 VAL 19 HG11 VAL 19 -0.066 16.543 -8.399 131 HG12 VAL 19 HG12 VAL 19 0.395 15.341 -9.606 132 HG13 VAL 19 HG13 VAL 19 0.470 17.058 -10.004 133 HG21 VAL 19 HG21 VAL 19 2.298 18.515 -9.042 134 HG22 VAL 19 HG22 VAL 19 3.495 17.834 -7.938 135 HG23 VAL 19 HG23 VAL 19 1.837 18.087 -7.392 136 H THR 20 H THR 20 -0.092 14.837 -7.041 137 HA THR 20 HA THR 20 -0.460 16.542 -4.756 138 HB THR 20 HB THR 20 -2.298 14.318 -5.756 139 HG1 THR 20 HG1 THR 20 -3.273 15.979 -6.997 140 HG21 THR 20 HG21 THR 20 -2.938 16.838 -4.172 141 HG22 THR 20 HG22 THR 20 -2.942 15.195 -3.526 142 HG23 THR 20 HG23 THR 20 -4.115 15.660 -4.760 143 H LEU 21 H LEU 21 0.044 13.044 -5.238 144 HA LEU 21 HA LEU 21 -0.384 12.117 -2.601 145 HB2 LEU 21 HB3 LEU 21 1.551 10.969 -4.647 146 HB3 LEU 21 HB2 LEU 21 0.923 10.126 -3.241 147 HG LEU 21 HG LEU 21 -0.626 10.938 -5.729 148 HD11 LEU 21 HD11 LEU 21 0.807 8.992 -6.041 149 HD12 LEU 21 HD12 LEU 21 -0.890 8.527 -6.080 150 HD13 LEU 21 HD13 LEU 21 0.081 8.198 -4.641 151 HD21 LEU 21 HD21 LEU 21 -2.095 11.215 -3.788 152 HD22 LEU 21 HD22 LEU 21 -1.721 9.579 -3.243 153 HD23 LEU 21 HD23 LEU 21 -2.593 9.831 -4.757 154 H THR 22 H THR 22 2.576 13.260 -4.219 155 HA THR 22 HA THR 22 4.339 12.787 -2.008 156 HB THR 22 HB THR 22 5.981 14.181 -3.297 157 HG1 THR 22 HG1 THR 22 5.008 14.590 -5.580 158 HG21 THR 22 HG21 THR 22 4.540 12.093 -4.977 159 HG22 THR 22 HG22 THR 22 5.801 11.763 -3.788 160 HG23 THR 22 HG23 THR 22 6.185 12.679 -5.245 161 H SER 23 H SER 23 2.574 15.631 -3.180 162 HA SER 23 HA SER 23 3.884 17.543 -1.503 163 HB2 SER 23 HB3 SER 23 1.261 17.732 -3.033 164 HB3 SER 23 HB2 SER 23 2.037 19.094 -2.222 165 HG SER 23 HG SER 23 3.200 17.530 -4.298 166 H VAL 24 H VAL 24 0.734 15.826 -1.200 167 HA VAL 24 HA VAL 24 0.168 17.292 1.304 168 HB VAL 24 HB VAL 24 -1.770 15.497 -0.203 169 HG11 VAL 24 HG11 VAL 24 -2.237 17.685 1.864 170 HG12 VAL 24 HG12 VAL 24 -2.404 15.950 2.137 171 HG13 VAL 24 HG13 VAL 24 -3.506 16.777 1.035 172 HG21 VAL 24 HG21 VAL 24 -2.713 17.540 -1.242 173 HG22 VAL 24 HG22 VAL 24 -1.035 17.287 -1.733 174 HG23 VAL 24 HG23 VAL 24 -1.421 18.503 -0.515 175 H ILE 25 H ILE 25 0.466 13.922 0.111 176 HA ILE 25 HA ILE 25 -0.053 12.799 2.769 177 HB ILE 25 HB ILE 25 0.876 11.325 0.265 178 HG12 ILE 25 HG12 ILE 25 -1.981 11.586 1.290 179 HG13 ILE 25 HG11 ILE 25 -1.319 12.562 -0.017 180 HG21 ILE 25 HG21 ILE 25 0.010 9.294 1.397 181 HG22 ILE 25 HG22 ILE 25 -0.371 10.256 2.825 182 HG23 ILE 25 HG23 ILE 25 1.308 10.053 2.324 183 HD11 ILE 25 HD11 ILE 25 -1.599 9.563 -0.038 184 HD12 ILE 25 HD12 ILE 25 -0.973 10.563 -1.352 185 HD13 ILE 25 HD13 ILE 25 -2.653 10.722 -0.845 186 H ASP 26 H ASP 26 1.488 12.222 4.203 187 HA ASP 26 HA ASP 26 4.349 12.264 3.423 188 HB2 ASP 26 HB3 ASP 26 3.442 13.021 6.222 189 HB3 ASP 26 HB2 ASP 26 4.923 13.470 5.383 190 HA PRO 27 HA PRO 27 4.360 8.086 5.357 191 HB2 PRO 27 HB3 PRO 27 7.293 8.389 5.739 192 HB3 PRO 27 HB2 PRO 27 6.421 7.244 4.715 193 HG2 PRO 27 HG3 PRO 27 7.874 9.311 3.700 194 HG3 PRO 27 HG2 PRO 27 6.438 8.667 2.885 195 HD2 PRO 27 HD3 PRO 27 6.720 11.144 4.571 196 HD3 PRO 27 HD2 PRO 27 5.803 10.903 3.070 197 H SER 28 H SER 28 6.271 10.752 6.698 198 HA SER 28 HA SER 28 6.367 9.961 9.396 199 HB2 SER 28 HB3 SER 28 7.879 11.651 8.443 200 HB3 SER 28 HB2 SER 28 6.528 12.761 8.215 201 HG SER 28 HG SER 28 6.989 11.712 10.777 202 H ARG 29 H ARG 29 3.769 11.445 7.576 203 HA ARG 29 HA ARG 29 2.152 12.365 9.759 204 HB2 ARG 29 HB3 ARG 29 1.835 12.986 7.310 205 HB3 ARG 29 HB2 ARG 29 1.204 11.369 7.031 206 HG2 ARG 29 HG3 ARG 29 -0.707 12.744 7.241 207 HG3 ARG 29 HG2 ARG 29 -0.584 11.918 8.798 208 HD2 ARG 29 HD3 ARG 29 -1.110 14.320 9.073 209 HD3 ARG 29 HD2 ARG 29 0.459 13.923 9.791 210 HE ARG 29 HE ARG 29 0.814 14.760 7.114 211 HH11 ARG 29 HH11 ARG 29 0.045 16.180 10.180 212 HH12 ARG 29 HH12 ARG 29 0.699 17.709 9.720 213 HH21 ARG 29 HH21 ARG 29 1.643 16.670 6.588 214 HH22 ARG 29 HH22 ARG 29 1.590 17.988 7.712 215 H ILE 30 H ILE 30 2.141 9.410 7.796 216 HA ILE 30 HA ILE 30 0.244 8.056 9.611 217 HB ILE 30 HB ILE 30 0.132 6.327 7.728 218 HG12 ILE 30 HG12 ILE 30 1.745 8.437 6.217 219 HG13 ILE 30 HG11 ILE 30 2.297 6.821 6.627 220 HG21 ILE 30 HG21 ILE 30 -1.614 8.014 7.999 221 HG22 ILE 30 HG22 ILE 30 -1.330 7.702 6.286 222 HG23 ILE 30 HG23 ILE 30 -0.688 9.169 7.033 223 HD11 ILE 30 HD11 ILE 30 1.701 6.966 4.298 224 HD12 ILE 30 HD12 ILE 30 0.078 7.517 4.709 225 HD13 ILE 30 HD13 ILE 30 0.589 5.880 5.131 226 H THR 31 H THR 31 3.168 8.466 10.263 227 HA THR 31 HA THR 31 4.714 6.201 10.113 228 HB THR 31 HB THR 31 5.455 6.919 12.633 229 HG1 THR 31 HG1 THR 31 4.933 8.934 13.151 230 HG21 THR 31 HG21 THR 31 6.089 8.529 10.159 231 HG22 THR 31 HG22 THR 31 6.921 7.073 10.695 232 HG23 THR 31 HG23 THR 31 7.019 8.550 11.658 233 HA PRO 32 HA PRO 32 2.860 4.262 14.217 234 HB2 PRO 32 HB3 PRO 32 0.229 4.880 14.857 235 HB3 PRO 32 HB2 PRO 32 1.632 5.698 15.558 236 HG2 PRO 32 HG3 PRO 32 -0.103 6.566 13.252 237 HG3 PRO 32 HG2 PRO 32 0.503 7.526 14.619 238 HD2 PRO 32 HD3 PRO 32 1.691 7.655 12.212 239 HD3 PRO 32 HD2 PRO 32 2.654 7.709 13.705 240 H TYR 33 H TYR 33 0.670 5.018 11.531 241 HA TYR 33 HA TYR 33 -0.764 2.563 11.538 242 HB2 TYR 33 HB2 TYR 33 -1.431 4.838 10.430 243 HB3 TYR 33 HB1 TYR 33 -0.446 4.313 9.068 244 HD1 TYR 33 HD1 TYR 33 -1.062 2.036 7.949 245 HD2 TYR 33 HD2 TYR 33 -3.656 4.062 10.670 246 HE1 TYR 33 HE1 TYR 33 -2.947 0.664 7.171 247 HE2 TYR 33 HE2 TYR 33 -5.536 2.689 9.891 248 HH TYR 33 HH TYR 33 -5.100 -0.091 7.941 249 H LEU 34 H LEU 34 1.963 3.747 9.514 250 HA LEU 34 HA LEU 34 2.184 1.455 7.867 251 HB2 LEU 34 HB3 LEU 34 4.258 3.570 8.528 252 HB3 LEU 34 HB2 LEU 34 4.459 2.358 7.272 253 HG LEU 34 HG LEU 34 2.367 4.575 7.298 254 HD11 LEU 34 HD11 LEU 34 4.832 4.240 5.558 255 HD12 LEU 34 HD12 LEU 34 4.618 5.417 6.857 256 HD13 LEU 34 HD13 LEU 34 3.619 5.517 5.411 257 HD21 LEU 34 HD21 LEU 34 2.865 2.453 5.176 258 HD22 LEU 34 HD22 LEU 34 1.791 3.846 5.002 259 HD23 LEU 34 HD23 LEU 34 1.432 2.602 6.200 260 H ARG 35 H ARG 35 4.058 2.383 10.829 261 HA ARG 35 HA ARG 35 5.554 -0.058 10.821 262 HB2 ARG 35 HB3 ARG 35 6.328 0.542 13.110 263 HB3 ARG 35 HB2 ARG 35 6.589 1.782 11.902 264 HG2 ARG 35 HG3 ARG 35 5.967 2.955 13.828 265 HG3 ARG 35 HG2 ARG 35 4.514 2.945 12.844 266 HD2 ARG 35 HD3 ARG 35 4.065 2.567 15.256 267 HD3 ARG 35 HD2 ARG 35 3.518 1.230 14.243 268 HE ARG 35 HE ARG 35 6.079 0.584 15.118 269 HH11 ARG 35 HH11 ARG 35 2.974 1.073 16.556 270 HH12 ARG 35 HH12 ARG 35 3.320 0.041 17.894 271 HH21 ARG 35 HH21 ARG 35 6.472 -0.753 16.827 272 HH22 ARG 35 HH22 ARG 35 5.271 -0.965 18.052 273 H GLN 36 H GLN 36 2.485 0.799 12.505 274 HA GLN 36 HA GLN 36 2.270 -1.576 14.065 275 HB2 GLN 36 HB3 GLN 36 0.838 0.372 14.488 276 HB3 GLN 36 HB2 GLN 36 0.062 0.184 12.923 277 HG2 GLN 36 HG3 GLN 36 -0.947 -1.935 13.656 278 HG3 GLN 36 HG2 GLN 36 -0.126 -1.805 15.211 279 HE21 GLN 36 HE21 GLN 36 -3.009 -1.915 14.519 280 HE22 GLN 36 HE22 GLN 36 -3.710 -0.529 15.269 281 H CYS 37 H CYS 37 1.353 -0.888 10.728 282 HA CYS 37 HA CYS 37 0.274 -3.517 10.176 283 HB2 CYS 37 HB3 CYS 37 1.042 -1.230 8.320 284 HB3 CYS 37 HB2 CYS 37 0.204 -2.696 7.810 285 HG CYS 37 HG CYS 37 -1.018 -0.294 9.925 286 H LYS 38 H LYS 38 3.443 -2.313 10.508 287 HA LYS 38 HA LYS 38 5.535 -2.875 9.875 288 HB2 LYS 38 HB3 LYS 38 4.228 -5.613 9.790 289 HB3 LYS 38 HB2 LYS 38 5.958 -5.409 9.545 290 HG2 LYS 38 HG3 LYS 38 4.398 -4.683 12.049 291 HG3 LYS 38 HG2 LYS 38 5.466 -6.074 11.845 292 HD2 LYS 38 HD3 LYS 38 6.304 -3.146 11.794 293 HD3 LYS 38 HD2 LYS 38 6.566 -4.279 13.120 294 HE2 LYS 38 HE3 LYS 38 7.779 -4.537 10.342 295 HE3 LYS 38 HE2 LYS 38 8.611 -3.904 11.759 296 HZ1 LYS 38 HZ1 LYS 38 9.191 -6.199 11.386 297 HZ2 LYS 38 HZ2 LYS 38 7.570 -6.671 11.449 298 HZ3 LYS 38 HZ3 LYS 38 8.326 -6.061 12.833 299 H VAL 39 H VAL 39 3.560 -2.219 7.624 300 HA VAL 39 HA VAL 39 4.352 -3.766 5.342 301 HB VAL 39 HB VAL 39 3.081 -2.096 3.986 302 HG11 VAL 39 HG11 VAL 39 1.593 -3.106 6.441 303 HG12 VAL 39 HG12 VAL 39 1.922 -4.030 4.975 304 HG13 VAL 39 HG13 VAL 39 0.854 -2.629 4.909 305 HG21 VAL 39 HG21 VAL 39 1.811 -0.278 5.109 306 HG22 VAL 39 HG22 VAL 39 3.552 -0.046 5.280 307 HG23 VAL 39 HG23 VAL 39 2.610 -0.665 6.637 308 H LEU 40 H LEU 40 5.513 -0.785 6.789 309 HA LEU 40 HA LEU 40 7.436 -0.385 4.568 310 HB2 LEU 40 HB3 LEU 40 5.987 1.553 5.177 311 HB3 LEU 40 HB2 LEU 40 6.622 1.509 6.814 312 HG LEU 40 HG LEU 40 8.874 2.113 5.976 313 HD11 LEU 40 HD11 LEU 40 7.601 2.255 3.226 314 HD12 LEU 40 HD12 LEU 40 8.769 1.047 3.772 315 HD13 LEU 40 HD13 LEU 40 9.249 2.734 3.643 316 HD21 LEU 40 HD21 LEU 40 7.319 3.905 6.646 317 HD22 LEU 40 HD22 LEU 40 6.736 4.025 4.982 318 HD23 LEU 40 HD23 LEU 40 8.411 4.433 5.363 319 H ASN 41 H ASN 41 9.691 -0.081 5.054 320 HA ASN 41 HA ASN 41 10.744 -1.452 7.367 321 HB2 ASN 41 HB3 ASN 41 12.208 0.160 5.242 322 HB3 ASN 41 HB2 ASN 41 12.973 -0.873 6.442 323 HD21 ASN 41 HD21 ASN 41 13.956 -2.067 4.764 324 HD22 ASN 41 HD22 ASN 41 13.062 -3.208 3.827 325 HA PRO 42 HA PRO 42 10.962 2.160 10.141 326 HB2 PRO 42 HB3 PRO 42 13.252 0.603 11.329 327 HB3 PRO 42 HB2 PRO 42 11.839 1.307 12.129 328 HG2 PRO 42 HG3 PRO 42 11.982 -1.326 11.729 329 HG3 PRO 42 HG2 PRO 42 10.438 -0.473 11.505 330 HD2 PRO 42 HD3 PRO 42 12.390 -1.447 9.414 331 HD3 PRO 42 HD2 PRO 42 10.613 -1.505 9.410 332 H ASP 43 H ASP 43 13.726 0.771 8.477 333 HA ASP 43 HA ASP 43 15.642 2.828 8.823 334 HB2 ASP 43 HB3 ASP 43 15.391 0.819 6.543 335 HB3 ASP 43 HB2 ASP 43 16.854 1.692 7.001 336 H ASP 44 H ASP 44 13.520 2.091 6.014 337 HA ASP 44 HA ASP 44 14.158 4.404 4.485 338 HB2 ASP 44 HB3 ASP 44 11.726 2.577 4.339 339 HB3 ASP 44 HB2 ASP 44 12.133 3.795 3.129 340 H GLU 45 H GLU 45 11.650 3.756 6.890 341 HA GLU 45 HA GLU 45 10.285 6.249 6.668 342 HB2 GLU 45 HB3 GLU 45 9.345 4.277 7.861 343 HB3 GLU 45 HB2 GLU 45 10.574 4.447 9.109 344 HG2 GLU 45 HG3 GLU 45 8.441 5.360 9.864 345 HG3 GLU 45 HG2 GLU 45 9.656 6.629 9.749 346 H GLU 46 H GLU 46 13.082 5.208 8.626 347 HA GLU 46 HA GLU 46 13.406 7.475 10.263 348 HB2 GLU 46 HB3 GLU 46 14.520 5.200 10.534 349 HB3 GLU 46 HB2 GLU 46 15.637 5.655 9.255 350 HG2 GLU 46 HG3 GLU 46 16.706 5.969 11.394 351 HG3 GLU 46 HG2 GLU 46 16.430 7.549 10.662 352 H GLN 47 H GLN 47 14.630 6.763 7.033 353 HA GLN 47 HA GLN 47 16.238 8.929 6.400 354 HB2 GLN 47 HB3 GLN 47 15.883 7.062 4.870 355 HB3 GLN 47 HB2 GLN 47 14.175 7.449 4.716 356 HG2 GLN 47 HG3 GLN 47 14.791 9.566 3.563 357 HG3 GLN 47 HG2 GLN 47 16.488 9.110 3.665 358 HE21 GLN 47 HE21 GLN 47 13.870 6.826 2.952 359 HE22 GLN 47 HE22 GLN 47 14.344 6.539 1.321 360 H VAL 48 H VAL 48 12.677 8.744 6.229 361 HA VAL 48 HA VAL 48 12.232 11.481 5.474 362 HB VAL 48 HB VAL 48 10.308 9.407 6.625 363 HG11 VAL 48 HG11 VAL 48 8.487 10.780 5.624 364 HG12 VAL 48 HG12 VAL 48 9.671 12.027 5.216 365 HG13 VAL 48 HG13 VAL 48 9.348 11.639 6.907 366 HG21 VAL 48 HG21 VAL 48 11.325 8.640 4.526 367 HG22 VAL 48 HG22 VAL 48 10.869 10.146 3.726 368 HG23 VAL 48 HG23 VAL 48 9.621 9.025 4.271 369 H LEU 49 H LEU 49 12.283 9.720 8.557 370 HA LEU 49 HA LEU 49 11.306 11.852 10.221 371 HB2 LEU 49 HB3 LEU 49 12.830 9.327 10.966 372 HB3 LEU 49 HB2 LEU 49 12.044 10.399 12.116 373 HG LEU 49 HG LEU 49 10.649 8.724 9.991 374 HD11 LEU 49 HD11 LEU 49 9.711 7.457 11.861 375 HD12 LEU 49 HD12 LEU 49 10.651 8.419 13.007 376 HD13 LEU 49 HD13 LEU 49 11.472 7.373 11.846 377 HD21 LEU 49 HD21 LEU 49 9.447 10.831 10.303 378 HD22 LEU 49 HD22 LEU 49 9.411 10.581 12.051 379 HD23 LEU 49 HD23 LEU 49 8.534 9.487 10.981 380 H SER 50 H SER 50 14.398 11.211 8.837 381 HA SER 50 HA SER 50 16.076 12.618 10.641 382 HB2 SER 50 HB3 SER 50 16.944 11.208 8.796 383 HB3 SER 50 HB2 SER 50 16.346 12.372 7.615 384 HG SER 50 HG SER 50 18.220 13.028 9.654 385 H ASP 51 H ASP 51 13.821 13.751 8.217 386 HA ASP 51 HA ASP 51 13.842 16.400 9.392 387 HB2 ASP 51 HB3 ASP 51 13.997 17.542 7.124 388 HB3 ASP 51 HB2 ASP 51 15.493 16.863 7.738 389 HA PRO 52 HA PRO 52 9.695 14.576 8.356 390 HB2 PRO 52 HB3 PRO 52 8.453 15.005 10.717 391 HB3 PRO 52 HB2 PRO 52 9.683 13.743 10.539 392 HG2 PRO 52 HG3 PRO 52 9.986 16.532 11.665 393 HG3 PRO 52 HG2 PRO 52 10.560 14.992 12.343 394 HD2 PRO 52 HD3 PRO 52 12.173 16.684 10.896 395 HD3 PRO 52 HD2 PRO 52 12.416 14.924 10.936 396 H ASN 53 H ASN 53 10.630 17.796 8.772 397 HA ASN 53 HA ASN 53 7.971 18.812 7.918 398 HB2 ASN 53 HB3 ASN 53 8.324 20.847 9.288 399 HB3 ASN 53 HB2 ASN 53 8.253 19.397 10.280 400 HD21 ASN 53 HD21 ASN 53 9.557 22.125 10.571 401 HD22 ASN 53 HD22 ASN 53 11.177 21.769 11.049 402 H LEU 54 H LEU 54 11.010 18.364 6.805 403 HA LEU 54 HA LEU 54 11.428 21.011 5.615 404 HB2 LEU 54 HB3 LEU 54 13.050 18.479 5.764 405 HB3 LEU 54 HB2 LEU 54 13.434 19.647 4.518 406 HG LEU 54 HG LEU 54 14.909 19.940 6.444 407 HD11 LEU 54 HD11 LEU 54 12.972 22.253 6.173 408 HD12 LEU 54 HD12 LEU 54 14.376 21.921 5.154 409 HD13 LEU 54 HD13 LEU 54 14.603 22.333 6.850 410 HD21 LEU 54 HD21 LEU 54 13.464 19.073 8.224 411 HD22 LEU 54 HD22 LEU 54 12.432 20.501 8.111 412 HD23 LEU 54 HD23 LEU 54 14.109 20.658 8.643 413 H VAL 55 H VAL 55 12.018 21.114 3.210 414 HA VAL 55 HA VAL 55 9.610 20.379 1.805 415 HB VAL 55 HB VAL 55 10.386 21.728 -0.049 416 HG11 VAL 55 HG11 VAL 55 9.509 22.961 1.878 417 HG12 VAL 55 HG12 VAL 55 10.749 23.906 1.056 418 HG13 VAL 55 HG13 VAL 55 11.127 23.079 2.570 419 HG21 VAL 55 HG21 VAL 55 12.736 20.990 -0.185 420 HG22 VAL 55 HG22 VAL 55 13.116 21.875 1.292 421 HG23 VAL 55 HG23 VAL 55 12.638 22.753 -0.161 422 H ILE 56 H ILE 56 12.818 19.003 1.937 423 HA ILE 56 HA ILE 56 12.684 17.501 -0.513 424 HB ILE 56 HB ILE 56 14.439 17.065 1.947 425 HG12 ILE 56 HG12 ILE 56 15.014 18.493 -0.693 426 HG13 ILE 56 HG11 ILE 56 14.802 19.268 0.872 427 HG21 ILE 56 HG21 ILE 56 15.922 15.714 0.487 428 HG22 ILE 56 HG22 ILE 56 14.758 15.860 -0.832 429 HG23 ILE 56 HG23 ILE 56 14.322 14.982 0.636 430 HD11 ILE 56 HD11 ILE 56 17.133 19.186 0.252 431 HD12 ILE 56 HD12 ILE 56 17.064 17.434 0.080 432 HD13 ILE 56 HD13 ILE 56 16.855 18.173 1.669 433 H ARG 57 H ARG 57 11.220 17.073 2.590 434 HA ARG 57 HA ARG 57 10.874 14.344 2.871 435 HB2 ARG 57 HB3 ARG 57 10.056 16.056 4.493 436 HB3 ARG 57 HB2 ARG 57 8.750 16.465 3.387 437 HG2 ARG 57 HG3 ARG 57 7.927 14.082 3.604 438 HG3 ARG 57 HG2 ARG 57 9.156 13.831 4.845 439 HD2 ARG 57 HD3 ARG 57 7.077 14.291 5.955 440 HD3 ARG 57 HD2 ARG 57 8.107 15.713 6.156 441 HE ARG 57 HE ARG 57 5.946 15.546 4.126 442 HH11 ARG 57 HH11 ARG 57 7.545 17.361 6.592 443 HH12 ARG 57 HH12 ARG 57 6.481 18.706 6.420 444 HH21 ARG 57 HH21 ARG 57 4.597 17.257 3.953 445 HH22 ARG 57 HH22 ARG 57 4.842 18.662 4.935 446 H LYS 58 H LYS 58 9.019 16.551 0.748 447 HA LYS 58 HA LYS 58 7.075 14.653 -0.106 448 HB2 LYS 58 HB3 LYS 58 6.386 16.277 -1.763 449 HB3 LYS 58 HB2 LYS 58 6.706 17.095 -0.239 450 HG2 LYS 58 HG3 LYS 58 8.858 17.901 -1.096 451 HG3 LYS 58 HG2 LYS 58 8.602 17.044 -2.615 452 HD2 LYS 58 HD3 LYS 58 6.887 19.322 -1.540 453 HD3 LYS 58 HD2 LYS 58 8.088 19.455 -2.828 454 HE2 LYS 58 HE3 LYS 58 6.765 17.929 -4.238 455 HE3 LYS 58 HE2 LYS 58 5.580 17.736 -2.942 456 HZ1 LYS 58 HZ1 LYS 58 6.214 20.258 -4.369 457 HZ2 LYS 58 HZ2 LYS 58 5.113 20.108 -3.093 458 HZ3 LYS 58 HZ3 LYS 58 4.821 19.317 -4.559 459 H ARG 59 H ARG 59 10.185 15.643 -1.505 460 HA ARG 59 HA ARG 59 10.185 14.112 -3.882 461 HB2 ARG 59 HB3 ARG 59 11.861 15.851 -3.420 462 HB3 ARG 59 HB2 ARG 59 12.451 14.957 -2.025 463 HG2 ARG 59 HG3 ARG 59 13.269 13.165 -3.552 464 HG3 ARG 59 HG2 ARG 59 12.723 14.121 -4.934 465 HD2 ARG 59 HD3 ARG 59 14.275 15.937 -4.290 466 HD3 ARG 59 HD2 ARG 59 14.802 14.989 -2.893 467 HE ARG 59 HE ARG 59 15.230 13.417 -5.142 468 HH11 ARG 59 HH11 ARG 59 16.426 16.431 -3.934 469 HH12 ARG 59 HH12 ARG 59 17.967 16.232 -4.692 470 HH21 ARG 59 HH21 ARG 59 17.204 13.198 -6.101 471 HH22 ARG 59 HH22 ARG 59 18.391 14.440 -5.910 472 H LYS 60 H LYS 60 11.266 13.386 -0.594 473 HA LYS 60 HA LYS 60 11.962 10.668 -1.036 474 HB2 LYS 60 HB3 LYS 60 11.385 12.175 1.537 475 HB3 LYS 60 HB2 LYS 60 11.982 10.515 1.482 476 HG2 LYS 60 HG3 LYS 60 14.003 11.299 0.257 477 HG3 LYS 60 HG2 LYS 60 13.420 12.962 0.387 478 HD2 LYS 60 HD3 LYS 60 14.091 11.135 2.726 479 HD3 LYS 60 HD2 LYS 60 15.136 12.411 2.101 480 HE2 LYS 60 HE3 LYS 60 13.461 14.105 2.723 481 HE3 LYS 60 HE2 LYS 60 12.374 12.840 3.301 482 HZ1 LYS 60 HZ1 LYS 60 15.068 13.407 4.403 483 HZ2 LYS 60 HZ2 LYS 60 13.967 12.268 4.984 484 HZ3 LYS 60 HZ3 LYS 60 13.607 13.915 5.081 485 H VAL 61 H VAL 61 8.817 12.192 -0.284 486 HA VAL 61 HA VAL 61 7.428 9.796 0.373 487 HB VAL 61 HB VAL 61 6.246 12.147 -1.183 488 HG11 VAL 61 HG11 VAL 61 4.837 10.122 -1.321 489 HG12 VAL 61 HG12 VAL 61 4.049 11.354 -0.337 490 HG13 VAL 61 HG13 VAL 61 4.840 9.980 0.440 491 HG21 VAL 61 HG21 VAL 61 7.149 12.965 0.929 492 HG22 VAL 61 HG22 VAL 61 6.309 11.703 1.818 493 HG23 VAL 61 HG23 VAL 61 5.388 12.969 1.003 494 H GLY 62 H GLY 62 8.117 11.373 -2.759 495 HA2 GLY 62 HA3 GLY 62 6.991 9.496 -4.523 496 HA3 GLY 62 HA2 GLY 62 8.353 10.547 -4.888 497 H VAL 63 H VAL 63 10.330 9.621 -3.195 498 HA VAL 63 HA VAL 63 11.294 7.186 -4.283 499 HB VAL 63 HB VAL 63 12.049 8.435 -1.596 500 HG11 VAL 63 HG11 VAL 63 13.618 6.453 -3.309 501 HG12 VAL 63 HG12 VAL 63 12.856 6.110 -1.753 502 HG13 VAL 63 HG13 VAL 63 14.210 7.236 -1.840 503 HG21 VAL 63 HG21 VAL 63 13.898 9.546 -2.819 504 HG22 VAL 63 HG22 VAL 63 12.322 10.053 -3.428 505 HG23 VAL 63 HG23 VAL 63 13.289 8.894 -4.343 506 H LEU 64 H LEU 64 9.468 7.836 -1.329 507 HA LEU 64 HA LEU 64 9.584 5.176 -0.268 508 HB2 LEU 64 HB3 LEU 64 8.419 7.775 0.609 509 HB3 LEU 64 HB2 LEU 64 7.540 6.373 1.167 510 HG LEU 64 HG LEU 64 9.168 7.174 2.849 511 HD11 LEU 64 HD11 LEU 64 10.182 5.025 3.380 512 HD12 LEU 64 HD12 LEU 64 9.868 4.446 1.740 513 HD13 LEU 64 HD13 LEU 64 8.522 4.822 2.820 514 HD21 LEU 64 HD21 LEU 64 11.592 6.903 2.524 515 HD22 LEU 64 HD22 LEU 64 10.919 8.066 1.387 516 HD23 LEU 64 HD23 LEU 64 11.326 6.440 0.839 517 H LEU 65 H LEU 65 7.393 6.757 -2.500 518 HA LEU 65 HA LEU 65 5.219 4.901 -2.279 519 HB2 LEU 65 HB3 LEU 65 6.113 6.684 -4.575 520 HB3 LEU 65 HB2 LEU 65 4.655 5.707 -4.641 521 HG LEU 65 HG LEU 65 5.161 7.991 -2.687 522 HD11 LEU 65 HD11 LEU 65 3.446 9.228 -3.935 523 HD12 LEU 65 HD12 LEU 65 3.324 7.908 -5.102 524 HD13 LEU 65 HD13 LEU 65 4.824 8.825 -4.958 525 HD21 LEU 65 HD21 LEU 65 2.675 6.290 -3.058 526 HD22 LEU 65 HD22 LEU 65 2.805 7.717 -2.025 527 HD23 LEU 65 HD23 LEU 65 3.758 6.282 -1.662 528 H ASP 66 H ASP 66 8.190 5.039 -4.194 529 HA ASP 66 HA ASP 66 7.882 2.647 -5.687 530 HB2 ASP 66 HB3 ASP 66 9.527 4.349 -6.320 531 HB3 ASP 66 HB2 ASP 66 10.381 4.141 -4.795 532 H ILE 67 H ILE 67 9.518 3.300 -2.576 533 HA ILE 67 HA ILE 67 10.354 0.669 -1.967 534 HB ILE 67 HB ILE 67 9.689 2.979 -0.089 535 HG12 ILE 67 HG12 ILE 67 12.404 2.107 -1.194 536 HG13 ILE 67 HG11 ILE 67 11.454 3.439 -1.840 537 HG21 ILE 67 HG21 ILE 67 11.305 0.473 0.523 538 HG22 ILE 67 HG22 ILE 67 9.726 0.886 1.196 539 HG23 ILE 67 HG23 ILE 67 11.136 1.868 1.591 540 HD11 ILE 67 HD11 ILE 67 12.649 3.293 0.924 541 HD12 ILE 67 HD12 ILE 67 11.683 4.628 0.290 542 HD13 ILE 67 HD13 ILE 67 13.242 4.244 -0.436 543 H LEU 68 H LEU 68 7.330 2.379 -1.202 544 HA LEU 68 HA LEU 68 6.083 0.220 0.209 545 HB2 LEU 68 HB3 LEU 68 5.058 2.814 -0.947 546 HB3 LEU 68 HB2 LEU 68 3.941 1.634 -0.279 547 HG LEU 68 HG LEU 68 6.205 2.941 1.291 548 HD11 LEU 68 HD11 LEU 68 4.473 4.278 2.403 549 HD12 LEU 68 HD12 LEU 68 3.244 3.596 1.335 550 HD13 LEU 68 HD13 LEU 68 4.528 4.609 0.672 551 HD21 LEU 68 HD21 LEU 68 5.608 0.723 2.170 552 HD22 LEU 68 HD22 LEU 68 3.909 1.193 2.256 553 HD23 LEU 68 HD23 LEU 68 5.103 1.995 3.280 554 H GLN 69 H GLN 69 6.298 1.110 -3.197 555 HA GLN 69 HA GLN 69 4.220 -0.558 -4.208 556 HB2 GLN 69 HB3 GLN 69 5.230 1.278 -5.512 557 HB3 GLN 69 HB2 GLN 69 6.766 0.425 -5.564 558 HG2 GLN 69 HG3 GLN 69 5.786 -1.324 -6.960 559 HG3 GLN 69 HG2 GLN 69 4.197 -0.567 -6.835 560 HE21 GLN 69 HE21 GLN 69 4.095 -0.385 -9.111 561 HE22 GLN 69 HE22 GLN 69 4.999 0.810 -9.969 562 H ARG 70 H ARG 70 7.694 -1.148 -3.649 563 HA ARG 70 HA ARG 70 7.993 -3.745 -4.667 564 HB2 ARG 70 HB3 ARG 70 9.378 -2.208 -2.462 565 HB3 ARG 70 HB2 ARG 70 9.767 -3.904 -2.672 566 HG2 ARG 70 HG3 ARG 70 11.304 -2.150 -3.783 567 HG3 ARG 70 HG2 ARG 70 10.833 -3.560 -4.725 568 HD2 ARG 70 HD3 ARG 70 9.534 -2.321 -6.191 569 HD3 ARG 70 HD2 ARG 70 9.151 -1.095 -4.993 570 HE ARG 70 HE ARG 70 11.035 0.073 -5.566 571 HH11 ARG 70 HH11 ARG 70 11.211 -2.991 -7.201 572 HH12 ARG 70 HH12 ARG 70 12.466 -2.446 -8.256 573 HH21 ARG 70 HH21 ARG 70 12.614 0.715 -6.893 574 HH22 ARG 70 HH22 ARG 70 13.278 -0.382 -8.059 575 H THR 71 H THR 71 6.830 -2.701 -1.486 576 HA THR 71 HA THR 71 6.087 -5.444 -0.663 577 HB THR 71 HB THR 71 7.339 -4.095 0.977 578 HG1 THR 71 HG1 THR 71 5.528 -4.067 2.671 579 HG21 THR 71 HG21 THR 71 5.008 -2.146 0.916 580 HG22 THR 71 HG22 THR 71 6.617 -1.836 0.260 581 HG23 THR 71 HG23 THR 71 6.400 -2.069 1.994 582 H GLY 72 H GLY 72 4.669 -3.740 -2.749 583 HA2 GLY 72 HA3 GLY 72 2.584 -2.181 -1.896 584 HA3 GLY 72 HA2 GLY 72 2.636 -3.001 -3.439 585 H HIS 73 H HIS 73 2.409 -5.707 -2.293 586 HA HIS 73 HA HIS 73 -0.372 -5.912 -2.599 587 HB2 HIS 73 HB2 HIS 73 1.596 -7.946 -1.448 588 HB3 HIS 73 HB1 HIS 73 -0.066 -8.320 -1.910 589 HD1 HIS 73 HD1 HIS 73 -0.543 -8.707 -4.351 590 HD2 HIS 73 HD2 HIS 73 3.289 -7.246 -3.716 591 HE1 HIS 73 HE1 HIS 73 0.603 -8.847 -6.562 592 HE2 HIS 73 HE2 HIS 73 2.966 -8.161 -6.112 593 H LYS 74 H LYS 74 1.528 -5.996 0.413 594 HA LYS 74 HA LYS 74 -0.868 -5.727 2.075 595 HB2 LYS 74 HB3 LYS 74 2.098 -5.727 2.784 596 HB3 LYS 74 HB2 LYS 74 0.815 -5.525 3.968 597 HG2 LYS 74 HG3 LYS 74 1.498 -7.797 4.112 598 HG3 LYS 74 HG2 LYS 74 -0.060 -7.803 3.290 599 HD2 LYS 74 HD3 LYS 74 1.458 -9.400 2.228 600 HD3 LYS 74 HD2 LYS 74 1.103 -8.085 1.106 601 HE2 LYS 74 HE3 LYS 74 3.486 -8.691 1.036 602 HE3 LYS 74 HE2 LYS 74 3.283 -7.046 1.641 603 HZ1 LYS 74 HZ1 LYS 74 3.730 -9.453 3.330 604 HZ2 LYS 74 HZ2 LYS 74 3.584 -7.863 3.883 605 HZ3 LYS 74 HZ3 LYS 74 4.903 -8.303 2.927 606 H GLY 75 H GLY 75 1.861 -3.789 0.942 607 HA2 GLY 75 HA3 GLY 75 1.697 -1.557 2.635 608 HA3 GLY 75 HA2 GLY 75 2.495 -1.604 1.073 609 H TYR 76 H TYR 76 0.698 -1.683 -0.789 610 HA TYR 76 HA TYR 76 -0.593 0.707 -1.133 611 HB2 TYR 76 HB2 TYR 76 -0.159 -0.925 -2.953 612 HB3 TYR 76 HB1 TYR 76 -1.396 -1.991 -2.309 613 HD1 TYR 76 HD1 TYR 76 -3.638 -1.779 -3.059 614 HD2 TYR 76 HD2 TYR 76 -0.912 1.438 -3.734 615 HE1 TYR 76 HE1 TYR 76 -5.340 -0.620 -4.392 616 HE2 TYR 76 HE2 TYR 76 -2.607 2.592 -5.068 617 HH TYR 76 HH TYR 76 -5.881 1.671 -5.082 618 H VAL 77 H VAL 77 -2.070 -2.296 0.091 619 HA VAL 77 HA VAL 77 -4.738 -1.353 0.307 620 HB VAL 77 HB VAL 77 -3.389 -3.617 1.845 621 HG11 VAL 77 HG11 VAL 77 -5.521 -2.997 2.898 622 HG12 VAL 77 HG12 VAL 77 -5.670 -4.563 2.098 623 HG13 VAL 77 HG13 VAL 77 -6.350 -3.119 1.343 624 HG21 VAL 77 HG21 VAL 77 -3.154 -3.917 -0.586 625 HG22 VAL 77 HG22 VAL 77 -4.891 -3.694 -0.804 626 HG23 VAL 77 HG23 VAL 77 -4.287 -5.103 0.069 627 H ALA 78 H ALA 78 -2.180 -1.726 2.779 628 HA ALA 78 HA ALA 78 -3.510 -0.444 4.934 629 HB1 ALA 78 HB1 ALA 78 -1.287 -0.308 5.985 630 HB2 ALA 78 HB2 ALA 78 -0.522 -0.703 4.441 631 HB3 ALA 78 HB3 ALA 78 -1.539 -1.894 5.252 632 H PHE 79 H PHE 79 -1.792 0.837 2.165 633 HA PHE 79 HA PHE 79 -1.333 3.487 3.174 634 HB2 PHE 79 HB2 PHE 79 -0.054 2.359 1.260 635 HB3 PHE 79 HB1 PHE 79 -1.462 2.638 0.246 636 HD1 PHE 79 HD1 PHE 79 -1.552 4.659 -1.013 637 HD2 PHE 79 HD2 PHE 79 0.933 4.463 2.466 638 HE1 PHE 79 HE1 PHE 79 -0.668 6.909 -1.505 639 HE2 PHE 79 HE2 PHE 79 1.803 6.697 1.975 640 HZ PHE 79 HZ PHE 79 1.007 7.931 -0.011 641 H LEU 80 H LEU 80 -3.802 1.988 1.060 642 HA LEU 80 HA LEU 80 -5.401 4.279 0.621 643 HB2 LEU 80 HB3 LEU 80 -6.246 1.360 0.699 644 HB3 LEU 80 HB2 LEU 80 -7.254 2.674 0.117 645 HG LEU 80 HG LEU 80 -4.768 1.518 -1.180 646 HD11 LEU 80 HD11 LEU 80 -6.300 1.104 -3.062 647 HD12 LEU 80 HD12 LEU 80 -7.637 1.787 -2.136 648 HD13 LEU 80 HD13 LEU 80 -6.842 0.310 -1.586 649 HD21 LEU 80 HD21 LEU 80 -4.557 3.942 -1.388 650 HD22 LEU 80 HD22 LEU 80 -6.208 4.067 -2.003 651 HD23 LEU 80 HD23 LEU 80 -4.970 3.230 -2.947 652 H GLU 81 H GLU 81 -5.551 1.730 3.113 653 HA GLU 81 HA GLU 81 -7.847 2.779 4.463 654 HB2 GLU 81 HB3 GLU 81 -5.745 0.766 5.316 655 HB3 GLU 81 HB2 GLU 81 -7.155 1.171 6.296 656 HG2 GLU 81 HG3 GLU 81 -8.610 0.445 4.371 657 HG3 GLU 81 HG2 GLU 81 -7.151 -0.107 3.546 658 H SER 82 H SER 82 -4.349 3.369 4.859 659 HA SER 82 HA SER 82 -4.579 4.869 7.300 660 HB2 SER 82 HB3 SER 82 -2.321 5.691 6.878 661 HB3 SER 82 HB2 SER 82 -2.381 3.979 6.467 662 HG SER 82 HG SER 82 -1.724 4.524 4.571 663 H LEU 83 H LEU 83 -4.614 5.765 3.845 664 HA LEU 83 HA LEU 83 -4.986 8.553 4.192 665 HB2 LEU 83 HB3 LEU 83 -5.800 6.755 1.885 666 HB3 LEU 83 HB2 LEU 83 -5.869 8.512 1.835 667 HG LEU 83 HG LEU 83 -3.370 6.808 2.091 668 HD11 LEU 83 HD11 LEU 83 -4.313 8.590 -0.166 669 HD12 LEU 83 HD12 LEU 83 -4.256 6.825 -0.166 670 HD13 LEU 83 HD13 LEU 83 -2.759 7.753 -0.091 671 HD21 LEU 83 HD21 LEU 83 -3.097 8.794 3.470 672 HD22 LEU 83 HD22 LEU 83 -3.588 9.833 2.129 673 HD23 LEU 83 HD23 LEU 83 -2.091 8.904 2.029 674 H GLU 84 H GLU 84 -7.324 5.881 3.999 675 HA GLU 84 HA GLU 84 -9.742 7.265 3.869 676 HB2 GLU 84 HB3 GLU 84 -9.492 4.781 3.722 677 HB3 GLU 84 HB2 GLU 84 -9.139 4.721 5.440 678 HG2 GLU 84 HG3 GLU 84 -11.373 4.073 5.355 679 HG3 GLU 84 HG2 GLU 84 -11.486 5.779 5.768 680 H LEU 85 H LEU 85 -7.610 6.743 6.628 681 HA LEU 85 HA LEU 85 -9.525 7.813 8.582 682 HB2 LEU 85 HB3 LEU 85 -6.783 6.570 9.003 683 HB3 LEU 85 HB2 LEU 85 -7.937 6.968 10.270 684 HG LEU 85 HG LEU 85 -8.290 4.837 8.121 685 HD11 LEU 85 HD11 LEU 85 -7.878 4.515 11.104 686 HD12 LEU 85 HD12 LEU 85 -6.696 4.174 9.838 687 HD13 LEU 85 HD13 LEU 85 -8.168 3.215 9.942 688 HD21 LEU 85 HD21 LEU 85 -10.207 5.558 10.364 689 HD22 LEU 85 HD22 LEU 85 -10.376 4.207 9.240 690 HD23 LEU 85 HD23 LEU 85 -10.457 5.859 8.641 691 H TYR 86 H TYR 86 -6.387 8.679 7.133 692 HA TYR 86 HA TYR 86 -6.035 10.988 8.937 693 HB2 TYR 86 HB2 TYR 86 -4.204 9.649 6.909 694 HB3 TYR 86 HB1 TYR 86 -3.807 11.209 7.618 695 HD1 TYR 86 HD1 TYR 86 -2.627 11.295 9.667 696 HD2 TYR 86 HD2 TYR 86 -4.633 7.672 8.611 697 HE1 TYR 86 HE1 TYR 86 -1.583 10.157 11.578 698 HE2 TYR 86 HE2 TYR 86 -3.590 6.534 10.519 699 HH TYR 86 HH TYR 86 -2.068 8.143 13.035 700 H TYR 87 H TYR 87 -6.162 10.405 5.383 701 HA TYR 87 HA TYR 87 -6.985 13.241 4.954 702 HB2 TYR 87 HB2 TYR 87 -5.281 11.457 3.147 703 HB3 TYR 87 HB1 TYR 87 -5.879 13.044 2.691 704 HD1 TYR 87 HD1 TYR 87 -3.091 11.309 4.041 705 HD2 TYR 87 HD2 TYR 87 -5.185 15.030 4.313 706 HE1 TYR 87 HE1 TYR 87 -1.061 12.392 4.923 707 HE2 TYR 87 HE2 TYR 87 -3.161 16.103 5.192 708 HH TYR 87 HH TYR 87 -0.115 14.768 5.001 709 HA PRO 88 HA PRO 88 -10.290 10.060 3.736 710 HB2 PRO 88 HB3 PRO 88 -12.506 11.604 4.393 711 HB3 PRO 88 HB2 PRO 88 -11.641 10.562 5.532 712 HG2 PRO 88 HG3 PRO 88 -11.363 13.531 5.094 713 HG3 PRO 88 HG2 PRO 88 -11.449 12.631 6.625 714 HD2 PRO 88 HD3 PRO 88 -9.093 13.499 5.650 715 HD3 PRO 88 HD2 PRO 88 -9.213 11.937 6.487 716 H GLN 89 H GLN 89 -10.959 13.545 3.064 717 HA GLN 89 HA GLN 89 -12.390 13.106 0.658 718 HB2 GLN 89 HB3 GLN 89 -11.015 15.608 1.713 719 HB3 GLN 89 HB2 GLN 89 -12.045 15.588 0.285 720 HG2 GLN 89 HG3 GLN 89 -12.925 14.891 3.103 721 HG3 GLN 89 HG2 GLN 89 -13.245 16.411 2.266 722 HE21 GLN 89 HE21 GLN 89 -14.749 16.407 0.523 723 HE22 GLN 89 HE22 GLN 89 -15.888 15.127 0.310 724 H LEU 90 H LEU 90 -8.968 13.864 1.276 725 HA LEU 90 HA LEU 90 -8.099 14.170 -1.394 726 HB2 LEU 90 HB3 LEU 90 -6.751 14.785 0.626 727 HB3 LEU 90 HB2 LEU 90 -6.528 13.075 0.963 728 HG LEU 90 HG LEU 90 -5.368 12.864 -1.294 729 HD11 LEU 90 HD11 LEU 90 -5.424 15.892 -1.228 730 HD12 LEU 90 HD12 LEU 90 -6.260 14.850 -2.385 731 HD13 LEU 90 HD13 LEU 90 -4.501 14.893 -2.351 732 HD21 LEU 90 HD21 LEU 90 -3.230 13.784 -0.508 733 HD22 LEU 90 HD22 LEU 90 -4.083 12.915 0.767 734 HD23 LEU 90 HD23 LEU 90 -4.079 14.680 0.755 735 H TYR 91 H TYR 91 -8.251 11.297 0.702 736 HA TYR 91 HA TYR 91 -7.220 9.330 -0.990 737 HB2 TYR 91 HB2 TYR 91 -7.593 8.743 1.303 738 HB3 TYR 91 HB1 TYR 91 -9.282 9.221 1.239 739 HD1 TYR 91 HD1 TYR 91 -10.847 7.480 1.201 740 HD2 TYR 91 HD2 TYR 91 -6.988 6.769 -0.485 741 HE1 TYR 91 HE1 TYR 91 -11.507 5.175 0.679 742 HE2 TYR 91 HE2 TYR 91 -7.648 4.467 -1.005 743 HH TYR 91 HH TYR 91 -10.867 3.391 -0.898 744 H LYS 92 H LYS 92 -10.651 10.181 -0.468 745 HA LYS 92 HA LYS 92 -11.693 8.513 -2.509 746 HB2 LYS 92 HB3 LYS 92 -12.925 10.961 -1.188 747 HB3 LYS 92 HB2 LYS 92 -13.810 9.776 -2.153 748 HG2 LYS 92 HG3 LYS 92 -13.195 8.011 -0.502 749 HG3 LYS 92 HG2 LYS 92 -12.367 9.232 0.467 750 HD2 LYS 92 HD3 LYS 92 -14.573 8.776 1.405 751 HD3 LYS 92 HD2 LYS 92 -14.518 10.428 0.786 752 HE2 LYS 92 HE3 LYS 92 -15.785 9.783 -1.189 753 HE3 LYS 92 HE2 LYS 92 -15.703 8.078 -0.741 754 HZ1 LYS 92 HZ1 LYS 92 -17.839 9.075 -0.211 755 HZ2 LYS 92 HZ2 LYS 92 -17.089 10.186 0.816 756 HZ3 LYS 92 HZ3 LYS 92 -17.052 8.538 1.185 757 H LYS 93 H LYS 93 -10.378 11.760 -2.627 758 HA LYS 93 HA LYS 93 -11.342 12.510 -5.217 759 HB2 LYS 93 HB3 LYS 93 -10.545 14.169 -3.583 760 HB3 LYS 93 HB2 LYS 93 -8.931 13.477 -3.627 761 HG2 LYS 93 HG3 LYS 93 -8.963 15.526 -4.907 762 HG3 LYS 93 HG2 LYS 93 -8.718 14.163 -6.004 763 HD2 LYS 93 HD3 LYS 93 -11.164 14.247 -6.572 764 HD3 LYS 93 HD2 LYS 93 -11.319 15.680 -5.547 765 HE2 LYS 93 HE3 LYS 93 -9.602 15.430 -8.041 766 HE3 LYS 93 HE2 LYS 93 -11.117 16.322 -7.900 767 HZ1 LYS 93 HZ1 LYS 93 -10.059 17.802 -6.313 768 HZ2 LYS 93 HZ2 LYS 93 -9.196 17.786 -7.765 769 HZ3 LYS 93 HZ3 LYS 93 -8.609 16.940 -6.421 770 H VAL 94 H VAL 94 -8.139 11.247 -4.136 771 HA VAL 94 HA VAL 94 -7.020 11.191 -6.768 772 HB VAL 94 HB VAL 94 -5.058 10.056 -5.779 773 HG11 VAL 94 HG11 VAL 94 -4.380 11.833 -4.190 774 HG12 VAL 94 HG12 VAL 94 -6.059 12.365 -4.059 775 HG13 VAL 94 HG13 VAL 94 -5.206 12.509 -5.598 776 HG21 VAL 94 HG21 VAL 94 -6.190 8.555 -4.174 777 HG22 VAL 94 HG22 VAL 94 -6.661 9.940 -3.186 778 HG23 VAL 94 HG23 VAL 94 -4.955 9.519 -3.357 779 H THR 95 H THR 95 -8.779 8.804 -4.883 780 HA THR 95 HA THR 95 -8.329 6.645 -6.809 781 HB THR 95 HB THR 95 -9.993 5.373 -5.441 782 HG1 THR 95 HG1 THR 95 -10.939 6.342 -3.653 783 HG21 THR 95 HG21 THR 95 -8.694 5.226 -3.347 784 HG22 THR 95 HG22 THR 95 -7.874 6.739 -3.734 785 HG23 THR 95 HG23 THR 95 -7.613 5.311 -4.740 786 H GLY 96 H GLY 96 -10.694 9.158 -6.175 787 HA2 GLY 96 HA3 GLY 96 -12.262 10.015 -7.701 788 HA3 GLY 96 HA2 GLY 96 -12.185 8.535 -8.642 789 H LYS 97 H LYS 97 -12.467 7.397 -5.612 790 HA LYS 97 HA LYS 97 -15.269 7.756 -5.097 791 HB2 LYS 97 HB3 LYS 97 -16.016 5.418 -5.418 792 HB3 LYS 97 HB2 LYS 97 -15.562 6.179 -6.927 793 HG2 LYS 97 HG3 LYS 97 -13.760 4.226 -5.442 794 HG3 LYS 97 HG2 LYS 97 -14.924 3.737 -6.676 795 HD2 LYS 97 HD3 LYS 97 -13.748 5.167 -8.332 796 HD3 LYS 97 HD2 LYS 97 -12.579 5.629 -7.093 797 HE2 LYS 97 HE3 LYS 97 -13.014 2.809 -8.139 798 HE3 LYS 97 HE2 LYS 97 -11.692 3.881 -8.594 799 HZ1 LYS 97 HZ1 LYS 97 -12.196 2.717 -5.905 800 HZ2 LYS 97 HZ2 LYS 97 -11.010 3.878 -6.226 801 HZ3 LYS 97 HZ3 LYS 97 -10.918 2.358 -6.955 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -14.309 -3.428 -5.856 2 H2 MET 1 HT2 MET 1 -13.162 -2.975 -4.704 3 H3 MET 1 HT3 MET 1 -13.270 -4.588 -5.194 4 HA MET 1 HA MET 1 -12.599 -3.996 -7.428 5 HB2 MET 1 HB2 MET 1 -12.379 -1.207 -6.222 6 HB3 MET 1 HB1 MET 1 -11.613 -1.646 -7.744 7 HG2 MET 1 HG2 MET 1 -13.715 -0.469 -8.123 8 HG3 MET 1 HG1 MET 1 -13.816 -2.127 -8.724 9 HE1 MET 1 HE1 MET 1 -16.448 -2.110 -8.850 10 HE2 MET 1 HE2 MET 1 -16.431 -0.413 -8.367 11 HE3 MET 1 HE3 MET 1 -17.486 -1.558 -7.537 12 H SER 2 H SER 2 -10.365 -4.005 -8.022 13 HA SER 2 HA SER 2 -8.176 -4.467 -7.848 14 HB2 SER 2 HB3 SER 2 -8.046 -2.223 -6.756 15 HB3 SER 2 HB2 SER 2 -8.209 -2.995 -5.182 16 HG SER 2 HG SER 2 -6.066 -3.115 -7.015 17 H ASP 3 H ASP 3 -10.367 -6.086 -6.128 18 HA ASP 3 HA ASP 3 -8.924 -7.571 -4.166 19 HB2 ASP 3 HB3 ASP 3 -11.356 -8.547 -5.733 20 HB3 ASP 3 HB2 ASP 3 -10.851 -9.059 -4.123 21 H TYR 4 H TYR 4 -10.098 -8.534 -7.356 22 HA TYR 4 HA TYR 4 -8.235 -10.767 -7.617 23 HB2 TYR 4 HB2 TYR 4 -9.580 -11.212 -9.734 24 HB3 TYR 4 HB1 TYR 4 -10.519 -11.241 -8.250 25 HD1 TYR 4 HD1 TYR 4 -9.996 -9.476 -11.443 26 HD2 TYR 4 HD2 TYR 4 -12.163 -9.410 -7.755 27 HE1 TYR 4 HE1 TYR 4 -11.561 -7.833 -12.383 28 HE2 TYR 4 HE2 TYR 4 -13.728 -7.762 -8.706 29 HH TYR 4 HH TYR 4 -13.754 -6.060 -10.521 30 H GLU 5 H GLU 5 -8.073 -7.514 -8.243 31 HA GLU 5 HA GLU 5 -6.555 -7.670 -10.759 32 HB2 GLU 5 HB3 GLU 5 -8.373 -6.018 -10.646 33 HB3 GLU 5 HB2 GLU 5 -7.658 -5.281 -9.221 34 HG2 GLU 5 HG3 GLU 5 -5.787 -4.436 -10.500 35 HG3 GLU 5 HG2 GLU 5 -6.271 -5.362 -11.919 36 H ASN 6 H ASN 6 -4.490 -6.799 -10.962 37 HA ASN 6 HA ASN 6 -2.611 -7.198 -8.903 38 HB2 ASN 6 HB3 ASN 6 -2.005 -7.405 -11.260 39 HB3 ASN 6 HB2 ASN 6 -2.415 -5.720 -11.557 40 HD21 ASN 6 HD21 ASN 6 -0.364 -5.281 -12.375 41 HD22 ASN 6 HD22 ASN 6 1.035 -5.182 -11.372 42 H ASP 7 H ASP 7 -2.035 -5.929 -7.237 43 HA ASP 7 HA ASP 7 -3.030 -3.352 -6.664 44 HB2 ASP 7 HB3 ASP 7 -1.259 -3.353 -4.835 45 HB3 ASP 7 HB2 ASP 7 -2.326 -4.750 -4.851 46 H ASP 8 H ASP 8 -0.012 -4.376 -8.215 47 HA ASP 8 HA ASP 8 1.364 -1.904 -8.238 48 HB2 ASP 8 HB3 ASP 8 2.445 -4.109 -8.684 49 HB3 ASP 8 HB2 ASP 8 1.583 -4.220 -10.212 50 H GLU 9 H GLU 9 -0.985 -3.313 -10.509 51 HA GLU 9 HA GLU 9 -0.921 -1.299 -12.508 52 HB2 GLU 9 HB3 GLU 9 -2.008 -3.550 -12.782 53 HB3 GLU 9 HB2 GLU 9 -3.280 -3.049 -11.680 54 HG2 GLU 9 HG3 GLU 9 -4.089 -2.881 -13.947 55 HG3 GLU 9 HG2 GLU 9 -3.942 -1.263 -13.270 56 H CYS 10 H CYS 10 -2.692 -1.607 -9.465 57 HA CYS 10 HA CYS 10 -4.209 0.827 -9.720 58 HB2 CYS 10 HB3 CYS 10 -3.638 -0.882 -7.273 59 HB3 CYS 10 HB2 CYS 10 -4.871 0.371 -7.390 60 HG CYS 10 HG CYS 10 -5.714 -1.385 -9.837 61 H TRP 11 H TRP 11 -1.013 0.045 -8.391 62 HA TRP 11 HA TRP 11 -0.436 2.591 -7.206 63 HB2 TRP 11 HB2 TRP 11 1.315 0.338 -8.252 64 HB3 TRP 11 HB1 TRP 11 2.048 1.864 -7.783 65 HD1 TRP 11 HD1 TRP 11 1.016 -1.409 -6.325 66 HE1 TRP 11 HE1 TRP 11 1.286 -1.351 -3.773 67 HE3 TRP 11 HE3 TRP 11 1.613 3.638 -5.669 68 HZ2 TRP 11 HZ2 TRP 11 1.693 0.564 -1.742 69 HZ3 TRP 11 HZ3 TRP 11 1.929 4.501 -3.384 70 HH2 TRP 11 HH2 TRP 11 1.967 2.993 -1.459 71 H SER 12 H SER 12 -0.200 1.283 -10.472 72 HA SER 12 HA SER 12 1.055 3.504 -11.739 73 HB2 SER 12 HB3 SER 12 0.960 1.236 -12.748 74 HB3 SER 12 HB2 SER 12 -0.781 1.403 -12.964 75 HG SER 12 HG SER 12 1.033 2.073 -14.674 76 H VAL 13 H VAL 13 -2.332 2.797 -10.949 77 HA VAL 13 HA VAL 13 -3.555 5.024 -12.218 78 HB VAL 13 HB VAL 13 -4.320 3.651 -9.593 79 HG11 VAL 13 HG11 VAL 13 -6.584 4.608 -9.906 80 HG12 VAL 13 HG12 VAL 13 -6.008 5.519 -11.305 81 HG13 VAL 13 HG13 VAL 13 -5.370 5.871 -9.697 82 HG21 VAL 13 HG21 VAL 13 -4.327 2.102 -11.500 83 HG22 VAL 13 HG22 VAL 13 -5.373 3.193 -12.412 84 HG23 VAL 13 HG23 VAL 13 -5.976 2.409 -10.950 85 H LEU 14 H LEU 14 -2.285 4.653 -8.876 86 HA LEU 14 HA LEU 14 -2.623 7.327 -8.034 87 HB2 LEU 14 HB3 LEU 14 -0.728 5.195 -6.999 88 HB3 LEU 14 HB2 LEU 14 -0.994 6.737 -6.199 89 HG LEU 14 HG LEU 14 -3.034 4.511 -6.576 90 HD11 LEU 14 HD11 LEU 14 -1.759 5.619 -4.055 91 HD12 LEU 14 HD12 LEU 14 -1.398 4.067 -4.815 92 HD13 LEU 14 HD13 LEU 14 -2.995 4.357 -4.131 93 HD21 LEU 14 HD21 LEU 14 -4.191 6.656 -6.819 94 HD22 LEU 14 HD22 LEU 14 -3.473 7.248 -5.319 95 HD23 LEU 14 HD23 LEU 14 -4.616 5.903 -5.284 96 H GLU 15 H GLU 15 -0.094 5.894 -9.960 97 HA GLU 15 HA GLU 15 2.023 7.678 -9.723 98 HB2 GLU 15 HB3 GLU 15 2.044 5.609 -11.109 99 HB3 GLU 15 HB2 GLU 15 0.976 6.370 -12.274 100 HG2 GLU 15 HG3 GLU 15 3.124 6.470 -13.232 101 HG3 GLU 15 HG2 GLU 15 2.804 8.102 -12.654 102 H GLY 16 H GLY 16 -0.837 7.955 -11.843 103 HA2 GLY 16 HA3 GLY 16 -0.330 10.508 -12.958 104 HA3 GLY 16 HA2 GLY 16 -1.895 9.719 -12.849 105 H PHE 17 H PHE 17 -1.384 9.630 -9.771 106 HA PHE 17 HA PHE 17 -2.348 12.373 -9.175 107 HB2 PHE 17 HB2 PHE 17 -2.587 9.807 -7.536 108 HB3 PHE 17 HB1 PHE 17 -3.211 11.378 -7.049 109 HD1 PHE 17 HD1 PHE 17 -3.731 8.473 -9.225 110 HD2 PHE 17 HD2 PHE 17 -5.193 12.338 -8.137 111 HE1 PHE 17 HE1 PHE 17 -5.860 7.989 -10.353 112 HE2 PHE 17 HE2 PHE 17 -7.318 11.840 -9.263 113 HZ PHE 17 HZ PHE 17 -7.654 9.676 -10.373 114 H ARG 18 H ARG 18 0.586 10.896 -9.227 115 HA ARG 18 HA ARG 18 1.426 10.715 -6.552 116 HB2 ARG 18 HB3 ARG 18 2.544 9.719 -8.663 117 HB3 ARG 18 HB2 ARG 18 3.364 11.268 -8.819 118 HG2 ARG 18 HG3 ARG 18 4.292 10.935 -6.497 119 HG3 ARG 18 HG2 ARG 18 3.562 9.328 -6.492 120 HD2 ARG 18 HD3 ARG 18 5.878 9.073 -7.079 121 HD3 ARG 18 HD2 ARG 18 4.929 8.786 -8.545 122 HE ARG 18 HE ARG 18 5.828 11.505 -8.219 123 HH11 ARG 18 HH11 ARG 18 6.576 8.461 -9.684 124 HH12 ARG 18 HH12 ARG 18 7.821 9.145 -10.673 125 HH21 ARG 18 HH21 ARG 18 7.386 12.336 -9.478 126 HH22 ARG 18 HH22 ARG 18 8.269 11.316 -10.556 127 H VAL 19 H VAL 19 1.513 13.503 -8.732 128 HA VAL 19 HA VAL 19 3.047 15.273 -7.148 129 HB VAL 19 HB VAL 19 2.541 15.792 -9.489 130 HG11 VAL 19 HG11 VAL 19 0.307 16.554 -10.244 131 HG12 VAL 19 HG12 VAL 19 -0.358 16.176 -8.654 132 HG13 VAL 19 HG13 VAL 19 0.267 14.881 -9.675 133 HG21 VAL 19 HG21 VAL 19 1.387 17.917 -7.637 134 HG22 VAL 19 HG22 VAL 19 1.963 18.195 -9.282 135 HG23 VAL 19 HG23 VAL 19 3.095 17.695 -8.025 136 H THR 20 H THR 20 -0.466 14.634 -7.161 137 HA THR 20 HA THR 20 -1.225 16.505 -5.148 138 HB THR 20 HB THR 20 -2.679 13.918 -5.892 139 HG1 THR 20 HG1 THR 20 -3.132 14.825 -7.738 140 HG21 THR 20 HG21 THR 20 -4.722 15.154 -5.251 141 HG22 THR 20 HG22 THR 20 -3.744 16.542 -4.779 142 HG23 THR 20 HG23 THR 20 -3.610 15.024 -3.887 143 H LEU 21 H LEU 21 -0.320 13.070 -5.076 144 HA LEU 21 HA LEU 21 -0.888 12.520 -2.359 145 HB2 LEU 21 HB3 LEU 21 1.184 11.187 -4.145 146 HB3 LEU 21 HB2 LEU 21 0.550 10.530 -2.644 147 HG LEU 21 HG LEU 21 -0.964 10.890 -5.262 148 HD11 LEU 21 HD11 LEU 21 -1.130 8.442 -5.265 149 HD12 LEU 21 HD12 LEU 21 -0.187 8.362 -3.775 150 HD13 LEU 21 HD13 LEU 21 0.551 8.973 -5.257 151 HD21 LEU 21 HD21 LEU 21 -2.067 9.882 -2.617 152 HD22 LEU 21 HD22 LEU 21 -2.908 9.842 -4.170 153 HD23 LEU 21 HD23 LEU 21 -2.501 11.387 -3.431 154 H THR 22 H THR 22 2.169 13.430 -3.977 155 HA THR 22 HA THR 22 3.775 13.435 -1.621 156 HB THR 22 HB THR 22 5.496 14.592 -3.009 157 HG1 THR 22 HG1 THR 22 4.012 14.367 -5.344 158 HG21 THR 22 HG21 THR 22 5.388 12.136 -3.108 159 HG22 THR 22 HG22 THR 22 5.826 12.792 -4.687 160 HG23 THR 22 HG23 THR 22 4.182 12.221 -4.393 161 H SER 23 H SER 23 1.714 15.852 -3.066 162 HA SER 23 HA SER 23 2.835 18.127 -1.654 163 HB2 SER 23 HB3 SER 23 1.790 18.437 -3.864 164 HB3 SER 23 HB2 SER 23 0.243 17.870 -3.238 165 HG SER 23 HG SER 23 1.376 19.973 -1.834 166 H VAL 24 H VAL 24 -0.320 16.387 -1.445 167 HA VAL 24 HA VAL 24 -1.129 17.915 0.894 168 HB VAL 24 HB VAL 24 -2.605 15.580 -0.399 169 HG11 VAL 24 HG11 VAL 24 -4.632 16.540 0.661 170 HG12 VAL 24 HG12 VAL 24 -3.644 17.793 1.416 171 HG13 VAL 24 HG13 VAL 24 -3.419 16.103 1.869 172 HG21 VAL 24 HG21 VAL 24 -2.204 17.333 -2.085 173 HG22 VAL 24 HG22 VAL 24 -2.896 18.549 -1.010 174 HG23 VAL 24 HG23 VAL 24 -3.916 17.262 -1.659 175 H ILE 25 H ILE 25 -0.295 14.477 0.237 176 HA ILE 25 HA ILE 25 -0.689 13.650 2.992 177 HB ILE 25 HB ILE 25 0.712 12.101 0.765 178 HG12 ILE 25 HG12 ILE 25 -2.178 11.768 1.643 179 HG13 ILE 25 HG11 ILE 25 -1.701 12.794 0.292 180 HG21 ILE 25 HG21 ILE 25 1.267 11.219 2.999 181 HG22 ILE 25 HG22 ILE 25 0.239 10.082 2.126 182 HG23 ILE 25 HG23 ILE 25 -0.449 11.097 3.395 183 HD11 ILE 25 HD11 ILE 25 -1.207 9.834 0.505 184 HD12 ILE 25 HD12 ILE 25 -0.749 10.873 -0.848 185 HD13 ILE 25 HD13 ILE 25 -2.451 10.628 -0.459 186 H ASP 26 H ASP 26 0.701 14.394 4.477 187 HA ASP 26 HA ASP 26 3.597 14.287 4.027 188 HB2 ASP 26 HB3 ASP 26 2.050 15.041 6.555 189 HB3 ASP 26 HB2 ASP 26 3.781 15.233 6.299 190 HA PRO 27 HA PRO 27 3.530 9.951 5.491 191 HB2 PRO 27 HB3 PRO 27 6.300 9.736 5.801 192 HB3 PRO 27 HB2 PRO 27 5.441 9.497 4.276 193 HG2 PRO 27 HG3 PRO 27 6.868 11.949 5.283 194 HG3 PRO 27 HG2 PRO 27 6.874 11.239 3.652 195 HD2 PRO 27 HD3 PRO 27 5.378 13.394 4.234 196 HD3 PRO 27 HD2 PRO 27 4.785 12.144 3.120 197 H SER 28 H SER 28 5.280 12.601 7.066 198 HA SER 28 HA SER 28 5.873 11.634 9.583 199 HB2 SER 28 HB3 SER 28 4.840 14.423 8.915 200 HB3 SER 28 HB2 SER 28 5.780 13.986 10.343 201 HG SER 28 HG SER 28 7.280 14.721 8.979 202 H ARG 29 H ARG 29 2.704 12.465 8.323 203 HA ARG 29 HA ARG 29 1.330 12.525 10.860 204 HB2 ARG 29 HB3 ARG 29 0.636 13.735 8.698 205 HB3 ARG 29 HB2 ARG 29 0.089 12.176 8.095 206 HG2 ARG 29 HG3 ARG 29 -1.804 13.426 8.960 207 HG3 ARG 29 HG2 ARG 29 -1.509 12.032 10.001 208 HD2 ARG 29 HD3 ARG 29 -0.302 13.507 11.605 209 HD3 ARG 29 HD2 ARG 29 -0.651 14.892 10.564 210 HE ARG 29 HE ARG 29 -3.092 13.717 11.151 211 HH11 ARG 29 HH11 ARG 29 -0.554 15.205 12.995 212 HH12 ARG 29 HH12 ARG 29 -1.641 15.780 14.210 213 HH21 ARG 29 HH21 ARG 29 -4.441 14.460 12.727 214 HH22 ARG 29 HH22 ARG 29 -3.805 15.355 14.062 215 H ILE 30 H ILE 30 1.757 10.112 8.253 216 HA ILE 30 HA ILE 30 0.135 8.097 9.703 217 HB ILE 30 HB ILE 30 0.106 6.808 7.574 218 HG12 ILE 30 HG12 ILE 30 1.649 9.195 6.416 219 HG13 ILE 30 HG11 ILE 30 2.281 7.567 6.618 220 HG21 ILE 30 HG21 ILE 30 -0.791 9.702 7.225 221 HG22 ILE 30 HG22 ILE 30 -1.698 8.423 8.034 222 HG23 ILE 30 HG23 ILE 30 -1.384 8.312 6.306 223 HD11 ILE 30 HD11 ILE 30 0.072 8.409 4.748 224 HD12 ILE 30 HD12 ILE 30 0.647 6.754 4.967 225 HD13 ILE 30 HD13 ILE 30 1.728 7.985 4.314 226 H THR 31 H THR 31 3.271 8.901 9.838 227 HA THR 31 HA THR 31 4.871 6.777 9.132 228 HB THR 31 HB THR 31 6.327 7.512 11.257 229 HG1 THR 31 HG1 THR 31 5.779 9.798 11.701 230 HG21 THR 31 HG21 THR 31 7.249 9.418 9.998 231 HG22 THR 31 HG22 THR 31 5.836 9.410 8.946 232 HG23 THR 31 HG23 THR 31 6.948 8.043 8.937 233 HA PRO 32 HA PRO 32 4.470 4.435 13.339 234 HB2 PRO 32 HB3 PRO 32 2.495 4.962 15.122 235 HB3 PRO 32 HB2 PRO 32 3.994 5.906 15.089 236 HG2 PRO 32 HG3 PRO 32 1.312 6.581 13.873 237 HG3 PRO 32 HG2 PRO 32 2.381 7.608 14.855 238 HD2 PRO 32 HD3 PRO 32 2.318 7.741 12.129 239 HD3 PRO 32 HD2 PRO 32 3.793 8.067 13.063 240 H TYR 33 H TYR 33 1.630 5.282 11.471 241 HA TYR 33 HA TYR 33 0.152 2.866 11.959 242 HB2 TYR 33 HB2 TYR 33 -0.978 4.988 11.248 243 HB3 TYR 33 HB1 TYR 33 -0.213 4.829 9.667 244 HD1 TYR 33 HD1 TYR 33 -1.188 3.389 7.983 245 HD2 TYR 33 HD2 TYR 33 -2.591 3.150 12.014 246 HE1 TYR 33 HE1 TYR 33 -2.993 1.876 7.270 247 HE2 TYR 33 HE2 TYR 33 -4.404 1.656 11.293 248 HH TYR 33 HH TYR 33 -4.445 0.144 8.264 249 H LEU 34 H LEU 34 2.197 4.078 9.297 250 HA LEU 34 HA LEU 34 2.117 1.794 7.621 251 HB2 LEU 34 HB3 LEU 34 4.329 3.855 7.953 252 HB3 LEU 34 HB2 LEU 34 4.225 2.707 6.626 253 HG LEU 34 HG LEU 34 2.232 4.946 7.181 254 HD11 LEU 34 HD11 LEU 34 4.362 4.724 5.034 255 HD12 LEU 34 HD12 LEU 34 4.381 5.811 6.425 256 HD13 LEU 34 HD13 LEU 34 3.159 6.011 5.174 257 HD21 LEU 34 HD21 LEU 34 2.329 2.986 4.855 258 HD22 LEU 34 HD22 LEU 34 1.264 4.391 4.966 259 HD23 LEU 34 HD23 LEU 34 1.093 3.064 6.115 260 H ARG 35 H ARG 35 4.369 2.725 10.231 261 HA ARG 35 HA ARG 35 6.000 0.395 10.212 262 HB2 ARG 35 HB3 ARG 35 5.310 2.323 12.460 263 HB3 ARG 35 HB2 ARG 35 6.587 1.108 12.566 264 HG2 ARG 35 HG3 ARG 35 7.919 2.187 10.934 265 HG3 ARG 35 HG2 ARG 35 6.573 3.158 10.340 266 HD2 ARG 35 HD3 ARG 35 8.065 4.581 11.572 267 HD3 ARG 35 HD2 ARG 35 6.573 4.413 12.493 268 HE ARG 35 HE ARG 35 8.102 2.544 13.637 269 HH11 ARG 35 HH11 ARG 35 8.921 5.796 12.780 270 HH12 ARG 35 HH12 ARG 35 9.959 6.002 14.143 271 HH21 ARG 35 HH21 ARG 35 9.412 2.839 15.366 272 HH22 ARG 35 HH22 ARG 35 10.236 4.343 15.599 273 H GLN 36 H GLN 36 3.037 1.123 12.103 274 HA GLN 36 HA GLN 36 2.925 -1.175 13.719 275 HB2 GLN 36 HB3 GLN 36 1.511 0.855 14.055 276 HB3 GLN 36 HB2 GLN 36 0.578 0.436 12.624 277 HG2 GLN 36 HG3 GLN 36 -0.094 -1.700 13.803 278 HG3 GLN 36 HG2 GLN 36 0.702 -1.080 15.249 279 HE21 GLN 36 HE21 GLN 36 -1.236 -1.068 16.412 280 HE22 GLN 36 HE22 GLN 36 -2.489 0.080 16.108 281 H CYS 37 H CYS 37 1.520 -0.600 10.493 282 HA CYS 37 HA CYS 37 0.389 -3.259 10.245 283 HB2 CYS 37 HB3 CYS 37 -0.651 -1.216 9.204 284 HB3 CYS 37 HB2 CYS 37 0.702 -1.150 8.078 285 HG CYS 37 HG CYS 37 -2.040 -3.030 8.000 286 H LYS 38 H LYS 38 3.522 -2.244 10.116 287 HA LYS 38 HA LYS 38 5.455 -3.255 9.602 288 HB2 LYS 38 HB3 LYS 38 3.698 -5.661 8.972 289 HB3 LYS 38 HB2 LYS 38 5.450 -5.723 9.146 290 HG2 LYS 38 HG3 LYS 38 3.478 -4.947 11.325 291 HG3 LYS 38 HG2 LYS 38 4.288 -6.506 11.178 292 HD2 LYS 38 HD3 LYS 38 5.779 -3.876 11.555 293 HD3 LYS 38 HD2 LYS 38 5.259 -4.893 12.894 294 HE2 LYS 38 HE3 LYS 38 7.589 -5.335 12.453 295 HE3 LYS 38 HE2 LYS 38 6.665 -6.753 11.973 296 HZ1 LYS 38 HZ1 LYS 38 6.904 -6.135 9.685 297 HZ2 LYS 38 HZ2 LYS 38 8.433 -6.126 10.405 298 HZ3 LYS 38 HZ3 LYS 38 7.639 -4.666 10.097 299 H VAL 39 H VAL 39 3.719 -2.003 7.358 300 HA VAL 39 HA VAL 39 4.808 -3.244 4.948 301 HB VAL 39 HB VAL 39 3.532 -1.544 3.695 302 HG11 VAL 39 HG11 VAL 39 2.410 -3.619 4.396 303 HG12 VAL 39 HG12 VAL 39 1.268 -2.279 4.349 304 HG13 VAL 39 HG13 VAL 39 1.889 -2.853 5.899 305 HG21 VAL 39 HG21 VAL 39 2.726 -0.400 6.409 306 HG22 VAL 39 HG22 VAL 39 2.055 0.093 4.850 307 HG23 VAL 39 HG23 VAL 39 3.755 0.391 5.214 308 H LEU 40 H LEU 40 5.545 -0.552 7.047 309 HA LEU 40 HA LEU 40 7.900 0.143 5.373 310 HB2 LEU 40 HB3 LEU 40 6.192 1.975 5.544 311 HB3 LEU 40 HB2 LEU 40 6.392 1.966 7.288 312 HG LEU 40 HG LEU 40 8.778 2.661 7.005 313 HD11 LEU 40 HD11 LEU 40 9.598 3.445 4.832 314 HD12 LEU 40 HD12 LEU 40 8.116 2.888 4.050 315 HD13 LEU 40 HD13 LEU 40 9.223 1.723 4.782 316 HD21 LEU 40 HD21 LEU 40 7.051 4.351 7.401 317 HD22 LEU 40 HD22 LEU 40 6.773 4.501 5.666 318 HD23 LEU 40 HD23 LEU 40 8.323 4.982 6.358 319 H ASN 41 H ASN 41 9.800 -0.323 6.293 320 HA ASN 41 HA ASN 41 9.897 -1.404 9.022 321 HB2 ASN 41 HB3 ASN 41 11.936 -1.462 6.760 322 HB3 ASN 41 HB2 ASN 41 12.056 -2.368 8.268 323 HD21 ASN 41 HD21 ASN 41 11.890 -3.240 5.426 324 HD22 ASN 41 HD22 ASN 41 10.575 -4.360 5.370 325 HA PRO 42 HA PRO 42 12.028 1.858 11.271 326 HB2 PRO 42 HB3 PRO 42 14.258 -0.179 11.547 327 HB3 PRO 42 HB2 PRO 42 13.594 0.920 12.770 328 HG2 PRO 42 HG3 PRO 42 12.818 -1.622 12.723 329 HG3 PRO 42 HG2 PRO 42 11.617 -0.343 13.011 330 HD2 PRO 42 HD3 PRO 42 12.066 -2.005 10.560 331 HD3 PRO 42 HD2 PRO 42 10.565 -1.279 11.174 332 H ASP 43 H ASP 43 14.350 0.087 9.163 333 HA ASP 43 HA ASP 43 16.207 2.234 8.876 334 HB2 ASP 43 HB3 ASP 43 16.792 -0.165 8.560 335 HB3 ASP 43 HB2 ASP 43 15.795 -0.218 7.111 336 H ASP 44 H ASP 44 13.649 0.991 6.740 337 HA ASP 44 HA ASP 44 13.983 2.853 4.601 338 HB2 ASP 44 HB3 ASP 44 11.551 1.181 5.348 339 HB3 ASP 44 HB2 ASP 44 11.853 1.923 3.775 340 H GLU 45 H GLU 45 12.253 2.950 7.588 341 HA GLU 45 HA GLU 45 10.608 5.241 7.075 342 HB2 GLU 45 HB3 GLU 45 9.965 3.603 8.793 343 HB3 GLU 45 HB2 GLU 45 11.458 3.891 9.673 344 HG2 GLU 45 HG3 GLU 45 9.653 5.007 10.812 345 HG3 GLU 45 HG2 GLU 45 10.723 6.223 10.125 346 H GLU 46 H GLU 46 13.713 4.627 8.696 347 HA GLU 46 HA GLU 46 14.298 7.196 9.643 348 HB2 GLU 46 HB3 GLU 46 15.541 5.129 10.294 349 HB3 GLU 46 HB2 GLU 46 16.265 5.063 8.694 350 HG2 GLU 46 HG3 GLU 46 17.862 5.965 10.287 351 HG3 GLU 46 HG2 GLU 46 17.410 7.209 9.123 352 H GLN 47 H GLN 47 14.824 5.743 6.464 353 HA GLN 47 HA GLN 47 16.246 7.621 5.035 354 HB2 GLN 47 HB3 GLN 47 15.460 5.502 4.067 355 HB3 GLN 47 HB2 GLN 47 13.789 6.031 4.184 356 HG2 GLN 47 HG3 GLN 47 14.433 6.203 1.895 357 HG3 GLN 47 HG2 GLN 47 14.308 7.845 2.523 358 HE21 GLN 47 HE21 GLN 47 16.434 5.384 1.348 359 HE22 GLN 47 HE22 GLN 47 17.823 6.382 1.135 360 H VAL 48 H VAL 48 12.761 7.689 5.754 361 HA VAL 48 HA VAL 48 12.257 10.221 4.434 362 HB VAL 48 HB VAL 48 10.487 8.491 6.224 363 HG11 VAL 48 HG11 VAL 48 9.661 10.801 6.218 364 HG12 VAL 48 HG12 VAL 48 8.572 9.764 5.296 365 HG13 VAL 48 HG13 VAL 48 9.693 10.835 4.454 366 HG21 VAL 48 HG21 VAL 48 9.456 7.701 4.116 367 HG22 VAL 48 HG22 VAL 48 11.183 7.332 4.151 368 HG23 VAL 48 HG23 VAL 48 10.590 8.683 3.182 369 H LEU 49 H LEU 49 12.178 9.089 7.823 370 HA LEU 49 HA LEU 49 11.696 11.596 9.040 371 HB2 LEU 49 HB3 LEU 49 12.629 8.955 10.188 372 HB3 LEU 49 HB2 LEU 49 12.348 10.369 11.194 373 HG LEU 49 HG LEU 49 10.257 8.893 9.542 374 HD11 LEU 49 HD11 LEU 49 10.870 7.699 11.575 375 HD12 LEU 49 HD12 LEU 49 9.236 8.344 11.706 376 HD13 LEU 49 HD13 LEU 49 10.569 9.141 12.548 377 HD21 LEU 49 HD21 LEU 49 9.758 11.289 9.493 378 HD22 LEU 49 HD22 LEU 49 9.888 11.379 11.252 379 HD23 LEU 49 HD23 LEU 49 8.594 10.437 10.506 380 H SER 50 H SER 50 14.635 10.426 7.744 381 HA SER 50 HA SER 50 16.520 11.760 9.366 382 HB2 SER 50 HB3 SER 50 17.173 10.198 7.556 383 HB3 SER 50 HB2 SER 50 16.627 11.353 6.341 384 HG SER 50 HG SER 50 18.471 12.306 8.203 385 H ASP 51 H ASP 51 14.235 13.071 7.040 386 HA ASP 51 HA ASP 51 14.641 15.734 8.091 387 HB2 ASP 51 HB3 ASP 51 14.844 16.757 5.717 388 HB3 ASP 51 HB2 ASP 51 16.285 16.044 6.427 389 HA PRO 52 HA PRO 52 10.235 14.798 6.860 390 HB2 PRO 52 HB3 PRO 52 9.111 14.377 9.241 391 HB3 PRO 52 HB2 PRO 52 10.218 13.173 8.567 392 HG2 PRO 52 HG3 PRO 52 10.720 15.234 10.704 393 HG3 PRO 52 HG2 PRO 52 11.272 13.547 10.620 394 HD2 PRO 52 HD3 PRO 52 12.774 15.830 9.845 395 HD3 PRO 52 HD2 PRO 52 13.166 14.142 9.455 396 H ASN 53 H ASN 53 11.653 17.407 8.552 397 HA ASN 53 HA ASN 53 9.152 18.982 8.690 398 HB2 ASN 53 HB3 ASN 53 11.923 19.480 9.848 399 HB3 ASN 53 HB2 ASN 53 10.610 20.654 9.941 400 HD21 ASN 53 HD21 ASN 53 8.910 20.284 11.356 401 HD22 ASN 53 HD22 ASN 53 8.933 19.028 12.535 402 H LEU 54 H LEU 54 12.100 18.653 6.865 403 HA LEU 54 HA LEU 54 12.024 21.218 5.565 404 HB2 LEU 54 HB3 LEU 54 13.392 18.640 4.693 405 HB3 LEU 54 HB2 LEU 54 13.694 20.231 4.011 406 HG LEU 54 HG LEU 54 14.386 19.297 6.823 407 HD11 LEU 54 HD11 LEU 54 16.196 20.120 4.530 408 HD12 LEU 54 HD12 LEU 54 15.930 18.477 5.116 409 HD13 LEU 54 HD13 LEU 54 16.714 19.660 6.156 410 HD21 LEU 54 HD21 LEU 54 13.661 21.618 6.974 411 HD22 LEU 54 HD22 LEU 54 14.732 22.079 5.649 412 HD23 LEU 54 HD23 LEU 54 15.406 21.521 7.183 413 H VAL 55 H VAL 55 11.697 21.486 3.191 414 HA VAL 55 HA VAL 55 9.235 20.476 2.178 415 HB VAL 55 HB VAL 55 9.777 21.645 0.078 416 HG11 VAL 55 HG11 VAL 55 10.070 23.941 0.954 417 HG12 VAL 55 HG12 VAL 55 10.592 23.284 2.506 418 HG13 VAL 55 HG13 VAL 55 8.943 23.007 1.942 419 HG21 VAL 55 HG21 VAL 55 12.156 21.030 -0.151 420 HG22 VAL 55 HG22 VAL 55 12.576 22.055 1.221 421 HG23 VAL 55 HG23 VAL 55 11.964 22.780 -0.268 422 H ILE 56 H ILE 56 12.388 19.159 2.133 423 HA ILE 56 HA ILE 56 12.357 17.541 -0.203 424 HB ILE 56 HB ILE 56 13.908 17.057 2.391 425 HG12 ILE 56 HG12 ILE 56 14.740 18.733 -0.033 426 HG13 ILE 56 HG11 ILE 56 14.231 19.390 1.519 427 HG21 ILE 56 HG21 ILE 56 15.576 15.911 0.949 428 HG22 ILE 56 HG22 ILE 56 14.527 16.145 -0.450 429 HG23 ILE 56 HG23 ILE 56 14.003 15.115 0.884 430 HD11 ILE 56 HD11 ILE 56 16.194 18.362 2.578 431 HD12 ILE 56 HD12 ILE 56 16.630 19.476 1.284 432 HD13 ILE 56 HD13 ILE 56 16.703 17.737 1.007 433 H ARG 57 H ARG 57 10.762 17.218 2.860 434 HA ARG 57 HA ARG 57 10.221 14.500 3.065 435 HB2 ARG 57 HB3 ARG 57 9.541 16.177 4.761 436 HB3 ARG 57 HB2 ARG 57 8.339 16.823 3.651 437 HG2 ARG 57 HG3 ARG 57 7.184 14.585 3.696 438 HG3 ARG 57 HG2 ARG 57 8.335 14.069 4.930 439 HD2 ARG 57 HD3 ARG 57 6.258 14.751 5.986 440 HD3 ARG 57 HD2 ARG 57 7.523 15.901 6.410 441 HE ARG 57 HE ARG 57 5.318 16.372 4.493 442 HH11 ARG 57 HH11 ARG 57 7.801 17.725 6.504 443 HH12 ARG 57 HH12 ARG 57 7.158 19.325 6.376 444 HH21 ARG 57 HH21 ARG 57 4.521 18.426 4.382 445 HH22 ARG 57 HH22 ARG 57 5.344 19.711 5.199 446 H LYS 58 H LYS 58 8.750 16.898 0.880 447 HA LYS 58 HA LYS 58 6.693 15.385 -0.281 448 HB2 LYS 58 HB3 LYS 58 6.953 17.788 -0.722 449 HB3 LYS 58 HB2 LYS 58 8.478 17.503 -1.559 450 HG2 LYS 58 HG3 LYS 58 7.250 16.192 -3.288 451 HG3 LYS 58 HG2 LYS 58 5.736 16.560 -2.461 452 HD2 LYS 58 HD3 LYS 58 6.077 18.964 -2.911 453 HD3 LYS 58 HD2 LYS 58 7.607 18.600 -3.715 454 HE2 LYS 58 HE3 LYS 58 6.374 17.249 -5.403 455 HE3 LYS 58 HE2 LYS 58 4.853 17.672 -4.613 456 HZ1 LYS 58 HZ1 LYS 58 5.292 19.988 -5.106 457 HZ2 LYS 58 HZ2 LYS 58 5.285 19.072 -6.523 458 HZ3 LYS 58 HZ3 LYS 58 6.750 19.583 -5.856 459 H ARG 59 H ARG 59 10.108 15.658 -1.266 460 HA ARG 59 HA ARG 59 10.131 13.757 -3.369 461 HB2 ARG 59 HB3 ARG 59 11.912 15.445 -2.978 462 HB3 ARG 59 HB2 ARG 59 12.375 14.622 -1.495 463 HG2 ARG 59 HG3 ARG 59 13.158 12.691 -2.763 464 HG3 ARG 59 HG2 ARG 59 12.576 13.405 -4.270 465 HD2 ARG 59 HD3 ARG 59 14.185 15.291 -3.967 466 HD3 ARG 59 HD2 ARG 59 14.781 14.515 -2.495 467 HE ARG 59 HE ARG 59 15.044 12.616 -4.463 468 HH11 ARG 59 HH11 ARG 59 16.302 15.829 -4.059 469 HH12 ARG 59 HH12 ARG 59 17.753 15.460 -4.919 470 HH21 ARG 59 HH21 ARG 59 16.890 12.200 -5.555 471 HH22 ARG 59 HH22 ARG 59 18.079 13.439 -5.760 472 H LYS 60 H LYS 60 10.585 13.469 0.132 473 HA LYS 60 HA LYS 60 11.251 10.702 0.217 474 HB2 LYS 60 HB3 LYS 60 10.198 12.522 2.417 475 HB3 LYS 60 HB2 LYS 60 10.774 10.877 2.682 476 HG2 LYS 60 HG3 LYS 60 12.420 13.205 1.644 477 HG3 LYS 60 HG2 LYS 60 12.505 12.502 3.263 478 HD2 LYS 60 HD3 LYS 60 13.318 10.368 2.306 479 HD3 LYS 60 HD2 LYS 60 13.187 11.034 0.674 480 HE2 LYS 60 HE3 LYS 60 15.512 11.062 1.485 481 HE3 LYS 60 HE2 LYS 60 14.913 12.701 1.203 482 HZ1 LYS 60 HZ1 LYS 60 14.529 12.944 3.554 483 HZ2 LYS 60 HZ2 LYS 60 16.137 12.508 3.281 484 HZ3 LYS 60 HZ3 LYS 60 15.041 11.359 3.840 485 H VAL 61 H VAL 61 8.101 12.345 0.121 486 HA VAL 61 HA VAL 61 6.520 10.029 0.669 487 HB VAL 61 HB VAL 61 5.694 12.186 -1.321 488 HG11 VAL 61 HG11 VAL 61 4.004 10.361 0.434 489 HG12 VAL 61 HG12 VAL 61 4.240 10.193 -1.305 490 HG13 VAL 61 HG13 VAL 61 3.381 11.595 -0.667 491 HG21 VAL 61 HG21 VAL 61 5.359 12.273 1.669 492 HG22 VAL 61 HG22 VAL 61 4.623 13.400 0.531 493 HG23 VAL 61 HG23 VAL 61 6.377 13.330 0.699 494 H GLY 62 H GLY 62 7.892 11.356 -2.357 495 HA2 GLY 62 HA3 GLY 62 7.089 9.364 -4.176 496 HA3 GLY 62 HA2 GLY 62 8.530 10.354 -4.328 497 H VAL 63 H VAL 63 9.975 9.481 -2.076 498 HA VAL 63 HA VAL 63 11.109 6.976 -2.826 499 HB VAL 63 HB VAL 63 11.351 8.393 -0.128 500 HG11 VAL 63 HG11 VAL 63 12.141 6.062 -0.014 501 HG12 VAL 63 HG12 VAL 63 13.498 7.180 0.106 502 HG13 VAL 63 HG13 VAL 63 13.192 6.328 -1.409 503 HG21 VAL 63 HG21 VAL 63 13.095 8.692 -2.606 504 HG22 VAL 63 HG22 VAL 63 13.418 9.419 -1.030 505 HG23 VAL 63 HG23 VAL 63 11.995 9.904 -1.948 506 H LEU 64 H LEU 64 8.772 7.896 -0.326 507 HA LEU 64 HA LEU 64 8.501 5.470 1.050 508 HB2 LEU 64 HB3 LEU 64 7.617 7.573 1.931 509 HB3 LEU 64 HB2 LEU 64 6.495 7.707 0.588 510 HG LEU 64 HG LEU 64 5.290 5.667 1.425 511 HD11 LEU 64 HD11 LEU 64 7.150 5.873 3.807 512 HD12 LEU 64 HD12 LEU 64 7.094 4.564 2.621 513 HD13 LEU 64 HD13 LEU 64 5.725 4.838 3.692 514 HD21 LEU 64 HD21 LEU 64 4.154 6.761 3.302 515 HD22 LEU 64 HD22 LEU 64 4.457 7.910 2.002 516 HD23 LEU 64 HD23 LEU 64 5.472 7.927 3.446 517 H LEU 65 H LEU 65 6.621 6.713 -1.723 518 HA LEU 65 HA LEU 65 4.771 4.586 -1.946 519 HB2 LEU 65 HB3 LEU 65 5.740 6.496 -4.112 520 HB3 LEU 65 HB2 LEU 65 4.297 5.496 -4.213 521 HG LEU 65 HG LEU 65 4.743 7.797 -2.272 522 HD11 LEU 65 HD11 LEU 65 4.333 8.580 -4.544 523 HD12 LEU 65 HD12 LEU 65 2.970 8.955 -3.495 524 HD13 LEU 65 HD13 LEU 65 2.859 7.611 -4.636 525 HD21 LEU 65 HD21 LEU 65 2.431 7.455 -1.546 526 HD22 LEU 65 HD22 LEU 65 3.429 6.050 -1.195 527 HD23 LEU 65 HD23 LEU 65 2.309 6.016 -2.562 528 H ASP 66 H ASP 66 7.943 5.133 -3.396 529 HA ASP 66 HA ASP 66 8.134 2.933 -5.133 530 HB2 ASP 66 HB3 ASP 66 9.748 4.808 -5.109 531 HB3 ASP 66 HB2 ASP 66 10.307 4.335 -3.511 532 H ILE 67 H ILE 67 9.171 3.210 -1.714 533 HA ILE 67 HA ILE 67 10.014 0.545 -1.295 534 HB ILE 67 HB ILE 67 8.962 2.572 0.733 535 HG12 ILE 67 HG12 ILE 67 11.870 1.969 0.009 536 HG13 ILE 67 HG11 ILE 67 10.959 3.320 -0.654 537 HG21 ILE 67 HG21 ILE 67 8.949 0.328 1.731 538 HG22 ILE 67 HG22 ILE 67 10.232 1.301 2.450 539 HG23 ILE 67 HG23 ILE 67 10.627 0.076 1.243 540 HD11 ILE 67 HD11 ILE 67 11.618 2.915 2.267 541 HD12 ILE 67 HD12 ILE 67 10.738 4.283 1.580 542 HD13 ILE 67 HD13 ILE 67 12.429 4.018 1.155 543 H LEU 68 H LEU 68 6.845 2.092 -0.721 544 HA LEU 68 HA LEU 68 5.567 -0.181 0.438 545 HB2 LEU 68 HB3 LEU 68 4.385 2.341 -0.768 546 HB3 LEU 68 HB2 LEU 68 3.431 1.111 0.048 547 HG LEU 68 HG LEU 68 5.554 2.890 1.312 548 HD11 LEU 68 HD11 LEU 68 3.681 3.804 2.623 549 HD12 LEU 68 HD12 LEU 68 2.550 2.786 1.728 550 HD13 LEU 68 HD13 LEU 68 3.454 4.052 0.892 551 HD21 LEU 68 HD21 LEU 68 5.000 1.828 3.459 552 HD22 LEU 68 HD22 LEU 68 5.674 0.657 2.329 553 HD23 LEU 68 HD23 LEU 68 3.935 0.683 2.636 554 H GLN 69 H GLN 69 5.972 0.930 -2.881 555 HA GLN 69 HA GLN 69 4.118 -0.898 -4.089 556 HB2 GLN 69 HB3 GLN 69 4.957 1.152 -5.235 557 HB3 GLN 69 HB2 GLN 69 6.569 0.447 -5.307 558 HG2 GLN 69 HG3 GLN 69 5.665 -1.384 -6.742 559 HG3 GLN 69 HG2 GLN 69 4.085 -0.598 -6.708 560 HE21 GLN 69 HE21 GLN 69 3.815 1.352 -7.864 561 HE22 GLN 69 HE22 GLN 69 4.922 1.847 -9.088 562 H ARG 70 H ARG 70 7.538 -1.132 -3.150 563 HA ARG 70 HA ARG 70 8.193 -3.612 -4.368 564 HB2 ARG 70 HB3 ARG 70 9.280 -2.477 -1.760 565 HB3 ARG 70 HB2 ARG 70 10.019 -3.768 -2.707 566 HG2 ARG 70 HG3 ARG 70 10.416 -2.192 -4.559 567 HG3 ARG 70 HG2 ARG 70 9.650 -0.903 -3.631 568 HD2 ARG 70 HD3 ARG 70 11.408 -1.154 -1.885 569 HD3 ARG 70 HD2 ARG 70 12.192 -2.383 -2.887 570 HE ARG 70 HE ARG 70 11.762 0.280 -4.032 571 HH11 ARG 70 HH11 ARG 70 14.011 -2.008 -2.746 572 HH12 ARG 70 HH12 ARG 70 15.379 -1.108 -3.284 573 HH21 ARG 70 HH21 ARG 70 13.511 1.394 -4.711 574 HH22 ARG 70 HH22 ARG 70 15.100 0.796 -4.396 575 H THR 71 H THR 71 6.645 -2.848 -1.285 576 HA THR 71 HA THR 71 6.012 -5.703 -0.790 577 HB THR 71 HB THR 71 6.915 -4.483 1.155 578 HG1 THR 71 HG1 THR 71 4.994 -4.865 2.564 579 HG21 THR 71 HG21 THR 71 6.156 -2.188 0.665 580 HG22 THR 71 HG22 THR 71 5.642 -2.690 2.276 581 HG23 THR 71 HG23 THR 71 4.481 -2.670 0.949 582 H GLY 72 H GLY 72 4.830 -4.009 -2.944 583 HA2 GLY 72 HA3 GLY 72 2.649 -2.536 -2.661 584 HA3 GLY 72 HA2 GLY 72 2.829 -3.644 -3.997 585 H HIS 73 H HIS 73 2.365 -6.100 -2.464 586 HA HIS 73 HA HIS 73 -0.448 -6.184 -2.666 587 HB2 HIS 73 HB2 HIS 73 1.281 -8.145 -2.814 588 HB3 HIS 73 HB1 HIS 73 1.110 -8.254 -1.065 589 HD1 HIS 73 HD1 HIS 73 -1.008 -9.397 -0.195 590 HD2 HIS 73 HD2 HIS 73 -1.108 -8.702 -4.288 591 HE1 HIS 73 HE1 HIS 73 -3.022 -10.632 -1.044 592 HE2 HIS 73 HE2 HIS 73 -3.166 -10.021 -3.471 593 H LYS 74 H LYS 74 1.632 -6.112 0.259 594 HA LYS 74 HA LYS 74 -0.627 -5.574 2.027 595 HB2 LYS 74 HB3 LYS 74 2.039 -6.574 2.414 596 HB3 LYS 74 HB2 LYS 74 1.957 -5.072 3.315 597 HG2 LYS 74 HG3 LYS 74 0.114 -7.461 3.622 598 HG3 LYS 74 HG2 LYS 74 1.398 -6.984 4.737 599 HD2 LYS 74 HD3 LYS 74 0.180 -4.902 5.265 600 HD3 LYS 74 HD2 LYS 74 -1.081 -5.319 4.100 601 HE2 LYS 74 HE3 LYS 74 -0.413 -6.857 6.635 602 HE3 LYS 74 HE2 LYS 74 -1.811 -5.811 6.389 603 HZ1 LYS 74 HZ1 LYS 74 -2.424 -8.108 6.105 604 HZ2 LYS 74 HZ2 LYS 74 -1.233 -8.329 4.929 605 HZ3 LYS 74 HZ3 LYS 74 -2.545 -7.310 4.619 606 H GLY 75 H GLY 75 2.017 -3.789 0.529 607 HA2 GLY 75 HA3 GLY 75 2.025 -1.432 2.030 608 HA3 GLY 75 HA2 GLY 75 2.640 -1.604 0.397 609 H TYR 76 H TYR 76 0.416 -2.076 -1.094 610 HA TYR 76 HA TYR 76 -0.812 0.426 -1.463 611 HB2 TYR 76 HB2 TYR 76 -0.596 -1.270 -3.268 612 HB3 TYR 76 HB1 TYR 76 -1.755 -2.309 -2.449 613 HD1 TYR 76 HD1 TYR 76 -3.941 -2.271 -3.337 614 HD2 TYR 76 HD2 TYR 76 -1.551 1.263 -3.639 615 HE1 TYR 76 HE1 TYR 76 -5.770 -1.132 -4.514 616 HE2 TYR 76 HE2 TYR 76 -3.383 2.397 -4.815 617 HH TYR 76 HH TYR 76 -6.541 1.162 -4.925 618 H VAL 77 H VAL 77 -2.066 -2.548 0.051 619 HA VAL 77 HA VAL 77 -4.671 -1.718 0.677 620 HB VAL 77 HB VAL 77 -2.871 -3.702 2.148 621 HG11 VAL 77 HG11 VAL 77 -5.885 -3.354 2.412 622 HG12 VAL 77 HG12 VAL 77 -4.686 -3.014 3.660 623 HG13 VAL 77 HG13 VAL 77 -4.943 -4.671 3.117 624 HG21 VAL 77 HG21 VAL 77 -4.110 -5.422 0.866 625 HG22 VAL 77 HG22 VAL 77 -3.283 -4.290 -0.206 626 HG23 VAL 77 HG23 VAL 77 -5.025 -4.154 0.045 627 H ALA 78 H ALA 78 -1.847 -1.770 2.888 628 HA ALA 78 HA ALA 78 -3.046 -0.410 5.049 629 HB1 ALA 78 HB1 ALA 78 -1.032 -1.803 5.269 630 HB2 ALA 78 HB2 ALA 78 -0.778 -0.194 5.942 631 HB3 ALA 78 HB3 ALA 78 -0.102 -0.608 4.364 632 H PHE 79 H PHE 79 -1.351 0.838 2.189 633 HA PHE 79 HA PHE 79 -1.089 3.529 3.100 634 HB2 PHE 79 HB2 PHE 79 0.188 2.544 1.146 635 HB3 PHE 79 HB1 PHE 79 -1.295 2.619 0.196 636 HD1 PHE 79 HD1 PHE 79 -1.271 4.431 -1.332 637 HD2 PHE 79 HD2 PHE 79 0.517 4.947 2.522 638 HE1 PHE 79 HE1 PHE 79 -0.754 6.781 -1.873 639 HE2 PHE 79 HE2 PHE 79 1.028 7.279 1.980 640 HZ PHE 79 HZ PHE 79 0.393 8.208 -0.219 641 H LEU 80 H LEU 80 -3.613 1.896 1.122 642 HA LEU 80 HA LEU 80 -5.348 4.101 0.799 643 HB2 LEU 80 HB3 LEU 80 -6.058 1.156 1.008 644 HB3 LEU 80 HB2 LEU 80 -7.174 2.411 0.495 645 HG LEU 80 HG LEU 80 -4.713 1.430 -0.992 646 HD11 LEU 80 HD11 LEU 80 -6.357 0.764 -2.705 647 HD12 LEU 80 HD12 LEU 80 -7.669 1.313 -1.662 648 HD13 LEU 80 HD13 LEU 80 -6.648 -0.036 -1.162 649 HD21 LEU 80 HD21 LEU 80 -4.834 3.862 -1.290 650 HD22 LEU 80 HD22 LEU 80 -6.534 3.748 -1.754 651 HD23 LEU 80 HD23 LEU 80 -5.284 3.036 -2.781 652 H GLU 81 H GLU 81 -5.175 1.660 3.382 653 HA GLU 81 HA GLU 81 -7.350 2.493 4.967 654 HB2 GLU 81 HB3 GLU 81 -4.743 1.175 5.830 655 HB3 GLU 81 HB2 GLU 81 -6.190 1.288 6.827 656 HG2 GLU 81 HG3 GLU 81 -5.944 -0.225 4.212 657 HG3 GLU 81 HG2 GLU 81 -5.931 -0.935 5.823 658 H SER 82 H SER 82 -3.896 3.484 5.082 659 HA SER 82 HA SER 82 -4.130 5.250 7.303 660 HB2 SER 82 HB3 SER 82 -1.927 6.098 6.696 661 HB3 SER 82 HB2 SER 82 -1.942 4.355 6.461 662 HG SER 82 HG SER 82 -1.765 4.614 4.364 663 H LEU 83 H LEU 83 -4.422 5.795 3.791 664 HA LEU 83 HA LEU 83 -4.810 8.624 4.002 665 HB2 LEU 83 HB3 LEU 83 -5.627 6.777 1.734 666 HB3 LEU 83 HB2 LEU 83 -5.601 8.534 1.666 667 HG LEU 83 HG LEU 83 -3.272 6.612 1.706 668 HD11 LEU 83 HD11 LEU 83 -4.137 7.216 -0.470 669 HD12 LEU 83 HD12 LEU 83 -2.546 7.942 -0.240 670 HD13 LEU 83 HD13 LEU 83 -3.996 8.936 -0.089 671 HD21 LEU 83 HD21 LEU 83 -1.716 8.500 2.030 672 HD22 LEU 83 HD22 LEU 83 -2.703 8.204 3.456 673 HD23 LEU 83 HD23 LEU 83 -3.079 9.564 2.393 674 H GLU 84 H GLU 84 -7.013 5.871 4.153 675 HA GLU 84 HA GLU 84 -9.429 7.379 3.916 676 HB2 GLU 84 HB3 GLU 84 -9.356 4.938 3.557 677 HB3 GLU 84 HB2 GLU 84 -8.921 4.691 5.248 678 HG2 GLU 84 HG3 GLU 84 -11.120 5.662 5.920 679 HG3 GLU 84 HG2 GLU 84 -11.543 5.820 4.217 680 H LEU 85 H LEU 85 -7.457 6.334 6.671 681 HA LEU 85 HA LEU 85 -9.232 7.305 8.709 682 HB2 LEU 85 HB3 LEU 85 -6.346 6.364 8.826 683 HB3 LEU 85 HB2 LEU 85 -7.306 6.753 10.246 684 HG LEU 85 HG LEU 85 -7.952 4.519 8.274 685 HD11 LEU 85 HD11 LEU 85 -5.914 4.005 9.524 686 HD12 LEU 85 HD12 LEU 85 -7.239 2.964 10.038 687 HD13 LEU 85 HD13 LEU 85 -6.744 4.323 11.050 688 HD21 LEU 85 HD21 LEU 85 -9.254 5.213 10.934 689 HD22 LEU 85 HD22 LEU 85 -9.621 3.798 9.943 690 HD23 LEU 85 HD23 LEU 85 -9.975 5.412 9.334 691 H TYR 86 H TYR 86 -6.270 8.588 7.188 692 HA TYR 86 HA TYR 86 -6.247 10.884 9.050 693 HB2 TYR 86 HB2 TYR 86 -4.123 9.840 7.143 694 HB3 TYR 86 HB1 TYR 86 -3.943 11.296 8.111 695 HD1 TYR 86 HD1 TYR 86 -3.122 11.147 10.358 696 HD2 TYR 86 HD2 TYR 86 -4.442 7.578 8.416 697 HE1 TYR 86 HE1 TYR 86 -2.179 9.795 12.180 698 HE2 TYR 86 HE2 TYR 86 -3.498 6.228 10.235 699 HH TYR 86 HH TYR 86 -1.748 6.438 11.965 700 H TYR 87 H TYR 87 -6.474 10.215 5.531 701 HA TYR 87 HA TYR 87 -7.074 13.106 5.015 702 HB2 TYR 87 HB2 TYR 87 -5.495 11.183 3.221 703 HB3 TYR 87 HB1 TYR 87 -5.929 12.831 2.796 704 HD1 TYR 87 HD1 TYR 87 -3.686 10.746 4.869 705 HD2 TYR 87 HD2 TYR 87 -4.709 14.746 3.750 706 HE1 TYR 87 HE1 TYR 87 -1.586 11.564 5.867 707 HE2 TYR 87 HE2 TYR 87 -2.617 15.552 4.746 708 HH TYR 87 HH TYR 87 -0.979 14.883 6.424 709 HA PRO 88 HA PRO 88 -10.309 9.648 3.804 710 HB2 PRO 88 HB3 PRO 88 -12.622 11.056 4.578 711 HB3 PRO 88 HB2 PRO 88 -11.725 9.914 5.587 712 HG2 PRO 88 HG3 PRO 88 -11.530 12.923 5.494 713 HG3 PRO 88 HG2 PRO 88 -11.577 11.843 6.908 714 HD2 PRO 88 HD3 PRO 88 -9.251 12.868 6.091 715 HD3 PRO 88 HD2 PRO 88 -9.328 11.175 6.626 716 H GLN 89 H GLN 89 -11.003 13.134 3.229 717 HA GLN 89 HA GLN 89 -12.577 12.802 0.900 718 HB2 GLN 89 HB3 GLN 89 -12.221 15.210 0.499 719 HB3 GLN 89 HB2 GLN 89 -12.622 14.893 2.181 720 HG2 GLN 89 HG3 GLN 89 -10.291 15.187 2.838 721 HG3 GLN 89 HG2 GLN 89 -9.807 15.371 1.155 722 HE21 GLN 89 HE21 GLN 89 -8.901 17.411 1.605 723 HE22 GLN 89 HE22 GLN 89 -9.887 18.808 1.867 724 H LEU 90 H LEU 90 -9.076 13.210 1.308 725 HA LEU 90 HA LEU 90 -8.445 13.568 -1.454 726 HB2 LEU 90 HB3 LEU 90 -6.950 14.296 0.411 727 HB3 LEU 90 HB2 LEU 90 -6.646 12.608 0.799 728 HG LEU 90 HG LEU 90 -5.678 12.320 -1.534 729 HD11 LEU 90 HD11 LEU 90 -6.756 14.202 -2.650 730 HD12 LEU 90 HD12 LEU 90 -5.005 14.303 -2.792 731 HD13 LEU 90 HD13 LEU 90 -5.853 15.345 -1.648 732 HD21 LEU 90 HD21 LEU 90 -4.226 12.554 0.396 733 HD22 LEU 90 HD22 LEU 90 -4.296 14.313 0.271 734 HD23 LEU 90 HD23 LEU 90 -3.526 13.367 -1.003 735 H TYR 91 H TYR 91 -8.334 10.768 0.746 736 HA TYR 91 HA TYR 91 -7.517 8.730 -0.957 737 HB2 TYR 91 HB2 TYR 91 -7.790 8.239 1.384 738 HB3 TYR 91 HB1 TYR 91 -9.470 8.759 1.377 739 HD1 TYR 91 HD1 TYR 91 -11.149 7.092 1.305 740 HD2 TYR 91 HD2 TYR 91 -7.259 6.153 -0.207 741 HE1 TYR 91 HE1 TYR 91 -11.871 4.783 0.868 742 HE2 TYR 91 HE2 TYR 91 -7.992 3.854 -0.634 743 HH TYR 91 HH TYR 91 -11.239 2.920 -0.597 744 H LYS 92 H LYS 92 -10.837 9.835 -0.308 745 HA LYS 92 HA LYS 92 -12.190 8.156 -2.123 746 HB2 LYS 92 HB3 LYS 92 -13.129 9.473 -0.147 747 HB3 LYS 92 HB2 LYS 92 -13.102 10.899 -1.177 748 HG2 LYS 92 HG3 LYS 92 -14.682 9.775 -2.740 749 HG3 LYS 92 HG2 LYS 92 -14.712 8.371 -1.668 750 HD2 LYS 92 HD3 LYS 92 -15.584 9.871 0.170 751 HD3 LYS 92 HD2 LYS 92 -15.676 11.183 -1.009 752 HE2 LYS 92 HE3 LYS 92 -17.233 8.577 -1.073 753 HE3 LYS 92 HE2 LYS 92 -17.876 10.182 -0.729 754 HZ1 LYS 92 HZ1 LYS 92 -17.189 10.817 -3.019 755 HZ2 LYS 92 HZ2 LYS 92 -18.393 9.635 -2.964 756 HZ3 LYS 92 HZ3 LYS 92 -16.800 9.196 -3.314 757 H LYS 93 H LYS 93 -10.769 11.383 -2.557 758 HA LYS 93 HA LYS 93 -11.740 11.920 -5.177 759 HB2 LYS 93 HB3 LYS 93 -10.835 13.673 -3.693 760 HB3 LYS 93 HB2 LYS 93 -9.239 12.939 -3.770 761 HG2 LYS 93 HG3 LYS 93 -9.289 14.881 -5.209 762 HG3 LYS 93 HG2 LYS 93 -9.145 13.430 -6.205 763 HD2 LYS 93 HD3 LYS 93 -11.613 13.547 -6.656 764 HD3 LYS 93 HD2 LYS 93 -11.681 15.048 -5.728 765 HE2 LYS 93 HE3 LYS 93 -10.119 14.581 -8.289 766 HE3 LYS 93 HE2 LYS 93 -11.591 15.537 -8.120 767 HZ1 LYS 93 HZ1 LYS 93 -8.990 16.150 -6.823 768 HZ2 LYS 93 HZ2 LYS 93 -10.396 17.086 -6.719 769 HZ3 LYS 93 HZ3 LYS 93 -9.601 16.913 -8.202 770 H VAL 94 H VAL 94 -8.553 10.587 -4.115 771 HA VAL 94 HA VAL 94 -7.518 10.407 -6.787 772 HB VAL 94 HB VAL 94 -5.502 9.394 -5.813 773 HG11 VAL 94 HG11 VAL 94 -4.818 11.254 -4.332 774 HG12 VAL 94 HG12 VAL 94 -6.505 11.738 -4.147 775 HG13 VAL 94 HG13 VAL 94 -5.726 11.846 -5.727 776 HG21 VAL 94 HG21 VAL 94 -5.295 8.943 -3.384 777 HG22 VAL 94 HG22 VAL 94 -6.535 7.922 -4.114 778 HG23 VAL 94 HG23 VAL 94 -7.003 9.330 -3.160 779 H THR 95 H THR 95 -9.334 8.204 -4.798 780 HA THR 95 HA THR 95 -8.886 5.956 -6.679 781 HB THR 95 HB THR 95 -10.147 4.552 -5.082 782 HG1 THR 95 HG1 THR 95 -10.205 6.412 -3.037 783 HG21 THR 95 HG21 THR 95 -7.969 6.160 -3.694 784 HG22 THR 95 HG22 THR 95 -7.713 4.749 -4.725 785 HG23 THR 95 HG23 THR 95 -8.560 4.577 -3.187 786 H GLY 96 H GLY 96 -10.579 8.563 -7.006 787 HA2 GLY 96 HA3 GLY 96 -13.057 7.258 -8.032 788 HA3 GLY 96 HA2 GLY 96 -13.075 8.813 -7.227 789 H LYS 97 H LYS 97 -11.618 10.537 -8.291 790 HA LYS 97 HA LYS 97 -11.725 10.345 -11.256 791 HB2 LYS 97 HB3 LYS 97 -12.659 12.659 -9.519 792 HB3 LYS 97 HB2 LYS 97 -12.438 12.776 -11.263 793 HG2 LYS 97 HG3 LYS 97 -14.182 11.089 -11.626 794 HG3 LYS 97 HG2 LYS 97 -14.380 10.888 -9.882 795 HD2 LYS 97 HD3 LYS 97 -14.886 13.472 -11.411 796 HD3 LYS 97 HD2 LYS 97 -16.140 12.335 -10.913 797 HE2 LYS 97 HE3 LYS 97 -15.637 12.761 -8.554 798 HE3 LYS 97 HE2 LYS 97 -14.279 13.796 -8.999 799 HZ1 LYS 97 HZ1 LYS 97 -17.114 14.342 -9.688 800 HZ2 LYS 97 HZ2 LYS 97 -15.795 15.358 -9.985 801 HZ3 LYS 97 HZ3 LYS 97 -16.280 15.045 -8.395 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -16.112 -13.476 -8.170 2 H2 MET 1 HT2 MET 1 -15.110 -12.361 -8.958 3 H3 MET 1 HT3 MET 1 -14.464 -13.811 -8.375 4 HA MET 1 HA MET 1 -15.788 -15.081 -9.920 5 HB2 MET 1 HB2 MET 1 -16.734 -12.339 -10.850 6 HB3 MET 1 HB1 MET 1 -17.010 -13.823 -11.756 7 HG2 MET 1 HG2 MET 1 -18.040 -13.271 -8.961 8 HG3 MET 1 HG1 MET 1 -18.987 -13.146 -10.445 9 HE1 MET 1 HE1 MET 1 -17.953 -15.664 -12.132 10 HE2 MET 1 HE2 MET 1 -19.660 -15.247 -11.960 11 HE3 MET 1 HE3 MET 1 -19.118 -16.893 -11.635 12 H SER 2 H SER 2 -14.837 -12.048 -11.606 13 HA SER 2 HA SER 2 -12.717 -13.458 -13.046 14 HB2 SER 2 HB3 SER 2 -13.681 -10.567 -13.254 15 HB3 SER 2 HB2 SER 2 -12.427 -11.284 -14.271 16 HG SER 2 HG SER 2 -13.919 -12.592 -15.204 17 H ASP 3 H ASP 3 -12.662 -10.235 -11.490 18 HA ASP 3 HA ASP 3 -11.181 -9.123 -10.204 19 HB2 ASP 3 HB3 ASP 3 -10.693 -11.875 -8.996 20 HB3 ASP 3 HB2 ASP 3 -10.286 -10.338 -8.231 21 H TYR 4 H TYR 4 -10.155 -10.192 -12.738 22 HA TYR 4 HA TYR 4 -7.451 -11.120 -12.390 23 HB2 TYR 4 HB2 TYR 4 -9.002 -11.751 -14.301 24 HB3 TYR 4 HB1 TYR 4 -8.808 -10.124 -14.931 25 HD1 TYR 4 HD1 TYR 4 -7.204 -13.411 -14.497 26 HD2 TYR 4 HD2 TYR 4 -6.637 -9.439 -15.984 27 HE1 TYR 4 HE1 TYR 4 -5.233 -14.159 -15.768 28 HE2 TYR 4 HE2 TYR 4 -4.671 -10.193 -17.250 29 HH TYR 4 HH TYR 4 -3.927 -13.511 -17.692 30 H GLU 5 H GLU 5 -6.474 -9.462 -11.157 31 HA GLU 5 HA GLU 5 -5.243 -7.351 -12.691 32 HB2 GLU 5 HB3 GLU 5 -5.912 -5.484 -11.125 33 HB3 GLU 5 HB2 GLU 5 -7.243 -6.103 -12.085 34 HG2 GLU 5 HG3 GLU 5 -8.140 -5.726 -9.924 35 HG3 GLU 5 HG2 GLU 5 -7.945 -7.469 -10.065 36 H ASN 6 H ASN 6 -3.836 -5.973 -11.000 37 HA ASN 6 HA ASN 6 -2.951 -7.493 -8.672 38 HB2 ASN 6 HB3 ASN 6 -1.537 -8.358 -10.555 39 HB3 ASN 6 HB2 ASN 6 -0.981 -6.723 -10.881 40 HD21 ASN 6 HD21 ASN 6 -0.853 -9.388 -8.600 41 HD22 ASN 6 HD22 ASN 6 0.558 -8.845 -7.762 42 H ASP 7 H ASP 7 -1.549 -6.213 -7.264 43 HA ASP 7 HA ASP 7 -2.585 -3.673 -6.723 44 HB2 ASP 7 HB3 ASP 7 -0.738 -3.570 -4.995 45 HB3 ASP 7 HB2 ASP 7 -1.716 -5.032 -4.941 46 H ASP 8 H ASP 8 0.387 -4.534 -8.512 47 HA ASP 8 HA ASP 8 1.539 -1.964 -8.725 48 HB2 ASP 8 HB3 ASP 8 1.686 -4.389 -10.553 49 HB3 ASP 8 HB2 ASP 8 2.562 -2.906 -10.919 50 H GLU 9 H GLU 9 -0.902 -3.512 -10.836 51 HA GLU 9 HA GLU 9 -1.228 -1.347 -12.667 52 HB2 GLU 9 HB3 GLU 9 -3.003 -3.686 -11.879 53 HB3 GLU 9 HB2 GLU 9 -3.574 -2.473 -13.017 54 HG2 GLU 9 HG3 GLU 9 -2.684 -4.479 -14.145 55 HG3 GLU 9 HG2 GLU 9 -1.812 -3.012 -14.584 56 H CYS 10 H CYS 10 -2.593 -2.058 -9.527 57 HA CYS 10 HA CYS 10 -4.485 0.088 -9.454 58 HB2 CYS 10 HB3 CYS 10 -3.213 -1.517 -7.209 59 HB3 CYS 10 HB2 CYS 10 -4.598 -0.444 -7.030 60 HG CYS 10 HG CYS 10 -4.456 -3.561 -8.293 61 H TRP 11 H TRP 11 -1.052 -0.211 -8.491 62 HA TRP 11 HA TRP 11 -0.723 2.323 -7.253 63 HB2 TRP 11 HB2 TRP 11 1.198 0.369 -8.538 64 HB3 TRP 11 HB1 TRP 11 1.779 1.972 -8.119 65 HD1 TRP 11 HD1 TRP 11 1.376 -1.403 -6.621 66 HE1 TRP 11 HE1 TRP 11 1.812 -1.302 -4.094 67 HE3 TRP 11 HE3 TRP 11 1.249 3.679 -5.945 68 HZ2 TRP 11 HZ2 TRP 11 2.076 0.640 -2.078 69 HZ3 TRP 11 HZ3 TRP 11 1.601 4.575 -3.675 70 HH2 TRP 11 HH2 TRP 11 2.006 3.083 -1.780 71 H SER 12 H SER 12 -0.567 1.284 -10.627 72 HA SER 12 HA SER 12 0.338 3.598 -11.904 73 HB2 SER 12 HB3 SER 12 0.060 1.492 -13.110 74 HB3 SER 12 HB2 SER 12 -1.685 1.532 -12.862 75 HG SER 12 HG SER 12 -0.149 2.788 -14.746 76 H VAL 13 H VAL 13 -2.902 2.837 -10.702 77 HA VAL 13 HA VAL 13 -4.367 4.976 -11.831 78 HB VAL 13 HB VAL 13 -4.861 3.527 -9.189 79 HG11 VAL 13 HG11 VAL 13 -7.233 4.197 -9.441 80 HG12 VAL 13 HG12 VAL 13 -6.814 5.147 -10.869 81 HG13 VAL 13 HG13 VAL 13 -6.173 5.600 -9.289 82 HG21 VAL 13 HG21 VAL 13 -5.929 2.885 -11.969 83 HG22 VAL 13 HG22 VAL 13 -6.383 2.058 -10.476 84 HG23 VAL 13 HG23 VAL 13 -4.728 1.950 -11.074 85 H LEU 14 H LEU 14 -2.878 4.710 -8.555 86 HA LEU 14 HA LEU 14 -3.385 7.428 -7.807 87 HB2 LEU 14 HB3 LEU 14 -1.461 5.405 -6.612 88 HB3 LEU 14 HB2 LEU 14 -1.816 6.971 -5.902 89 HG LEU 14 HG LEU 14 -3.682 4.590 -6.155 90 HD11 LEU 14 HD11 LEU 14 -2.671 6.109 -3.729 91 HD12 LEU 14 HD12 LEU 14 -2.114 4.526 -4.278 92 HD13 LEU 14 HD13 LEU 14 -3.767 4.723 -3.712 93 HD21 LEU 14 HD21 LEU 14 -5.006 6.575 -6.715 94 HD22 LEU 14 HD22 LEU 14 -4.445 7.395 -5.257 95 HD23 LEU 14 HD23 LEU 14 -5.461 5.957 -5.130 96 H GLU 15 H GLU 15 -0.782 5.919 -9.574 97 HA GLU 15 HA GLU 15 1.295 7.798 -9.155 98 HB2 GLU 15 HB3 GLU 15 1.619 5.511 -10.070 99 HB3 GLU 15 HB2 GLU 15 0.809 5.975 -11.553 100 HG2 GLU 15 HG3 GLU 15 3.273 7.500 -10.720 101 HG3 GLU 15 HG2 GLU 15 3.474 5.874 -11.360 102 H GLY 16 H GLY 16 -1.386 7.725 -11.464 103 HA2 GLY 16 HA3 GLY 16 -0.779 10.011 -13.007 104 HA3 GLY 16 HA2 GLY 16 -2.387 9.378 -12.708 105 H PHE 17 H PHE 17 -1.687 9.817 -9.694 106 HA PHE 17 HA PHE 17 -2.251 12.732 -9.530 107 HB2 PHE 17 HB2 PHE 17 -3.051 10.509 -7.590 108 HB3 PHE 17 HB1 PHE 17 -3.435 12.216 -7.404 109 HD1 PHE 17 HD1 PHE 17 -4.123 9.190 -9.448 110 HD2 PHE 17 HD2 PHE 17 -5.333 13.189 -8.538 111 HE1 PHE 17 HE1 PHE 17 -6.208 8.850 -10.703 112 HE2 PHE 17 HE2 PHE 17 -7.420 12.836 -9.794 113 HZ PHE 17 HZ PHE 17 -7.857 10.671 -10.878 114 H ARG 18 H ARG 18 0.386 10.948 -9.384 115 HA ARG 18 HA ARG 18 1.281 10.711 -6.749 116 HB2 ARG 18 HB3 ARG 18 3.457 10.215 -7.603 117 HB3 ARG 18 HB2 ARG 18 2.314 9.627 -8.805 118 HG2 ARG 18 HG3 ARG 18 2.730 11.794 -10.084 119 HG3 ARG 18 HG2 ARG 18 4.039 12.118 -8.954 120 HD2 ARG 18 HD3 ARG 18 5.083 9.919 -9.644 121 HD3 ARG 18 HD2 ARG 18 3.838 9.793 -10.897 122 HE ARG 18 HE ARG 18 5.535 12.192 -10.837 123 HH11 ARG 18 HH11 ARG 18 4.676 9.283 -12.507 124 HH12 ARG 18 HH12 ARG 18 5.645 9.675 -13.878 125 HH21 ARG 18 HH21 ARG 18 6.787 12.643 -12.601 126 HH22 ARG 18 HH22 ARG 18 6.815 11.543 -13.935 127 H VAL 19 H VAL 19 1.494 13.558 -8.852 128 HA VAL 19 HA VAL 19 3.378 15.051 -7.307 129 HB VAL 19 HB VAL 19 1.254 16.061 -9.256 130 HG11 VAL 19 HG11 VAL 19 2.013 17.897 -7.809 131 HG12 VAL 19 HG12 VAL 19 2.625 18.120 -9.445 132 HG13 VAL 19 HG13 VAL 19 3.698 17.523 -8.177 133 HG21 VAL 19 HG21 VAL 19 2.824 14.474 -10.303 134 HG22 VAL 19 HG22 VAL 19 4.193 15.429 -9.733 135 HG23 VAL 19 HG23 VAL 19 3.081 16.107 -10.923 136 H THR 20 H THR 20 -0.197 15.101 -7.425 137 HA THR 20 HA THR 20 -0.666 16.973 -5.361 138 HB THR 20 HB THR 20 -2.430 14.642 -6.246 139 HG1 THR 20 HG1 THR 20 -2.950 17.269 -7.058 140 HG21 THR 20 HG21 THR 20 -3.204 15.553 -4.086 141 HG22 THR 20 HG22 THR 20 -4.323 15.977 -5.380 142 HG23 THR 20 HG23 THR 20 -3.197 17.187 -4.765 143 H LEU 21 H LEU 21 -0.390 13.406 -5.278 144 HA LEU 21 HA LEU 21 -0.983 12.973 -2.554 145 HB2 LEU 21 HB3 LEU 21 0.796 11.331 -4.393 146 HB3 LEU 21 HB2 LEU 21 0.177 10.781 -2.842 147 HG LEU 21 HG LEU 21 -1.460 11.377 -5.339 148 HD11 LEU 21 HD11 LEU 21 -1.990 8.976 -5.306 149 HD12 LEU 21 HD12 LEU 21 -0.919 8.752 -3.920 150 HD13 LEU 21 HD13 LEU 21 -0.259 9.263 -5.475 151 HD21 LEU 21 HD21 LEU 21 -3.434 10.626 -4.085 152 HD22 LEU 21 HD22 LEU 21 -2.734 12.072 -3.366 153 HD23 LEU 21 HD23 LEU 21 -2.468 10.497 -2.613 154 H THR 22 H THR 22 2.200 13.452 -4.160 155 HA THR 22 HA THR 22 3.765 13.261 -1.780 156 HB THR 22 HB THR 22 5.606 14.361 -3.084 157 HG1 THR 22 HG1 THR 22 3.801 14.391 -5.286 158 HG21 THR 22 HG21 THR 22 5.303 11.920 -3.251 159 HG22 THR 22 HG22 THR 22 5.861 12.588 -4.787 160 HG23 THR 22 HG23 THR 22 4.167 12.140 -4.581 161 H SER 23 H SER 23 2.249 15.994 -3.420 162 HA SER 23 HA SER 23 3.537 18.066 -1.917 163 HB2 SER 23 HB3 SER 23 2.689 18.480 -4.182 164 HB3 SER 23 HB2 SER 23 1.037 18.170 -3.650 165 HG SER 23 HG SER 23 1.038 20.258 -3.353 166 H VAL 24 H VAL 24 0.463 16.331 -1.475 167 HA VAL 24 HA VAL 24 -0.336 18.166 0.711 168 HB VAL 24 HB VAL 24 -1.962 15.960 -0.624 169 HG11 VAL 24 HG11 VAL 24 -2.734 16.365 1.673 170 HG12 VAL 24 HG12 VAL 24 -3.918 16.980 0.520 171 HG13 VAL 24 HG13 VAL 24 -2.839 18.099 1.357 172 HG21 VAL 24 HG21 VAL 24 -2.097 18.976 -1.033 173 HG22 VAL 24 HG22 VAL 24 -3.194 17.795 -1.752 174 HG23 VAL 24 HG23 VAL 24 -1.487 17.797 -2.198 175 H ILE 25 H ILE 25 0.164 14.658 0.146 176 HA ILE 25 HA ILE 25 -0.414 13.974 2.917 177 HB ILE 25 HB ILE 25 0.602 12.188 0.658 178 HG12 ILE 25 HG12 ILE 25 -2.260 12.489 1.677 179 HG13 ILE 25 HG11 ILE 25 -1.640 13.304 0.245 180 HG21 ILE 25 HG21 ILE 25 1.086 11.191 2.859 181 HG22 ILE 25 HG22 ILE 25 -0.179 10.280 2.036 182 HG23 ILE 25 HG23 ILE 25 -0.601 11.392 3.340 183 HD11 ILE 25 HD11 ILE 25 -1.256 11.164 -0.831 184 HD12 ILE 25 HD12 ILE 25 -2.932 11.330 -0.311 185 HD13 ILE 25 HD13 ILE 25 -1.823 10.321 0.613 186 H ASP 26 H ASP 26 1.015 13.554 4.491 187 HA ASP 26 HA ASP 26 3.913 13.778 3.975 188 HB2 ASP 26 HB3 ASP 26 2.337 14.068 6.570 189 HB3 ASP 26 HB2 ASP 26 4.081 14.268 6.414 190 HA PRO 27 HA PRO 27 4.192 9.392 5.054 191 HB2 PRO 27 HB3 PRO 27 6.913 9.139 5.091 192 HB3 PRO 27 HB2 PRO 27 5.989 9.293 3.593 193 HG2 PRO 27 HG3 PRO 27 7.611 11.356 5.040 194 HG3 PRO 27 HG2 PRO 27 7.403 11.111 3.295 195 HD2 PRO 27 HD3 PRO 27 6.057 13.026 4.825 196 HD3 PRO 27 HD2 PRO 27 5.530 12.443 3.239 197 H SER 28 H SER 28 5.876 11.922 6.881 198 HA SER 28 HA SER 28 6.374 10.487 9.298 199 HB2 SER 28 HB3 SER 28 6.647 12.831 10.261 200 HB3 SER 28 HB2 SER 28 7.629 12.502 8.834 201 HG SER 28 HG SER 28 5.461 14.218 9.146 202 H ARG 29 H ARG 29 3.595 12.129 8.021 203 HA ARG 29 HA ARG 29 1.965 12.365 10.319 204 HB2 ARG 29 HB3 ARG 29 1.538 13.466 8.129 205 HB3 ARG 29 HB2 ARG 29 1.220 11.903 7.398 206 HG2 ARG 29 HG3 ARG 29 -0.869 13.017 7.765 207 HG3 ARG 29 HG2 ARG 29 -0.774 11.658 8.886 208 HD2 ARG 29 HD3 ARG 29 -0.272 13.138 10.735 209 HD3 ARG 29 HD2 ARG 29 -0.092 14.523 9.652 210 HE ARG 29 HE ARG 29 -2.551 13.379 10.653 211 HH11 ARG 29 HH11 ARG 29 -1.181 15.409 8.188 212 HH12 ARG 29 HH12 ARG 29 -2.692 16.176 7.860 213 HH21 ARG 29 HH21 ARG 29 -4.456 14.394 10.186 214 HH22 ARG 29 HH22 ARG 29 -4.499 15.620 8.969 215 H ILE 30 H ILE 30 2.632 9.654 8.139 216 HA ILE 30 HA ILE 30 0.650 7.931 9.546 217 HB ILE 30 HB ILE 30 0.364 6.675 7.421 218 HG12 ILE 30 HG12 ILE 30 2.080 8.896 6.174 219 HG13 ILE 30 HG11 ILE 30 2.565 7.214 6.356 220 HG21 ILE 30 HG21 ILE 30 -0.219 9.658 7.157 221 HG22 ILE 30 HG22 ILE 30 -1.212 8.472 8.010 222 HG23 ILE 30 HG23 ILE 30 -1.019 8.354 6.265 223 HD11 ILE 30 HD11 ILE 30 0.345 8.260 4.607 224 HD12 ILE 30 HD12 ILE 30 0.750 6.555 4.822 225 HD13 ILE 30 HD13 ILE 30 1.918 7.654 4.088 226 H THR 31 H THR 31 3.939 8.318 9.346 227 HA THR 31 HA THR 31 5.098 5.879 8.805 228 HB THR 31 HB THR 31 6.655 6.625 10.982 229 HG1 THR 31 HG1 THR 31 6.428 8.665 11.461 230 HG21 THR 31 HG21 THR 31 7.491 6.363 8.666 231 HG22 THR 31 HG22 THR 31 8.116 7.825 9.429 232 HG23 THR 31 HG23 THR 31 6.805 7.936 8.247 233 HA PRO 32 HA PRO 32 4.248 4.250 13.431 234 HB2 PRO 32 HB3 PRO 32 1.850 5.196 14.521 235 HB3 PRO 32 HB2 PRO 32 3.458 5.797 14.946 236 HG2 PRO 32 HG3 PRO 32 1.482 6.921 12.959 237 HG3 PRO 32 HG2 PRO 32 2.459 7.775 14.173 238 HD2 PRO 32 HD3 PRO 32 3.216 7.773 11.617 239 HD3 PRO 32 HD2 PRO 32 4.430 7.594 12.903 240 H TYR 33 H TYR 33 1.439 5.159 11.395 241 HA TYR 33 HA TYR 33 -0.052 2.782 11.794 242 HB2 TYR 33 HB2 TYR 33 -1.092 4.892 10.966 243 HB3 TYR 33 HB1 TYR 33 -0.230 4.706 9.440 244 HD1 TYR 33 HD1 TYR 33 -1.065 3.182 7.726 245 HD2 TYR 33 HD2 TYR 33 -2.871 3.209 11.599 246 HE1 TYR 33 HE1 TYR 33 -2.852 1.698 6.910 247 HE2 TYR 33 HE2 TYR 33 -4.669 1.749 10.771 248 HH TYR 33 HH TYR 33 -4.468 0.071 7.836 249 H LEU 34 H LEU 34 2.231 3.768 9.259 250 HA LEU 34 HA LEU 34 1.888 1.603 7.489 251 HB2 LEU 34 HB3 LEU 34 4.284 3.421 7.908 252 HB3 LEU 34 HB2 LEU 34 4.143 2.287 6.575 253 HG LEU 34 HG LEU 34 2.331 4.692 7.041 254 HD11 LEU 34 HD11 LEU 34 3.451 5.678 5.088 255 HD12 LEU 34 HD12 LEU 34 4.538 4.289 4.996 256 HD13 LEU 34 HD13 LEU 34 4.589 5.362 6.397 257 HD21 LEU 34 HD21 LEU 34 1.424 4.223 4.779 258 HD22 LEU 34 HD22 LEU 34 1.079 2.918 5.917 259 HD23 LEU 34 HD23 LEU 34 2.363 2.723 4.719 260 H ARG 35 H ARG 35 4.491 2.108 9.999 261 HA ARG 35 HA ARG 35 5.419 -0.616 9.584 262 HB2 ARG 35 HB3 ARG 35 6.992 -0.169 11.544 263 HB3 ARG 35 HB2 ARG 35 7.202 0.784 10.089 264 HG2 ARG 35 HG3 ARG 35 7.539 2.267 11.884 265 HG3 ARG 35 HG2 ARG 35 5.949 2.653 11.242 266 HD2 ARG 35 HD3 ARG 35 4.867 1.531 13.098 267 HD3 ARG 35 HD2 ARG 35 6.422 0.921 13.684 268 HE ARG 35 HE ARG 35 6.534 3.732 13.544 269 HH11 ARG 35 HH11 ARG 35 4.978 1.290 15.449 270 HH12 ARG 35 HH12 ARG 35 4.932 2.284 16.854 271 HH21 ARG 35 HH21 ARG 35 6.462 4.961 15.353 272 HH22 ARG 35 HH22 ARG 35 5.762 4.341 16.802 273 H GLN 36 H GLN 36 3.068 0.767 11.820 274 HA GLN 36 HA GLN 36 2.785 -1.449 13.571 275 HB2 GLN 36 HB3 GLN 36 1.543 0.635 13.948 276 HB3 GLN 36 HB2 GLN 36 0.636 0.407 12.462 277 HG2 GLN 36 HG3 GLN 36 -0.746 -0.134 14.394 278 HG3 GLN 36 HG2 GLN 36 -0.463 -1.576 13.423 279 HE21 GLN 36 HE21 GLN 36 1.833 -0.184 15.763 280 HE22 GLN 36 HE22 GLN 36 1.772 -1.516 16.854 281 H CYS 37 H CYS 37 1.472 -0.888 10.321 282 HA CYS 37 HA CYS 37 0.243 -3.494 10.061 283 HB2 CYS 37 HB3 CYS 37 0.878 -1.383 7.962 284 HB3 CYS 37 HB2 CYS 37 -0.126 -2.808 7.694 285 HG CYS 37 HG CYS 37 -0.872 -0.328 9.930 286 H LYS 38 H LYS 38 3.446 -2.585 10.162 287 HA LYS 38 HA LYS 38 5.437 -3.489 9.656 288 HB2 LYS 38 HB3 LYS 38 3.840 -6.020 9.097 289 HB3 LYS 38 HB2 LYS 38 5.579 -5.954 9.376 290 HG2 LYS 38 HG3 LYS 38 3.448 -5.153 11.397 291 HG3 LYS 38 HG2 LYS 38 4.308 -6.697 11.382 292 HD2 LYS 38 HD3 LYS 38 6.406 -5.624 11.904 293 HD3 LYS 38 HD2 LYS 38 5.729 -4.017 11.633 294 HE2 LYS 38 HE3 LYS 38 5.984 -4.489 14.034 295 HE3 LYS 38 HE2 LYS 38 4.290 -4.266 13.606 296 HZ1 LYS 38 HZ1 LYS 38 5.622 -6.895 13.968 297 HZ2 LYS 38 HZ2 LYS 38 3.976 -6.641 13.659 298 HZ3 LYS 38 HZ3 LYS 38 4.653 -6.129 15.120 299 H VAL 39 H VAL 39 3.626 -2.428 7.373 300 HA VAL 39 HA VAL 39 4.788 -3.647 4.999 301 HB VAL 39 HB VAL 39 3.418 -2.174 3.685 302 HG11 VAL 39 HG11 VAL 39 2.241 -4.060 4.760 303 HG12 VAL 39 HG12 VAL 39 1.161 -2.682 4.526 304 HG13 VAL 39 HG13 VAL 39 1.816 -3.023 6.129 305 HG21 VAL 39 HG21 VAL 39 2.066 -0.309 4.620 306 HG22 VAL 39 HG22 VAL 39 3.792 -0.031 4.849 307 HG23 VAL 39 HG23 VAL 39 2.803 -0.570 6.204 308 H LEU 40 H LEU 40 5.581 -1.143 7.172 309 HA LEU 40 HA LEU 40 7.446 0.229 5.344 310 HB2 LEU 40 HB3 LEU 40 5.722 1.430 6.885 311 HB3 LEU 40 HB2 LEU 40 6.792 1.008 8.204 312 HG LEU 40 HG LEU 40 8.637 2.263 6.916 313 HD11 LEU 40 HD11 LEU 40 6.242 3.284 5.358 314 HD12 LEU 40 HD12 LEU 40 7.572 2.309 4.726 315 HD13 LEU 40 HD13 LEU 40 7.877 3.948 5.291 316 HD21 LEU 40 HD21 LEU 40 6.275 3.862 7.966 317 HD22 LEU 40 HD22 LEU 40 7.920 4.467 7.752 318 HD23 LEU 40 HD23 LEU 40 7.598 3.198 8.930 319 H ASN 41 H ASN 41 9.622 -0.029 5.565 320 HA ASN 41 HA ASN 41 10.761 -1.821 7.548 321 HB2 ASN 41 HB3 ASN 41 12.107 -0.154 5.367 322 HB3 ASN 41 HB2 ASN 41 12.906 -1.392 6.336 323 HD21 ASN 41 HD21 ASN 41 10.620 -0.785 3.775 324 HD22 ASN 41 HD22 ASN 41 10.537 -2.407 3.192 325 HA PRO 42 HA PRO 42 12.143 1.334 10.531 326 HB2 PRO 42 HB3 PRO 42 14.633 0.346 11.261 327 HB3 PRO 42 HB2 PRO 42 13.106 -0.296 11.881 328 HG2 PRO 42 HG3 PRO 42 14.804 -1.318 9.601 329 HG3 PRO 42 HG2 PRO 42 14.050 -2.232 10.927 330 HD2 PRO 42 HD3 PRO 42 12.916 -2.170 8.493 331 HD3 PRO 42 HD2 PRO 42 11.905 -2.113 9.956 332 H ASP 43 H ASP 43 14.091 0.436 7.779 333 HA ASP 43 HA ASP 43 15.954 2.587 7.707 334 HB2 ASP 43 HB3 ASP 43 14.855 0.960 5.373 335 HB3 ASP 43 HB2 ASP 43 16.388 1.829 5.417 336 H ASP 44 H ASP 44 12.725 2.094 6.290 337 HA ASP 44 HA ASP 44 12.547 4.585 4.872 338 HB2 ASP 44 HB3 ASP 44 10.206 2.925 5.893 339 HB3 ASP 44 HB2 ASP 44 10.209 4.047 4.537 340 H GLU 45 H GLU 45 11.282 3.370 7.959 341 HA GLU 45 HA GLU 45 9.965 5.535 9.036 342 HB2 GLU 45 HB3 GLU 45 10.140 3.292 10.117 343 HB3 GLU 45 HB2 GLU 45 11.830 3.600 10.481 344 HG2 GLU 45 HG3 GLU 45 10.981 4.153 12.521 345 HG3 GLU 45 HG2 GLU 45 10.777 5.725 11.757 346 H GLU 46 H GLU 46 13.456 4.790 9.458 347 HA GLU 46 HA GLU 46 14.156 7.183 10.784 348 HB2 GLU 46 HB3 GLU 46 15.553 5.133 10.864 349 HB3 GLU 46 HB2 GLU 46 15.955 5.338 9.160 350 HG2 GLU 46 HG3 GLU 46 17.031 7.529 9.718 351 HG3 GLU 46 HG2 GLU 46 16.689 7.234 11.422 352 H GLN 47 H GLN 47 14.342 6.280 7.315 353 HA GLN 47 HA GLN 47 15.674 8.428 6.185 354 HB2 GLN 47 HB3 GLN 47 14.938 6.477 4.865 355 HB3 GLN 47 HB2 GLN 47 13.255 6.945 5.065 356 HG2 GLN 47 HG3 GLN 47 13.770 9.055 3.770 357 HG3 GLN 47 HG2 GLN 47 15.376 8.408 3.459 358 HE21 GLN 47 HE21 GLN 47 14.438 5.653 3.061 359 HE22 GLN 47 HE22 GLN 47 13.625 5.642 1.541 360 H VAL 48 H VAL 48 12.215 8.179 6.854 361 HA VAL 48 HA VAL 48 11.482 10.803 6.001 362 HB VAL 48 HB VAL 48 10.021 8.773 7.749 363 HG11 VAL 48 HG11 VAL 48 9.115 10.998 8.184 364 HG12 VAL 48 HG12 VAL 48 7.960 10.059 7.240 365 HG13 VAL 48 HG13 VAL 48 8.937 11.301 6.454 366 HG21 VAL 48 HG21 VAL 48 9.724 9.393 4.775 367 HG22 VAL 48 HG22 VAL 48 8.747 8.242 5.689 368 HG23 VAL 48 HG23 VAL 48 10.471 7.948 5.465 369 H LEU 49 H LEU 49 11.780 9.335 9.269 370 HA LEU 49 HA LEU 49 11.085 11.746 10.666 371 HB2 LEU 49 HB3 LEU 49 12.229 9.155 11.766 372 HB3 LEU 49 HB2 LEU 49 11.497 10.435 12.724 373 HG LEU 49 HG LEU 49 10.089 8.610 10.735 374 HD11 LEU 49 HD11 LEU 49 10.577 7.549 12.877 375 HD12 LEU 49 HD12 LEU 49 8.845 7.783 12.662 376 HD13 LEU 49 HD13 LEU 49 9.753 8.856 13.735 377 HD21 LEU 49 HD21 LEU 49 8.868 10.921 12.283 378 HD22 LEU 49 HD22 LEU 49 7.986 9.737 11.315 379 HD23 LEU 49 HD23 LEU 49 9.111 10.843 10.535 380 H SER 50 H SER 50 14.074 10.696 9.384 381 HA SER 50 HA SER 50 15.912 11.904 11.192 382 HB2 SER 50 HB3 SER 50 16.626 10.300 9.441 383 HB3 SER 50 HB2 SER 50 16.208 11.464 8.185 384 HG SER 50 HG SER 50 18.322 11.784 8.474 385 H ASP 51 H ASP 51 14.051 13.153 8.478 386 HA ASP 51 HA ASP 51 14.213 15.849 9.499 387 HB2 ASP 51 HB3 ASP 51 14.986 16.869 7.337 388 HB3 ASP 51 HB2 ASP 51 16.217 15.932 8.164 389 HA PRO 52 HA PRO 52 10.068 15.339 7.487 390 HB2 PRO 52 HB3 PRO 52 8.519 15.559 9.691 391 HB3 PRO 52 HB2 PRO 52 9.254 14.013 9.245 392 HG2 PRO 52 HG3 PRO 52 10.160 16.012 11.312 393 HG3 PRO 52 HG2 PRO 52 10.066 14.242 11.433 394 HD2 PRO 52 HD3 PRO 52 12.398 15.635 10.865 395 HD3 PRO 52 HD2 PRO 52 12.113 13.946 10.394 396 H ASN 53 H ASN 53 11.919 17.547 9.247 397 HA ASN 53 HA ASN 53 10.216 19.850 9.184 398 HB2 ASN 53 HB3 ASN 53 12.083 19.607 10.800 399 HB3 ASN 53 HB2 ASN 53 13.243 19.613 9.477 400 HD21 ASN 53 HD21 ASN 53 11.018 21.549 11.343 401 HD22 ASN 53 HD22 ASN 53 11.627 23.080 10.834 402 H LEU 54 H LEU 54 12.883 18.627 7.133 403 HA LEU 54 HA LEU 54 13.062 20.960 5.484 404 HB2 LEU 54 HB3 LEU 54 14.165 18.166 4.992 405 HB3 LEU 54 HB2 LEU 54 14.634 19.616 4.116 406 HG LEU 54 HG LEU 54 15.190 18.995 7.044 407 HD11 LEU 54 HD11 LEU 54 16.671 17.820 5.493 408 HD12 LEU 54 HD12 LEU 54 17.552 19.051 6.392 409 HD13 LEU 54 HD13 LEU 54 17.100 19.345 4.712 410 HD21 LEU 54 HD21 LEU 54 16.407 21.148 7.146 411 HD22 LEU 54 HD22 LEU 54 14.682 21.372 6.878 412 HD23 LEU 54 HD23 LEU 54 15.813 21.559 5.533 413 H VAL 55 H VAL 55 12.586 21.178 3.245 414 HA VAL 55 HA VAL 55 10.113 20.154 2.288 415 HB VAL 55 HB VAL 55 10.669 21.310 0.141 416 HG11 VAL 55 HG11 VAL 55 9.651 22.602 1.969 417 HG12 VAL 55 HG12 VAL 55 10.764 23.614 1.046 418 HG13 VAL 55 HG13 VAL 55 11.249 22.979 2.621 419 HG21 VAL 55 HG21 VAL 55 13.367 21.887 1.441 420 HG22 VAL 55 HG22 VAL 55 12.794 22.581 -0.077 421 HG23 VAL 55 HG23 VAL 55 13.089 20.848 0.041 422 H ILE 56 H ILE 56 13.226 18.772 2.218 423 HA ILE 56 HA ILE 56 13.155 17.065 -0.015 424 HB ILE 56 HB ILE 56 14.403 16.472 2.714 425 HG12 ILE 56 HG12 ILE 56 15.643 17.891 0.302 426 HG13 ILE 56 HG11 ILE 56 15.161 18.667 1.807 427 HG21 ILE 56 HG21 ILE 56 15.098 15.320 -0.020 428 HG22 ILE 56 HG22 ILE 56 14.322 14.456 1.307 429 HG23 ILE 56 HG23 ILE 56 15.985 15.011 1.474 430 HD11 ILE 56 HD11 ILE 56 17.552 18.367 1.719 431 HD12 ILE 56 HD12 ILE 56 17.365 16.633 1.480 432 HD13 ILE 56 HD13 ILE 56 16.872 17.372 3.006 433 H ARG 57 H ARG 57 11.464 16.884 3.070 434 HA ARG 57 HA ARG 57 10.558 14.277 3.223 435 HB2 ARG 57 HB3 ARG 57 10.062 15.891 4.968 436 HB3 ARG 57 HB2 ARG 57 9.109 16.872 3.864 437 HG2 ARG 57 HG3 ARG 57 7.402 15.089 3.739 438 HG3 ARG 57 HG2 ARG 57 8.356 14.090 4.838 439 HD2 ARG 57 HD3 ARG 57 6.463 15.257 5.966 440 HD3 ARG 57 HD2 ARG 57 8.034 15.704 6.645 441 HE ARG 57 HE ARG 57 7.375 17.565 4.658 442 HH11 ARG 57 HH11 ARG 57 6.158 16.671 7.775 443 HH12 ARG 57 HH12 ARG 57 5.607 18.268 8.123 444 HH21 ARG 57 HH21 ARG 57 6.663 19.587 5.146 445 HH22 ARG 57 HH22 ARG 57 5.886 19.885 6.661 446 H LYS 58 H LYS 58 9.234 16.889 1.191 447 HA LYS 58 HA LYS 58 7.009 15.475 0.143 448 HB2 LYS 58 HB3 LYS 58 8.306 18.089 -0.326 449 HB3 LYS 58 HB2 LYS 58 7.634 17.417 -1.802 450 HG2 LYS 58 HG3 LYS 58 6.060 18.923 -0.572 451 HG3 LYS 58 HG2 LYS 58 5.434 17.303 -0.869 452 HD2 LYS 58 HD3 LYS 58 6.100 16.700 1.511 453 HD3 LYS 58 HD2 LYS 58 6.481 18.406 1.767 454 HE2 LYS 58 HE3 LYS 58 4.139 19.004 1.276 455 HE3 LYS 58 HE2 LYS 58 3.759 17.309 0.964 456 HZ1 LYS 58 HZ1 LYS 58 4.640 18.447 3.558 457 HZ2 LYS 58 HZ2 LYS 58 4.305 16.816 3.271 458 HZ3 LYS 58 HZ3 LYS 58 3.073 17.962 3.161 459 H ARG 59 H ARG 59 10.333 15.795 -1.076 460 HA ARG 59 HA ARG 59 10.054 14.196 -3.403 461 HB2 ARG 59 HB3 ARG 59 12.076 15.561 -2.993 462 HB3 ARG 59 HB2 ARG 59 12.486 14.566 -1.599 463 HG2 ARG 59 HG3 ARG 59 12.794 12.610 -3.096 464 HG3 ARG 59 HG2 ARG 59 12.393 13.619 -4.485 465 HD2 ARG 59 HD3 ARG 59 14.383 15.050 -3.962 466 HD3 ARG 59 HD2 ARG 59 14.795 13.932 -2.656 467 HE ARG 59 HE ARG 59 15.191 12.222 -4.282 468 HH11 ARG 59 HH11 ARG 59 14.856 15.386 -5.673 469 HH12 ARG 59 HH12 ARG 59 15.578 14.900 -7.169 470 HH21 ARG 59 HH21 ARG 59 16.066 11.641 -6.199 471 HH22 ARG 59 HH22 ARG 59 16.257 12.813 -7.458 472 H LYS 60 H LYS 60 10.845 13.399 -0.039 473 HA LYS 60 HA LYS 60 11.366 10.643 -0.401 474 HB2 LYS 60 HB3 LYS 60 10.746 12.230 2.109 475 HB3 LYS 60 HB2 LYS 60 11.178 10.519 2.129 476 HG2 LYS 60 HG3 LYS 60 13.342 11.088 1.013 477 HG3 LYS 60 HG2 LYS 60 12.916 12.799 1.119 478 HD2 LYS 60 HD3 LYS 60 13.283 10.915 3.483 479 HD3 LYS 60 HD2 LYS 60 14.469 12.092 2.923 480 HE2 LYS 60 HE3 LYS 60 12.844 13.919 3.430 481 HE3 LYS 60 HE2 LYS 60 11.724 12.714 4.071 482 HZ1 LYS 60 HZ1 LYS 60 12.994 13.779 5.816 483 HZ2 LYS 60 HZ2 LYS 60 14.445 13.278 5.111 484 HZ3 LYS 60 HZ3 LYS 60 13.371 12.133 5.734 485 H VAL 61 H VAL 61 8.301 12.353 0.117 486 HA VAL 61 HA VAL 61 6.661 10.111 0.663 487 HB VAL 61 HB VAL 61 5.779 12.286 -1.288 488 HG11 VAL 61 HG11 VAL 61 4.191 10.605 0.700 489 HG12 VAL 61 HG12 VAL 61 4.233 10.383 -1.049 490 HG13 VAL 61 HG13 VAL 61 3.515 11.842 -0.368 491 HG21 VAL 61 HG21 VAL 61 5.743 12.500 1.731 492 HG22 VAL 61 HG22 VAL 61 4.965 13.628 0.623 493 HG23 VAL 61 HG23 VAL 61 6.722 13.462 0.629 494 H GLY 62 H GLY 62 7.683 11.476 -2.490 495 HA2 GLY 62 HA3 GLY 62 6.561 9.496 -4.183 496 HA3 GLY 62 HA2 GLY 62 7.849 10.608 -4.612 497 H VAL 63 H VAL 63 9.820 9.777 -2.771 498 HA VAL 63 HA VAL 63 10.991 7.460 -3.901 499 HB VAL 63 HB VAL 63 11.551 8.742 -1.177 500 HG11 VAL 63 HG11 VAL 63 13.301 6.808 -2.757 501 HG12 VAL 63 HG12 VAL 63 12.461 6.456 -1.246 502 HG13 VAL 63 HG13 VAL 63 13.769 7.638 -1.270 503 HG21 VAL 63 HG21 VAL 63 11.866 10.342 -3.024 504 HG22 VAL 63 HG22 VAL 63 12.938 9.212 -3.852 505 HG23 VAL 63 HG23 VAL 63 13.420 9.916 -2.306 506 H LEU 64 H LEU 64 9.007 7.968 -0.999 507 HA LEU 64 HA LEU 64 9.195 5.305 -0.005 508 HB2 LEU 64 HB3 LEU 64 8.620 7.308 1.410 509 HB3 LEU 64 HB2 LEU 64 7.045 7.352 0.636 510 HG LEU 64 HG LEU 64 6.546 5.077 1.540 511 HD11 LEU 64 HD11 LEU 64 9.187 5.321 3.008 512 HD12 LEU 64 HD12 LEU 64 8.829 4.207 1.686 513 HD13 LEU 64 HD13 LEU 64 7.983 4.050 3.217 514 HD21 LEU 64 HD21 LEU 64 5.782 7.036 2.794 515 HD22 LEU 64 HD22 LEU 64 7.306 7.087 3.684 516 HD23 LEU 64 HD23 LEU 64 6.208 5.719 3.886 517 H LEU 65 H LEU 65 6.934 6.880 -2.254 518 HA LEU 65 HA LEU 65 4.924 4.880 -2.324 519 HB2 LEU 65 HB3 LEU 65 5.831 6.801 -4.509 520 HB3 LEU 65 HB2 LEU 65 4.400 5.788 -4.636 521 HG LEU 65 HG LEU 65 4.822 8.023 -2.612 522 HD11 LEU 65 HD11 LEU 65 4.409 8.890 -4.863 523 HD12 LEU 65 HD12 LEU 65 3.041 9.215 -3.804 524 HD13 LEU 65 HD13 LEU 65 2.945 7.913 -4.994 525 HD21 LEU 65 HD21 LEU 65 2.410 6.218 -2.986 526 HD22 LEU 65 HD22 LEU 65 2.499 7.617 -1.911 527 HD23 LEU 65 HD23 LEU 65 3.520 6.214 -1.612 528 H ASP 66 H ASP 66 7.958 5.241 -4.101 529 HA ASP 66 HA ASP 66 7.865 2.953 -5.748 530 HB2 ASP 66 HB3 ASP 66 9.514 4.805 -5.992 531 HB3 ASP 66 HB2 ASP 66 10.280 4.330 -4.483 532 H ILE 67 H ILE 67 9.126 3.372 -2.420 533 HA ILE 67 HA ILE 67 10.034 0.700 -2.022 534 HB ILE 67 HB ILE 67 9.159 2.665 0.150 535 HG12 ILE 67 HG12 ILE 67 11.970 2.334 -1.018 536 HG13 ILE 67 HG11 ILE 67 10.879 3.647 -1.439 537 HG21 ILE 67 HG21 ILE 67 10.739 1.413 1.598 538 HG22 ILE 67 HG22 ILE 67 11.074 0.298 0.274 539 HG23 ILE 67 HG23 ILE 67 9.460 0.365 0.982 540 HD11 ILE 67 HD11 ILE 67 12.554 4.361 0.161 541 HD12 ILE 67 HD12 ILE 67 12.036 3.121 1.301 542 HD13 ILE 67 HD13 ILE 67 10.946 4.443 0.880 543 H LEU 68 H LEU 68 6.958 2.309 -1.264 544 HA LEU 68 HA LEU 68 5.711 0.127 0.075 545 HB2 LEU 68 HB3 LEU 68 4.539 2.628 -1.184 546 HB3 LEU 68 HB2 LEU 68 3.572 1.454 -0.305 547 HG LEU 68 HG LEU 68 5.830 3.117 0.890 548 HD11 LEU 68 HD11 LEU 68 4.066 4.338 2.090 549 HD12 LEU 68 HD12 LEU 68 2.829 3.416 1.229 550 HD13 LEU 68 HD13 LEU 68 3.898 4.506 0.343 551 HD21 LEU 68 HD21 LEU 68 5.642 0.947 2.022 552 HD22 LEU 68 HD22 LEU 68 3.913 1.200 2.271 553 HD23 LEU 68 HD23 LEU 68 5.086 2.247 3.073 554 H GLN 69 H GLN 69 5.955 1.123 -3.303 555 HA GLN 69 HA GLN 69 4.138 -0.792 -4.387 556 HB2 GLN 69 HB3 GLN 69 4.847 1.077 -5.756 557 HB3 GLN 69 HB2 GLN 69 6.542 0.623 -5.608 558 HG2 GLN 69 HG3 GLN 69 6.144 -1.391 -6.953 559 HG3 GLN 69 HG2 GLN 69 4.425 -1.008 -7.048 560 HE21 GLN 69 HE21 GLN 69 4.571 -1.022 -9.314 561 HE22 GLN 69 HE22 GLN 69 5.261 0.299 -10.185 562 H ARG 70 H ARG 70 7.605 -0.968 -3.566 563 HA ARG 70 HA ARG 70 8.181 -3.533 -4.613 564 HB2 ARG 70 HB3 ARG 70 9.396 -2.049 -2.255 565 HB3 ARG 70 HB2 ARG 70 10.074 -3.536 -2.919 566 HG2 ARG 70 HG3 ARG 70 10.520 -2.452 -5.048 567 HG3 ARG 70 HG2 ARG 70 9.694 -0.982 -4.522 568 HD2 ARG 70 HD3 ARG 70 12.171 -0.789 -4.424 569 HD3 ARG 70 HD2 ARG 70 11.404 -0.558 -2.848 570 HE ARG 70 HE ARG 70 12.414 -3.234 -3.488 571 HH11 ARG 70 HH11 ARG 70 12.949 -0.278 -1.743 572 HH12 ARG 70 HH12 ARG 70 14.102 -1.008 -0.681 573 HH21 ARG 70 HH21 ARG 70 13.901 -4.115 -2.132 574 HH22 ARG 70 HH22 ARG 70 14.647 -3.141 -0.913 575 H THR 71 H THR 71 6.799 -2.578 -1.474 576 HA THR 71 HA THR 71 6.173 -5.398 -0.801 577 HB THR 71 HB THR 71 7.098 -4.035 1.042 578 HG1 THR 71 HG1 THR 71 4.342 -4.509 1.591 579 HG21 THR 71 HG21 THR 71 6.291 -1.799 0.395 580 HG22 THR 71 HG22 THR 71 5.817 -2.180 2.047 581 HG23 THR 71 HG23 THR 71 4.627 -2.289 0.753 582 H GLY 72 H GLY 72 4.914 -3.951 -3.047 583 HA2 GLY 72 HA3 GLY 72 2.805 -2.360 -2.830 584 HA3 GLY 72 HA2 GLY 72 2.921 -3.574 -4.073 585 H HIS 73 H HIS 73 2.277 -5.920 -2.686 586 HA HIS 73 HA HIS 73 -0.541 -5.738 -2.770 587 HB2 HIS 73 HB2 HIS 73 0.905 -7.811 -3.242 588 HB3 HIS 73 HB1 HIS 73 0.963 -8.060 -1.497 589 HD1 HIS 73 HD1 HIS 73 -0.992 -9.300 -0.501 590 HD2 HIS 73 HD2 HIS 73 -1.810 -7.878 -4.316 591 HE1 HIS 73 HE1 HIS 73 -3.246 -10.220 -1.086 592 HE2 HIS 73 HE2 HIS 73 -3.719 -9.351 -3.395 593 H LYS 74 H LYS 74 1.702 -5.792 -0.022 594 HA LYS 74 HA LYS 74 -0.415 -5.458 1.964 595 HB2 LYS 74 HB3 LYS 74 2.605 -5.148 2.264 596 HB3 LYS 74 HB2 LYS 74 1.442 -5.077 3.577 597 HG2 LYS 74 HG3 LYS 74 2.283 -7.206 3.802 598 HG3 LYS 74 HG2 LYS 74 0.814 -7.497 2.869 599 HD2 LYS 74 HD3 LYS 74 2.083 -7.780 0.826 600 HD3 LYS 74 HD2 LYS 74 3.563 -7.205 1.606 601 HE2 LYS 74 HE3 LYS 74 3.510 -9.163 3.119 602 HE3 LYS 74 HE2 LYS 74 2.074 -9.761 2.282 603 HZ1 LYS 74 HZ1 LYS 74 3.368 -9.931 0.257 604 HZ2 LYS 74 HZ2 LYS 74 4.091 -10.829 1.492 605 HZ3 LYS 74 HZ3 LYS 74 4.742 -9.334 1.045 606 H GLY 75 H GLY 75 2.166 -3.459 0.543 607 HA2 GLY 75 HA3 GLY 75 1.989 -1.193 2.153 608 HA3 GLY 75 HA2 GLY 75 2.714 -1.251 0.558 609 H TYR 76 H TYR 76 0.574 -1.712 -1.074 610 HA TYR 76 HA TYR 76 -0.656 0.778 -1.436 611 HB2 TYR 76 HB2 TYR 76 -0.307 -0.942 -3.231 612 HB3 TYR 76 HB1 TYR 76 -1.596 -1.913 -2.531 613 HD1 TYR 76 HD1 TYR 76 -3.858 -1.529 -3.223 614 HD2 TYR 76 HD2 TYR 76 -0.896 1.434 -4.038 615 HE1 TYR 76 HE1 TYR 76 -5.472 -0.276 -4.584 616 HE2 TYR 76 HE2 TYR 76 -2.504 2.676 -5.392 617 HH TYR 76 HH TYR 76 -5.762 2.162 -5.316 618 H VAL 77 H VAL 77 -2.053 -2.260 -0.159 619 HA VAL 77 HA VAL 77 -4.667 -1.373 0.343 620 HB VAL 77 HB VAL 77 -3.061 -3.542 1.770 621 HG11 VAL 77 HG11 VAL 77 -6.066 -3.043 1.901 622 HG12 VAL 77 HG12 VAL 77 -4.919 -2.878 3.232 623 HG13 VAL 77 HG13 VAL 77 -5.242 -4.468 2.543 624 HG21 VAL 77 HG21 VAL 77 -5.102 -3.742 -0.485 625 HG22 VAL 77 HG22 VAL 77 -4.294 -5.106 0.290 626 HG23 VAL 77 HG23 VAL 77 -3.356 -3.943 -0.646 627 H ALA 78 H ALA 78 -1.943 -1.620 2.679 628 HA ALA 78 HA ALA 78 -3.195 -0.418 4.896 629 HB1 ALA 78 HB1 ALA 78 -0.233 -0.468 4.225 630 HB2 ALA 78 HB2 ALA 78 -1.121 -1.741 5.061 631 HB3 ALA 78 HB3 ALA 78 -0.931 -0.161 5.819 632 H PHE 79 H PHE 79 -1.372 1.033 2.209 633 HA PHE 79 HA PHE 79 -1.136 3.677 3.189 634 HB2 PHE 79 HB2 PHE 79 0.113 2.697 1.205 635 HB3 PHE 79 HB1 PHE 79 -1.364 2.838 0.260 636 HD1 PHE 79 HD1 PHE 79 -1.319 4.674 -1.239 637 HD2 PHE 79 HD2 PHE 79 0.619 5.055 2.559 638 HE1 PHE 79 HE1 PHE 79 -0.659 6.984 -1.797 639 HE2 PHE 79 HE2 PHE 79 1.266 7.347 2.000 640 HZ PHE 79 HZ PHE 79 0.632 8.326 -0.176 641 H LEU 80 H LEU 80 -3.618 2.194 1.058 642 HA LEU 80 HA LEU 80 -5.314 4.432 0.776 643 HB2 LEU 80 HB3 LEU 80 -6.020 1.478 0.733 644 HB3 LEU 80 HB2 LEU 80 -7.116 2.761 0.243 645 HG LEU 80 HG LEU 80 -4.547 1.919 -1.146 646 HD11 LEU 80 HD11 LEU 80 -6.435 0.450 -1.570 647 HD12 LEU 80 HD12 LEU 80 -6.062 1.383 -3.016 648 HD13 LEU 80 HD13 LEU 80 -7.450 1.823 -2.021 649 HD21 LEU 80 HD21 LEU 80 -5.029 3.652 -2.841 650 HD22 LEU 80 HD22 LEU 80 -4.681 4.358 -1.267 651 HD23 LEU 80 HD23 LEU 80 -6.348 4.270 -1.842 652 H GLU 81 H GLU 81 -5.518 1.715 3.085 653 HA GLU 81 HA GLU 81 -7.783 2.510 4.543 654 HB2 GLU 81 HB3 GLU 81 -5.364 0.921 5.496 655 HB3 GLU 81 HB2 GLU 81 -6.904 1.008 6.343 656 HG2 GLU 81 HG3 GLU 81 -6.450 -0.196 3.597 657 HG3 GLU 81 HG2 GLU 81 -6.650 -1.095 5.096 658 H SER 82 H SER 82 -4.398 3.439 4.842 659 HA SER 82 HA SER 82 -4.569 4.981 7.230 660 HB2 SER 82 HB3 SER 82 -2.434 4.141 6.170 661 HB3 SER 82 HB2 SER 82 -2.627 5.353 4.906 662 HG SER 82 HG SER 82 -1.260 6.052 6.582 663 H LEU 83 H LEU 83 -4.686 5.903 3.761 664 HA LEU 83 HA LEU 83 -4.864 8.695 4.190 665 HB2 LEU 83 HB3 LEU 83 -5.718 7.097 1.756 666 HB3 LEU 83 HB2 LEU 83 -5.561 8.847 1.803 667 HG LEU 83 HG LEU 83 -3.345 6.788 1.980 668 HD11 LEU 83 HD11 LEU 83 -3.884 8.980 -0.033 669 HD12 LEU 83 HD12 LEU 83 -4.096 7.243 -0.275 670 HD13 LEU 83 HD13 LEU 83 -2.484 7.906 -0.027 671 HD21 LEU 83 HD21 LEU 83 -1.738 8.635 2.246 672 HD22 LEU 83 HD22 LEU 83 -2.814 8.497 3.632 673 HD23 LEU 83 HD23 LEU 83 -3.073 9.776 2.439 674 H GLU 84 H GLU 84 -7.412 6.220 3.898 675 HA GLU 84 HA GLU 84 -9.645 7.936 3.752 676 HB2 GLU 84 HB3 GLU 84 -9.809 5.483 3.411 677 HB3 GLU 84 HB2 GLU 84 -9.481 5.215 5.117 678 HG2 GLU 84 HG3 GLU 84 -11.841 4.935 4.755 679 HG3 GLU 84 HG2 GLU 84 -11.606 6.409 5.685 680 H LEU 85 H LEU 85 -7.628 7.065 6.502 681 HA LEU 85 HA LEU 85 -9.360 8.254 8.519 682 HB2 LEU 85 HB3 LEU 85 -6.460 7.366 8.773 683 HB3 LEU 85 HB2 LEU 85 -7.563 7.702 10.100 684 HG LEU 85 HG LEU 85 -7.769 5.386 8.137 685 HD11 LEU 85 HD11 LEU 85 -7.225 3.951 10.047 686 HD12 LEU 85 HD12 LEU 85 -7.030 5.369 11.080 687 HD13 LEU 85 HD13 LEU 85 -5.933 5.104 9.722 688 HD21 LEU 85 HD21 LEU 85 -10.016 6.102 8.796 689 HD22 LEU 85 HD22 LEU 85 -9.575 6.024 10.503 690 HD23 LEU 85 HD23 LEU 85 -9.627 4.550 9.533 691 H TYR 86 H TYR 86 -6.136 9.036 7.140 692 HA TYR 86 HA TYR 86 -5.875 11.449 8.733 693 HB2 TYR 86 HB2 TYR 86 -4.045 10.151 6.685 694 HB3 TYR 86 HB1 TYR 86 -3.629 11.624 7.553 695 HD1 TYR 86 HD1 TYR 86 -2.837 11.528 9.848 696 HD2 TYR 86 HD2 TYR 86 -4.288 7.975 7.982 697 HE1 TYR 86 HE1 TYR 86 -1.909 10.177 11.676 698 HE2 TYR 86 HE2 TYR 86 -3.361 6.627 9.810 699 HH TYR 86 HH TYR 86 -1.587 6.813 11.498 700 H TYR 87 H TYR 87 -6.376 10.772 5.257 701 HA TYR 87 HA TYR 87 -7.115 13.618 4.813 702 HB2 TYR 87 HB2 TYR 87 -5.363 11.939 2.945 703 HB3 TYR 87 HB1 TYR 87 -5.998 13.533 2.561 704 HD1 TYR 87 HD1 TYR 87 -3.315 11.713 4.232 705 HD2 TYR 87 HD2 TYR 87 -5.193 15.544 3.901 706 HE1 TYR 87 HE1 TYR 87 -1.332 12.776 5.240 707 HE2 TYR 87 HE2 TYR 87 -3.210 16.597 4.897 708 HH TYR 87 HH TYR 87 -0.276 15.219 5.140 709 HA PRO 88 HA PRO 88 -10.314 10.201 3.699 710 HB2 PRO 88 HB3 PRO 88 -12.171 12.419 4.552 711 HB3 PRO 88 HB2 PRO 88 -12.251 10.687 4.911 712 HG2 PRO 88 HG3 PRO 88 -11.412 12.388 6.779 713 HG3 PRO 88 HG2 PRO 88 -10.583 10.828 6.570 714 HD2 PRO 88 HD3 PRO 88 -9.727 13.571 5.655 715 HD3 PRO 88 HD2 PRO 88 -8.752 12.259 6.355 716 H GLN 89 H GLN 89 -10.784 13.678 2.938 717 HA GLN 89 HA GLN 89 -12.497 13.286 0.698 718 HB2 GLN 89 HB3 GLN 89 -10.825 15.723 1.451 719 HB3 GLN 89 HB2 GLN 89 -12.081 15.706 0.214 720 HG2 GLN 89 HG3 GLN 89 -13.751 15.114 1.961 721 HG3 GLN 89 HG2 GLN 89 -12.485 15.232 3.183 722 HE21 GLN 89 HE21 GLN 89 -14.953 16.755 2.972 723 HE22 GLN 89 HE22 GLN 89 -14.497 18.418 2.881 724 H LEU 90 H LEU 90 -9.030 14.223 0.870 725 HA LEU 90 HA LEU 90 -8.458 14.271 -1.864 726 HB2 LEU 90 HB3 LEU 90 -6.912 15.105 -0.091 727 HB3 LEU 90 HB2 LEU 90 -6.572 13.446 0.375 728 HG LEU 90 HG LEU 90 -5.660 13.051 -1.965 729 HD11 LEU 90 HD11 LEU 90 -5.062 14.983 -3.344 730 HD12 LEU 90 HD12 LEU 90 -5.895 16.062 -2.226 731 HD13 LEU 90 HD13 LEU 90 -6.806 14.855 -3.139 732 HD21 LEU 90 HD21 LEU 90 -4.242 15.170 -0.330 733 HD22 LEU 90 HD22 LEU 90 -3.502 14.139 -1.556 734 HD23 LEU 90 HD23 LEU 90 -4.149 13.426 -0.080 735 H TYR 91 H TYR 91 -8.154 11.578 0.439 736 HA TYR 91 HA TYR 91 -7.277 9.497 -1.149 737 HB2 TYR 91 HB2 TYR 91 -7.474 9.101 1.207 738 HB3 TYR 91 HB1 TYR 91 -9.170 9.571 1.234 739 HD1 TYR 91 HD1 TYR 91 -10.857 7.893 1.094 740 HD2 TYR 91 HD2 TYR 91 -6.870 6.915 -0.075 741 HE1 TYR 91 HE1 TYR 91 -11.526 5.551 0.781 742 HE2 TYR 91 HE2 TYR 91 -7.543 4.580 -0.383 743 HH TYR 91 HH TYR 91 -10.784 3.589 -0.494 744 H LYS 92 H LYS 92 -10.684 10.330 -0.465 745 HA LYS 92 HA LYS 92 -11.833 8.361 -2.125 746 HB2 LYS 92 HB3 LYS 92 -12.926 9.495 -0.194 747 HB3 LYS 92 HB2 LYS 92 -13.061 10.965 -1.146 748 HG2 LYS 92 HG3 LYS 92 -14.710 10.042 -2.563 749 HG3 LYS 92 HG2 LYS 92 -14.322 8.387 -2.098 750 HD2 LYS 92 HD3 LYS 92 -15.446 10.360 -0.081 751 HD3 LYS 92 HD2 LYS 92 -16.508 9.466 -1.165 752 HE2 LYS 92 HE3 LYS 92 -16.311 8.377 1.055 753 HE3 LYS 92 HE2 LYS 92 -15.733 7.339 -0.242 754 HZ1 LYS 92 HZ1 LYS 92 -13.497 7.746 0.385 755 HZ2 LYS 92 HZ2 LYS 92 -14.336 7.351 1.799 756 HZ3 LYS 92 HZ3 LYS 92 -13.938 8.960 1.474 757 H LYS 93 H LYS 93 -10.771 11.637 -2.852 758 HA LYS 93 HA LYS 93 -11.896 11.841 -5.483 759 HB2 LYS 93 HB3 LYS 93 -9.544 13.267 -4.179 760 HB3 LYS 93 HB2 LYS 93 -10.166 13.682 -5.774 761 HG2 LYS 93 HG3 LYS 93 -12.317 14.326 -4.814 762 HG3 LYS 93 HG2 LYS 93 -11.789 13.806 -3.211 763 HD2 LYS 93 HD3 LYS 93 -10.038 15.551 -3.216 764 HD3 LYS 93 HD2 LYS 93 -10.545 16.068 -4.828 765 HE2 LYS 93 HE3 LYS 93 -12.748 16.716 -3.928 766 HE3 LYS 93 HE2 LYS 93 -12.263 16.168 -2.320 767 HZ1 LYS 93 HZ1 LYS 93 -10.519 17.846 -2.332 768 HZ2 LYS 93 HZ2 LYS 93 -12.042 18.549 -2.536 769 HZ3 LYS 93 HZ3 LYS 93 -11.009 18.371 -3.863 770 H VAL 94 H VAL 94 -8.528 11.077 -4.414 771 HA VAL 94 HA VAL 94 -7.499 10.858 -7.068 772 HB VAL 94 HB VAL 94 -5.371 10.147 -6.054 773 HG11 VAL 94 HG11 VAL 94 -6.683 12.442 -4.540 774 HG12 VAL 94 HG12 VAL 94 -5.869 12.545 -6.103 775 HG13 VAL 94 HG13 VAL 94 -4.944 12.152 -4.655 776 HG21 VAL 94 HG21 VAL 94 -6.885 10.004 -3.405 777 HG22 VAL 94 HG22 VAL 94 -5.134 9.864 -3.589 778 HG23 VAL 94 HG23 VAL 94 -6.194 8.640 -4.286 779 H THR 95 H THR 95 -8.936 8.491 -4.966 780 HA THR 95 HA THR 95 -7.840 6.159 -6.314 781 HB THR 95 HB THR 95 -9.452 4.871 -4.886 782 HG1 THR 95 HG1 THR 95 -10.689 6.069 -3.353 783 HG21 THR 95 HG21 THR 95 -7.217 5.436 -3.972 784 HG22 THR 95 HG22 THR 95 -8.442 5.423 -2.704 785 HG23 THR 95 HG23 THR 95 -7.859 6.959 -3.346 786 H GLY 96 H GLY 96 -10.796 8.092 -6.505 787 HA2 GLY 96 HA3 GLY 96 -12.349 8.218 -8.240 788 HA3 GLY 96 HA2 GLY 96 -11.603 6.831 -9.014 789 H LYS 97 H LYS 97 -11.848 4.741 -7.530 790 HA LYS 97 HA LYS 97 -14.367 4.587 -6.053 791 HB2 LYS 97 HB3 LYS 97 -15.116 2.533 -7.354 792 HB3 LYS 97 HB2 LYS 97 -15.247 4.061 -8.214 793 HG2 LYS 97 HG3 LYS 97 -13.290 3.559 -9.547 794 HG3 LYS 97 HG2 LYS 97 -12.953 2.113 -8.596 795 HD2 LYS 97 HD3 LYS 97 -13.964 1.501 -10.743 796 HD3 LYS 97 HD2 LYS 97 -15.047 1.075 -9.416 797 HE2 LYS 97 HE3 LYS 97 -16.330 2.038 -11.250 798 HE3 LYS 97 HE2 LYS 97 -16.368 3.143 -9.877 799 HZ1 LYS 97 HZ1 LYS 97 -14.662 4.475 -10.945 800 HZ2 LYS 97 HZ2 LYS 97 -15.995 4.301 -11.963 801 HZ3 LYS 97 HZ3 LYS 97 -14.596 3.403 -12.251 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 0.297 -21.305 -12.337 2 H2 MET 1 HT2 MET 1 -0.379 -20.369 -11.108 3 H3 MET 1 HT3 MET 1 -1.026 -21.886 -11.455 4 HA MET 1 HA MET 1 0.282 -21.972 -9.449 5 HB2 MET 1 HB2 MET 1 1.710 -23.392 -11.744 6 HB3 MET 1 HB1 MET 1 1.725 -23.870 -10.052 7 HG2 MET 1 HG2 MET 1 -0.700 -24.332 -10.175 8 HG3 MET 1 HG1 MET 1 -0.686 -23.888 -11.881 9 HE1 MET 1 HE1 MET 1 1.460 -27.598 -10.137 10 HE2 MET 1 HE2 MET 1 0.428 -26.537 -9.183 11 HE3 MET 1 HE3 MET 1 1.982 -25.949 -9.782 12 H SER 2 H SER 2 2.003 -21.199 -8.260 13 HA SER 2 HA SER 2 3.676 -19.777 -7.633 14 HB2 SER 2 HB3 SER 2 4.998 -20.943 -10.125 15 HB3 SER 2 HB2 SER 2 5.853 -20.040 -8.878 16 HG SER 2 HG SER 2 5.769 -22.485 -8.819 17 H ASP 3 H ASP 3 1.684 -18.384 -8.809 18 HA ASP 3 HA ASP 3 2.468 -16.823 -11.099 19 HB2 ASP 3 HB3 ASP 3 0.072 -16.437 -9.261 20 HB3 ASP 3 HB2 ASP 3 0.260 -15.787 -10.890 21 H TYR 4 H TYR 4 2.716 -14.570 -11.211 22 HA TYR 4 HA TYR 4 3.722 -13.233 -8.764 23 HB2 TYR 4 HB2 TYR 4 4.140 -12.427 -11.686 24 HB3 TYR 4 HB1 TYR 4 4.940 -11.735 -10.280 25 HD1 TYR 4 HD1 TYR 4 4.965 -14.477 -12.692 26 HD2 TYR 4 HD2 TYR 4 6.643 -13.109 -9.005 27 HE1 TYR 4 HE1 TYR 4 6.788 -16.111 -12.906 28 HE2 TYR 4 HE2 TYR 4 8.463 -14.739 -9.228 29 HH TYR 4 HH TYR 4 9.175 -16.330 -12.060 30 H GLU 5 H GLU 5 2.155 -12.002 -7.804 31 HA GLU 5 HA GLU 5 -0.224 -11.128 -9.086 32 HB2 GLU 5 HB3 GLU 5 -0.732 -9.937 -6.994 33 HB3 GLU 5 HB2 GLU 5 -0.165 -11.574 -6.679 34 HG2 GLU 5 HG3 GLU 5 2.055 -10.710 -6.075 35 HG3 GLU 5 HG2 GLU 5 1.522 -9.065 -6.420 36 H ASN 6 H ASN 6 -0.887 -9.093 -9.790 37 HA ASN 6 HA ASN 6 1.291 -7.396 -10.798 38 HB2 ASN 6 HB3 ASN 6 -0.423 -8.443 -12.324 39 HB3 ASN 6 HB2 ASN 6 -1.664 -7.457 -11.559 40 HD21 ASN 6 HD21 ASN 6 -2.097 -6.612 -13.653 41 HD22 ASN 6 HD22 ASN 6 -1.096 -5.377 -14.323 42 H ASP 7 H ASP 7 1.676 -6.397 -8.704 43 HA ASP 7 HA ASP 7 -0.340 -4.871 -7.321 44 HB2 ASP 7 HB3 ASP 7 1.609 -4.171 -5.844 45 HB3 ASP 7 HB2 ASP 7 1.356 -5.909 -5.970 46 H ASP 8 H ASP 8 2.516 -3.958 -9.276 47 HA ASP 8 HA ASP 8 2.429 -1.181 -8.893 48 HB2 ASP 8 HB3 ASP 8 3.836 -1.076 -10.979 49 HB3 ASP 8 HB2 ASP 8 4.416 -2.210 -9.764 50 H GLU 9 H GLU 9 0.519 -3.169 -11.037 51 HA GLU 9 HA GLU 9 -0.608 -1.262 -12.762 52 HB2 GLU 9 HB3 GLU 9 -0.912 -3.626 -13.124 53 HB3 GLU 9 HB2 GLU 9 -1.723 -3.830 -11.584 54 HG2 GLU 9 HG3 GLU 9 -2.977 -2.050 -13.667 55 HG3 GLU 9 HG2 GLU 9 -3.065 -3.793 -13.878 56 H CYS 10 H CYS 10 -1.766 -2.332 -9.527 57 HA CYS 10 HA CYS 10 -3.973 -0.502 -9.469 58 HB2 CYS 10 HB3 CYS 10 -4.280 -1.160 -7.146 59 HB3 CYS 10 HB2 CYS 10 -3.928 -2.588 -8.110 60 HG CYS 10 HG CYS 10 -2.736 -2.905 -5.635 61 H TRP 11 H TRP 11 -0.632 -0.351 -8.294 62 HA TRP 11 HA TRP 11 -0.697 2.171 -7.027 63 HB2 TRP 11 HB2 TRP 11 1.538 0.634 -8.382 64 HB3 TRP 11 HB1 TRP 11 1.822 2.230 -7.700 65 HD1 TRP 11 HD1 TRP 11 1.720 -1.377 -6.694 66 HE1 TRP 11 HE1 TRP 11 1.994 -1.559 -4.149 67 HE3 TRP 11 HE3 TRP 11 1.054 3.547 -5.407 68 HZ2 TRP 11 HZ2 TRP 11 1.934 0.119 -1.898 69 HZ3 TRP 11 HZ3 TRP 11 1.171 4.170 -3.022 70 HH2 TRP 11 HH2 TRP 11 1.602 2.483 -1.305 71 H SER 12 H SER 12 -0.676 1.368 -10.457 72 HA SER 12 HA SER 12 0.291 3.740 -11.606 73 HB2 SER 12 HB3 SER 12 -1.896 1.930 -12.716 74 HB3 SER 12 HB2 SER 12 -0.976 3.111 -13.650 75 HG SER 12 HG SER 12 0.672 1.433 -12.296 76 H VAL 13 H VAL 13 -2.932 3.023 -10.343 77 HA VAL 13 HA VAL 13 -4.352 5.279 -11.285 78 HB VAL 13 HB VAL 13 -4.785 3.690 -8.711 79 HG11 VAL 13 HG11 VAL 13 -5.931 5.862 -8.527 80 HG12 VAL 13 HG12 VAL 13 -7.115 4.571 -8.729 81 HG13 VAL 13 HG13 VAL 13 -6.706 5.613 -10.093 82 HG21 VAL 13 HG21 VAL 13 -4.917 2.295 -10.737 83 HG22 VAL 13 HG22 VAL 13 -6.097 3.403 -11.443 84 HG23 VAL 13 HG23 VAL 13 -6.514 2.473 -10.002 85 H LEU 14 H LEU 14 -2.868 4.777 -8.046 86 HA LEU 14 HA LEU 14 -3.245 7.429 -7.120 87 HB2 LEU 14 HB3 LEU 14 -1.189 5.406 -6.151 88 HB3 LEU 14 HB2 LEU 14 -1.715 6.837 -5.280 89 HG LEU 14 HG LEU 14 -3.301 4.300 -5.811 90 HD11 LEU 14 HD11 LEU 14 -2.472 5.629 -3.210 91 HD12 LEU 14 HD12 LEU 14 -1.742 4.192 -3.931 92 HD13 LEU 14 HD13 LEU 14 -3.410 4.140 -3.371 93 HD21 LEU 14 HD21 LEU 14 -4.378 6.881 -4.622 94 HD22 LEU 14 HD22 LEU 14 -5.220 5.328 -4.655 95 HD23 LEU 14 HD23 LEU 14 -4.846 6.155 -6.163 96 H GLU 15 H GLU 15 -0.604 5.908 -8.889 97 HA GLU 15 HA GLU 15 1.377 7.917 -8.523 98 HB2 GLU 15 HB3 GLU 15 1.807 5.544 -9.229 99 HB3 GLU 15 HB2 GLU 15 1.142 5.925 -10.810 100 HG2 GLU 15 HG3 GLU 15 2.956 7.524 -11.216 101 HG3 GLU 15 HG2 GLU 15 3.583 7.253 -9.593 102 H GLY 16 H GLY 16 -1.244 7.540 -10.861 103 HA2 GLY 16 HA3 GLY 16 -0.681 9.653 -12.630 104 HA3 GLY 16 HA2 GLY 16 -2.290 9.090 -12.200 105 H PHE 17 H PHE 17 -1.684 9.721 -9.306 106 HA PHE 17 HA PHE 17 -2.119 12.657 -9.317 107 HB2 PHE 17 HB2 PHE 17 -2.790 10.651 -7.108 108 HB3 PHE 17 HB1 PHE 17 -3.300 12.331 -7.197 109 HD1 PHE 17 HD1 PHE 17 -4.223 8.974 -7.915 110 HD2 PHE 17 HD2 PHE 17 -4.789 12.992 -9.254 111 HE1 PHE 17 HE1 PHE 17 -6.275 8.297 -9.086 112 HE2 PHE 17 HE2 PHE 17 -6.844 12.304 -10.411 113 HZ PHE 17 HZ PHE 17 -7.589 9.963 -10.330 114 H ARG 18 H ARG 18 0.567 11.037 -9.266 115 HA ARG 18 HA ARG 18 1.704 10.826 -6.746 116 HB2 ARG 18 HB3 ARG 18 2.602 10.010 -8.995 117 HB3 ARG 18 HB2 ARG 18 3.278 11.607 -9.228 118 HG2 ARG 18 HG3 ARG 18 4.025 9.856 -6.866 119 HG3 ARG 18 HG2 ARG 18 4.840 9.745 -8.414 120 HD2 ARG 18 HD3 ARG 18 4.821 12.067 -6.484 121 HD3 ARG 18 HD2 ARG 18 6.209 11.131 -7.045 122 HE ARG 18 HE ARG 18 5.208 12.253 -9.320 123 HH11 ARG 18 HH11 ARG 18 6.354 13.567 -6.331 124 HH12 ARG 18 HH12 ARG 18 6.745 15.091 -7.040 125 HH21 ARG 18 HH21 ARG 18 5.717 14.212 -10.191 126 HH22 ARG 18 HH22 ARG 18 6.391 15.447 -9.190 127 H VAL 19 H VAL 19 1.739 13.770 -8.824 128 HA VAL 19 HA VAL 19 3.297 15.462 -7.214 129 HB VAL 19 HB VAL 19 0.890 16.246 -8.928 130 HG11 VAL 19 HG11 VAL 19 1.410 18.050 -7.337 131 HG12 VAL 19 HG12 VAL 19 1.861 18.535 -8.971 132 HG13 VAL 19 HG13 VAL 19 3.106 18.027 -7.827 133 HG21 VAL 19 HG21 VAL 19 2.573 16.806 -10.666 134 HG22 VAL 19 HG22 VAL 19 2.634 15.099 -10.230 135 HG23 VAL 19 HG23 VAL 19 3.860 16.207 -9.612 136 H THR 20 H THR 20 -0.260 15.046 -7.143 137 HA THR 20 HA THR 20 -0.876 16.686 -4.933 138 HB THR 20 HB THR 20 -2.357 14.231 -5.968 139 HG1 THR 20 HG1 THR 20 -1.978 16.228 -7.333 140 HG21 THR 20 HG21 THR 20 -4.390 15.194 -4.897 141 HG22 THR 20 HG22 THR 20 -3.390 16.431 -4.135 142 HG23 THR 20 HG23 THR 20 -3.173 14.734 -3.705 143 H LEU 21 H LEU 21 -0.003 13.222 -5.066 144 HA LEU 21 HA LEU 21 -0.507 12.551 -2.361 145 HB2 LEU 21 HB3 LEU 21 1.596 11.328 -4.185 146 HB3 LEU 21 HB2 LEU 21 0.945 10.601 -2.723 147 HG LEU 21 HG LEU 21 -0.437 10.974 -5.403 148 HD11 LEU 21 HD11 LEU 21 0.989 9.015 -5.215 149 HD12 LEU 21 HD12 LEU 21 -0.704 8.545 -5.320 150 HD13 LEU 21 HD13 LEU 21 0.130 8.491 -3.763 151 HD21 LEU 21 HD21 LEU 21 -1.786 10.102 -2.829 152 HD22 LEU 21 HD22 LEU 21 -2.500 10.044 -4.443 153 HD23 LEU 21 HD23 LEU 21 -2.092 11.595 -3.718 154 H THR 22 H THR 22 2.565 13.427 -3.962 155 HA THR 22 HA THR 22 4.132 13.579 -1.581 156 HB THR 22 HB THR 22 5.866 14.592 -3.028 157 HG1 THR 22 HG1 THR 22 3.837 14.572 -5.048 158 HG21 THR 22 HG21 THR 22 4.399 12.283 -4.358 159 HG22 THR 22 HG22 THR 22 5.590 12.140 -3.062 160 HG23 THR 22 HG23 THR 22 6.079 12.739 -4.646 161 H SER 23 H SER 23 1.807 15.769 -2.732 162 HA SER 23 HA SER 23 3.003 18.150 -1.484 163 HB2 SER 23 HB3 SER 23 0.431 17.793 -3.075 164 HB3 SER 23 HB2 SER 23 0.965 19.330 -2.386 165 HG SER 23 HG SER 23 2.538 17.793 -4.180 166 H VAL 24 H VAL 24 0.172 16.006 -1.074 167 HA VAL 24 HA VAL 24 -0.732 17.580 1.266 168 HB VAL 24 HB VAL 24 -2.334 15.464 -0.234 169 HG11 VAL 24 HG11 VAL 24 -4.300 16.504 0.871 170 HG12 VAL 24 HG12 VAL 24 -3.231 17.618 1.726 171 HG13 VAL 24 HG13 VAL 24 -3.145 15.886 2.057 172 HG21 VAL 24 HG21 VAL 24 -2.402 18.479 -0.650 173 HG22 VAL 24 HG22 VAL 24 -3.505 17.316 -1.391 174 HG23 VAL 24 HG23 VAL 24 -1.787 17.287 -1.797 175 H ILE 25 H ILE 25 -0.065 14.175 0.289 176 HA ILE 25 HA ILE 25 -0.531 13.088 2.919 177 HB ILE 25 HB ILE 25 1.080 11.796 0.671 178 HG12 ILE 25 HG12 ILE 25 -1.868 11.405 1.289 179 HG13 ILE 25 HG11 ILE 25 -1.251 12.417 -0.016 180 HG21 ILE 25 HG21 ILE 25 0.576 9.654 1.805 181 HG22 ILE 25 HG22 ILE 25 -0.246 10.527 3.098 182 HG23 ILE 25 HG23 ILE 25 1.489 10.736 2.859 183 HD11 ILE 25 HD11 ILE 25 -0.892 9.441 0.257 184 HD12 ILE 25 HD12 ILE 25 -0.210 10.440 -1.029 185 HD13 ILE 25 HD13 ILE 25 -1.956 10.290 -0.861 186 H ASP 26 H ASP 26 0.718 14.246 4.369 187 HA ASP 26 HA ASP 26 3.591 14.332 4.206 188 HB2 ASP 26 HB3 ASP 26 1.855 14.669 6.701 189 HB3 ASP 26 HB2 ASP 26 3.507 15.236 6.471 190 HA PRO 27 HA PRO 27 3.755 9.966 5.254 191 HB2 PRO 27 HB3 PRO 27 6.450 9.587 5.150 192 HB3 PRO 27 HB2 PRO 27 5.482 9.881 3.699 193 HG2 PRO 27 HG3 PRO 27 7.179 11.814 5.266 194 HG3 PRO 27 HG2 PRO 27 7.033 11.628 3.505 195 HD2 PRO 27 HD3 PRO 27 5.710 13.563 4.951 196 HD3 PRO 27 HD2 PRO 27 5.112 12.917 3.411 197 H SER 28 H SER 28 5.577 12.372 7.092 198 HA SER 28 HA SER 28 6.269 10.842 9.371 199 HB2 SER 28 HB3 SER 28 5.788 13.845 9.147 200 HB3 SER 28 HB2 SER 28 6.661 13.038 10.453 201 HG SER 28 HG SER 28 8.360 12.866 9.206 202 H ARG 29 H ARG 29 3.229 12.155 8.372 203 HA ARG 29 HA ARG 29 1.890 12.201 10.919 204 HB2 ARG 29 HB3 ARG 29 1.097 13.538 8.991 205 HB3 ARG 29 HB2 ARG 29 0.787 12.070 8.077 206 HG2 ARG 29 HG3 ARG 29 -1.296 13.031 8.927 207 HG3 ARG 29 HG2 ARG 29 -1.006 11.448 9.652 208 HD2 ARG 29 HD3 ARG 29 -0.279 12.473 11.729 209 HD3 ARG 29 HD2 ARG 29 -0.335 14.086 11.013 210 HE ARG 29 HE ARG 29 -2.633 12.421 11.791 211 HH11 ARG 29 HH11 ARG 29 -1.498 15.477 10.612 212 HH12 ARG 29 HH12 ARG 29 -3.000 16.265 10.930 213 HH21 ARG 29 HH21 ARG 29 -4.535 13.469 12.187 214 HH22 ARG 29 HH22 ARG 29 -4.681 15.149 11.802 215 H ILE 30 H ILE 30 2.278 9.829 8.310 216 HA ILE 30 HA ILE 30 0.551 7.880 9.724 217 HB ILE 30 HB ILE 30 0.205 6.755 7.568 218 HG12 ILE 30 HG12 ILE 30 1.888 9.016 6.347 219 HG13 ILE 30 HG11 ILE 30 2.396 7.338 6.488 220 HG21 ILE 30 HG21 ILE 30 -1.202 8.483 6.489 221 HG22 ILE 30 HG22 ILE 30 -0.387 9.747 7.413 222 HG23 ILE 30 HG23 ILE 30 -1.367 8.537 8.245 223 HD11 ILE 30 HD11 ILE 30 1.708 7.831 4.238 224 HD12 ILE 30 HD12 ILE 30 0.132 8.383 4.799 225 HD13 ILE 30 HD13 ILE 30 0.582 6.683 4.962 226 H THR 31 H THR 31 3.826 8.454 9.326 227 HA THR 31 HA THR 31 4.993 6.029 8.668 228 HB THR 31 HB THR 31 6.812 6.781 10.551 229 HG1 THR 31 HG1 THR 31 6.307 8.576 11.455 230 HG21 THR 31 HG21 THR 31 6.440 8.275 7.934 231 HG22 THR 31 HG22 THR 31 7.272 6.733 8.124 232 HG23 THR 31 HG23 THR 31 7.934 8.189 8.875 233 HA PRO 32 HA PRO 32 4.616 4.462 13.365 234 HB2 PRO 32 HB3 PRO 32 2.259 5.380 14.602 235 HB3 PRO 32 HB2 PRO 32 3.895 5.947 14.960 236 HG2 PRO 32 HG3 PRO 32 1.808 7.182 13.184 237 HG3 PRO 32 HG2 PRO 32 2.966 7.966 14.276 238 HD2 PRO 32 HD3 PRO 32 3.360 7.936 11.624 239 HD3 PRO 32 HD2 PRO 32 4.720 7.805 12.758 240 H TYR 33 H TYR 33 1.546 5.346 11.716 241 HA TYR 33 HA TYR 33 0.108 2.984 12.055 242 HB2 TYR 33 HB2 TYR 33 -0.956 5.014 11.211 243 HB3 TYR 33 HB1 TYR 33 0.027 4.968 9.751 244 HD1 TYR 33 HD1 TYR 33 -0.570 3.491 7.889 245 HD2 TYR 33 HD2 TYR 33 -2.815 3.343 11.523 246 HE1 TYR 33 HE1 TYR 33 -2.270 2.115 6.785 247 HE2 TYR 33 HE2 TYR 33 -4.530 1.977 10.400 248 HH TYR 33 HH TYR 33 -4.011 0.627 7.245 249 H LEU 34 H LEU 34 2.333 3.881 9.436 250 HA LEU 34 HA LEU 34 1.944 1.655 7.750 251 HB2 LEU 34 HB3 LEU 34 4.336 3.512 8.000 252 HB3 LEU 34 HB2 LEU 34 4.126 2.350 6.700 253 HG LEU 34 HG LEU 34 2.342 4.761 7.226 254 HD11 LEU 34 HD11 LEU 34 4.538 5.410 6.391 255 HD12 LEU 34 HD12 LEU 34 3.304 5.681 5.164 256 HD13 LEU 34 HD13 LEU 34 4.386 4.290 5.032 257 HD21 LEU 34 HD21 LEU 34 2.191 2.733 4.961 258 HD22 LEU 34 HD22 LEU 34 1.245 4.220 5.080 259 HD23 LEU 34 HD23 LEU 34 1.016 2.938 6.266 260 H ARG 35 H ARG 35 4.502 2.272 10.241 261 HA ARG 35 HA ARG 35 5.671 -0.340 9.802 262 HB2 ARG 35 HB3 ARG 35 7.141 0.185 11.773 263 HB3 ARG 35 HB2 ARG 35 7.220 1.303 10.428 264 HG2 ARG 35 HG3 ARG 35 7.299 2.721 12.242 265 HG3 ARG 35 HG2 ARG 35 5.595 2.777 11.815 266 HD2 ARG 35 HD3 ARG 35 4.988 1.410 13.681 267 HD3 ARG 35 HD2 ARG 35 6.671 0.961 13.992 268 HE ARG 35 HE ARG 35 6.836 3.585 14.330 269 HH11 ARG 35 HH11 ARG 35 4.348 1.489 15.526 270 HH12 ARG 35 HH12 ARG 35 4.079 2.454 16.932 271 HH21 ARG 35 HH21 ARG 35 6.468 4.775 16.137 272 HH22 ARG 35 HH22 ARG 35 5.264 4.283 17.276 273 H GLN 36 H GLN 36 3.220 0.826 12.081 274 HA GLN 36 HA GLN 36 3.063 -1.508 13.716 275 HB2 GLN 36 HB3 GLN 36 0.923 0.502 12.902 276 HB3 GLN 36 HB2 GLN 36 0.608 -0.812 14.033 277 HG2 GLN 36 HG3 GLN 36 2.231 0.088 15.606 278 HG3 GLN 36 HG2 GLN 36 2.708 1.335 14.457 279 HE21 GLN 36 HE21 GLN 36 0.285 0.334 16.746 280 HE22 GLN 36 HE22 GLN 36 -0.587 1.822 16.771 281 H CYS 37 H CYS 37 1.777 -0.755 10.514 282 HA CYS 37 HA CYS 37 0.442 -3.316 10.154 283 HB2 CYS 37 HB3 CYS 37 -0.437 -1.259 9.079 284 HB3 CYS 37 HB2 CYS 37 1.047 -1.114 8.140 285 HG CYS 37 HG CYS 37 -1.682 -2.732 7.393 286 H LYS 38 H LYS 38 3.651 -2.455 10.196 287 HA LYS 38 HA LYS 38 5.605 -3.357 9.561 288 HB2 LYS 38 HB3 LYS 38 3.887 -5.779 8.903 289 HB3 LYS 38 HB2 LYS 38 5.647 -5.810 8.944 290 HG2 LYS 38 HG3 LYS 38 3.820 -5.210 11.295 291 HG3 LYS 38 HG2 LYS 38 4.679 -6.725 11.009 292 HD2 LYS 38 HD3 LYS 38 5.968 -4.015 11.537 293 HD3 LYS 38 HD2 LYS 38 5.815 -5.329 12.704 294 HE2 LYS 38 HE3 LYS 38 7.431 -5.438 10.127 295 HE3 LYS 38 HE2 LYS 38 8.090 -5.211 11.746 296 HZ1 LYS 38 HZ1 LYS 38 7.233 -7.393 12.350 297 HZ2 LYS 38 HZ2 LYS 38 8.306 -7.493 11.048 298 HZ3 LYS 38 HZ3 LYS 38 6.639 -7.620 10.782 299 H VAL 39 H VAL 39 3.799 -2.054 7.366 300 HA VAL 39 HA VAL 39 5.015 -3.116 4.928 301 HB VAL 39 HB VAL 39 3.713 -1.503 3.693 302 HG11 VAL 39 HG11 VAL 39 2.012 -2.570 5.982 303 HG12 VAL 39 HG12 VAL 39 2.496 -3.476 4.548 304 HG13 VAL 39 HG13 VAL 39 1.426 -2.085 4.386 305 HG21 VAL 39 HG21 VAL 39 4.037 0.507 5.091 306 HG22 VAL 39 HG22 VAL 39 2.974 -0.161 6.327 307 HG23 VAL 39 HG23 VAL 39 2.323 0.264 4.742 308 H LEU 40 H LEU 40 5.784 -0.826 7.321 309 HA LEU 40 HA LEU 40 7.863 0.518 5.688 310 HB2 LEU 40 HB3 LEU 40 6.064 1.967 6.666 311 HB3 LEU 40 HB2 LEU 40 6.531 1.426 8.267 312 HG LEU 40 HG LEU 40 8.813 2.470 7.863 313 HD11 LEU 40 HD11 LEU 40 8.783 2.529 5.418 314 HD12 LEU 40 HD12 LEU 40 9.036 4.138 6.084 315 HD13 LEU 40 HD13 LEU 40 7.452 3.692 5.443 316 HD21 LEU 40 HD21 LEU 40 8.058 4.765 8.311 317 HD22 LEU 40 HD22 LEU 40 7.130 3.589 9.240 318 HD23 LEU 40 HD23 LEU 40 6.421 4.335 7.805 319 H ASN 41 H ASN 41 9.926 -0.041 6.167 320 HA ASN 41 HA ASN 41 10.576 -1.581 8.581 321 HB2 ASN 41 HB3 ASN 41 12.341 -0.806 6.216 322 HB3 ASN 41 HB2 ASN 41 12.747 -1.974 7.476 323 HD21 ASN 41 HD21 ASN 41 10.745 -1.350 4.694 324 HD22 ASN 41 HD22 ASN 41 10.268 -2.982 4.421 325 HA PRO 42 HA PRO 42 12.443 1.671 11.081 326 HB2 PRO 42 HB3 PRO 42 14.950 -0.019 11.119 327 HB3 PRO 42 HB2 PRO 42 14.092 0.747 12.467 328 HG2 PRO 42 HG3 PRO 42 13.814 -1.859 12.047 329 HG3 PRO 42 HG2 PRO 42 12.391 -0.882 12.477 330 HD2 PRO 42 HD3 PRO 42 13.207 -1.967 9.785 331 HD3 PRO 42 HD2 PRO 42 11.586 -1.828 10.499 332 H ASP 43 H ASP 43 14.441 0.432 8.423 333 HA ASP 43 HA ASP 43 16.267 2.614 8.240 334 HB2 ASP 43 HB3 ASP 43 15.450 0.590 6.116 335 HB3 ASP 43 HB2 ASP 43 16.891 1.606 6.065 336 H ASP 44 H ASP 44 13.282 1.823 6.417 337 HA ASP 44 HA ASP 44 13.311 4.134 4.715 338 HB2 ASP 44 HB3 ASP 44 10.881 2.462 5.493 339 HB3 ASP 44 HB2 ASP 44 11.061 3.457 4.049 340 H GLU 45 H GLU 45 11.851 3.377 7.814 341 HA GLU 45 HA GLU 45 10.223 5.666 8.174 342 HB2 GLU 45 HB3 GLU 45 9.952 3.631 9.535 343 HB3 GLU 45 HB2 GLU 45 11.561 3.838 10.216 344 HG2 GLU 45 HG3 GLU 45 10.802 5.956 11.291 345 HG3 GLU 45 HG2 GLU 45 9.183 5.675 10.652 346 H GLU 46 H GLU 46 13.506 4.903 9.353 347 HA GLU 46 HA GLU 46 14.167 7.319 10.601 348 HB2 GLU 46 HB3 GLU 46 15.486 5.278 10.902 349 HB3 GLU 46 HB2 GLU 46 15.939 5.267 9.205 350 HG2 GLU 46 HG3 GLU 46 17.795 5.990 10.630 351 HG3 GLU 46 HG2 GLU 46 17.301 7.262 9.516 352 H GLN 47 H GLN 47 14.757 6.250 7.253 353 HA GLN 47 HA GLN 47 15.952 8.438 6.076 354 HB2 GLN 47 HB3 GLN 47 15.605 6.378 4.846 355 HB3 GLN 47 HB2 GLN 47 13.859 6.529 4.973 356 HG2 GLN 47 HG3 GLN 47 13.949 8.528 3.487 357 HG3 GLN 47 HG2 GLN 47 15.689 8.295 3.324 358 HE21 GLN 47 HE21 GLN 47 12.536 7.001 2.499 359 HE22 GLN 47 HE22 GLN 47 13.087 5.958 1.238 360 H VAL 48 H VAL 48 12.416 7.897 6.308 361 HA VAL 48 HA VAL 48 11.571 10.341 5.168 362 HB VAL 48 HB VAL 48 10.178 8.335 6.987 363 HG11 VAL 48 HG11 VAL 48 8.917 10.793 5.722 364 HG12 VAL 48 HG12 VAL 48 9.082 10.463 7.449 365 HG13 VAL 48 HG13 VAL 48 8.018 9.465 6.458 366 HG21 VAL 48 HG21 VAL 48 9.834 8.944 4.020 367 HG22 VAL 48 HG22 VAL 48 8.951 7.712 4.925 368 HG23 VAL 48 HG23 VAL 48 10.694 7.557 4.696 369 H LEU 49 H LEU 49 11.840 9.412 8.612 370 HA LEU 49 HA LEU 49 10.827 11.895 9.631 371 HB2 LEU 49 HB3 LEU 49 12.178 9.565 11.033 372 HB3 LEU 49 HB2 LEU 49 11.433 10.920 11.870 373 HG LEU 49 HG LEU 49 9.958 8.936 10.086 374 HD11 LEU 49 HD11 LEU 49 8.953 8.077 12.129 375 HD12 LEU 49 HD12 LEU 49 9.929 9.178 13.109 376 HD13 LEU 49 HD13 LEU 49 10.705 7.898 12.170 377 HD21 LEU 49 HD21 LEU 49 8.850 11.204 11.780 378 HD22 LEU 49 HD22 LEU 49 7.898 10.003 10.900 379 HD23 LEU 49 HD23 LEU 49 8.903 11.144 10.014 380 H SER 50 H SER 50 14.022 10.850 8.741 381 HA SER 50 HA SER 50 15.513 12.751 10.292 382 HB2 SER 50 HB3 SER 50 16.512 10.709 9.237 383 HB3 SER 50 HB2 SER 50 16.323 11.464 7.656 384 HG SER 50 HG SER 50 18.233 11.844 9.557 385 H ASP 51 H ASP 51 13.604 13.071 7.403 386 HA ASP 51 HA ASP 51 14.180 15.988 7.395 387 HB2 ASP 51 HB3 ASP 51 13.686 14.195 4.974 388 HB3 ASP 51 HB2 ASP 51 13.509 15.945 4.907 389 HA PRO 52 HA PRO 52 9.738 14.876 8.366 390 HB2 PRO 52 HB3 PRO 52 9.426 16.295 10.683 391 HB3 PRO 52 HB2 PRO 52 10.182 14.700 10.632 392 HG2 PRO 52 HG3 PRO 52 11.466 17.402 10.841 393 HG3 PRO 52 HG2 PRO 52 11.929 15.875 11.618 394 HD2 PRO 52 HD3 PRO 52 13.147 16.933 9.343 395 HD3 PRO 52 HD2 PRO 52 13.209 15.224 9.820 396 H ASN 53 H ASN 53 10.724 18.286 9.170 397 HA ASN 53 HA ASN 53 8.309 19.304 7.813 398 HB2 ASN 53 HB3 ASN 53 10.263 20.673 9.707 399 HB3 ASN 53 HB2 ASN 53 8.824 21.434 9.032 400 HD21 ASN 53 HD21 ASN 53 9.594 20.841 11.830 401 HD22 ASN 53 HD22 ASN 53 8.263 19.954 12.480 402 H LEU 54 H LEU 54 11.297 18.614 6.769 403 HA LEU 54 HA LEU 54 12.036 21.114 5.462 404 HB2 LEU 54 HB3 LEU 54 13.274 18.338 5.300 405 HB3 LEU 54 HB2 LEU 54 13.981 19.801 4.624 406 HG LEU 54 HG LEU 54 13.527 19.236 7.584 407 HD11 LEU 54 HD11 LEU 54 15.384 17.945 6.677 408 HD12 LEU 54 HD12 LEU 54 15.959 19.189 7.782 409 HD13 LEU 54 HD13 LEU 54 16.124 19.416 6.038 410 HD21 LEU 54 HD21 LEU 54 14.760 21.699 6.298 411 HD22 LEU 54 HD22 LEU 54 14.737 21.343 8.028 412 HD23 LEU 54 HD23 LEU 54 13.226 21.623 7.170 413 H VAL 55 H VAL 55 12.506 21.153 3.086 414 HA VAL 55 HA VAL 55 10.176 20.451 1.573 415 HB VAL 55 HB VAL 55 11.253 21.552 -0.335 416 HG11 VAL 55 HG11 VAL 55 10.212 22.991 1.366 417 HG12 VAL 55 HG12 VAL 55 11.601 23.800 0.640 418 HG13 VAL 55 HG13 VAL 55 11.738 23.086 2.249 419 HG21 VAL 55 HG21 VAL 55 13.549 20.677 -0.112 420 HG22 VAL 55 HG22 VAL 55 13.798 21.644 1.342 421 HG23 VAL 55 HG23 VAL 55 13.575 22.442 -0.216 422 H ILE 56 H ILE 56 13.011 18.688 2.224 423 HA ILE 56 HA ILE 56 13.136 17.015 -0.103 424 HB ILE 56 HB ILE 56 14.171 16.347 2.690 425 HG12 ILE 56 HG12 ILE 56 15.052 18.564 2.017 426 HG13 ILE 56 HG11 ILE 56 16.341 17.368 2.031 427 HG21 ILE 56 HG21 ILE 56 15.849 14.950 1.504 428 HG22 ILE 56 HG22 ILE 56 15.078 15.341 -0.036 429 HG23 ILE 56 HG23 ILE 56 14.198 14.417 1.181 430 HD11 ILE 56 HD11 ILE 56 14.927 18.411 -0.429 431 HD12 ILE 56 HD12 ILE 56 16.247 17.237 -0.411 432 HD13 ILE 56 HD13 ILE 56 16.525 18.886 0.143 433 H ARG 57 H ARG 57 11.076 17.103 2.702 434 HA ARG 57 HA ARG 57 9.974 14.629 3.044 435 HB2 ARG 57 HB3 ARG 57 9.101 16.559 4.269 436 HB3 ARG 57 HB2 ARG 57 8.522 17.301 2.784 437 HG2 ARG 57 HG3 ARG 57 6.920 15.318 2.556 438 HG3 ARG 57 HG2 ARG 57 7.394 14.858 4.190 439 HD2 ARG 57 HD3 ARG 57 6.104 17.504 3.417 440 HD3 ARG 57 HD2 ARG 57 5.254 16.127 4.123 441 HE ARG 57 HE ARG 57 7.382 16.838 5.800 442 HH11 ARG 57 HH11 ARG 57 4.301 18.118 4.863 443 HH12 ARG 57 HH12 ARG 57 4.110 18.972 6.354 444 HH21 ARG 57 HH21 ARG 57 7.075 17.917 7.683 445 HH22 ARG 57 HH22 ARG 57 5.650 18.859 7.923 446 H LYS 58 H LYS 58 8.996 16.929 0.483 447 HA LYS 58 HA LYS 58 7.013 15.532 -0.840 448 HB2 LYS 58 HB3 LYS 58 7.572 17.879 -1.328 449 HB3 LYS 58 HB2 LYS 58 9.117 17.395 -2.018 450 HG2 LYS 58 HG3 LYS 58 7.896 16.188 -3.837 451 HG3 LYS 58 HG2 LYS 58 6.369 16.767 -3.167 452 HD2 LYS 58 HD3 LYS 58 8.616 18.517 -4.246 453 HD3 LYS 58 HD2 LYS 58 7.116 18.138 -5.093 454 HE2 LYS 58 HE3 LYS 58 5.821 19.316 -3.366 455 HE3 LYS 58 HE2 LYS 58 7.302 19.650 -2.462 456 HZ1 LYS 58 HZ1 LYS 58 6.637 21.548 -3.765 457 HZ2 LYS 58 HZ2 LYS 58 6.665 20.635 -5.185 458 HZ3 LYS 58 HZ3 LYS 58 8.101 20.936 -4.348 459 H ARG 59 H ARG 59 10.490 15.516 -1.624 460 HA ARG 59 HA ARG 59 10.503 13.639 -3.713 461 HB2 ARG 59 HB3 ARG 59 12.669 14.335 -1.688 462 HB3 ARG 59 HB2 ARG 59 12.952 13.361 -3.131 463 HG2 ARG 59 HG3 ARG 59 12.320 15.263 -4.557 464 HG3 ARG 59 HG2 ARG 59 11.987 16.241 -3.125 465 HD2 ARG 59 HD3 ARG 59 14.343 16.144 -2.466 466 HD3 ARG 59 HD2 ARG 59 14.703 15.056 -3.807 467 HE ARG 59 HE ARG 59 14.517 16.836 -5.313 468 HH11 ARG 59 HH11 ARG 59 13.872 17.986 -2.102 469 HH12 ARG 59 HH12 ARG 59 14.223 19.623 -2.517 470 HH21 ARG 59 HH21 ARG 59 14.946 18.939 -5.800 471 HH22 ARG 59 HH22 ARG 59 14.826 20.154 -4.575 472 H LYS 60 H LYS 60 10.942 13.200 -0.206 473 HA LYS 60 HA LYS 60 11.425 10.383 -0.347 474 HB2 LYS 60 HB3 LYS 60 10.821 12.156 2.048 475 HB3 LYS 60 HB2 LYS 60 11.244 10.445 2.170 476 HG2 LYS 60 HG3 LYS 60 13.382 10.993 0.906 477 HG3 LYS 60 HG2 LYS 60 12.978 12.700 1.109 478 HD2 LYS 60 HD3 LYS 60 13.103 12.469 3.546 479 HD3 LYS 60 HD2 LYS 60 13.372 10.728 3.398 480 HE2 LYS 60 HE3 LYS 60 15.496 11.233 2.136 481 HE3 LYS 60 HE2 LYS 60 15.244 12.944 2.478 482 HZ1 LYS 60 HZ1 LYS 60 16.777 11.942 4.028 483 HZ2 LYS 60 HZ2 LYS 60 15.620 10.808 4.502 484 HZ3 LYS 60 HZ3 LYS 60 15.381 12.447 4.833 485 H VAL 61 H VAL 61 8.411 12.207 -0.120 486 HA VAL 61 HA VAL 61 6.747 10.007 0.657 487 HB VAL 61 HB VAL 61 5.856 12.311 -1.146 488 HG11 VAL 61 HG11 VAL 61 4.218 10.477 0.647 489 HG12 VAL 61 HG12 VAL 61 4.264 10.427 -1.115 490 HG13 VAL 61 HG13 VAL 61 3.580 11.830 -0.293 491 HG21 VAL 61 HG21 VAL 61 5.821 12.211 1.870 492 HG22 VAL 61 HG22 VAL 61 5.044 13.452 0.886 493 HG23 VAL 61 HG23 VAL 61 6.798 13.277 0.866 494 H GLY 62 H GLY 62 7.742 11.309 -2.531 495 HA2 GLY 62 HA3 GLY 62 6.465 9.384 -4.177 496 HA3 GLY 62 HA2 GLY 62 7.850 10.369 -4.627 497 H VAL 63 H VAL 63 9.755 9.463 -2.814 498 HA VAL 63 HA VAL 63 10.706 6.987 -3.783 499 HB VAL 63 HB VAL 63 11.420 8.511 -1.237 500 HG11 VAL 63 HG11 VAL 63 12.912 6.151 -2.452 501 HG12 VAL 63 HG12 VAL 63 12.050 6.156 -0.912 502 HG13 VAL 63 HG13 VAL 63 13.491 7.150 -1.115 503 HG21 VAL 63 HG21 VAL 63 13.416 9.254 -2.496 504 HG22 VAL 63 HG22 VAL 63 11.933 9.735 -3.319 505 HG23 VAL 63 HG23 VAL 63 12.863 8.360 -3.916 506 H LEU 64 H LEU 64 8.849 7.814 -0.838 507 HA LEU 64 HA LEU 64 8.791 5.270 0.373 508 HB2 LEU 64 HB3 LEU 64 8.144 7.359 1.538 509 HB3 LEU 64 HB2 LEU 64 6.719 7.488 0.523 510 HG LEU 64 HG LEU 64 5.823 5.381 1.533 511 HD11 LEU 64 HD11 LEU 64 8.233 5.520 3.366 512 HD12 LEU 64 HD12 LEU 64 7.904 4.281 2.151 513 HD13 LEU 64 HD13 LEU 64 6.850 4.437 3.553 514 HD21 LEU 64 HD21 LEU 64 6.478 7.541 3.566 515 HD22 LEU 64 HD22 LEU 64 5.200 6.332 3.710 516 HD23 LEU 64 HD23 LEU 64 5.118 7.547 2.438 517 H LEU 65 H LEU 65 6.575 6.722 -2.025 518 HA LEU 65 HA LEU 65 4.658 4.659 -2.231 519 HB2 LEU 65 HB3 LEU 65 5.669 6.541 -4.402 520 HB3 LEU 65 HB2 LEU 65 4.195 5.589 -4.511 521 HG LEU 65 HG LEU 65 4.683 7.799 -2.474 522 HD11 LEU 65 HD11 LEU 65 3.006 7.893 -4.999 523 HD12 LEU 65 HD12 LEU 65 4.538 8.728 -4.730 524 HD13 LEU 65 HD13 LEU 65 3.124 9.163 -3.775 525 HD21 LEU 65 HD21 LEU 65 2.285 7.598 -1.968 526 HD22 LEU 65 HD22 LEU 65 3.143 6.099 -1.628 527 HD23 LEU 65 HD23 LEU 65 2.151 6.235 -3.083 528 H ASP 66 H ASP 66 7.730 5.170 -3.881 529 HA ASP 66 HA ASP 66 7.687 2.958 -5.658 530 HB2 ASP 66 HB3 ASP 66 9.057 5.007 -5.961 531 HB3 ASP 66 HB2 ASP 66 10.019 4.578 -4.550 532 H ILE 67 H ILE 67 8.967 3.340 -2.353 533 HA ILE 67 HA ILE 67 10.111 0.743 -2.017 534 HB ILE 67 HB ILE 67 8.945 2.686 0.041 535 HG12 ILE 67 HG12 ILE 67 11.874 2.195 -0.658 536 HG13 ILE 67 HG11 ILE 67 10.919 3.520 -1.308 537 HG21 ILE 67 HG21 ILE 67 10.239 1.463 1.776 538 HG22 ILE 67 HG22 ILE 67 10.675 0.242 0.580 539 HG23 ILE 67 HG23 ILE 67 8.987 0.453 1.047 540 HD11 ILE 67 HD11 ILE 67 12.339 4.264 0.506 541 HD12 ILE 67 HD12 ILE 67 11.601 3.096 1.603 542 HD13 ILE 67 HD13 ILE 67 10.640 4.428 0.951 543 H LEU 68 H LEU 68 6.916 2.080 -1.161 544 HA LEU 68 HA LEU 68 5.769 -0.290 -0.113 545 HB2 LEU 68 HB3 LEU 68 4.459 2.247 -1.140 546 HB3 LEU 68 HB2 LEU 68 3.581 0.959 -0.331 547 HG LEU 68 HG LEU 68 5.742 2.707 0.914 548 HD11 LEU 68 HD11 LEU 68 2.751 2.639 1.427 549 HD12 LEU 68 HD12 LEU 68 3.647 3.911 0.594 550 HD13 LEU 68 HD13 LEU 68 3.934 3.616 2.306 551 HD21 LEU 68 HD21 LEU 68 5.873 0.456 1.854 552 HD22 LEU 68 HD22 LEU 68 4.142 0.471 2.205 553 HD23 LEU 68 HD23 LEU 68 5.227 1.583 3.045 554 H GLN 69 H GLN 69 6.141 0.884 -3.362 555 HA GLN 69 HA GLN 69 4.224 -0.617 -4.750 556 HB2 GLN 69 HB3 GLN 69 5.573 1.209 -5.723 557 HB3 GLN 69 HB2 GLN 69 7.017 0.219 -5.634 558 HG2 GLN 69 HG3 GLN 69 4.674 -0.744 -7.279 559 HG3 GLN 69 HG2 GLN 69 5.713 0.531 -7.911 560 HE21 GLN 69 HE21 GLN 69 5.492 -2.863 -7.170 561 HE22 GLN 69 HE22 GLN 69 6.995 -3.316 -7.891 562 H ARG 70 H ARG 70 7.651 -1.569 -4.000 563 HA ARG 70 HA ARG 70 7.440 -4.157 -5.152 564 HB2 ARG 70 HB3 ARG 70 9.483 -2.781 -3.496 565 HB3 ARG 70 HB2 ARG 70 9.471 -4.524 -3.290 566 HG2 ARG 70 HG3 ARG 70 11.049 -4.106 -5.002 567 HG3 ARG 70 HG2 ARG 70 9.616 -4.730 -5.818 568 HD2 ARG 70 HD3 ARG 70 10.412 -2.909 -7.137 569 HD3 ARG 70 HD2 ARG 70 8.976 -2.310 -6.292 570 HE ARG 70 HE ARG 70 11.243 -1.737 -4.738 571 HH11 ARG 70 HH11 ARG 70 9.791 -0.662 -7.704 572 HH12 ARG 70 HH12 ARG 70 10.530 0.896 -7.585 573 HH21 ARG 70 HH21 ARG 70 12.176 0.225 -4.675 574 HH22 ARG 70 HH22 ARG 70 11.860 1.378 -5.922 575 H THR 71 H THR 71 6.773 -3.068 -1.846 576 HA THR 71 HA THR 71 5.906 -5.764 -1.036 577 HB THR 71 HB THR 71 7.153 -4.485 0.648 578 HG1 THR 71 HG1 THR 71 4.756 -5.589 1.084 579 HG21 THR 71 HG21 THR 71 4.892 -2.464 0.582 580 HG22 THR 71 HG22 THR 71 6.547 -2.188 0.033 581 HG23 THR 71 HG23 THR 71 6.221 -2.484 1.743 582 H GLY 72 H GLY 72 4.523 -4.152 -3.175 583 HA2 GLY 72 HA3 GLY 72 2.345 -2.682 -2.628 584 HA3 GLY 72 HA2 GLY 72 2.422 -3.784 -3.981 585 H HIS 73 H HIS 73 2.277 -6.241 -2.314 586 HA HIS 73 HA HIS 73 -0.503 -6.615 -2.184 587 HB2 HIS 73 HB2 HIS 73 1.211 -8.465 -2.303 588 HB3 HIS 73 HB1 HIS 73 1.623 -8.168 -0.619 589 HD1 HIS 73 HD1 HIS 73 0.708 -10.093 0.657 590 HD2 HIS 73 HD2 HIS 73 -1.949 -8.824 -2.255 591 HE1 HIS 73 HE1 HIS 73 -1.302 -11.559 0.913 592 HE2 HIS 73 HE2 HIS 73 -2.855 -10.843 -0.929 593 H LYS 74 H LYS 74 1.795 -6.071 0.483 594 HA LYS 74 HA LYS 74 -0.266 -5.557 2.465 595 HB2 LYS 74 HB3 LYS 74 2.768 -5.581 2.461 596 HB3 LYS 74 HB2 LYS 74 1.909 -4.858 3.810 597 HG2 LYS 74 HG3 LYS 74 1.551 -7.726 2.889 598 HG3 LYS 74 HG2 LYS 74 2.598 -7.219 4.219 599 HD2 LYS 74 HD3 LYS 74 -0.429 -6.853 4.091 600 HD3 LYS 74 HD2 LYS 74 0.424 -8.062 5.055 601 HE2 LYS 74 HE3 LYS 74 1.460 -6.282 6.404 602 HE3 LYS 74 HE2 LYS 74 0.688 -5.050 5.405 603 HZ1 LYS 74 HZ1 LYS 74 -0.523 -5.365 7.436 604 HZ2 LYS 74 HZ2 LYS 74 -0.696 -7.020 7.135 605 HZ3 LYS 74 HZ3 LYS 74 -1.465 -5.895 6.134 606 H GLY 75 H GLY 75 2.304 -3.671 0.898 607 HA2 GLY 75 HA3 GLY 75 2.067 -1.221 2.092 608 HA3 GLY 75 HA2 GLY 75 2.661 -1.473 0.463 609 H TYR 76 H TYR 76 0.364 -2.230 -0.916 610 HA TYR 76 HA TYR 76 -0.785 0.314 -1.445 611 HB2 TYR 76 HB2 TYR 76 -0.513 -1.583 -3.129 612 HB3 TYR 76 HB1 TYR 76 -1.892 -2.364 -2.377 613 HD1 TYR 76 HD1 TYR 76 -4.044 -1.942 -3.298 614 HD2 TYR 76 HD2 TYR 76 -0.959 0.953 -3.871 615 HE1 TYR 76 HE1 TYR 76 -5.551 -0.607 -4.713 616 HE2 TYR 76 HE2 TYR 76 -2.458 2.278 -5.281 617 HH TYR 76 HH TYR 76 -4.458 1.950 -6.662 618 H VAL 77 H VAL 77 -2.242 -2.634 -0.052 619 HA VAL 77 HA VAL 77 -4.843 -1.666 0.408 620 HB VAL 77 HB VAL 77 -3.343 -3.850 1.931 621 HG11 VAL 77 HG11 VAL 77 -5.581 -4.781 2.464 622 HG12 VAL 77 HG12 VAL 77 -6.343 -3.381 1.706 623 HG13 VAL 77 HG13 VAL 77 -5.361 -3.171 3.158 624 HG21 VAL 77 HG21 VAL 77 -5.116 -4.082 -0.536 625 HG22 VAL 77 HG22 VAL 77 -4.384 -5.432 0.334 626 HG23 VAL 77 HG23 VAL 77 -3.360 -4.263 -0.504 627 H ALA 78 H ALA 78 -2.073 -1.906 2.646 628 HA ALA 78 HA ALA 78 -3.192 -0.696 4.924 629 HB1 ALA 78 HB1 ALA 78 -1.080 -1.960 4.958 630 HB2 ALA 78 HB2 ALA 78 -0.875 -0.361 5.673 631 HB3 ALA 78 HB3 ALA 78 -0.288 -0.682 4.038 632 H PHE 79 H PHE 79 -1.480 0.768 2.144 633 HA PHE 79 HA PHE 79 -1.343 3.426 3.190 634 HB2 PHE 79 HB2 PHE 79 0.117 2.477 1.349 635 HB3 PHE 79 HB1 PHE 79 -1.253 2.594 0.257 636 HD1 PHE 79 HD1 PHE 79 -1.358 4.525 -1.100 637 HD2 PHE 79 HD2 PHE 79 0.684 4.741 2.653 638 HE1 PHE 79 HE1 PHE 79 -0.692 6.844 -1.586 639 HE2 PHE 79 HE2 PHE 79 1.341 7.054 2.161 640 HZ PHE 79 HZ PHE 79 0.656 8.108 0.044 641 H LEU 80 H LEU 80 -3.721 1.765 1.101 642 HA LEU 80 HA LEU 80 -5.419 3.971 0.573 643 HB2 LEU 80 HB3 LEU 80 -6.056 1.005 0.764 644 HB3 LEU 80 HB2 LEU 80 -7.241 2.209 0.280 645 HG LEU 80 HG LEU 80 -4.727 1.412 -1.236 646 HD11 LEU 80 HD11 LEU 80 -7.675 1.114 -1.899 647 HD12 LEU 80 HD12 LEU 80 -6.549 -0.175 -1.461 648 HD13 LEU 80 HD13 LEU 80 -6.336 0.700 -2.972 649 HD21 LEU 80 HD21 LEU 80 -5.410 3.022 -2.983 650 HD22 LEU 80 HD22 LEU 80 -5.001 3.831 -1.474 651 HD23 LEU 80 HD23 LEU 80 -6.695 3.626 -1.931 652 H GLU 81 H GLU 81 -5.582 1.468 3.134 653 HA GLU 81 HA GLU 81 -7.767 2.593 4.570 654 HB2 GLU 81 HB3 GLU 81 -5.568 0.702 5.495 655 HB3 GLU 81 HB2 GLU 81 -7.018 1.077 6.430 656 HG2 GLU 81 HG3 GLU 81 -8.409 0.161 4.575 657 HG3 GLU 81 HG2 GLU 81 -6.933 -0.279 3.717 658 H SER 82 H SER 82 -4.336 3.292 4.611 659 HA SER 82 HA SER 82 -4.171 4.840 6.991 660 HB2 SER 82 HB3 SER 82 -2.161 4.023 5.748 661 HB3 SER 82 HB2 SER 82 -2.527 5.140 4.434 662 HG SER 82 HG SER 82 -0.957 5.780 6.168 663 H LEU 83 H LEU 83 -4.487 5.855 3.570 664 HA LEU 83 HA LEU 83 -4.931 8.607 4.104 665 HB2 LEU 83 HB3 LEU 83 -5.755 7.036 1.636 666 HB3 LEU 83 HB2 LEU 83 -5.623 8.786 1.752 667 HG LEU 83 HG LEU 83 -3.367 6.755 1.790 668 HD11 LEU 83 HD11 LEU 83 -2.576 7.966 -0.192 669 HD12 LEU 83 HD12 LEU 83 -3.988 9.024 -0.115 670 HD13 LEU 83 HD13 LEU 83 -4.193 7.297 -0.427 671 HD21 LEU 83 HD21 LEU 83 -2.827 8.413 3.490 672 HD22 LEU 83 HD22 LEU 83 -3.139 9.729 2.354 673 HD23 LEU 83 HD23 LEU 83 -1.789 8.625 2.081 674 H GLU 84 H GLU 84 -7.129 5.867 3.866 675 HA GLU 84 HA GLU 84 -9.583 7.213 3.624 676 HB2 GLU 84 HB3 GLU 84 -9.123 4.724 3.359 677 HB3 GLU 84 HB2 GLU 84 -9.102 4.596 5.108 678 HG2 GLU 84 HG3 GLU 84 -11.521 5.704 3.683 679 HG3 GLU 84 HG2 GLU 84 -11.258 3.968 3.756 680 H LEU 85 H LEU 85 -7.663 6.381 6.504 681 HA LEU 85 HA LEU 85 -9.550 7.479 8.408 682 HB2 LEU 85 HB3 LEU 85 -6.679 6.532 8.736 683 HB3 LEU 85 HB2 LEU 85 -7.716 7.012 10.070 684 HG LEU 85 HG LEU 85 -8.212 4.645 8.221 685 HD11 LEU 85 HD11 LEU 85 -7.241 4.675 11.098 686 HD12 LEU 85 HD12 LEU 85 -6.304 4.224 9.671 687 HD13 LEU 85 HD13 LEU 85 -7.673 3.234 10.169 688 HD21 LEU 85 HD21 LEU 85 -9.771 5.537 10.676 689 HD22 LEU 85 HD22 LEU 85 -10.030 4.036 9.781 690 HD23 LEU 85 HD23 LEU 85 -10.329 5.584 8.999 691 H TYR 86 H TYR 86 -6.249 8.447 7.343 692 HA TYR 86 HA TYR 86 -6.244 10.769 9.082 693 HB2 TYR 86 HB2 TYR 86 -4.153 9.689 7.150 694 HB3 TYR 86 HB1 TYR 86 -3.897 11.090 8.187 695 HD1 TYR 86 HD1 TYR 86 -3.788 10.800 10.679 696 HD2 TYR 86 HD2 TYR 86 -4.024 7.428 8.067 697 HE1 TYR 86 HE1 TYR 86 -3.041 9.327 12.501 698 HE2 TYR 86 HE2 TYR 86 -3.282 5.958 9.884 699 HH TYR 86 HH TYR 86 -3.260 6.866 13.092 700 H TYR 87 H TYR 87 -6.472 10.244 5.562 701 HA TYR 87 HA TYR 87 -7.001 13.155 5.167 702 HB2 TYR 87 HB2 TYR 87 -5.510 11.328 3.219 703 HB3 TYR 87 HB1 TYR 87 -5.814 13.044 3.006 704 HD1 TYR 87 HD1 TYR 87 -3.662 10.542 4.610 705 HD2 TYR 87 HD2 TYR 87 -4.499 14.730 4.329 706 HE1 TYR 87 HE1 TYR 87 -1.483 11.047 5.636 707 HE2 TYR 87 HE2 TYR 87 -2.319 15.228 5.355 708 HH TYR 87 HH TYR 87 0.122 12.854 5.790 709 HA PRO 88 HA PRO 88 -10.403 9.955 3.913 710 HB2 PRO 88 HB3 PRO 88 -12.204 12.195 4.832 711 HB3 PRO 88 HB2 PRO 88 -12.342 10.450 5.111 712 HG2 PRO 88 HG3 PRO 88 -11.466 12.012 7.069 713 HG3 PRO 88 HG2 PRO 88 -10.661 10.455 6.767 714 HD2 PRO 88 HD3 PRO 88 -9.766 13.234 5.979 715 HD3 PRO 88 HD2 PRO 88 -8.815 11.895 6.657 716 H GLN 89 H GLN 89 -10.848 13.482 3.257 717 HA GLN 89 HA GLN 89 -12.379 13.108 0.881 718 HB2 GLN 89 HB3 GLN 89 -12.169 15.477 0.482 719 HB3 GLN 89 HB2 GLN 89 -12.429 15.222 2.202 720 HG2 GLN 89 HG3 GLN 89 -10.078 15.673 2.673 721 HG3 GLN 89 HG2 GLN 89 -9.718 15.781 0.948 722 HE21 GLN 89 HE21 GLN 89 -8.985 17.904 1.017 723 HE22 GLN 89 HE22 GLN 89 -10.015 19.245 1.343 724 H LEU 90 H LEU 90 -8.917 13.523 1.455 725 HA LEU 90 HA LEU 90 -8.052 13.835 -1.229 726 HB2 LEU 90 HB3 LEU 90 -6.665 14.401 0.763 727 HB3 LEU 90 HB2 LEU 90 -6.553 12.693 1.154 728 HG LEU 90 HG LEU 90 -5.394 12.358 -1.105 729 HD11 LEU 90 HD11 LEU 90 -5.208 15.381 -1.070 730 HD12 LEU 90 HD12 LEU 90 -6.121 14.400 -2.222 731 HD13 LEU 90 HD13 LEU 90 -4.366 14.293 -2.175 732 HD21 LEU 90 HD21 LEU 90 -4.145 12.331 0.981 733 HD22 LEU 90 HD22 LEU 90 -4.003 14.090 0.951 734 HD23 LEU 90 HD23 LEU 90 -3.209 13.118 -0.288 735 H TYR 91 H TYR 91 -8.379 10.994 0.880 736 HA TYR 91 HA TYR 91 -7.488 8.960 -0.818 737 HB2 TYR 91 HB2 TYR 91 -7.884 8.461 1.511 738 HB3 TYR 91 HB1 TYR 91 -9.565 8.970 1.406 739 HD1 TYR 91 HD1 TYR 91 -11.267 7.370 0.917 740 HD2 TYR 91 HD2 TYR 91 -7.183 6.349 0.172 741 HE1 TYR 91 HE1 TYR 91 -11.937 5.073 0.389 742 HE2 TYR 91 HE2 TYR 91 -7.863 4.050 -0.348 743 HH TYR 91 HH TYR 91 -11.080 3.154 -0.902 744 H LYS 92 H LYS 92 -10.818 10.086 -0.222 745 HA LYS 92 HA LYS 92 -12.174 8.614 -2.173 746 HB2 LYS 92 HB3 LYS 92 -13.271 9.844 -0.328 747 HB3 LYS 92 HB2 LYS 92 -12.820 11.377 -1.064 748 HG2 LYS 92 HG3 LYS 92 -14.279 10.879 -2.999 749 HG3 LYS 92 HG2 LYS 92 -14.714 9.330 -2.272 750 HD2 LYS 92 HD3 LYS 92 -16.486 10.994 -1.902 751 HD3 LYS 92 HD2 LYS 92 -15.763 10.501 -0.370 752 HE2 LYS 92 HE3 LYS 92 -14.433 12.582 -0.322 753 HE3 LYS 92 HE2 LYS 92 -15.121 13.068 -1.874 754 HZ1 LYS 92 HZ1 LYS 92 -17.301 13.120 -0.847 755 HZ2 LYS 92 HZ2 LYS 92 -16.234 14.144 -0.030 756 HZ3 LYS 92 HZ3 LYS 92 -16.647 12.647 0.638 757 H LYS 93 H LYS 93 -10.403 11.659 -2.464 758 HA LYS 93 HA LYS 93 -11.222 12.320 -5.118 759 HB2 LYS 93 HB3 LYS 93 -10.244 13.919 -3.400 760 HB3 LYS 93 HB2 LYS 93 -8.668 13.197 -3.715 761 HG2 LYS 93 HG3 LYS 93 -8.995 13.845 -6.153 762 HG3 LYS 93 HG2 LYS 93 -10.410 14.763 -5.639 763 HD2 LYS 93 HD3 LYS 93 -8.900 16.094 -4.118 764 HD3 LYS 93 HD2 LYS 93 -7.522 15.221 -4.796 765 HE2 LYS 93 HE3 LYS 93 -9.413 17.087 -6.267 766 HE3 LYS 93 HE2 LYS 93 -7.704 17.353 -5.924 767 HZ1 LYS 93 HZ1 LYS 93 -8.015 16.680 -8.199 768 HZ2 LYS 93 HZ2 LYS 93 -8.825 15.273 -7.725 769 HZ3 LYS 93 HZ3 LYS 93 -7.188 15.466 -7.365 770 H VAL 94 H VAL 94 -8.249 10.731 -3.850 771 HA VAL 94 HA VAL 94 -7.058 10.431 -6.468 772 HB VAL 94 HB VAL 94 -5.178 9.318 -5.349 773 HG11 VAL 94 HG11 VAL 94 -5.210 11.775 -5.378 774 HG12 VAL 94 HG12 VAL 94 -4.443 11.192 -3.903 775 HG13 VAL 94 HG13 VAL 94 -6.096 11.808 -3.850 776 HG21 VAL 94 HG21 VAL 94 -5.128 8.986 -2.881 777 HG22 VAL 94 HG22 VAL 94 -6.364 7.989 -3.649 778 HG23 VAL 94 HG23 VAL 94 -6.826 9.457 -2.785 779 H THR 95 H THR 95 -9.264 8.526 -4.669 780 HA THR 95 HA THR 95 -8.866 6.201 -6.456 781 HB THR 95 HB THR 95 -10.645 5.096 -5.113 782 HG1 THR 95 HG1 THR 95 -10.613 7.153 -3.203 783 HG21 THR 95 HG21 THR 95 -8.433 6.309 -3.403 784 HG22 THR 95 HG22 THR 95 -8.319 4.820 -4.351 785 HG23 THR 95 HG23 THR 95 -9.407 4.906 -2.963 786 H GLY 96 H GLY 96 -10.713 9.086 -6.193 787 HA2 GLY 96 HA3 GLY 96 -12.888 8.219 -7.975 788 HA3 GLY 96 HA2 GLY 96 -12.740 9.767 -7.163 789 H LYS 97 H LYS 97 -11.751 7.885 -9.947 790 HA LYS 97 HA LYS 97 -10.126 9.819 -11.243 791 HB2 LYS 97 HB3 LYS 97 -10.674 8.458 -13.362 792 HB3 LYS 97 HB2 LYS 97 -9.862 7.622 -12.048 793 HG2 LYS 97 HG3 LYS 97 -11.628 6.211 -11.639 794 HG3 LYS 97 HG2 LYS 97 -12.844 7.418 -12.046 795 HD2 LYS 97 HD3 LYS 97 -11.139 6.180 -14.225 796 HD3 LYS 97 HD2 LYS 97 -12.534 5.314 -13.589 797 HE2 LYS 97 HE3 LYS 97 -13.094 6.564 -15.639 798 HE3 LYS 97 HE2 LYS 97 -14.019 7.143 -14.258 799 HZ1 LYS 97 HZ1 LYS 97 -13.151 8.915 -15.708 800 HZ2 LYS 97 HZ2 LYS 97 -11.575 8.462 -15.296 801 HZ3 LYS 97 HZ3 LYS 97 -12.624 9.049 -14.108 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -0.952 -21.530 -3.197 2 H2 MET 1 HT2 MET 1 0.421 -20.565 -3.043 3 H3 MET 1 HT3 MET 1 0.470 -22.181 -2.556 4 HA MET 1 HA MET 1 1.598 -21.905 -4.644 5 HB2 MET 1 HB2 MET 1 -1.061 -23.370 -4.903 6 HB3 MET 1 HB1 MET 1 0.314 -23.599 -5.978 7 HG2 MET 1 HG2 MET 1 1.651 -24.446 -4.085 8 HG3 MET 1 HG1 MET 1 0.263 -24.226 -3.013 9 HE1 MET 1 HE1 MET 1 -2.282 -26.853 -4.477 10 HE2 MET 1 HE2 MET 1 -2.172 -25.162 -4.959 11 HE3 MET 1 HE3 MET 1 -2.021 -25.607 -3.257 12 H SER 2 H SER 2 -1.867 -20.994 -4.929 13 HA SER 2 HA SER 2 -1.728 -19.895 -7.544 14 HB2 SER 2 HB3 SER 2 -3.733 -19.271 -5.320 15 HB3 SER 2 HB2 SER 2 -3.940 -18.901 -7.034 16 HG SER 2 HG SER 2 -4.069 -21.066 -7.477 17 H ASP 3 H ASP 3 -2.531 -17.879 -4.703 18 HA ASP 3 HA ASP 3 -1.890 -15.857 -3.935 19 HB2 ASP 3 HB3 ASP 3 0.861 -16.702 -4.920 20 HB3 ASP 3 HB2 ASP 3 0.529 -15.501 -3.671 21 H TYR 4 H TYR 4 -2.466 -16.044 -6.985 22 HA TYR 4 HA TYR 4 -0.909 -13.942 -8.220 23 HB2 TYR 4 HB2 TYR 4 -1.724 -15.864 -9.540 24 HB3 TYR 4 HB1 TYR 4 -3.390 -15.445 -9.167 25 HD1 TYR 4 HD1 TYR 4 -0.399 -14.457 -11.150 26 HD2 TYR 4 HD2 TYR 4 -4.536 -13.661 -10.399 27 HE1 TYR 4 HE1 TYR 4 -0.512 -13.075 -13.186 28 HE2 TYR 4 HE2 TYR 4 -4.640 -12.287 -12.430 29 HH TYR 4 HH TYR 4 -2.301 -12.340 -14.812 30 H GLU 5 H GLU 5 -1.497 -11.819 -8.526 31 HA GLU 5 HA GLU 5 -4.151 -10.808 -7.947 32 HB2 GLU 5 HB3 GLU 5 -3.428 -9.351 -6.065 33 HB3 GLU 5 HB2 GLU 5 -3.299 -11.062 -5.674 34 HG2 GLU 5 HG3 GLU 5 -0.832 -10.914 -6.196 35 HG3 GLU 5 HG2 GLU 5 -1.027 -9.166 -6.354 36 H ASN 6 H ASN 6 -3.693 -8.157 -7.641 37 HA ASN 6 HA ASN 6 -1.965 -7.188 -9.797 38 HB2 ASN 6 HB3 ASN 6 -4.057 -7.879 -10.925 39 HB3 ASN 6 HB2 ASN 6 -5.012 -6.910 -9.813 40 HD21 ASN 6 HD21 ASN 6 -5.169 -4.708 -10.161 41 HD22 ASN 6 HD22 ASN 6 -4.575 -3.937 -11.585 42 H ASP 7 H ASP 7 -1.201 -6.590 -7.489 43 HA ASP 7 HA ASP 7 -2.477 -4.279 -6.245 44 HB2 ASP 7 HB3 ASP 7 -0.540 -4.417 -4.652 45 HB3 ASP 7 HB2 ASP 7 -1.455 -5.914 -4.776 46 H ASP 8 H ASP 8 0.405 -4.951 -8.165 47 HA ASP 8 HA ASP 8 1.757 -2.514 -8.078 48 HB2 ASP 8 HB3 ASP 8 2.751 -3.310 -10.315 49 HB3 ASP 8 HB2 ASP 8 2.904 -4.404 -8.947 50 H GLU 9 H GLU 9 -0.700 -3.558 -10.493 51 HA GLU 9 HA GLU 9 -0.766 -1.145 -11.989 52 HB2 GLU 9 HB3 GLU 9 -1.660 -3.267 -12.865 53 HB3 GLU 9 HB2 GLU 9 -2.915 -3.271 -11.633 54 HG2 GLU 9 HG3 GLU 9 -3.800 -1.123 -12.650 55 HG3 GLU 9 HG2 GLU 9 -2.641 -1.341 -13.961 56 H CYS 10 H CYS 10 -2.483 -2.160 -9.061 57 HA CYS 10 HA CYS 10 -4.311 0.010 -8.884 58 HB2 CYS 10 HB3 CYS 10 -3.149 -1.781 -6.725 59 HB3 CYS 10 HB2 CYS 10 -4.457 -0.634 -6.457 60 HG CYS 10 HG CYS 10 -4.815 -3.681 -7.196 61 H TRP 11 H TRP 11 -0.965 -0.375 -7.682 62 HA TRP 11 HA TRP 11 -0.655 2.215 -6.545 63 HB2 TRP 11 HB2 TRP 11 1.340 0.239 -7.703 64 HB3 TRP 11 HB1 TRP 11 1.859 1.824 -7.143 65 HD1 TRP 11 HD1 TRP 11 0.909 -1.609 -5.846 66 HE1 TRP 11 HE1 TRP 11 1.271 -1.651 -3.310 67 HE3 TRP 11 HE3 TRP 11 1.660 3.394 -4.999 68 HZ2 TRP 11 HZ2 TRP 11 1.814 0.140 -1.233 69 HZ3 TRP 11 HZ3 TRP 11 2.083 4.140 -2.690 70 HH2 TRP 11 HH2 TRP 11 2.158 2.542 -0.841 71 H SER 12 H SER 12 -0.262 0.992 -9.859 72 HA SER 12 HA SER 12 0.816 3.310 -11.071 73 HB2 SER 12 HB3 SER 12 0.864 1.070 -12.136 74 HB3 SER 12 HB2 SER 12 -0.882 1.127 -12.354 75 HG SER 12 HG SER 12 1.139 2.550 -13.684 76 H VAL 13 H VAL 13 -2.519 2.398 -10.350 77 HA VAL 13 HA VAL 13 -3.912 4.451 -11.710 78 HB VAL 13 HB VAL 13 -4.644 3.002 -9.120 79 HG11 VAL 13 HG11 VAL 13 -6.992 3.721 -9.538 80 HG12 VAL 13 HG12 VAL 13 -6.438 4.727 -10.878 81 HG13 VAL 13 HG13 VAL 13 -5.923 5.090 -9.231 82 HG21 VAL 13 HG21 VAL 13 -5.537 2.478 -11.988 83 HG22 VAL 13 HG22 VAL 13 -6.114 1.614 -10.560 84 HG23 VAL 13 HG23 VAL 13 -4.426 1.482 -11.046 85 H LEU 14 H LEU 14 -2.741 4.330 -8.313 86 HA LEU 14 HA LEU 14 -3.365 7.046 -7.665 87 HB2 LEU 14 HB3 LEU 14 -1.372 5.172 -6.330 88 HB3 LEU 14 HB2 LEU 14 -1.936 6.698 -5.657 89 HG LEU 14 HG LEU 14 -3.570 4.168 -6.081 90 HD11 LEU 14 HD11 LEU 14 -2.773 5.605 -3.529 91 HD12 LEU 14 HD12 LEU 14 -2.105 4.086 -4.132 92 HD13 LEU 14 HD13 LEU 14 -3.793 4.165 -3.637 93 HD21 LEU 14 HD21 LEU 14 -5.486 5.357 -5.078 94 HD22 LEU 14 HD22 LEU 14 -5.003 6.079 -6.609 95 HD23 LEU 14 HD23 LEU 14 -4.567 6.866 -5.090 96 H GLU 15 H GLU 15 -0.648 5.545 -9.228 97 HA GLU 15 HA GLU 15 1.390 7.462 -8.802 98 HB2 GLU 15 HB3 GLU 15 1.244 4.957 -9.985 99 HB3 GLU 15 HB2 GLU 15 1.463 5.969 -11.394 100 HG2 GLU 15 HG3 GLU 15 3.321 5.777 -9.004 101 HG3 GLU 15 HG2 GLU 15 3.583 5.056 -10.590 102 H GLY 16 H GLY 16 -1.187 7.222 -11.218 103 HA2 GLY 16 HA3 GLY 16 -0.583 9.362 -12.926 104 HA3 GLY 16 HA2 GLY 16 -2.201 8.805 -12.537 105 H PHE 17 H PHE 17 -1.743 9.404 -9.630 106 HA PHE 17 HA PHE 17 -2.241 12.320 -9.628 107 HB2 PHE 17 HB2 PHE 17 -2.750 10.228 -7.457 108 HB3 PHE 17 HB1 PHE 17 -3.214 11.922 -7.369 109 HD1 PHE 17 HD1 PHE 17 -3.942 8.680 -9.046 110 HD2 PHE 17 HD2 PHE 17 -5.232 12.713 -8.437 111 HE1 PHE 17 HE1 PHE 17 -6.129 8.136 -10.044 112 HE2 PHE 17 HE2 PHE 17 -7.412 12.159 -9.432 113 HZ PHE 17 HZ PHE 17 -7.866 9.878 -10.236 114 H ARG 18 H ARG 18 0.542 10.905 -9.703 115 HA ARG 18 HA ARG 18 1.990 10.735 -7.421 116 HB2 ARG 18 HB3 ARG 18 2.918 10.413 -9.718 117 HB3 ARG 18 HB2 ARG 18 2.991 12.159 -9.924 118 HG2 ARG 18 HG3 ARG 18 4.568 12.194 -7.892 119 HG3 ARG 18 HG2 ARG 18 4.632 10.435 -8.039 120 HD2 ARG 18 HD3 ARG 18 5.496 12.456 -10.141 121 HD3 ARG 18 HD2 ARG 18 6.559 11.462 -9.139 122 HE ARG 18 HE ARG 18 4.803 9.803 -10.603 123 HH11 ARG 18 HH11 ARG 18 7.605 11.781 -11.115 124 HH12 ARG 18 HH12 ARG 18 8.103 10.861 -12.490 125 HH21 ARG 18 HH21 ARG 18 5.485 8.664 -12.330 126 HH22 ARG 18 HH22 ARG 18 6.922 9.132 -13.172 127 H VAL 19 H VAL 19 1.503 13.890 -9.091 128 HA VAL 19 HA VAL 19 2.976 15.502 -7.300 129 HB VAL 19 HB VAL 19 0.661 16.331 -9.111 130 HG11 VAL 19 HG11 VAL 19 2.785 18.087 -7.806 131 HG12 VAL 19 HG12 VAL 19 1.066 18.066 -7.412 132 HG13 VAL 19 HG13 VAL 19 1.598 18.633 -8.995 133 HG21 VAL 19 HG21 VAL 19 2.488 15.259 -10.367 134 HG22 VAL 19 HG22 VAL 19 3.663 16.355 -9.637 135 HG23 VAL 19 HG23 VAL 19 2.428 16.985 -10.730 136 H THR 20 H THR 20 -0.523 14.777 -7.406 137 HA THR 20 HA THR 20 -1.414 16.290 -5.208 138 HB THR 20 HB THR 20 -2.532 13.600 -6.133 139 HG1 THR 20 HG1 THR 20 -3.713 14.759 -7.616 140 HG21 THR 20 HG21 THR 20 -3.926 15.913 -4.714 141 HG22 THR 20 HG22 THR 20 -3.522 14.358 -3.985 142 HG23 THR 20 HG23 THR 20 -4.704 14.436 -5.289 143 H LEU 21 H LEU 21 -0.179 12.945 -5.354 144 HA LEU 21 HA LEU 21 -0.512 12.226 -2.635 145 HB2 LEU 21 HB3 LEU 21 1.636 11.195 -4.530 146 HB3 LEU 21 HB2 LEU 21 1.076 10.407 -3.063 147 HG LEU 21 HG LEU 21 -0.430 10.710 -5.686 148 HD11 LEU 21 HD11 LEU 21 1.244 8.931 -5.670 149 HD12 LEU 21 HD12 LEU 21 -0.382 8.260 -5.738 150 HD13 LEU 21 HD13 LEU 21 0.521 8.229 -4.220 151 HD21 LEU 21 HD21 LEU 21 -2.053 11.040 -3.888 152 HD22 LEU 21 HD22 LEU 21 -1.518 9.556 -3.096 153 HD23 LEU 21 HD23 LEU 21 -2.309 9.483 -4.673 154 H THR 22 H THR 22 2.337 13.478 -4.378 155 HA THR 22 HA THR 22 4.056 13.490 -2.077 156 HB THR 22 HB THR 22 5.737 14.547 -3.567 157 HG1 THR 22 HG1 THR 22 4.164 14.325 -5.847 158 HG21 THR 22 HG21 THR 22 5.509 12.083 -3.600 159 HG22 THR 22 HG22 THR 22 5.963 12.698 -5.190 160 HG23 THR 22 HG23 THR 22 4.297 12.207 -4.877 161 H SER 23 H SER 23 1.727 15.734 -3.185 162 HA SER 23 HA SER 23 2.974 18.038 -1.838 163 HB2 SER 23 HB3 SER 23 1.867 18.500 -3.985 164 HB3 SER 23 HB2 SER 23 0.347 17.844 -3.374 165 HG SER 23 HG SER 23 0.898 20.286 -3.309 166 H VAL 24 H VAL 24 -0.105 16.158 -1.609 167 HA VAL 24 HA VAL 24 -0.874 17.607 0.813 168 HB VAL 24 HB VAL 24 -2.381 15.317 -0.515 169 HG11 VAL 24 HG11 VAL 24 -3.348 17.500 1.381 170 HG12 VAL 24 HG12 VAL 24 -3.123 15.798 1.790 171 HG13 VAL 24 HG13 VAL 24 -4.367 16.266 0.630 172 HG21 VAL 24 HG21 VAL 24 -2.672 18.305 -1.049 173 HG22 VAL 24 HG22 VAL 24 -3.699 17.034 -1.717 174 HG23 VAL 24 HG23 VAL 24 -1.995 17.116 -2.165 175 H ILE 25 H ILE 25 0.054 14.258 -0.029 176 HA ILE 25 HA ILE 25 -0.342 13.254 2.667 177 HB ILE 25 HB ILE 25 1.056 11.862 0.336 178 HG12 ILE 25 HG12 ILE 25 -1.842 11.547 1.220 179 HG13 ILE 25 HG11 ILE 25 -1.329 12.540 -0.144 180 HG21 ILE 25 HG21 ILE 25 0.601 9.759 1.571 181 HG22 ILE 25 HG22 ILE 25 -0.078 10.689 2.908 182 HG23 ILE 25 HG23 ILE 25 1.633 10.844 2.505 183 HD11 ILE 25 HD11 ILE 25 -0.983 9.559 0.106 184 HD12 ILE 25 HD12 ILE 25 -0.450 10.550 -1.255 185 HD13 ILE 25 HD13 ILE 25 -2.166 10.411 -0.884 186 H ASP 26 H ASP 26 1.089 13.416 4.250 187 HA ASP 26 HA ASP 26 3.995 13.317 3.698 188 HB2 ASP 26 HB3 ASP 26 2.499 14.226 6.207 189 HB3 ASP 26 HB2 ASP 26 4.254 14.087 6.082 190 HA PRO 27 HA PRO 27 3.328 8.980 5.095 191 HB2 PRO 27 HB3 PRO 27 6.024 8.247 4.751 192 HB3 PRO 27 HB2 PRO 27 4.753 8.093 3.534 193 HG2 PRO 27 HG3 PRO 27 6.850 10.207 3.826 194 HG3 PRO 27 HG2 PRO 27 6.137 9.528 2.353 195 HD2 PRO 27 HD3 PRO 27 5.461 11.983 3.335 196 HD3 PRO 27 HD2 PRO 27 4.332 10.978 2.412 197 H SER 28 H SER 28 5.505 11.432 6.309 198 HA SER 28 HA SER 28 6.371 10.297 8.743 199 HB2 SER 28 HB3 SER 28 6.608 12.677 9.517 200 HB3 SER 28 HB2 SER 28 7.285 12.424 7.908 201 HG SER 28 HG SER 28 5.507 14.207 8.592 202 H ARG 29 H ARG 29 3.325 11.861 7.859 203 HA ARG 29 HA ARG 29 2.100 11.995 10.418 204 HB2 ARG 29 HB3 ARG 29 1.296 13.305 8.505 205 HB3 ARG 29 HB2 ARG 29 0.900 11.843 7.620 206 HG2 ARG 29 HG3 ARG 29 -1.137 12.862 8.412 207 HG3 ARG 29 HG2 ARG 29 -0.894 11.347 9.281 208 HD2 ARG 29 HD3 ARG 29 -0.137 14.063 10.420 209 HD3 ARG 29 HD2 ARG 29 -1.711 13.311 10.675 210 HE ARG 29 HE ARG 29 -0.182 11.375 11.589 211 HH11 ARG 29 HH11 ARG 29 0.207 14.764 12.195 212 HH12 ARG 29 HH12 ARG 29 0.981 14.491 13.712 213 HH21 ARG 29 HH21 ARG 29 0.852 11.080 13.504 214 HH22 ARG 29 HH22 ARG 29 1.333 12.449 14.447 215 H ILE 30 H ILE 30 2.452 9.363 8.114 216 HA ILE 30 HA ILE 30 0.645 7.621 9.721 217 HB ILE 30 HB ILE 30 0.180 6.326 7.657 218 HG12 ILE 30 HG12 ILE 30 1.813 8.488 6.221 219 HG13 ILE 30 HG11 ILE 30 2.282 6.804 6.405 220 HG21 ILE 30 HG21 ILE 30 -0.419 9.298 7.330 221 HG22 ILE 30 HG22 ILE 30 -1.346 8.159 8.305 222 HG23 ILE 30 HG23 ILE 30 -1.293 7.971 6.554 223 HD11 ILE 30 HD11 ILE 30 0.374 6.138 5.008 224 HD12 ILE 30 HD12 ILE 30 1.480 7.232 4.175 225 HD13 ILE 30 HD13 ILE 30 -0.052 7.840 4.802 226 H THR 31 H THR 31 3.866 8.092 9.458 227 HA THR 31 HA THR 31 5.071 5.717 8.685 228 HB THR 31 HB THR 31 6.861 6.344 10.626 229 HG1 THR 31 HG1 THR 31 6.574 8.202 11.529 230 HG21 THR 31 HG21 THR 31 7.987 7.895 9.082 231 HG22 THR 31 HG22 THR 31 6.502 8.052 8.145 232 HG23 THR 31 HG23 THR 31 7.340 6.504 8.210 233 HA PRO 32 HA PRO 32 4.694 3.802 13.214 234 HB2 PRO 32 HB3 PRO 32 2.493 4.665 14.690 235 HB3 PRO 32 HB2 PRO 32 4.139 5.274 14.905 236 HG2 PRO 32 HG3 PRO 32 1.869 6.473 13.324 237 HG3 PRO 32 HG2 PRO 32 3.028 7.272 14.407 238 HD2 PRO 32 HD3 PRO 32 3.325 7.386 11.744 239 HD3 PRO 32 HD2 PRO 32 4.735 7.252 12.817 240 H TYR 33 H TYR 33 1.682 4.865 11.574 241 HA TYR 33 HA TYR 33 0.190 2.501 12.016 242 HB2 TYR 33 HB2 TYR 33 -0.875 4.676 11.409 243 HB3 TYR 33 HB1 TYR 33 -0.208 4.531 9.782 244 HD1 TYR 33 HD1 TYR 33 -1.315 3.139 8.117 245 HD2 TYR 33 HD2 TYR 33 -2.564 2.941 12.203 246 HE1 TYR 33 HE1 TYR 33 -3.223 1.728 7.468 247 HE2 TYR 33 HE2 TYR 33 -4.480 1.548 11.547 248 HH TYR 33 HH TYR 33 -4.723 0.084 8.490 249 H LEU 34 H LEU 34 2.256 3.522 9.321 250 HA LEU 34 HA LEU 34 1.792 1.350 7.567 251 HB2 LEU 34 HB3 LEU 34 4.224 3.147 7.858 252 HB3 LEU 34 HB2 LEU 34 4.004 2.008 6.541 253 HG LEU 34 HG LEU 34 2.282 4.463 7.076 254 HD11 LEU 34 HD11 LEU 34 4.337 3.951 4.898 255 HD12 LEU 34 HD12 LEU 34 4.513 5.049 6.270 256 HD13 LEU 34 HD13 LEU 34 3.304 5.380 5.033 257 HD21 LEU 34 HD21 LEU 34 0.896 2.720 6.074 258 HD22 LEU 34 HD22 LEU 34 2.089 2.450 4.802 259 HD23 LEU 34 HD23 LEU 34 1.214 3.985 4.883 260 H ARG 35 H ARG 35 4.259 1.866 10.141 261 HA ARG 35 HA ARG 35 5.533 -0.668 9.914 262 HB2 ARG 35 HB3 ARG 35 5.223 1.124 12.349 263 HB3 ARG 35 HB2 ARG 35 6.270 -0.296 12.292 264 HG2 ARG 35 HG3 ARG 35 7.514 0.775 10.391 265 HG3 ARG 35 HG2 ARG 35 6.529 2.222 10.623 266 HD2 ARG 35 HD3 ARG 35 8.680 2.500 11.723 267 HD3 ARG 35 HD2 ARG 35 7.402 2.420 12.939 268 HE ARG 35 HE ARG 35 8.393 -0.163 12.626 269 HH11 ARG 35 HH11 ARG 35 9.601 2.880 13.782 270 HH12 ARG 35 HH12 ARG 35 10.768 2.118 14.808 271 HH21 ARG 35 HH21 ARG 35 9.900 -1.080 13.940 272 HH22 ARG 35 HH22 ARG 35 10.939 -0.071 14.891 273 H GLN 36 H GLN 36 2.698 0.320 11.865 274 HA GLN 36 HA GLN 36 2.184 -2.053 13.275 275 HB2 GLN 36 HB3 GLN 36 0.242 0.041 12.213 276 HB3 GLN 36 HB2 GLN 36 -0.243 -1.247 13.310 277 HG2 GLN 36 HG3 GLN 36 1.107 -0.355 15.088 278 HG3 GLN 36 HG2 GLN 36 1.899 0.782 13.999 279 HE21 GLN 36 HE21 GLN 36 1.307 2.588 15.201 280 HE22 GLN 36 HE22 GLN 36 -0.319 3.163 15.294 281 H CYS 37 H CYS 37 1.270 -1.125 9.974 282 HA CYS 37 HA CYS 37 -0.234 -3.571 9.477 283 HB2 CYS 37 HB3 CYS 37 -0.924 -1.364 8.508 284 HB3 CYS 37 HB2 CYS 37 0.527 -1.384 7.510 285 HG CYS 37 HG CYS 37 -0.220 -3.673 6.083 286 H LYS 38 H LYS 38 3.005 -3.073 9.681 287 HA LYS 38 HA LYS 38 4.788 -4.408 9.278 288 HB2 LYS 38 HB3 LYS 38 2.850 -6.277 7.849 289 HB3 LYS 38 HB2 LYS 38 4.497 -6.685 8.304 290 HG2 LYS 38 HG3 LYS 38 2.344 -5.988 10.337 291 HG3 LYS 38 HG2 LYS 38 2.631 -7.624 9.760 292 HD2 LYS 38 HD3 LYS 38 3.826 -7.583 11.774 293 HD3 LYS 38 HD2 LYS 38 5.087 -7.269 10.586 294 HE2 LYS 38 HE3 LYS 38 5.309 -5.809 12.556 295 HE3 LYS 38 HE2 LYS 38 4.976 -4.863 11.107 296 HZ1 LYS 38 HZ1 LYS 38 2.993 -5.625 13.180 297 HZ2 LYS 38 HZ2 LYS 38 2.646 -4.747 11.779 298 HZ3 LYS 38 HZ3 LYS 38 3.668 -4.091 12.956 299 H VAL 39 H VAL 39 3.843 -2.344 7.227 300 HA VAL 39 HA VAL 39 4.987 -3.463 4.729 301 HB VAL 39 HB VAL 39 3.767 -1.867 3.473 302 HG11 VAL 39 HG11 VAL 39 1.436 -2.254 4.149 303 HG12 VAL 39 HG12 VAL 39 1.961 -2.718 5.769 304 HG13 VAL 39 HG13 VAL 39 2.407 -3.708 4.380 305 HG21 VAL 39 HG21 VAL 39 3.117 -0.351 6.036 306 HG22 VAL 39 HG22 VAL 39 2.475 0.031 4.437 307 HG23 VAL 39 HG23 VAL 39 4.203 0.182 4.754 308 H LEU 40 H LEU 40 5.661 -1.118 7.188 309 HA LEU 40 HA LEU 40 7.709 0.264 5.538 310 HB2 LEU 40 HB3 LEU 40 5.822 1.602 6.582 311 HB3 LEU 40 HB2 LEU 40 6.464 1.167 8.155 312 HG LEU 40 HG LEU 40 8.654 2.312 7.417 313 HD11 LEU 40 HD11 LEU 40 8.493 4.000 5.649 314 HD12 LEU 40 HD12 LEU 40 6.858 3.457 5.257 315 HD13 LEU 40 HD13 LEU 40 8.233 2.378 5.011 316 HD21 LEU 40 HD21 LEU 40 7.844 4.553 8.013 317 HD22 LEU 40 HD22 LEU 40 7.135 3.320 9.050 318 HD23 LEU 40 HD23 LEU 40 6.176 4.032 7.752 319 H ASN 41 H ASN 41 9.827 0.108 6.098 320 HA ASN 41 HA ASN 41 10.663 -1.447 8.441 321 HB2 ASN 41 HB3 ASN 41 12.264 -0.211 6.155 322 HB3 ASN 41 HB2 ASN 41 12.929 -1.283 7.387 323 HD21 ASN 41 HD21 ASN 41 12.485 -1.455 4.362 324 HD22 ASN 41 HD22 ASN 41 11.778 -3.016 4.149 325 HA PRO 42 HA PRO 42 11.957 2.084 11.038 326 HB2 PRO 42 HB3 PRO 42 14.508 1.285 11.862 327 HB3 PRO 42 HB2 PRO 42 13.002 0.721 12.596 328 HG2 PRO 42 HG3 PRO 42 14.686 -0.602 10.465 329 HG3 PRO 42 HG2 PRO 42 13.959 -1.322 11.920 330 HD2 PRO 42 HD3 PRO 42 12.788 -1.658 9.545 331 HD3 PRO 42 HD2 PRO 42 11.791 -1.331 10.983 332 H ASP 43 H ASP 43 14.233 0.904 8.589 333 HA ASP 43 HA ASP 43 15.877 3.172 8.240 334 HB2 ASP 43 HB3 ASP 43 15.027 1.146 6.119 335 HB3 ASP 43 HB2 ASP 43 16.466 2.167 6.069 336 H ASP 44 H ASP 44 12.952 2.148 6.463 337 HA ASP 44 HA ASP 44 12.780 4.463 4.791 338 HB2 ASP 44 HB3 ASP 44 10.603 2.436 5.413 339 HB3 ASP 44 HB2 ASP 44 10.676 3.506 4.011 340 H GLU 45 H GLU 45 11.452 3.627 7.922 341 HA GLU 45 HA GLU 45 9.617 5.749 8.256 342 HB2 GLU 45 HB3 GLU 45 9.750 3.831 9.826 343 HB3 GLU 45 HB2 GLU 45 11.362 4.340 10.329 344 HG2 GLU 45 HG3 GLU 45 10.308 6.510 11.129 345 HG3 GLU 45 HG2 GLU 45 8.737 5.776 10.821 346 H GLU 46 H GLU 46 13.075 5.464 9.211 347 HA GLU 46 HA GLU 46 13.413 8.138 10.064 348 HB2 GLU 46 HB3 GLU 46 15.000 6.307 10.685 349 HB3 GLU 46 HB2 GLU 46 15.597 6.277 9.028 350 HG2 GLU 46 HG3 GLU 46 16.356 8.625 9.266 351 HG3 GLU 46 HG2 GLU 46 15.759 8.652 10.922 352 H GLN 47 H GLN 47 13.701 6.665 6.867 353 HA GLN 47 HA GLN 47 15.077 8.536 5.371 354 HB2 GLN 47 HB3 GLN 47 14.249 6.364 4.494 355 HB3 GLN 47 HB2 GLN 47 12.598 6.960 4.542 356 HG2 GLN 47 HG3 GLN 47 13.344 7.024 2.267 357 HG3 GLN 47 HG2 GLN 47 13.218 8.688 2.838 358 HE21 GLN 47 HE21 GLN 47 15.391 6.147 1.887 359 HE22 GLN 47 HE22 GLN 47 16.791 7.139 1.704 360 H VAL 48 H VAL 48 11.684 8.583 6.313 361 HA VAL 48 HA VAL 48 11.090 11.122 4.997 362 HB VAL 48 HB VAL 48 9.329 9.320 6.721 363 HG11 VAL 48 HG11 VAL 48 8.553 11.601 4.864 364 HG12 VAL 48 HG12 VAL 48 8.478 11.621 6.628 365 HG13 VAL 48 HG13 VAL 48 7.428 10.538 5.715 366 HG21 VAL 48 HG21 VAL 48 8.399 8.470 4.590 367 HG22 VAL 48 HG22 VAL 48 10.129 8.136 4.700 368 HG23 VAL 48 HG23 VAL 48 9.548 9.455 3.680 369 H LEU 49 H LEU 49 11.312 9.815 8.326 370 HA LEU 49 HA LEU 49 10.601 12.274 9.652 371 HB2 LEU 49 HB3 LEU 49 11.831 9.711 10.728 372 HB3 LEU 49 HB2 LEU 49 11.349 11.062 11.747 373 HG LEU 49 HG LEU 49 9.487 9.340 10.054 374 HD11 LEU 49 HD11 LEU 49 8.584 8.551 12.184 375 HD12 LEU 49 HD12 LEU 49 9.750 9.538 13.069 376 HD13 LEU 49 HD13 LEU 49 10.308 8.201 12.063 377 HD21 LEU 49 HD21 LEU 49 8.771 11.677 11.867 378 HD22 LEU 49 HD22 LEU 49 7.629 10.597 11.060 379 HD23 LEU 49 HD23 LEU 49 8.663 11.652 10.104 380 H SER 50 H SER 50 13.507 11.334 8.170 381 HA SER 50 HA SER 50 15.480 12.353 9.948 382 HB2 SER 50 HB3 SER 50 16.036 10.828 8.054 383 HB3 SER 50 HB2 SER 50 15.646 12.108 6.909 384 HG SER 50 HG SER 50 17.843 12.119 7.205 385 H ASP 51 H ASP 51 13.531 13.836 7.427 386 HA ASP 51 HA ASP 51 14.669 16.501 7.873 387 HB2 ASP 51 HB3 ASP 51 12.212 15.994 6.158 388 HB3 ASP 51 HB2 ASP 51 13.449 17.216 5.989 389 HA PRO 52 HA PRO 52 11.746 16.618 11.447 390 HB2 PRO 52 HB3 PRO 52 12.385 19.296 12.111 391 HB3 PRO 52 HB2 PRO 52 13.179 17.853 12.746 392 HG2 PRO 52 HG3 PRO 52 14.019 19.631 10.461 393 HG3 PRO 52 HG2 PRO 52 15.018 18.886 11.731 394 HD2 PRO 52 HD3 PRO 52 14.966 17.842 9.276 395 HD3 PRO 52 HD2 PRO 52 14.970 16.772 10.696 396 H ASN 53 H ASN 53 11.951 19.297 9.057 397 HA ASN 53 HA ASN 53 9.263 18.919 8.190 398 HB2 ASN 53 HB3 ASN 53 8.857 20.221 10.335 399 HB3 ASN 53 HB2 ASN 53 9.758 21.566 9.646 400 HD21 ASN 53 HD21 ASN 53 6.842 19.624 9.343 401 HD22 ASN 53 HD22 ASN 53 5.945 20.775 8.430 402 H LEU 54 H LEU 54 10.758 18.641 6.344 403 HA LEU 54 HA LEU 54 11.514 21.202 5.031 404 HB2 LEU 54 HB3 LEU 54 12.971 18.530 4.922 405 HB3 LEU 54 HB2 LEU 54 13.265 19.804 3.759 406 HG LEU 54 HG LEU 54 15.049 19.959 5.299 407 HD11 LEU 54 HD11 LEU 54 14.818 22.130 6.351 408 HD12 LEU 54 HD12 LEU 54 13.064 22.053 6.175 409 HD13 LEU 54 HD13 LEU 54 14.095 22.127 4.744 410 HD21 LEU 54 HD21 LEU 54 14.826 20.091 7.745 411 HD22 LEU 54 HD22 LEU 54 14.220 18.570 7.100 412 HD23 LEU 54 HD23 LEU 54 13.085 19.824 7.598 413 H VAL 55 H VAL 55 11.438 21.276 2.714 414 HA VAL 55 HA VAL 55 9.266 19.946 1.400 415 HB VAL 55 HB VAL 55 11.528 21.611 0.185 416 HG11 VAL 55 HG11 VAL 55 9.978 22.034 -1.710 417 HG12 VAL 55 HG12 VAL 55 8.807 20.920 -1.003 418 HG13 VAL 55 HG13 VAL 55 10.370 20.320 -1.558 419 HG21 VAL 55 HG21 VAL 55 10.324 22.886 1.909 420 HG22 VAL 55 HG22 VAL 55 8.780 22.517 1.137 421 HG23 VAL 55 HG23 VAL 55 9.962 23.529 0.305 422 H ILE 56 H ILE 56 12.583 19.158 1.904 423 HA ILE 56 HA ILE 56 13.108 17.298 -0.150 424 HB ILE 56 HB ILE 56 14.147 17.466 2.717 425 HG12 ILE 56 HG12 ILE 56 16.327 18.098 1.552 426 HG13 ILE 56 HG11 ILE 56 15.461 18.112 0.023 427 HG21 ILE 56 HG21 ILE 56 14.256 15.104 2.122 428 HG22 ILE 56 HG22 ILE 56 15.882 15.783 2.138 429 HG23 ILE 56 HG23 ILE 56 15.067 15.486 0.601 430 HD11 ILE 56 HD11 ILE 56 14.094 19.984 0.840 431 HD12 ILE 56 HD12 ILE 56 15.818 20.350 0.869 432 HD13 ILE 56 HD13 ILE 56 14.980 19.953 2.368 433 H ARG 57 H ARG 57 11.381 16.948 2.956 434 HA ARG 57 HA ARG 57 10.818 14.200 2.922 435 HB2 ARG 57 HB3 ARG 57 10.336 15.636 4.880 436 HB3 ARG 57 HB2 ARG 57 9.069 16.461 3.976 437 HG2 ARG 57 HG3 ARG 57 7.891 14.212 3.776 438 HG3 ARG 57 HG2 ARG 57 9.085 13.572 4.908 439 HD2 ARG 57 HD3 ARG 57 7.167 15.857 5.472 440 HD3 ARG 57 HD2 ARG 57 6.945 14.186 5.996 441 HE ARG 57 HE ARG 57 9.376 14.876 7.024 442 HH11 ARG 57 HH11 ARG 57 6.239 16.355 7.249 443 HH12 ARG 57 HH12 ARG 57 6.504 16.882 8.874 444 HH21 ARG 57 HH21 ARG 57 9.659 15.570 9.099 445 HH22 ARG 57 HH22 ARG 57 8.405 16.460 9.894 446 H LYS 58 H LYS 58 9.259 16.870 1.211 447 HA LYS 58 HA LYS 58 6.956 15.459 0.291 448 HB2 LYS 58 HB3 LYS 58 8.186 17.906 -1.037 449 HB3 LYS 58 HB2 LYS 58 6.506 17.374 -1.114 450 HG2 LYS 58 HG3 LYS 58 7.965 18.537 1.286 451 HG3 LYS 58 HG2 LYS 58 6.662 19.289 0.365 452 HD2 LYS 58 HD3 LYS 58 6.392 16.786 2.093 453 HD3 LYS 58 HD2 LYS 58 5.903 18.411 2.571 454 HE2 LYS 58 HE3 LYS 58 4.260 18.447 0.716 455 HE3 LYS 58 HE2 LYS 58 4.735 16.808 0.274 456 HZ1 LYS 58 HZ1 LYS 58 2.714 16.888 1.620 457 HZ2 LYS 58 HZ2 LYS 58 3.579 17.582 2.896 458 HZ3 LYS 58 HZ3 LYS 58 3.943 16.014 2.384 459 H ARG 59 H ARG 59 10.243 15.720 -0.920 460 HA ARG 59 HA ARG 59 9.801 14.217 -3.347 461 HB2 ARG 59 HB3 ARG 59 11.798 15.668 -3.095 462 HB3 ARG 59 HB2 ARG 59 12.361 14.679 -1.750 463 HG2 ARG 59 HG3 ARG 59 12.540 12.732 -3.319 464 HG3 ARG 59 HG2 ARG 59 12.089 13.801 -4.646 465 HD2 ARG 59 HD3 ARG 59 14.116 15.151 -4.247 466 HD3 ARG 59 HD2 ARG 59 14.554 14.100 -2.890 467 HE ARG 59 HE ARG 59 14.376 13.194 -5.712 468 HH11 ARG 59 HH11 ARG 59 16.003 13.056 -2.644 469 HH12 ARG 59 HH12 ARG 59 17.102 11.838 -3.186 470 HH21 ARG 59 HH21 ARG 59 15.802 11.646 -6.350 471 HH22 ARG 59 HH22 ARG 59 16.987 11.057 -5.241 472 H LYS 60 H LYS 60 10.874 13.454 -0.012 473 HA LYS 60 HA LYS 60 11.492 10.735 -0.256 474 HB2 LYS 60 HB3 LYS 60 10.274 12.111 2.173 475 HB3 LYS 60 HB2 LYS 60 11.066 10.538 2.192 476 HG2 LYS 60 HG3 LYS 60 12.388 13.183 1.536 477 HG3 LYS 60 HG2 LYS 60 12.509 12.321 3.070 478 HD2 LYS 60 HD3 LYS 60 13.631 10.433 1.900 479 HD3 LYS 60 HD2 LYS 60 13.533 11.326 0.377 480 HE2 LYS 60 HE3 LYS 60 15.772 11.488 1.460 481 HE3 LYS 60 HE2 LYS 60 15.003 13.063 1.259 482 HZ1 LYS 60 HZ1 LYS 60 14.385 13.055 3.567 483 HZ2 LYS 60 HZ2 LYS 60 16.045 12.760 3.445 484 HZ3 LYS 60 HZ3 LYS 60 14.986 11.488 3.775 485 H VAL 61 H VAL 61 8.306 12.252 0.055 486 HA VAL 61 HA VAL 61 6.638 10.058 0.487 487 HB VAL 61 HB VAL 61 5.970 12.167 -1.619 488 HG11 VAL 61 HG11 VAL 61 4.360 10.314 -1.463 489 HG12 VAL 61 HG12 VAL 61 3.625 11.815 -0.900 490 HG13 VAL 61 HG13 VAL 61 4.160 10.603 0.268 491 HG21 VAL 61 HG21 VAL 61 6.778 13.396 0.326 492 HG22 VAL 61 HG22 VAL 61 5.697 12.503 1.388 493 HG23 VAL 61 HG23 VAL 61 5.032 13.599 0.178 494 H GLY 62 H GLY 62 7.693 11.298 -2.708 495 HA2 GLY 62 HA3 GLY 62 6.687 9.163 -4.281 496 HA3 GLY 62 HA2 GLY 62 7.868 10.357 -4.791 497 H VAL 63 H VAL 63 9.934 9.788 -2.935 498 HA VAL 63 HA VAL 63 11.335 7.614 -4.080 499 HB VAL 63 HB VAL 63 11.811 8.942 -1.366 500 HG11 VAL 63 HG11 VAL 63 14.145 8.107 -1.535 501 HG12 VAL 63 HG12 VAL 63 13.725 7.227 -3.005 502 HG13 VAL 63 HG13 VAL 63 12.983 6.780 -1.469 503 HG21 VAL 63 HG21 VAL 63 13.045 9.574 -4.083 504 HG22 VAL 63 HG22 VAL 63 13.500 10.328 -2.553 505 HG23 VAL 63 HG23 VAL 63 11.882 10.572 -3.208 506 H LEU 64 H LEU 64 9.289 7.802 -1.183 507 HA LEU 64 HA LEU 64 9.883 5.182 -0.208 508 HB2 LEU 64 HB3 LEU 64 8.457 7.428 0.790 509 HB3 LEU 64 HB2 LEU 64 7.268 6.153 0.714 510 HG LEU 64 HG LEU 64 8.288 6.244 2.939 511 HD11 LEU 64 HD11 LEU 64 9.163 3.749 1.457 512 HD12 LEU 64 HD12 LEU 64 7.566 4.048 2.148 513 HD13 LEU 64 HD13 LEU 64 8.968 3.911 3.205 514 HD21 LEU 64 HD21 LEU 64 10.946 5.701 1.575 515 HD22 LEU 64 HD22 LEU 64 10.663 5.803 3.316 516 HD23 LEU 64 HD23 LEU 64 10.447 7.230 2.307 517 H LEU 65 H LEU 65 7.438 6.400 -2.480 518 HA LEU 65 HA LEU 65 5.702 4.177 -2.533 519 HB2 LEU 65 HB3 LEU 65 6.424 6.005 -4.856 520 HB3 LEU 65 HB2 LEU 65 5.009 4.963 -4.779 521 HG LEU 65 HG LEU 65 5.541 7.404 -3.032 522 HD11 LEU 65 HD11 LEU 65 3.611 8.416 -4.169 523 HD12 LEU 65 HD12 LEU 65 3.475 6.997 -5.213 524 HD13 LEU 65 HD13 LEU 65 4.907 8.025 -5.300 525 HD21 LEU 65 HD21 LEU 65 4.351 5.732 -1.712 526 HD22 LEU 65 HD22 LEU 65 3.139 5.550 -2.983 527 HD23 LEU 65 HD23 LEU 65 3.281 7.077 -2.109 528 H ASP 66 H ASP 66 8.666 4.817 -4.392 529 HA ASP 66 HA ASP 66 8.938 2.571 -5.997 530 HB2 ASP 66 HB3 ASP 66 10.487 4.439 -6.135 531 HB3 ASP 66 HB2 ASP 66 11.024 4.198 -4.480 532 H ILE 67 H ILE 67 9.946 2.933 -2.609 533 HA ILE 67 HA ILE 67 10.973 0.298 -2.231 534 HB ILE 67 HB ILE 67 10.017 2.324 -0.152 535 HG12 ILE 67 HG12 ILE 67 12.857 1.926 -1.227 536 HG13 ILE 67 HG11 ILE 67 11.770 3.191 -1.786 537 HG21 ILE 67 HG21 ILE 67 11.566 1.168 1.411 538 HG22 ILE 67 HG22 ILE 67 11.903 -0.044 0.175 539 HG23 ILE 67 HG23 ILE 67 10.279 0.099 0.850 540 HD11 ILE 67 HD11 ILE 67 11.756 4.173 0.452 541 HD12 ILE 67 HD12 ILE 67 13.391 4.042 -0.196 542 HD13 ILE 67 HD13 ILE 67 12.836 2.896 1.022 543 H LEU 68 H LEU 68 7.850 1.813 -1.467 544 HA LEU 68 HA LEU 68 6.633 -0.363 -0.112 545 HB2 LEU 68 HB3 LEU 68 5.438 2.086 -1.446 546 HB3 LEU 68 HB2 LEU 68 4.475 0.928 -0.540 547 HG LEU 68 HG LEU 68 6.723 2.626 0.624 548 HD11 LEU 68 HD11 LEU 68 3.721 2.948 0.929 549 HD12 LEU 68 HD12 LEU 68 4.801 4.005 0.017 550 HD13 LEU 68 HD13 LEU 68 4.956 3.894 1.768 551 HD21 LEU 68 HD21 LEU 68 4.784 0.765 2.051 552 HD22 LEU 68 HD22 LEU 68 5.974 1.816 2.824 553 HD23 LEU 68 HD23 LEU 68 6.511 0.482 1.811 554 H GLN 69 H GLN 69 7.029 0.352 -3.503 555 HA GLN 69 HA GLN 69 5.003 -1.234 -4.635 556 HB2 GLN 69 HB3 GLN 69 6.487 0.354 -5.883 557 HB3 GLN 69 HB2 GLN 69 7.812 -0.794 -5.726 558 HG2 GLN 69 HG3 GLN 69 6.565 -2.439 -7.074 559 HG3 GLN 69 HG2 GLN 69 5.207 -1.319 -7.195 560 HE21 GLN 69 HE21 GLN 69 8.425 -2.043 -8.308 561 HE22 GLN 69 HE22 GLN 69 8.450 -0.898 -9.599 562 H ARG 70 H ARG 70 8.179 -2.236 -3.341 563 HA ARG 70 HA ARG 70 8.154 -4.916 -4.367 564 HB2 ARG 70 HB3 ARG 70 9.709 -3.716 -2.039 565 HB3 ARG 70 HB2 ARG 70 9.910 -5.380 -2.567 566 HG2 ARG 70 HG3 ARG 70 11.703 -4.170 -3.536 567 HG3 ARG 70 HG2 ARG 70 10.568 -4.485 -4.848 568 HD2 ARG 70 HD3 ARG 70 9.683 -2.178 -4.594 569 HD3 ARG 70 HD2 ARG 70 10.872 -1.881 -3.322 570 HE ARG 70 HE ARG 70 11.697 -2.588 -6.070 571 HH11 ARG 70 HH11 ARG 70 12.008 -0.519 -3.324 572 HH12 ARG 70 HH12 ARG 70 13.025 0.603 -4.156 573 HH21 ARG 70 HH21 ARG 70 13.034 -1.164 -7.088 574 HH22 ARG 70 HH22 ARG 70 13.612 0.229 -6.246 575 H THR 71 H THR 71 7.007 -3.489 -1.343 576 HA THR 71 HA THR 71 5.770 -6.026 -0.475 577 HB THR 71 HB THR 71 6.907 -4.704 1.270 578 HG1 THR 71 HG1 THR 71 5.406 -5.509 2.491 579 HG21 THR 71 HG21 THR 71 6.617 -2.420 0.387 580 HG22 THR 71 HG22 THR 71 6.041 -2.530 2.051 581 HG23 THR 71 HG23 THR 71 4.885 -2.497 0.716 582 H GLY 72 H GLY 72 4.923 -4.426 -2.907 583 HA2 GLY 72 HA3 GLY 72 3.047 -2.545 -2.810 584 HA3 GLY 72 HA2 GLY 72 3.024 -3.805 -4.021 585 H HIS 73 H HIS 73 2.059 -5.967 -2.814 586 HA HIS 73 HA HIS 73 -0.687 -5.666 -2.598 587 HB2 HIS 73 HB2 HIS 73 -0.682 -7.995 -1.635 588 HB3 HIS 73 HB1 HIS 73 0.242 -7.807 -3.116 589 HD1 HIS 73 HD1 HIS 73 0.493 -9.182 0.209 590 HD2 HIS 73 HD2 HIS 73 3.158 -7.616 -2.562 591 HE1 HIS 73 HE1 HIS 73 2.754 -10.006 0.901 592 HE2 HIS 73 HE2 HIS 73 4.337 -9.147 -0.857 593 H LYS 74 H LYS 74 1.603 -5.938 0.130 594 HA LYS 74 HA LYS 74 -0.360 -5.584 2.200 595 HB2 LYS 74 HB3 LYS 74 2.679 -5.372 2.166 596 HB3 LYS 74 HB2 LYS 74 1.731 -5.163 3.632 597 HG2 LYS 74 HG3 LYS 74 1.817 -7.688 1.948 598 HG3 LYS 74 HG2 LYS 74 2.723 -7.422 3.443 599 HD2 LYS 74 HD3 LYS 74 -0.313 -7.480 3.172 600 HD3 LYS 74 HD2 LYS 74 0.691 -8.765 3.849 601 HE2 LYS 74 HE3 LYS 74 1.368 -7.285 5.697 602 HE3 LYS 74 HE2 LYS 74 0.432 -5.959 5.000 603 HZ1 LYS 74 HZ1 LYS 74 -0.829 -6.966 6.722 604 HZ2 LYS 74 HZ2 LYS 74 -0.619 -8.508 6.073 605 HZ3 LYS 74 HZ3 LYS 74 -1.558 -7.368 5.251 606 H GLY 75 H GLY 75 2.114 -3.495 0.736 607 HA2 GLY 75 HA3 GLY 75 1.810 -1.183 2.257 608 HA3 GLY 75 HA2 GLY 75 2.506 -1.262 0.650 609 H TYR 76 H TYR 76 0.011 -2.223 -0.591 610 HA TYR 76 HA TYR 76 -1.124 0.330 -1.207 611 HB2 TYR 76 HB2 TYR 76 -0.907 -1.423 -2.953 612 HB3 TYR 76 HB1 TYR 76 -2.076 -2.430 -2.101 613 HD1 TYR 76 HD1 TYR 76 -4.366 -2.266 -2.748 614 HD2 TYR 76 HD2 TYR 76 -1.746 1.013 -3.571 615 HE1 TYR 76 HE1 TYR 76 -6.191 -1.091 -3.896 616 HE2 TYR 76 HE2 TYR 76 -3.571 2.174 -4.719 617 HH TYR 76 HH TYR 76 -6.810 1.211 -4.495 618 H VAL 77 H VAL 77 -2.437 -2.624 0.351 619 HA VAL 77 HA VAL 77 -4.964 -1.610 1.089 620 HB VAL 77 HB VAL 77 -3.306 -3.710 2.571 621 HG11 VAL 77 HG11 VAL 77 -6.310 -3.194 2.680 622 HG12 VAL 77 HG12 VAL 77 -5.158 -2.887 3.979 623 HG13 VAL 77 HG13 VAL 77 -5.475 -4.542 3.457 624 HG21 VAL 77 HG21 VAL 77 -3.632 -4.309 0.201 625 HG22 VAL 77 HG22 VAL 77 -5.374 -4.073 0.362 626 HG23 VAL 77 HG23 VAL 77 -4.575 -5.378 1.243 627 H ALA 78 H ALA 78 -1.889 -1.669 2.899 628 HA ALA 78 HA ALA 78 -2.614 -0.303 5.235 629 HB1 ALA 78 HB1 ALA 78 -0.229 0.213 5.486 630 HB2 ALA 78 HB2 ALA 78 0.052 -0.193 3.789 631 HB3 ALA 78 HB3 ALA 78 -0.449 -1.445 4.924 632 H PHE 79 H PHE 79 -1.558 0.989 2.087 633 HA PHE 79 HA PHE 79 -1.417 3.727 2.877 634 HB2 PHE 79 HB2 PHE 79 -0.381 2.472 0.763 635 HB3 PHE 79 HB1 PHE 79 -1.891 2.930 -0.010 636 HD1 PHE 79 HD1 PHE 79 -1.413 4.710 -1.512 637 HD2 PHE 79 HD2 PHE 79 0.378 4.730 2.376 638 HE1 PHE 79 HE1 PHE 79 -0.407 6.914 -1.975 639 HE2 PHE 79 HE2 PHE 79 1.368 6.919 1.914 640 HZ PHE 79 HZ PHE 79 0.983 8.024 -0.262 641 H LEU 80 H LEU 80 -3.973 1.722 1.428 642 HA LEU 80 HA LEU 80 -5.904 3.727 0.953 643 HB2 LEU 80 HB3 LEU 80 -6.322 0.790 1.627 644 HB3 LEU 80 HB2 LEU 80 -7.610 1.871 1.115 645 HG LEU 80 HG LEU 80 -5.247 0.944 -0.557 646 HD11 LEU 80 HD11 LEU 80 -6.974 -0.753 -0.291 647 HD12 LEU 80 HD12 LEU 80 -6.967 -0.148 -1.943 648 HD13 LEU 80 HD13 LEU 80 -8.218 0.385 -0.817 649 HD21 LEU 80 HD21 LEU 80 -5.714 3.271 -1.137 650 HD22 LEU 80 HD22 LEU 80 -7.428 2.909 -1.343 651 HD23 LEU 80 HD23 LEU 80 -6.237 2.204 -2.439 652 H GLU 81 H GLU 81 -5.512 1.545 3.766 653 HA GLU 81 HA GLU 81 -7.624 2.589 5.323 654 HB2 GLU 81 HB3 GLU 81 -5.111 1.183 6.315 655 HB3 GLU 81 HB2 GLU 81 -6.611 1.381 7.215 656 HG2 GLU 81 HG3 GLU 81 -6.166 -0.307 4.741 657 HG3 GLU 81 HG2 GLU 81 -6.468 -0.877 6.376 658 H SER 82 H SER 82 -4.131 3.385 5.302 659 HA SER 82 HA SER 82 -4.132 5.178 7.499 660 HB2 SER 82 HB3 SER 82 -1.936 5.955 6.654 661 HB3 SER 82 HB2 SER 82 -2.042 4.198 6.615 662 HG SER 82 HG SER 82 -1.732 4.277 4.558 663 H LEU 83 H LEU 83 -4.327 5.837 3.956 664 HA LEU 83 HA LEU 83 -4.702 8.646 4.254 665 HB2 LEU 83 HB3 LEU 83 -5.481 6.863 1.926 666 HB3 LEU 83 HB2 LEU 83 -5.500 8.622 1.894 667 HG LEU 83 HG LEU 83 -3.069 6.812 2.108 668 HD11 LEU 83 HD11 LEU 83 -3.907 8.807 -0.008 669 HD12 LEU 83 HD12 LEU 83 -3.920 7.046 -0.149 670 HD13 LEU 83 HD13 LEU 83 -2.388 7.905 0.008 671 HD21 LEU 83 HD21 LEU 83 -2.697 8.689 3.627 672 HD22 LEU 83 HD22 LEU 83 -3.122 9.841 2.358 673 HD23 LEU 83 HD23 LEU 83 -1.675 8.843 2.201 674 H GLU 84 H GLU 84 -7.013 5.957 4.296 675 HA GLU 84 HA GLU 84 -9.372 7.529 4.037 676 HB2 GLU 84 HB3 GLU 84 -9.292 5.051 3.748 677 HB3 GLU 84 HB2 GLU 84 -9.050 4.869 5.484 678 HG2 GLU 84 HG3 GLU 84 -11.257 5.882 5.900 679 HG3 GLU 84 HG2 GLU 84 -11.492 6.105 4.168 680 H LEU 85 H LEU 85 -7.502 6.486 6.883 681 HA LEU 85 HA LEU 85 -9.258 7.589 8.859 682 HB2 LEU 85 HB3 LEU 85 -6.345 6.747 9.071 683 HB3 LEU 85 HB2 LEU 85 -7.378 7.129 10.441 684 HG LEU 85 HG LEU 85 -7.803 4.805 8.518 685 HD11 LEU 85 HD11 LEU 85 -6.782 4.760 11.373 686 HD12 LEU 85 HD12 LEU 85 -5.833 4.446 9.919 687 HD13 LEU 85 HD13 LEU 85 -7.133 3.346 10.374 688 HD21 LEU 85 HD21 LEU 85 -9.548 4.053 10.089 689 HD22 LEU 85 HD22 LEU 85 -9.939 5.620 9.391 690 HD23 LEU 85 HD23 LEU 85 -9.330 5.519 11.047 691 H TYR 86 H TYR 86 -6.161 8.713 7.452 692 HA TYR 86 HA TYR 86 -6.132 11.087 9.161 693 HB2 TYR 86 HB2 TYR 86 -4.087 9.943 7.224 694 HB3 TYR 86 HB1 TYR 86 -3.852 11.464 8.081 695 HD1 TYR 86 HD1 TYR 86 -3.329 11.486 10.480 696 HD2 TYR 86 HD2 TYR 86 -4.062 7.773 8.500 697 HE1 TYR 86 HE1 TYR 86 -2.390 10.271 12.399 698 HE2 TYR 86 HE2 TYR 86 -3.123 6.559 10.416 699 HH TYR 86 HH TYR 86 -2.564 7.986 13.413 700 H TYR 87 H TYR 87 -6.353 10.425 5.624 701 HA TYR 87 HA TYR 87 -7.167 13.266 5.205 702 HB2 TYR 87 HB2 TYR 87 -5.492 11.583 3.281 703 HB3 TYR 87 HB1 TYR 87 -6.001 13.243 3.023 704 HD1 TYR 87 HD1 TYR 87 -3.286 11.226 4.037 705 HD2 TYR 87 HD2 TYR 87 -5.167 14.959 4.935 706 HE1 TYR 87 HE1 TYR 87 -1.178 12.055 5.009 707 HE2 TYR 87 HE2 TYR 87 -3.061 15.783 5.902 708 HH TYR 87 HH TYR 87 -0.105 14.381 5.410 709 HA PRO 88 HA PRO 88 -10.356 9.990 3.835 710 HB2 PRO 88 HB3 PRO 88 -12.642 11.346 4.605 711 HB3 PRO 88 HB2 PRO 88 -11.703 10.293 5.678 712 HG2 PRO 88 HG3 PRO 88 -11.601 13.302 5.409 713 HG3 PRO 88 HG2 PRO 88 -11.640 12.314 6.887 714 HD2 PRO 88 HD3 PRO 88 -9.330 13.364 5.968 715 HD3 PRO 88 HD2 PRO 88 -9.363 11.754 6.720 716 H GLN 89 H GLN 89 -10.888 13.523 3.335 717 HA GLN 89 HA GLN 89 -12.561 13.326 1.050 718 HB2 GLN 89 HB3 GLN 89 -10.684 15.642 1.716 719 HB3 GLN 89 HB2 GLN 89 -12.138 15.713 0.720 720 HG2 GLN 89 HG3 GLN 89 -13.523 15.246 2.712 721 HG3 GLN 89 HG2 GLN 89 -12.068 15.150 3.707 722 HE21 GLN 89 HE21 GLN 89 -12.683 16.867 5.044 723 HE22 GLN 89 HE22 GLN 89 -12.725 18.504 4.499 724 H LEU 90 H LEU 90 -9.085 13.979 1.370 725 HA LEU 90 HA LEU 90 -8.242 13.977 -1.278 726 HB2 LEU 90 HB3 LEU 90 -6.791 14.595 0.622 727 HB3 LEU 90 HB2 LEU 90 -6.802 12.931 1.183 728 HG LEU 90 HG LEU 90 -5.699 12.329 -1.090 729 HD11 LEU 90 HD11 LEU 90 -5.156 15.304 -1.151 730 HD12 LEU 90 HD12 LEU 90 -6.155 14.393 -2.287 731 HD13 LEU 90 HD13 LEU 90 -4.423 14.089 -2.202 732 HD21 LEU 90 HD21 LEU 90 -4.482 12.199 1.001 733 HD22 LEU 90 HD22 LEU 90 -4.132 13.927 0.947 734 HD23 LEU 90 HD23 LEU 90 -3.443 12.846 -0.266 735 H TYR 91 H TYR 91 -8.690 11.243 0.939 736 HA TYR 91 HA TYR 91 -7.622 9.150 -0.588 737 HB2 TYR 91 HB2 TYR 91 -8.097 8.847 1.775 738 HB3 TYR 91 HB1 TYR 91 -9.810 9.155 1.523 739 HD1 TYR 91 HD1 TYR 91 -11.245 7.274 1.424 740 HD2 TYR 91 HD2 TYR 91 -7.134 6.783 0.357 741 HE1 TYR 91 HE1 TYR 91 -11.610 4.858 1.119 742 HE2 TYR 91 HE2 TYR 91 -7.508 4.386 0.062 743 HH TYR 91 HH TYR 91 -9.079 2.648 0.882 744 H LYS 92 H LYS 92 -11.004 10.308 -0.339 745 HA LYS 92 HA LYS 92 -12.128 8.614 -2.315 746 HB2 LYS 92 HB3 LYS 92 -12.988 11.214 -1.041 747 HB3 LYS 92 HB2 LYS 92 -13.851 10.673 -2.475 748 HG2 LYS 92 HG3 LYS 92 -15.040 9.966 -0.468 749 HG3 LYS 92 HG2 LYS 92 -14.443 8.559 -1.351 750 HD2 LYS 92 HD3 LYS 92 -12.555 8.352 0.247 751 HD3 LYS 92 HD2 LYS 92 -13.137 9.773 1.118 752 HE2 LYS 92 HE3 LYS 92 -14.630 7.144 0.827 753 HE3 LYS 92 HE2 LYS 92 -13.766 7.689 2.264 754 HZ1 LYS 92 HZ1 LYS 92 -15.285 9.526 2.465 755 HZ2 LYS 92 HZ2 LYS 92 -16.150 8.077 2.420 756 HZ3 LYS 92 HZ3 LYS 92 -16.098 9.071 1.056 757 H LYS 93 H LYS 93 -10.584 11.818 -2.604 758 HA LYS 93 HA LYS 93 -11.135 12.229 -5.373 759 HB2 LYS 93 HB3 LYS 93 -9.392 13.562 -3.334 760 HB3 LYS 93 HB2 LYS 93 -8.937 13.826 -5.008 761 HG2 LYS 93 HG3 LYS 93 -10.361 15.638 -4.250 762 HG3 LYS 93 HG2 LYS 93 -11.175 14.708 -5.509 763 HD2 LYS 93 HD3 LYS 93 -12.420 13.487 -3.641 764 HD3 LYS 93 HD2 LYS 93 -11.733 14.670 -2.523 765 HE2 LYS 93 HE3 LYS 93 -13.599 15.227 -4.852 766 HE3 LYS 93 HE2 LYS 93 -13.977 15.365 -3.136 767 HZ1 LYS 93 HZ1 LYS 93 -12.022 17.030 -4.628 768 HZ2 LYS 93 HZ2 LYS 93 -12.360 17.157 -2.976 769 HZ3 LYS 93 HZ3 LYS 93 -13.558 17.515 -4.111 770 H VAL 94 H VAL 94 -8.276 10.712 -3.812 771 HA VAL 94 HA VAL 94 -6.783 10.582 -6.289 772 HB VAL 94 HB VAL 94 -5.054 9.338 -5.033 773 HG11 VAL 94 HG11 VAL 94 -4.413 11.132 -3.461 774 HG12 VAL 94 HG12 VAL 94 -6.045 11.799 -3.540 775 HG13 VAL 94 HG13 VAL 94 -5.022 11.797 -4.979 776 HG21 VAL 94 HG21 VAL 94 -5.277 8.915 -2.595 777 HG22 VAL 94 HG22 VAL 94 -6.472 8.001 -3.516 778 HG23 VAL 94 HG23 VAL 94 -6.958 9.461 -2.649 779 H THR 95 H THR 95 -8.972 8.445 -4.594 780 HA THR 95 HA THR 95 -8.438 6.213 -6.449 781 HB THR 95 HB THR 95 -10.122 4.943 -5.122 782 HG1 THR 95 HG1 THR 95 -10.287 6.759 -3.058 783 HG21 THR 95 HG21 THR 95 -7.751 4.881 -4.391 784 HG22 THR 95 HG22 THR 95 -8.854 4.753 -3.019 785 HG23 THR 95 HG23 THR 95 -8.038 6.281 -3.350 786 H GLY 96 H GLY 96 -10.005 9.022 -6.813 787 HA2 GLY 96 HA3 GLY 96 -11.818 8.049 -8.847 788 HA3 GLY 96 HA2 GLY 96 -12.647 8.716 -7.445 789 H LYS 97 H LYS 97 -13.386 10.692 -7.994 790 HA LYS 97 HA LYS 97 -11.708 12.543 -9.600 791 HB2 LYS 97 HB3 LYS 97 -14.738 12.498 -9.240 792 HB3 LYS 97 HB2 LYS 97 -13.846 13.669 -10.209 793 HG2 LYS 97 HG3 LYS 97 -13.124 11.877 -11.736 794 HG3 LYS 97 HG2 LYS 97 -13.964 10.681 -10.741 795 HD2 LYS 97 HD3 LYS 97 -16.123 11.806 -11.234 796 HD3 LYS 97 HD2 LYS 97 -15.276 12.985 -12.239 797 HE2 LYS 97 HE3 LYS 97 -14.602 11.198 -13.784 798 HE3 LYS 97 HE2 LYS 97 -15.387 9.993 -12.760 799 HZ1 LYS 97 HZ1 LYS 97 -16.770 10.606 -14.634 800 HZ2 LYS 97 HZ2 LYS 97 -16.757 12.227 -14.159 801 HZ3 LYS 97 HZ3 LYS 97 -17.503 11.067 -13.182 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 4.669 -20.311 -15.588 2 H2 MET 1 HT2 MET 1 4.975 -19.224 -16.846 3 H3 MET 1 HT3 MET 1 3.406 -19.394 -16.245 4 HA MET 1 HA MET 1 5.732 -18.360 -14.722 5 HB2 MET 1 HB2 MET 1 4.697 -16.138 -14.927 6 HB3 MET 1 HB1 MET 1 5.026 -16.808 -16.518 7 HG2 MET 1 HG2 MET 1 2.630 -17.427 -16.727 8 HG3 MET 1 HG1 MET 1 2.326 -16.689 -15.153 9 HE1 MET 1 HE1 MET 1 3.272 -16.050 -18.933 10 HE2 MET 1 HE2 MET 1 4.704 -15.426 -18.111 11 HE3 MET 1 HE3 MET 1 3.604 -14.318 -18.928 12 H SER 2 H SER 2 4.630 -16.843 -12.879 13 HA SER 2 HA SER 2 2.256 -18.081 -11.660 14 HB2 SER 2 HB3 SER 2 4.123 -19.382 -10.717 15 HB3 SER 2 HB2 SER 2 4.939 -17.902 -10.215 16 HG SER 2 HG SER 2 3.863 -18.167 -8.432 17 H ASP 3 H ASP 3 4.808 -15.601 -11.244 18 HA ASP 3 HA ASP 3 3.304 -13.922 -9.503 19 HB2 ASP 3 HB3 ASP 3 5.748 -13.309 -11.214 20 HB3 ASP 3 HB2 ASP 3 5.123 -12.256 -9.946 21 H TYR 4 H TYR 4 1.886 -12.350 -9.902 22 HA TYR 4 HA TYR 4 1.731 -10.962 -12.498 23 HB2 TYR 4 HB2 TYR 4 -0.602 -12.276 -11.036 24 HB3 TYR 4 HB1 TYR 4 -0.855 -10.948 -12.162 25 HD1 TYR 4 HD1 TYR 4 -0.207 -14.533 -11.861 26 HD2 TYR 4 HD2 TYR 4 -0.266 -11.249 -14.593 27 HE1 TYR 4 HE1 TYR 4 -0.253 -16.101 -13.751 28 HE2 TYR 4 HE2 TYR 4 -0.313 -12.819 -16.483 29 HH TYR 4 HH TYR 4 0.321 -15.171 -16.960 30 H GLU 5 H GLU 5 2.339 -8.942 -11.909 31 HA GLU 5 HA GLU 5 1.756 -7.827 -9.292 32 HB2 GLU 5 HB3 GLU 5 3.169 -6.574 -11.689 33 HB3 GLU 5 HB2 GLU 5 3.022 -5.828 -10.106 34 HG2 GLU 5 HG3 GLU 5 5.207 -6.691 -10.164 35 HG3 GLU 5 HG2 GLU 5 4.301 -7.825 -9.168 36 H ASN 6 H ASN 6 -0.594 -8.010 -9.616 37 HA ASN 6 HA ASN 6 -2.028 -6.189 -11.317 38 HB2 ASN 6 HB3 ASN 6 -2.959 -7.657 -8.810 39 HB3 ASN 6 HB2 ASN 6 -4.010 -6.825 -9.955 40 HD21 ASN 6 HD21 ASN 6 -5.143 -8.734 -10.382 41 HD22 ASN 6 HD22 ASN 6 -4.474 -10.015 -11.319 42 H ASP 7 H ASP 7 -0.325 -5.813 -8.394 43 HA ASP 7 HA ASP 7 -1.581 -3.601 -7.181 44 HB2 ASP 7 HB3 ASP 7 1.403 -4.263 -7.224 45 HB3 ASP 7 HB2 ASP 7 0.565 -3.283 -6.021 46 H ASP 8 H ASP 8 0.934 -3.838 -9.675 47 HA ASP 8 HA ASP 8 1.916 -1.250 -9.746 48 HB2 ASP 8 HB3 ASP 8 1.750 -3.317 -11.965 49 HB3 ASP 8 HB2 ASP 8 2.692 -1.835 -12.093 50 H GLU 9 H GLU 9 -0.878 -2.518 -11.559 51 HA GLU 9 HA GLU 9 -1.204 -0.287 -13.294 52 HB2 GLU 9 HB3 GLU 9 -3.454 -1.208 -13.786 53 HB3 GLU 9 HB2 GLU 9 -2.190 -2.429 -13.871 54 HG2 GLU 9 HG3 GLU 9 -2.843 -3.302 -11.671 55 HG3 GLU 9 HG2 GLU 9 -4.074 -2.050 -11.521 56 H CYS 10 H CYS 10 -2.545 -0.984 -10.069 57 HA CYS 10 HA CYS 10 -4.160 1.440 -10.019 58 HB2 CYS 10 HB3 CYS 10 -4.915 -0.608 -8.824 59 HB3 CYS 10 HB2 CYS 10 -3.542 -0.454 -7.726 60 HG CYS 10 HG CYS 10 -4.475 2.252 -7.029 61 H TRP 11 H TRP 11 -1.002 0.408 -8.798 62 HA TRP 11 HA TRP 11 -0.364 2.806 -7.387 63 HB2 TRP 11 HB2 TRP 11 1.372 0.628 -8.601 64 HB3 TRP 11 HB1 TRP 11 2.091 2.061 -7.878 65 HD1 TRP 11 HD1 TRP 11 1.340 -1.350 -6.937 66 HE1 TRP 11 HE1 TRP 11 1.171 -1.627 -4.391 67 HE3 TRP 11 HE3 TRP 11 0.931 3.582 -5.592 68 HZ2 TRP 11 HZ2 TRP 11 0.908 0.004 -2.121 69 HZ3 TRP 11 HZ3 TRP 11 0.723 4.134 -3.200 70 HH2 TRP 11 HH2 TRP 11 0.714 2.377 -1.498 71 H SER 12 H SER 12 -0.416 1.964 -10.778 72 HA SER 12 HA SER 12 1.076 4.213 -11.766 73 HB2 SER 12 HB3 SER 12 0.819 2.199 -13.153 74 HB3 SER 12 HB2 SER 12 -0.930 2.413 -13.191 75 HG SER 12 HG SER 12 0.186 3.210 -15.077 76 H VAL 13 H VAL 13 -2.351 3.606 -11.080 77 HA VAL 13 HA VAL 13 -3.476 6.012 -12.056 78 HB VAL 13 HB VAL 13 -4.350 4.363 -9.633 79 HG11 VAL 13 HG11 VAL 13 -6.596 5.397 -9.939 80 HG12 VAL 13 HG12 VAL 13 -5.935 6.447 -11.195 81 HG13 VAL 13 HG13 VAL 13 -5.366 6.597 -9.532 82 HG21 VAL 13 HG21 VAL 13 -4.304 3.021 -11.691 83 HG22 VAL 13 HG22 VAL 13 -5.291 4.222 -12.528 84 HG23 VAL 13 HG23 VAL 13 -5.971 3.302 -11.184 85 H LEU 14 H LEU 14 -2.352 5.189 -8.755 86 HA LEU 14 HA LEU 14 -2.530 7.776 -7.626 87 HB2 LEU 14 HB3 LEU 14 -0.760 5.443 -6.801 88 HB3 LEU 14 HB2 LEU 14 -1.060 6.871 -5.818 89 HG LEU 14 HG LEU 14 -3.124 4.784 -6.634 90 HD11 LEU 14 HD11 LEU 14 -1.948 5.392 -3.907 91 HD12 LEU 14 HD12 LEU 14 -1.624 3.969 -4.901 92 HD13 LEU 14 HD13 LEU 14 -3.238 4.232 -4.247 93 HD21 LEU 14 HD21 LEU 14 -3.544 7.293 -4.967 94 HD22 LEU 14 HD22 LEU 14 -4.730 6.008 -5.216 95 HD23 LEU 14 HD23 LEU 14 -4.192 6.981 -6.580 96 H GLU 15 H GLU 15 0.120 6.152 -9.324 97 HA GLU 15 HA GLU 15 2.224 7.965 -8.992 98 HB2 GLU 15 HB3 GLU 15 2.444 5.725 -10.036 99 HB3 GLU 15 HB2 GLU 15 1.542 6.277 -11.437 100 HG2 GLU 15 HG3 GLU 15 3.924 6.159 -11.924 101 HG3 GLU 15 HG2 GLU 15 3.346 7.825 -12.024 102 H GLY 16 H GLY 16 -0.366 7.919 -11.431 103 HA2 GLY 16 HA3 GLY 16 0.201 10.241 -12.873 104 HA3 GLY 16 HA2 GLY 16 -1.403 9.572 -12.625 105 H PHE 17 H PHE 17 -1.230 9.868 -9.666 106 HA PHE 17 HA PHE 17 -1.856 12.756 -9.474 107 HB2 PHE 17 HB2 PHE 17 -2.578 10.418 -7.648 108 HB3 PHE 17 HB1 PHE 17 -3.017 12.094 -7.334 109 HD1 PHE 17 HD1 PHE 17 -4.215 9.063 -8.680 110 HD2 PHE 17 HD2 PHE 17 -4.309 13.284 -9.362 111 HE1 PHE 17 HE1 PHE 17 -6.276 8.810 -10.010 112 HE2 PHE 17 HE2 PHE 17 -6.367 13.020 -10.684 113 HZ PHE 17 HZ PHE 17 -7.352 10.787 -11.014 114 H ARG 18 H ARG 18 0.960 11.277 -9.227 115 HA ARG 18 HA ARG 18 1.907 11.410 -6.611 116 HB2 ARG 18 HB3 ARG 18 3.246 10.402 -8.423 117 HB3 ARG 18 HB2 ARG 18 3.489 11.985 -9.154 118 HG2 ARG 18 HG3 ARG 18 4.717 12.706 -7.102 119 HG3 ARG 18 HG2 ARG 18 4.535 11.078 -6.451 120 HD2 ARG 18 HD3 ARG 18 5.953 11.654 -9.071 121 HD3 ARG 18 HD2 ARG 18 6.781 11.655 -7.510 122 HE ARG 18 HE ARG 18 5.318 9.267 -8.449 123 HH11 ARG 18 HH11 ARG 18 8.321 10.693 -7.461 124 HH12 ARG 18 HH12 ARG 18 9.115 9.162 -7.393 125 HH21 ARG 18 HH21 ARG 18 6.387 7.365 -8.335 126 HH22 ARG 18 HH22 ARG 18 8.045 7.327 -7.858 127 H VAL 19 H VAL 19 1.592 14.073 -8.952 128 HA VAL 19 HA VAL 19 2.922 16.147 -7.643 129 HB VAL 19 HB VAL 19 1.453 17.735 -8.851 130 HG11 VAL 19 HG11 VAL 19 1.931 16.992 -11.159 131 HG12 VAL 19 HG12 VAL 19 2.250 15.359 -10.570 132 HG13 VAL 19 HG13 VAL 19 3.302 16.691 -10.087 133 HG21 VAL 19 HG21 VAL 19 -0.217 15.307 -9.639 134 HG22 VAL 19 HG22 VAL 19 -0.423 16.941 -10.276 135 HG23 VAL 19 HG23 VAL 19 -0.732 16.615 -8.570 136 H THR 20 H THR 20 -0.280 14.836 -6.980 137 HA THR 20 HA THR 20 -0.994 16.813 -4.964 138 HB THR 20 HB THR 20 -2.427 14.219 -5.712 139 HG1 THR 20 HG1 THR 20 -3.386 15.311 -7.291 140 HG21 THR 20 HG21 THR 20 -3.468 16.710 -4.302 141 HG22 THR 20 HG22 THR 20 -3.191 15.138 -3.544 142 HG23 THR 20 HG23 THR 20 -4.440 15.319 -4.777 143 H LEU 21 H LEU 21 -0.041 13.365 -5.075 144 HA LEU 21 HA LEU 21 -0.443 12.688 -2.368 145 HB2 LEU 21 HB3 LEU 21 1.710 11.521 -4.174 146 HB3 LEU 21 HB2 LEU 21 1.034 10.771 -2.736 147 HG LEU 21 HG LEU 21 -0.313 11.157 -5.435 148 HD11 LEU 21 HD11 LEU 21 1.234 9.274 -5.310 149 HD12 LEU 21 HD12 LEU 21 -0.427 8.717 -5.484 150 HD13 LEU 21 HD13 LEU 21 0.372 8.628 -3.910 151 HD21 LEU 21 HD21 LEU 21 -2.008 11.615 -3.733 152 HD22 LEU 21 HD22 LEU 21 -1.630 10.101 -2.910 153 HD23 LEU 21 HD23 LEU 21 -2.329 10.078 -4.531 154 H THR 22 H THR 22 2.478 13.858 -4.016 155 HA THR 22 HA THR 22 4.236 13.825 -1.786 156 HB THR 22 HB THR 22 5.748 15.212 -3.218 157 HG1 THR 22 HG1 THR 22 4.239 15.079 -5.488 158 HG21 THR 22 HG21 THR 22 6.054 13.563 -5.025 159 HG22 THR 22 HG22 THR 22 4.458 12.886 -4.697 160 HG23 THR 22 HG23 THR 22 5.741 12.749 -3.490 161 H SER 23 H SER 23 1.901 16.189 -2.857 162 HA SER 23 HA SER 23 3.017 18.391 -1.319 163 HB2 SER 23 HB3 SER 23 0.356 18.111 -2.779 164 HB3 SER 23 HB2 SER 23 0.933 19.600 -2.024 165 HG SER 23 HG SER 23 1.437 18.733 -4.456 166 H VAL 24 H VAL 24 0.029 16.406 -1.079 167 HA VAL 24 HA VAL 24 -0.732 17.666 1.440 168 HB VAL 24 HB VAL 24 -2.183 15.431 -0.039 169 HG11 VAL 24 HG11 VAL 24 -3.193 17.420 2.036 170 HG12 VAL 24 HG12 VAL 24 -2.915 15.699 2.298 171 HG13 VAL 24 HG13 VAL 24 -4.186 16.225 1.194 172 HG21 VAL 24 HG21 VAL 24 -3.588 17.196 -1.073 173 HG22 VAL 24 HG22 VAL 24 -1.897 17.347 -1.558 174 HG23 VAL 24 HG23 VAL 24 -2.564 18.438 -0.343 175 H ILE 25 H ILE 25 0.057 14.340 0.350 176 HA ILE 25 HA ILE 25 -0.248 13.206 3.004 177 HB ILE 25 HB ILE 25 0.873 11.885 0.487 178 HG12 ILE 25 HG12 ILE 25 -1.971 11.701 1.574 179 HG13 ILE 25 HG11 ILE 25 -1.493 12.758 0.249 180 HG21 ILE 25 HG21 ILE 25 0.352 9.731 1.606 181 HG22 ILE 25 HG22 ILE 25 -0.145 10.604 3.056 182 HG23 ILE 25 HG23 ILE 25 1.536 10.668 2.524 183 HD11 ILE 25 HD11 ILE 25 -1.308 9.749 0.248 184 HD12 ILE 25 HD12 ILE 25 -0.860 10.822 -1.082 185 HD13 ILE 25 HD13 ILE 25 -2.537 10.727 -0.551 186 H ASP 26 H ASP 26 1.301 13.425 4.515 187 HA ASP 26 HA ASP 26 4.168 13.324 3.836 188 HB2 ASP 26 HB3 ASP 26 3.073 13.407 6.678 189 HB3 ASP 26 HB2 ASP 26 4.618 13.991 6.079 190 HA PRO 27 HA PRO 27 4.056 8.885 5.047 191 HB2 PRO 27 HB3 PRO 27 6.959 8.795 5.222 192 HB3 PRO 27 HB2 PRO 27 5.918 8.099 3.986 193 HG2 PRO 27 HG3 PRO 27 7.649 10.241 3.579 194 HG3 PRO 27 HG2 PRO 27 6.265 9.845 2.551 195 HD2 PRO 27 HD3 PRO 27 6.518 11.953 4.660 196 HD3 PRO 27 HD2 PRO 27 5.592 11.976 3.143 197 H SER 28 H SER 28 5.962 11.392 6.625 198 HA SER 28 HA SER 28 6.391 10.243 9.164 199 HB2 SER 28 HB3 SER 28 7.628 12.230 8.477 200 HB3 SER 28 HB2 SER 28 6.139 13.158 8.306 201 HG SER 28 HG SER 28 6.178 13.556 10.363 202 H ARG 29 H ARG 29 3.626 11.897 7.757 203 HA ARG 29 HA ARG 29 1.997 12.422 9.969 204 HB2 ARG 29 HB3 ARG 29 1.591 13.092 7.544 205 HB3 ARG 29 HB2 ARG 29 1.056 11.450 7.229 206 HG2 ARG 29 HG3 ARG 29 -0.909 12.764 7.481 207 HG3 ARG 29 HG2 ARG 29 -0.766 11.818 8.966 208 HD2 ARG 29 HD3 ARG 29 -1.405 14.158 9.434 209 HD3 ARG 29 HD2 ARG 29 0.173 13.774 10.136 210 HE ARG 29 HE ARG 29 0.379 14.921 7.510 211 HH11 ARG 29 HH11 ARG 29 0.007 15.795 10.836 212 HH12 ARG 29 HH12 ARG 29 0.695 17.360 10.597 213 HH21 ARG 29 HH21 ARG 29 1.279 16.893 7.246 214 HH22 ARG 29 HH22 ARG 29 1.385 17.983 8.586 215 H ILE 30 H ILE 30 2.625 9.425 8.261 216 HA ILE 30 HA ILE 30 0.608 7.935 9.851 217 HB ILE 30 HB ILE 30 0.331 6.463 7.823 218 HG12 ILE 30 HG12 ILE 30 1.994 8.628 6.427 219 HG13 ILE 30 HG11 ILE 30 2.499 6.965 6.697 220 HG21 ILE 30 HG21 ILE 30 -0.342 9.398 7.365 221 HG22 ILE 30 HG22 ILE 30 -1.297 8.247 8.302 222 HG23 ILE 30 HG23 ILE 30 -1.110 8.020 6.565 223 HD11 ILE 30 HD11 ILE 30 0.241 7.877 4.923 224 HD12 ILE 30 HD12 ILE 30 0.708 6.198 5.207 225 HD13 ILE 30 HD13 ILE 30 1.827 7.301 4.409 226 H THR 31 H THR 31 3.787 8.297 9.946 227 HA THR 31 HA THR 31 5.080 5.908 9.425 228 HB THR 31 HB THR 31 6.553 6.609 11.586 229 HG1 THR 31 HG1 THR 31 6.013 9.195 11.119 230 HG21 THR 31 HG21 THR 31 6.528 8.222 9.008 231 HG22 THR 31 HG22 THR 31 7.373 6.693 9.256 232 HG23 THR 31 HG23 THR 31 7.870 8.129 10.154 233 HA PRO 32 HA PRO 32 4.093 4.055 13.880 234 HB2 PRO 32 HB3 PRO 32 1.790 4.920 15.141 235 HB3 PRO 32 HB2 PRO 32 3.389 5.607 15.447 236 HG2 PRO 32 HG3 PRO 32 1.208 6.632 13.628 237 HG3 PRO 32 HG2 PRO 32 2.213 7.529 14.788 238 HD2 PRO 32 HD3 PRO 32 2.771 7.564 12.160 239 HD3 PRO 32 HD2 PRO 32 4.068 7.553 13.373 240 H TYR 33 H TYR 33 1.405 5.020 11.755 241 HA TYR 33 HA TYR 33 -0.182 2.670 12.088 242 HB2 TYR 33 HB2 TYR 33 -1.091 4.863 11.240 243 HB3 TYR 33 HB1 TYR 33 -0.206 4.614 9.738 244 HD1 TYR 33 HD1 TYR 33 -1.000 2.977 8.072 245 HD2 TYR 33 HD2 TYR 33 -3.053 3.435 11.794 246 HE1 TYR 33 HE1 TYR 33 -2.867 1.625 7.213 247 HE2 TYR 33 HE2 TYR 33 -4.924 2.101 10.923 248 HH TYR 33 HH TYR 33 -4.693 0.268 8.053 249 H LEU 34 H LEU 34 2.247 3.679 9.692 250 HA LEU 34 HA LEU 34 2.067 1.441 7.949 251 HB2 LEU 34 HB3 LEU 34 4.392 3.335 8.449 252 HB3 LEU 34 HB2 LEU 34 4.308 2.195 7.115 253 HG LEU 34 HG LEU 34 2.496 4.611 7.516 254 HD11 LEU 34 HD11 LEU 34 4.762 5.255 6.891 255 HD12 LEU 34 HD12 LEU 34 3.651 5.554 5.557 256 HD13 LEU 34 HD13 LEU 34 4.730 4.154 5.509 257 HD21 LEU 34 HD21 LEU 34 2.523 2.615 5.221 258 HD22 LEU 34 HD22 LEU 34 1.605 4.127 5.253 259 HD23 LEU 34 HD23 LEU 34 1.231 2.843 6.406 260 H ARG 35 H ARG 35 4.172 2.142 10.757 261 HA ARG 35 HA ARG 35 5.631 -0.310 10.752 262 HB2 ARG 35 HB3 ARG 35 5.049 1.674 12.972 263 HB3 ARG 35 HB2 ARG 35 6.075 0.256 13.204 264 HG2 ARG 35 HG3 ARG 35 7.590 1.086 11.423 265 HG3 ARG 35 HG2 ARG 35 6.582 2.530 11.259 266 HD2 ARG 35 HD3 ARG 35 8.587 2.925 12.660 267 HD3 ARG 35 HD2 ARG 35 7.085 3.189 13.551 268 HE ARG 35 HE ARG 35 8.033 0.529 13.901 269 HH11 ARG 35 HH11 ARG 35 8.790 3.741 14.948 270 HH12 ARG 35 HH12 ARG 35 9.372 3.196 16.483 271 HH21 ARG 35 HH21 ARG 35 8.793 -0.116 15.853 272 HH22 ARG 35 HH22 ARG 35 9.369 1.052 16.987 273 H GLN 36 H GLN 36 2.633 0.653 12.434 274 HA GLN 36 HA GLN 36 2.074 -1.657 13.910 275 HB2 GLN 36 HB3 GLN 36 0.787 0.411 14.154 276 HB3 GLN 36 HB2 GLN 36 0.191 0.283 12.506 277 HG2 GLN 36 HG3 GLN 36 -1.090 -1.735 13.131 278 HG3 GLN 36 HG2 GLN 36 -0.504 -1.590 14.788 279 HE21 GLN 36 HE21 GLN 36 -3.241 -1.508 13.739 280 HE22 GLN 36 HE22 GLN 36 -3.910 -0.016 14.280 281 H CYS 37 H CYS 37 1.395 -0.927 10.519 282 HA CYS 37 HA CYS 37 0.156 -3.492 9.946 283 HB2 CYS 37 HB3 CYS 37 -0.593 -1.375 8.868 284 HB3 CYS 37 HB2 CYS 37 0.963 -1.262 8.050 285 HG CYS 37 HG CYS 37 -1.738 -2.951 7.210 286 H LYS 38 H LYS 38 3.330 -2.553 10.328 287 HA LYS 38 HA LYS 38 5.336 -3.529 10.012 288 HB2 LYS 38 HB3 LYS 38 3.656 -5.882 9.071 289 HB3 LYS 38 HB2 LYS 38 5.395 -5.974 9.303 290 HG2 LYS 38 HG3 LYS 38 3.831 -4.994 11.659 291 HG3 LYS 38 HG2 LYS 38 3.553 -6.670 11.202 292 HD2 LYS 38 HD3 LYS 38 5.282 -6.592 12.905 293 HD3 LYS 38 HD2 LYS 38 6.001 -7.117 11.384 294 HE2 LYS 38 HE3 LYS 38 7.497 -5.557 12.503 295 HE3 LYS 38 HE2 LYS 38 6.866 -4.802 11.040 296 HZ1 LYS 38 HZ1 LYS 38 5.900 -4.321 13.806 297 HZ2 LYS 38 HZ2 LYS 38 5.255 -3.615 12.414 298 HZ3 LYS 38 HZ3 LYS 38 6.840 -3.266 12.877 299 H VAL 39 H VAL 39 3.872 -2.133 7.633 300 HA VAL 39 HA VAL 39 5.250 -3.261 5.316 301 HB VAL 39 HB VAL 39 4.060 -1.641 3.957 302 HG11 VAL 39 HG11 VAL 39 2.799 -3.632 4.680 303 HG12 VAL 39 HG12 VAL 39 1.723 -2.253 4.468 304 HG13 VAL 39 HG13 VAL 39 2.197 -2.760 6.093 305 HG21 VAL 39 HG21 VAL 39 2.548 0.093 4.916 306 HG22 VAL 39 HG22 VAL 39 4.230 0.370 5.365 307 HG23 VAL 39 HG23 VAL 39 3.112 -0.323 6.539 308 H LEU 40 H LEU 40 5.784 -0.727 7.622 309 HA LEU 40 HA LEU 40 7.927 0.564 6.037 310 HB2 LEU 40 HB3 LEU 40 6.109 1.943 7.151 311 HB3 LEU 40 HB2 LEU 40 6.725 1.412 8.704 312 HG LEU 40 HG LEU 40 8.958 2.511 8.034 313 HD11 LEU 40 HD11 LEU 40 8.569 2.681 5.622 314 HD12 LEU 40 HD12 LEU 40 8.893 4.263 6.323 315 HD13 LEU 40 HD13 LEU 40 7.239 3.812 5.898 316 HD21 LEU 40 HD21 LEU 40 6.538 4.313 8.415 317 HD22 LEU 40 HD22 LEU 40 8.221 4.761 8.716 318 HD23 LEU 40 HD23 LEU 40 7.456 3.514 9.696 319 H ASN 41 H ASN 41 9.963 -0.186 6.390 320 HA ASN 41 HA ASN 41 10.696 -1.628 8.827 321 HB2 ASN 41 HB3 ASN 41 12.406 -0.902 6.403 322 HB3 ASN 41 HB2 ASN 41 12.843 -2.044 7.672 323 HD21 ASN 41 HD21 ASN 41 10.853 -1.506 4.864 324 HD22 ASN 41 HD22 ASN 41 10.365 -3.144 4.644 325 HA PRO 42 HA PRO 42 12.697 1.753 11.126 326 HB2 PRO 42 HB3 PRO 42 15.231 0.604 11.656 327 HB3 PRO 42 HB2 PRO 42 13.782 0.396 12.642 328 HG2 PRO 42 HG3 PRO 42 14.884 -1.391 10.479 329 HG3 PRO 42 HG2 PRO 42 14.207 -1.838 12.062 330 HD2 PRO 42 HD3 PRO 42 12.726 -2.133 9.873 331 HD3 PRO 42 HD2 PRO 42 11.977 -1.466 11.345 332 H ASP 43 H ASP 43 14.560 0.245 8.511 333 HA ASP 43 HA ASP 43 16.484 2.255 8.003 334 HB2 ASP 43 HB3 ASP 43 15.209 0.379 5.956 335 HB3 ASP 43 HB2 ASP 43 16.792 1.149 5.837 336 H ASP 44 H ASP 44 13.266 1.690 6.587 337 HA ASP 44 HA ASP 44 13.224 4.015 4.903 338 HB2 ASP 44 HB3 ASP 44 10.837 2.372 5.840 339 HB3 ASP 44 HB2 ASP 44 10.912 3.417 4.420 340 H GLU 45 H GLU 45 12.132 3.295 8.179 341 HA GLU 45 HA GLU 45 10.454 5.531 8.605 342 HB2 GLU 45 HB3 GLU 45 10.411 3.576 10.122 343 HB3 GLU 45 HB2 GLU 45 12.060 3.926 10.634 344 HG2 GLU 45 HG3 GLU 45 11.229 6.149 11.513 345 HG3 GLU 45 HG2 GLU 45 9.591 5.609 11.148 346 H GLU 46 H GLU 46 13.882 4.984 9.517 347 HA GLU 46 HA GLU 46 14.528 7.541 10.454 348 HB2 GLU 46 HB3 GLU 46 16.016 5.608 10.758 349 HB3 GLU 46 HB2 GLU 46 16.296 5.507 9.026 350 HG2 GLU 46 HG3 GLU 46 18.212 6.486 10.230 351 HG3 GLU 46 HG2 GLU 46 17.530 7.597 9.046 352 H GLN 47 H GLN 47 14.738 6.225 7.155 353 HA GLN 47 HA GLN 47 15.691 8.398 5.716 354 HB2 GLN 47 HB3 GLN 47 15.461 6.216 4.717 355 HB3 GLN 47 HB2 GLN 47 13.721 6.213 4.963 356 HG2 GLN 47 HG3 GLN 47 13.457 7.970 3.278 357 HG3 GLN 47 HG2 GLN 47 15.207 8.037 3.058 358 HE21 GLN 47 HE21 GLN 47 12.331 6.107 2.515 359 HE22 GLN 47 HE22 GLN 47 13.031 5.064 1.332 360 H VAL 48 H VAL 48 12.313 7.748 6.662 361 HA VAL 48 HA VAL 48 11.157 10.032 5.361 362 HB VAL 48 HB VAL 48 10.096 8.229 7.582 363 HG11 VAL 48 HG11 VAL 48 7.864 9.175 7.130 364 HG12 VAL 48 HG12 VAL 48 8.566 10.318 5.982 365 HG13 VAL 48 HG13 VAL 48 8.976 10.422 7.699 366 HG21 VAL 48 HG21 VAL 48 10.456 7.095 5.406 367 HG22 VAL 48 HG22 VAL 48 9.439 8.292 4.606 368 HG23 VAL 48 HG23 VAL 48 8.740 7.196 5.799 369 H LEU 49 H LEU 49 11.926 9.345 8.782 370 HA LEU 49 HA LEU 49 11.048 11.859 9.812 371 HB2 LEU 49 HB3 LEU 49 12.737 9.698 11.122 372 HB3 LEU 49 HB2 LEU 49 11.999 11.052 11.968 373 HG LEU 49 HG LEU 49 10.519 8.769 10.592 374 HD11 LEU 49 HD11 LEU 49 11.567 8.105 12.702 375 HD12 LEU 49 HD12 LEU 49 9.810 8.110 12.828 376 HD13 LEU 49 HD13 LEU 49 10.747 9.427 13.543 377 HD21 LEU 49 HD21 LEU 49 8.442 9.743 11.478 378 HD22 LEU 49 HD22 LEU 49 9.226 10.837 10.344 379 HD23 LEU 49 HD23 LEU 49 9.337 11.143 12.080 380 H SER 50 H SER 50 13.979 10.882 8.325 381 HA SER 50 HA SER 50 15.789 12.794 9.367 382 HB2 SER 50 HB3 SER 50 16.464 10.896 7.903 383 HB3 SER 50 HB2 SER 50 15.651 11.657 6.537 384 HG SER 50 HG SER 50 18.112 12.142 7.594 385 H ASP 51 H ASP 51 13.161 13.075 7.025 386 HA ASP 51 HA ASP 51 13.626 16.003 6.772 387 HB2 ASP 51 HB3 ASP 51 12.183 14.135 4.837 388 HB3 ASP 51 HB2 ASP 51 12.350 15.878 4.631 389 HA PRO 52 HA PRO 52 9.604 15.774 9.071 390 HB2 PRO 52 HB3 PRO 52 10.561 17.880 10.841 391 HB3 PRO 52 HB2 PRO 52 10.248 16.189 11.233 392 HG2 PRO 52 HG3 PRO 52 12.774 17.313 11.216 393 HG3 PRO 52 HG2 PRO 52 12.460 15.583 10.968 394 HD2 PRO 52 HD3 PRO 52 12.967 17.731 8.902 395 HD3 PRO 52 HD2 PRO 52 13.622 16.078 8.998 396 H ASN 53 H ASN 53 11.185 19.015 9.036 397 HA ASN 53 HA ASN 53 8.818 20.195 7.687 398 HB2 ASN 53 HB3 ASN 53 10.958 21.525 9.406 399 HB3 ASN 53 HB2 ASN 53 9.602 22.365 8.664 400 HD21 ASN 53 HD21 ASN 53 7.500 22.028 9.505 401 HD22 ASN 53 HD22 ASN 53 7.257 21.332 11.066 402 H LEU 54 H LEU 54 11.593 18.950 6.688 403 HA LEU 54 HA LEU 54 12.737 21.110 5.133 404 HB2 LEU 54 HB3 LEU 54 13.254 18.109 5.103 405 HB3 LEU 54 HB2 LEU 54 14.185 19.284 4.182 406 HG LEU 54 HG LEU 54 14.010 19.203 7.227 407 HD11 LEU 54 HD11 LEU 54 16.333 18.419 7.201 408 HD12 LEU 54 HD12 LEU 54 16.299 18.334 5.438 409 HD13 LEU 54 HD13 LEU 54 15.256 17.277 6.394 410 HD21 LEU 54 HD21 LEU 54 15.748 20.948 5.437 411 HD22 LEU 54 HD22 LEU 54 15.813 20.883 7.202 412 HD23 LEU 54 HD23 LEU 54 14.369 21.491 6.399 413 H VAL 55 H VAL 55 12.675 21.357 2.879 414 HA VAL 55 HA VAL 55 10.209 20.858 1.562 415 HB VAL 55 HB VAL 55 12.853 21.730 0.292 416 HG11 VAL 55 HG11 VAL 55 11.457 22.793 -1.471 417 HG12 VAL 55 HG12 VAL 55 10.008 22.104 -0.739 418 HG13 VAL 55 HG13 VAL 55 11.236 21.043 -1.429 419 HG21 VAL 55 HG21 VAL 55 10.640 23.468 1.459 420 HG22 VAL 55 HG22 VAL 55 12.073 24.057 0.610 421 HG23 VAL 55 HG23 VAL 55 12.243 23.222 2.154 422 H ILE 56 H ILE 56 13.211 19.048 1.633 423 HA ILE 56 HA ILE 56 12.933 17.412 -0.655 424 HB ILE 56 HB ILE 56 14.325 16.719 1.976 425 HG12 ILE 56 HG12 ILE 56 15.166 18.855 1.024 426 HG13 ILE 56 HG11 ILE 56 16.400 17.604 0.952 427 HG21 ILE 56 HG21 ILE 56 14.764 15.504 -0.785 428 HG22 ILE 56 HG22 ILE 56 14.050 14.700 0.612 429 HG23 ILE 56 HG23 ILE 56 15.747 15.173 0.646 430 HD11 ILE 56 HD11 ILE 56 16.382 18.954 -1.061 431 HD12 ILE 56 HD12 ILE 56 14.695 18.544 -1.358 432 HD13 ILE 56 HD13 ILE 56 15.937 17.290 -1.434 433 H ARG 57 H ARG 57 11.163 17.332 2.338 434 HA ARG 57 HA ARG 57 10.449 14.690 2.731 435 HB2 ARG 57 HB3 ARG 57 9.855 16.797 4.122 436 HB3 ARG 57 HB2 ARG 57 8.466 16.979 3.068 437 HG2 ARG 57 HG3 ARG 57 8.938 14.442 4.660 438 HG3 ARG 57 HG2 ARG 57 8.133 15.839 5.365 439 HD2 ARG 57 HD3 ARG 57 7.162 14.417 2.863 440 HD3 ARG 57 HD2 ARG 57 6.604 14.038 4.489 441 HE ARG 57 HE ARG 57 5.725 16.338 4.615 442 HH11 ARG 57 HH11 ARG 57 6.374 15.171 1.434 443 HH12 ARG 57 HH12 ARG 57 5.086 16.072 0.737 444 HH21 ARG 57 HH21 ARG 57 4.060 17.454 3.683 445 HH22 ARG 57 HH22 ARG 57 3.802 17.353 1.976 446 H LYS 58 H LYS 58 9.018 16.967 0.376 447 HA LYS 58 HA LYS 58 6.929 15.301 -0.564 448 HB2 LYS 58 HB3 LYS 58 6.775 16.812 -2.482 449 HB3 LYS 58 HB2 LYS 58 6.976 17.718 -0.990 450 HG2 LYS 58 HG3 LYS 58 9.420 17.965 -1.557 451 HG3 LYS 58 HG2 LYS 58 9.078 17.232 -3.125 452 HD2 LYS 58 HD3 LYS 58 7.842 19.814 -2.060 453 HD3 LYS 58 HD2 LYS 58 9.148 19.716 -3.245 454 HE2 LYS 58 HE3 LYS 58 6.330 18.637 -3.649 455 HE3 LYS 58 HE2 LYS 58 6.949 20.154 -4.299 456 HZ1 LYS 58 HZ1 LYS 58 8.549 18.941 -5.600 457 HZ2 LYS 58 HZ2 LYS 58 6.996 18.353 -5.921 458 HZ3 LYS 58 HZ3 LYS 58 8.043 17.472 -4.933 459 H ARG 59 H ARG 59 10.304 15.609 -1.606 460 HA ARG 59 HA ARG 59 10.196 13.787 -3.798 461 HB2 ARG 59 HB3 ARG 59 12.003 15.478 -3.446 462 HB3 ARG 59 HB2 ARG 59 12.580 14.561 -2.060 463 HG2 ARG 59 HG3 ARG 59 13.237 12.710 -3.490 464 HG3 ARG 59 HG2 ARG 59 12.483 13.474 -4.892 465 HD2 ARG 59 HD3 ARG 59 14.116 15.359 -4.697 466 HD3 ARG 59 HD2 ARG 59 14.895 14.502 -3.359 467 HE ARG 59 HE ARG 59 14.959 12.671 -5.333 468 HH11 ARG 59 HH11 ARG 59 16.037 15.967 -5.263 469 HH12 ARG 59 HH12 ARG 59 17.247 15.686 -6.460 470 HH21 ARG 59 HH21 ARG 59 16.520 12.358 -6.821 471 HH22 ARG 59 HH22 ARG 59 17.520 13.674 -7.322 472 H LYS 60 H LYS 60 10.793 13.426 -0.327 473 HA LYS 60 HA LYS 60 11.483 10.662 -0.334 474 HB2 LYS 60 HB3 LYS 60 10.281 12.223 1.985 475 HB3 LYS 60 HB2 LYS 60 11.220 10.732 2.086 476 HG2 LYS 60 HG3 LYS 60 12.221 13.472 1.252 477 HG3 LYS 60 HG2 LYS 60 12.597 12.623 2.750 478 HD2 LYS 60 HD3 LYS 60 13.359 11.552 -0.002 479 HD3 LYS 60 HD2 LYS 60 14.409 12.610 0.939 480 HE2 LYS 60 HE3 LYS 60 13.362 9.979 2.018 481 HE3 LYS 60 HE2 LYS 60 14.870 10.112 1.115 482 HZ1 LYS 60 HZ1 LYS 60 15.756 11.563 2.760 483 HZ2 LYS 60 HZ2 LYS 60 15.154 10.195 3.550 484 HZ3 LYS 60 HZ3 LYS 60 14.284 11.646 3.588 485 H VAL 61 H VAL 61 8.323 12.323 -0.177 486 HA VAL 61 HA VAL 61 6.692 10.029 0.261 487 HB VAL 61 HB VAL 61 5.942 12.409 -1.503 488 HG11 VAL 61 HG11 VAL 61 3.598 11.871 -0.898 489 HG12 VAL 61 HG12 VAL 61 4.151 10.469 0.022 490 HG13 VAL 61 HG13 VAL 61 4.374 10.519 -1.728 491 HG21 VAL 61 HG21 VAL 61 6.687 13.232 0.675 492 HG22 VAL 61 HG22 VAL 61 5.581 12.134 1.495 493 HG23 VAL 61 HG23 VAL 61 4.946 13.446 0.501 494 H GLY 62 H GLY 62 7.962 11.493 -2.743 495 HA2 GLY 62 HA3 GLY 62 6.929 9.725 -4.658 496 HA3 GLY 62 HA2 GLY 62 8.432 10.620 -4.814 497 H VAL 63 H VAL 63 9.990 9.500 -2.813 498 HA VAL 63 HA VAL 63 10.897 6.985 -3.775 499 HB VAL 63 HB VAL 63 11.377 8.241 -1.028 500 HG11 VAL 63 HG11 VAL 63 11.974 5.850 -1.011 501 HG12 VAL 63 HG12 VAL 63 13.428 6.843 -0.927 502 HG13 VAL 63 HG13 VAL 63 12.979 6.067 -2.447 503 HG21 VAL 63 HG21 VAL 63 12.065 9.759 -2.835 504 HG22 VAL 63 HG22 VAL 63 13.034 8.482 -3.574 505 HG23 VAL 63 HG23 VAL 63 13.483 9.129 -1.994 506 H LEU 64 H LEU 64 8.727 7.846 -1.096 507 HA LEU 64 HA LEU 64 8.561 5.338 0.184 508 HB2 LEU 64 HB3 LEU 64 7.753 7.826 0.856 509 HB3 LEU 64 HB2 LEU 64 6.213 7.230 0.291 510 HG LEU 64 HG LEU 64 6.499 7.104 2.765 511 HD11 LEU 64 HD11 LEU 64 6.155 4.389 1.502 512 HD12 LEU 64 HD12 LEU 64 4.902 5.609 1.737 513 HD13 LEU 64 HD13 LEU 64 5.663 4.852 3.136 514 HD21 LEU 64 HD21 LEU 64 8.902 6.654 2.843 515 HD22 LEU 64 HD22 LEU 64 8.628 5.026 2.218 516 HD23 LEU 64 HD23 LEU 64 7.991 5.487 3.799 517 H LEU 65 H LEU 65 6.674 6.684 -2.513 518 HA LEU 65 HA LEU 65 4.616 4.773 -2.721 519 HB2 LEU 65 HB3 LEU 65 6.022 6.266 -4.975 520 HB3 LEU 65 HB2 LEU 65 4.468 5.454 -5.117 521 HG LEU 65 HG LEU 65 5.038 7.892 -3.380 522 HD11 LEU 65 HD11 LEU 65 5.065 8.460 -5.758 523 HD12 LEU 65 HD12 LEU 65 3.648 9.146 -4.967 524 HD13 LEU 65 HD13 LEU 65 3.482 7.709 -5.981 525 HD21 LEU 65 HD21 LEU 65 2.400 6.462 -3.866 526 HD22 LEU 65 HD22 LEU 65 2.613 7.971 -2.971 527 HD23 LEU 65 HD23 LEU 65 3.317 6.480 -2.356 528 H ASP 66 H ASP 66 7.892 4.776 -4.100 529 HA ASP 66 HA ASP 66 7.813 2.361 -5.560 530 HB2 ASP 66 HB3 ASP 66 9.568 4.055 -5.880 531 HB3 ASP 66 HB2 ASP 66 10.157 3.790 -4.242 532 H ILE 67 H ILE 67 8.810 3.022 -2.206 533 HA ILE 67 HA ILE 67 9.576 0.432 -1.384 534 HB ILE 67 HB ILE 67 8.285 2.623 0.316 535 HG12 ILE 67 HG12 ILE 67 11.257 2.133 -0.199 536 HG13 ILE 67 HG11 ILE 67 10.305 3.399 -0.965 537 HG21 ILE 67 HG21 ILE 67 10.041 0.296 1.209 538 HG22 ILE 67 HG22 ILE 67 8.311 0.470 1.513 539 HG23 ILE 67 HG23 ILE 67 9.452 1.596 2.249 540 HD11 ILE 67 HD11 ILE 67 10.887 3.165 1.985 541 HD12 ILE 67 HD12 ILE 67 9.938 4.439 1.213 542 HD13 ILE 67 HD13 ILE 67 11.651 4.268 0.843 543 H LEU 68 H LEU 68 6.422 2.077 -1.230 544 HA LEU 68 HA LEU 68 4.922 0.012 -0.010 545 HB2 LEU 68 HB3 LEU 68 4.069 2.341 -1.743 546 HB3 LEU 68 HB2 LEU 68 2.925 1.270 -0.943 547 HG LEU 68 HG LEU 68 4.978 2.985 0.503 548 HD11 LEU 68 HD11 LEU 68 3.089 4.420 1.136 549 HD12 LEU 68 HD12 LEU 68 2.009 3.463 0.120 550 HD13 LEU 68 HD13 LEU 68 3.326 4.386 -0.611 551 HD21 LEU 68 HD21 LEU 68 3.753 2.392 2.548 552 HD22 LEU 68 HD22 LEU 68 4.370 0.940 1.758 553 HD23 LEU 68 HD23 LEU 68 2.658 1.359 1.622 554 H GLN 69 H GLN 69 5.657 0.707 -3.407 555 HA GLN 69 HA GLN 69 3.918 -1.279 -4.523 556 HB2 GLN 69 HB3 GLN 69 4.872 0.658 -5.807 557 HB3 GLN 69 HB2 GLN 69 6.454 -0.114 -5.748 558 HG2 GLN 69 HG3 GLN 69 5.557 -2.028 -7.037 559 HG3 GLN 69 HG2 GLN 69 3.977 -1.247 -7.092 560 HE21 GLN 69 HE21 GLN 69 3.971 -1.175 -9.327 561 HE22 GLN 69 HE22 GLN 69 4.979 -0.111 -10.235 562 H ARG 70 H ARG 70 7.364 -1.320 -3.545 563 HA ARG 70 HA ARG 70 8.008 -3.961 -4.367 564 HB2 ARG 70 HB3 ARG 70 9.211 -2.314 -2.104 565 HB3 ARG 70 HB2 ARG 70 9.900 -3.816 -2.721 566 HG2 ARG 70 HG3 ARG 70 10.196 -2.732 -4.949 567 HG3 ARG 70 HG2 ARG 70 9.581 -1.223 -4.273 568 HD2 ARG 70 HD3 ARG 70 11.475 -1.283 -2.604 569 HD3 ARG 70 HD2 ARG 70 12.121 -2.688 -3.465 570 HE ARG 70 HE ARG 70 11.662 -0.308 -5.075 571 HH11 ARG 70 HH11 ARG 70 14.012 -2.121 -3.285 572 HH12 ARG 70 HH12 ARG 70 15.340 -1.295 -4.016 573 HH21 ARG 70 HH21 ARG 70 13.377 0.740 -5.953 574 HH22 ARG 70 HH22 ARG 70 14.985 0.299 -5.503 575 H THR 71 H THR 71 6.569 -2.715 -1.368 576 HA THR 71 HA THR 71 6.115 -5.452 -0.347 577 HB THR 71 HB THR 71 6.961 -3.715 1.276 578 HG1 THR 71 HG1 THR 71 4.722 -5.300 1.634 579 HG21 THR 71 HG21 THR 71 5.750 -1.725 0.483 580 HG22 THR 71 HG22 THR 71 5.422 -2.024 2.191 581 HG23 THR 71 HG23 THR 71 4.219 -2.450 0.973 582 H GLY 72 H GLY 72 4.767 -4.290 -2.767 583 HA2 GLY 72 HA3 GLY 72 2.460 -3.009 -2.740 584 HA3 GLY 72 HA2 GLY 72 2.712 -4.378 -3.791 585 H HIS 73 H HIS 73 2.444 -6.540 -2.073 586 HA HIS 73 HA HIS 73 -0.354 -6.859 -2.023 587 HB2 HIS 73 HB2 HIS 73 1.701 -8.509 -0.477 588 HB3 HIS 73 HB1 HIS 73 0.056 -9.007 -0.873 589 HD1 HIS 73 HD1 HIS 73 -0.404 -8.986 -3.631 590 HD2 HIS 73 HD2 HIS 73 3.508 -9.414 -2.299 591 HE1 HIS 73 HE1 HIS 73 0.870 -9.916 -5.578 592 HE2 HIS 73 HE2 HIS 73 3.173 -10.347 -4.685 593 H LYS 74 H LYS 74 1.864 -6.235 0.713 594 HA LYS 74 HA LYS 74 -0.273 -5.880 2.665 595 HB2 LYS 74 HB3 LYS 74 2.726 -5.341 2.821 596 HB3 LYS 74 HB2 LYS 74 1.617 -5.197 4.184 597 HG2 LYS 74 HG3 LYS 74 1.149 -7.605 4.081 598 HG3 LYS 74 HG2 LYS 74 2.194 -7.761 2.666 599 HD2 LYS 74 HD3 LYS 74 3.388 -8.499 4.684 600 HD3 LYS 74 HD2 LYS 74 4.148 -7.051 4.021 601 HE2 LYS 74 HE3 LYS 74 4.019 -6.892 6.462 602 HE3 LYS 74 HE2 LYS 74 2.973 -5.672 5.733 603 HZ1 LYS 74 HZ1 LYS 74 2.088 -8.280 6.841 604 HZ2 LYS 74 HZ2 LYS 74 1.076 -7.118 6.148 605 HZ3 LYS 74 HZ3 LYS 74 1.898 -6.775 7.583 606 H GLY 75 H GLY 75 2.157 -3.778 1.113 607 HA2 GLY 75 HA3 GLY 75 1.662 -1.403 2.476 608 HA3 GLY 75 HA2 GLY 75 2.502 -1.539 0.945 609 H TYR 76 H TYR 76 0.228 -2.541 -0.562 610 HA TYR 76 HA TYR 76 -1.097 -0.181 -1.366 611 HB2 TYR 76 HB2 TYR 76 -0.819 -2.101 -2.839 612 HB3 TYR 76 HB1 TYR 76 -1.798 -3.111 -1.790 613 HD1 TYR 76 HD1 TYR 76 -4.182 -3.188 -2.064 614 HD2 TYR 76 HD2 TYR 76 -1.913 -0.217 -4.133 615 HE1 TYR 76 HE1 TYR 76 -6.143 -2.662 -3.438 616 HE2 TYR 76 HE2 TYR 76 -3.878 0.312 -5.511 617 HH TYR 76 HH TYR 76 -5.980 -0.771 -6.249 618 H VAL 77 H VAL 77 -2.436 -2.973 0.422 619 HA VAL 77 HA VAL 77 -4.991 -1.930 0.984 620 HB VAL 77 HB VAL 77 -3.433 -3.978 2.635 621 HG11 VAL 77 HG11 VAL 77 -6.440 -3.555 2.397 622 HG12 VAL 77 HG12 VAL 77 -5.447 -3.182 3.807 623 HG13 VAL 77 HG13 VAL 77 -5.655 -4.857 3.297 624 HG21 VAL 77 HG21 VAL 77 -5.225 -4.453 0.220 625 HG22 VAL 77 HG22 VAL 77 -4.492 -5.712 1.217 626 HG23 VAL 77 HG23 VAL 77 -3.469 -4.636 0.263 627 H ALA 78 H ALA 78 -2.045 -2.015 2.965 628 HA ALA 78 HA ALA 78 -2.848 -0.733 5.302 629 HB1 ALA 78 HB1 ALA 78 -0.125 -0.574 3.959 630 HB2 ALA 78 HB2 ALA 78 -0.676 -1.875 5.011 631 HB3 ALA 78 HB3 ALA 78 -0.469 -0.251 5.665 632 H PHE 79 H PHE 79 -1.409 0.729 2.369 633 HA PHE 79 HA PHE 79 -1.315 3.390 3.363 634 HB2 PHE 79 HB2 PHE 79 0.101 2.442 1.481 635 HB3 PHE 79 HB1 PHE 79 -1.310 2.543 0.437 636 HD1 PHE 79 HD1 PHE 79 -1.070 4.328 -1.093 637 HD2 PHE 79 HD2 PHE 79 0.292 4.858 2.928 638 HE1 PHE 79 HE1 PHE 79 -0.393 6.639 -1.619 639 HE2 PHE 79 HE2 PHE 79 0.959 7.152 2.404 640 HZ PHE 79 HZ PHE 79 0.623 8.057 0.129 641 H LEU 80 H LEU 80 -3.698 1.657 1.342 642 HA LEU 80 HA LEU 80 -5.400 3.863 0.809 643 HB2 LEU 80 HB3 LEU 80 -6.053 0.901 0.951 644 HB3 LEU 80 HB2 LEU 80 -7.179 2.127 0.386 645 HG LEU 80 HG LEU 80 -4.607 1.221 -0.956 646 HD11 LEU 80 HD11 LEU 80 -6.097 0.648 -2.824 647 HD12 LEU 80 HD12 LEU 80 -7.493 1.192 -1.890 648 HD13 LEU 80 HD13 LEU 80 -6.550 -0.198 -1.344 649 HD21 LEU 80 HD21 LEU 80 -4.669 3.662 -1.149 650 HD22 LEU 80 HD22 LEU 80 -6.322 3.600 -1.764 651 HD23 LEU 80 HD23 LEU 80 -4.999 2.913 -2.710 652 H GLU 81 H GLU 81 -5.551 1.397 3.419 653 HA GLU 81 HA GLU 81 -7.807 2.519 4.780 654 HB2 GLU 81 HB3 GLU 81 -5.592 0.698 5.800 655 HB3 GLU 81 HB2 GLU 81 -7.055 1.085 6.706 656 HG2 GLU 81 HG3 GLU 81 -8.417 0.049 4.923 657 HG3 GLU 81 HG2 GLU 81 -6.944 -0.364 4.046 658 H SER 82 H SER 82 -4.374 3.184 4.893 659 HA SER 82 HA SER 82 -4.243 4.721 7.281 660 HB2 SER 82 HB3 SER 82 -2.259 3.765 6.046 661 HB3 SER 82 HB2 SER 82 -2.483 4.993 4.802 662 HG SER 82 HG SER 82 -0.928 5.451 6.532 663 H LEU 83 H LEU 83 -4.501 5.681 3.850 664 HA LEU 83 HA LEU 83 -4.910 8.458 4.313 665 HB2 LEU 83 HB3 LEU 83 -5.608 6.793 1.867 666 HB3 LEU 83 HB2 LEU 83 -5.585 8.552 1.923 667 HG LEU 83 HG LEU 83 -3.194 6.689 2.170 668 HD11 LEU 83 HD11 LEU 83 -3.963 6.946 -0.117 669 HD12 LEU 83 HD12 LEU 83 -2.424 7.779 0.101 670 HD13 LEU 83 HD13 LEU 83 -3.924 8.707 0.031 671 HD21 LEU 83 HD21 LEU 83 -1.781 8.699 2.330 672 HD22 LEU 83 HD22 LEU 83 -2.858 8.551 3.714 673 HD23 LEU 83 HD23 LEU 83 -3.221 9.716 2.437 674 H GLU 84 H GLU 84 -7.121 5.711 4.099 675 HA GLU 84 HA GLU 84 -9.580 7.046 3.852 676 HB2 GLU 84 HB3 GLU 84 -9.276 4.580 3.684 677 HB3 GLU 84 HB2 GLU 84 -8.966 4.502 5.415 678 HG2 GLU 84 HG3 GLU 84 -11.275 5.300 5.847 679 HG3 GLU 84 HG2 GLU 84 -11.574 5.340 4.108 680 H LEU 85 H LEU 85 -7.479 6.662 6.644 681 HA LEU 85 HA LEU 85 -9.422 7.778 8.537 682 HB2 LEU 85 HB3 LEU 85 -6.578 6.782 8.937 683 HB3 LEU 85 HB2 LEU 85 -7.651 7.306 10.231 684 HG LEU 85 HG LEU 85 -8.163 4.916 8.410 685 HD11 LEU 85 HD11 LEU 85 -7.187 4.945 11.282 686 HD12 LEU 85 HD12 LEU 85 -6.252 4.485 9.857 687 HD13 LEU 85 HD13 LEU 85 -7.631 3.510 10.352 688 HD21 LEU 85 HD21 LEU 85 -9.986 4.358 9.981 689 HD22 LEU 85 HD22 LEU 85 -10.256 5.913 9.204 690 HD23 LEU 85 HD23 LEU 85 -9.687 5.851 10.875 691 H TYR 86 H TYR 86 -6.157 8.587 7.286 692 HA TYR 86 HA TYR 86 -5.986 11.018 8.852 693 HB2 TYR 86 HB2 TYR 86 -4.102 9.675 6.888 694 HB3 TYR 86 HB1 TYR 86 -3.741 11.248 7.593 695 HD1 TYR 86 HD1 TYR 86 -2.715 11.382 9.739 696 HD2 TYR 86 HD2 TYR 86 -4.475 7.675 8.542 697 HE1 TYR 86 HE1 TYR 86 -1.727 10.273 11.692 698 HE2 TYR 86 HE2 TYR 86 -3.477 6.570 10.497 699 HH TYR 86 HH TYR 86 -1.620 6.887 12.044 700 H TYR 87 H TYR 87 -6.369 10.296 5.365 701 HA TYR 87 HA TYR 87 -7.186 13.115 4.862 702 HB2 TYR 87 HB2 TYR 87 -5.380 11.425 3.052 703 HB3 TYR 87 HB1 TYR 87 -6.003 13.017 2.649 704 HD1 TYR 87 HD1 TYR 87 -3.208 11.283 4.029 705 HD2 TYR 87 HD2 TYR 87 -5.379 14.959 4.330 706 HE1 TYR 87 HE1 TYR 87 -1.244 12.365 5.055 707 HE2 TYR 87 HE2 TYR 87 -3.415 16.027 5.343 708 HH TYR 87 HH TYR 87 -0.369 14.829 5.232 709 HA PRO 88 HA PRO 88 -10.082 9.471 3.666 710 HB2 PRO 88 HB3 PRO 88 -12.484 10.644 4.499 711 HB3 PRO 88 HB2 PRO 88 -11.444 9.630 5.507 712 HG2 PRO 88 HG3 PRO 88 -11.590 12.636 5.349 713 HG3 PRO 88 HG2 PRO 88 -11.462 11.595 6.783 714 HD2 PRO 88 HD3 PRO 88 -9.318 12.889 5.808 715 HD3 PRO 88 HD2 PRO 88 -9.162 11.251 6.479 716 H GLN 89 H GLN 89 -10.957 12.902 3.087 717 HA GLN 89 HA GLN 89 -12.586 12.455 0.795 718 HB2 GLN 89 HB3 GLN 89 -11.151 14.972 1.736 719 HB3 GLN 89 HB2 GLN 89 -12.332 14.938 0.428 720 HG2 GLN 89 HG3 GLN 89 -12.874 14.233 3.331 721 HG3 GLN 89 HG2 GLN 89 -13.328 15.735 2.527 722 HE21 GLN 89 HE21 GLN 89 -15.040 13.762 3.853 723 HE22 GLN 89 HE22 GLN 89 -16.174 13.232 2.664 724 H LEU 90 H LEU 90 -9.127 13.171 1.175 725 HA LEU 90 HA LEU 90 -8.487 13.506 -1.576 726 HB2 LEU 90 HB3 LEU 90 -6.995 14.213 0.308 727 HB3 LEU 90 HB2 LEU 90 -6.675 12.521 0.658 728 HG LEU 90 HG LEU 90 -5.657 12.272 -1.631 729 HD11 LEU 90 HD11 LEU 90 -5.083 14.253 -2.940 730 HD12 LEU 90 HD12 LEU 90 -5.970 15.283 -1.816 731 HD13 LEU 90 HD13 LEU 90 -6.829 14.082 -2.785 732 HD21 LEU 90 HD21 LEU 90 -4.220 12.644 0.318 733 HD22 LEU 90 HD22 LEU 90 -4.357 14.391 0.105 734 HD23 LEU 90 HD23 LEU 90 -3.549 13.412 -1.121 735 H TYR 91 H TYR 91 -8.251 10.696 0.589 736 HA TYR 91 HA TYR 91 -7.438 8.668 -1.116 737 HB2 TYR 91 HB2 TYR 91 -7.575 8.204 1.227 738 HB3 TYR 91 HB1 TYR 91 -9.257 8.704 1.320 739 HD1 TYR 91 HD1 TYR 91 -10.919 7.012 1.402 740 HD2 TYR 91 HD2 TYR 91 -7.118 6.079 -0.328 741 HE1 TYR 91 HE1 TYR 91 -11.615 4.665 1.129 742 HE2 TYR 91 HE2 TYR 91 -7.827 3.746 -0.597 743 HH TYR 91 HH TYR 91 -9.466 2.181 0.491 744 H LYS 92 H LYS 92 -10.748 9.746 -0.405 745 HA LYS 92 HA LYS 92 -12.197 8.038 -2.085 746 HB2 LYS 92 HB3 LYS 92 -13.217 9.357 -0.277 747 HB3 LYS 92 HB2 LYS 92 -12.837 10.855 -1.121 748 HG2 LYS 92 HG3 LYS 92 -14.396 10.220 -2.937 749 HG3 LYS 92 HG2 LYS 92 -14.773 8.723 -2.079 750 HD2 LYS 92 HD3 LYS 92 -15.733 10.009 -0.213 751 HD3 LYS 92 HD2 LYS 92 -15.290 11.527 -1.000 752 HE2 LYS 92 HE3 LYS 92 -16.836 11.041 -2.844 753 HE3 LYS 92 HE2 LYS 92 -17.235 9.479 -2.127 754 HZ1 LYS 92 HZ1 LYS 92 -18.898 11.183 -1.661 755 HZ2 LYS 92 HZ2 LYS 92 -17.737 12.105 -0.856 756 HZ3 LYS 92 HZ3 LYS 92 -18.183 10.600 -0.246 757 H LYS 93 H LYS 93 -10.761 11.239 -2.748 758 HA LYS 93 HA LYS 93 -11.930 11.578 -5.338 759 HB2 LYS 93 HB3 LYS 93 -11.154 13.430 -3.805 760 HB3 LYS 93 HB2 LYS 93 -9.494 13.002 -4.205 761 HG2 LYS 93 HG3 LYS 93 -9.913 13.556 -6.578 762 HG3 LYS 93 HG2 LYS 93 -11.592 13.948 -6.194 763 HD2 LYS 93 HD3 LYS 93 -9.140 15.392 -5.103 764 HD3 LYS 93 HD2 LYS 93 -10.182 15.981 -6.403 765 HE2 LYS 93 HE3 LYS 93 -12.074 16.146 -4.852 766 HE3 LYS 93 HE2 LYS 93 -11.101 15.462 -3.547 767 HZ1 LYS 93 HZ1 LYS 93 -9.643 17.383 -3.681 768 HZ2 LYS 93 HZ2 LYS 93 -11.239 17.857 -3.381 769 HZ3 LYS 93 HZ3 LYS 93 -10.581 18.038 -4.929 770 H VAL 94 H VAL 94 -8.595 10.626 -4.341 771 HA VAL 94 HA VAL 94 -7.526 10.503 -6.973 772 HB VAL 94 HB VAL 94 -5.561 9.347 -6.001 773 HG11 VAL 94 HG11 VAL 94 -6.510 11.703 -4.324 774 HG12 VAL 94 HG12 VAL 94 -5.683 11.800 -5.881 775 HG13 VAL 94 HG13 VAL 94 -4.838 11.151 -4.474 776 HG21 VAL 94 HG21 VAL 94 -7.137 9.291 -3.386 777 HG22 VAL 94 HG22 VAL 94 -5.439 8.843 -3.571 778 HG23 VAL 94 HG23 VAL 94 -6.692 7.884 -4.358 779 H THR 95 H THR 95 -9.352 8.155 -5.144 780 HA THR 95 HA THR 95 -8.853 6.026 -7.147 781 HB THR 95 HB THR 95 -10.074 4.503 -5.623 782 HG1 THR 95 HG1 THR 95 -10.180 6.416 -3.573 783 HG21 THR 95 HG21 THR 95 -7.950 6.106 -4.147 784 HG22 THR 95 HG22 THR 95 -7.644 4.763 -5.253 785 HG23 THR 95 HG23 THR 95 -8.487 4.479 -3.729 786 H GLY 96 H GLY 96 -11.021 8.562 -6.619 787 HA2 GLY 96 HA3 GLY 96 -13.293 7.216 -8.012 788 HA3 GLY 96 HA2 GLY 96 -13.462 8.545 -6.879 789 H LYS 97 H LYS 97 -12.424 10.646 -7.548 790 HA LYS 97 HA LYS 97 -13.063 11.207 -10.373 791 HB2 LYS 97 HB3 LYS 97 -12.764 13.061 -7.973 792 HB3 LYS 97 HB2 LYS 97 -13.130 13.599 -9.611 793 HG2 LYS 97 HG3 LYS 97 -15.246 12.275 -9.539 794 HG3 LYS 97 HG2 LYS 97 -14.871 11.810 -7.878 795 HD2 LYS 97 HD3 LYS 97 -16.481 13.662 -7.905 796 HD3 LYS 97 HD2 LYS 97 -14.955 14.182 -7.186 797 HE2 LYS 97 HE3 LYS 97 -14.322 15.261 -9.333 798 HE3 LYS 97 HE2 LYS 97 -15.855 14.747 -10.039 799 HZ1 LYS 97 HZ1 LYS 97 -15.967 17.025 -9.325 800 HZ2 LYS 97 HZ2 LYS 97 -15.515 16.602 -7.751 801 HZ3 LYS 97 HZ3 LYS 97 -16.998 16.081 -8.368 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -14.122 -4.419 -19.308 2 H2 MET 1 HT2 MET 1 -13.763 -2.992 -18.475 3 H3 MET 1 HT3 MET 1 -15.361 -3.535 -18.569 4 HA MET 1 HA MET 1 -14.385 -3.946 -16.402 5 HB2 MET 1 HB2 MET 1 -15.011 -6.451 -18.030 6 HB3 MET 1 HB1 MET 1 -14.952 -6.400 -16.272 7 HG2 MET 1 HG2 MET 1 -16.825 -4.829 -16.230 8 HG3 MET 1 HG1 MET 1 -16.872 -4.813 -17.995 9 HE1 MET 1 HE1 MET 1 -19.487 -5.400 -17.889 10 HE2 MET 1 HE2 MET 1 -19.445 -5.465 -16.126 11 HE3 MET 1 HE3 MET 1 -20.136 -6.804 -17.042 12 H SER 2 H SER 2 -12.249 -3.476 -15.993 13 HA SER 2 HA SER 2 -10.188 -5.499 -16.718 14 HB2 SER 2 HB3 SER 2 -9.728 -3.272 -17.730 15 HB3 SER 2 HB2 SER 2 -9.768 -2.533 -16.130 16 HG SER 2 HG SER 2 -7.638 -2.949 -16.643 17 H ASP 3 H ASP 3 -9.141 -6.505 -15.070 18 HA ASP 3 HA ASP 3 -10.011 -5.904 -12.316 19 HB2 ASP 3 HB3 ASP 3 -10.373 -8.208 -13.291 20 HB3 ASP 3 HB2 ASP 3 -8.628 -8.409 -13.380 21 H TYR 4 H TYR 4 -8.610 -5.288 -10.730 22 HA TYR 4 HA TYR 4 -5.806 -4.693 -11.439 23 HB2 TYR 4 HB2 TYR 4 -7.631 -3.632 -9.245 24 HB3 TYR 4 HB1 TYR 4 -5.925 -3.222 -9.362 25 HD1 TYR 4 HD1 TYR 4 -9.267 -2.558 -10.726 26 HD2 TYR 4 HD2 TYR 4 -5.085 -1.876 -11.301 27 HE1 TYR 4 HE1 TYR 4 -9.779 -0.714 -12.279 28 HE2 TYR 4 HE2 TYR 4 -5.596 -0.035 -12.845 29 HH TYR 4 HH TYR 4 -7.398 0.747 -14.271 30 H GLU 5 H GLU 5 -6.169 -7.328 -11.048 31 HA GLU 5 HA GLU 5 -5.527 -8.408 -8.533 32 HB2 GLU 5 HB3 GLU 5 -4.555 -10.319 -9.909 33 HB3 GLU 5 HB2 GLU 5 -6.215 -9.877 -10.295 34 HG2 GLU 5 HG3 GLU 5 -5.370 -8.548 -12.236 35 HG3 GLU 5 HG2 GLU 5 -3.740 -9.121 -11.880 36 H ASN 6 H ASN 6 -3.422 -7.018 -11.033 37 HA ASN 6 HA ASN 6 -0.956 -7.569 -9.610 38 HB2 ASN 6 HB3 ASN 6 -0.948 -7.475 -12.072 39 HB3 ASN 6 HB2 ASN 6 -1.520 -5.807 -12.035 40 HD21 ASN 6 HD21 ASN 6 0.272 -5.030 -13.154 41 HD22 ASN 6 HD22 ASN 6 1.851 -4.962 -12.459 42 H ASP 7 H ASP 7 -0.436 -6.477 -7.834 43 HA ASP 7 HA ASP 7 -1.562 -4.036 -6.952 44 HB2 ASP 7 HB3 ASP 7 0.270 -4.151 -5.190 45 HB3 ASP 7 HB2 ASP 7 -0.772 -5.562 -5.305 46 H ASP 8 H ASP 8 1.293 -4.669 -8.924 47 HA ASP 8 HA ASP 8 2.418 -2.056 -8.845 48 HB2 ASP 8 HB3 ASP 8 3.706 -3.931 -9.753 49 HB3 ASP 8 HB2 ASP 8 2.532 -4.171 -11.039 50 H GLU 9 H GLU 9 0.040 -3.533 -11.086 51 HA GLU 9 HA GLU 9 -0.496 -1.305 -12.719 52 HB2 GLU 9 HB3 GLU 9 -1.263 -3.655 -13.158 53 HB3 GLU 9 HB2 GLU 9 -2.443 -3.495 -11.867 54 HG2 GLU 9 HG3 GLU 9 -3.586 -3.209 -13.953 55 HG3 GLU 9 HG2 GLU 9 -3.533 -1.641 -13.150 56 H CYS 10 H CYS 10 -1.869 -2.281 -9.620 57 HA CYS 10 HA CYS 10 -3.819 -0.287 -9.244 58 HB2 CYS 10 HB3 CYS 10 -2.157 -1.825 -7.215 59 HB3 CYS 10 HB2 CYS 10 -3.593 -0.887 -6.825 60 HG CYS 10 HG CYS 10 -3.353 -3.978 -7.946 61 H TRP 11 H TRP 11 -0.384 -0.364 -8.201 62 HA TRP 11 HA TRP 11 -0.296 2.256 -7.098 63 HB2 TRP 11 HB2 TRP 11 1.790 0.236 -7.912 64 HB3 TRP 11 HB1 TRP 11 2.315 1.887 -7.609 65 HD1 TRP 11 HD1 TRP 11 1.666 -1.295 -5.782 66 HE1 TRP 11 HE1 TRP 11 1.771 -0.878 -3.245 67 HE3 TRP 11 HE3 TRP 11 1.506 3.827 -5.773 68 HZ2 TRP 11 HZ2 TRP 11 1.759 1.313 -1.480 69 HZ3 TRP 11 HZ3 TRP 11 1.546 5.003 -3.612 70 HH2 TRP 11 HH2 TRP 11 1.670 3.768 -1.507 71 H SER 12 H SER 12 0.029 1.098 -10.391 72 HA SER 12 HA SER 12 1.286 3.358 -11.571 73 HB2 SER 12 HB3 SER 12 -0.631 1.372 -12.868 74 HB3 SER 12 HB2 SER 12 0.458 2.457 -13.725 75 HG SER 12 HG SER 12 0.996 0.050 -13.028 76 H VAL 13 H VAL 13 -2.084 2.628 -10.801 77 HA VAL 13 HA VAL 13 -3.342 4.826 -12.070 78 HB VAL 13 HB VAL 13 -4.190 3.422 -9.493 79 HG11 VAL 13 HG11 VAL 13 -5.833 5.123 -11.409 80 HG12 VAL 13 HG12 VAL 13 -5.372 5.549 -9.760 81 HG13 VAL 13 HG13 VAL 13 -6.483 4.210 -10.044 82 HG21 VAL 13 HG21 VAL 13 -4.976 2.792 -12.368 83 HG22 VAL 13 HG22 VAL 13 -5.648 2.024 -10.927 84 HG23 VAL 13 HG23 VAL 13 -3.946 1.804 -11.326 85 H LEU 14 H LEU 14 -2.218 4.461 -8.659 86 HA LEU 14 HA LEU 14 -2.673 7.154 -7.880 87 HB2 LEU 14 HB3 LEU 14 -0.888 5.019 -6.678 88 HB3 LEU 14 HB2 LEU 14 -1.075 6.607 -5.953 89 HG LEU 14 HG LEU 14 -3.216 4.471 -6.263 90 HD11 LEU 14 HD11 LEU 14 -1.685 4.114 -4.390 91 HD12 LEU 14 HD12 LEU 14 -3.298 4.524 -3.814 92 HD13 LEU 14 HD13 LEU 14 -2.017 5.739 -3.780 93 HD21 LEU 14 HD21 LEU 14 -4.791 6.030 -5.166 94 HD22 LEU 14 HD22 LEU 14 -4.273 6.624 -6.739 95 HD23 LEU 14 HD23 LEU 14 -3.590 7.321 -5.267 96 H GLU 15 H GLU 15 0.020 5.692 -9.564 97 HA GLU 15 HA GLU 15 1.969 7.732 -9.249 98 HB2 GLU 15 HB3 GLU 15 2.199 5.318 -10.230 99 HB3 GLU 15 HB2 GLU 15 1.688 6.017 -11.754 100 HG2 GLU 15 HG3 GLU 15 4.140 6.920 -10.203 101 HG3 GLU 15 HG2 GLU 15 4.179 5.689 -11.457 102 H GLY 16 H GLY 16 -0.773 7.355 -11.463 103 HA2 GLY 16 HA3 GLY 16 -0.431 9.684 -13.059 104 HA3 GLY 16 HA2 GLY 16 -1.947 8.861 -12.744 105 H PHE 17 H PHE 17 -1.289 9.357 -9.725 106 HA PHE 17 HA PHE 17 -2.152 12.197 -9.555 107 HB2 PHE 17 HB2 PHE 17 -2.661 9.888 -7.616 108 HB3 PHE 17 HB1 PHE 17 -3.174 11.553 -7.358 109 HD1 PHE 17 HD1 PHE 17 -3.820 8.457 -9.247 110 HD2 PHE 17 HD2 PHE 17 -5.054 12.503 -8.629 111 HE1 PHE 17 HE1 PHE 17 -5.910 8.009 -10.467 112 HE2 PHE 17 HE2 PHE 17 -7.141 12.044 -9.843 113 HZ PHE 17 HZ PHE 17 -7.572 9.804 -10.766 114 H ARG 18 H ARG 18 0.643 10.790 -9.575 115 HA ARG 18 HA ARG 18 1.894 10.519 -7.160 116 HB2 ARG 18 HB3 ARG 18 2.827 10.018 -9.422 117 HB3 ARG 18 HB2 ARG 18 3.159 11.727 -9.640 118 HG2 ARG 18 HG3 ARG 18 4.727 11.622 -7.696 119 HG3 ARG 18 HG2 ARG 18 4.414 9.886 -7.586 120 HD2 ARG 18 HD3 ARG 18 5.154 9.796 -10.067 121 HD3 ARG 18 HD2 ARG 18 5.815 11.408 -9.789 122 HE ARG 18 HE ARG 18 7.024 10.180 -7.849 123 HH11 ARG 18 HH11 ARG 18 6.389 8.816 -10.971 124 HH12 ARG 18 HH12 ARG 18 7.797 7.815 -10.926 125 HH21 ARG 18 HH21 ARG 18 8.819 8.891 -7.824 126 HH22 ARG 18 HH22 ARG 18 9.154 7.857 -9.164 127 H VAL 19 H VAL 19 2.054 13.592 -9.054 128 HA VAL 19 HA VAL 19 3.531 14.953 -7.013 129 HB VAL 19 HB VAL 19 3.324 16.989 -8.394 130 HG11 VAL 19 HG11 VAL 19 4.018 14.511 -10.016 131 HG12 VAL 19 HG12 VAL 19 5.095 15.363 -8.909 132 HG13 VAL 19 HG13 VAL 19 4.538 16.160 -10.381 133 HG21 VAL 19 HG21 VAL 19 1.009 16.699 -9.217 134 HG22 VAL 19 HG22 VAL 19 1.525 15.342 -10.219 135 HG23 VAL 19 HG23 VAL 19 2.126 16.967 -10.556 136 H THR 20 H THR 20 0.118 14.542 -7.487 137 HA THR 20 HA THR 20 -0.716 16.659 -5.690 138 HB THR 20 HB THR 20 -2.190 14.180 -6.687 139 HG1 THR 20 HG1 THR 20 -1.778 15.795 -8.267 140 HG21 THR 20 HG21 THR 20 -4.278 15.249 -5.863 141 HG22 THR 20 HG22 THR 20 -3.321 16.506 -5.079 142 HG23 THR 20 HG23 THR 20 -3.192 14.830 -4.538 143 H LEU 21 H LEU 21 -0.193 13.127 -5.398 144 HA LEU 21 HA LEU 21 -0.899 12.827 -2.671 145 HB2 LEU 21 HB3 LEU 21 1.041 11.144 -4.305 146 HB3 LEU 21 HB2 LEU 21 0.333 10.670 -2.769 147 HG LEU 21 HG LEU 21 -1.131 11.010 -5.417 148 HD11 LEU 21 HD11 LEU 21 -1.561 8.601 -5.247 149 HD12 LEU 21 HD12 LEU 21 -0.626 8.527 -3.751 150 HD13 LEU 21 HD13 LEU 21 0.169 8.945 -5.271 151 HD21 LEU 21 HD21 LEU 21 -2.324 10.299 -2.718 152 HD22 LEU 21 HD22 LEU 21 -3.173 10.270 -4.266 153 HD23 LEU 21 HD23 LEU 21 -2.588 11.797 -3.613 154 H THR 22 H THR 22 2.226 13.494 -4.233 155 HA THR 22 HA THR 22 3.828 13.348 -1.872 156 HB THR 22 HB THR 22 5.645 14.342 -3.243 157 HG1 THR 22 HG1 THR 22 5.212 14.939 -5.393 158 HG21 THR 22 HG21 THR 22 5.233 11.914 -3.440 159 HG22 THR 22 HG22 THR 22 5.781 12.586 -4.977 160 HG23 THR 22 HG23 THR 22 4.075 12.207 -4.742 161 H SER 23 H SER 23 2.019 15.911 -3.389 162 HA SER 23 HA SER 23 3.222 18.099 -1.940 163 HB2 SER 23 HB3 SER 23 2.174 18.454 -4.154 164 HB3 SER 23 HB2 SER 23 0.606 17.982 -3.501 165 HG SER 23 HG SER 23 0.378 19.924 -2.723 166 H VAL 24 H VAL 24 0.059 16.391 -1.694 167 HA VAL 24 HA VAL 24 -0.762 18.030 0.582 168 HB VAL 24 HB VAL 24 -2.268 15.716 -0.706 169 HG11 VAL 24 HG11 VAL 24 -3.137 16.273 1.528 170 HG12 VAL 24 HG12 VAL 24 -4.297 16.750 0.288 171 HG13 VAL 24 HG13 VAL 24 -3.289 17.971 1.069 172 HG21 VAL 24 HG21 VAL 24 -2.458 18.684 -1.362 173 HG22 VAL 24 HG22 VAL 24 -3.503 17.421 -2.019 174 HG23 VAL 24 HG23 VAL 24 -1.781 17.430 -2.404 175 H ILE 25 H ILE 25 0.088 14.605 0.031 176 HA ILE 25 HA ILE 25 -0.342 13.868 2.850 177 HB ILE 25 HB ILE 25 0.717 12.149 0.560 178 HG12 ILE 25 HG12 ILE 25 -2.154 12.185 1.565 179 HG13 ILE 25 HG11 ILE 25 -1.614 13.141 0.188 180 HG21 ILE 25 HG21 ILE 25 -0.438 11.277 3.236 181 HG22 ILE 25 HG22 ILE 25 1.257 11.178 2.756 182 HG23 ILE 25 HG23 ILE 25 0.048 10.197 1.925 183 HD11 ILE 25 HD11 ILE 25 -1.468 10.138 0.377 184 HD12 ILE 25 HD12 ILE 25 -1.009 11.132 -1.009 185 HD13 ILE 25 HD13 ILE 25 -2.690 11.071 -0.484 186 H ASP 26 H ASP 26 1.342 13.147 4.226 187 HA ASP 26 HA ASP 26 4.121 13.184 3.258 188 HB2 ASP 26 HB3 ASP 26 4.895 14.396 5.218 189 HB3 ASP 26 HB2 ASP 26 3.674 15.356 4.400 190 HA PRO 27 HA PRO 27 4.200 9.229 5.345 191 HB2 PRO 27 HB3 PRO 27 6.896 8.865 5.677 192 HB3 PRO 27 HB2 PRO 27 6.092 8.772 4.108 193 HG2 PRO 27 HG3 PRO 27 7.611 11.080 5.313 194 HG3 PRO 27 HG2 PRO 27 7.703 10.421 3.665 195 HD2 PRO 27 HD3 PRO 27 6.259 12.642 4.277 196 HD3 PRO 27 HD2 PRO 27 5.771 11.516 2.990 197 H SER 28 H SER 28 5.847 11.959 6.926 198 HA SER 28 HA SER 28 6.451 10.654 9.380 199 HB2 SER 28 HB3 SER 28 6.787 12.992 10.282 200 HB3 SER 28 HB2 SER 28 7.690 12.637 8.813 201 HG SER 28 HG SER 28 5.172 13.945 8.769 202 H ARG 29 H ARG 29 3.538 12.215 8.217 203 HA ARG 29 HA ARG 29 2.121 12.387 10.687 204 HB2 ARG 29 HB3 ARG 29 1.508 13.527 8.488 205 HB3 ARG 29 HB2 ARG 29 0.938 11.971 7.901 206 HG2 ARG 29 HG3 ARG 29 -0.952 13.289 8.630 207 HG3 ARG 29 HG2 ARG 29 -0.754 11.932 9.746 208 HD2 ARG 29 HD3 ARG 29 0.435 13.472 11.330 209 HD3 ARG 29 HD2 ARG 29 0.118 14.810 10.218 210 HE ARG 29 HE ARG 29 -2.144 13.270 11.305 211 HH11 ARG 29 HH11 ARG 29 -0.441 16.289 11.207 212 HH12 ARG 29 HH12 ARG 29 -1.708 17.133 12.022 213 HH21 ARG 29 HH21 ARG 29 -3.730 14.384 12.334 214 HH22 ARG 29 HH22 ARG 29 -3.533 16.067 12.654 215 H ILE 30 H ILE 30 2.359 9.864 8.199 216 HA ILE 30 HA ILE 30 0.582 8.045 9.701 217 HB ILE 30 HB ILE 30 0.447 6.732 7.565 218 HG12 ILE 30 HG12 ILE 30 2.046 9.048 6.360 219 HG13 ILE 30 HG11 ILE 30 2.641 7.405 6.574 220 HG21 ILE 30 HG21 ILE 30 -0.348 9.654 7.286 221 HG22 ILE 30 HG22 ILE 30 -1.276 8.395 8.102 222 HG23 ILE 30 HG23 ILE 30 -1.015 8.302 6.362 223 HD11 ILE 30 HD11 ILE 30 0.394 8.265 4.758 224 HD12 ILE 30 HD12 ILE 30 0.949 6.604 4.988 225 HD13 ILE 30 HD13 ILE 30 2.028 7.806 4.281 226 H THR 31 H THR 31 3.831 8.510 9.775 227 HA THR 31 HA THR 31 5.001 6.018 9.256 228 HB THR 31 HB THR 31 6.640 6.751 11.293 229 HG1 THR 31 HG1 THR 31 5.588 9.258 10.514 230 HG21 THR 31 HG21 THR 31 7.330 6.607 8.919 231 HG22 THR 31 HG22 THR 31 8.011 8.022 9.724 232 HG23 THR 31 HG23 THR 31 6.637 8.205 8.628 233 HA PRO 32 HA PRO 32 4.007 4.562 13.910 234 HB2 PRO 32 HB3 PRO 32 1.556 5.586 14.827 235 HB3 PRO 32 HB2 PRO 32 3.151 6.134 15.355 236 HG2 PRO 32 HG3 PRO 32 1.328 7.331 13.281 237 HG3 PRO 32 HG2 PRO 32 2.331 8.141 14.501 238 HD2 PRO 32 HD3 PRO 32 3.100 8.042 11.944 239 HD3 PRO 32 HD2 PRO 32 4.286 7.900 13.260 240 H TYR 33 H TYR 33 1.405 5.435 11.629 241 HA TYR 33 HA TYR 33 -0.177 3.097 11.897 242 HB2 TYR 33 HB2 TYR 33 -0.965 5.257 10.857 243 HB3 TYR 33 HB1 TYR 33 0.062 4.932 9.464 244 HD1 TYR 33 HD1 TYR 33 -0.465 2.938 7.966 245 HD2 TYR 33 HD2 TYR 33 -3.113 4.179 11.083 246 HE1 TYR 33 HE1 TYR 33 -2.252 1.554 7.002 247 HE2 TYR 33 HE2 TYR 33 -4.902 2.804 10.100 248 HH TYR 33 HH TYR 33 -5.508 1.770 8.031 249 H LEU 34 H LEU 34 2.339 3.992 9.522 250 HA LEU 34 HA LEU 34 2.193 1.722 7.857 251 HB2 LEU 34 HB3 LEU 34 4.500 3.645 8.326 252 HB3 LEU 34 HB2 LEU 34 4.454 2.468 7.027 253 HG LEU 34 HG LEU 34 2.541 4.819 7.326 254 HD11 LEU 34 HD11 LEU 34 4.796 5.581 6.795 255 HD12 LEU 34 HD12 LEU 34 3.726 5.808 5.416 256 HD13 LEU 34 HD13 LEU 34 4.879 4.470 5.424 257 HD21 LEU 34 HD21 LEU 34 2.794 2.814 5.054 258 HD22 LEU 34 HD22 LEU 34 1.792 4.271 5.030 259 HD23 LEU 34 HD23 LEU 34 1.435 2.973 6.171 260 H ARG 35 H ARG 35 4.304 2.463 10.656 261 HA ARG 35 HA ARG 35 5.789 0.016 10.575 262 HB2 ARG 35 HB3 ARG 35 6.767 0.639 12.662 263 HB3 ARG 35 HB2 ARG 35 6.570 2.126 11.746 264 HG2 ARG 35 HG3 ARG 35 4.661 2.773 13.082 265 HG3 ARG 35 HG2 ARG 35 4.634 1.209 13.894 266 HD2 ARG 35 HD3 ARG 35 5.598 2.760 15.414 267 HD3 ARG 35 HD2 ARG 35 6.915 1.747 14.812 268 HE ARG 35 HE ARG 35 6.424 4.369 13.577 269 HH11 ARG 35 HH11 ARG 35 8.539 2.305 15.374 270 HH12 ARG 35 HH12 ARG 35 9.827 3.454 15.351 271 HH21 ARG 35 HH21 ARG 35 8.085 5.807 13.597 272 HH22 ARG 35 HH22 ARG 35 9.571 5.390 14.369 273 H GLN 36 H GLN 36 2.837 1.020 12.384 274 HA GLN 36 HA GLN 36 2.579 -1.279 14.006 275 HB2 GLN 36 HB3 GLN 36 1.333 0.864 14.345 276 HB3 GLN 36 HB2 GLN 36 0.335 0.484 12.947 277 HG2 GLN 36 HG3 GLN 36 -0.486 -1.551 14.116 278 HG3 GLN 36 HG2 GLN 36 0.478 -1.115 15.526 279 HE21 GLN 36 HE21 GLN 36 -2.397 -1.470 15.312 280 HE22 GLN 36 HE22 GLN 36 -3.106 0.018 15.815 281 H CYS 37 H CYS 37 1.497 -0.659 10.706 282 HA CYS 37 HA CYS 37 0.090 -3.179 10.407 283 HB2 CYS 37 HB3 CYS 37 -0.577 -1.084 9.185 284 HB3 CYS 37 HB2 CYS 37 0.914 -1.188 8.254 285 HG CYS 37 HG CYS 37 -0.148 -4.025 7.649 286 H LYS 38 H LYS 38 3.355 -2.397 10.515 287 HA LYS 38 HA LYS 38 5.314 -3.408 10.025 288 HB2 LYS 38 HB3 LYS 38 3.597 -5.878 9.547 289 HB3 LYS 38 HB2 LYS 38 5.342 -5.888 9.782 290 HG2 LYS 38 HG3 LYS 38 3.273 -5.039 11.842 291 HG3 LYS 38 HG2 LYS 38 4.141 -6.577 11.813 292 HD2 LYS 38 HD3 LYS 38 6.283 -5.359 12.134 293 HD3 LYS 38 HD2 LYS 38 5.402 -3.830 12.186 294 HE2 LYS 38 HE3 LYS 38 4.172 -4.639 14.197 295 HE3 LYS 38 HE2 LYS 38 5.123 -6.126 14.160 296 HZ1 LYS 38 HZ1 LYS 38 6.210 -3.387 14.517 297 HZ2 LYS 38 HZ2 LYS 38 7.114 -4.813 14.500 298 HZ3 LYS 38 HZ3 LYS 38 6.001 -4.536 15.739 299 H VAL 39 H VAL 39 3.594 -2.283 7.740 300 HA VAL 39 HA VAL 39 4.560 -3.732 5.392 301 HB VAL 39 HB VAL 39 3.266 -2.131 4.051 302 HG11 VAL 39 HG11 VAL 39 1.670 -3.132 6.444 303 HG12 VAL 39 HG12 VAL 39 2.083 -4.070 5.008 304 HG13 VAL 39 HG13 VAL 39 1.002 -2.685 4.871 305 HG21 VAL 39 HG21 VAL 39 2.641 -0.686 6.666 306 HG22 VAL 39 HG22 VAL 39 1.931 -0.313 5.092 307 HG23 VAL 39 HG23 VAL 39 3.656 -0.069 5.360 308 H LEU 40 H LEU 40 5.531 -1.037 7.324 309 HA LEU 40 HA LEU 40 7.205 0.188 5.268 310 HB2 LEU 40 HB3 LEU 40 5.878 1.514 7.024 311 HB3 LEU 40 HB2 LEU 40 7.049 0.961 8.207 312 HG LEU 40 HG LEU 40 8.869 2.069 6.875 313 HD11 LEU 40 HD11 LEU 40 7.831 2.020 4.671 314 HD12 LEU 40 HD12 LEU 40 8.270 3.665 5.106 315 HD13 LEU 40 HD13 LEU 40 6.585 3.155 5.199 316 HD21 LEU 40 HD21 LEU 40 8.345 4.380 7.509 317 HD22 LEU 40 HD22 LEU 40 7.879 3.260 8.786 318 HD23 LEU 40 HD23 LEU 40 6.645 3.956 7.733 319 H ASN 41 H ASN 41 9.428 0.237 5.291 320 HA ASN 41 HA ASN 41 10.824 -1.845 6.816 321 HB2 ASN 41 HB3 ASN 41 11.838 -0.082 4.549 322 HB3 ASN 41 HB2 ASN 41 12.668 -1.480 5.225 323 HD21 ASN 41 HD21 ASN 41 10.124 -3.058 5.394 324 HD22 ASN 41 HD22 ASN 41 9.775 -3.501 3.766 325 HA PRO 42 HA PRO 42 12.598 1.009 9.875 326 HB2 PRO 42 HB3 PRO 42 15.053 -0.731 9.607 327 HB3 PRO 42 HB2 PRO 42 14.184 -0.229 11.065 328 HG2 PRO 42 HG3 PRO 42 13.885 -2.703 10.136 329 HG3 PRO 42 HG2 PRO 42 12.477 -1.807 10.750 330 HD2 PRO 42 HD3 PRO 42 13.294 -2.331 7.892 331 HD3 PRO 42 HD2 PRO 42 11.675 -2.361 8.626 332 H ASP 43 H ASP 43 14.370 0.180 6.949 333 HA ASP 43 HA ASP 43 16.325 2.185 6.850 334 HB2 ASP 43 HB3 ASP 43 14.757 0.992 4.513 335 HB3 ASP 43 HB2 ASP 43 16.319 1.805 4.403 336 H ASP 44 H ASP 44 13.037 2.201 5.427 337 HA ASP 44 HA ASP 44 13.106 4.915 4.552 338 HB2 ASP 44 HB3 ASP 44 11.637 3.151 3.541 339 HB3 ASP 44 HB2 ASP 44 10.683 3.123 5.018 340 H GLU 45 H GLU 45 11.715 3.290 7.374 341 HA GLU 45 HA GLU 45 10.343 5.323 8.650 342 HB2 GLU 45 HB3 GLU 45 10.380 2.915 9.318 343 HB3 GLU 45 HB2 GLU 45 12.015 3.121 9.936 344 HG2 GLU 45 HG3 GLU 45 11.133 4.755 11.608 345 HG3 GLU 45 HG2 GLU 45 9.501 4.434 11.022 346 H GLU 46 H GLU 46 13.777 4.414 9.116 347 HA GLU 46 HA GLU 46 14.559 6.565 10.768 348 HB2 GLU 46 HB3 GLU 46 15.918 4.544 10.583 349 HB3 GLU 46 HB2 GLU 46 16.188 4.827 8.869 350 HG2 GLU 46 HG3 GLU 46 18.165 5.355 10.288 351 HG3 GLU 46 HG2 GLU 46 17.605 6.721 9.325 352 H GLN 47 H GLN 47 14.719 6.209 7.207 353 HA GLN 47 HA GLN 47 15.960 8.561 6.410 354 HB2 GLN 47 HB3 GLN 47 15.455 6.855 4.790 355 HB3 GLN 47 HB2 GLN 47 13.737 6.931 5.144 356 HG2 GLN 47 HG3 GLN 47 13.703 9.241 4.115 357 HG3 GLN 47 HG2 GLN 47 15.378 8.973 3.622 358 HE21 GLN 47 HE21 GLN 47 12.061 7.887 3.193 359 HE22 GLN 47 HE22 GLN 47 12.311 7.069 1.700 360 H VAL 48 H VAL 48 12.506 8.080 7.048 361 HA VAL 48 HA VAL 48 11.671 10.746 6.404 362 HB VAL 48 HB VAL 48 10.229 8.462 7.821 363 HG11 VAL 48 HG11 VAL 48 9.083 11.090 6.806 364 HG12 VAL 48 HG12 VAL 48 9.185 10.570 8.488 365 HG13 VAL 48 HG13 VAL 48 8.126 9.717 7.367 366 HG21 VAL 48 HG21 VAL 48 10.057 9.454 4.941 367 HG22 VAL 48 HG22 VAL 48 9.078 8.160 5.636 368 HG23 VAL 48 HG23 VAL 48 10.823 7.956 5.481 369 H LEU 49 H LEU 49 12.149 8.981 9.487 370 HA LEU 49 HA LEU 49 11.371 11.260 11.108 371 HB2 LEU 49 HB3 LEU 49 12.623 8.620 11.931 372 HB3 LEU 49 HB2 LEU 49 11.911 9.802 13.027 373 HG LEU 49 HG LEU 49 10.421 8.207 10.900 374 HD11 LEU 49 HD11 LEU 49 9.301 7.098 12.752 375 HD12 LEU 49 HD12 LEU 49 10.278 8.003 13.913 376 HD13 LEU 49 HD13 LEU 49 11.045 6.847 12.821 377 HD21 LEU 49 HD21 LEU 49 9.297 10.244 12.857 378 HD22 LEU 49 HD22 LEU 49 8.353 9.210 11.779 379 HD23 LEU 49 HD23 LEU 49 9.423 10.434 11.105 380 H SER 50 H SER 50 14.306 10.326 9.629 381 HA SER 50 HA SER 50 16.174 11.701 11.288 382 HB2 SER 50 HB3 SER 50 16.931 10.178 9.508 383 HB3 SER 50 HB2 SER 50 16.216 11.218 8.277 384 HG SER 50 HG SER 50 18.416 11.785 9.978 385 H ASP 51 H ASP 51 13.916 12.746 8.798 386 HA ASP 51 HA ASP 51 14.004 15.479 9.709 387 HB2 ASP 51 HB3 ASP 51 15.830 15.734 8.179 388 HB3 ASP 51 HB2 ASP 51 15.049 14.746 6.948 389 HA PRO 52 HA PRO 52 9.804 14.989 7.888 390 HB2 PRO 52 HB3 PRO 52 8.357 15.613 10.036 391 HB3 PRO 52 HB2 PRO 52 9.202 14.058 9.989 392 HG2 PRO 52 HG3 PRO 52 9.978 16.597 11.409 393 HG3 PRO 52 HG2 PRO 52 10.060 14.923 11.996 394 HD2 PRO 52 HD3 PRO 52 12.206 16.372 10.857 395 HD3 PRO 52 HD2 PRO 52 12.151 14.607 11.069 396 H ASN 53 H ASN 53 11.795 17.569 8.638 397 HA ASN 53 HA ASN 53 9.730 19.661 8.831 398 HB2 ASN 53 HB3 ASN 53 12.735 19.753 9.297 399 HB3 ASN 53 HB2 ASN 53 11.675 21.154 9.430 400 HD21 ASN 53 HD21 ASN 53 10.103 21.192 11.103 401 HD22 ASN 53 HD22 ASN 53 10.301 20.225 12.519 402 H LEU 54 H LEU 54 12.656 18.975 6.865 403 HA LEU 54 HA LEU 54 12.506 21.325 5.286 404 HB2 LEU 54 HB3 LEU 54 13.883 18.683 4.695 405 HB3 LEU 54 HB2 LEU 54 14.134 20.159 3.774 406 HG LEU 54 HG LEU 54 14.853 19.771 6.710 407 HD11 LEU 54 HD11 LEU 54 16.325 18.462 5.263 408 HD12 LEU 54 HD12 LEU 54 17.193 19.814 5.983 409 HD13 LEU 54 HD13 LEU 54 16.686 19.895 4.294 410 HD21 LEU 54 HD21 LEU 54 15.395 22.149 4.897 411 HD22 LEU 54 HD22 LEU 54 15.981 21.948 6.552 412 HD23 LEU 54 HD23 LEU 54 14.255 22.102 6.245 413 H VAL 55 H VAL 55 12.074 21.520 2.993 414 HA VAL 55 HA VAL 55 9.595 20.468 2.099 415 HB VAL 55 HB VAL 55 11.756 21.781 0.383 416 HG11 VAL 55 HG11 VAL 55 9.974 20.799 -0.986 417 HG12 VAL 55 HG12 VAL 55 9.877 22.558 -1.043 418 HG13 VAL 55 HG13 VAL 55 8.743 21.646 -0.043 419 HG21 VAL 55 HG21 VAL 55 11.306 23.194 2.340 420 HG22 VAL 55 HG22 VAL 55 9.572 23.140 2.015 421 HG23 VAL 55 HG23 VAL 55 10.658 23.951 0.884 422 H ILE 56 H ILE 56 12.801 19.220 1.893 423 HA ILE 56 HA ILE 56 12.760 17.419 -0.241 424 HB ILE 56 HB ILE 56 14.067 16.975 2.489 425 HG12 ILE 56 HG12 ILE 56 15.223 18.407 0.042 426 HG13 ILE 56 HG11 ILE 56 14.685 19.195 1.521 427 HG21 ILE 56 HG21 ILE 56 15.728 15.589 1.283 428 HG22 ILE 56 HG22 ILE 56 14.835 15.818 -0.222 429 HG23 ILE 56 HG23 ILE 56 14.099 14.932 1.115 430 HD11 ILE 56 HD11 ILE 56 17.093 19.037 1.467 431 HD12 ILE 56 HD12 ILE 56 17.015 17.290 1.258 432 HD13 ILE 56 HD13 ILE 56 16.464 18.024 2.767 433 H ARG 57 H ARG 57 11.019 17.241 2.815 434 HA ARG 57 HA ARG 57 10.453 14.508 2.994 435 HB2 ARG 57 HB3 ARG 57 9.909 16.169 4.771 436 HB3 ARG 57 HB2 ARG 57 8.610 16.801 3.765 437 HG2 ARG 57 HG3 ARG 57 7.469 14.594 3.873 438 HG3 ARG 57 HG2 ARG 57 8.762 13.986 4.906 439 HD2 ARG 57 HD3 ARG 57 6.801 14.604 6.234 440 HD3 ARG 57 HD2 ARG 57 8.169 15.651 6.628 441 HE ARG 57 HE ARG 57 6.718 16.968 4.667 442 HH11 ARG 57 HH11 ARG 57 6.066 15.874 7.894 443 HH12 ARG 57 HH12 ARG 57 4.933 17.142 8.193 444 HH21 ARG 57 HH21 ARG 57 5.264 18.562 5.090 445 HH22 ARG 57 HH22 ARG 57 4.486 18.639 6.632 446 H LYS 58 H LYS 58 8.933 16.989 0.957 447 HA LYS 58 HA LYS 58 6.803 15.528 -0.146 448 HB2 LYS 58 HB3 LYS 58 6.996 17.918 -0.523 449 HB3 LYS 58 HB2 LYS 58 8.541 17.724 -1.344 450 HG2 LYS 58 HG3 LYS 58 7.426 16.613 -3.229 451 HG3 LYS 58 HG2 LYS 58 5.875 16.713 -2.393 452 HD2 LYS 58 HD3 LYS 58 6.047 18.475 -4.098 453 HD3 LYS 58 HD2 LYS 58 5.970 19.185 -2.485 454 HE2 LYS 58 HE3 LYS 58 7.635 20.333 -3.893 455 HE3 LYS 58 HE2 LYS 58 8.414 19.546 -2.520 456 HZ1 LYS 58 HZ1 LYS 58 9.164 17.791 -3.931 457 HZ2 LYS 58 HZ2 LYS 58 9.577 19.255 -4.665 458 HZ3 LYS 58 HZ3 LYS 58 8.262 18.366 -5.243 459 H ARG 59 H ARG 59 10.208 15.739 -1.273 460 HA ARG 59 HA ARG 59 10.094 13.893 -3.408 461 HB2 ARG 59 HB3 ARG 59 12.046 15.389 -3.005 462 HB3 ARG 59 HB2 ARG 59 12.432 14.496 -1.538 463 HG2 ARG 59 HG3 ARG 59 12.753 12.436 -3.005 464 HG3 ARG 59 HG2 ARG 59 12.613 13.507 -4.401 465 HD2 ARG 59 HD3 ARG 59 14.704 13.742 -2.209 466 HD3 ARG 59 HD2 ARG 59 14.970 13.013 -3.793 467 HE ARG 59 HE ARG 59 14.099 15.810 -3.706 468 HH11 ARG 59 HH11 ARG 59 16.692 13.580 -4.243 469 HH12 ARG 59 HH12 ARG 59 17.720 14.787 -4.925 470 HH21 ARG 59 HH21 ARG 59 15.443 17.324 -4.589 471 HH22 ARG 59 HH22 ARG 59 17.017 16.869 -5.137 472 H LYS 60 H LYS 60 10.720 13.445 0.064 473 HA LYS 60 HA LYS 60 11.217 10.678 0.075 474 HB2 LYS 60 HB3 LYS 60 10.043 12.394 2.298 475 HB3 LYS 60 HB2 LYS 60 10.658 10.753 2.511 476 HG2 LYS 60 HG3 LYS 60 12.908 11.462 1.900 477 HG3 LYS 60 HG2 LYS 60 12.328 13.088 1.519 478 HD2 LYS 60 HD3 LYS 60 11.672 13.371 3.915 479 HD3 LYS 60 HD2 LYS 60 12.359 11.784 4.271 480 HE2 LYS 60 HE3 LYS 60 14.582 12.576 3.602 481 HE3 LYS 60 HE2 LYS 60 13.913 14.142 3.142 482 HZ1 LYS 60 HZ1 LYS 60 13.356 14.571 5.421 483 HZ2 LYS 60 HZ2 LYS 60 14.991 14.139 5.328 484 HZ3 LYS 60 HZ3 LYS 60 13.854 13.021 5.885 485 H VAL 61 H VAL 61 8.078 12.426 0.158 486 HA VAL 61 HA VAL 61 6.412 10.169 0.599 487 HB VAL 61 HB VAL 61 5.569 12.407 -1.286 488 HG11 VAL 61 HG11 VAL 61 4.012 10.501 -1.104 489 HG12 VAL 61 HG12 VAL 61 3.296 11.954 -0.411 490 HG13 VAL 61 HG13 VAL 61 3.944 10.700 0.649 491 HG21 VAL 61 HG21 VAL 61 6.501 13.516 0.682 492 HG22 VAL 61 HG22 VAL 61 5.477 12.551 1.740 493 HG23 VAL 61 HG23 VAL 61 4.749 13.713 0.633 494 H GLY 62 H GLY 62 7.831 11.483 -2.387 495 HA2 GLY 62 HA3 GLY 62 6.760 9.649 -4.264 496 HA3 GLY 62 HA2 GLY 62 8.251 10.557 -4.451 497 H VAL 63 H VAL 63 9.731 9.529 -2.288 498 HA VAL 63 HA VAL 63 10.706 7.010 -3.168 499 HB VAL 63 HB VAL 63 11.059 8.259 -0.400 500 HG11 VAL 63 HG11 VAL 63 12.765 6.168 -1.817 501 HG12 VAL 63 HG12 VAL 63 11.730 5.891 -0.414 502 HG13 VAL 63 HG13 VAL 63 13.147 6.929 -0.270 503 HG21 VAL 63 HG21 VAL 63 12.788 8.600 -2.888 504 HG22 VAL 63 HG22 VAL 63 13.165 9.231 -1.282 505 HG23 VAL 63 HG23 VAL 63 11.757 9.832 -2.157 506 H LEU 64 H LEU 64 8.355 7.863 -0.634 507 HA LEU 64 HA LEU 64 7.874 5.330 0.485 508 HB2 LEU 64 HB3 LEU 64 6.407 7.932 0.446 509 HB3 LEU 64 HB2 LEU 64 5.389 6.539 0.723 510 HG LEU 64 HG LEU 64 6.057 7.577 2.830 511 HD11 LEU 64 HD11 LEU 64 5.622 5.178 2.814 512 HD12 LEU 64 HD12 LEU 64 6.857 5.591 3.998 513 HD13 LEU 64 HD13 LEU 64 7.323 4.848 2.466 514 HD21 LEU 64 HD21 LEU 64 8.907 6.943 2.023 515 HD22 LEU 64 HD22 LEU 64 8.386 7.545 3.601 516 HD23 LEU 64 HD23 LEU 64 8.181 8.548 2.169 517 H LEU 65 H LEU 65 6.284 6.941 -2.286 518 HA LEU 65 HA LEU 65 4.360 5.006 -2.902 519 HB2 LEU 65 HB3 LEU 65 5.940 6.724 -4.859 520 HB3 LEU 65 HB2 LEU 65 4.424 5.911 -5.219 521 HG LEU 65 HG LEU 65 4.790 8.202 -3.240 522 HD11 LEU 65 HD11 LEU 65 3.480 9.553 -4.814 523 HD12 LEU 65 HD12 LEU 65 3.435 8.204 -5.951 524 HD13 LEU 65 HD13 LEU 65 4.973 8.969 -5.548 525 HD21 LEU 65 HD21 LEU 65 3.023 6.701 -2.465 526 HD22 LEU 65 HD22 LEU 65 2.228 6.785 -4.039 527 HD23 LEU 65 HD23 LEU 65 2.344 8.227 -3.027 528 H ASP 66 H ASP 66 7.763 5.232 -3.872 529 HA ASP 66 HA ASP 66 7.855 2.997 -5.624 530 HB2 ASP 66 HB3 ASP 66 9.447 4.919 -5.686 531 HB3 ASP 66 HB2 ASP 66 10.128 4.395 -4.150 532 H ILE 67 H ILE 67 8.807 3.335 -2.171 533 HA ILE 67 HA ILE 67 9.803 0.642 -1.925 534 HB ILE 67 HB ILE 67 9.169 2.748 0.185 535 HG12 ILE 67 HG12 ILE 67 11.812 1.772 -1.008 536 HG13 ILE 67 HG11 ILE 67 11.041 3.323 -1.327 537 HG21 ILE 67 HG21 ILE 67 10.539 0.064 0.631 538 HG22 ILE 67 HG22 ILE 67 8.973 0.555 1.276 539 HG23 ILE 67 HG23 ILE 67 10.440 1.366 1.817 540 HD11 ILE 67 HD11 ILE 67 12.181 2.421 1.319 541 HD12 ILE 67 HD12 ILE 67 11.409 3.977 1.002 542 HD13 ILE 67 HD13 ILE 67 12.914 3.557 0.188 543 H LEU 68 H LEU 68 6.787 2.235 -0.841 544 HA LEU 68 HA LEU 68 5.507 -0.094 0.148 545 HB2 LEU 68 HB3 LEU 68 4.316 2.498 -0.880 546 HB3 LEU 68 HB2 LEU 68 3.380 1.242 -0.088 547 HG LEU 68 HG LEU 68 5.620 2.859 1.204 548 HD11 LEU 68 HD11 LEU 68 3.850 3.907 2.546 549 HD12 LEU 68 HD12 LEU 68 2.623 3.015 1.642 550 HD13 LEU 68 HD13 LEU 68 3.625 4.216 0.824 551 HD21 LEU 68 HD21 LEU 68 5.522 0.585 2.146 552 HD22 LEU 68 HD22 LEU 68 3.800 0.781 2.476 553 HD23 LEU 68 HD23 LEU 68 4.982 1.784 3.321 554 H GLN 69 H GLN 69 5.842 1.194 -3.145 555 HA GLN 69 HA GLN 69 4.150 -0.674 -4.474 556 HB2 GLN 69 HB3 GLN 69 5.119 1.356 -5.547 557 HB3 GLN 69 HB2 GLN 69 6.717 0.630 -5.466 558 HG2 GLN 69 HG3 GLN 69 5.925 -1.168 -7.014 559 HG3 GLN 69 HG2 GLN 69 4.378 -0.325 -7.145 560 HE21 GLN 69 HE21 GLN 69 4.340 1.736 -8.182 561 HE22 GLN 69 HE22 GLN 69 5.584 2.199 -9.280 562 H ARG 70 H ARG 70 7.577 -0.900 -3.458 563 HA ARG 70 HA ARG 70 8.186 -3.388 -4.679 564 HB2 ARG 70 HB3 ARG 70 9.423 -2.090 -2.219 565 HB3 ARG 70 HB2 ARG 70 10.097 -3.496 -3.047 566 HG2 ARG 70 HG3 ARG 70 10.384 -2.170 -5.098 567 HG3 ARG 70 HG2 ARG 70 9.687 -0.764 -4.298 568 HD2 ARG 70 HD3 ARG 70 11.572 -0.763 -2.688 569 HD3 ARG 70 HD2 ARG 70 12.277 -2.153 -3.530 570 HE ARG 70 HE ARG 70 11.788 0.427 -4.889 571 HH11 ARG 70 HH11 ARG 70 13.998 -2.130 -4.117 572 HH12 ARG 70 HH12 ARG 70 15.228 -1.488 -5.146 573 HH21 ARG 70 HH21 ARG 70 13.377 1.194 -6.189 574 HH22 ARG 70 HH22 ARG 70 14.887 0.354 -6.286 575 H THR 71 H THR 71 6.766 -2.634 -1.537 576 HA THR 71 HA THR 71 6.217 -5.496 -0.996 577 HB THR 71 HB THR 71 7.137 -4.176 0.892 578 HG1 THR 71 HG1 THR 71 5.157 -4.595 2.332 579 HG21 THR 71 HG21 THR 71 5.796 -2.456 2.036 580 HG22 THR 71 HG22 THR 71 4.574 -2.544 0.769 581 HG23 THR 71 HG23 THR 71 6.194 -1.949 0.392 582 H GLY 72 H GLY 72 4.951 -4.057 -3.195 583 HA2 GLY 72 HA3 GLY 72 2.855 -2.493 -3.065 584 HA3 GLY 72 HA2 GLY 72 2.928 -3.784 -4.232 585 H HIS 73 H HIS 73 2.176 -6.061 -2.728 586 HA HIS 73 HA HIS 73 -0.644 -5.697 -2.621 587 HB2 HIS 73 HB2 HIS 73 0.427 -7.895 -3.153 588 HB3 HIS 73 HB1 HIS 73 0.932 -8.047 -1.470 589 HD1 HIS 73 HD1 HIS 73 -0.649 -9.334 -0.050 590 HD2 HIS 73 HD2 HIS 73 -2.571 -7.693 -3.346 591 HE1 HIS 73 HE1 HIS 73 -3.019 -10.132 0.095 592 HE2 HIS 73 HE2 HIS 73 -4.153 -9.162 -1.924 593 H LYS 74 H LYS 74 1.799 -5.770 -0.049 594 HA LYS 74 HA LYS 74 -0.067 -5.319 2.125 595 HB2 LYS 74 HB3 LYS 74 2.969 -5.104 1.941 596 HB3 LYS 74 HB2 LYS 74 2.071 -4.799 3.423 597 HG2 LYS 74 HG3 LYS 74 1.200 -7.134 3.325 598 HG3 LYS 74 HG2 LYS 74 2.231 -7.424 1.920 599 HD2 LYS 74 HD3 LYS 74 4.235 -7.102 3.228 600 HD3 LYS 74 HD2 LYS 74 3.313 -6.491 4.605 601 HE2 LYS 74 HE3 LYS 74 3.206 -9.335 3.540 602 HE3 LYS 74 HE2 LYS 74 4.077 -8.804 4.981 603 HZ1 LYS 74 HZ1 LYS 74 1.956 -9.761 5.570 604 HZ2 LYS 74 HZ2 LYS 74 1.136 -8.669 4.576 605 HZ3 LYS 74 HZ3 LYS 74 1.957 -8.112 5.942 606 H GLY 75 H GLY 75 2.394 -3.326 0.480 607 HA2 GLY 75 HA3 GLY 75 2.146 -0.987 1.974 608 HA3 GLY 75 HA2 GLY 75 2.835 -1.097 0.367 609 H TYR 76 H TYR 76 0.571 -1.808 -1.118 610 HA TYR 76 HA TYR 76 -0.660 0.682 -1.614 611 HB2 TYR 76 HB2 TYR 76 -0.366 -1.088 -3.336 612 HB3 TYR 76 HB1 TYR 76 -1.577 -2.077 -2.530 613 HD1 TYR 76 HD1 TYR 76 -3.844 -1.890 -3.236 614 HD2 TYR 76 HD2 TYR 76 -1.138 1.292 -4.139 615 HE1 TYR 76 HE1 TYR 76 -5.573 -0.806 -4.603 616 HE2 TYR 76 HE2 TYR 76 -2.870 2.372 -5.505 617 HH TYR 76 HH TYR 76 -4.892 1.732 -6.748 618 H VAL 77 H VAL 77 -2.035 -2.292 -0.153 619 HA VAL 77 HA VAL 77 -4.631 -1.300 0.352 620 HB VAL 77 HB VAL 77 -3.109 -3.506 1.815 621 HG11 VAL 77 HG11 VAL 77 -6.099 -2.916 1.837 622 HG12 VAL 77 HG12 VAL 77 -4.992 -2.758 3.202 623 HG13 VAL 77 HG13 VAL 77 -5.339 -4.351 2.532 624 HG21 VAL 77 HG21 VAL 77 -4.344 -5.053 0.325 625 HG22 VAL 77 HG22 VAL 77 -3.343 -3.934 -0.601 626 HG23 VAL 77 HG23 VAL 77 -5.087 -3.676 -0.496 627 H ALA 78 H ALA 78 -1.802 -1.543 2.548 628 HA ALA 78 HA ALA 78 -2.958 -0.315 4.823 629 HB1 ALA 78 HB1 ALA 78 -0.884 -1.639 4.913 630 HB2 ALA 78 HB2 ALA 78 -0.657 -0.045 5.633 631 HB3 ALA 78 HB3 ALA 78 -0.035 -0.379 4.014 632 H PHE 79 H PHE 79 -1.284 1.095 2.011 633 HA PHE 79 HA PHE 79 -1.118 3.765 2.991 634 HB2 PHE 79 HB2 PHE 79 0.154 2.741 0.977 635 HB3 PHE 79 HB1 PHE 79 -1.306 3.029 0.041 636 HD1 PHE 79 HD1 PHE 79 -1.052 4.921 -1.366 637 HD2 PHE 79 HD2 PHE 79 0.670 5.004 2.549 638 HE1 PHE 79 HE1 PHE 79 -0.248 7.219 -1.759 639 HE2 PHE 79 HE2 PHE 79 1.463 7.285 2.157 640 HZ PHE 79 HZ PHE 79 1.009 8.407 0.002 641 H LEU 80 H LEU 80 -3.565 2.067 0.996 642 HA LEU 80 HA LEU 80 -5.299 4.249 0.555 643 HB2 LEU 80 HB3 LEU 80 -5.973 1.293 0.742 644 HB3 LEU 80 HB2 LEU 80 -7.097 2.528 0.198 645 HG LEU 80 HG LEU 80 -4.609 1.523 -1.215 646 HD11 LEU 80 HD11 LEU 80 -6.201 1.031 -3.031 647 HD12 LEU 80 HD12 LEU 80 -7.528 1.614 -2.027 648 HD13 LEU 80 HD13 LEU 80 -6.606 0.190 -1.537 649 HD21 LEU 80 HD21 LEU 80 -6.224 3.983 -1.991 650 HD22 LEU 80 HD22 LEU 80 -4.987 3.207 -2.984 651 HD23 LEU 80 HD23 LEU 80 -4.541 3.954 -1.455 652 H GLU 81 H GLU 81 -5.315 1.788 3.137 653 HA GLU 81 HA GLU 81 -7.625 2.721 4.489 654 HB2 GLU 81 HB3 GLU 81 -5.305 1.075 5.568 655 HB3 GLU 81 HB2 GLU 81 -6.856 1.290 6.374 656 HG2 GLU 81 HG3 GLU 81 -6.346 -0.146 3.752 657 HG3 GLU 81 HG2 GLU 81 -6.774 -0.877 5.297 658 H SER 82 H SER 82 -4.142 3.517 4.908 659 HA SER 82 HA SER 82 -4.474 5.214 7.183 660 HB2 SER 82 HB3 SER 82 -2.249 6.109 6.707 661 HB3 SER 82 HB2 SER 82 -2.231 4.372 6.429 662 HG SER 82 HG SER 82 -2.008 4.685 4.331 663 H LEU 83 H LEU 83 -4.498 5.917 3.661 664 HA LEU 83 HA LEU 83 -4.823 8.732 3.942 665 HB2 LEU 83 HB3 LEU 83 -5.560 6.968 1.589 666 HB3 LEU 83 HB2 LEU 83 -5.506 8.726 1.553 667 HG LEU 83 HG LEU 83 -3.181 6.807 1.837 668 HD11 LEU 83 HD11 LEU 83 -3.803 8.912 -0.240 669 HD12 LEU 83 HD12 LEU 83 -3.910 7.159 -0.441 670 HD13 LEU 83 HD13 LEU 83 -2.343 7.922 -0.182 671 HD21 LEU 83 HD21 LEU 83 -1.683 8.748 2.072 672 HD22 LEU 83 HD22 LEU 83 -2.767 8.580 3.448 673 HD23 LEU 83 HD23 LEU 83 -3.084 9.814 2.224 674 H GLU 84 H GLU 84 -7.176 6.093 3.792 675 HA GLU 84 HA GLU 84 -9.518 7.659 3.480 676 HB2 GLU 84 HB3 GLU 84 -9.542 5.219 3.136 677 HB3 GLU 84 HB2 GLU 84 -9.183 4.951 4.837 678 HG2 GLU 84 HG3 GLU 84 -11.512 4.514 4.501 679 HG3 GLU 84 HG2 GLU 84 -11.376 6.000 5.430 680 H LEU 85 H LEU 85 -7.640 6.767 6.338 681 HA LEU 85 HA LEU 85 -9.563 7.846 8.230 682 HB2 LEU 85 HB3 LEU 85 -6.738 6.800 8.646 683 HB3 LEU 85 HB2 LEU 85 -7.860 7.211 9.940 684 HG LEU 85 HG LEU 85 -8.265 4.992 7.891 685 HD11 LEU 85 HD11 LEU 85 -7.554 4.748 10.827 686 HD12 LEU 85 HD12 LEU 85 -6.485 4.428 9.461 687 HD13 LEU 85 HD13 LEU 85 -7.899 3.413 9.720 688 HD21 LEU 85 HD21 LEU 85 -10.421 5.922 8.577 689 HD22 LEU 85 HD22 LEU 85 -10.003 5.717 10.280 690 HD23 LEU 85 HD23 LEU 85 -10.209 4.304 9.241 691 H TYR 86 H TYR 86 -6.390 8.874 6.946 692 HA TYR 86 HA TYR 86 -6.312 11.196 8.754 693 HB2 TYR 86 HB2 TYR 86 -4.147 10.011 6.968 694 HB3 TYR 86 HB1 TYR 86 -3.919 11.397 8.030 695 HD1 TYR 86 HD1 TYR 86 -4.432 10.988 10.601 696 HD2 TYR 86 HD2 TYR 86 -3.671 7.835 7.821 697 HE1 TYR 86 HE1 TYR 86 -3.844 9.478 12.455 698 HE2 TYR 86 HE2 TYR 86 -3.087 6.332 9.670 699 HH TYR 86 HH TYR 86 -3.768 7.023 12.901 700 H TYR 87 H TYR 87 -6.422 10.522 5.233 701 HA TYR 87 HA TYR 87 -7.013 13.407 4.750 702 HB2 TYR 87 HB2 TYR 87 -5.273 11.604 2.992 703 HB3 TYR 87 HB1 TYR 87 -5.795 13.224 2.549 704 HD1 TYR 87 HD1 TYR 87 -3.278 11.303 4.331 705 HD2 TYR 87 HD2 TYR 87 -5.010 15.200 3.979 706 HE1 TYR 87 HE1 TYR 87 -1.314 12.288 5.459 707 HE2 TYR 87 HE2 TYR 87 -3.054 16.168 5.095 708 HH TYR 87 HH TYR 87 -0.172 14.475 5.648 709 HA PRO 88 HA PRO 88 -10.163 10.016 3.344 710 HB2 PRO 88 HB3 PRO 88 -12.483 11.386 4.147 711 HB3 PRO 88 HB2 PRO 88 -11.605 10.196 5.118 712 HG2 PRO 88 HG3 PRO 88 -11.421 13.204 5.183 713 HG3 PRO 88 HG2 PRO 88 -11.461 12.051 6.536 714 HD2 PRO 88 HD3 PRO 88 -9.145 13.153 5.760 715 HD3 PRO 88 HD2 PRO 88 -9.205 11.449 6.254 716 H GLN 89 H GLN 89 -10.756 13.527 2.945 717 HA GLN 89 HA GLN 89 -12.435 13.435 0.699 718 HB2 GLN 89 HB3 GLN 89 -10.487 15.625 1.554 719 HB3 GLN 89 HB2 GLN 89 -11.696 15.826 0.293 720 HG2 GLN 89 HG3 GLN 89 -12.615 16.840 2.209 721 HG3 GLN 89 HG2 GLN 89 -13.457 15.302 2.053 722 HE21 GLN 89 HE21 GLN 89 -10.202 15.780 3.402 723 HE22 GLN 89 HE22 GLN 89 -10.616 15.310 5.006 724 H LEU 90 H LEU 90 -8.898 13.942 0.831 725 HA LEU 90 HA LEU 90 -8.379 14.074 -1.928 726 HB2 LEU 90 HB3 LEU 90 -6.744 14.751 -0.155 727 HB3 LEU 90 HB2 LEU 90 -6.514 13.057 0.253 728 HG LEU 90 HG LEU 90 -5.681 12.668 -2.115 729 HD11 LEU 90 HD11 LEU 90 -4.981 14.585 -3.462 730 HD12 LEU 90 HD12 LEU 90 -5.703 15.694 -2.297 731 HD13 LEU 90 HD13 LEU 90 -6.725 14.583 -3.215 732 HD21 LEU 90 HD21 LEU 90 -4.106 12.895 -0.261 733 HD22 LEU 90 HD22 LEU 90 -4.084 14.646 -0.473 734 HD23 LEU 90 HD23 LEU 90 -3.449 13.595 -1.739 735 H TYR 91 H TYR 91 -8.307 11.309 0.323 736 HA TYR 91 HA TYR 91 -7.503 9.235 -1.333 737 HB2 TYR 91 HB2 TYR 91 -7.777 8.879 1.059 738 HB3 TYR 91 HB1 TYR 91 -9.501 9.221 0.970 739 HD1 TYR 91 HD1 TYR 91 -11.045 7.417 0.662 740 HD2 TYR 91 HD2 TYR 91 -6.913 6.799 -0.235 741 HE1 TYR 91 HE1 TYR 91 -11.480 5.027 0.284 742 HE2 TYR 91 HE2 TYR 91 -7.360 4.425 -0.606 743 HH TYR 91 HH TYR 91 -10.443 3.136 -0.970 744 H LYS 92 H LYS 92 -10.853 10.303 -0.717 745 HA LYS 92 HA LYS 92 -12.152 8.496 -2.456 746 HB2 LYS 92 HB3 LYS 92 -13.107 11.211 -1.454 747 HB3 LYS 92 HB2 LYS 92 -14.138 9.958 -2.151 748 HG2 LYS 92 HG3 LYS 92 -13.697 8.466 -0.290 749 HG3 LYS 92 HG2 LYS 92 -12.481 9.565 0.361 750 HD2 LYS 92 HD3 LYS 92 -14.344 11.285 0.642 751 HD3 LYS 92 HD2 LYS 92 -15.486 10.002 0.227 752 HE2 LYS 92 HE3 LYS 92 -13.602 10.064 2.611 753 HE3 LYS 92 HE2 LYS 92 -15.357 10.229 2.646 754 HZ1 LYS 92 HZ1 LYS 92 -14.828 8.034 3.273 755 HZ2 LYS 92 HZ2 LYS 92 -13.786 7.807 1.962 756 HZ3 LYS 92 HZ3 LYS 92 -15.459 7.935 1.705 757 H LYS 93 H LYS 93 -10.804 11.746 -3.027 758 HA LYS 93 HA LYS 93 -11.796 12.023 -5.711 759 HB2 LYS 93 HB3 LYS 93 -9.429 13.384 -4.369 760 HB3 LYS 93 HB2 LYS 93 -10.075 13.833 -5.946 761 HG2 LYS 93 HG3 LYS 93 -12.287 14.302 -4.796 762 HG3 LYS 93 HG2 LYS 93 -11.457 14.082 -3.255 763 HD2 LYS 93 HD3 LYS 93 -10.796 16.169 -5.372 764 HD3 LYS 93 HD2 LYS 93 -11.624 16.471 -3.844 765 HE2 LYS 93 HE3 LYS 93 -9.592 15.851 -2.603 766 HE3 LYS 93 HE2 LYS 93 -8.761 15.479 -4.116 767 HZ1 LYS 93 HZ1 LYS 93 -9.780 18.144 -3.294 768 HZ2 LYS 93 HZ2 LYS 93 -9.041 17.800 -4.776 769 HZ3 LYS 93 HZ3 LYS 93 -8.158 17.664 -3.341 770 H VAL 94 H VAL 94 -8.690 10.712 -4.440 771 HA VAL 94 HA VAL 94 -7.520 10.494 -7.092 772 HB VAL 94 HB VAL 94 -5.549 9.481 -6.018 773 HG11 VAL 94 HG11 VAL 94 -6.553 11.962 -4.562 774 HG12 VAL 94 HG12 VAL 94 -5.693 11.926 -6.102 775 HG13 VAL 94 HG13 VAL 94 -4.871 11.428 -4.625 776 HG21 VAL 94 HG21 VAL 94 -7.121 9.599 -3.409 777 HG22 VAL 94 HG22 VAL 94 -5.402 9.217 -3.545 778 HG23 VAL 94 HG23 VAL 94 -6.604 8.137 -4.251 779 H THR 95 H THR 95 -9.425 8.426 -5.087 780 HA THR 95 HA THR 95 -8.929 6.015 -6.684 781 HB THR 95 HB THR 95 -10.701 4.976 -5.283 782 HG1 THR 95 HG1 THR 95 -11.873 6.150 -3.845 783 HG21 THR 95 HG21 THR 95 -8.433 4.942 -4.361 784 HG22 THR 95 HG22 THR 95 -9.596 5.177 -3.055 785 HG23 THR 95 HG23 THR 95 -8.663 6.547 -3.662 786 H GLY 96 H GLY 96 -11.336 8.567 -6.334 787 HA2 GLY 96 HA3 GLY 96 -12.654 9.338 -8.196 788 HA3 GLY 96 HA2 GLY 96 -12.749 7.689 -8.795 789 H LYS 97 H LYS 97 -13.257 6.675 -6.021 790 HA LYS 97 HA LYS 97 -15.962 7.720 -5.430 791 HB2 LYS 97 HB3 LYS 97 -15.298 4.752 -5.719 792 HB3 LYS 97 HB2 LYS 97 -16.835 5.400 -5.152 793 HG2 LYS 97 HG3 LYS 97 -17.217 6.436 -7.364 794 HG3 LYS 97 HG2 LYS 97 -15.664 5.819 -7.921 795 HD2 LYS 97 HD3 LYS 97 -17.406 4.377 -8.778 796 HD3 LYS 97 HD2 LYS 97 -16.491 3.489 -7.561 797 HE2 LYS 97 HE3 LYS 97 -18.283 3.878 -5.913 798 HE3 LYS 97 HE2 LYS 97 -19.184 4.825 -7.099 799 HZ1 LYS 97 HZ1 LYS 97 -20.049 2.601 -6.974 800 HZ2 LYS 97 HZ2 LYS 97 -18.529 1.936 -7.291 801 HZ3 LYS 97 HZ3 LYS 97 -19.321 2.827 -8.486 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -11.785 -10.335 -17.019 2 H2 MET 1 HT2 MET 1 -11.162 -11.211 -18.321 3 H3 MET 1 HT3 MET 1 -12.805 -10.824 -18.273 4 HA MET 1 HA MET 1 -11.619 -9.429 -19.832 5 HB2 MET 1 HB2 MET 1 -12.753 -8.064 -17.359 6 HB3 MET 1 HB1 MET 1 -12.313 -7.166 -18.807 7 HG2 MET 1 HG2 MET 1 -14.716 -7.621 -18.723 8 HG3 MET 1 HG1 MET 1 -13.964 -8.409 -20.114 9 HE1 MET 1 HE1 MET 1 -16.026 -10.022 -20.507 10 HE2 MET 1 HE2 MET 1 -16.878 -9.216 -19.188 11 HE3 MET 1 HE3 MET 1 -16.774 -10.977 -19.227 12 H SER 2 H SER 2 -10.672 -8.277 -16.560 13 HA SER 2 HA SER 2 -7.837 -8.173 -17.281 14 HB2 SER 2 HB3 SER 2 -9.402 -5.645 -16.569 15 HB3 SER 2 HB2 SER 2 -7.641 -5.743 -16.605 16 HG SER 2 HG SER 2 -7.874 -5.227 -18.625 17 H ASP 3 H ASP 3 -7.234 -9.486 -15.583 18 HA ASP 3 HA ASP 3 -7.952 -8.703 -12.804 19 HB2 ASP 3 HB3 ASP 3 -6.920 -11.397 -13.814 20 HB3 ASP 3 HB2 ASP 3 -7.410 -11.028 -12.160 21 H TYR 4 H TYR 4 -6.365 -7.362 -12.072 22 HA TYR 4 HA TYR 4 -3.545 -8.248 -12.253 23 HB2 TYR 4 HB2 TYR 4 -4.473 -5.397 -12.812 24 HB3 TYR 4 HB1 TYR 4 -2.798 -5.932 -12.718 25 HD1 TYR 4 HD1 TYR 4 -5.706 -5.618 -14.866 26 HD2 TYR 4 HD2 TYR 4 -1.919 -7.561 -14.494 27 HE1 TYR 4 HE1 TYR 4 -5.744 -6.150 -17.264 28 HE2 TYR 4 HE2 TYR 4 -1.957 -8.088 -16.899 29 HH TYR 4 HH TYR 4 -3.750 -8.403 -18.690 30 H GLU 5 H GLU 5 -3.566 -8.870 -10.098 31 HA GLU 5 HA GLU 5 -3.929 -6.903 -7.974 32 HB2 GLU 5 HB3 GLU 5 -2.925 -8.860 -6.537 33 HB3 GLU 5 HB2 GLU 5 -4.530 -9.044 -7.218 34 HG2 GLU 5 HG3 GLU 5 -3.252 -11.119 -7.394 35 HG3 GLU 5 HG2 GLU 5 -3.674 -10.493 -8.985 36 H ASN 6 H ASN 6 -1.615 -7.278 -10.229 37 HA ASN 6 HA ASN 6 0.882 -7.239 -9.060 38 HB2 ASN 6 HB3 ASN 6 -0.004 -5.688 -11.537 39 HB3 ASN 6 HB2 ASN 6 1.664 -6.081 -11.116 40 HD21 ASN 6 HD21 ASN 6 -1.351 -7.334 -12.321 41 HD22 ASN 6 HD22 ASN 6 -0.742 -8.855 -12.850 42 H ASP 7 H ASP 7 2.256 -5.724 -8.259 43 HA ASP 7 HA ASP 7 1.282 -3.611 -6.682 44 HB2 ASP 7 HB3 ASP 7 4.151 -3.933 -7.653 45 HB3 ASP 7 HB2 ASP 7 3.607 -3.171 -6.159 46 H ASP 8 H ASP 8 2.999 -3.578 -9.774 47 HA ASP 8 HA ASP 8 3.350 -0.801 -10.098 48 HB2 ASP 8 HB3 ASP 8 3.080 -2.891 -12.307 49 HB3 ASP 8 HB2 ASP 8 3.908 -1.337 -12.421 50 H GLU 9 H GLU 9 0.681 -2.945 -11.044 51 HA GLU 9 HA GLU 9 -0.728 -0.978 -12.628 52 HB2 GLU 9 HB3 GLU 9 -0.856 -3.357 -13.212 53 HB3 GLU 9 HB2 GLU 9 -1.569 -3.739 -11.653 54 HG2 GLU 9 HG3 GLU 9 -3.255 -3.736 -13.428 55 HG3 GLU 9 HG2 GLU 9 -3.590 -2.489 -12.230 56 H CYS 10 H CYS 10 -1.234 -2.447 -9.405 57 HA CYS 10 HA CYS 10 -3.675 -1.141 -8.790 58 HB2 CYS 10 HB3 CYS 10 -3.289 -1.832 -6.473 59 HB3 CYS 10 HB2 CYS 10 -2.855 -3.145 -7.562 60 HG CYS 10 HG CYS 10 -1.136 -2.859 -5.260 61 H TRP 11 H TRP 11 -0.302 -0.350 -7.893 62 HA TRP 11 HA TRP 11 -0.796 2.128 -6.650 63 HB2 TRP 11 HB2 TRP 11 1.668 0.857 -7.847 64 HB3 TRP 11 HB1 TRP 11 1.727 2.561 -7.406 65 HD1 TRP 11 HD1 TRP 11 1.708 -0.915 -5.820 66 HE1 TRP 11 HE1 TRP 11 2.089 -0.648 -3.289 67 HE3 TRP 11 HE3 TRP 11 1.225 4.162 -5.442 68 HZ2 TRP 11 HZ2 TRP 11 2.155 1.417 -1.390 69 HZ3 TRP 11 HZ3 TRP 11 1.454 5.208 -3.225 70 HH2 TRP 11 HH2 TRP 11 1.911 3.857 -1.240 71 H SER 12 H SER 12 -0.411 1.332 -10.077 72 HA SER 12 HA SER 12 0.107 3.834 -11.194 73 HB2 SER 12 HB3 SER 12 0.143 1.809 -12.559 74 HB3 SER 12 HB2 SER 12 -1.595 1.598 -12.358 75 HG SER 12 HG SER 12 -1.633 2.671 -14.177 76 H VAL 13 H VAL 13 -2.972 2.587 -10.039 77 HA VAL 13 HA VAL 13 -4.797 4.516 -10.944 78 HB VAL 13 HB VAL 13 -4.765 3.034 -8.271 79 HG11 VAL 13 HG11 VAL 13 -6.340 4.922 -8.172 80 HG12 VAL 13 HG12 VAL 13 -7.218 3.394 -8.198 81 HG13 VAL 13 HG13 VAL 13 -7.118 4.378 -9.660 82 HG21 VAL 13 HG21 VAL 13 -4.683 1.479 -10.174 83 HG22 VAL 13 HG22 VAL 13 -6.081 2.266 -10.912 84 HG23 VAL 13 HG23 VAL 13 -6.264 1.392 -9.389 85 H LEU 14 H LEU 14 -2.742 4.534 -8.033 86 HA LEU 14 HA LEU 14 -3.513 7.200 -7.195 87 HB2 LEU 14 HB3 LEU 14 -1.291 5.395 -6.169 88 HB3 LEU 14 HB2 LEU 14 -1.814 6.894 -5.416 89 HG LEU 14 HG LEU 14 -3.358 4.285 -5.595 90 HD11 LEU 14 HD11 LEU 14 -2.370 5.860 -3.193 91 HD12 LEU 14 HD12 LEU 14 -1.667 4.372 -3.832 92 HD13 LEU 14 HD13 LEU 14 -3.288 4.350 -3.147 93 HD21 LEU 14 HD21 LEU 14 -4.405 6.954 -4.579 94 HD22 LEU 14 HD22 LEU 14 -5.214 5.395 -4.392 95 HD23 LEU 14 HD23 LEU 14 -4.972 6.070 -5.999 96 H GLU 15 H GLU 15 -0.865 5.799 -9.069 97 HA GLU 15 HA GLU 15 1.019 7.904 -8.852 98 HB2 GLU 15 HB3 GLU 15 0.681 5.810 -11.028 99 HB3 GLU 15 HB2 GLU 15 2.062 6.900 -10.922 100 HG2 GLU 15 HG3 GLU 15 1.289 4.881 -8.786 101 HG3 GLU 15 HG2 GLU 15 2.488 4.595 -10.047 102 H GLY 16 H GLY 16 -1.696 7.388 -11.048 103 HA2 GLY 16 HA3 GLY 16 -1.371 9.552 -12.820 104 HA3 GLY 16 HA2 GLY 16 -2.906 8.847 -12.344 105 H PHE 17 H PHE 17 -2.130 9.608 -9.439 106 HA PHE 17 HA PHE 17 -2.736 12.521 -9.516 107 HB2 PHE 17 HB2 PHE 17 -3.478 10.465 -7.378 108 HB3 PHE 17 HB1 PHE 17 -3.863 12.181 -7.327 109 HD1 PHE 17 HD1 PHE 17 -4.728 8.944 -8.861 110 HD2 PHE 17 HD2 PHE 17 -5.637 13.120 -8.711 111 HE1 PHE 17 HE1 PHE 17 -6.864 8.530 -10.008 112 HE2 PHE 17 HE2 PHE 17 -7.763 12.690 -9.850 113 HZ PHE 17 HZ PHE 17 -8.384 10.402 -10.501 114 H ARG 18 H ARG 18 -0.072 10.719 -9.171 115 HA ARG 18 HA ARG 18 0.736 10.967 -6.475 116 HB2 ARG 18 HB3 ARG 18 2.839 10.113 -7.082 117 HB3 ARG 18 HB2 ARG 18 1.707 9.401 -8.224 118 HG2 ARG 18 HG3 ARG 18 2.428 11.157 -9.903 119 HG3 ARG 18 HG2 ARG 18 3.673 11.658 -8.753 120 HD2 ARG 18 HD3 ARG 18 3.435 9.061 -10.284 121 HD3 ARG 18 HD2 ARG 18 4.805 10.174 -10.208 122 HE ARG 18 HE ARG 18 3.966 8.287 -8.089 123 HH11 ARG 18 HH11 ARG 18 6.458 10.319 -9.359 124 HH12 ARG 18 HH12 ARG 18 7.685 9.555 -8.411 125 HH21 ARG 18 HH21 ARG 18 5.519 7.328 -6.935 126 HH22 ARG 18 HH22 ARG 18 7.155 7.880 -7.043 127 H VAL 19 H VAL 19 0.971 13.283 -9.082 128 HA VAL 19 HA VAL 19 2.741 15.167 -8.023 129 HB VAL 19 HB VAL 19 1.857 15.377 -10.292 130 HG11 VAL 19 HG11 VAL 19 -0.458 16.117 -10.788 131 HG12 VAL 19 HG12 VAL 19 -0.859 16.008 -9.074 132 HG13 VAL 19 HG13 VAL 19 -0.436 14.550 -9.972 133 HG21 VAL 19 HG21 VAL 19 2.695 17.442 -9.238 134 HG22 VAL 19 HG22 VAL 19 1.080 17.804 -8.627 135 HG23 VAL 19 HG23 VAL 19 1.385 17.811 -10.365 136 H THR 20 H THR 20 -0.744 14.769 -7.359 137 HA THR 20 HA THR 20 -0.926 16.898 -5.426 138 HB THR 20 HB THR 20 -2.895 14.605 -5.880 139 HG1 THR 20 HG1 THR 20 -3.907 16.030 -7.341 140 HG21 THR 20 HG21 THR 20 -3.297 17.383 -4.684 141 HG22 THR 20 HG22 THR 20 -3.360 15.850 -3.803 142 HG23 THR 20 HG23 THR 20 -4.583 16.221 -5.018 143 H LEU 21 H LEU 21 -0.529 13.364 -5.320 144 HA LEU 21 HA LEU 21 -0.987 12.970 -2.553 145 HB2 LEU 21 HB3 LEU 21 0.725 11.287 -4.412 146 HB3 LEU 21 HB2 LEU 21 0.141 10.787 -2.829 147 HG LEU 21 HG LEU 21 -1.523 11.264 -5.333 148 HD11 LEU 21 HD11 LEU 21 -2.103 8.888 -5.093 149 HD12 LEU 21 HD12 LEU 21 -1.028 8.762 -3.697 150 HD13 LEU 21 HD13 LEU 21 -0.368 9.129 -5.295 151 HD21 LEU 21 HD21 LEU 21 -2.784 12.142 -3.411 152 HD22 LEU 21 HD22 LEU 21 -2.569 10.614 -2.556 153 HD23 LEU 21 HD23 LEU 21 -3.522 10.669 -4.039 154 H THR 22 H THR 22 2.153 13.259 -4.288 155 HA THR 22 HA THR 22 3.832 13.117 -2.025 156 HB THR 22 HB THR 22 5.615 14.156 -3.435 157 HG1 THR 22 HG1 THR 22 3.602 14.373 -5.455 158 HG21 THR 22 HG21 THR 22 4.028 12.015 -4.911 159 HG22 THR 22 HG22 THR 22 5.223 11.723 -3.646 160 HG23 THR 22 HG23 THR 22 5.725 12.419 -5.186 161 H SER 23 H SER 23 2.015 15.815 -3.330 162 HA SER 23 HA SER 23 3.419 17.876 -1.866 163 HB2 SER 23 HB3 SER 23 0.805 17.956 -3.426 164 HB3 SER 23 HB2 SER 23 1.574 19.375 -2.705 165 HG SER 23 HG SER 23 2.018 18.584 -5.058 166 H VAL 24 H VAL 24 0.047 16.598 -1.605 167 HA VAL 24 HA VAL 24 -0.474 18.082 0.807 168 HB VAL 24 HB VAL 24 -2.163 15.869 -0.440 169 HG11 VAL 24 HG11 VAL 24 -4.059 16.878 0.814 170 HG12 VAL 24 HG12 VAL 24 -2.947 18.021 1.571 171 HG13 VAL 24 HG13 VAL 24 -2.798 16.295 1.906 172 HG21 VAL 24 HG21 VAL 24 -3.468 17.686 -1.511 173 HG22 VAL 24 HG22 VAL 24 -1.790 17.684 -2.059 174 HG23 VAL 24 HG23 VAL 24 -2.328 18.877 -0.875 175 H ILE 25 H ILE 25 0.047 14.611 0.095 176 HA ILE 25 HA ILE 25 -0.317 13.782 2.839 177 HB ILE 25 HB ILE 25 0.794 12.204 0.482 178 HG12 ILE 25 HG12 ILE 25 -2.021 12.092 1.639 179 HG13 ILE 25 HG11 ILE 25 -1.591 13.103 0.262 180 HG21 ILE 25 HG21 ILE 25 0.269 10.167 1.808 181 HG22 ILE 25 HG22 ILE 25 -0.181 11.178 3.180 182 HG23 ILE 25 HG23 ILE 25 1.488 11.164 2.607 183 HD11 ILE 25 HD11 ILE 25 -1.336 10.106 0.369 184 HD12 ILE 25 HD12 ILE 25 -0.987 11.143 -1.017 185 HD13 ILE 25 HD13 ILE 25 -2.632 11.019 -0.399 186 H ASP 26 H ASP 26 1.159 14.376 4.301 187 HA ASP 26 HA ASP 26 4.002 14.419 3.892 188 HB2 ASP 26 HB3 ASP 26 2.521 14.172 6.559 189 HB3 ASP 26 HB2 ASP 26 4.142 14.813 6.295 190 HA PRO 27 HA PRO 27 4.517 9.952 4.339 191 HB2 PRO 27 HB3 PRO 27 7.210 9.768 4.441 192 HB3 PRO 27 HB2 PRO 27 6.390 10.330 2.977 193 HG2 PRO 27 HG3 PRO 27 7.740 11.958 5.132 194 HG3 PRO 27 HG2 PRO 27 7.850 12.130 3.366 195 HD2 PRO 27 HD3 PRO 27 6.192 13.670 4.957 196 HD3 PRO 27 HD2 PRO 27 5.878 13.341 3.241 197 H SER 28 H SER 28 5.979 12.161 6.644 198 HA SER 28 HA SER 28 6.469 10.325 8.793 199 HB2 SER 28 HB3 SER 28 6.910 12.474 10.060 200 HB3 SER 28 HB2 SER 28 7.819 12.343 8.555 201 HG SER 28 HG SER 28 6.257 14.307 9.262 202 H ARG 29 H ARG 29 3.680 12.007 7.648 203 HA ARG 29 HA ARG 29 2.177 12.405 10.010 204 HB2 ARG 29 HB3 ARG 29 1.670 13.298 7.668 205 HB3 ARG 29 HB2 ARG 29 1.051 11.707 7.258 206 HG2 ARG 29 HG3 ARG 29 -0.864 12.990 7.781 207 HG3 ARG 29 HG2 ARG 29 -0.589 12.010 9.225 208 HD2 ARG 29 HD3 ARG 29 -1.119 14.303 9.874 209 HD3 ARG 29 HD2 ARG 29 0.565 13.951 10.290 210 HE ARG 29 HE ARG 29 0.179 15.218 7.695 211 HH11 ARG 29 HH11 ARG 29 0.883 15.786 11.041 212 HH12 ARG 29 HH12 ARG 29 1.413 17.401 10.740 213 HH21 ARG 29 HH21 ARG 29 0.880 17.268 7.378 214 HH22 ARG 29 HH22 ARG 29 1.419 18.220 8.718 215 H ILE 30 H ILE 30 2.707 9.566 8.007 216 HA ILE 30 HA ILE 30 0.747 7.958 9.556 217 HB ILE 30 HB ILE 30 0.384 6.616 7.474 218 HG12 ILE 30 HG12 ILE 30 2.071 8.808 6.135 219 HG13 ILE 30 HG11 ILE 30 2.539 7.123 6.315 220 HG21 ILE 30 HG21 ILE 30 -1.200 8.420 8.073 221 HG22 ILE 30 HG22 ILE 30 -1.053 8.272 6.323 222 HG23 ILE 30 HG23 ILE 30 -0.237 9.591 7.166 223 HD11 ILE 30 HD11 ILE 30 1.833 7.579 4.061 224 HD12 ILE 30 HD12 ILE 30 0.278 8.181 4.631 225 HD13 ILE 30 HD13 ILE 30 0.691 6.476 4.828 226 H THR 31 H THR 31 4.008 8.311 9.302 227 HA THR 31 HA THR 31 5.148 5.858 8.726 228 HB THR 31 HB THR 31 6.879 6.551 10.694 229 HG1 THR 31 HG1 THR 31 6.710 8.559 11.366 230 HG21 THR 31 HG21 THR 31 7.412 6.577 8.275 231 HG22 THR 31 HG22 THR 31 8.080 7.982 9.109 232 HG23 THR 31 HG23 THR 31 6.623 8.149 8.126 233 HA PRO 32 HA PRO 32 4.487 4.185 13.332 234 HB2 PRO 32 HB3 PRO 32 2.214 5.163 14.618 235 HB3 PRO 32 HB2 PRO 32 3.862 5.729 14.917 236 HG2 PRO 32 HG3 PRO 32 1.739 6.935 13.151 237 HG3 PRO 32 HG2 PRO 32 2.871 7.736 14.261 238 HD2 PRO 32 HD3 PRO 32 3.312 7.719 11.616 239 HD3 PRO 32 HD2 PRO 32 4.655 7.592 12.770 240 H TYR 33 H TYR 33 1.656 5.151 11.349 241 HA TYR 33 HA TYR 33 0.204 2.721 11.799 242 HB2 TYR 33 HB2 TYR 33 -0.979 4.807 11.134 243 HB3 TYR 33 HB1 TYR 33 -0.198 4.741 9.553 244 HD1 TYR 33 HD1 TYR 33 -1.203 3.439 7.788 245 HD2 TYR 33 HD2 TYR 33 -2.458 2.793 11.823 246 HE1 TYR 33 HE1 TYR 33 -2.934 1.883 7.003 247 HE2 TYR 33 HE2 TYR 33 -4.198 1.253 11.032 248 HH TYR 33 HH TYR 33 -4.236 0.026 7.851 249 H LEU 34 H LEU 34 2.534 3.793 9.369 250 HA LEU 34 HA LEU 34 2.189 1.682 7.500 251 HB2 LEU 34 HB3 LEU 34 4.596 3.455 8.038 252 HB3 LEU 34 HB2 LEU 34 4.482 2.348 6.679 253 HG LEU 34 HG LEU 34 2.701 4.777 7.137 254 HD11 LEU 34 HD11 LEU 34 4.931 4.352 5.124 255 HD12 LEU 34 HD12 LEU 34 4.972 5.415 6.534 256 HD13 LEU 34 HD13 LEU 34 3.862 5.757 5.211 257 HD21 LEU 34 HD21 LEU 34 1.432 3.041 5.974 258 HD22 LEU 34 HD22 LEU 34 2.724 2.846 4.786 259 HD23 LEU 34 HD23 LEU 34 1.815 4.360 4.865 260 H ARG 35 H ARG 35 4.596 2.112 10.182 261 HA ARG 35 HA ARG 35 5.704 -0.517 9.950 262 HB2 ARG 35 HB3 ARG 35 6.684 -0.190 12.183 263 HB3 ARG 35 HB2 ARG 35 6.932 1.219 11.161 264 HG2 ARG 35 HG3 ARG 35 5.219 2.460 12.344 265 HG3 ARG 35 HG2 ARG 35 4.761 1.030 13.271 266 HD2 ARG 35 HD3 ARG 35 6.963 1.031 14.381 267 HD3 ARG 35 HD2 ARG 35 7.455 2.431 13.424 268 HE ARG 35 HE ARG 35 5.150 2.582 15.272 269 HH11 ARG 35 HH11 ARG 35 8.188 3.883 14.214 270 HH12 ARG 35 HH12 ARG 35 8.156 5.153 15.385 271 HH21 ARG 35 HH21 ARG 35 5.140 4.242 16.733 272 HH22 ARG 35 HH22 ARG 35 6.458 5.352 16.773 273 H GLN 36 H GLN 36 2.952 0.742 11.845 274 HA GLN 36 HA GLN 36 2.212 -1.496 13.349 275 HB2 GLN 36 HB3 GLN 36 1.199 0.752 13.541 276 HB3 GLN 36 HB2 GLN 36 0.429 0.556 11.976 277 HG2 GLN 36 HG3 GLN 36 -0.965 -1.261 12.895 278 HG3 GLN 36 HG2 GLN 36 -0.193 -1.059 14.469 279 HE21 GLN 36 HE21 GLN 36 -3.014 -0.748 13.697 280 HE22 GLN 36 HE22 GLN 36 -3.453 0.853 14.162 281 H CYS 37 H CYS 37 1.695 -0.881 9.912 282 HA CYS 37 HA CYS 37 0.124 -3.354 9.547 283 HB2 CYS 37 HB3 CYS 37 0.729 -1.081 7.620 284 HB3 CYS 37 HB2 CYS 37 -0.331 -2.450 7.282 285 HG CYS 37 HG CYS 37 -0.864 -0.082 9.691 286 H LYS 38 H LYS 38 3.297 -2.845 9.816 287 HA LYS 38 HA LYS 38 5.140 -4.082 9.327 288 HB2 LYS 38 HB3 LYS 38 3.238 -5.858 7.751 289 HB3 LYS 38 HB2 LYS 38 4.928 -6.249 8.053 290 HG2 LYS 38 HG3 LYS 38 2.815 -5.888 10.208 291 HG3 LYS 38 HG2 LYS 38 3.347 -7.440 9.550 292 HD2 LYS 38 HD3 LYS 38 5.682 -6.883 10.332 293 HD3 LYS 38 HD2 LYS 38 5.022 -5.445 11.119 294 HE2 LYS 38 HE3 LYS 38 3.590 -6.878 12.532 295 HE3 LYS 38 HE2 LYS 38 4.234 -8.317 11.735 296 HZ1 LYS 38 HZ1 LYS 38 6.448 -7.663 12.533 297 HZ2 LYS 38 HZ2 LYS 38 5.361 -7.973 13.787 298 HZ3 LYS 38 HZ3 LYS 38 5.750 -6.379 13.385 299 H VAL 39 H VAL 39 3.738 -2.153 7.097 300 HA VAL 39 HA VAL 39 5.089 -3.065 4.678 301 HB VAL 39 HB VAL 39 3.897 -1.321 3.499 302 HG11 VAL 39 HG11 VAL 39 2.061 -2.555 5.588 303 HG12 VAL 39 HG12 VAL 39 2.619 -3.345 4.113 304 HG13 VAL 39 HG13 VAL 39 1.572 -1.931 4.009 305 HG21 VAL 39 HG21 VAL 39 4.154 0.552 5.088 306 HG22 VAL 39 HG22 VAL 39 3.013 -0.212 6.195 307 HG23 VAL 39 HG23 VAL 39 2.462 0.361 4.619 308 H LEU 40 H LEU 40 6.078 -1.264 7.285 309 HA LEU 40 HA LEU 40 8.149 0.217 5.766 310 HB2 LEU 40 HB3 LEU 40 6.321 1.725 6.578 311 HB3 LEU 40 HB2 LEU 40 6.637 1.192 8.218 312 HG LEU 40 HG LEU 40 8.952 2.183 8.043 313 HD11 LEU 40 HD11 LEU 40 9.227 2.145 5.606 314 HD12 LEU 40 HD12 LEU 40 9.456 3.770 6.245 315 HD13 LEU 40 HD13 LEU 40 7.948 3.352 5.427 316 HD21 LEU 40 HD21 LEU 40 7.150 3.411 9.158 317 HD22 LEU 40 HD22 LEU 40 6.654 4.123 7.620 318 HD23 LEU 40 HD23 LEU 40 8.230 4.517 8.310 319 H ASN 41 H ASN 41 10.128 -0.433 6.361 320 HA ASN 41 HA ASN 41 10.670 -1.915 8.809 321 HB2 ASN 41 HB3 ASN 41 12.627 -0.922 6.691 322 HB3 ASN 41 HB2 ASN 41 12.935 -2.161 7.905 323 HD21 ASN 41 HD21 ASN 41 13.014 -2.206 4.928 324 HD22 ASN 41 HD22 ASN 41 12.015 -3.540 4.472 325 HA PRO 42 HA PRO 42 12.112 1.545 11.384 326 HB2 PRO 42 HB3 PRO 42 14.450 0.461 12.492 327 HB3 PRO 42 HB2 PRO 42 12.817 0.165 13.096 328 HG2 PRO 42 HG3 PRO 42 14.487 -1.520 11.233 329 HG3 PRO 42 HG2 PRO 42 13.500 -2.033 12.621 330 HD2 PRO 42 HD3 PRO 42 12.576 -2.339 10.132 331 HD3 PRO 42 HD2 PRO 42 11.476 -1.797 11.422 332 H ASP 43 H ASP 43 14.489 0.009 9.236 333 HA ASP 43 HA ASP 43 16.414 2.075 9.043 334 HB2 ASP 43 HB3 ASP 43 15.611 0.018 6.932 335 HB3 ASP 43 HB2 ASP 43 17.128 0.919 6.972 336 H ASP 44 H ASP 44 13.680 1.249 6.907 337 HA ASP 44 HA ASP 44 13.851 3.480 5.158 338 HB2 ASP 44 HB3 ASP 44 11.524 1.604 5.786 339 HB3 ASP 44 HB2 ASP 44 11.542 2.745 4.437 340 H GLU 45 H GLU 45 12.225 3.007 8.229 341 HA GLU 45 HA GLU 45 10.530 5.309 8.118 342 HB2 GLU 45 HB3 GLU 45 10.059 3.403 9.633 343 HB3 GLU 45 HB2 GLU 45 11.517 3.770 10.553 344 HG2 GLU 45 HG3 GLU 45 10.568 5.981 11.153 345 HG3 GLU 45 HG2 GLU 45 9.106 5.596 10.247 346 H GLU 46 H GLU 46 13.696 4.646 9.643 347 HA GLU 46 HA GLU 46 14.157 7.173 10.803 348 HB2 GLU 46 HB3 GLU 46 15.464 5.028 11.223 349 HB3 GLU 46 HB2 GLU 46 16.281 5.270 9.688 350 HG2 GLU 46 HG3 GLU 46 16.402 7.283 11.957 351 HG3 GLU 46 HG2 GLU 46 17.529 5.942 11.825 352 H GLN 47 H GLN 47 14.924 5.892 7.589 353 HA GLN 47 HA GLN 47 16.202 8.019 6.340 354 HB2 GLN 47 HB3 GLN 47 16.023 5.831 5.321 355 HB3 GLN 47 HB2 GLN 47 14.276 5.924 5.260 356 HG2 GLN 47 HG3 GLN 47 15.791 7.981 3.697 357 HG3 GLN 47 HG2 GLN 47 15.863 6.327 3.104 358 HE21 GLN 47 HE21 GLN 47 13.909 5.322 2.438 359 HE22 GLN 47 HE22 GLN 47 12.529 6.255 1.987 360 H VAL 48 H VAL 48 12.697 7.476 6.671 361 HA VAL 48 HA VAL 48 11.879 9.839 5.249 362 HB VAL 48 HB VAL 48 10.378 7.848 7.000 363 HG11 VAL 48 HG11 VAL 48 9.207 10.205 5.479 364 HG12 VAL 48 HG12 VAL 48 9.188 9.963 7.228 365 HG13 VAL 48 HG13 VAL 48 8.263 8.889 6.182 366 HG21 VAL 48 HG21 VAL 48 11.154 6.989 4.811 367 HG22 VAL 48 HG22 VAL 48 10.334 8.315 3.985 368 HG23 VAL 48 HG23 VAL 48 9.391 7.098 4.851 369 H LEU 49 H LEU 49 11.959 9.004 8.713 370 HA LEU 49 HA LEU 49 10.979 11.521 9.679 371 HB2 LEU 49 HB3 LEU 49 12.230 9.165 11.132 372 HB3 LEU 49 HB2 LEU 49 11.596 10.583 11.954 373 HG LEU 49 HG LEU 49 9.964 8.621 10.282 374 HD11 LEU 49 HD11 LEU 49 8.898 7.990 12.392 375 HD12 LEU 49 HD12 LEU 49 9.970 9.073 13.285 376 HD13 LEU 49 HD13 LEU 49 10.630 7.671 12.437 377 HD21 LEU 49 HD21 LEU 49 7.982 9.871 11.047 378 HD22 LEU 49 HD22 LEU 49 9.041 10.873 10.061 379 HD23 LEU 49 HD23 LEU 49 9.026 11.072 11.817 380 H SER 50 H SER 50 14.074 10.507 8.664 381 HA SER 50 HA SER 50 15.714 12.300 10.131 382 HB2 SER 50 HB3 SER 50 16.631 10.470 8.732 383 HB3 SER 50 HB2 SER 50 16.083 11.299 7.277 384 HG SER 50 HG SER 50 17.524 13.049 8.631 385 H ASP 51 H ASP 51 13.593 12.805 7.320 386 HA ASP 51 HA ASP 51 14.124 15.730 7.432 387 HB2 ASP 51 HB3 ASP 51 13.648 14.256 4.807 388 HB3 ASP 51 HB2 ASP 51 14.136 15.930 5.022 389 HA PRO 52 HA PRO 52 9.471 14.873 7.317 390 HB2 PRO 52 HB3 PRO 52 8.721 15.148 9.875 391 HB3 PRO 52 HB2 PRO 52 9.542 13.675 9.335 392 HG2 PRO 52 HG3 PRO 52 10.673 16.040 10.816 393 HG3 PRO 52 HG2 PRO 52 10.956 14.308 11.096 394 HD2 PRO 52 HD3 PRO 52 12.639 16.006 9.631 395 HD3 PRO 52 HD2 PRO 52 12.634 14.235 9.521 396 H ASN 53 H ASN 53 11.216 17.523 8.982 397 HA ASN 53 HA ASN 53 8.903 19.302 9.017 398 HB2 ASN 53 HB3 ASN 53 11.757 19.783 9.977 399 HB3 ASN 53 HB2 ASN 53 10.391 20.861 10.256 400 HD21 ASN 53 HD21 ASN 53 12.051 19.658 12.237 401 HD22 ASN 53 HD22 ASN 53 11.041 18.663 13.219 402 H LEU 54 H LEU 54 11.764 18.825 7.056 403 HA LEU 54 HA LEU 54 11.643 21.417 5.730 404 HB2 LEU 54 HB3 LEU 54 13.190 18.882 5.050 405 HB3 LEU 54 HB2 LEU 54 13.387 20.423 4.227 406 HG LEU 54 HG LEU 54 14.052 19.874 7.150 407 HD11 LEU 54 HD11 LEU 54 15.651 18.827 5.612 408 HD12 LEU 54 HD12 LEU 54 16.394 20.163 6.485 409 HD13 LEU 54 HD13 LEU 54 15.910 20.373 4.798 410 HD21 LEU 54 HD21 LEU 54 14.405 22.439 5.556 411 HD22 LEU 54 HD22 LEU 54 15.013 22.149 7.189 412 HD23 LEU 54 HD23 LEU 54 13.278 22.178 6.892 413 H VAL 55 H VAL 55 11.438 21.524 3.272 414 HA VAL 55 HA VAL 55 9.068 20.224 2.266 415 HB VAL 55 HB VAL 55 11.111 21.928 0.764 416 HG11 VAL 55 HG11 VAL 55 9.734 20.685 -0.841 417 HG12 VAL 55 HG12 VAL 55 9.287 22.390 -0.873 418 HG13 VAL 55 HG13 VAL 55 8.255 21.225 -0.040 419 HG21 VAL 55 HG21 VAL 55 10.163 23.150 2.671 420 HG22 VAL 55 HG22 VAL 55 8.526 22.784 2.120 421 HG23 VAL 55 HG23 VAL 55 9.573 23.827 1.152 422 H ILE 56 H ILE 56 12.354 19.295 2.392 423 HA ILE 56 HA ILE 56 12.601 17.417 0.319 424 HB ILE 56 HB ILE 56 13.771 17.313 3.151 425 HG12 ILE 56 HG12 ILE 56 15.965 17.813 1.948 426 HG13 ILE 56 HG11 ILE 56 15.048 18.049 0.470 427 HG21 ILE 56 HG21 ILE 56 15.336 15.543 2.376 428 HG22 ILE 56 HG22 ILE 56 14.478 15.462 0.836 429 HG23 ILE 56 HG23 ILE 56 13.658 14.998 2.327 430 HD11 ILE 56 HD11 ILE 56 14.870 19.711 2.973 431 HD12 ILE 56 HD12 ILE 56 13.931 19.967 1.499 432 HD13 ILE 56 HD13 ILE 56 15.685 20.141 1.470 433 H ARG 57 H ARG 57 10.512 17.374 3.124 434 HA ARG 57 HA ARG 57 9.858 14.725 3.512 435 HB2 ARG 57 HB3 ARG 57 7.712 15.433 4.365 436 HB3 ARG 57 HB2 ARG 57 8.900 16.659 4.795 437 HG2 ARG 57 HG3 ARG 57 8.093 18.108 2.969 438 HG3 ARG 57 HG2 ARG 57 6.932 16.870 2.488 439 HD2 ARG 57 HD3 ARG 57 5.731 18.508 3.755 440 HD3 ARG 57 HD2 ARG 57 5.880 17.077 4.778 441 HE ARG 57 HE ARG 57 8.002 18.861 5.307 442 HH11 ARG 57 HH11 ARG 57 4.620 18.497 5.963 443 HH12 ARG 57 HH12 ARG 57 4.691 19.560 7.319 444 HH21 ARG 57 HH21 ARG 57 8.005 20.213 7.032 445 HH22 ARG 57 HH22 ARG 57 6.554 20.484 7.916 446 H LYS 58 H LYS 58 8.864 16.760 0.779 447 HA LYS 58 HA LYS 58 6.985 14.961 -0.404 448 HB2 LYS 58 HB3 LYS 58 8.626 17.181 -1.686 449 HB3 LYS 58 HB2 LYS 58 7.270 16.356 -2.455 450 HG2 LYS 58 HG3 LYS 58 5.781 17.209 -0.623 451 HG3 LYS 58 HG2 LYS 58 7.152 18.115 0.023 452 HD2 LYS 58 HD3 LYS 58 5.644 19.532 -1.358 453 HD3 LYS 58 HD2 LYS 58 7.277 19.457 -2.027 454 HE2 LYS 58 HE3 LYS 58 6.558 17.880 -3.737 455 HE3 LYS 58 HE2 LYS 58 4.964 17.734 -3.001 456 HZ1 LYS 58 HZ1 LYS 58 6.075 20.192 -4.230 457 HZ2 LYS 58 HZ2 LYS 58 4.535 20.036 -3.552 458 HZ3 LYS 58 HZ3 LYS 58 4.943 19.157 -4.937 459 H ARG 59 H ARG 59 10.480 15.411 -0.801 460 HA ARG 59 HA ARG 59 10.894 13.436 -2.834 461 HB2 ARG 59 HB3 ARG 59 12.806 14.670 -0.804 462 HB3 ARG 59 HB2 ARG 59 13.325 13.453 -1.962 463 HG2 ARG 59 HG3 ARG 59 13.953 15.596 -2.827 464 HG3 ARG 59 HG2 ARG 59 12.633 14.984 -3.823 465 HD2 ARG 59 HD3 ARG 59 11.051 16.458 -2.593 466 HD3 ARG 59 HD2 ARG 59 12.400 17.074 -1.627 467 HE ARG 59 HE ARG 59 12.855 17.365 -4.438 468 HH11 ARG 59 HH11 ARG 59 11.221 18.876 -1.781 469 HH12 ARG 59 HH12 ARG 59 11.246 20.431 -2.530 470 HH21 ARG 59 HH21 ARG 59 12.835 19.335 -5.379 471 HH22 ARG 59 HH22 ARG 59 12.128 20.686 -4.564 472 H LYS 60 H LYS 60 10.818 13.367 0.709 473 HA LYS 60 HA LYS 60 11.581 10.687 1.158 474 HB2 LYS 60 HB3 LYS 60 9.618 12.340 2.795 475 HB3 LYS 60 HB2 LYS 60 10.432 10.881 3.343 476 HG2 LYS 60 HG3 LYS 60 11.952 13.388 2.572 477 HG3 LYS 60 HG2 LYS 60 11.282 13.160 4.183 478 HD2 LYS 60 HD3 LYS 60 13.487 12.475 4.461 479 HD3 LYS 60 HD2 LYS 60 12.660 10.945 4.215 480 HE2 LYS 60 HE3 LYS 60 13.461 10.853 1.906 481 HE3 LYS 60 HE2 LYS 60 14.194 12.453 2.068 482 HZ1 LYS 60 HZ1 LYS 60 14.944 10.032 3.614 483 HZ2 LYS 60 HZ2 LYS 60 15.635 11.566 3.799 484 HZ3 LYS 60 HZ3 LYS 60 15.834 10.720 2.349 485 H VAL 61 H VAL 61 8.346 12.165 0.552 486 HA VAL 61 HA VAL 61 6.795 9.805 0.607 487 HB VAL 61 HB VAL 61 6.242 12.185 -1.237 488 HG11 VAL 61 HG11 VAL 61 3.866 11.452 -1.123 489 HG12 VAL 61 HG12 VAL 61 4.343 10.065 -0.138 490 HG13 VAL 61 HG13 VAL 61 4.900 10.194 -1.807 491 HG21 VAL 61 HG21 VAL 61 4.777 13.084 0.518 492 HG22 VAL 61 HG22 VAL 61 6.450 12.982 1.064 493 HG23 VAL 61 HG23 VAL 61 5.277 11.785 1.608 494 H GLY 62 H GLY 62 8.383 11.434 -2.166 495 HA2 GLY 62 HA3 GLY 62 7.601 9.738 -4.235 496 HA3 GLY 62 HA2 GLY 62 9.072 10.696 -4.223 497 H VAL 63 H VAL 63 10.549 9.503 -2.228 498 HA VAL 63 HA VAL 63 11.558 7.077 -3.326 499 HB VAL 63 HB VAL 63 12.014 8.334 -0.575 500 HG11 VAL 63 HG11 VAL 63 14.048 6.920 -0.410 501 HG12 VAL 63 HG12 VAL 63 13.600 6.092 -1.904 502 HG13 VAL 63 HG13 VAL 63 12.580 5.940 -0.470 503 HG21 VAL 63 HG21 VAL 63 12.747 9.780 -2.438 504 HG22 VAL 63 HG22 VAL 63 13.726 8.468 -3.098 505 HG23 VAL 63 HG23 VAL 63 14.137 9.174 -1.534 506 H LEU 64 H LEU 64 9.420 7.792 -0.580 507 HA LEU 64 HA LEU 64 9.208 5.178 0.483 508 HB2 LEU 64 HB3 LEU 64 8.654 7.271 1.727 509 HB3 LEU 64 HB2 LEU 64 7.233 7.476 0.721 510 HG LEU 64 HG LEU 64 6.280 5.364 1.661 511 HD11 LEU 64 HD11 LEU 64 7.289 4.308 3.633 512 HD12 LEU 64 HD12 LEU 64 8.701 5.355 3.487 513 HD13 LEU 64 HD13 LEU 64 8.339 4.176 2.222 514 HD21 LEU 64 HD21 LEU 64 5.670 7.533 2.647 515 HD22 LEU 64 HD22 LEU 64 7.028 7.418 3.770 516 HD23 LEU 64 HD23 LEU 64 5.699 6.262 3.869 517 H LEU 65 H LEU 65 7.411 6.775 -2.120 518 HA LEU 65 HA LEU 65 5.225 4.961 -2.319 519 HB2 LEU 65 HB3 LEU 65 6.491 6.759 -4.428 520 HB3 LEU 65 HB2 LEU 65 5.017 5.841 -4.697 521 HG LEU 65 HG LEU 65 5.381 8.137 -2.727 522 HD11 LEU 65 HD11 LEU 65 5.210 8.891 -5.039 523 HD12 LEU 65 HD12 LEU 65 3.759 9.329 -4.141 524 HD13 LEU 65 HD13 LEU 65 3.723 7.964 -5.264 525 HD21 LEU 65 HD21 LEU 65 2.899 6.456 -3.207 526 HD22 LEU 65 HD22 LEU 65 2.990 7.909 -2.207 527 HD23 LEU 65 HD23 LEU 65 3.887 6.469 -1.744 528 H ASP 66 H ASP 66 8.437 5.082 -3.813 529 HA ASP 66 HA ASP 66 8.255 2.802 -5.474 530 HB2 ASP 66 HB3 ASP 66 10.053 4.601 -5.573 531 HB3 ASP 66 HB2 ASP 66 10.776 3.891 -4.135 532 H ILE 67 H ILE 67 9.502 3.177 -2.136 533 HA ILE 67 HA ILE 67 10.201 0.518 -1.536 534 HB ILE 67 HB ILE 67 9.077 2.613 0.391 535 HG12 ILE 67 HG12 ILE 67 12.007 2.056 -0.273 536 HG13 ILE 67 HG11 ILE 67 11.079 3.397 -0.933 537 HG21 ILE 67 HG21 ILE 67 10.313 1.400 2.176 538 HG22 ILE 67 HG22 ILE 67 10.771 0.157 1.011 539 HG23 ILE 67 HG23 ILE 67 9.073 0.385 1.432 540 HD11 ILE 67 HD11 ILE 67 11.764 2.968 1.975 541 HD12 ILE 67 HD12 ILE 67 10.798 4.303 1.338 542 HD13 ILE 67 HD13 ILE 67 12.492 4.140 0.876 543 H LEU 68 H LEU 68 7.139 2.220 -0.895 544 HA LEU 68 HA LEU 68 5.709 0.017 0.165 545 HB2 LEU 68 HB3 LEU 68 4.726 2.661 -0.941 546 HB3 LEU 68 HB2 LEU 68 3.683 1.489 -0.147 547 HG LEU 68 HG LEU 68 5.982 3.012 1.151 548 HD11 LEU 68 HD11 LEU 68 2.981 3.273 1.533 549 HD12 LEU 68 HD12 LEU 68 4.046 4.431 0.729 550 HD13 LEU 68 HD13 LEU 68 4.220 4.133 2.456 551 HD21 LEU 68 HD21 LEU 68 5.814 0.767 2.123 552 HD22 LEU 68 HD22 LEU 68 4.089 1.000 2.416 553 HD23 LEU 68 HD23 LEU 68 5.275 1.988 3.274 554 H GLN 69 H GLN 69 6.252 1.098 -3.142 555 HA GLN 69 HA GLN 69 4.251 -0.621 -4.317 556 HB2 GLN 69 HB3 GLN 69 5.111 1.361 -5.534 557 HB3 GLN 69 HB2 GLN 69 6.711 0.627 -5.617 558 HG2 GLN 69 HG3 GLN 69 5.774 -1.222 -6.995 559 HG3 GLN 69 HG2 GLN 69 4.186 -0.459 -6.919 560 HE21 GLN 69 HE21 GLN 69 5.896 -1.089 -9.237 561 HE22 GLN 69 HE22 GLN 69 6.113 0.401 -10.071 562 H ARG 70 H ARG 70 7.718 -0.993 -3.539 563 HA ARG 70 HA ARG 70 8.095 -3.508 -4.826 564 HB2 ARG 70 HB3 ARG 70 9.594 -2.340 -2.450 565 HB3 ARG 70 HB2 ARG 70 10.105 -3.766 -3.356 566 HG2 ARG 70 HG3 ARG 70 10.166 -2.239 -5.428 567 HG3 ARG 70 HG2 ARG 70 10.008 -0.887 -4.304 568 HD2 ARG 70 HD3 ARG 70 12.355 -1.210 -4.831 569 HD3 ARG 70 HD2 ARG 70 12.088 -1.667 -3.141 570 HE ARG 70 HE ARG 70 11.919 -3.857 -5.028 571 HH11 ARG 70 HH11 ARG 70 14.055 -2.150 -2.920 572 HH12 ARG 70 HH12 ARG 70 15.228 -3.414 -2.929 573 HH21 ARG 70 HH21 ARG 70 13.420 -5.447 -5.021 574 HH22 ARG 70 HH22 ARG 70 14.872 -5.255 -4.100 575 H THR 71 H THR 71 6.874 -2.633 -1.645 576 HA THR 71 HA THR 71 6.215 -5.453 -1.024 577 HB THR 71 HB THR 71 7.287 -4.134 0.801 578 HG1 THR 71 HG1 THR 71 5.953 -5.755 1.521 579 HG21 THR 71 HG21 THR 71 6.396 -1.882 0.311 580 HG22 THR 71 HG22 THR 71 6.051 -2.347 1.979 581 HG23 THR 71 HG23 THR 71 4.777 -2.416 0.760 582 H GLY 72 H GLY 72 4.872 -3.794 -3.149 583 HA2 GLY 72 HA3 GLY 72 2.741 -2.244 -2.571 584 HA3 GLY 72 HA2 GLY 72 2.841 -3.228 -4.008 585 H HIS 73 H HIS 73 2.412 -5.823 -2.758 586 HA HIS 73 HA HIS 73 -0.411 -5.892 -2.615 587 HB2 HIS 73 HB2 HIS 73 1.693 -7.933 -1.781 588 HB3 HIS 73 HB1 HIS 73 -0.032 -8.266 -1.616 589 HD1 HIS 73 HD1 HIS 73 2.642 -7.781 -4.223 590 HD2 HIS 73 HD2 HIS 73 -1.374 -8.801 -4.012 591 HE1 HIS 73 HE1 HIS 73 2.041 -8.599 -6.509 592 HE2 HIS 73 HE2 HIS 73 -0.403 -9.128 -6.379 593 H LYS 74 H LYS 74 1.979 -5.741 -0.018 594 HA LYS 74 HA LYS 74 -0.004 -5.361 2.067 595 HB2 LYS 74 HB3 LYS 74 3.027 -5.056 2.076 596 HB3 LYS 74 HB2 LYS 74 2.006 -4.913 3.503 597 HG2 LYS 74 HG3 LYS 74 2.372 -7.411 1.811 598 HG3 LYS 74 HG2 LYS 74 3.090 -7.116 3.399 599 HD2 LYS 74 HD3 LYS 74 0.107 -7.368 2.797 600 HD3 LYS 74 HD2 LYS 74 1.113 -8.601 3.560 601 HE2 LYS 74 HE3 LYS 74 1.468 -7.148 5.505 602 HE3 LYS 74 HE2 LYS 74 0.567 -5.842 4.728 603 HZ1 LYS 74 HZ1 LYS 74 -0.776 -7.029 6.327 604 HZ2 LYS 74 HZ2 LYS 74 -0.545 -8.480 5.495 605 HZ3 LYS 74 HZ3 LYS 74 -1.403 -7.218 4.768 606 H GLY 75 H GLY 75 2.459 -3.338 0.467 607 HA2 GLY 75 HA3 GLY 75 2.241 -0.997 1.926 608 HA3 GLY 75 HA2 GLY 75 2.889 -1.117 0.304 609 H TYR 76 H TYR 76 0.718 -1.673 -1.236 610 HA TYR 76 HA TYR 76 -0.577 0.776 -1.644 611 HB2 TYR 76 HB2 TYR 76 -0.312 -0.924 -3.426 612 HB3 TYR 76 HB1 TYR 76 -1.423 -1.995 -2.591 613 HD1 TYR 76 HD1 TYR 76 -3.644 -2.042 -3.364 614 HD2 TYR 76 HD2 TYR 76 -1.360 1.522 -3.956 615 HE1 TYR 76 HE1 TYR 76 -5.526 -1.041 -4.582 616 HE2 TYR 76 HE2 TYR 76 -3.238 2.514 -5.173 617 HH TYR 76 HH TYR 76 -6.368 1.181 -5.175 618 H VAL 77 H VAL 77 -1.840 -2.201 -0.147 619 HA VAL 77 HA VAL 77 -4.480 -1.342 0.364 620 HB VAL 77 HB VAL 77 -2.825 -3.439 1.849 621 HG11 VAL 77 HG11 VAL 77 -5.850 -3.063 1.824 622 HG12 VAL 77 HG12 VAL 77 -4.779 -2.792 3.201 623 HG13 VAL 77 HG13 VAL 77 -4.993 -4.421 2.560 624 HG21 VAL 77 HG21 VAL 77 -2.997 -3.907 -0.568 625 HG22 VAL 77 HG22 VAL 77 -4.755 -3.770 -0.488 626 HG23 VAL 77 HG23 VAL 77 -3.932 -5.082 0.360 627 H ALA 78 H ALA 78 -1.672 -1.516 2.591 628 HA ALA 78 HA ALA 78 -2.851 -0.260 4.828 629 HB1 ALA 78 HB1 ALA 78 -0.790 -1.602 4.947 630 HB2 ALA 78 HB2 ALA 78 -0.563 -0.011 5.673 631 HB3 ALA 78 HB3 ALA 78 0.084 -0.349 4.063 632 H PHE 79 H PHE 79 -1.224 1.120 2.001 633 HA PHE 79 HA PHE 79 -0.940 3.786 2.973 634 HB2 PHE 79 HB2 PHE 79 0.247 2.750 0.934 635 HB3 PHE 79 HB1 PHE 79 -1.242 3.023 0.038 636 HD1 PHE 79 HD1 PHE 79 -1.232 4.981 -1.291 637 HD2 PHE 79 HD2 PHE 79 1.004 4.956 2.352 638 HE1 PHE 79 HE1 PHE 79 -0.444 7.270 -1.753 639 HE2 PHE 79 HE2 PHE 79 1.781 7.234 1.894 640 HZ PHE 79 HZ PHE 79 1.064 8.400 -0.161 641 H LEU 80 H LEU 80 -3.445 2.236 0.893 642 HA LEU 80 HA LEU 80 -5.230 4.394 0.683 643 HB2 LEU 80 HB3 LEU 80 -5.823 1.415 0.790 644 HB3 LEU 80 HB2 LEU 80 -7.034 2.629 0.401 645 HG LEU 80 HG LEU 80 -4.565 1.960 -1.252 646 HD11 LEU 80 HD11 LEU 80 -6.315 0.266 -1.411 647 HD12 LEU 80 HD12 LEU 80 -6.195 1.165 -2.920 648 HD13 LEU 80 HD13 LEU 80 -7.518 1.500 -1.801 649 HD21 LEU 80 HD21 LEU 80 -5.443 3.561 -2.920 650 HD22 LEU 80 HD22 LEU 80 -5.007 4.362 -1.415 651 HD23 LEU 80 HD23 LEU 80 -6.706 4.055 -1.789 652 H GLU 81 H GLU 81 -5.065 1.847 3.184 653 HA GLU 81 HA GLU 81 -7.219 2.577 4.818 654 HB2 GLU 81 HB3 GLU 81 -4.543 1.333 5.566 655 HB3 GLU 81 HB2 GLU 81 -5.906 1.443 6.677 656 HG2 GLU 81 HG3 GLU 81 -5.931 -0.068 4.044 657 HG3 GLU 81 HG2 GLU 81 -5.636 -0.792 5.622 658 H SER 82 H SER 82 -3.808 3.696 4.983 659 HA SER 82 HA SER 82 -4.141 5.403 7.243 660 HB2 SER 82 HB3 SER 82 -1.933 6.314 6.704 661 HB3 SER 82 HB2 SER 82 -1.913 4.568 6.490 662 HG SER 82 HG SER 82 -1.746 4.808 4.366 663 H LEU 83 H LEU 83 -4.275 6.072 3.729 664 HA LEU 83 HA LEU 83 -4.644 8.893 3.960 665 HB2 LEU 83 HB3 LEU 83 -5.532 7.123 1.656 666 HB3 LEU 83 HB2 LEU 83 -5.335 8.871 1.614 667 HG LEU 83 HG LEU 83 -3.192 6.736 1.692 668 HD11 LEU 83 HD11 LEU 83 -2.360 7.895 -0.303 669 HD12 LEU 83 HD12 LEU 83 -3.698 9.039 -0.198 670 HD13 LEU 83 HD13 LEU 83 -4.018 7.328 -0.501 671 HD21 LEU 83 HD21 LEU 83 -1.473 8.481 1.954 672 HD22 LEU 83 HD22 LEU 83 -2.487 8.332 3.385 673 HD23 LEU 83 HD23 LEU 83 -2.732 9.679 2.269 674 H GLU 84 H GLU 84 -6.875 6.175 3.973 675 HA GLU 84 HA GLU 84 -9.297 7.565 3.557 676 HB2 GLU 84 HB3 GLU 84 -9.015 5.092 3.400 677 HB3 GLU 84 HB2 GLU 84 -8.831 5.010 5.150 678 HG2 GLU 84 HG3 GLU 84 -11.135 5.831 5.436 679 HG3 GLU 84 HG2 GLU 84 -11.316 5.964 3.688 680 H LEU 85 H LEU 85 -7.420 6.922 6.475 681 HA LEU 85 HA LEU 85 -9.374 8.022 8.318 682 HB2 LEU 85 HB3 LEU 85 -6.495 7.166 8.812 683 HB3 LEU 85 HB2 LEU 85 -7.707 7.477 10.049 684 HG LEU 85 HG LEU 85 -7.841 5.219 8.001 685 HD11 LEU 85 HD11 LEU 85 -7.149 5.063 10.949 686 HD12 LEU 85 HD12 LEU 85 -6.030 4.845 9.602 687 HD13 LEU 85 HD13 LEU 85 -7.341 3.693 9.848 688 HD21 LEU 85 HD21 LEU 85 -10.083 5.957 8.673 689 HD22 LEU 85 HD22 LEU 85 -9.657 5.774 10.377 690 HD23 LEU 85 HD23 LEU 85 -9.730 4.358 9.325 691 H TYR 86 H TYR 86 -6.100 8.974 7.193 692 HA TYR 86 HA TYR 86 -6.092 11.412 8.769 693 HB2 TYR 86 HB2 TYR 86 -4.047 10.164 6.895 694 HB3 TYR 86 HB1 TYR 86 -3.786 11.713 7.687 695 HD1 TYR 86 HD1 TYR 86 -3.090 11.820 10.000 696 HD2 TYR 86 HD2 TYR 86 -4.249 8.058 8.336 697 HE1 TYR 86 HE1 TYR 86 -2.189 10.665 11.972 698 HE2 TYR 86 HE2 TYR 86 -3.345 6.904 10.306 699 HH TYR 86 HH TYR 86 -2.509 8.509 13.162 700 H TYR 87 H TYR 87 -6.365 10.649 5.269 701 HA TYR 87 HA TYR 87 -6.994 13.520 4.705 702 HB2 TYR 87 HB2 TYR 87 -5.560 11.636 2.769 703 HB3 TYR 87 HB1 TYR 87 -5.837 13.358 2.557 704 HD1 TYR 87 HD1 TYR 87 -3.717 10.815 4.167 705 HD2 TYR 87 HD2 TYR 87 -4.426 15.019 3.782 706 HE1 TYR 87 HE1 TYR 87 -1.502 11.281 5.131 707 HE2 TYR 87 HE2 TYR 87 -2.209 15.474 4.745 708 HH TYR 87 HH TYR 87 0.158 13.030 5.174 709 HA PRO 88 HA PRO 88 -10.427 10.301 3.628 710 HB2 PRO 88 HB3 PRO 88 -12.213 12.561 4.516 711 HB3 PRO 88 HB2 PRO 88 -12.312 10.832 4.886 712 HG2 PRO 88 HG3 PRO 88 -11.412 12.523 6.729 713 HG3 PRO 88 HG2 PRO 88 -10.612 10.949 6.510 714 HD2 PRO 88 HD3 PRO 88 -9.740 13.674 5.524 715 HD3 PRO 88 HD2 PRO 88 -8.771 12.387 6.278 716 H GLN 89 H GLN 89 -10.662 13.798 2.893 717 HA GLN 89 HA GLN 89 -12.422 13.551 0.664 718 HB2 GLN 89 HB3 GLN 89 -10.555 15.829 1.431 719 HB3 GLN 89 HB2 GLN 89 -11.801 15.932 0.186 720 HG2 GLN 89 HG3 GLN 89 -13.533 15.478 1.921 721 HG3 GLN 89 HG2 GLN 89 -12.272 15.460 3.152 722 HE21 GLN 89 HE21 GLN 89 -11.257 17.435 3.701 723 HE22 GLN 89 HE22 GLN 89 -11.951 18.960 3.303 724 H LEU 90 H LEU 90 -8.872 13.896 0.882 725 HA LEU 90 HA LEU 90 -8.366 13.988 -1.917 726 HB2 LEU 90 HB3 LEU 90 -6.746 14.763 -0.167 727 HB3 LEU 90 HB2 LEU 90 -6.471 13.090 0.293 728 HG LEU 90 HG LEU 90 -5.543 12.626 -1.990 729 HD11 LEU 90 HD11 LEU 90 -5.920 15.590 -2.482 730 HD12 LEU 90 HD12 LEU 90 -6.799 14.276 -3.273 731 HD13 LEU 90 HD13 LEU 90 -5.068 14.458 -3.533 732 HD21 LEU 90 HD21 LEU 90 -3.421 13.822 -1.726 733 HD22 LEU 90 HD22 LEU 90 -4.002 13.232 -0.169 734 HD23 LEU 90 HD23 LEU 90 -4.171 14.940 -0.583 735 H TYR 91 H TYR 91 -8.276 11.337 0.441 736 HA TYR 91 HA TYR 91 -7.630 9.145 -1.128 737 HB2 TYR 91 HB2 TYR 91 -7.838 8.889 1.263 738 HB3 TYR 91 HB1 TYR 91 -9.520 9.406 1.246 739 HD1 TYR 91 HD1 TYR 91 -11.287 7.791 0.947 740 HD2 TYR 91 HD2 TYR 91 -7.235 6.610 0.237 741 HE1 TYR 91 HE1 TYR 91 -12.004 5.453 0.758 742 HE2 TYR 91 HE2 TYR 91 -7.969 4.268 0.056 743 HH TYR 91 HH TYR 91 -9.868 2.863 0.832 744 H LYS 92 H LYS 92 -10.893 10.466 -0.486 745 HA LYS 92 HA LYS 92 -12.417 8.823 -2.164 746 HB2 LYS 92 HB3 LYS 92 -13.345 10.339 -0.436 747 HB3 LYS 92 HB2 LYS 92 -12.885 11.735 -1.404 748 HG2 LYS 92 HG3 LYS 92 -14.482 11.072 -3.159 749 HG3 LYS 92 HG2 LYS 92 -14.916 9.628 -2.237 750 HD2 LYS 92 HD3 LYS 92 -15.361 12.512 -1.349 751 HD3 LYS 92 HD2 LYS 92 -16.603 11.420 -1.971 752 HE2 LYS 92 HE3 LYS 92 -15.025 11.055 0.606 753 HE3 LYS 92 HE2 LYS 92 -16.713 11.552 0.476 754 HZ1 LYS 92 HZ1 LYS 92 -16.591 9.235 1.005 755 HZ2 LYS 92 HZ2 LYS 92 -15.584 8.923 -0.314 756 HZ3 LYS 92 HZ3 LYS 92 -17.186 9.392 -0.571 757 H LYS 93 H LYS 93 -10.767 11.894 -2.900 758 HA LYS 93 HA LYS 93 -11.725 12.262 -5.543 759 HB2 LYS 93 HB3 LYS 93 -10.716 14.035 -4.124 760 HB3 LYS 93 HB2 LYS 93 -9.143 13.260 -4.276 761 HG2 LYS 93 HG3 LYS 93 -9.162 13.694 -6.708 762 HG3 LYS 93 HG2 LYS 93 -10.748 14.456 -6.563 763 HD2 LYS 93 HD3 LYS 93 -8.149 15.436 -5.303 764 HD3 LYS 93 HD2 LYS 93 -8.971 16.161 -6.686 765 HE2 LYS 93 HE3 LYS 93 -10.024 16.027 -3.835 766 HE3 LYS 93 HE2 LYS 93 -9.403 17.459 -4.652 767 HZ1 LYS 93 HZ1 LYS 93 -11.853 15.952 -5.391 768 HZ2 LYS 93 HZ2 LYS 93 -11.243 17.286 -6.227 769 HZ3 LYS 93 HZ3 LYS 93 -11.792 17.467 -4.639 770 H VAL 94 H VAL 94 -8.832 10.574 -4.309 771 HA VAL 94 HA VAL 94 -7.748 10.161 -6.992 772 HB VAL 94 HB VAL 94 -5.767 9.228 -5.920 773 HG11 VAL 94 HG11 VAL 94 -5.047 11.214 -4.625 774 HG12 VAL 94 HG12 VAL 94 -6.722 11.744 -4.482 775 HG13 VAL 94 HG13 VAL 94 -5.948 11.683 -6.066 776 HG21 VAL 94 HG21 VAL 94 -6.792 7.940 -4.084 777 HG22 VAL 94 HG22 VAL 94 -7.271 9.429 -3.270 778 HG23 VAL 94 HG23 VAL 94 -5.559 9.030 -3.439 779 H THR 95 H THR 95 -9.698 8.297 -4.791 780 HA THR 95 HA THR 95 -9.177 5.771 -6.259 781 HB THR 95 HB THR 95 -10.506 4.633 -4.507 782 HG1 THR 95 HG1 THR 95 -10.618 6.836 -2.818 783 HG21 THR 95 HG21 THR 95 -8.979 4.964 -2.583 784 HG22 THR 95 HG22 THR 95 -8.362 6.444 -3.317 785 HG23 THR 95 HG23 THR 95 -8.079 4.888 -4.102 786 H GLY 96 H GLY 96 -11.605 8.257 -5.858 787 HA2 GLY 96 HA3 GLY 96 -13.614 6.718 -7.443 788 HA3 GLY 96 HA2 GLY 96 -13.970 8.076 -6.382 789 H LYS 97 H LYS 97 -14.585 7.655 -9.281 790 HA LYS 97 HA LYS 97 -12.993 9.366 -10.914 791 HB2 LYS 97 HB3 LYS 97 -15.881 8.452 -11.276 792 HB3 LYS 97 HB2 LYS 97 -14.939 9.273 -12.518 793 HG2 LYS 97 HG3 LYS 97 -14.305 6.559 -11.308 794 HG3 LYS 97 HG2 LYS 97 -15.042 6.842 -12.890 795 HD2 LYS 97 HD3 LYS 97 -12.965 8.065 -13.589 796 HD3 LYS 97 HD2 LYS 97 -12.237 7.670 -12.029 797 HE2 LYS 97 HE3 LYS 97 -13.162 5.643 -14.095 798 HE3 LYS 97 HE2 LYS 97 -11.492 6.144 -13.834 799 HZ1 LYS 97 HZ1 LYS 97 -13.225 4.763 -11.855 800 HZ2 LYS 97 HZ2 LYS 97 -11.637 5.270 -11.575 801 HZ3 LYS 97 HZ3 LYS 97 -11.949 4.072 -12.722 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -17.606 -1.524 -12.030 2 H2 MET 1 HT2 MET 1 -16.200 -2.360 -12.446 3 H3 MET 1 HT3 MET 1 -16.324 -0.707 -12.769 4 HA MET 1 HA MET 1 -16.421 -0.216 -10.424 5 HB2 MET 1 HB2 MET 1 -17.452 -2.255 -9.606 6 HB3 MET 1 HB1 MET 1 -16.108 -3.236 -10.172 7 HG2 MET 1 HG2 MET 1 -16.114 -2.934 -7.718 8 HG3 MET 1 HG1 MET 1 -14.646 -2.317 -8.480 9 HE1 MET 1 HE1 MET 1 -15.339 -1.547 -5.503 10 HE2 MET 1 HE2 MET 1 -15.034 0.190 -5.526 11 HE3 MET 1 HE3 MET 1 -13.948 -0.901 -6.383 12 H SER 2 H SER 2 -14.473 0.455 -9.429 13 HA SER 2 HA SER 2 -12.011 0.124 -10.884 14 HB2 SER 2 HB3 SER 2 -12.588 1.501 -8.226 15 HB3 SER 2 HB2 SER 2 -11.014 1.519 -9.024 16 HG SER 2 HG SER 2 -11.718 3.071 -10.208 17 H ASP 3 H ASP 3 -12.008 -2.251 -10.712 18 HA ASP 3 HA ASP 3 -10.789 -3.313 -8.235 19 HB2 ASP 3 HB3 ASP 3 -11.174 -5.536 -9.246 20 HB3 ASP 3 HB2 ASP 3 -12.669 -4.612 -9.193 21 H TYR 4 H TYR 4 -9.120 -5.226 -9.099 22 HA TYR 4 HA TYR 4 -7.386 -4.319 -11.249 23 HB2 TYR 4 HB2 TYR 4 -5.354 -4.106 -9.871 24 HB3 TYR 4 HB1 TYR 4 -6.574 -2.948 -9.369 25 HD1 TYR 4 HD1 TYR 4 -4.620 -5.891 -8.339 26 HD2 TYR 4 HD2 TYR 4 -7.710 -3.197 -7.136 27 HE1 TYR 4 HE1 TYR 4 -4.370 -6.648 -6.022 28 HE2 TYR 4 HE2 TYR 4 -7.457 -3.964 -4.807 29 HH TYR 4 HH TYR 4 -4.803 -5.876 -3.781 30 H GLU 5 H GLU 5 -5.929 -5.880 -11.977 31 HA GLU 5 HA GLU 5 -6.179 -8.621 -10.959 32 HB2 GLU 5 HB3 GLU 5 -6.182 -8.249 -13.404 33 HB3 GLU 5 HB2 GLU 5 -4.614 -7.451 -13.304 34 HG2 GLU 5 HG3 GLU 5 -3.603 -9.593 -12.536 35 HG3 GLU 5 HG2 GLU 5 -5.177 -10.376 -12.711 36 H ASN 6 H ASN 6 -3.769 -6.062 -11.380 37 HA ASN 6 HA ASN 6 -1.795 -7.477 -9.660 38 HB2 ASN 6 HB3 ASN 6 -1.256 -5.249 -11.685 39 HB3 ASN 6 HB2 ASN 6 -0.063 -6.241 -10.851 40 HD21 ASN 6 HD21 ASN 6 -2.539 -6.226 -13.329 41 HD22 ASN 6 HD22 ASN 6 -2.013 -7.660 -14.138 42 H ASP 7 H ASP 7 -0.899 -6.340 -7.887 43 HA ASP 7 HA ASP 7 -2.381 -4.159 -6.766 44 HB2 ASP 7 HB3 ASP 7 -0.561 -4.170 -4.995 45 HB3 ASP 7 HB2 ASP 7 -1.375 -5.710 -5.239 46 H ASP 8 H ASP 8 0.814 -4.355 -8.324 47 HA ASP 8 HA ASP 8 1.642 -1.672 -8.052 48 HB2 ASP 8 HB3 ASP 8 3.264 -2.215 -9.838 49 HB3 ASP 8 HB2 ASP 8 3.181 -3.490 -8.632 50 H GLU 9 H GLU 9 -0.486 -3.211 -10.368 51 HA GLU 9 HA GLU 9 -0.869 -1.260 -12.341 52 HB2 GLU 9 HB3 GLU 9 -1.803 -3.525 -12.428 53 HB3 GLU 9 HB2 GLU 9 -2.800 -3.205 -11.023 54 HG2 GLU 9 HG3 GLU 9 -3.981 -1.449 -12.447 55 HG3 GLU 9 HG2 GLU 9 -3.149 -2.157 -13.830 56 H CYS 10 H CYS 10 -2.512 -1.646 -9.185 57 HA CYS 10 HA CYS 10 -4.061 0.765 -9.353 58 HB2 CYS 10 HB3 CYS 10 -3.491 -1.197 -7.140 59 HB3 CYS 10 HB2 CYS 10 -4.318 0.318 -6.796 60 HG CYS 10 HG CYS 10 -6.580 -0.793 -7.179 61 H TRP 11 H TRP 11 -0.873 0.021 -7.947 62 HA TRP 11 HA TRP 11 -0.372 2.531 -6.726 63 HB2 TRP 11 HB2 TRP 11 1.472 0.436 -7.910 64 HB3 TRP 11 HB1 TRP 11 2.124 1.963 -7.325 65 HD1 TRP 11 HD1 TRP 11 0.770 -1.364 -6.071 66 HE1 TRP 11 HE1 TRP 11 1.104 -1.473 -3.536 67 HE3 TRP 11 HE3 TRP 11 2.178 3.481 -5.193 68 HZ2 TRP 11 HZ2 TRP 11 1.865 0.224 -1.438 69 HZ3 TRP 11 HZ3 TRP 11 2.685 4.153 -2.880 70 HH2 TRP 11 HH2 TRP 11 2.529 2.556 -1.040 71 H SER 12 H SER 12 -0.156 1.479 -10.098 72 HA SER 12 HA SER 12 1.073 3.813 -11.178 73 HB2 SER 12 HB3 SER 12 1.008 1.696 -12.443 74 HB3 SER 12 HB2 SER 12 -0.748 1.785 -12.540 75 HG SER 12 HG SER 12 -0.607 3.261 -14.068 76 H VAL 13 H VAL 13 -2.322 2.932 -10.593 77 HA VAL 13 HA VAL 13 -3.593 5.166 -11.788 78 HB VAL 13 HB VAL 13 -4.538 3.578 -9.350 79 HG11 VAL 13 HG11 VAL 13 -6.828 4.314 -9.980 80 HG12 VAL 13 HG12 VAL 13 -6.153 5.321 -11.262 81 HG13 VAL 13 HG13 VAL 13 -5.791 5.682 -9.574 82 HG21 VAL 13 HG21 VAL 13 -5.842 2.207 -10.952 83 HG22 VAL 13 HG22 VAL 13 -4.110 2.087 -11.261 84 HG23 VAL 13 HG23 VAL 13 -5.122 3.091 -12.302 85 H LEU 14 H LEU 14 -2.576 4.620 -8.392 86 HA LEU 14 HA LEU 14 -3.153 7.219 -7.404 87 HB2 LEU 14 HB3 LEU 14 -1.139 5.186 -6.362 88 HB3 LEU 14 HB2 LEU 14 -1.699 6.601 -5.479 89 HG LEU 14 HG LEU 14 -3.355 4.165 -6.247 90 HD11 LEU 14 HD11 LEU 14 -1.848 3.775 -4.365 91 HD12 LEU 14 HD12 LEU 14 -3.527 3.784 -3.831 92 HD13 LEU 14 HD13 LEU 14 -2.497 5.185 -3.520 93 HD21 LEU 14 HD21 LEU 14 -5.233 5.210 -5.021 94 HD22 LEU 14 HD22 LEU 14 -4.782 6.137 -6.446 95 HD23 LEU 14 HD23 LEU 14 -4.295 6.697 -4.844 96 H GLU 15 H GLU 15 -0.309 5.879 -9.013 97 HA GLU 15 HA GLU 15 1.477 8.047 -8.439 98 HB2 GLU 15 HB3 GLU 15 2.075 5.614 -9.134 99 HB3 GLU 15 HB2 GLU 15 1.779 6.144 -10.784 100 HG2 GLU 15 HG3 GLU 15 3.531 7.910 -10.461 101 HG3 GLU 15 HG2 GLU 15 3.866 7.239 -8.871 102 H GLY 16 H GLY 16 -0.946 7.455 -10.896 103 HA2 GLY 16 HA3 GLY 16 -0.475 9.591 -12.672 104 HA3 GLY 16 HA2 GLY 16 -2.051 8.924 -12.276 105 H PHE 17 H PHE 17 -1.601 9.576 -9.380 106 HA PHE 17 HA PHE 17 -2.115 12.495 -9.369 107 HB2 PHE 17 HB2 PHE 17 -2.727 10.385 -7.238 108 HB3 PHE 17 HB1 PHE 17 -3.138 12.092 -7.127 109 HD1 PHE 17 HD1 PHE 17 -3.956 8.893 -8.800 110 HD2 PHE 17 HD2 PHE 17 -5.064 12.990 -8.296 111 HE1 PHE 17 HE1 PHE 17 -6.133 8.440 -9.855 112 HE2 PHE 17 HE2 PHE 17 -7.236 12.529 -9.349 113 HZ PHE 17 HZ PHE 17 -7.773 10.258 -10.131 114 H ARG 18 H ARG 18 0.645 10.995 -9.377 115 HA ARG 18 HA ARG 18 1.869 10.825 -6.913 116 HB2 ARG 18 HB3 ARG 18 2.973 10.121 -9.035 117 HB3 ARG 18 HB2 ARG 18 3.238 11.811 -9.451 118 HG2 ARG 18 HG3 ARG 18 4.590 11.979 -7.259 119 HG3 ARG 18 HG2 ARG 18 4.512 10.218 -7.209 120 HD2 ARG 18 HD3 ARG 18 5.685 11.808 -9.515 121 HD3 ARG 18 HD2 ARG 18 6.633 11.163 -8.175 122 HE ARG 18 HE ARG 18 5.078 9.420 -10.000 123 HH11 ARG 18 HH11 ARG 18 8.047 10.093 -8.334 124 HH12 ARG 18 HH12 ARG 18 8.839 8.703 -8.989 125 HH21 ARG 18 HH21 ARG 18 6.171 7.677 -10.867 126 HH22 ARG 18 HH22 ARG 18 7.805 7.375 -10.394 127 H VAL 19 H VAL 19 1.696 13.789 -8.917 128 HA VAL 19 HA VAL 19 3.252 15.511 -7.356 129 HB VAL 19 HB VAL 19 0.837 16.242 -9.075 130 HG11 VAL 19 HG11 VAL 19 3.078 18.041 -8.061 131 HG12 VAL 19 HG12 VAL 19 1.386 18.101 -7.566 132 HG13 VAL 19 HG13 VAL 19 1.832 18.516 -9.220 133 HG21 VAL 19 HG21 VAL 19 3.796 16.147 -9.801 134 HG22 VAL 19 HG22 VAL 19 2.499 16.713 -10.857 135 HG23 VAL 19 HG23 VAL 19 2.550 15.023 -10.354 136 H THR 20 H THR 20 -0.264 14.886 -7.163 137 HA THR 20 HA THR 20 -0.842 16.715 -5.052 138 HB THR 20 HB THR 20 -2.454 14.230 -5.801 139 HG1 THR 20 HG1 THR 20 -3.473 15.522 -7.319 140 HG21 THR 20 HG21 THR 20 -4.394 15.542 -4.980 141 HG22 THR 20 HG22 THR 20 -3.321 16.863 -4.521 142 HG23 THR 20 HG23 THR 20 -3.205 15.308 -3.694 143 H LEU 21 H LEU 21 -0.263 13.175 -5.075 144 HA LEU 21 HA LEU 21 -0.634 12.599 -2.353 145 HB2 LEU 21 HB3 LEU 21 1.326 11.257 -4.256 146 HB3 LEU 21 HB2 LEU 21 0.805 10.603 -2.711 147 HG LEU 21 HG LEU 21 -0.865 10.917 -5.235 148 HD11 LEU 21 HD11 LEU 21 -1.026 8.469 -5.142 149 HD12 LEU 21 HD12 LEU 21 -0.017 8.441 -3.693 150 HD13 LEU 21 HD13 LEU 21 0.655 8.994 -5.229 151 HD21 LEU 21 HD21 LEU 21 -2.750 9.916 -4.003 152 HD22 LEU 21 HD22 LEU 21 -2.298 11.477 -3.327 153 HD23 LEU 21 HD23 LEU 21 -1.822 9.990 -2.501 154 H THR 22 H THR 22 2.353 13.503 -4.078 155 HA THR 22 HA THR 22 4.088 13.274 -1.834 156 HB THR 22 HB THR 22 5.785 14.442 -3.254 157 HG1 THR 22 HG1 THR 22 4.058 14.406 -5.461 158 HG21 THR 22 HG21 THR 22 4.289 12.219 -4.699 159 HG22 THR 22 HG22 THR 22 5.525 11.992 -3.459 160 HG23 THR 22 HG23 THR 22 5.956 12.713 -5.011 161 H SER 23 H SER 23 2.416 16.020 -3.334 162 HA SER 23 HA SER 23 3.747 18.064 -1.847 163 HB2 SER 23 HB3 SER 23 2.669 18.490 -4.044 164 HB3 SER 23 HB2 SER 23 1.086 18.215 -3.320 165 HG SER 23 HG SER 23 1.456 20.412 -3.350 166 H VAL 24 H VAL 24 0.586 16.429 -1.429 167 HA VAL 24 HA VAL 24 -0.048 18.057 0.947 168 HB VAL 24 HB VAL 24 -1.756 15.907 -0.381 169 HG11 VAL 24 HG11 VAL 24 -2.542 18.077 1.612 170 HG12 VAL 24 HG12 VAL 24 -2.426 16.350 1.951 171 HG13 VAL 24 HG13 VAL 24 -3.653 16.944 0.832 172 HG21 VAL 24 HG21 VAL 24 -1.270 17.724 -1.978 173 HG22 VAL 24 HG22 VAL 24 -1.836 18.925 -0.814 174 HG23 VAL 24 HG23 VAL 24 -2.967 17.755 -1.498 175 H ILE 25 H ILE 25 0.112 14.543 0.157 176 HA ILE 25 HA ILE 25 0.039 13.753 2.961 177 HB ILE 25 HB ILE 25 0.570 11.988 0.520 178 HG12 ILE 25 HG12 ILE 25 -2.129 12.397 1.875 179 HG13 ILE 25 HG11 ILE 25 -1.631 13.297 0.446 180 HG21 ILE 25 HG21 ILE 25 -0.189 10.106 1.941 181 HG22 ILE 25 HG22 ILE 25 -0.369 11.207 3.309 182 HG23 ILE 25 HG23 ILE 25 1.229 10.900 2.630 183 HD11 ILE 25 HD11 ILE 25 -3.074 11.414 -0.090 184 HD12 ILE 25 HD12 ILE 25 -1.894 10.299 0.596 185 HD13 ILE 25 HD13 ILE 25 -1.485 11.254 -0.830 186 H ASP 26 H ASP 26 1.761 12.866 4.130 187 HA ASP 26 HA ASP 26 4.380 12.543 2.858 188 HB2 ASP 26 HB3 ASP 26 5.547 13.768 4.597 189 HB3 ASP 26 HB2 ASP 26 4.359 14.818 3.842 190 HA PRO 27 HA PRO 27 4.471 8.752 5.120 191 HB2 PRO 27 HB3 PRO 27 7.379 8.941 5.651 192 HB3 PRO 27 HB2 PRO 27 6.512 7.834 4.586 193 HG2 PRO 27 HG3 PRO 27 8.102 9.841 3.650 194 HG3 PRO 27 HG2 PRO 27 6.690 9.236 2.756 195 HD2 PRO 27 HD3 PRO 27 6.966 11.719 4.432 196 HD3 PRO 27 HD2 PRO 27 6.112 11.484 2.893 197 H SER 28 H SER 28 6.301 11.417 6.625 198 HA SER 28 HA SER 28 6.641 10.183 9.172 199 HB2 SER 28 HB3 SER 28 7.508 12.440 9.859 200 HB3 SER 28 HB2 SER 28 8.259 11.792 8.400 201 HG SER 28 HG SER 28 6.070 13.590 8.288 202 H ARG 29 H ARG 29 3.993 11.974 7.854 203 HA ARG 29 HA ARG 29 2.633 12.640 10.288 204 HB2 ARG 29 HB3 ARG 29 2.011 13.703 8.171 205 HB3 ARG 29 HB2 ARG 29 1.635 12.149 7.443 206 HG2 ARG 29 HG3 ARG 29 -0.412 13.369 7.985 207 HG3 ARG 29 HG2 ARG 29 -0.307 11.892 8.947 208 HD2 ARG 29 HD3 ARG 29 0.519 13.243 10.876 209 HD3 ARG 29 HD2 ARG 29 0.325 14.708 9.906 210 HE ARG 29 HE ARG 29 -2.138 13.846 9.776 211 HH11 ARG 29 HH11 ARG 29 -0.112 13.733 12.587 212 HH12 ARG 29 HH12 ARG 29 -1.451 13.862 13.667 213 HH21 ARG 29 HH21 ARG 29 -3.815 13.987 11.202 214 HH22 ARG 29 HH22 ARG 29 -3.510 13.990 12.903 215 H ILE 30 H ILE 30 2.695 9.814 8.181 216 HA ILE 30 HA ILE 30 0.777 8.338 9.917 217 HB ILE 30 HB ILE 30 0.252 7.000 7.811 218 HG12 ILE 30 HG12 ILE 30 1.841 9.231 6.436 219 HG13 ILE 30 HG11 ILE 30 2.317 7.542 6.522 220 HG21 ILE 30 HG21 ILE 30 -1.260 8.695 6.858 221 HG22 ILE 30 HG22 ILE 30 -0.383 9.972 7.702 222 HG23 ILE 30 HG23 ILE 30 -1.267 8.750 8.623 223 HD11 ILE 30 HD11 ILE 30 -0.058 8.653 5.038 224 HD12 ILE 30 HD12 ILE 30 0.370 6.944 5.147 225 HD13 ILE 30 HD13 ILE 30 1.455 8.076 4.341 226 H THR 31 H THR 31 3.940 8.488 9.770 227 HA THR 31 HA THR 31 4.987 6.025 9.005 228 HB THR 31 HB THR 31 6.745 6.599 11.016 229 HG1 THR 31 HG1 THR 31 6.619 8.581 11.729 230 HG21 THR 31 HG21 THR 31 8.026 7.975 9.435 231 HG22 THR 31 HG22 THR 31 6.588 8.189 8.437 232 HG23 THR 31 HG23 THR 31 7.308 6.590 8.609 233 HA PRO 32 HA PRO 32 4.263 4.189 13.533 234 HB2 PRO 32 HB3 PRO 32 2.010 5.206 14.840 235 HB3 PRO 32 HB2 PRO 32 3.679 5.670 15.194 236 HG2 PRO 32 HG3 PRO 32 1.647 7.075 13.468 237 HG3 PRO 32 HG2 PRO 32 2.805 7.759 14.627 238 HD2 PRO 32 HD3 PRO 32 3.272 7.856 11.987 239 HD3 PRO 32 HD2 PRO 32 4.597 7.604 13.143 240 H TYR 33 H TYR 33 1.648 5.342 11.436 241 HA TYR 33 HA TYR 33 -0.040 3.033 11.807 242 HB2 TYR 33 HB2 TYR 33 -0.860 5.380 11.154 243 HB3 TYR 33 HB1 TYR 33 -0.249 5.054 9.533 244 HD1 TYR 33 HD1 TYR 33 -1.448 3.508 8.040 245 HD2 TYR 33 HD2 TYR 33 -2.739 4.050 12.075 246 HE1 TYR 33 HE1 TYR 33 -3.506 2.250 7.555 247 HE2 TYR 33 HE2 TYR 33 -4.804 2.817 11.582 248 HH TYR 33 HH TYR 33 -5.218 0.974 8.758 249 H LEU 34 H LEU 34 2.386 4.054 9.442 250 HA LEU 34 HA LEU 34 1.907 1.998 7.512 251 HB2 LEU 34 HB3 LEU 34 4.311 3.801 7.964 252 HB3 LEU 34 HB2 LEU 34 4.173 2.695 6.606 253 HG LEU 34 HG LEU 34 2.336 5.070 7.132 254 HD11 LEU 34 HD11 LEU 34 4.512 4.751 5.039 255 HD12 LEU 34 HD12 LEU 34 4.573 5.797 6.459 256 HD13 LEU 34 HD13 LEU 34 3.401 6.118 5.184 257 HD21 LEU 34 HD21 LEU 34 1.393 4.624 4.892 258 HD22 LEU 34 HD22 LEU 34 1.112 3.280 5.998 259 HD23 LEU 34 HD23 LEU 34 2.373 3.157 4.768 260 H ARG 35 H ARG 35 4.206 2.302 10.272 261 HA ARG 35 HA ARG 35 5.225 -0.388 9.917 262 HB2 ARG 35 HB3 ARG 35 6.353 -0.159 12.042 263 HB3 ARG 35 HB2 ARG 35 6.610 1.280 11.067 264 HG2 ARG 35 HG3 ARG 35 5.306 2.639 12.459 265 HG3 ARG 35 HG2 ARG 35 4.410 1.276 13.133 266 HD2 ARG 35 HD3 ARG 35 6.011 2.276 14.749 267 HD3 ARG 35 HD2 ARG 35 6.330 0.569 14.427 268 HE ARG 35 HE ARG 35 7.843 2.627 12.969 269 HH11 ARG 35 HH11 ARG 35 7.888 0.052 15.290 270 HH12 ARG 35 HH12 ARG 35 9.611 -0.054 15.275 271 HH21 ARG 35 HH21 ARG 35 10.021 2.468 12.987 272 HH22 ARG 35 HH22 ARG 35 10.799 1.294 13.992 273 H GLN 36 H GLN 36 2.554 1.029 11.815 274 HA GLN 36 HA GLN 36 1.780 -1.126 13.417 275 HB2 GLN 36 HB3 GLN 36 0.703 1.076 13.535 276 HB3 GLN 36 HB2 GLN 36 0.036 0.874 11.925 277 HG2 GLN 36 HG3 GLN 36 -1.382 -0.979 12.760 278 HG3 GLN 36 HG2 GLN 36 -0.735 -0.727 14.379 279 HE21 GLN 36 HE21 GLN 36 -0.747 2.210 14.165 280 HE22 GLN 36 HE22 GLN 36 -2.398 2.683 14.254 281 H CYS 37 H CYS 37 0.934 -0.518 10.006 282 HA CYS 37 HA CYS 37 -0.468 -3.049 9.696 283 HB2 CYS 37 HB3 CYS 37 -1.195 -0.974 8.505 284 HB3 CYS 37 HB2 CYS 37 0.295 -1.020 7.565 285 HG CYS 37 HG CYS 37 -0.291 -3.405 6.282 286 H LYS 38 H LYS 38 2.718 -2.398 9.955 287 HA LYS 38 HA LYS 38 4.644 -3.488 9.596 288 HB2 LYS 38 HB3 LYS 38 2.910 -5.835 8.714 289 HB3 LYS 38 HB2 LYS 38 4.589 -5.926 9.234 290 HG2 LYS 38 HG3 LYS 38 2.188 -5.206 10.954 291 HG3 LYS 38 HG2 LYS 38 3.121 -6.703 11.012 292 HD2 LYS 38 HD3 LYS 38 4.163 -3.932 11.739 293 HD3 LYS 38 HD2 LYS 38 3.670 -5.177 12.886 294 HE2 LYS 38 HE3 LYS 38 5.979 -5.418 10.921 295 HE3 LYS 38 HE2 LYS 38 6.131 -5.045 12.638 296 HZ1 LYS 38 HZ1 LYS 38 5.057 -7.557 11.479 297 HZ2 LYS 38 HZ2 LYS 38 5.113 -7.197 13.129 298 HZ3 LYS 38 HZ3 LYS 38 6.548 -7.362 12.252 299 H VAL 39 H VAL 39 3.542 -1.925 7.318 300 HA VAL 39 HA VAL 39 4.625 -3.388 4.987 301 HB VAL 39 HB VAL 39 3.532 -1.764 3.534 302 HG11 VAL 39 HG11 VAL 39 1.188 -2.363 4.015 303 HG12 VAL 39 HG12 VAL 39 1.632 -2.828 5.660 304 HG13 VAL 39 HG13 VAL 39 2.269 -3.733 4.286 305 HG21 VAL 39 HG21 VAL 39 2.550 -0.357 6.055 306 HG22 VAL 39 HG22 VAL 39 2.034 0.017 4.407 307 HG23 VAL 39 HG23 VAL 39 3.709 0.283 4.888 308 H LEU 40 H LEU 40 5.168 -0.370 6.822 309 HA LEU 40 HA LEU 40 7.427 0.362 5.094 310 HB2 LEU 40 HB3 LEU 40 5.878 2.128 5.903 311 HB3 LEU 40 HB2 LEU 40 6.338 1.767 7.558 312 HG LEU 40 HG LEU 40 8.639 2.544 7.127 313 HD11 LEU 40 HD11 LEU 40 7.717 3.166 4.302 314 HD12 LEU 40 HD12 LEU 40 8.885 1.930 4.777 315 HD13 LEU 40 HD13 LEU 40 9.266 3.632 5.013 316 HD21 LEU 40 HD21 LEU 40 6.978 4.181 7.911 317 HD22 LEU 40 HD22 LEU 40 6.572 4.589 6.241 318 HD23 LEU 40 HD23 LEU 40 8.183 4.940 6.872 319 H ASN 41 H ASN 41 9.466 -0.140 5.513 320 HA ASN 41 HA ASN 41 10.175 -1.803 7.777 321 HB2 ASN 41 HB3 ASN 41 11.841 -0.772 5.444 322 HB3 ASN 41 HB2 ASN 41 12.376 -1.983 6.604 323 HD21 ASN 41 HD21 ASN 41 11.404 -4.056 6.551 324 HD22 ASN 41 HD22 ASN 41 10.562 -4.618 5.154 325 HA PRO 42 HA PRO 42 11.762 1.050 10.791 326 HB2 PRO 42 HB3 PRO 42 14.368 -0.064 11.214 327 HB3 PRO 42 HB2 PRO 42 12.887 -0.462 12.088 328 HG2 PRO 42 HG3 PRO 42 14.134 -1.843 9.725 329 HG3 PRO 42 HG2 PRO 42 13.330 -2.551 11.144 330 HD2 PRO 42 HD3 PRO 42 12.049 -2.462 8.828 331 HD3 PRO 42 HD2 PRO 42 11.168 -2.037 10.315 332 H ASP 43 H ASP 43 14.529 0.271 8.589 333 HA ASP 43 HA ASP 43 15.855 2.763 8.892 334 HB2 ASP 43 HB3 ASP 43 16.087 0.701 6.662 335 HB3 ASP 43 HB2 ASP 43 17.233 2.012 6.948 336 H ASP 44 H ASP 44 13.567 1.598 6.449 337 HA ASP 44 HA ASP 44 13.663 3.867 4.715 338 HB2 ASP 44 HB3 ASP 44 11.535 1.708 5.018 339 HB3 ASP 44 HB2 ASP 44 11.599 2.878 3.697 340 H GLU 45 H GLU 45 11.883 3.175 7.617 341 HA GLU 45 HA GLU 45 10.126 5.446 7.488 342 HB2 GLU 45 HB3 GLU 45 9.657 3.431 8.862 343 HB3 GLU 45 HB2 GLU 45 11.064 3.782 9.865 344 HG2 GLU 45 HG3 GLU 45 10.032 5.851 10.631 345 HG3 GLU 45 HG2 GLU 45 8.653 5.592 9.574 346 H GLU 46 H GLU 46 13.221 4.752 9.136 347 HA GLU 46 HA GLU 46 13.502 7.170 10.573 348 HB2 GLU 46 HB3 GLU 46 15.532 5.072 9.739 349 HB3 GLU 46 HB2 GLU 46 15.958 6.438 10.770 350 HG2 GLU 46 HG3 GLU 46 14.408 5.694 12.484 351 HG3 GLU 46 HG2 GLU 46 13.813 4.402 11.445 352 H GLN 47 H GLN 47 14.559 6.331 7.286 353 HA GLN 47 HA GLN 47 16.262 8.543 6.846 354 HB2 GLN 47 HB3 GLN 47 16.020 8.125 4.441 355 HB3 GLN 47 HB2 GLN 47 16.280 6.625 5.322 356 HG2 GLN 47 HG3 GLN 47 13.904 6.072 5.136 357 HG3 GLN 47 HG2 GLN 47 13.592 7.603 4.322 358 HE21 GLN 47 HE21 GLN 47 15.064 4.438 3.996 359 HE22 GLN 47 HE22 GLN 47 15.160 4.455 2.274 360 H VAL 48 H VAL 48 12.740 8.253 6.628 361 HA VAL 48 HA VAL 48 12.358 10.956 5.626 362 HB VAL 48 HB VAL 48 10.292 9.085 6.868 363 HG11 VAL 48 HG11 VAL 48 9.904 11.589 5.168 364 HG12 VAL 48 HG12 VAL 48 9.576 11.444 6.895 365 HG13 VAL 48 HG13 VAL 48 8.617 10.524 5.742 366 HG21 VAL 48 HG21 VAL 48 9.652 8.501 4.545 367 HG22 VAL 48 HG22 VAL 48 11.322 8.046 4.881 368 HG23 VAL 48 HG23 VAL 48 10.978 9.488 3.922 369 H LEU 49 H LEU 49 12.107 9.286 8.789 370 HA LEU 49 HA LEU 49 11.266 11.541 10.322 371 HB2 LEU 49 HB3 LEU 49 12.758 9.058 11.242 372 HB3 LEU 49 HB2 LEU 49 11.974 10.217 12.309 373 HG LEU 49 HG LEU 49 10.586 8.387 10.307 374 HD11 LEU 49 HD11 LEU 49 9.604 7.301 12.271 375 HD12 LEU 49 HD12 LEU 49 10.532 8.359 13.339 376 HD13 LEU 49 HD13 LEU 49 11.365 7.203 12.296 377 HD21 LEU 49 HD21 LEU 49 8.453 9.263 11.185 378 HD22 LEU 49 HD22 LEU 49 9.394 10.524 10.398 379 HD23 LEU 49 HD23 LEU 49 9.331 10.445 12.161 380 H SER 50 H SER 50 14.353 10.715 9.041 381 HA SER 50 HA SER 50 16.070 12.323 10.632 382 HB2 SER 50 HB3 SER 50 16.942 10.646 9.068 383 HB3 SER 50 HB2 SER 50 16.251 11.512 7.698 384 HG SER 50 HG SER 50 17.826 12.944 7.783 385 H ASP 51 H ASP 51 13.934 13.080 7.927 386 HA ASP 51 HA ASP 51 14.290 15.969 8.355 387 HB2 ASP 51 HB3 ASP 51 14.357 16.287 5.822 388 HB3 ASP 51 HB2 ASP 51 15.811 15.629 6.556 389 HA PRO 52 HA PRO 52 9.857 14.535 7.788 390 HB2 PRO 52 HB3 PRO 52 8.956 14.544 10.292 391 HB3 PRO 52 HB2 PRO 52 10.157 13.342 9.792 392 HG2 PRO 52 HG3 PRO 52 10.552 15.877 11.370 393 HG3 PRO 52 HG2 PRO 52 11.277 14.276 11.625 394 HD2 PRO 52 HD3 PRO 52 12.467 16.443 10.236 395 HD3 PRO 52 HD2 PRO 52 13.013 14.751 10.194 396 H ASN 53 H ASN 53 11.033 17.605 8.173 397 HA ASN 53 HA ASN 53 8.360 18.839 8.085 398 HB2 ASN 53 HB3 ASN 53 8.927 20.507 9.861 399 HB3 ASN 53 HB2 ASN 53 8.809 18.864 10.461 400 HD21 ASN 53 HD21 ASN 53 10.643 17.844 11.245 401 HD22 ASN 53 HD22 ASN 53 12.114 18.683 11.564 402 H LEU 54 H LEU 54 10.132 18.592 5.963 403 HA LEU 54 HA LEU 54 10.648 21.408 5.312 404 HB2 LEU 54 HB3 LEU 54 12.912 20.681 4.278 405 HB3 LEU 54 HB2 LEU 54 12.797 20.962 6.001 406 HG LEU 54 HG LEU 54 12.606 18.454 6.325 407 HD11 LEU 54 HD11 LEU 54 13.413 18.321 3.415 408 HD12 LEU 54 HD12 LEU 54 11.894 17.753 4.116 409 HD13 LEU 54 HD13 LEU 54 13.409 16.971 4.554 410 HD21 LEU 54 HD21 LEU 54 15.029 18.086 6.071 411 HD22 LEU 54 HD22 LEU 54 14.653 19.649 6.788 412 HD23 LEU 54 HD23 LEU 54 15.145 19.553 5.093 413 H VAL 55 H VAL 55 11.490 21.546 2.914 414 HA VAL 55 HA VAL 55 9.297 20.759 1.288 415 HB VAL 55 HB VAL 55 10.502 22.887 0.981 416 HG11 VAL 55 HG11 VAL 55 12.707 23.015 -0.119 417 HG12 VAL 55 HG12 VAL 55 12.834 21.256 -0.087 418 HG13 VAL 55 HG13 VAL 55 12.808 22.163 1.424 419 HG21 VAL 55 HG21 VAL 55 10.557 22.931 -1.485 420 HG22 VAL 55 HG22 VAL 55 9.176 21.998 -0.905 421 HG23 VAL 55 HG23 VAL 55 10.602 21.166 -1.527 422 H ILE 56 H ILE 56 12.532 19.386 1.666 423 HA ILE 56 HA ILE 56 12.622 17.768 -0.675 424 HB ILE 56 HB ILE 56 14.025 17.142 1.971 425 HG12 ILE 56 HG12 ILE 56 15.060 18.937 -0.284 426 HG13 ILE 56 HG11 ILE 56 14.459 19.513 1.267 427 HG21 ILE 56 HG21 ILE 56 15.736 16.026 0.572 428 HG22 ILE 56 HG22 ILE 56 14.803 16.397 -0.879 429 HG23 ILE 56 HG23 ILE 56 14.144 15.302 0.336 430 HD11 ILE 56 HD11 ILE 56 16.907 17.798 0.841 431 HD12 ILE 56 HD12 ILE 56 16.304 18.359 2.404 432 HD13 ILE 56 HD13 ILE 56 16.878 19.521 1.208 433 H ARG 57 H ARG 57 10.969 17.385 2.368 434 HA ARG 57 HA ARG 57 10.629 14.628 2.598 435 HB2 ARG 57 HB3 ARG 57 9.999 16.349 4.312 436 HB3 ARG 57 HB2 ARG 57 8.608 16.781 3.325 437 HG2 ARG 57 HG3 ARG 57 7.748 14.435 3.612 438 HG3 ARG 57 HG2 ARG 57 9.091 14.121 4.717 439 HD2 ARG 57 HD3 ARG 57 7.088 14.657 5.995 440 HD3 ARG 57 HD2 ARG 57 8.265 15.966 6.185 441 HE ARG 57 HE ARG 57 6.409 16.450 4.045 442 HH11 ARG 57 HH11 ARG 57 6.720 16.697 7.483 443 HH12 ARG 57 HH12 ARG 57 5.499 17.911 7.599 444 HH21 ARG 57 HH21 ARG 57 4.813 17.976 4.253 445 HH22 ARG 57 HH22 ARG 57 4.448 18.624 5.813 446 H LYS 58 H LYS 58 8.888 16.949 0.552 447 HA LYS 58 HA LYS 58 6.789 15.340 -0.433 448 HB2 LYS 58 HB3 LYS 58 8.279 17.684 -1.680 449 HB3 LYS 58 HB2 LYS 58 6.954 16.885 -2.513 450 HG2 LYS 58 HG3 LYS 58 6.065 18.849 -1.483 451 HG3 LYS 58 HG2 LYS 58 5.452 17.456 -0.595 452 HD2 LYS 58 HD3 LYS 58 7.272 17.886 1.139 453 HD3 LYS 58 HD2 LYS 58 7.633 19.387 0.281 454 HE2 LYS 58 HE3 LYS 58 4.987 18.661 1.591 455 HE3 LYS 58 HE2 LYS 58 6.165 19.825 2.196 456 HZ1 LYS 58 HZ1 LYS 58 5.793 21.147 0.194 457 HZ2 LYS 58 HZ2 LYS 58 4.372 20.945 1.085 458 HZ3 LYS 58 HZ3 LYS 58 4.615 20.049 -0.329 459 H ARG 59 H ARG 59 10.097 15.803 -1.621 460 HA ARG 59 HA ARG 59 10.050 13.963 -3.792 461 HB2 ARG 59 HB3 ARG 59 11.726 15.823 -3.387 462 HB3 ARG 59 HB2 ARG 59 12.439 14.854 -2.113 463 HG2 ARG 59 HG3 ARG 59 12.287 13.727 -4.907 464 HG3 ARG 59 HG2 ARG 59 13.500 14.949 -4.541 465 HD2 ARG 59 HD3 ARG 59 14.311 13.456 -2.665 466 HD3 ARG 59 HD2 ARG 59 13.211 12.207 -3.274 467 HE ARG 59 HE ARG 59 14.810 13.141 -5.392 468 HH11 ARG 59 HH11 ARG 59 15.181 11.207 -2.534 469 HH12 ARG 59 HH12 ARG 59 16.530 10.358 -3.188 470 HH21 ARG 59 HH21 ARG 59 16.521 12.054 -6.161 471 HH22 ARG 59 HH22 ARG 59 17.271 10.823 -5.209 472 H LYS 60 H LYS 60 10.807 13.628 -0.338 473 HA LYS 60 HA LYS 60 11.632 10.903 -0.360 474 HB2 LYS 60 HB3 LYS 60 10.466 12.490 1.967 475 HB3 LYS 60 HB2 LYS 60 11.387 10.991 2.097 476 HG2 LYS 60 HG3 LYS 60 12.465 13.617 1.008 477 HG3 LYS 60 HG2 LYS 60 12.721 13.029 2.652 478 HD2 LYS 60 HD3 LYS 60 13.601 11.451 0.194 479 HD3 LYS 60 HD2 LYS 60 14.633 12.657 0.968 480 HE2 LYS 60 HE3 LYS 60 13.472 10.232 2.387 481 HE3 LYS 60 HE2 LYS 60 15.101 10.316 1.714 482 HZ1 LYS 60 HZ1 LYS 60 15.053 10.794 4.087 483 HZ2 LYS 60 HZ2 LYS 60 14.046 12.125 3.823 484 HZ3 LYS 60 HZ3 LYS 60 15.615 12.117 3.204 485 H VAL 61 H VAL 61 8.393 12.373 -0.254 486 HA VAL 61 HA VAL 61 6.949 9.953 0.287 487 HB VAL 61 HB VAL 61 5.879 12.202 -1.471 488 HG11 VAL 61 HG11 VAL 61 4.487 10.167 -1.430 489 HG12 VAL 61 HG12 VAL 61 3.657 11.502 -0.628 490 HG13 VAL 61 HG13 VAL 61 4.415 10.229 0.334 491 HG21 VAL 61 HG21 VAL 61 4.971 13.277 0.563 492 HG22 VAL 61 HG22 VAL 61 6.732 13.246 0.556 493 HG23 VAL 61 HG23 VAL 61 5.840 12.105 1.558 494 H GLY 62 H GLY 62 8.033 11.521 -2.744 495 HA2 GLY 62 HA3 GLY 62 7.077 9.670 -4.637 496 HA3 GLY 62 HA2 GLY 62 8.506 10.673 -4.834 497 H VAL 63 H VAL 63 10.157 9.694 -2.841 498 HA VAL 63 HA VAL 63 11.184 7.220 -3.816 499 HB VAL 63 HB VAL 63 11.790 8.608 -1.160 500 HG11 VAL 63 HG11 VAL 63 13.940 7.364 -1.200 501 HG12 VAL 63 HG12 VAL 63 13.414 6.500 -2.646 502 HG13 VAL 63 HG13 VAL 63 12.555 6.274 -1.122 503 HG21 VAL 63 HG21 VAL 63 13.221 8.882 -3.838 504 HG22 VAL 63 HG22 VAL 63 13.738 9.616 -2.318 505 HG23 VAL 63 HG23 VAL 63 12.219 10.109 -3.062 506 H LEU 64 H LEU 64 9.112 8.048 -1.025 507 HA LEU 64 HA LEU 64 9.020 5.619 0.348 508 HB2 LEU 64 HB3 LEU 64 8.007 7.681 1.258 509 HB3 LEU 64 HB2 LEU 64 6.787 7.655 -0.003 510 HG LEU 64 HG LEU 64 6.103 5.329 1.004 511 HD11 LEU 64 HD11 LEU 64 7.595 6.427 3.395 512 HD12 LEU 64 HD12 LEU 64 8.016 4.989 2.458 513 HD13 LEU 64 HD13 LEU 64 6.522 5.024 3.390 514 HD21 LEU 64 HD21 LEU 64 5.459 7.879 2.512 515 HD22 LEU 64 HD22 LEU 64 4.551 6.370 2.606 516 HD23 LEU 64 HD23 LEU 64 4.625 7.258 1.087 517 H LEU 65 H LEU 65 6.918 6.712 -2.345 518 HA LEU 65 HA LEU 65 5.157 4.512 -2.450 519 HB2 LEU 65 HB3 LEU 65 6.069 6.244 -4.785 520 HB3 LEU 65 HB2 LEU 65 4.608 5.267 -4.736 521 HG LEU 65 HG LEU 65 5.159 7.744 -3.050 522 HD11 LEU 65 HD11 LEU 65 4.732 8.303 -5.386 523 HD12 LEU 65 HD12 LEU 65 3.395 8.825 -4.366 524 HD13 LEU 65 HD13 LEU 65 3.229 7.376 -5.362 525 HD21 LEU 65 HD21 LEU 65 2.834 7.559 -2.258 526 HD22 LEU 65 HD22 LEU 65 3.798 6.170 -1.768 527 HD23 LEU 65 HD23 LEU 65 2.657 6.019 -3.107 528 H ASP 66 H ASP 66 8.212 5.128 -4.110 529 HA ASP 66 HA ASP 66 8.443 2.801 -5.679 530 HB2 ASP 66 HB3 ASP 66 9.780 4.847 -6.032 531 HB3 ASP 66 HB2 ASP 66 10.605 4.600 -4.497 532 H ILE 67 H ILE 67 9.548 3.466 -2.339 533 HA ILE 67 HA ILE 67 10.843 0.970 -1.852 534 HB ILE 67 HB ILE 67 9.618 2.951 0.125 535 HG12 ILE 67 HG12 ILE 67 12.548 2.597 -0.687 536 HG13 ILE 67 HG11 ILE 67 11.492 3.858 -1.307 537 HG21 ILE 67 HG21 ILE 67 11.022 1.872 1.862 538 HG22 ILE 67 HG22 ILE 67 11.521 0.647 0.696 539 HG23 ILE 67 HG23 ILE 67 9.832 0.754 1.196 540 HD11 ILE 67 HD11 ILE 67 12.337 3.529 1.575 541 HD12 ILE 67 HD12 ILE 67 11.293 4.804 0.941 542 HD13 ILE 67 HD13 ILE 67 12.975 4.700 0.422 543 H LEU 68 H LEU 68 7.629 2.166 -0.850 544 HA LEU 68 HA LEU 68 6.601 -0.173 0.278 545 HB2 LEU 68 HB3 LEU 68 5.169 2.200 -0.951 546 HB3 LEU 68 HB2 LEU 68 4.321 0.899 -0.131 547 HG LEU 68 HG LEU 68 6.304 2.823 1.153 548 HD11 LEU 68 HD11 LEU 68 3.289 2.606 1.463 549 HD12 LEU 68 HD12 LEU 68 4.165 3.888 0.623 550 HD13 LEU 68 HD13 LEU 68 4.346 3.700 2.365 551 HD21 LEU 68 HD21 LEU 68 6.459 0.610 2.215 552 HD22 LEU 68 HD22 LEU 68 4.711 0.583 2.458 553 HD23 LEU 68 HD23 LEU 68 5.703 1.777 3.299 554 H GLN 69 H GLN 69 6.876 0.753 -3.099 555 HA GLN 69 HA GLN 69 5.057 -1.008 -4.283 556 HB2 GLN 69 HB3 GLN 69 6.320 0.740 -5.526 557 HB3 GLN 69 HB2 GLN 69 7.793 -0.203 -5.357 558 HG2 GLN 69 HG3 GLN 69 6.778 -0.413 -7.607 559 HG3 GLN 69 HG2 GLN 69 6.902 -1.964 -6.774 560 HE21 GLN 69 HE21 GLN 69 4.686 0.519 -7.866 561 HE22 GLN 69 HE22 GLN 69 3.262 -0.437 -7.727 562 H ARG 70 H ARG 70 8.302 -1.734 -2.990 563 HA ARG 70 HA ARG 70 8.574 -4.394 -3.948 564 HB2 ARG 70 HB3 ARG 70 9.779 -2.909 -1.608 565 HB3 ARG 70 HB2 ARG 70 10.018 -4.645 -1.713 566 HG2 ARG 70 HG3 ARG 70 11.941 -3.540 -2.645 567 HG3 ARG 70 HG2 ARG 70 11.072 -4.358 -3.943 568 HD2 ARG 70 HD3 ARG 70 10.063 -2.181 -4.599 569 HD3 ARG 70 HD2 ARG 70 11.011 -1.384 -3.329 570 HE ARG 70 HE ARG 70 12.653 -2.933 -5.087 571 HH11 ARG 70 HH11 ARG 70 11.067 0.145 -4.910 572 HH12 ARG 70 HH12 ARG 70 12.184 0.876 -6.002 573 HH21 ARG 70 HH21 ARG 70 14.022 -1.968 -6.460 574 HH22 ARG 70 HH22 ARG 70 13.817 -0.305 -6.878 575 H THR 71 H THR 71 6.970 -3.136 -1.048 576 HA THR 71 HA THR 71 5.803 -5.788 -0.434 577 HB THR 71 HB THR 71 6.812 -4.571 1.477 578 HG1 THR 71 HG1 THR 71 4.300 -5.526 1.392 579 HG21 THR 71 HG21 THR 71 5.798 -2.517 2.382 580 HG22 THR 71 HG22 THR 71 4.692 -2.441 1.012 581 HG23 THR 71 HG23 THR 71 6.426 -2.234 0.757 582 H GLY 72 H GLY 72 5.036 -4.003 -2.776 583 HA2 GLY 72 HA3 GLY 72 2.985 -2.226 -2.411 584 HA3 GLY 72 HA2 GLY 72 3.252 -3.121 -3.889 585 H HIS 73 H HIS 73 2.546 -5.725 -2.577 586 HA HIS 73 HA HIS 73 -0.232 -5.741 -3.139 587 HB2 HIS 73 HB2 HIS 73 1.353 -7.722 -3.335 588 HB3 HIS 73 HB1 HIS 73 1.267 -7.892 -1.582 589 HD1 HIS 73 HD1 HIS 73 -0.729 -9.132 -0.661 590 HD2 HIS 73 HD2 HIS 73 -1.180 -8.180 -4.679 591 HE1 HIS 73 HE1 HIS 73 -2.806 -10.321 -1.397 592 HE2 HIS 73 HE2 HIS 73 -2.960 -9.862 -3.865 593 H LYS 74 H LYS 74 1.519 -5.903 -0.028 594 HA LYS 74 HA LYS 74 -0.892 -5.507 1.567 595 HB2 LYS 74 HB3 LYS 74 2.059 -5.620 2.316 596 HB3 LYS 74 HB2 LYS 74 0.764 -5.402 3.492 597 HG2 LYS 74 HG3 LYS 74 1.104 -7.822 1.677 598 HG3 LYS 74 HG2 LYS 74 1.561 -7.750 3.383 599 HD2 LYS 74 HD3 LYS 74 -1.277 -7.403 2.308 600 HD3 LYS 74 HD2 LYS 74 -0.634 -8.890 3.008 601 HE2 LYS 74 HE3 LYS 74 -0.390 -7.839 5.178 602 HE3 LYS 74 HE2 LYS 74 -0.791 -6.253 4.515 603 HZ1 LYS 74 HZ1 LYS 74 -2.629 -8.574 4.662 604 HZ2 LYS 74 HZ2 LYS 74 -3.009 -7.056 4.026 605 HZ3 LYS 74 HZ3 LYS 74 -2.660 -7.220 5.673 606 H GLY 75 H GLY 75 1.717 -3.563 0.288 607 HA2 GLY 75 HA3 GLY 75 1.629 -1.320 2.007 608 HA3 GLY 75 HA2 GLY 75 2.364 -1.380 0.412 609 H TYR 76 H TYR 76 0.095 -1.966 -1.138 610 HA TYR 76 HA TYR 76 -1.145 0.517 -1.582 611 HB2 TYR 76 HB2 TYR 76 -1.032 -1.112 -3.379 612 HB3 TYR 76 HB1 TYR 76 -1.954 -2.292 -2.453 613 HD1 TYR 76 HD1 TYR 76 -4.165 -2.598 -3.205 614 HD2 TYR 76 HD2 TYR 76 -2.409 1.284 -3.596 615 HE1 TYR 76 HE1 TYR 76 -6.239 -1.761 -4.222 616 HE2 TYR 76 HE2 TYR 76 -4.484 2.115 -4.609 617 HH TYR 76 HH TYR 76 -7.404 0.445 -4.497 618 H VAL 77 H VAL 77 -2.516 -2.440 -0.100 619 HA VAL 77 HA VAL 77 -5.048 -1.433 0.598 620 HB VAL 77 HB VAL 77 -3.464 -3.642 1.998 621 HG11 VAL 77 HG11 VAL 77 -5.667 -4.527 2.733 622 HG12 VAL 77 HG12 VAL 77 -6.468 -3.120 2.029 623 HG13 VAL 77 HG13 VAL 77 -5.361 -2.916 3.388 624 HG21 VAL 77 HG21 VAL 77 -4.680 -5.207 0.501 625 HG22 VAL 77 HG22 VAL 77 -3.687 -4.073 -0.417 626 HG23 VAL 77 HG23 VAL 77 -5.434 -3.835 -0.321 627 H ALA 78 H ALA 78 -2.042 -1.571 2.495 628 HA ALA 78 HA ALA 78 -2.939 -0.440 4.924 629 HB1 ALA 78 HB1 ALA 78 -0.169 -0.317 3.693 630 HB2 ALA 78 HB2 ALA 78 -0.803 -1.639 4.671 631 HB3 ALA 78 HB3 ALA 78 -0.567 -0.049 5.396 632 H PHE 79 H PHE 79 -1.589 1.079 1.999 633 HA PHE 79 HA PHE 79 -1.441 3.742 2.990 634 HB2 PHE 79 HB2 PHE 79 -0.270 2.752 0.911 635 HB3 PHE 79 HB1 PHE 79 -1.797 2.960 0.065 636 HD1 PHE 79 HD1 PHE 79 -1.672 4.801 -1.415 637 HD2 PHE 79 HD2 PHE 79 0.220 5.096 2.414 638 HE1 PHE 79 HE1 PHE 79 -0.988 7.117 -1.922 639 HE2 PHE 79 HE2 PHE 79 0.891 7.400 1.907 640 HZ PHE 79 HZ PHE 79 0.294 8.419 -0.262 641 H LEU 80 H LEU 80 -3.976 1.911 1.291 642 HA LEU 80 HA LEU 80 -5.904 3.960 0.985 643 HB2 LEU 80 HB3 LEU 80 -6.389 0.995 1.434 644 HB3 LEU 80 HB2 LEU 80 -7.585 2.143 0.846 645 HG LEU 80 HG LEU 80 -5.075 1.260 -0.619 646 HD11 LEU 80 HD11 LEU 80 -7.997 0.671 -1.159 647 HD12 LEU 80 HD12 LEU 80 -6.782 -0.465 -0.561 648 HD13 LEU 80 HD13 LEU 80 -6.639 0.198 -2.184 649 HD21 LEU 80 HD21 LEU 80 -7.210 3.225 -1.524 650 HD22 LEU 80 HD22 LEU 80 -5.913 2.581 -2.532 651 HD23 LEU 80 HD23 LEU 80 -5.525 3.600 -1.151 652 H GLU 81 H GLU 81 -5.499 1.551 3.596 653 HA GLU 81 HA GLU 81 -7.532 2.350 5.354 654 HB2 GLU 81 HB3 GLU 81 -4.789 1.155 5.958 655 HB3 GLU 81 HB2 GLU 81 -6.085 1.281 7.144 656 HG2 GLU 81 HG3 GLU 81 -6.245 -0.312 4.568 657 HG3 GLU 81 HG2 GLU 81 -5.840 -0.985 6.146 658 H SER 82 H SER 82 -4.191 3.453 5.072 659 HA SER 82 HA SER 82 -4.034 5.177 7.282 660 HB2 SER 82 HB3 SER 82 -2.068 4.332 6.007 661 HB3 SER 82 HB2 SER 82 -2.517 5.357 4.641 662 HG SER 82 HG SER 82 -0.924 6.063 6.446 663 H LEU 83 H LEU 83 -4.712 5.913 3.847 664 HA LEU 83 HA LEU 83 -5.113 8.705 4.264 665 HB2 LEU 83 HB3 LEU 83 -5.953 6.986 1.904 666 HB3 LEU 83 HB2 LEU 83 -5.960 8.744 1.932 667 HG LEU 83 HG LEU 83 -3.555 6.893 1.938 668 HD11 LEU 83 HD11 LEU 83 -4.385 9.093 0.029 669 HD12 LEU 83 HD12 LEU 83 -4.479 7.354 -0.261 670 HD13 LEU 83 HD13 LEU 83 -2.907 8.132 -0.082 671 HD21 LEU 83 HD21 LEU 83 -3.072 8.603 3.609 672 HD22 LEU 83 HD22 LEU 83 -3.504 9.883 2.470 673 HD23 LEU 83 HD23 LEU 83 -2.095 8.864 2.166 674 H GLU 84 H GLU 84 -7.399 5.956 4.086 675 HA GLU 84 HA GLU 84 -9.757 7.535 3.975 676 HB2 GLU 84 HB3 GLU 84 -9.690 5.122 3.356 677 HB3 GLU 84 HB2 GLU 84 -9.486 4.702 5.055 678 HG2 GLU 84 HG3 GLU 84 -11.697 5.587 5.587 679 HG3 GLU 84 HG2 GLU 84 -11.889 6.188 3.942 680 H LEU 85 H LEU 85 -7.779 6.469 6.704 681 HA LEU 85 HA LEU 85 -9.651 7.409 8.716 682 HB2 LEU 85 HB3 LEU 85 -6.771 6.485 8.957 683 HB3 LEU 85 HB2 LEU 85 -7.800 6.894 10.323 684 HG LEU 85 HG LEU 85 -8.194 4.569 8.393 685 HD11 LEU 85 HD11 LEU 85 -7.791 3.150 10.356 686 HD12 LEU 85 HD12 LEU 85 -7.497 4.585 11.342 687 HD13 LEU 85 HD13 LEU 85 -6.412 4.191 10.008 688 HD21 LEU 85 HD21 LEU 85 -10.116 3.896 9.786 689 HD22 LEU 85 HD22 LEU 85 -10.395 5.448 9.006 690 HD23 LEU 85 HD23 LEU 85 -9.971 5.389 10.720 691 H TYR 86 H TYR 86 -6.520 8.584 7.395 692 HA TYR 86 HA TYR 86 -6.533 10.918 9.151 693 HB2 TYR 86 HB2 TYR 86 -4.544 9.855 7.120 694 HB3 TYR 86 HB1 TYR 86 -4.349 11.452 7.837 695 HD1 TYR 86 HD1 TYR 86 -3.352 11.690 9.995 696 HD2 TYR 86 HD2 TYR 86 -4.634 7.808 8.732 697 HE1 TYR 86 HE1 TYR 86 -2.272 10.690 11.961 698 HE2 TYR 86 HE2 TYR 86 -3.544 6.811 10.701 699 HH TYR 86 HH TYR 86 -1.716 7.384 12.300 700 H TYR 87 H TYR 87 -6.562 10.476 5.563 701 HA TYR 87 HA TYR 87 -7.794 13.177 5.273 702 HB2 TYR 87 HB2 TYR 87 -5.761 11.952 3.338 703 HB3 TYR 87 HB1 TYR 87 -6.469 13.561 3.233 704 HD1 TYR 87 HD1 TYR 87 -3.765 11.598 4.618 705 HD2 TYR 87 HD2 TYR 87 -5.943 15.251 5.086 706 HE1 TYR 87 HE1 TYR 87 -1.973 12.491 6.053 707 HE2 TYR 87 HE2 TYR 87 -4.148 16.133 6.500 708 HH TYR 87 HH TYR 87 -1.122 14.710 6.784 709 HA PRO 88 HA PRO 88 -10.355 9.624 3.295 710 HB2 PRO 88 HB3 PRO 88 -12.845 10.517 4.165 711 HB3 PRO 88 HB2 PRO 88 -11.821 9.385 5.060 712 HG2 PRO 88 HG3 PRO 88 -12.099 12.374 5.406 713 HG3 PRO 88 HG2 PRO 88 -12.053 11.103 6.650 714 HD2 PRO 88 HD3 PRO 88 -9.874 12.588 6.110 715 HD3 PRO 88 HD2 PRO 88 -9.718 10.860 6.486 716 H GLN 89 H GLN 89 -10.898 13.105 3.336 717 HA GLN 89 HA GLN 89 -12.380 13.475 0.995 718 HB2 GLN 89 HB3 GLN 89 -11.313 15.796 1.017 719 HB3 GLN 89 HB2 GLN 89 -12.119 15.312 2.503 720 HG2 GLN 89 HG3 GLN 89 -9.861 14.681 3.435 721 HG3 GLN 89 HG2 GLN 89 -9.126 15.383 1.995 722 HE21 GLN 89 HE21 GLN 89 -8.014 16.941 3.218 723 HE22 GLN 89 HE22 GLN 89 -8.811 18.276 3.965 724 H LEU 90 H LEU 90 -8.783 13.503 1.343 725 HA LEU 90 HA LEU 90 -8.319 13.733 -1.490 726 HB2 LEU 90 HB3 LEU 90 -6.756 14.653 0.215 727 HB3 LEU 90 HB2 LEU 90 -6.353 13.019 0.713 728 HG LEU 90 HG LEU 90 -5.296 12.558 -1.450 729 HD11 LEU 90 HD11 LEU 90 -6.753 13.842 -2.935 730 HD12 LEU 90 HD12 LEU 90 -5.066 14.260 -3.199 731 HD13 LEU 90 HD13 LEU 90 -6.109 15.358 -2.295 732 HD21 LEU 90 HD21 LEU 90 -3.399 14.092 -1.331 733 HD22 LEU 90 HD22 LEU 90 -3.919 13.627 0.285 734 HD23 LEU 90 HD23 LEU 90 -4.341 15.218 -0.349 735 H TYR 91 H TYR 91 -8.535 11.086 0.786 736 HA TYR 91 HA TYR 91 -7.561 8.933 -0.705 737 HB2 TYR 91 HB2 TYR 91 -8.156 8.643 1.633 738 HB3 TYR 91 HB1 TYR 91 -9.825 9.104 1.325 739 HD1 TYR 91 HD1 TYR 91 -11.444 7.392 0.984 740 HD2 TYR 91 HD2 TYR 91 -7.309 6.477 0.390 741 HE1 TYR 91 HE1 TYR 91 -12.010 5.023 0.639 742 HE2 TYR 91 HE2 TYR 91 -7.893 4.123 0.054 743 HH TYR 91 HH TYR 91 -9.709 2.568 0.680 744 H LYS 92 H LYS 92 -10.963 10.036 -0.427 745 HA LYS 92 HA LYS 92 -11.995 8.482 -2.572 746 HB2 LYS 92 HB3 LYS 92 -13.115 11.005 -1.295 747 HB3 LYS 92 HB2 LYS 92 -14.020 9.914 -2.342 748 HG2 LYS 92 HG3 LYS 92 -13.946 8.147 -0.705 749 HG3 LYS 92 HG2 LYS 92 -12.787 9.036 0.290 750 HD2 LYS 92 HD3 LYS 92 -14.532 10.791 0.691 751 HD3 LYS 92 HD2 LYS 92 -15.682 9.828 -0.238 752 HE2 LYS 92 HE3 LYS 92 -14.321 8.916 2.324 753 HE3 LYS 92 HE2 LYS 92 -15.956 9.570 2.220 754 HZ1 LYS 92 HZ1 LYS 92 -15.979 7.170 2.268 755 HZ2 LYS 92 HZ2 LYS 92 -15.006 7.096 0.893 756 HZ3 LYS 92 HZ3 LYS 92 -16.565 7.733 0.785 757 H LYS 93 H LYS 93 -10.472 11.674 -2.479 758 HA LYS 93 HA LYS 93 -11.102 12.528 -5.111 759 HB2 LYS 93 HB3 LYS 93 -10.156 14.077 -3.488 760 HB3 LYS 93 HB2 LYS 93 -8.689 13.122 -3.361 761 HG2 LYS 93 HG3 LYS 93 -8.292 15.151 -4.651 762 HG3 LYS 93 HG2 LYS 93 -8.063 13.721 -5.660 763 HD2 LYS 93 HD3 LYS 93 -10.309 14.069 -6.655 764 HD3 LYS 93 HD2 LYS 93 -10.534 15.500 -5.640 765 HE2 LYS 93 HE3 LYS 93 -8.662 16.618 -6.755 766 HE3 LYS 93 HE2 LYS 93 -8.327 15.168 -7.705 767 HZ1 LYS 93 HZ1 LYS 93 -9.547 16.791 -8.981 768 HZ2 LYS 93 HZ2 LYS 93 -10.798 16.796 -7.846 769 HZ3 LYS 93 HZ3 LYS 93 -10.484 15.402 -8.750 770 H VAL 94 H VAL 94 -8.333 10.538 -3.933 771 HA VAL 94 HA VAL 94 -7.220 10.360 -6.638 772 HB VAL 94 HB VAL 94 -5.265 9.274 -5.633 773 HG11 VAL 94 HG11 VAL 94 -4.464 11.165 -4.251 774 HG12 VAL 94 HG12 VAL 94 -6.118 11.757 -4.090 775 HG13 VAL 94 HG13 VAL 94 -5.340 11.730 -5.674 776 HG21 VAL 94 HG21 VAL 94 -6.750 9.411 -2.970 777 HG22 VAL 94 HG22 VAL 94 -5.061 8.937 -3.175 778 HG23 VAL 94 HG23 VAL 94 -6.346 7.942 -3.861 779 H THR 95 H THR 95 -9.223 8.350 -4.637 780 HA THR 95 HA THR 95 -8.690 5.955 -6.325 781 HB THR 95 HB THR 95 -9.704 4.579 -4.548 782 HG1 THR 95 HG1 THR 95 -9.771 6.413 -2.548 783 HG21 THR 95 HG21 THR 95 -7.265 5.014 -4.374 784 HG22 THR 95 HG22 THR 95 -8.003 4.844 -2.781 785 HG23 THR 95 HG23 THR 95 -7.596 6.446 -3.393 786 H GLY 96 H GLY 96 -11.287 8.031 -5.041 787 HA2 GLY 96 HA3 GLY 96 -13.404 6.620 -6.497 788 HA3 GLY 96 HA2 GLY 96 -13.593 8.022 -5.454 789 H LYS 97 H LYS 97 -14.250 7.234 -8.449 790 HA LYS 97 HA LYS 97 -13.783 9.875 -9.594 791 HB2 LYS 97 HB3 LYS 97 -12.664 8.991 -11.654 792 HB3 LYS 97 HB2 LYS 97 -11.701 8.796 -10.205 793 HG2 LYS 97 HG3 LYS 97 -11.344 6.726 -11.111 794 HG3 LYS 97 HG2 LYS 97 -12.807 6.366 -10.200 795 HD2 LYS 97 HD3 LYS 97 -14.111 6.854 -12.348 796 HD3 LYS 97 HD2 LYS 97 -12.555 6.895 -13.182 797 HE2 LYS 97 HE3 LYS 97 -13.569 4.696 -13.443 798 HE3 LYS 97 HE2 LYS 97 -12.136 4.552 -12.422 799 HZ1 LYS 97 HZ1 LYS 97 -13.942 3.288 -11.503 800 HZ2 LYS 97 HZ2 LYS 97 -14.956 4.640 -11.492 801 HZ3 LYS 97 HZ3 LYS 97 -13.607 4.588 -10.478 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -2.197 2.433 -20.208 2 H2 MET 1 HT2 MET 1 -1.476 1.165 -21.065 3 H3 MET 1 HT3 MET 1 -1.171 1.349 -19.413 4 HA MET 1 HA MET 1 -3.358 0.795 -18.828 5 HB2 MET 1 HB2 MET 1 -5.078 0.206 -20.536 6 HB3 MET 1 HB1 MET 1 -4.576 1.887 -20.628 7 HG2 MET 1 HG2 MET 1 -3.652 -0.323 -22.483 8 HG3 MET 1 HG1 MET 1 -4.874 0.895 -22.852 9 HE1 MET 1 HE1 MET 1 -2.241 0.281 -24.686 10 HE2 MET 1 HE2 MET 1 -1.788 1.932 -25.112 11 HE3 MET 1 HE3 MET 1 -3.487 1.457 -25.117 12 H SER 2 H SER 2 -3.735 -1.335 -18.247 13 HA SER 2 HA SER 2 -2.076 -3.422 -19.582 14 HB2 SER 2 HB3 SER 2 -1.220 -2.785 -17.324 15 HB3 SER 2 HB2 SER 2 -2.770 -3.242 -16.620 16 HG SER 2 HG SER 2 -1.168 -4.903 -16.486 17 H ASP 3 H ASP 3 -2.885 -5.524 -19.730 18 HA ASP 3 HA ASP 3 -5.777 -5.907 -19.556 19 HB2 ASP 3 HB3 ASP 3 -5.298 -8.115 -20.605 20 HB3 ASP 3 HB2 ASP 3 -4.612 -6.782 -21.523 21 H TYR 4 H TYR 4 -3.022 -6.538 -17.583 22 HA TYR 4 HA TYR 4 -4.640 -8.135 -15.672 23 HB2 TYR 4 HB2 TYR 4 -2.964 -9.610 -16.770 24 HB3 TYR 4 HB1 TYR 4 -1.666 -8.524 -16.293 25 HD1 TYR 4 HD1 TYR 4 -4.203 -10.938 -15.006 26 HD2 TYR 4 HD2 TYR 4 -0.720 -8.650 -14.037 27 HE1 TYR 4 HE1 TYR 4 -3.972 -12.175 -12.899 28 HE2 TYR 4 HE2 TYR 4 -0.493 -9.892 -11.925 29 HH TYR 4 HH TYR 4 -1.969 -11.160 -10.378 30 H GLU 5 H GLU 5 -5.025 -6.821 -13.980 31 HA GLU 5 HA GLU 5 -3.290 -4.578 -13.329 32 HB2 GLU 5 HB3 GLU 5 -5.918 -5.476 -12.063 33 HB3 GLU 5 HB2 GLU 5 -5.040 -4.028 -11.600 34 HG2 GLU 5 HG3 GLU 5 -6.795 -3.287 -12.985 35 HG3 GLU 5 HG2 GLU 5 -5.353 -3.208 -13.993 36 H ASN 6 H ASN 6 -1.450 -5.843 -12.691 37 HA ASN 6 HA ASN 6 -1.369 -7.234 -10.150 38 HB2 ASN 6 HB3 ASN 6 0.223 -7.630 -12.084 39 HB3 ASN 6 HB2 ASN 6 0.892 -6.022 -11.823 40 HD21 ASN 6 HD21 ASN 6 2.930 -6.889 -11.471 41 HD22 ASN 6 HD22 ASN 6 3.341 -7.708 -10.013 42 H ASP 7 H ASP 7 0.076 -6.290 -8.289 43 HA ASP 7 HA ASP 7 -0.995 -3.878 -7.345 44 HB2 ASP 7 HB3 ASP 7 0.763 -3.995 -5.547 45 HB3 ASP 7 HB2 ASP 7 -0.153 -5.482 -5.756 46 H ASP 8 H ASP 8 2.079 -4.399 -9.069 47 HA ASP 8 HA ASP 8 3.219 -1.867 -9.065 48 HB2 ASP 8 HB3 ASP 8 3.038 -3.812 -11.405 49 HB3 ASP 8 HB2 ASP 8 4.125 -2.429 -11.341 50 H GLU 9 H GLU 9 0.639 -3.065 -11.232 51 HA GLU 9 HA GLU 9 0.328 -0.669 -12.760 52 HB2 GLU 9 HB3 GLU 9 -1.766 -2.852 -12.362 53 HB3 GLU 9 HB2 GLU 9 -1.651 -1.721 -13.711 54 HG2 GLU 9 HG3 GLU 9 0.190 -4.046 -13.075 55 HG3 GLU 9 HG2 GLU 9 -0.909 -3.896 -14.443 56 H CYS 10 H CYS 10 -1.233 -1.942 -9.856 57 HA CYS 10 HA CYS 10 -3.310 -0.053 -9.551 58 HB2 CYS 10 HB3 CYS 10 -1.821 -1.599 -7.393 59 HB3 CYS 10 HB2 CYS 10 -3.397 -0.827 -7.205 60 HG CYS 10 HG CYS 10 -4.288 -2.551 -9.516 61 H TRP 11 H TRP 11 0.081 -0.027 -8.400 62 HA TRP 11 HA TRP 11 0.046 2.476 -7.066 63 HB2 TRP 11 HB2 TRP 11 2.317 0.899 -8.343 64 HB3 TRP 11 HB1 TRP 11 2.595 2.455 -7.566 65 HD1 TRP 11 HD1 TRP 11 2.591 -1.138 -6.734 66 HE1 TRP 11 HE1 TRP 11 2.560 -1.475 -4.192 67 HE3 TRP 11 HE3 TRP 11 1.323 3.612 -5.267 68 HZ2 TRP 11 HZ2 TRP 11 2.077 0.037 -1.878 69 HZ3 TRP 11 HZ3 TRP 11 1.090 4.078 -2.862 70 HH2 TRP 11 HH2 TRP 11 1.461 2.322 -1.202 71 H SER 12 H SER 12 0.740 1.617 -10.455 72 HA SER 12 HA SER 12 1.509 4.111 -11.471 73 HB2 SER 12 HB3 SER 12 1.722 2.072 -12.815 74 HB3 SER 12 HB2 SER 12 -0.028 1.880 -12.869 75 HG SER 12 HG SER 12 -0.097 3.222 -14.480 76 H VAL 13 H VAL 13 -1.760 2.860 -10.904 77 HA VAL 13 HA VAL 13 -3.289 4.900 -12.127 78 HB VAL 13 HB VAL 13 -3.972 3.177 -9.701 79 HG11 VAL 13 HG11 VAL 13 -5.473 5.121 -9.755 80 HG12 VAL 13 HG12 VAL 13 -6.361 3.671 -10.221 81 HG13 VAL 13 HG13 VAL 13 -5.848 4.824 -11.455 82 HG21 VAL 13 HG21 VAL 13 -3.461 1.838 -11.699 83 HG22 VAL 13 HG22 VAL 13 -4.618 2.772 -12.651 84 HG23 VAL 13 HG23 VAL 13 -5.183 1.750 -11.330 85 H LEU 14 H LEU 14 -2.085 4.622 -8.754 86 HA LEU 14 HA LEU 14 -3.020 7.174 -7.869 87 HB2 LEU 14 HB3 LEU 14 -0.771 5.456 -6.756 88 HB3 LEU 14 HB2 LEU 14 -1.433 6.876 -5.958 89 HG LEU 14 HG LEU 14 -2.841 4.222 -6.443 90 HD11 LEU 14 HD11 LEU 14 -1.277 4.216 -4.563 91 HD12 LEU 14 HD12 LEU 14 -2.938 4.099 -3.991 92 HD13 LEU 14 HD13 LEU 14 -2.070 5.632 -3.864 93 HD21 LEU 14 HD21 LEU 14 -4.478 6.012 -6.816 94 HD22 LEU 14 HD22 LEU 14 -4.050 6.760 -5.274 95 HD23 LEU 14 HD23 LEU 14 -4.816 5.170 -5.305 96 H GLU 15 H GLU 15 -0.030 6.116 -9.450 97 HA GLU 15 HA GLU 15 1.465 8.516 -9.074 98 HB2 GLU 15 HB3 GLU 15 1.773 6.273 -11.100 99 HB3 GLU 15 HB2 GLU 15 2.921 7.604 -10.935 100 HG2 GLU 15 HG3 GLU 15 3.373 6.920 -8.597 101 HG3 GLU 15 HG2 GLU 15 2.232 5.585 -8.769 102 H GLY 16 H GLY 16 -1.000 7.608 -11.409 103 HA2 GLY 16 HA3 GLY 16 -0.796 9.694 -13.282 104 HA3 GLY 16 HA2 GLY 16 -2.302 8.962 -12.747 105 H PHE 17 H PHE 17 -1.714 9.756 -9.931 106 HA PHE 17 HA PHE 17 -2.312 12.663 -9.978 107 HB2 PHE 17 HB2 PHE 17 -3.046 10.552 -7.884 108 HB3 PHE 17 HB1 PHE 17 -3.508 12.246 -7.833 109 HD1 PHE 17 HD1 PHE 17 -4.250 8.968 -9.281 110 HD2 PHE 17 HD2 PHE 17 -5.206 13.135 -9.442 111 HE1 PHE 17 HE1 PHE 17 -6.304 8.454 -10.541 112 HE2 PHE 17 HE2 PHE 17 -7.259 12.610 -10.694 113 HZ PHE 17 HZ PHE 17 -7.810 10.274 -11.247 114 H ARG 18 H ARG 18 0.428 11.222 -9.864 115 HA ARG 18 HA ARG 18 1.519 11.056 -7.304 116 HB2 ARG 18 HB3 ARG 18 2.537 10.230 -9.462 117 HB3 ARG 18 HB2 ARG 18 3.061 11.865 -9.804 118 HG2 ARG 18 HG3 ARG 18 3.953 10.492 -7.256 119 HG3 ARG 18 HG2 ARG 18 4.736 10.102 -8.782 120 HD2 ARG 18 HD3 ARG 18 5.290 12.533 -9.058 121 HD3 ARG 18 HD2 ARG 18 4.611 12.832 -7.457 122 HE ARG 18 HE ARG 18 6.558 10.831 -7.219 123 HH11 ARG 18 HH11 ARG 18 6.424 14.226 -7.921 124 HH12 ARG 18 HH12 ARG 18 8.043 14.495 -7.395 125 HH21 ARG 18 HH21 ARG 18 8.628 11.224 -6.565 126 HH22 ARG 18 HH22 ARG 18 9.277 12.822 -6.653 127 H VAL 19 H VAL 19 1.370 13.970 -9.383 128 HA VAL 19 HA VAL 19 2.819 15.787 -7.800 129 HB VAL 19 HB VAL 19 0.343 16.397 -9.484 130 HG11 VAL 19 HG11 VAL 19 1.185 18.733 -9.586 131 HG12 VAL 19 HG12 VAL 19 2.490 18.309 -8.475 132 HG13 VAL 19 HG13 VAL 19 0.812 18.247 -7.931 133 HG21 VAL 19 HG21 VAL 19 3.281 16.524 -10.270 134 HG22 VAL 19 HG22 VAL 19 1.921 17.019 -11.284 135 HG23 VAL 19 HG23 VAL 19 2.107 15.327 -10.823 136 H THR 20 H THR 20 -0.667 15.003 -7.687 137 HA THR 20 HA THR 20 -1.426 16.743 -5.581 138 HB THR 20 HB THR 20 -2.815 14.131 -6.338 139 HG1 THR 20 HG1 THR 20 -3.355 16.686 -7.448 140 HG21 THR 20 HG21 THR 20 -3.708 15.194 -4.290 141 HG22 THR 20 HG22 THR 20 -4.864 15.293 -5.617 142 HG23 THR 20 HG23 THR 20 -3.920 16.714 -5.178 143 H LEU 21 H LEU 21 -0.496 13.294 -5.597 144 HA LEU 21 HA LEU 21 -0.927 12.623 -2.907 145 HB2 LEU 21 HB3 LEU 21 1.303 11.539 -4.683 146 HB3 LEU 21 HB2 LEU 21 0.679 10.785 -3.221 147 HG LEU 21 HG LEU 21 -0.746 11.065 -5.892 148 HD11 LEU 21 HD11 LEU 21 0.946 9.300 -5.792 149 HD12 LEU 21 HD12 LEU 21 -0.674 8.626 -5.922 150 HD13 LEU 21 HD13 LEU 21 0.165 8.606 -4.367 151 HD21 LEU 21 HD21 LEU 21 -2.647 9.841 -4.903 152 HD22 LEU 21 HD22 LEU 21 -2.412 11.402 -4.124 153 HD23 LEU 21 HD23 LEU 21 -1.885 9.927 -3.312 154 H THR 22 H THR 22 2.154 13.534 -4.470 155 HA THR 22 HA THR 22 3.706 13.775 -2.123 156 HB THR 22 HB THR 22 5.331 15.028 -3.552 157 HG1 THR 22 HG1 THR 22 3.167 14.964 -5.404 158 HG21 THR 22 HG21 THR 22 5.330 12.547 -3.617 159 HG22 THR 22 HG22 THR 22 5.751 13.224 -5.190 160 HG23 THR 22 HG23 THR 22 4.132 12.580 -4.915 161 H SER 23 H SER 23 1.532 16.061 -3.627 162 HA SER 23 HA SER 23 2.446 18.450 -2.332 163 HB2 SER 23 HB3 SER 23 1.100 18.560 -4.383 164 HB3 SER 23 HB2 SER 23 -0.260 17.779 -3.578 165 HG SER 23 HG SER 23 -0.807 19.796 -3.260 166 H VAL 24 H VAL 24 -0.266 16.185 -1.620 167 HA VAL 24 HA VAL 24 -0.928 17.712 0.833 168 HB VAL 24 HB VAL 24 -2.535 15.473 -0.458 169 HG11 VAL 24 HG11 VAL 24 -3.127 15.836 1.907 170 HG12 VAL 24 HG12 VAL 24 -4.443 16.366 0.857 171 HG13 VAL 24 HG13 VAL 24 -3.373 17.559 1.599 172 HG21 VAL 24 HG21 VAL 24 -2.859 18.472 -0.864 173 HG22 VAL 24 HG22 VAL 24 -3.956 17.233 -1.478 174 HG23 VAL 24 HG23 VAL 24 -2.296 17.313 -2.071 175 H ILE 25 H ILE 25 -0.429 14.277 -0.131 176 HA ILE 25 HA ILE 25 -0.306 13.238 2.547 177 HB ILE 25 HB ILE 25 0.858 11.956 0.020 178 HG12 ILE 25 HG12 ILE 25 -1.926 11.482 1.146 179 HG13 ILE 25 HG11 ILE 25 -1.587 12.572 -0.196 180 HG21 ILE 25 HG21 ILE 25 0.594 9.796 1.194 181 HG22 ILE 25 HG22 ILE 25 0.000 10.635 2.626 182 HG23 ILE 25 HG23 ILE 25 1.665 10.877 2.091 183 HD11 ILE 25 HD11 ILE 25 -1.060 9.605 -0.168 184 HD12 ILE 25 HD12 ILE 25 -0.736 10.705 -1.511 185 HD13 ILE 25 HD13 ILE 25 -2.391 10.433 -0.974 186 H ASP 26 H ASP 26 1.484 12.839 3.828 187 HA ASP 26 HA ASP 26 4.175 12.975 2.683 188 HB2 ASP 26 HB3 ASP 26 5.025 14.351 4.519 189 HB3 ASP 26 HB2 ASP 26 3.784 15.214 3.628 190 HA PRO 27 HA PRO 27 4.619 9.139 4.898 191 HB2 PRO 27 HB3 PRO 27 7.368 9.078 5.334 192 HB3 PRO 27 HB2 PRO 27 6.599 8.724 3.782 193 HG2 PRO 27 HG3 PRO 27 7.868 11.290 4.728 194 HG3 PRO 27 HG2 PRO 27 8.007 10.489 3.147 195 HD2 PRO 27 HD3 PRO 27 6.374 12.600 3.522 196 HD3 PRO 27 HD2 PRO 27 5.938 11.276 2.421 197 H SER 28 H SER 28 6.145 11.999 6.390 198 HA SER 28 HA SER 28 6.480 10.884 9.014 199 HB2 SER 28 HB3 SER 28 6.993 13.219 9.709 200 HB3 SER 28 HB2 SER 28 7.870 12.767 8.250 201 HG SER 28 HG SER 28 5.390 14.093 8.042 202 H ARG 29 H ARG 29 3.652 11.900 7.415 203 HA ARG 29 HA ARG 29 2.111 12.630 9.751 204 HB2 ARG 29 HB3 ARG 29 1.639 13.168 7.215 205 HB3 ARG 29 HB2 ARG 29 0.928 11.564 7.144 206 HG2 ARG 29 HG3 ARG 29 -0.842 13.164 7.474 207 HG3 ARG 29 HG2 ARG 29 -0.656 12.259 8.982 208 HD2 ARG 29 HD3 ARG 29 -0.944 14.730 9.335 209 HD3 ARG 29 HD2 ARG 29 0.571 14.105 10.003 210 HE ARG 29 HE ARG 29 0.757 15.154 7.299 211 HH11 ARG 29 HH11 ARG 29 1.084 15.985 10.642 212 HH12 ARG 29 HH12 ARG 29 2.158 17.288 10.305 213 HH21 ARG 29 HH21 ARG 29 2.139 16.792 6.915 214 HH22 ARG 29 HH22 ARG 29 2.730 17.756 8.222 215 H ILE 30 H ILE 30 2.702 9.701 7.871 216 HA ILE 30 HA ILE 30 0.783 8.114 9.504 217 HB ILE 30 HB ILE 30 0.523 6.670 7.443 218 HG12 ILE 30 HG12 ILE 30 2.111 8.935 6.101 219 HG13 ILE 30 HG11 ILE 30 2.640 7.266 6.277 220 HG21 ILE 30 HG21 ILE 30 -0.994 8.208 6.251 221 HG22 ILE 30 HG22 ILE 30 -0.271 9.591 7.078 222 HG23 ILE 30 HG23 ILE 30 -1.164 8.378 8.000 223 HD11 ILE 30 HD11 ILE 30 0.342 8.245 4.590 224 HD12 ILE 30 HD12 ILE 30 0.832 6.557 4.772 225 HD13 ILE 30 HD13 ILE 30 1.926 7.719 4.020 226 H THR 31 H THR 31 4.025 8.472 9.385 227 HA THR 31 HA THR 31 5.197 6.028 8.867 228 HB THR 31 HB THR 31 6.855 6.643 10.867 229 HG1 THR 31 HG1 THR 31 6.336 8.340 11.920 230 HG21 THR 31 HG21 THR 31 6.638 8.414 8.418 231 HG22 THR 31 HG22 THR 31 7.450 6.850 8.483 232 HG23 THR 31 HG23 THR 31 8.075 8.209 9.424 233 HA PRO 32 HA PRO 32 4.434 4.274 13.368 234 HB2 PRO 32 HB3 PRO 32 2.303 5.237 14.834 235 HB3 PRO 32 HB2 PRO 32 3.955 5.856 14.975 236 HG2 PRO 32 HG3 PRO 32 1.639 6.986 13.413 237 HG3 PRO 32 HG2 PRO 32 2.838 7.827 14.415 238 HD2 PRO 32 HD3 PRO 32 3.014 7.763 11.709 239 HD3 PRO 32 HD2 PRO 32 4.453 7.811 12.751 240 H TYR 33 H TYR 33 1.620 5.305 11.436 241 HA TYR 33 HA TYR 33 0.038 2.979 11.962 242 HB2 TYR 33 HB2 TYR 33 -0.959 5.143 11.173 243 HB3 TYR 33 HB1 TYR 33 -0.220 4.871 9.593 244 HD1 TYR 33 HD1 TYR 33 -1.237 3.312 8.011 245 HD2 TYR 33 HD2 TYR 33 -2.739 3.543 12.000 246 HE1 TYR 33 HE1 TYR 33 -3.150 1.908 7.368 247 HE2 TYR 33 HE2 TYR 33 -4.660 2.153 11.351 248 HH TYR 33 HH TYR 33 -4.796 0.476 8.357 249 H LEU 34 H LEU 34 2.262 3.915 9.347 250 HA LEU 34 HA LEU 34 1.874 1.648 7.677 251 HB2 LEU 34 HB3 LEU 34 4.249 3.528 7.905 252 HB3 LEU 34 HB2 LEU 34 4.081 2.312 6.649 253 HG LEU 34 HG LEU 34 2.297 4.756 7.023 254 HD11 LEU 34 HD11 LEU 34 4.521 5.327 6.187 255 HD12 LEU 34 HD12 LEU 34 3.311 5.551 4.927 256 HD13 LEU 34 HD13 LEU 34 4.374 4.139 4.887 257 HD21 LEU 34 HD21 LEU 34 0.949 2.930 6.120 258 HD22 LEU 34 HD22 LEU 34 2.153 2.604 4.872 259 HD23 LEU 34 HD23 LEU 34 1.254 4.129 4.858 260 H ARG 35 H ARG 35 4.285 2.330 10.286 261 HA ARG 35 HA ARG 35 5.650 -0.179 10.031 262 HB2 ARG 35 HB3 ARG 35 6.831 0.299 12.052 263 HB3 ARG 35 HB2 ARG 35 6.638 1.838 11.221 264 HG2 ARG 35 HG3 ARG 35 4.919 2.540 12.767 265 HG3 ARG 35 HG2 ARG 35 4.828 0.937 13.489 266 HD2 ARG 35 HD3 ARG 35 7.100 1.193 14.387 267 HD3 ARG 35 HD2 ARG 35 7.232 2.783 13.628 268 HE ARG 35 HE ARG 35 5.334 2.109 15.804 269 HH11 ARG 35 HH11 ARG 35 7.277 4.476 14.196 270 HH12 ARG 35 HH12 ARG 35 6.972 5.673 15.401 271 HH21 ARG 35 HH21 ARG 35 4.943 3.665 17.303 272 HH22 ARG 35 HH22 ARG 35 5.667 5.225 17.127 273 H GLN 36 H GLN 36 2.876 0.889 12.054 274 HA GLN 36 HA GLN 36 2.582 -1.484 13.570 275 HB2 GLN 36 HB3 GLN 36 1.445 0.722 14.062 276 HB3 GLN 36 HB2 GLN 36 0.338 0.404 12.730 277 HG2 GLN 36 HG3 GLN 36 -0.710 -0.153 14.861 278 HG3 GLN 36 HG2 GLN 36 -0.487 -1.614 13.894 279 HE21 GLN 36 HE21 GLN 36 -0.490 -3.016 15.655 280 HE22 GLN 36 HE22 GLN 36 0.768 -3.056 16.833 281 H CYS 37 H CYS 37 1.342 -0.595 10.379 282 HA CYS 37 HA CYS 37 -0.052 -3.094 9.933 283 HB2 CYS 37 HB3 CYS 37 -0.743 -0.953 8.833 284 HB3 CYS 37 HB2 CYS 37 0.738 -1.000 7.880 285 HG CYS 37 HG CYS 37 0.104 -3.280 6.482 286 H LYS 38 H LYS 38 3.184 -2.365 10.063 287 HA LYS 38 HA LYS 38 5.063 -3.555 9.750 288 HB2 LYS 38 HB3 LYS 38 3.242 -5.825 8.851 289 HB3 LYS 38 HB2 LYS 38 4.924 -5.992 9.348 290 HG2 LYS 38 HG3 LYS 38 2.645 -5.061 11.144 291 HG3 LYS 38 HG2 LYS 38 3.312 -6.698 11.105 292 HD2 LYS 38 HD3 LYS 38 5.494 -5.837 11.870 293 HD3 LYS 38 HD2 LYS 38 4.863 -4.186 11.862 294 HE2 LYS 38 HE3 LYS 38 3.761 -6.425 13.605 295 HE3 LYS 38 HE2 LYS 38 4.950 -5.235 14.136 296 HZ1 LYS 38 HZ1 LYS 38 3.339 -3.484 13.706 297 HZ2 LYS 38 HZ2 LYS 38 2.728 -4.614 14.807 298 HZ3 LYS 38 HZ3 LYS 38 2.195 -4.627 13.203 299 H VAL 39 H VAL 39 3.575 -2.191 7.350 300 HA VAL 39 HA VAL 39 4.874 -3.464 5.058 301 HB VAL 39 HB VAL 39 3.693 -1.821 3.660 302 HG11 VAL 39 HG11 VAL 39 1.373 -2.538 4.128 303 HG12 VAL 39 HG12 VAL 39 1.855 -3.090 5.734 304 HG13 VAL 39 HG13 VAL 39 2.504 -3.883 4.295 305 HG21 VAL 39 HG21 VAL 39 2.667 -0.604 6.264 306 HG22 VAL 39 HG22 VAL 39 2.102 -0.165 4.648 307 HG23 VAL 39 HG23 VAL 39 3.771 0.160 5.120 308 H LEU 40 H LEU 40 5.419 -0.790 7.212 309 HA LEU 40 HA LEU 40 7.618 0.300 5.553 310 HB2 LEU 40 HB3 LEU 40 5.837 1.834 6.519 311 HB3 LEU 40 HB2 LEU 40 6.421 1.420 8.120 312 HG LEU 40 HG LEU 40 8.678 2.394 7.457 313 HD11 LEU 40 HD11 LEU 40 8.473 2.242 5.021 314 HD12 LEU 40 HD12 LEU 40 8.784 3.902 5.520 315 HD13 LEU 40 HD13 LEU 40 7.155 3.421 5.037 316 HD21 LEU 40 HD21 LEU 40 6.315 4.307 7.407 317 HD22 LEU 40 HD22 LEU 40 7.987 4.732 7.783 318 HD23 LEU 40 HD23 LEU 40 7.093 3.656 8.853 319 H ASN 41 H ASN 41 9.684 -0.235 6.073 320 HA ASN 41 HA ASN 41 10.338 -1.867 8.356 321 HB2 ASN 41 HB3 ASN 41 12.207 -0.493 6.375 322 HB3 ASN 41 HB2 ASN 41 12.659 -1.775 7.498 323 HD21 ASN 41 HD21 ASN 41 12.863 -1.719 4.591 324 HD22 ASN 41 HD22 ASN 41 11.953 -3.071 4.019 325 HA PRO 42 HA PRO 42 11.576 1.313 11.383 326 HB2 PRO 42 HB3 PRO 42 13.858 0.060 12.441 327 HB3 PRO 42 HB2 PRO 42 12.198 -0.275 12.953 328 HG2 PRO 42 HG3 PRO 42 13.904 -1.758 10.951 329 HG3 PRO 42 HG2 PRO 42 12.876 -2.415 12.246 330 HD2 PRO 42 HD3 PRO 42 12.000 -2.416 9.731 331 HD3 PRO 42 HD2 PRO 42 10.880 -1.986 11.045 332 H ASP 43 H ASP 43 13.937 -0.047 9.136 333 HA ASP 43 HA ASP 43 15.915 1.983 9.194 334 HB2 ASP 43 HB3 ASP 43 15.146 0.073 6.940 335 HB3 ASP 43 HB2 ASP 43 16.668 0.964 7.055 336 H ASP 44 H ASP 44 13.024 1.525 7.132 337 HA ASP 44 HA ASP 44 13.455 3.865 5.518 338 HB2 ASP 44 HB3 ASP 44 11.009 2.090 5.878 339 HB3 ASP 44 HB2 ASP 44 11.050 3.449 4.751 340 H GLU 45 H GLU 45 11.519 3.215 8.432 341 HA GLU 45 HA GLU 45 10.199 5.733 8.518 342 HB2 GLU 45 HB3 GLU 45 9.404 3.810 9.862 343 HB3 GLU 45 HB2 GLU 45 10.871 3.874 10.838 344 HG2 GLU 45 HG3 GLU 45 10.261 6.102 11.662 345 HG3 GLU 45 HG2 GLU 45 8.835 6.114 10.634 346 H GLU 46 H GLU 46 13.190 4.559 10.102 347 HA GLU 46 HA GLU 46 14.033 6.879 11.410 348 HB2 GLU 46 HB3 GLU 46 15.140 4.731 11.755 349 HB3 GLU 46 HB2 GLU 46 15.661 4.672 10.080 350 HG2 GLU 46 HG3 GLU 46 17.517 5.203 11.587 351 HG3 GLU 46 HG2 GLU 46 17.214 6.514 10.450 352 H GLN 47 H GLN 47 14.653 5.854 8.050 353 HA GLN 47 HA GLN 47 16.192 7.979 7.096 354 HB2 GLN 47 HB3 GLN 47 15.980 5.971 5.808 355 HB3 GLN 47 HB2 GLN 47 14.232 6.088 5.749 356 HG2 GLN 47 HG3 GLN 47 15.678 8.338 4.435 357 HG3 GLN 47 HG2 GLN 47 15.925 6.767 3.685 358 HE21 GLN 47 HE21 GLN 47 14.125 5.691 2.764 359 HE22 GLN 47 HE22 GLN 47 12.673 6.534 2.371 360 H VAL 48 H VAL 48 12.629 7.678 7.126 361 HA VAL 48 HA VAL 48 12.013 10.184 5.948 362 HB VAL 48 HB VAL 48 10.358 8.400 7.788 363 HG11 VAL 48 HG11 VAL 48 8.365 9.709 7.028 364 HG12 VAL 48 HG12 VAL 48 9.442 10.858 6.233 365 HG13 VAL 48 HG13 VAL 48 9.480 10.682 7.988 366 HG21 VAL 48 HG21 VAL 48 10.923 7.390 5.595 367 HG22 VAL 48 HG22 VAL 48 10.246 8.792 4.764 368 HG23 VAL 48 HG23 VAL 48 9.194 7.732 5.705 369 H LEU 49 H LEU 49 12.171 9.233 9.384 370 HA LEU 49 HA LEU 49 11.437 11.848 10.365 371 HB2 LEU 49 HB3 LEU 49 12.290 9.353 11.870 372 HB3 LEU 49 HB2 LEU 49 11.622 10.803 12.609 373 HG LEU 49 HG LEU 49 10.148 8.912 10.718 374 HD11 LEU 49 HD11 LEU 49 10.483 7.969 12.950 375 HD12 LEU 49 HD12 LEU 49 8.785 8.335 12.665 376 HD13 LEU 49 HD13 LEU 49 9.754 9.400 13.689 377 HD21 LEU 49 HD21 LEU 49 8.133 10.264 11.153 378 HD22 LEU 49 HD22 LEU 49 9.379 11.220 10.356 379 HD23 LEU 49 HD23 LEU 49 9.091 11.418 12.087 380 H SER 50 H SER 50 14.422 10.423 9.475 381 HA SER 50 HA SER 50 16.272 11.806 11.121 382 HB2 SER 50 HB3 SER 50 16.986 10.047 9.556 383 HB3 SER 50 HB2 SER 50 16.501 11.030 8.171 384 HG SER 50 HG SER 50 18.624 11.428 8.347 385 H ASP 51 H ASP 51 14.519 12.795 8.230 386 HA ASP 51 HA ASP 51 14.633 15.577 9.085 387 HB2 ASP 51 HB3 ASP 51 15.117 16.391 6.763 388 HB3 ASP 51 HB2 ASP 51 16.475 15.547 7.493 389 HA PRO 52 HA PRO 52 10.430 14.147 7.865 390 HB2 PRO 52 HB3 PRO 52 9.054 15.144 10.010 391 HB3 PRO 52 HB2 PRO 52 9.931 13.610 10.044 392 HG2 PRO 52 HG3 PRO 52 10.668 16.241 11.235 393 HG3 PRO 52 HG2 PRO 52 11.075 14.606 11.784 394 HD2 PRO 52 HD3 PRO 52 12.764 16.374 10.334 395 HD3 PRO 52 HD2 PRO 52 13.061 14.653 10.643 396 H ASN 53 H ASN 53 10.531 17.465 9.396 397 HA ASN 53 HA ASN 53 8.386 18.234 7.528 398 HB2 ASN 53 HB3 ASN 53 9.334 19.628 10.070 399 HB3 ASN 53 HB2 ASN 53 7.948 20.108 9.093 400 HD21 ASN 53 HD21 ASN 53 7.905 19.423 11.864 401 HD22 ASN 53 HD22 ASN 53 6.908 18.026 12.039 402 H LEU 54 H LEU 54 9.671 18.590 5.691 403 HA LEU 54 HA LEU 54 10.761 21.240 5.417 404 HB2 LEU 54 HB3 LEU 54 13.021 20.761 4.845 405 HB3 LEU 54 HB2 LEU 54 12.728 19.913 6.351 406 HG LEU 54 HG LEU 54 12.813 18.608 3.607 407 HD11 LEU 54 HD11 LEU 54 14.957 17.655 4.267 408 HD12 LEU 54 HD12 LEU 54 14.891 18.519 5.807 409 HD13 LEU 54 HD13 LEU 54 15.025 19.416 4.291 410 HD21 LEU 54 HD21 LEU 54 12.843 16.465 4.761 411 HD22 LEU 54 HD22 LEU 54 11.360 17.356 5.094 412 HD23 LEU 54 HD23 LEU 54 12.636 17.287 6.312 413 H VAL 55 H VAL 55 11.773 21.398 3.039 414 HA VAL 55 HA VAL 55 9.626 20.873 1.255 415 HB VAL 55 HB VAL 55 11.025 21.911 -0.499 416 HG11 VAL 55 HG11 VAL 55 11.231 23.364 2.170 417 HG12 VAL 55 HG12 VAL 55 9.839 23.382 1.085 418 HG13 VAL 55 HG13 VAL 55 11.361 24.116 0.578 419 HG21 VAL 55 HG21 VAL 55 13.352 22.661 -0.018 420 HG22 VAL 55 HG22 VAL 55 13.216 20.903 0.039 421 HG23 VAL 55 HG23 VAL 55 13.296 21.829 1.539 422 H ILE 56 H ILE 56 12.630 19.142 1.832 423 HA ILE 56 HA ILE 56 12.711 17.553 -0.530 424 HB ILE 56 HB ILE 56 13.955 17.010 2.210 425 HG12 ILE 56 HG12 ILE 56 15.147 18.369 -0.260 426 HG13 ILE 56 HG11 ILE 56 14.677 19.182 1.230 427 HG21 ILE 56 HG21 ILE 56 14.677 15.759 -0.471 428 HG22 ILE 56 HG22 ILE 56 13.912 14.936 0.889 429 HG23 ILE 56 HG23 ILE 56 15.565 15.529 1.038 430 HD11 ILE 56 HD11 ILE 56 16.905 17.163 0.927 431 HD12 ILE 56 HD12 ILE 56 16.434 17.957 2.433 432 HD13 ILE 56 HD13 ILE 56 17.077 18.910 1.097 433 H ARG 57 H ARG 57 10.898 17.266 2.447 434 HA ARG 57 HA ARG 57 10.294 14.560 2.607 435 HB2 ARG 57 HB3 ARG 57 9.671 16.137 4.365 436 HB3 ARG 57 HB2 ARG 57 8.532 16.942 3.291 437 HG2 ARG 57 HG3 ARG 57 7.108 14.951 3.237 438 HG3 ARG 57 HG2 ARG 57 8.277 14.055 4.210 439 HD2 ARG 57 HD3 ARG 57 6.380 14.805 5.569 440 HD3 ARG 57 HD2 ARG 57 7.873 15.571 6.105 441 HE ARG 57 HE ARG 57 6.598 17.279 4.276 442 HH11 ARG 57 HH11 ARG 57 6.041 16.073 7.480 443 HH12 ARG 57 HH12 ARG 57 5.192 17.494 7.965 444 HH21 ARG 57 HH21 ARG 57 5.498 19.072 4.941 445 HH22 ARG 57 HH22 ARG 57 4.897 19.163 6.560 446 H LYS 58 H LYS 58 8.779 17.013 0.517 447 HA LYS 58 HA LYS 58 6.637 15.371 -0.401 448 HB2 LYS 58 HB3 LYS 58 7.831 17.897 -1.601 449 HB3 LYS 58 HB2 LYS 58 6.365 17.110 -2.202 450 HG2 LYS 58 HG3 LYS 58 5.446 17.355 0.196 451 HG3 LYS 58 HG2 LYS 58 6.802 18.452 0.485 452 HD2 LYS 58 HD3 LYS 58 5.992 19.980 -1.228 453 HD3 LYS 58 HD2 LYS 58 4.739 18.834 -1.722 454 HE2 LYS 58 HE3 LYS 58 3.691 19.060 0.534 455 HE3 LYS 58 HE2 LYS 58 4.910 20.265 0.959 456 HZ1 LYS 58 HZ1 LYS 58 2.826 21.261 0.246 457 HZ2 LYS 58 HZ2 LYS 58 2.959 20.511 -1.265 458 HZ3 LYS 58 HZ3 LYS 58 4.090 21.677 -0.797 459 H ARG 59 H ARG 59 9.948 15.788 -1.556 460 HA ARG 59 HA ARG 59 9.667 14.069 -3.849 461 HB2 ARG 59 HB3 ARG 59 11.558 15.633 -3.659 462 HB3 ARG 59 HB2 ARG 59 12.135 14.800 -2.217 463 HG2 ARG 59 HG3 ARG 59 12.753 12.849 -3.483 464 HG3 ARG 59 HG2 ARG 59 11.909 13.434 -4.919 465 HD2 ARG 59 HD3 ARG 59 14.377 14.697 -3.675 466 HD3 ARG 59 HD2 ARG 59 14.350 13.696 -5.134 467 HE ARG 59 HE ARG 59 12.664 16.071 -5.185 468 HH11 ARG 59 HH11 ARG 59 15.715 14.730 -6.103 469 HH12 ARG 59 HH12 ARG 59 16.024 15.986 -7.247 470 HH21 ARG 59 HH21 ARG 59 13.089 17.649 -6.659 471 HH22 ARG 59 HH22 ARG 59 14.566 17.608 -7.559 472 H LYS 60 H LYS 60 10.589 13.600 -0.462 473 HA LYS 60 HA LYS 60 11.155 10.836 -0.523 474 HB2 LYS 60 HB3 LYS 60 10.216 12.537 1.823 475 HB3 LYS 60 HB2 LYS 60 10.910 10.919 1.961 476 HG2 LYS 60 HG3 LYS 60 13.042 11.715 1.064 477 HG3 LYS 60 HG2 LYS 60 12.355 13.310 0.768 478 HD2 LYS 60 HD3 LYS 60 13.712 13.432 2.761 479 HD3 LYS 60 HD2 LYS 60 12.020 13.583 3.240 480 HE2 LYS 60 HE3 LYS 60 11.995 11.256 3.998 481 HE3 LYS 60 HE2 LYS 60 13.639 11.011 3.405 482 HZ1 LYS 60 HZ1 LYS 60 13.660 11.373 5.753 483 HZ2 LYS 60 HZ2 LYS 60 12.809 12.825 5.603 484 HZ3 LYS 60 HZ3 LYS 60 14.380 12.698 4.994 485 H VAL 61 H VAL 61 8.017 12.501 -0.400 486 HA VAL 61 HA VAL 61 6.373 10.252 0.202 487 HB VAL 61 HB VAL 61 5.595 12.457 -1.766 488 HG11 VAL 61 HG11 VAL 61 3.864 10.689 0.023 489 HG12 VAL 61 HG12 VAL 61 4.031 10.550 -1.730 490 HG13 VAL 61 HG13 VAL 61 3.269 11.979 -1.029 491 HG21 VAL 61 HG21 VAL 61 6.401 13.523 0.289 492 HG22 VAL 61 HG22 VAL 61 5.302 12.539 1.250 493 HG23 VAL 61 HG23 VAL 61 4.657 13.727 0.118 494 H GLY 62 H GLY 62 7.557 11.527 -2.937 495 HA2 GLY 62 HA3 GLY 62 6.488 9.537 -4.642 496 HA3 GLY 62 HA2 GLY 62 7.891 10.537 -4.994 497 H VAL 63 H VAL 63 9.614 9.712 -2.950 498 HA VAL 63 HA VAL 63 10.705 7.222 -3.760 499 HB VAL 63 HB VAL 63 11.139 8.784 -1.169 500 HG11 VAL 63 HG11 VAL 63 13.278 7.555 -0.944 501 HG12 VAL 63 HG12 VAL 63 12.871 6.572 -2.352 502 HG13 VAL 63 HG13 VAL 63 11.898 6.456 -0.884 503 HG21 VAL 63 HG21 VAL 63 11.689 10.117 -3.167 504 HG22 VAL 63 HG22 VAL 63 12.737 8.830 -3.769 505 HG23 VAL 63 HG23 VAL 63 13.161 9.694 -2.289 506 H LEU 64 H LEU 64 8.568 8.102 -1.052 507 HA LEU 64 HA LEU 64 8.469 5.675 0.349 508 HB2 LEU 64 HB3 LEU 64 7.566 7.796 1.264 509 HB3 LEU 64 HB2 LEU 64 6.289 7.780 0.062 510 HG LEU 64 HG LEU 64 5.503 5.559 1.119 511 HD11 LEU 64 HD11 LEU 64 7.332 6.411 3.379 512 HD12 LEU 64 HD12 LEU 64 7.521 4.982 2.357 513 HD13 LEU 64 HD13 LEU 64 6.137 5.112 3.439 514 HD21 LEU 64 HD21 LEU 64 4.250 7.630 1.427 515 HD22 LEU 64 HD22 LEU 64 5.279 8.086 2.784 516 HD23 LEU 64 HD23 LEU 64 4.231 6.674 2.908 517 H LEU 65 H LEU 65 6.546 6.787 -2.438 518 HA LEU 65 HA LEU 65 4.640 4.734 -2.616 519 HB2 LEU 65 HB3 LEU 65 5.977 6.263 -4.888 520 HB3 LEU 65 HB2 LEU 65 4.503 5.317 -5.048 521 HG LEU 65 HG LEU 65 4.804 7.831 -3.345 522 HD11 LEU 65 HD11 LEU 65 3.349 8.922 -5.004 523 HD12 LEU 65 HD12 LEU 65 3.368 7.462 -5.997 524 HD13 LEU 65 HD13 LEU 65 4.859 8.369 -5.727 525 HD21 LEU 65 HD21 LEU 65 2.359 7.702 -3.040 526 HD22 LEU 65 HD22 LEU 65 3.174 6.299 -2.354 527 HD23 LEU 65 HD23 LEU 65 2.327 6.157 -3.897 528 H ASP 66 H ASP 66 7.949 4.885 -3.925 529 HA ASP 66 HA ASP 66 7.926 2.326 -5.222 530 HB2 ASP 66 HB3 ASP 66 9.442 4.201 -5.897 531 HB3 ASP 66 HB2 ASP 66 10.314 4.024 -4.374 532 H ILE 67 H ILE 67 9.064 3.445 -2.030 533 HA ILE 67 HA ILE 67 10.165 1.052 -1.009 534 HB ILE 67 HB ILE 67 8.689 3.292 0.460 535 HG12 ILE 67 HG12 ILE 67 11.692 2.818 0.128 536 HG13 ILE 67 HG11 ILE 67 10.752 4.016 -0.756 537 HG21 ILE 67 HG21 ILE 67 8.675 1.293 1.888 538 HG22 ILE 67 HG22 ILE 67 9.770 2.503 2.553 539 HG23 ILE 67 HG23 ILE 67 10.420 1.109 1.689 540 HD11 ILE 67 HD11 ILE 67 11.279 3.987 2.219 541 HD12 ILE 67 HD12 ILE 67 10.277 5.172 1.375 542 HD13 ILE 67 HD13 ILE 67 12.000 5.062 1.021 543 H LEU 68 H LEU 68 6.827 2.253 -0.974 544 HA LEU 68 HA LEU 68 5.717 -0.034 0.371 545 HB2 LEU 68 HB3 LEU 68 4.403 2.304 -1.044 546 HB3 LEU 68 HB2 LEU 68 3.518 1.067 -0.160 547 HG LEU 68 HG LEU 68 5.549 2.980 1.078 548 HD11 LEU 68 HD11 LEU 68 3.543 4.164 0.361 549 HD12 LEU 68 HD12 LEU 68 3.621 4.084 2.118 550 HD13 LEU 68 HD13 LEU 68 2.518 3.021 1.236 551 HD21 LEU 68 HD21 LEU 68 3.714 0.968 2.439 552 HD22 LEU 68 HD22 LEU 68 4.772 2.127 3.251 553 HD23 LEU 68 HD23 LEU 68 5.469 0.834 2.280 554 H GLN 69 H GLN 69 6.278 0.856 -2.990 555 HA GLN 69 HA GLN 69 4.724 -1.195 -4.215 556 HB2 GLN 69 HB3 GLN 69 5.584 0.684 -5.528 557 HB3 GLN 69 HB2 GLN 69 7.246 0.211 -5.193 558 HG2 GLN 69 HG3 GLN 69 6.951 -1.848 -6.513 559 HG3 GLN 69 HG2 GLN 69 5.260 -1.432 -6.800 560 HE21 GLN 69 HE21 GLN 69 8.586 -0.566 -7.537 561 HE22 GLN 69 HE22 GLN 69 8.223 0.369 -8.938 562 H ARG 70 H ARG 70 7.987 -1.196 -2.821 563 HA ARG 70 HA ARG 70 8.855 -3.772 -3.578 564 HB2 ARG 70 HB3 ARG 70 9.406 -2.272 -0.985 565 HB3 ARG 70 HB2 ARG 70 10.310 -3.684 -1.536 566 HG2 ARG 70 HG3 ARG 70 11.107 -2.421 -3.495 567 HG3 ARG 70 HG2 ARG 70 10.169 -1.015 -2.983 568 HD2 ARG 70 HD3 ARG 70 12.543 -0.781 -2.388 569 HD3 ARG 70 HD2 ARG 70 11.525 -0.825 -0.944 570 HE ARG 70 HE ARG 70 12.295 -3.420 -1.278 571 HH11 ARG 70 HH11 ARG 70 14.109 -0.485 -1.059 572 HH12 ARG 70 HH12 ARG 70 15.438 -1.263 -0.281 573 HH21 ARG 70 HH21 ARG 70 14.006 -4.362 -0.292 574 HH22 ARG 70 HH22 ARG 70 15.375 -3.413 0.163 575 H THR 71 H THR 71 6.780 -2.751 -0.889 576 HA THR 71 HA THR 71 6.096 -5.551 -0.205 577 HB THR 71 HB THR 71 6.728 -4.117 1.691 578 HG1 THR 71 HG1 THR 71 5.299 -5.593 2.367 579 HG21 THR 71 HG21 THR 71 6.055 -1.917 0.857 580 HG22 THR 71 HG22 THR 71 5.319 -2.230 2.430 581 HG23 THR 71 HG23 THR 71 4.355 -2.374 0.959 582 H GLY 72 H GLY 72 5.217 -4.165 -2.678 583 HA2 GLY 72 HA3 GLY 72 3.074 -2.633 -2.895 584 HA3 GLY 72 HA2 GLY 72 3.398 -3.908 -4.040 585 H HIS 73 H HIS 73 2.639 -6.162 -2.484 586 HA HIS 73 HA HIS 73 -0.104 -6.270 -3.131 587 HB2 HIS 73 HB2 HIS 73 1.522 -8.109 -1.326 588 HB3 HIS 73 HB1 HIS 73 -0.109 -8.469 -1.883 589 HD1 HIS 73 HD1 HIS 73 -0.355 -9.436 -4.201 590 HD2 HIS 73 HD2 HIS 73 3.513 -8.145 -3.419 591 HE1 HIS 73 HE1 HIS 73 1.038 -10.322 -6.082 592 HE2 HIS 73 HE2 HIS 73 3.306 -9.314 -5.711 593 H LYS 74 H LYS 74 1.264 -6.400 0.223 594 HA LYS 74 HA LYS 74 -1.296 -5.616 1.369 595 HB2 LYS 74 HB3 LYS 74 0.153 -7.245 2.542 596 HB3 LYS 74 HB2 LYS 74 1.404 -6.017 2.724 597 HG2 LYS 74 HG3 LYS 74 -0.028 -4.703 4.193 598 HG3 LYS 74 HG2 LYS 74 -1.388 -5.790 3.903 599 HD2 LYS 74 HD3 LYS 74 -0.164 -7.622 5.037 600 HD3 LYS 74 HD2 LYS 74 1.205 -6.538 5.314 601 HE2 LYS 74 HE3 LYS 74 -0.257 -6.799 7.322 602 HE3 LYS 74 HE2 LYS 74 -0.146 -5.126 6.770 603 HZ1 LYS 74 HZ1 LYS 74 -2.295 -5.359 5.715 604 HZ2 LYS 74 HZ2 LYS 74 -2.409 -5.768 7.348 605 HZ3 LYS 74 HZ3 LYS 74 -2.388 -6.983 6.178 606 H GLY 75 H GLY 75 1.745 -4.090 0.592 607 HA2 GLY 75 HA3 GLY 75 1.700 -1.756 2.128 608 HA3 GLY 75 HA2 GLY 75 2.549 -1.956 0.605 609 H TYR 76 H TYR 76 0.261 -2.376 -1.069 610 HA TYR 76 HA TYR 76 -0.549 0.266 -1.680 611 HB2 TYR 76 HB2 TYR 76 -0.460 -1.543 -3.364 612 HB3 TYR 76 HB1 TYR 76 -1.788 -2.378 -2.567 613 HD1 TYR 76 HD1 TYR 76 -3.983 -1.999 -3.374 614 HD2 TYR 76 HD2 TYR 76 -0.971 0.927 -4.170 615 HE1 TYR 76 HE1 TYR 76 -5.577 -0.735 -4.756 616 HE2 TYR 76 HE2 TYR 76 -2.561 2.183 -5.543 617 HH TYR 76 HH TYR 76 -5.878 1.637 -5.513 618 H VAL 77 H VAL 77 -2.453 -2.420 -0.285 619 HA VAL 77 HA VAL 77 -4.848 -0.975 0.156 620 HB VAL 77 HB VAL 77 -3.890 -3.453 1.667 621 HG11 VAL 77 HG11 VAL 77 -6.300 -3.926 2.007 622 HG12 VAL 77 HG12 VAL 77 -6.717 -2.413 1.201 623 HG13 VAL 77 HG13 VAL 77 -5.842 -2.382 2.735 624 HG21 VAL 77 HG21 VAL 77 -5.448 -3.309 -0.950 625 HG22 VAL 77 HG22 VAL 77 -5.092 -4.785 -0.048 626 HG23 VAL 77 HG23 VAL 77 -3.778 -3.852 -0.764 627 H ALA 78 H ALA 78 -2.097 -1.683 2.270 628 HA ALA 78 HA ALA 78 -2.980 -0.542 4.687 629 HB1 ALA 78 HB1 ALA 78 -0.129 -0.828 3.686 630 HB2 ALA 78 HB2 ALA 78 -1.052 -2.072 4.527 631 HB3 ALA 78 HB3 ALA 78 -0.626 -0.581 5.366 632 H PHE 79 H PHE 79 -1.156 0.858 1.961 633 HA PHE 79 HA PHE 79 -0.794 3.457 3.034 634 HB2 PHE 79 HB2 PHE 79 0.400 2.545 1.001 635 HB3 PHE 79 HB1 PHE 79 -1.096 2.720 0.088 636 HD1 PHE 79 HD1 PHE 79 -0.808 4.500 -1.452 637 HD2 PHE 79 HD2 PHE 79 0.661 4.963 2.539 638 HE1 PHE 79 HE1 PHE 79 -0.143 6.818 -1.956 639 HE2 PHE 79 HE2 PHE 79 1.319 7.261 2.035 640 HZ PHE 79 HZ PHE 79 0.924 8.204 -0.215 641 H LEU 80 H LEU 80 -3.383 2.071 0.990 642 HA LEU 80 HA LEU 80 -5.001 4.389 0.802 643 HB2 LEU 80 HB3 LEU 80 -5.746 1.451 0.635 644 HB3 LEU 80 HB2 LEU 80 -6.833 2.765 0.214 645 HG LEU 80 HG LEU 80 -4.247 2.035 -1.218 646 HD11 LEU 80 HD11 LEU 80 -5.721 1.527 -3.114 647 HD12 LEU 80 HD12 LEU 80 -7.137 1.895 -2.124 648 HD13 LEU 80 HD13 LEU 80 -6.093 0.531 -1.709 649 HD21 LEU 80 HD21 LEU 80 -6.126 4.353 -1.808 650 HD22 LEU 80 HD22 LEU 80 -4.782 3.834 -2.829 651 HD23 LEU 80 HD23 LEU 80 -4.466 4.472 -1.219 652 H GLU 81 H GLU 81 -4.814 1.917 3.329 653 HA GLU 81 HA GLU 81 -7.125 2.755 4.814 654 HB2 GLU 81 HB3 GLU 81 -4.716 1.065 5.601 655 HB3 GLU 81 HB2 GLU 81 -6.078 1.372 6.680 656 HG2 GLU 81 HG3 GLU 81 -7.602 0.297 5.066 657 HG3 GLU 81 HG2 GLU 81 -6.246 -0.012 3.985 658 H SER 82 H SER 82 -3.616 3.482 5.073 659 HA SER 82 HA SER 82 -3.775 5.224 7.318 660 HB2 SER 82 HB3 SER 82 -1.545 6.020 6.717 661 HB3 SER 82 HB2 SER 82 -1.606 4.285 6.432 662 HG SER 82 HG SER 82 -1.408 4.608 4.348 663 H LEU 83 H LEU 83 -4.147 5.778 3.846 664 HA LEU 83 HA LEU 83 -4.510 8.605 4.021 665 HB2 LEU 83 HB3 LEU 83 -5.332 6.684 1.817 666 HB3 LEU 83 HB2 LEU 83 -5.384 8.440 1.694 667 HG LEU 83 HG LEU 83 -2.919 6.678 1.907 668 HD11 LEU 83 HD11 LEU 83 -3.834 6.834 -0.330 669 HD12 LEU 83 HD12 LEU 83 -2.303 7.707 -0.237 670 HD13 LEU 83 HD13 LEU 83 -3.827 8.600 -0.246 671 HD21 LEU 83 HD21 LEU 83 -1.548 8.724 1.901 672 HD22 LEU 83 HD22 LEU 83 -2.514 8.580 3.364 673 HD23 LEU 83 HD23 LEU 83 -3.003 9.706 2.093 674 H GLU 84 H GLU 84 -6.794 5.851 4.126 675 HA GLU 84 HA GLU 84 -9.163 7.405 3.954 676 HB2 GLU 84 HB3 GLU 84 -9.155 4.955 3.626 677 HB3 GLU 84 HB2 GLU 84 -8.773 4.715 5.329 678 HG2 GLU 84 HG3 GLU 84 -10.925 5.554 6.015 679 HG3 GLU 84 HG2 GLU 84 -11.288 6.118 4.383 680 H LEU 85 H LEU 85 -7.029 6.731 6.666 681 HA LEU 85 HA LEU 85 -8.858 7.842 8.652 682 HB2 LEU 85 HB3 LEU 85 -5.979 6.915 8.942 683 HB3 LEU 85 HB2 LEU 85 -7.051 7.356 10.266 684 HG LEU 85 HG LEU 85 -7.311 4.944 8.426 685 HD11 LEU 85 HD11 LEU 85 -6.813 5.111 11.414 686 HD12 LEU 85 HD12 LEU 85 -5.629 4.691 10.174 687 HD13 LEU 85 HD13 LEU 85 -7.000 3.628 10.470 688 HD21 LEU 85 HD21 LEU 85 -9.560 5.808 8.842 689 HD22 LEU 85 HD22 LEU 85 -9.262 5.841 10.583 690 HD23 LEU 85 HD23 LEU 85 -9.315 4.301 9.720 691 H TYR 86 H TYR 86 -5.659 8.744 7.271 692 HA TYR 86 HA TYR 86 -5.557 11.193 8.857 693 HB2 TYR 86 HB2 TYR 86 -3.545 9.874 6.996 694 HB3 TYR 86 HB1 TYR 86 -3.248 11.422 7.779 695 HD1 TYR 86 HD1 TYR 86 -2.261 11.462 9.942 696 HD2 TYR 86 HD2 TYR 86 -4.076 7.835 8.590 697 HE1 TYR 86 HE1 TYR 86 -1.372 10.278 11.904 698 HE2 TYR 86 HE2 TYR 86 -3.185 6.653 10.551 699 HH TYR 86 HH TYR 86 -1.796 8.289 13.222 700 H TYR 87 H TYR 87 -5.981 10.364 5.406 701 HA TYR 87 HA TYR 87 -6.736 13.192 4.865 702 HB2 TYR 87 HB2 TYR 87 -4.953 11.452 3.084 703 HB3 TYR 87 HB1 TYR 87 -5.629 12.997 2.587 704 HD1 TYR 87 HD1 TYR 87 -2.773 11.440 4.062 705 HD2 TYR 87 HD2 TYR 87 -5.067 15.053 4.131 706 HE1 TYR 87 HE1 TYR 87 -0.856 12.651 5.029 707 HE2 TYR 87 HE2 TYR 87 -3.149 16.251 5.087 708 HH TYR 87 HH TYR 87 -0.044 15.059 5.111 709 HA PRO 88 HA PRO 88 -9.793 9.618 3.604 710 HB2 PRO 88 HB3 PRO 88 -12.099 10.933 4.583 711 HB3 PRO 88 HB2 PRO 88 -11.171 9.698 5.440 712 HG2 PRO 88 HG3 PRO 88 -11.009 12.696 5.669 713 HG3 PRO 88 HG2 PRO 88 -10.950 11.465 6.951 714 HD2 PRO 88 HD3 PRO 88 -8.707 12.658 6.113 715 HD3 PRO 88 HD2 PRO 88 -8.704 10.925 6.499 716 H GLN 89 H GLN 89 -10.231 13.126 3.288 717 HA GLN 89 HA GLN 89 -12.036 13.158 1.107 718 HB2 GLN 89 HB3 GLN 89 -11.672 15.106 2.576 719 HB3 GLN 89 HB2 GLN 89 -10.014 15.251 2.013 720 HG2 GLN 89 HG3 GLN 89 -11.463 16.945 0.994 721 HG3 GLN 89 HG2 GLN 89 -10.790 15.870 -0.226 722 HE21 GLN 89 HE21 GLN 89 -12.196 14.511 -1.383 723 HE22 GLN 89 HE22 GLN 89 -13.911 14.695 -1.334 724 H LEU 90 H LEU 90 -8.449 13.258 1.204 725 HA LEU 90 HA LEU 90 -8.157 13.508 -1.644 726 HB2 LEU 90 HB3 LEU 90 -6.379 14.252 -0.030 727 HB3 LEU 90 HB2 LEU 90 -6.047 12.561 0.332 728 HG LEU 90 HG LEU 90 -5.457 12.181 -2.083 729 HD11 LEU 90 HD11 LEU 90 -5.134 14.069 -3.585 730 HD12 LEU 90 HD12 LEU 90 -5.774 15.182 -2.378 731 HD13 LEU 90 HD13 LEU 90 -6.818 13.947 -3.091 732 HD21 LEU 90 HD21 LEU 90 -3.840 14.377 -0.779 733 HD22 LEU 90 HD22 LEU 90 -3.292 13.296 -2.063 734 HD23 LEU 90 HD23 LEU 90 -3.678 12.650 -0.470 735 H TYR 91 H TYR 91 -7.871 10.769 0.625 736 HA TYR 91 HA TYR 91 -7.317 8.643 -1.061 737 HB2 TYR 91 HB2 TYR 91 -7.457 8.246 1.311 738 HB3 TYR 91 HB1 TYR 91 -9.116 8.827 1.390 739 HD1 TYR 91 HD1 TYR 91 -10.808 7.192 1.566 740 HD2 TYR 91 HD2 TYR 91 -7.138 6.126 -0.349 741 HE1 TYR 91 HE1 TYR 91 -11.612 4.883 1.308 742 HE2 TYR 91 HE2 TYR 91 -7.953 3.826 -0.609 743 HH TYR 91 HH TYR 91 -11.212 2.920 -0.029 744 H LYS 92 H LYS 92 -10.472 10.089 -0.321 745 HA LYS 92 HA LYS 92 -12.105 8.574 -2.032 746 HB2 LYS 92 HB3 LYS 92 -12.861 10.099 -0.174 747 HB3 LYS 92 HB2 LYS 92 -12.472 11.480 -1.195 748 HG2 LYS 92 HG3 LYS 92 -14.180 10.714 -2.836 749 HG3 LYS 92 HG2 LYS 92 -14.567 9.359 -1.766 750 HD2 LYS 92 HD3 LYS 92 -15.184 11.036 0.017 751 HD3 LYS 92 HD2 LYS 92 -14.932 12.322 -1.166 752 HE2 LYS 92 HE3 LYS 92 -17.313 11.801 -0.978 753 HE3 LYS 92 HE2 LYS 92 -16.730 11.335 -2.579 754 HZ1 LYS 92 HZ1 LYS 92 -16.597 9.047 -1.834 755 HZ2 LYS 92 HZ2 LYS 92 -18.161 9.646 -1.597 756 HZ3 LYS 92 HZ3 LYS 92 -17.110 9.485 -0.282 757 H LYS 93 H LYS 93 -10.434 11.689 -2.594 758 HA LYS 93 HA LYS 93 -11.535 12.283 -5.126 759 HB2 LYS 93 HB3 LYS 93 -10.461 13.921 -3.553 760 HB3 LYS 93 HB2 LYS 93 -8.884 13.267 -3.989 761 HG2 LYS 93 HG3 LYS 93 -9.174 14.019 -6.305 762 HG3 LYS 93 HG2 LYS 93 -10.818 14.562 -5.947 763 HD2 LYS 93 HD3 LYS 93 -9.833 16.205 -4.287 764 HD3 LYS 93 HD2 LYS 93 -8.226 15.722 -4.842 765 HE2 LYS 93 HE3 LYS 93 -10.393 16.981 -6.571 766 HE3 LYS 93 HE2 LYS 93 -8.975 17.812 -5.927 767 HZ1 LYS 93 HZ1 LYS 93 -8.934 15.544 -7.845 768 HZ2 LYS 93 HZ2 LYS 93 -7.570 16.321 -7.215 769 HZ3 LYS 93 HZ3 LYS 93 -8.637 17.167 -8.215 770 H VAL 94 H VAL 94 -8.371 10.776 -4.340 771 HA VAL 94 HA VAL 94 -7.487 10.633 -7.077 772 HB VAL 94 HB VAL 94 -5.535 9.386 -6.246 773 HG11 VAL 94 HG11 VAL 94 -6.229 11.763 -4.475 774 HG12 VAL 94 HG12 VAL 94 -5.493 11.837 -6.079 775 HG13 VAL 94 HG13 VAL 94 -4.609 11.115 -4.736 776 HG21 VAL 94 HG21 VAL 94 -5.258 8.842 -3.831 777 HG22 VAL 94 HG22 VAL 94 -6.600 7.947 -4.547 778 HG23 VAL 94 HG23 VAL 94 -6.922 9.351 -3.526 779 H THR 95 H THR 95 -9.494 8.588 -5.170 780 HA THR 95 HA THR 95 -9.259 6.330 -7.084 781 HB THR 95 HB THR 95 -10.622 5.013 -5.490 782 HG1 THR 95 HG1 THR 95 -10.594 7.373 -3.883 783 HG21 THR 95 HG21 THR 95 -9.015 4.851 -3.618 784 HG22 THR 95 HG22 THR 95 -8.293 6.390 -4.092 785 HG23 THR 95 HG23 THR 95 -8.170 4.992 -5.162 786 H GLY 96 H GLY 96 -10.867 9.154 -6.984 787 HA2 GLY 96 HA3 GLY 96 -12.461 9.606 -8.770 788 HA3 GLY 96 HA2 GLY 96 -13.284 8.106 -8.380 789 H LYS 97 H LYS 97 -14.953 8.164 -6.939 790 HA LYS 97 HA LYS 97 -15.212 10.261 -4.949 791 HB2 LYS 97 HB3 LYS 97 -17.494 10.985 -5.629 792 HB3 LYS 97 HB2 LYS 97 -16.265 11.422 -6.800 793 HG2 LYS 97 HG3 LYS 97 -18.162 9.066 -7.142 794 HG3 LYS 97 HG2 LYS 97 -18.479 10.683 -7.768 795 HD2 LYS 97 HD3 LYS 97 -16.140 8.895 -8.565 796 HD3 LYS 97 HD2 LYS 97 -17.613 9.150 -9.510 797 HE2 LYS 97 HE3 LYS 97 -15.545 11.277 -8.814 798 HE3 LYS 97 HE2 LYS 97 -15.760 10.508 -10.387 799 HZ1 LYS 97 HZ1 LYS 97 -17.756 12.235 -9.010 800 HZ2 LYS 97 HZ2 LYS 97 -17.981 11.485 -10.505 801 HZ3 LYS 97 HZ3 LYS 97 -16.801 12.678 -10.333 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -14.326 -10.934 -17.068 2 H2 MET 1 HT2 MET 1 -14.330 -9.507 -17.980 3 H3 MET 1 HT3 MET 1 -13.429 -9.596 -16.548 4 HA MET 1 HA MET 1 -12.941 -11.205 -18.992 5 HB2 MET 1 HB2 MET 1 -10.941 -9.804 -19.338 6 HB3 MET 1 HB1 MET 1 -12.377 -8.790 -19.301 7 HG2 MET 1 HG2 MET 1 -11.857 -8.054 -17.048 8 HG3 MET 1 HG1 MET 1 -10.501 -9.182 -16.957 9 HE1 MET 1 HE1 MET 1 -8.720 -7.408 -16.271 10 HE2 MET 1 HE2 MET 1 -10.001 -6.198 -16.159 11 HE3 MET 1 HE3 MET 1 -8.527 -5.843 -17.060 12 H SER 2 H SER 2 -10.187 -11.553 -18.590 13 HA SER 2 HA SER 2 -9.977 -13.217 -16.206 14 HB2 SER 2 HB3 SER 2 -8.888 -13.925 -18.342 15 HB3 SER 2 HB2 SER 2 -7.829 -12.517 -18.260 16 HG SER 2 HG SER 2 -7.972 -14.415 -16.155 17 H ASP 3 H ASP 3 -10.480 -11.308 -14.807 18 HA ASP 3 HA ASP 3 -8.210 -9.476 -14.311 19 HB2 ASP 3 HB3 ASP 3 -9.958 -8.169 -12.921 20 HB3 ASP 3 HB2 ASP 3 -10.124 -8.151 -14.669 21 H TYR 4 H TYR 4 -6.925 -10.968 -13.178 22 HA TYR 4 HA TYR 4 -7.599 -11.996 -10.582 23 HB2 TYR 4 HB2 TYR 4 -5.715 -12.963 -11.766 24 HB3 TYR 4 HB1 TYR 4 -4.935 -11.397 -11.937 25 HD1 TYR 4 HD1 TYR 4 -5.978 -13.904 -9.346 26 HD2 TYR 4 HD2 TYR 4 -3.312 -10.707 -10.320 27 HE1 TYR 4 HE1 TYR 4 -4.706 -14.335 -7.293 28 HE2 TYR 4 HE2 TYR 4 -2.038 -11.139 -8.262 29 HH TYR 4 HH TYR 4 -2.467 -12.178 -6.018 30 H GLU 5 H GLU 5 -6.231 -9.014 -11.817 31 HA GLU 5 HA GLU 5 -5.832 -6.961 -11.083 32 HB2 GLU 5 HB3 GLU 5 -8.175 -7.012 -10.271 33 HB3 GLU 5 HB2 GLU 5 -7.625 -7.624 -8.717 34 HG2 GLU 5 HG3 GLU 5 -8.078 -5.247 -8.536 35 HG3 GLU 5 HG2 GLU 5 -6.350 -5.529 -8.351 36 H ASN 6 H ASN 6 -3.753 -6.625 -10.603 37 HA ASN 6 HA ASN 6 -2.672 -7.641 -8.037 38 HB2 ASN 6 HB3 ASN 6 -0.472 -7.701 -9.047 39 HB3 ASN 6 HB2 ASN 6 -1.590 -8.583 -10.080 40 HD21 ASN 6 HD21 ASN 6 0.526 -5.869 -9.831 41 HD22 ASN 6 HD22 ASN 6 0.385 -5.339 -11.470 42 H ASP 7 H ASP 7 -1.675 -6.342 -6.687 43 HA ASP 7 HA ASP 7 -2.341 -3.707 -6.276 44 HB2 ASP 7 HB3 ASP 7 -0.375 -3.796 -4.617 45 HB3 ASP 7 HB2 ASP 7 -1.600 -5.048 -4.463 46 H ASP 8 H ASP 8 0.622 -4.906 -7.846 47 HA ASP 8 HA ASP 8 2.124 -2.525 -7.878 48 HB2 ASP 8 HB3 ASP 8 3.032 -4.826 -8.249 49 HB3 ASP 8 HB2 ASP 8 2.260 -4.869 -9.829 50 H GLU 9 H GLU 9 -0.252 -3.766 -10.224 51 HA GLU 9 HA GLU 9 0.096 -1.551 -12.079 52 HB2 GLU 9 HB3 GLU 9 -0.576 -3.877 -12.819 53 HB3 GLU 9 HB2 GLU 9 -2.131 -3.628 -12.034 54 HG2 GLU 9 HG3 GLU 9 -2.543 -1.688 -13.552 55 HG3 GLU 9 HG2 GLU 9 -1.015 -2.029 -14.364 56 H CYS 10 H CYS 10 -1.975 -2.329 -9.342 57 HA CYS 10 HA CYS 10 -3.929 -0.282 -9.681 58 HB2 CYS 10 HB3 CYS 10 -2.906 -1.573 -7.128 59 HB3 CYS 10 HB2 CYS 10 -4.376 -0.611 -7.263 60 HG CYS 10 HG CYS 10 -4.230 -3.207 -9.373 61 H TRP 11 H TRP 11 -0.708 -0.295 -8.168 62 HA TRP 11 HA TRP 11 -0.635 2.342 -7.159 63 HB2 TRP 11 HB2 TRP 11 1.526 0.414 -8.062 64 HB3 TRP 11 HB1 TRP 11 1.954 2.058 -7.608 65 HD1 TRP 11 HD1 TRP 11 1.215 -1.310 -6.074 66 HE1 TRP 11 HE1 TRP 11 1.345 -1.124 -3.514 67 HE3 TRP 11 HE3 TRP 11 1.359 3.792 -5.614 68 HZ2 TRP 11 HZ2 TRP 11 1.494 0.893 -1.557 69 HZ3 TRP 11 HZ3 TRP 11 1.494 4.771 -3.357 70 HH2 TRP 11 HH2 TRP 11 1.559 3.348 -1.368 71 H SER 12 H SER 12 -0.224 1.107 -10.428 72 HA SER 12 HA SER 12 0.852 3.412 -11.663 73 HB2 SER 12 HB3 SER 12 0.888 1.278 -12.820 74 HB3 SER 12 HB2 SER 12 -0.873 1.206 -12.844 75 HG SER 12 HG SER 12 -0.534 2.051 -14.759 76 H VAL 13 H VAL 13 -2.423 2.698 -10.656 77 HA VAL 13 HA VAL 13 -3.729 4.840 -12.077 78 HB VAL 13 HB VAL 13 -4.667 3.381 -9.564 79 HG11 VAL 13 HG11 VAL 13 -5.911 5.472 -9.901 80 HG12 VAL 13 HG12 VAL 13 -6.955 4.093 -10.243 81 HG13 VAL 13 HG13 VAL 13 -6.264 5.024 -11.572 82 HG21 VAL 13 HG21 VAL 13 -5.243 2.717 -12.481 83 HG22 VAL 13 HG22 VAL 13 -5.984 1.925 -11.089 84 HG23 VAL 13 HG23 VAL 13 -4.249 1.767 -11.371 85 H LEU 14 H LEU 14 -2.557 4.443 -8.694 86 HA LEU 14 HA LEU 14 -3.324 7.053 -7.810 87 HB2 LEU 14 HB3 LEU 14 -1.366 5.092 -6.573 88 HB3 LEU 14 HB2 LEU 14 -1.881 6.583 -5.800 89 HG LEU 14 HG LEU 14 -3.535 4.094 -6.340 90 HD11 LEU 14 HD11 LEU 14 -2.876 5.567 -3.768 91 HD12 LEU 14 HD12 LEU 14 -2.150 4.057 -4.326 92 HD13 LEU 14 HD13 LEU 14 -3.860 4.106 -3.912 93 HD21 LEU 14 HD21 LEU 14 -4.605 6.789 -5.419 94 HD22 LEU 14 HD22 LEU 14 -5.505 5.270 -5.427 95 HD23 LEU 14 HD23 LEU 14 -4.969 5.979 -6.945 96 H GLU 15 H GLU 15 -0.356 5.840 -9.316 97 HA GLU 15 HA GLU 15 1.318 8.038 -8.528 98 HB2 GLU 15 HB3 GLU 15 3.005 7.155 -9.988 99 HB3 GLU 15 HB2 GLU 15 2.214 5.794 -9.203 100 HG2 GLU 15 HG3 GLU 15 0.922 5.349 -11.246 101 HG3 GLU 15 HG2 GLU 15 1.674 6.733 -12.037 102 H GLY 16 H GLY 16 -1.046 7.675 -11.064 103 HA2 GLY 16 HA3 GLY 16 -0.399 9.840 -12.743 104 HA3 GLY 16 HA2 GLY 16 -2.031 9.307 -12.359 105 H PHE 17 H PHE 17 -1.590 9.773 -9.465 106 HA PHE 17 HA PHE 17 -1.831 12.713 -9.300 107 HB2 PHE 17 HB2 PHE 17 -2.625 10.483 -7.365 108 HB3 PHE 17 HB1 PHE 17 -2.788 12.196 -7.004 109 HD1 PHE 17 HD1 PHE 17 -4.018 9.481 -9.244 110 HD2 PHE 17 HD2 PHE 17 -4.645 13.458 -7.793 111 HE1 PHE 17 HE1 PHE 17 -6.254 9.512 -10.272 112 HE2 PHE 17 HE2 PHE 17 -6.873 13.472 -8.819 113 HZ PHE 17 HZ PHE 17 -7.684 11.508 -10.060 114 H ARG 18 H ARG 18 0.829 11.078 -9.409 115 HA ARG 18 HA ARG 18 2.057 10.653 -6.972 116 HB2 ARG 18 HB3 ARG 18 2.952 10.114 -9.288 117 HB3 ARG 18 HB2 ARG 18 3.516 11.772 -9.393 118 HG2 ARG 18 HG3 ARG 18 4.941 11.337 -7.357 119 HG3 ARG 18 HG2 ARG 18 4.432 9.647 -7.428 120 HD2 ARG 18 HD3 ARG 18 6.115 11.183 -9.425 121 HD3 ARG 18 HD2 ARG 18 6.557 9.736 -8.515 122 HE ARG 18 HE ARG 18 4.764 9.868 -10.855 123 HH11 ARG 18 HH11 ARG 18 6.560 7.853 -8.669 124 HH12 ARG 18 HH12 ARG 18 6.334 6.448 -9.649 125 HH21 ARG 18 HH21 ARG 18 4.543 8.070 -12.071 126 HH22 ARG 18 HH22 ARG 18 5.228 6.572 -11.548 127 H VAL 19 H VAL 19 2.222 13.715 -8.842 128 HA VAL 19 HA VAL 19 3.864 15.104 -6.972 129 HB VAL 19 HB VAL 19 3.426 17.141 -8.257 130 HG11 VAL 19 HG11 VAL 19 4.210 16.403 -10.484 131 HG12 VAL 19 HG12 VAL 19 3.773 14.740 -10.091 132 HG13 VAL 19 HG13 VAL 19 5.054 15.548 -9.186 133 HG21 VAL 19 HG21 VAL 19 1.002 16.930 -8.647 134 HG22 VAL 19 HG22 VAL 19 1.278 15.582 -9.751 135 HG23 VAL 19 HG23 VAL 19 1.845 17.199 -10.175 136 H THR 20 H THR 20 0.380 14.698 -7.167 137 HA THR 20 HA THR 20 -0.310 16.657 -5.163 138 HB THR 20 HB THR 20 -1.885 14.229 -6.132 139 HG1 THR 20 HG1 THR 20 -2.192 15.452 -7.813 140 HG21 THR 20 HG21 THR 20 -3.877 15.351 -5.204 141 HG22 THR 20 HG22 THR 20 -2.853 16.609 -4.516 142 HG23 THR 20 HG23 THR 20 -2.722 14.948 -3.931 143 H LEU 21 H LEU 21 0.152 13.101 -5.130 144 HA LEU 21 HA LEU 21 -0.532 12.576 -2.450 145 HB2 LEU 21 HB3 LEU 21 1.440 11.061 -4.207 146 HB3 LEU 21 HB2 LEU 21 0.735 10.449 -2.719 147 HG LEU 21 HG LEU 21 -0.703 10.965 -5.351 148 HD11 LEU 21 HD11 LEU 21 0.609 8.905 -5.323 149 HD12 LEU 21 HD12 LEU 21 -1.115 8.547 -5.347 150 HD13 LEU 21 HD13 LEU 21 -0.201 8.378 -3.844 151 HD21 LEU 21 HD21 LEU 21 -2.759 10.144 -4.285 152 HD22 LEU 21 HD22 LEU 21 -2.192 11.625 -3.520 153 HD23 LEU 21 HD23 LEU 21 -1.936 10.072 -2.723 154 H THR 22 H THR 22 2.573 13.353 -3.948 155 HA THR 22 HA THR 22 4.196 13.050 -1.641 156 HB THR 22 HB THR 22 5.911 14.322 -2.945 157 HG1 THR 22 HG1 THR 22 4.043 14.404 -5.080 158 HG21 THR 22 HG21 THR 22 6.167 12.685 -4.773 159 HG22 THR 22 HG22 THR 22 4.502 12.149 -4.541 160 HG23 THR 22 HG23 THR 22 5.702 11.881 -3.273 161 H SER 23 H SER 23 2.404 15.811 -2.929 162 HA SER 23 HA SER 23 3.749 17.746 -1.197 163 HB2 SER 23 HB3 SER 23 3.221 18.338 -3.542 164 HB3 SER 23 HB2 SER 23 1.500 18.164 -3.205 165 HG SER 23 HG SER 23 1.921 19.851 -1.525 166 H VAL 24 H VAL 24 0.643 16.067 -1.258 167 HA VAL 24 HA VAL 24 -0.498 17.830 0.825 168 HB VAL 24 HB VAL 24 -1.927 15.649 -0.759 169 HG11 VAL 24 HG11 VAL 24 -3.063 17.798 1.083 170 HG12 VAL 24 HG12 VAL 24 -3.014 16.067 1.420 171 HG13 VAL 24 HG13 VAL 24 -4.023 16.681 0.108 172 HG21 VAL 24 HG21 VAL 24 -1.970 18.662 -1.181 173 HG22 VAL 24 HG22 VAL 24 -2.970 17.494 -2.047 174 HG23 VAL 24 HG23 VAL 24 -1.216 17.476 -2.250 175 H ILE 25 H ILE 25 -0.005 14.315 0.188 176 HA ILE 25 HA ILE 25 -0.490 13.552 2.939 177 HB ILE 25 HB ILE 25 0.929 11.933 0.773 178 HG12 ILE 25 HG12 ILE 25 -2.001 11.698 1.526 179 HG13 ILE 25 HG11 ILE 25 -1.441 12.701 0.191 180 HG21 ILE 25 HG21 ILE 25 -0.362 10.993 3.359 181 HG22 ILE 25 HG22 ILE 25 1.372 11.059 3.029 182 HG23 ILE 25 HG23 ILE 25 0.342 9.947 2.123 183 HD11 ILE 25 HD11 ILE 25 -1.046 9.722 0.433 184 HD12 ILE 25 HD12 ILE 25 -0.513 10.739 -0.909 185 HD13 ILE 25 HD13 ILE 25 -2.232 10.550 -0.574 186 H ASP 26 H ASP 26 0.926 14.098 4.508 187 HA ASP 26 HA ASP 26 3.778 14.387 4.033 188 HB2 ASP 26 HB3 ASP 26 2.296 14.380 6.703 189 HB3 ASP 26 HB2 ASP 26 3.923 14.985 6.398 190 HA PRO 27 HA PRO 27 4.592 10.073 4.954 191 HB2 PRO 27 HB3 PRO 27 7.267 10.156 5.501 192 HB3 PRO 27 HB2 PRO 27 6.619 10.366 3.871 193 HG2 PRO 27 HG3 PRO 27 7.605 12.446 5.798 194 HG3 PRO 27 HG2 PRO 27 7.811 12.363 4.038 195 HD2 PRO 27 HD3 PRO 27 5.924 13.944 5.318 196 HD3 PRO 27 HD2 PRO 27 5.781 13.389 3.640 197 H SER 28 H SER 28 5.887 12.488 7.241 198 HA SER 28 HA SER 28 6.034 10.919 9.588 199 HB2 SER 28 HB3 SER 28 6.077 13.166 10.749 200 HB3 SER 28 HB2 SER 28 7.207 13.055 9.399 201 HG SER 28 HG SER 28 5.768 15.000 9.593 202 H ARG 29 H ARG 29 3.300 12.280 7.952 203 HA ARG 29 HA ARG 29 1.405 12.501 10.053 204 HB2 ARG 29 HB3 ARG 29 1.182 13.455 7.712 205 HB3 ARG 29 HB2 ARG 29 0.877 11.830 7.119 206 HG2 ARG 29 HG3 ARG 29 -1.258 12.812 7.296 207 HG3 ARG 29 HG2 ARG 29 -1.135 11.789 8.728 208 HD2 ARG 29 HD3 ARG 29 -2.112 13.919 9.358 209 HD3 ARG 29 HD2 ARG 29 -0.494 13.820 10.062 210 HE ARG 29 HE ARG 29 -0.287 15.113 7.578 211 HH11 ARG 29 HH11 ARG 29 -1.631 15.792 10.705 212 HH12 ARG 29 HH12 ARG 29 -1.492 17.497 10.481 213 HH21 ARG 29 HH21 ARG 29 -0.126 17.287 7.359 214 HH22 ARG 29 HH22 ARG 29 -0.658 18.328 8.633 215 H ILE 30 H ILE 30 2.542 9.728 8.154 216 HA ILE 30 HA ILE 30 0.640 7.905 9.526 217 HB ILE 30 HB ILE 30 0.360 6.603 7.407 218 HG12 ILE 30 HG12 ILE 30 1.754 8.999 6.094 219 HG13 ILE 30 HG11 ILE 30 2.430 7.382 6.237 220 HG21 ILE 30 HG21 ILE 30 -0.566 9.501 7.207 221 HG22 ILE 30 HG22 ILE 30 -1.382 8.211 8.094 222 HG23 ILE 30 HG23 ILE 30 -1.262 8.127 6.338 223 HD11 ILE 30 HD11 ILE 30 1.617 7.782 4.002 224 HD12 ILE 30 HD12 ILE 30 0.012 8.171 4.618 225 HD13 ILE 30 HD13 ILE 30 0.645 6.530 4.774 226 H THR 31 H THR 31 3.893 8.467 9.219 227 HA THR 31 HA THR 31 5.095 6.104 8.415 228 HB THR 31 HB THR 31 6.936 6.805 10.311 229 HG1 THR 31 HG1 THR 31 6.523 8.633 11.220 230 HG21 THR 31 HG21 THR 31 7.979 8.320 8.653 231 HG22 THR 31 HG22 THR 31 6.475 8.346 7.730 232 HG23 THR 31 HG23 THR 31 7.384 6.844 7.895 233 HA PRO 32 HA PRO 32 4.968 4.119 12.899 234 HB2 PRO 32 HB3 PRO 32 2.967 4.945 14.624 235 HB3 PRO 32 HB2 PRO 32 4.618 5.580 14.651 236 HG2 PRO 32 HG3 PRO 32 2.159 6.753 13.367 237 HG3 PRO 32 HG2 PRO 32 3.421 7.562 14.321 238 HD2 PRO 32 HD3 PRO 32 3.394 7.694 11.620 239 HD3 PRO 32 HD2 PRO 32 4.922 7.627 12.527 240 H TYR 33 H TYR 33 1.858 5.186 11.447 241 HA TYR 33 HA TYR 33 0.368 2.825 11.873 242 HB2 TYR 33 HB2 TYR 33 -0.734 4.897 11.104 243 HB3 TYR 33 HB1 TYR 33 0.126 4.807 9.570 244 HD1 TYR 33 HD1 TYR 33 -0.609 3.218 7.809 245 HD2 TYR 33 HD2 TYR 33 -2.588 3.288 11.599 246 HE1 TYR 33 HE1 TYR 33 -2.394 1.798 6.903 247 HE2 TYR 33 HE2 TYR 33 -4.384 1.875 10.679 248 HH TYR 33 HH TYR 33 -4.131 0.390 7.517 249 H LEU 34 H LEU 34 2.422 3.825 9.155 250 HA LEU 34 HA LEU 34 2.033 1.602 7.466 251 HB2 LEU 34 HB3 LEU 34 4.392 3.506 7.654 252 HB3 LEU 34 HB2 LEU 34 4.147 2.366 6.340 253 HG LEU 34 HG LEU 34 2.339 4.733 6.989 254 HD11 LEU 34 HD11 LEU 34 3.219 5.724 4.924 255 HD12 LEU 34 HD12 LEU 34 4.323 4.360 4.721 256 HD13 LEU 34 HD13 LEU 34 4.497 5.445 6.105 257 HD21 LEU 34 HD21 LEU 34 1.001 2.951 6.008 258 HD22 LEU 34 HD22 LEU 34 2.157 2.751 4.689 259 HD23 LEU 34 HD23 LEU 34 1.220 4.245 4.826 260 H ARG 35 H ARG 35 4.655 2.254 9.883 261 HA ARG 35 HA ARG 35 5.966 -0.260 9.400 262 HB2 ARG 35 HB3 ARG 35 7.408 0.199 11.262 263 HB3 ARG 35 HB2 ARG 35 7.173 1.695 10.369 264 HG2 ARG 35 HG3 ARG 35 5.789 2.625 12.066 265 HG3 ARG 35 HG2 ARG 35 5.559 1.062 12.853 266 HD2 ARG 35 HD3 ARG 35 7.919 1.027 13.525 267 HD3 ARG 35 HD2 ARG 35 8.196 2.559 12.688 268 HE ARG 35 HE ARG 35 6.143 2.662 14.722 269 HH11 ARG 35 HH11 ARG 35 9.490 3.153 14.037 270 HH12 ARG 35 HH12 ARG 35 9.756 4.049 15.490 271 HH21 ARG 35 HH21 ARG 35 6.514 3.827 16.560 272 HH22 ARG 35 HH22 ARG 35 8.100 4.409 16.902 273 H GLN 36 H GLN 36 3.452 0.744 11.740 274 HA GLN 36 HA GLN 36 3.460 -1.609 13.340 275 HB2 GLN 36 HB3 GLN 36 2.265 0.534 13.930 276 HB3 GLN 36 HB2 GLN 36 1.049 0.155 12.714 277 HG2 GLN 36 HG3 GLN 36 0.576 -1.983 13.980 278 HG3 GLN 36 HG2 GLN 36 1.657 -1.404 15.246 279 HE21 GLN 36 HE21 GLN 36 -1.185 -2.035 15.391 280 HE22 GLN 36 HE22 GLN 36 -1.974 -0.599 15.936 281 H CYS 37 H CYS 37 1.775 -0.796 10.328 282 HA CYS 37 HA CYS 37 0.459 -3.349 10.002 283 HB2 CYS 37 HB3 CYS 37 -0.429 -1.244 8.996 284 HB3 CYS 37 HB2 CYS 37 0.978 -1.165 7.944 285 HG CYS 37 HG CYS 37 -0.121 -4.066 7.305 286 H LYS 38 H LYS 38 3.677 -2.511 9.832 287 HA LYS 38 HA LYS 38 5.563 -3.569 9.249 288 HB2 LYS 38 HB3 LYS 38 3.775 -5.922 8.515 289 HB3 LYS 38 HB2 LYS 38 5.521 -6.001 8.739 290 HG2 LYS 38 HG3 LYS 38 3.494 -5.304 10.899 291 HG3 LYS 38 HG2 LYS 38 4.284 -6.871 10.690 292 HD2 LYS 38 HD3 LYS 38 6.474 -5.850 11.138 293 HD3 LYS 38 HD2 LYS 38 5.724 -4.256 11.284 294 HE2 LYS 38 HE3 LYS 38 4.471 -5.007 13.257 295 HE3 LYS 38 HE2 LYS 38 5.153 -6.630 13.097 296 HZ1 LYS 38 HZ1 LYS 38 7.338 -5.732 13.501 297 HZ2 LYS 38 HZ2 LYS 38 6.298 -5.307 14.765 298 HZ3 LYS 38 HZ3 LYS 38 6.720 -4.159 13.597 299 H VAL 39 H VAL 39 3.801 -2.160 7.114 300 HA VAL 39 HA VAL 39 4.837 -3.309 4.635 301 HB VAL 39 HB VAL 39 3.528 -1.653 3.437 302 HG11 VAL 39 HG11 VAL 39 1.254 -2.221 4.242 303 HG12 VAL 39 HG12 VAL 39 1.935 -2.783 5.772 304 HG13 VAL 39 HG13 VAL 39 2.325 -3.625 4.270 305 HG21 VAL 39 HG21 VAL 39 2.855 -0.353 6.105 306 HG22 VAL 39 HG22 VAL 39 2.170 0.095 4.540 307 HG23 VAL 39 HG23 VAL 39 3.889 0.337 4.855 308 H LEU 40 H LEU 40 5.423 -0.467 6.679 309 HA LEU 40 HA LEU 40 7.748 0.320 5.031 310 HB2 LEU 40 HB3 LEU 40 6.177 2.118 5.618 311 HB3 LEU 40 HB2 LEU 40 6.348 1.743 7.323 312 HG LEU 40 HG LEU 40 8.702 2.496 7.277 313 HD11 LEU 40 HD11 LEU 40 9.314 1.948 4.986 314 HD12 LEU 40 HD12 LEU 40 9.638 3.648 5.315 315 HD13 LEU 40 HD13 LEU 40 8.223 3.192 4.364 316 HD21 LEU 40 HD21 LEU 40 6.955 4.111 7.860 317 HD22 LEU 40 HD22 LEU 40 6.776 4.558 6.161 318 HD23 LEU 40 HD23 LEU 40 8.284 4.902 7.011 319 H ASN 41 H ASN 41 9.724 -0.370 5.639 320 HA ASN 41 HA ASN 41 10.245 -1.751 8.106 321 HB2 ASN 41 HB3 ASN 41 12.257 -0.694 6.074 322 HB3 ASN 41 HB2 ASN 41 12.548 -1.944 7.281 323 HD21 ASN 41 HD21 ASN 41 12.873 -2.097 4.395 324 HD22 ASN 41 HD22 ASN 41 11.842 -3.372 3.853 325 HA PRO 42 HA PRO 42 11.486 1.765 10.714 326 HB2 PRO 42 HB3 PRO 42 13.483 0.602 12.248 327 HB3 PRO 42 HB2 PRO 42 11.756 0.345 12.529 328 HG2 PRO 42 HG3 PRO 42 13.702 -1.386 10.997 329 HG3 PRO 42 HG2 PRO 42 12.502 -1.870 12.218 330 HD2 PRO 42 HD3 PRO 42 11.980 -2.181 9.608 331 HD3 PRO 42 HD2 PRO 42 10.697 -1.640 10.717 332 H ASP 43 H ASP 43 13.867 -0.006 8.852 333 HA ASP 43 HA ASP 43 16.065 1.780 8.915 334 HB2 ASP 43 HB3 ASP 43 15.208 -0.152 6.715 335 HB3 ASP 43 HB2 ASP 43 16.818 0.539 6.913 336 H ASP 44 H ASP 44 13.585 1.265 6.405 337 HA ASP 44 HA ASP 44 14.197 3.518 4.791 338 HB2 ASP 44 HB3 ASP 44 11.658 1.843 4.991 339 HB3 ASP 44 HB2 ASP 44 12.009 2.975 3.685 340 H GLU 45 H GLU 45 12.042 3.047 7.505 341 HA GLU 45 HA GLU 45 10.590 5.468 7.370 342 HB2 GLU 45 HB3 GLU 45 9.937 3.520 8.794 343 HB3 GLU 45 HB2 GLU 45 11.324 3.828 9.834 344 HG2 GLU 45 HG3 GLU 45 10.364 6.082 10.355 345 HG3 GLU 45 HG2 GLU 45 8.945 5.660 9.402 346 H GLU 46 H GLU 46 13.579 4.568 9.153 347 HA GLU 46 HA GLU 46 14.147 7.039 10.364 348 HB2 GLU 46 HB3 GLU 46 15.308 4.929 10.949 349 HB3 GLU 46 HB2 GLU 46 16.097 4.915 9.374 350 HG2 GLU 46 HG3 GLU 46 17.221 7.079 9.986 351 HG3 GLU 46 HG2 GLU 46 16.517 6.945 11.595 352 H GLN 47 H GLN 47 15.123 5.765 7.180 353 HA GLN 47 HA GLN 47 16.760 7.759 6.180 354 HB2 GLN 47 HB3 GLN 47 16.368 5.689 4.952 355 HB3 GLN 47 HB2 GLN 47 14.671 6.095 4.717 356 HG2 GLN 47 HG3 GLN 47 15.388 8.046 3.307 357 HG3 GLN 47 HG2 GLN 47 17.058 7.506 3.471 358 HE21 GLN 47 HE21 GLN 47 15.436 7.796 1.051 359 HE22 GLN 47 HE22 GLN 47 15.403 6.238 0.307 360 H VAL 48 H VAL 48 13.210 7.622 6.012 361 HA VAL 48 HA VAL 48 12.856 10.176 4.752 362 HB VAL 48 HB VAL 48 10.863 8.359 6.177 363 HG11 VAL 48 HG11 VAL 48 9.102 9.640 4.996 364 HG12 VAL 48 HG12 VAL 48 10.321 10.766 4.400 365 HG13 VAL 48 HG13 VAL 48 9.996 10.651 6.132 366 HG21 VAL 48 HG21 VAL 48 11.444 8.693 3.202 367 HG22 VAL 48 HG22 VAL 48 10.178 7.673 3.890 368 HG23 VAL 48 HG23 VAL 48 11.875 7.296 4.192 369 H LEU 49 H LEU 49 12.604 9.013 8.100 370 HA LEU 49 HA LEU 49 11.699 11.485 9.237 371 HB2 LEU 49 HB3 LEU 49 12.673 8.940 10.568 372 HB3 LEU 49 HB2 LEU 49 12.111 10.345 11.463 373 HG LEU 49 HG LEU 49 10.445 8.610 9.594 374 HD11 LEU 49 HD11 LEU 49 10.876 7.567 11.746 375 HD12 LEU 49 HD12 LEU 49 9.183 8.036 11.619 376 HD13 LEU 49 HD13 LEU 49 10.293 9.003 12.595 377 HD21 LEU 49 HD21 LEU 49 8.510 10.003 10.214 378 HD22 LEU 49 HD22 LEU 49 9.727 10.947 9.360 379 HD23 LEU 49 HD23 LEU 49 9.569 11.096 11.112 380 H SER 50 H SER 50 14.794 10.472 8.272 381 HA SER 50 HA SER 50 16.448 12.007 9.988 382 HB2 SER 50 HB3 SER 50 17.394 10.434 8.364 383 HB3 SER 50 HB2 SER 50 16.754 11.373 7.014 384 HG SER 50 HG SER 50 18.302 12.825 7.272 385 H ASP 51 H ASP 51 14.333 12.994 7.333 386 HA ASP 51 HA ASP 51 14.435 15.757 8.237 387 HB2 ASP 51 HB3 ASP 51 14.755 16.636 5.848 388 HB3 ASP 51 HB2 ASP 51 16.181 15.996 6.646 389 HA PRO 52 HA PRO 52 10.180 14.550 6.772 390 HB2 PRO 52 HB3 PRO 52 8.930 14.012 9.065 391 HB3 PRO 52 HB2 PRO 52 10.112 12.868 8.411 392 HG2 PRO 52 HG3 PRO 52 10.431 14.850 10.656 393 HG3 PRO 52 HG2 PRO 52 11.045 13.189 10.529 394 HD2 PRO 52 HD3 PRO 52 12.496 15.559 9.932 395 HD3 PRO 52 HD2 PRO 52 12.977 13.903 9.508 396 H ASN 53 H ASN 53 11.199 16.922 9.194 397 HA ASN 53 HA ASN 53 8.722 18.454 9.122 398 HB2 ASN 53 HB3 ASN 53 11.365 18.891 10.568 399 HB3 ASN 53 HB2 ASN 53 9.988 19.983 10.707 400 HD21 ASN 53 HD21 ASN 53 9.826 19.595 12.942 401 HD22 ASN 53 HD22 ASN 53 9.211 18.108 13.568 402 H LEU 54 H LEU 54 11.557 18.295 7.296 403 HA LEU 54 HA LEU 54 11.604 21.034 6.343 404 HB2 LEU 54 HB3 LEU 54 13.004 18.485 5.416 405 HB3 LEU 54 HB2 LEU 54 13.224 20.030 4.619 406 HG LEU 54 HG LEU 54 15.124 19.576 6.050 407 HD11 LEU 54 HD11 LEU 54 14.466 21.897 5.824 408 HD12 LEU 54 HD12 LEU 54 15.195 21.590 7.396 409 HD13 LEU 54 HD13 LEU 54 13.443 21.773 7.260 410 HD21 LEU 54 HD21 LEU 54 14.986 19.332 8.482 411 HD22 LEU 54 HD22 LEU 54 14.097 18.049 7.666 412 HD23 LEU 54 HD23 LEU 54 13.221 19.389 8.404 413 H VAL 55 H VAL 55 11.156 21.603 4.076 414 HA VAL 55 HA VAL 55 8.717 20.603 3.002 415 HB VAL 55 HB VAL 55 9.138 22.064 1.051 416 HG11 VAL 55 HG11 VAL 55 8.261 23.105 3.103 417 HG12 VAL 55 HG12 VAL 55 9.295 24.231 2.223 418 HG13 VAL 55 HG13 VAL 55 9.905 23.417 3.665 419 HG21 VAL 55 HG21 VAL 55 11.545 21.638 0.716 420 HG22 VAL 55 HG22 VAL 55 11.922 22.500 2.208 421 HG23 VAL 55 HG23 VAL 55 11.237 23.374 0.836 422 H ILE 56 H ILE 56 11.915 19.450 2.706 423 HA ILE 56 HA ILE 56 11.899 18.133 0.208 424 HB ILE 56 HB ILE 56 13.445 17.269 2.694 425 HG12 ILE 56 HG12 ILE 56 13.867 19.659 2.313 426 HG13 ILE 56 HG11 ILE 56 15.304 18.745 1.874 427 HG21 ILE 56 HG21 ILE 56 15.125 16.367 1.099 428 HG22 ILE 56 HG22 ILE 56 14.075 16.812 -0.248 429 HG23 ILE 56 HG23 ILE 56 13.552 15.589 0.910 430 HD11 ILE 56 HD11 ILE 56 14.892 20.533 0.301 431 HD12 ILE 56 HD12 ILE 56 13.279 19.912 -0.043 432 HD13 ILE 56 HD13 ILE 56 14.706 18.976 -0.503 433 H ARG 57 H ARG 57 10.315 17.392 3.210 434 HA ARG 57 HA ARG 57 9.797 14.718 3.289 435 HB2 ARG 57 HB3 ARG 57 7.586 15.221 4.259 436 HB3 ARG 57 HB2 ARG 57 8.809 16.320 4.889 437 HG2 ARG 57 HG3 ARG 57 8.007 18.139 3.523 438 HG3 ARG 57 HG2 ARG 57 6.940 17.066 2.615 439 HD2 ARG 57 HD3 ARG 57 5.694 18.442 4.240 440 HD3 ARG 57 HD2 ARG 57 5.552 16.718 4.600 441 HE ARG 57 HE ARG 57 7.678 17.767 6.088 442 HH11 ARG 57 HH11 ARG 57 4.231 18.114 6.011 443 HH12 ARG 57 HH12 ARG 57 4.145 18.419 7.709 444 HH21 ARG 57 HH21 ARG 57 7.486 18.101 8.245 445 HH22 ARG 57 HH22 ARG 57 5.941 18.404 8.949 446 H LYS 58 H LYS 58 8.452 17.005 0.980 447 HA LYS 58 HA LYS 58 6.513 15.527 -0.343 448 HB2 LYS 58 HB3 LYS 58 6.968 17.956 -0.662 449 HB3 LYS 58 HB2 LYS 58 8.470 17.560 -1.489 450 HG2 LYS 58 HG3 LYS 58 7.142 16.422 -3.280 451 HG3 LYS 58 HG2 LYS 58 5.660 16.932 -2.466 452 HD2 LYS 58 HD3 LYS 58 7.790 18.760 -3.645 453 HD3 LYS 58 HD2 LYS 58 6.196 18.444 -4.329 454 HE2 LYS 58 HE3 LYS 58 5.132 19.525 -2.392 455 HE3 LYS 58 HE2 LYS 58 6.714 19.793 -1.655 456 HZ1 LYS 58 HZ1 LYS 58 7.302 21.241 -3.455 457 HZ2 LYS 58 HZ2 LYS 58 5.835 21.754 -2.794 458 HZ3 LYS 58 HZ3 LYS 58 5.849 20.917 -4.261 459 H ARG 59 H ARG 59 9.936 15.902 -1.334 460 HA ARG 59 HA ARG 59 9.934 13.906 -3.344 461 HB2 ARG 59 HB3 ARG 59 11.614 15.776 -3.133 462 HB3 ARG 59 HB2 ARG 59 12.323 14.935 -1.759 463 HG2 ARG 59 HG3 ARG 59 12.943 13.045 -3.214 464 HG3 ARG 59 HG2 ARG 59 12.173 13.836 -4.590 465 HD2 ARG 59 HD3 ARG 59 13.814 15.728 -4.349 466 HD3 ARG 59 HD2 ARG 59 14.617 14.812 -3.067 467 HE ARG 59 HE ARG 59 14.379 13.311 -5.498 468 HH11 ARG 59 HH11 ARG 59 16.370 15.658 -3.903 469 HH12 ARG 59 HH12 ARG 59 17.725 15.344 -4.925 470 HH21 ARG 59 HH21 ARG 59 16.136 12.937 -6.775 471 HH22 ARG 59 HH22 ARG 59 17.597 13.816 -6.512 472 H LYS 60 H LYS 60 10.522 13.789 0.136 473 HA LYS 60 HA LYS 60 11.516 11.109 0.260 474 HB2 LYS 60 HB3 LYS 60 10.125 12.677 2.469 475 HB3 LYS 60 HB2 LYS 60 11.159 11.266 2.686 476 HG2 LYS 60 HG3 LYS 60 12.027 13.986 1.657 477 HG3 LYS 60 HG2 LYS 60 12.328 13.350 3.272 478 HD2 LYS 60 HD3 LYS 60 13.384 12.011 0.746 479 HD3 LYS 60 HD2 LYS 60 14.278 13.255 1.618 480 HE2 LYS 60 HE3 LYS 60 13.356 10.625 2.820 481 HE3 LYS 60 HE2 LYS 60 14.988 10.961 2.239 482 HZ1 LYS 60 HZ1 LYS 60 13.606 12.395 4.449 483 HZ2 LYS 60 HZ2 LYS 60 15.155 12.744 3.872 484 HZ3 LYS 60 HZ3 LYS 60 14.849 11.264 4.615 485 H VAL 61 H VAL 61 8.192 12.421 0.203 486 HA VAL 61 HA VAL 61 6.899 9.899 0.702 487 HB VAL 61 HB VAL 61 5.752 12.276 -0.830 488 HG11 VAL 61 HG11 VAL 61 4.301 9.912 0.434 489 HG12 VAL 61 HG12 VAL 61 4.486 10.206 -1.297 490 HG13 VAL 61 HG13 VAL 61 3.520 11.308 -0.314 491 HG21 VAL 61 HG21 VAL 61 5.429 11.573 2.098 492 HG22 VAL 61 HG22 VAL 61 4.596 12.882 1.255 493 HG23 VAL 61 HG23 VAL 61 6.344 12.932 1.449 494 H GLY 62 H GLY 62 7.990 11.609 -2.237 495 HA2 GLY 62 HA3 GLY 62 7.102 9.823 -4.214 496 HA3 GLY 62 HA2 GLY 62 8.562 10.801 -4.321 497 H VAL 63 H VAL 63 10.115 9.736 -2.304 498 HA VAL 63 HA VAL 63 11.114 7.232 -3.189 499 HB VAL 63 HB VAL 63 11.456 8.574 -0.463 500 HG11 VAL 63 HG11 VAL 63 13.147 6.390 -1.746 501 HG12 VAL 63 HG12 VAL 63 12.085 6.199 -0.349 502 HG13 VAL 63 HG13 VAL 63 13.518 7.220 -0.233 503 HG21 VAL 63 HG21 VAL 63 13.576 9.486 -1.372 504 HG22 VAL 63 HG22 VAL 63 12.184 10.052 -2.295 505 HG23 VAL 63 HG23 VAL 63 13.213 8.776 -2.947 506 H LEU 64 H LEU 64 8.977 8.110 -0.463 507 HA LEU 64 HA LEU 64 8.674 5.607 0.749 508 HB2 LEU 64 HB3 LEU 64 8.027 7.766 1.784 509 HB3 LEU 64 HB2 LEU 64 6.693 7.906 0.657 510 HG LEU 64 HG LEU 64 5.643 5.867 1.680 511 HD11 LEU 64 HD11 LEU 64 7.886 6.045 3.710 512 HD12 LEU 64 HD12 LEU 64 7.626 4.746 2.540 513 HD13 LEU 64 HD13 LEU 64 6.458 5.014 3.832 514 HD21 LEU 64 HD21 LEU 64 4.863 6.965 3.734 515 HD22 LEU 64 HD22 LEU 64 4.942 8.110 2.398 516 HD23 LEU 64 HD23 LEU 64 6.195 8.120 3.641 517 H LEU 65 H LEU 65 6.832 6.988 -1.975 518 HA LEU 65 HA LEU 65 4.729 5.090 -2.131 519 HB2 LEU 65 HB3 LEU 65 5.993 6.791 -4.321 520 HB3 LEU 65 HB2 LEU 65 4.512 5.870 -4.531 521 HG LEU 65 HG LEU 65 4.875 8.207 -2.614 522 HD11 LEU 65 HD11 LEU 65 4.877 8.953 -4.941 523 HD12 LEU 65 HD12 LEU 65 3.411 9.472 -4.116 524 HD13 LEU 65 HD13 LEU 65 3.355 8.109 -5.238 525 HD21 LEU 65 HD21 LEU 65 2.375 6.608 -3.247 526 HD22 LEU 65 HD22 LEU 65 2.449 8.064 -2.249 527 HD23 LEU 65 HD23 LEU 65 3.273 6.600 -1.726 528 H ASP 66 H ASP 66 7.934 5.256 -3.636 529 HA ASP 66 HA ASP 66 7.889 2.885 -5.166 530 HB2 ASP 66 HB3 ASP 66 9.611 4.664 -5.434 531 HB3 ASP 66 HB2 ASP 66 10.252 4.293 -3.841 532 H ILE 67 H ILE 67 9.009 3.476 -1.816 533 HA ILE 67 HA ILE 67 9.822 0.872 -1.105 534 HB ILE 67 HB ILE 67 8.624 3.005 0.728 535 HG12 ILE 67 HG12 ILE 67 11.566 2.524 0.069 536 HG13 ILE 67 HG11 ILE 67 10.590 3.807 -0.631 537 HG21 ILE 67 HG21 ILE 67 10.416 0.650 1.447 538 HG22 ILE 67 HG22 ILE 67 8.709 0.821 1.859 539 HG23 ILE 67 HG23 ILE 67 9.898 1.918 2.559 540 HD11 ILE 67 HD11 ILE 67 11.324 3.516 2.281 541 HD12 ILE 67 HD12 ILE 67 10.302 4.789 1.610 542 HD13 ILE 67 HD13 ILE 67 11.993 4.667 1.129 543 H LEU 68 H LEU 68 6.635 2.433 -0.807 544 HA LEU 68 HA LEU 68 5.343 0.205 0.458 545 HB2 LEU 68 HB3 LEU 68 4.155 2.685 -0.820 546 HB3 LEU 68 HB2 LEU 68 3.244 1.514 0.123 547 HG LEU 68 HG LEU 68 5.460 3.329 1.162 548 HD11 LEU 68 HD11 LEU 68 2.483 3.380 1.719 549 HD12 LEU 68 HD12 LEU 68 3.385 4.526 0.724 550 HD13 LEU 68 HD13 LEU 68 3.701 4.430 2.453 551 HD21 LEU 68 HD21 LEU 68 3.825 1.293 2.713 552 HD22 LEU 68 HD22 LEU 68 4.961 2.457 3.402 553 HD23 LEU 68 HD23 LEU 68 5.548 1.185 2.336 554 H GLN 69 H GLN 69 5.873 1.171 -2.874 555 HA GLN 69 HA GLN 69 4.021 -0.728 -4.023 556 HB2 GLN 69 HB3 GLN 69 4.770 1.323 -5.233 557 HB3 GLN 69 HB2 GLN 69 6.402 0.669 -5.331 558 HG2 GLN 69 HG3 GLN 69 5.608 -1.171 -6.751 559 HG3 GLN 69 HG2 GLN 69 3.943 -0.613 -6.575 560 HE21 GLN 69 HE21 GLN 69 5.522 -0.976 -9.009 561 HE22 GLN 69 HE22 GLN 69 5.528 0.552 -9.809 562 H ARG 70 H ARG 70 7.444 -0.801 -3.085 563 HA ARG 70 HA ARG 70 8.235 -3.301 -4.147 564 HB2 ARG 70 HB3 ARG 70 9.088 -1.909 -1.574 565 HB3 ARG 70 HB2 ARG 70 9.891 -3.342 -2.209 566 HG2 ARG 70 HG3 ARG 70 10.577 -2.111 -4.209 567 HG3 ARG 70 HG2 ARG 70 9.701 -0.683 -3.657 568 HD2 ARG 70 HD3 ARG 70 12.097 -0.452 -3.206 569 HD3 ARG 70 HD2 ARG 70 11.190 -0.523 -1.692 570 HE ARG 70 HE ARG 70 12.209 -3.077 -2.576 571 HH11 ARG 70 HH11 ARG 70 13.025 -0.248 -0.725 572 HH12 ARG 70 HH12 ARG 70 14.250 -1.080 0.161 573 HH21 ARG 70 HH21 ARG 70 13.777 -4.082 -1.433 574 HH22 ARG 70 HH22 ARG 70 14.675 -3.213 -0.240 575 H THR 71 H THR 71 6.661 -2.499 -1.074 576 HA THR 71 HA THR 71 5.975 -5.310 -0.493 577 HB THR 71 HB THR 71 6.825 -3.892 1.371 578 HG1 THR 71 HG1 THR 71 5.595 -5.062 2.608 579 HG21 THR 71 HG21 THR 71 4.279 -2.278 0.984 580 HG22 THR 71 HG22 THR 71 5.924 -1.704 0.701 581 HG23 THR 71 HG23 THR 71 5.402 -2.116 2.333 582 H GLY 72 H GLY 72 4.832 -3.749 -2.759 583 HA2 GLY 72 HA3 GLY 72 2.599 -2.343 -2.609 584 HA3 GLY 72 HA2 GLY 72 2.860 -3.509 -3.881 585 H HIS 73 H HIS 73 2.471 -5.890 -2.174 586 HA HIS 73 HA HIS 73 -0.271 -6.254 -2.679 587 HB2 HIS 73 HB2 HIS 73 1.596 -8.036 -2.473 588 HB3 HIS 73 HB1 HIS 73 1.329 -7.974 -0.731 589 HD1 HIS 73 HD1 HIS 73 -0.713 -8.553 -3.907 590 HD2 HIS 73 HD2 HIS 73 -0.574 -9.790 0.059 591 HE1 HIS 73 HE1 HIS 73 -2.474 -10.317 -3.696 592 HE2 HIS 73 HE2 HIS 73 -2.381 -11.050 -1.295 593 H LYS 74 H LYS 74 1.311 -6.114 0.529 594 HA LYS 74 HA LYS 74 -1.187 -5.520 1.910 595 HB2 LYS 74 HB3 LYS 74 0.654 -7.000 2.851 596 HB3 LYS 74 HB2 LYS 74 1.650 -5.558 3.022 597 HG2 LYS 74 HG3 LYS 74 -0.032 -4.600 4.579 598 HG3 LYS 74 HG2 LYS 74 -0.999 -6.071 4.428 599 HD2 LYS 74 HD3 LYS 74 1.818 -5.873 5.573 600 HD3 LYS 74 HD2 LYS 74 0.336 -6.101 6.502 601 HE2 LYS 74 HE3 LYS 74 -0.008 -8.295 5.410 602 HE3 LYS 74 HE2 LYS 74 1.472 -8.066 4.475 603 HZ1 LYS 74 HZ1 LYS 74 2.688 -7.966 6.596 604 HZ2 LYS 74 HZ2 LYS 74 1.922 -9.450 6.347 605 HZ3 LYS 74 HZ3 LYS 74 1.258 -8.326 7.423 606 H GLY 75 H GLY 75 1.595 -3.806 0.675 607 HA2 GLY 75 HA3 GLY 75 1.622 -1.452 2.231 608 HA3 GLY 75 HA2 GLY 75 2.336 -1.645 0.640 609 H TYR 76 H TYR 76 0.129 -2.093 -0.921 610 HA TYR 76 HA TYR 76 -0.943 0.450 -1.456 611 HB2 TYR 76 HB2 TYR 76 -0.723 -1.401 -3.131 612 HB3 TYR 76 HB1 TYR 76 -2.025 -2.271 -2.332 613 HD1 TYR 76 HD1 TYR 76 -4.280 -1.892 -3.045 614 HD2 TYR 76 HD2 TYR 76 -1.260 0.943 -4.088 615 HE1 TYR 76 HE1 TYR 76 -5.888 -0.703 -4.481 616 HE2 TYR 76 HE2 TYR 76 -2.858 2.126 -5.509 617 HH TYR 76 HH TYR 76 -6.177 1.614 -5.409 618 H VAL 77 H VAL 77 -2.410 -2.390 0.112 619 HA VAL 77 HA VAL 77 -4.984 -1.372 0.625 620 HB VAL 77 HB VAL 77 -3.430 -3.476 2.203 621 HG11 VAL 77 HG11 VAL 77 -6.434 -2.975 2.116 622 HG12 VAL 77 HG12 VAL 77 -5.372 -2.680 3.496 623 HG13 VAL 77 HG13 VAL 77 -5.645 -4.329 2.931 624 HG21 VAL 77 HG21 VAL 77 -3.588 -4.048 -0.191 625 HG22 VAL 77 HG22 VAL 77 -5.340 -3.834 -0.142 626 HG23 VAL 77 HG23 VAL 77 -4.586 -5.140 0.775 627 H ALA 78 H ALA 78 -2.164 -1.574 2.826 628 HA ALA 78 HA ALA 78 -3.235 -0.230 5.053 629 HB1 ALA 78 HB1 ALA 78 -1.182 -1.592 5.141 630 HB2 ALA 78 HB2 ALA 78 -0.906 0.020 5.804 631 HB3 ALA 78 HB3 ALA 78 -0.328 -0.382 4.184 632 H PHE 79 H PHE 79 -1.560 1.028 2.178 633 HA PHE 79 HA PHE 79 -1.315 3.728 3.019 634 HB2 PHE 79 HB2 PHE 79 -0.132 2.606 1.033 635 HB3 PHE 79 HB1 PHE 79 -1.628 2.811 0.128 636 HD1 PHE 79 HD1 PHE 79 -1.403 4.585 -1.436 637 HD2 PHE 79 HD2 PHE 79 0.362 4.995 2.439 638 HE1 PHE 79 HE1 PHE 79 -0.651 6.865 -2.007 639 HE2 PHE 79 HE2 PHE 79 1.102 7.253 1.873 640 HZ PHE 79 HZ PHE 79 0.600 8.204 -0.353 641 H LEU 80 H LEU 80 -3.851 2.078 1.072 642 HA LEU 80 HA LEU 80 -5.585 4.255 0.674 643 HB2 LEU 80 HB3 LEU 80 -6.286 1.313 0.984 644 HB3 LEU 80 HB2 LEU 80 -7.400 2.540 0.401 645 HG LEU 80 HG LEU 80 -4.897 1.530 -1.002 646 HD11 LEU 80 HD11 LEU 80 -7.832 1.347 -1.740 647 HD12 LEU 80 HD12 LEU 80 -6.801 0.031 -1.169 648 HD13 LEU 80 HD13 LEU 80 -6.482 0.780 -2.729 649 HD21 LEU 80 HD21 LEU 80 -5.043 3.941 -1.386 650 HD22 LEU 80 HD22 LEU 80 -6.729 3.788 -1.887 651 HD23 LEU 80 HD23 LEU 80 -5.445 3.059 -2.858 652 H GLU 81 H GLU 81 -5.501 1.894 3.352 653 HA GLU 81 HA GLU 81 -7.766 2.805 4.790 654 HB2 GLU 81 HB3 GLU 81 -5.289 1.357 5.797 655 HB3 GLU 81 HB2 GLU 81 -6.789 1.529 6.706 656 HG2 GLU 81 HG3 GLU 81 -7.978 0.225 4.987 657 HG3 GLU 81 HG2 GLU 81 -6.477 0.057 4.078 658 H SER 82 H SER 82 -4.285 3.622 5.147 659 HA SER 82 HA SER 82 -4.545 5.384 7.359 660 HB2 SER 82 HB3 SER 82 -2.297 6.206 6.805 661 HB3 SER 82 HB2 SER 82 -2.347 4.457 6.624 662 HG SER 82 HG SER 82 -2.317 4.668 4.450 663 H LEU 83 H LEU 83 -4.621 6.000 3.833 664 HA LEU 83 HA LEU 83 -4.958 8.826 4.047 665 HB2 LEU 83 HB3 LEU 83 -5.714 6.993 1.745 666 HB3 LEU 83 HB2 LEU 83 -5.659 8.750 1.668 667 HG LEU 83 HG LEU 83 -3.331 6.832 1.961 668 HD11 LEU 83 HD11 LEU 83 -2.500 7.946 -0.072 669 HD12 LEU 83 HD12 LEU 83 -3.974 8.917 -0.132 670 HD13 LEU 83 HD13 LEU 83 -4.063 7.161 -0.312 671 HD21 LEU 83 HD21 LEU 83 -1.829 8.768 2.173 672 HD22 LEU 83 HD22 LEU 83 -2.907 8.614 3.554 673 HD23 LEU 83 HD23 LEU 83 -3.223 9.841 2.322 674 H GLU 84 H GLU 84 -7.284 6.145 4.031 675 HA GLU 84 HA GLU 84 -9.635 7.719 3.735 676 HB2 GLU 84 HB3 GLU 84 -9.507 5.222 3.446 677 HB3 GLU 84 HB2 GLU 84 -9.371 5.058 5.194 678 HG2 GLU 84 HG3 GLU 84 -11.605 6.062 5.470 679 HG3 GLU 84 HG2 GLU 84 -11.733 6.277 3.726 680 H LEU 85 H LEU 85 -7.549 7.142 6.475 681 HA LEU 85 HA LEU 85 -9.401 8.183 8.483 682 HB2 LEU 85 HB3 LEU 85 -6.494 7.303 8.685 683 HB3 LEU 85 HB2 LEU 85 -7.478 7.792 10.057 684 HG LEU 85 HG LEU 85 -8.012 5.359 8.297 685 HD11 LEU 85 HD11 LEU 85 -6.886 5.476 11.117 686 HD12 LEU 85 HD12 LEU 85 -6.003 5.037 9.653 687 HD13 LEU 85 HD13 LEU 85 -7.311 4.008 10.227 688 HD21 LEU 85 HD21 LEU 85 -9.428 6.278 10.828 689 HD22 LEU 85 HD22 LEU 85 -9.714 4.755 9.981 690 HD23 LEU 85 HD23 LEU 85 -10.094 6.281 9.191 691 H TYR 86 H TYR 86 -6.250 9.170 7.084 692 HA TYR 86 HA TYR 86 -6.187 11.617 8.679 693 HB2 TYR 86 HB2 TYR 86 -4.131 10.276 6.883 694 HB3 TYR 86 HB1 TYR 86 -3.845 11.825 7.672 695 HD1 TYR 86 HD1 TYR 86 -3.528 11.939 10.129 696 HD2 TYR 86 HD2 TYR 86 -4.158 8.175 8.216 697 HE1 TYR 86 HE1 TYR 86 -2.761 10.777 12.153 698 HE2 TYR 86 HE2 TYR 86 -3.389 7.014 10.236 699 HH TYR 86 HH TYR 86 -1.922 7.518 12.205 700 H TYR 87 H TYR 87 -6.486 10.751 5.231 701 HA TYR 87 HA TYR 87 -7.214 13.573 4.612 702 HB2 TYR 87 HB2 TYR 87 -5.381 11.821 2.891 703 HB3 TYR 87 HB1 TYR 87 -6.003 13.394 2.417 704 HD1 TYR 87 HD1 TYR 87 -3.352 11.664 4.157 705 HD2 TYR 87 HD2 TYR 87 -5.299 15.453 3.772 706 HE1 TYR 87 HE1 TYR 87 -1.406 12.773 5.174 707 HE2 TYR 87 HE2 TYR 87 -3.346 16.553 4.781 708 HH TYR 87 HH TYR 87 -0.401 15.257 5.042 709 HA PRO 88 HA PRO 88 -10.155 10.015 3.250 710 HB2 PRO 88 HB3 PRO 88 -12.541 11.216 4.072 711 HB3 PRO 88 HB2 PRO 88 -11.574 10.110 5.057 712 HG2 PRO 88 HG3 PRO 88 -11.619 13.121 5.070 713 HG3 PRO 88 HG2 PRO 88 -11.571 11.994 6.444 714 HD2 PRO 88 HD3 PRO 88 -9.348 13.270 5.611 715 HD3 PRO 88 HD2 PRO 88 -9.272 11.596 6.198 716 H GLN 89 H GLN 89 -10.587 13.519 2.812 717 HA GLN 89 HA GLN 89 -12.286 13.420 0.525 718 HB2 GLN 89 HB3 GLN 89 -10.421 15.623 1.502 719 HB3 GLN 89 HB2 GLN 89 -11.532 15.815 0.151 720 HG2 GLN 89 HG3 GLN 89 -12.565 16.824 2.037 721 HG3 GLN 89 HG2 GLN 89 -13.426 15.318 1.733 722 HE21 GLN 89 HE21 GLN 89 -14.212 15.128 3.834 723 HE22 GLN 89 HE22 GLN 89 -13.201 14.806 5.195 724 H LEU 90 H LEU 90 -8.725 13.752 0.854 725 HA LEU 90 HA LEU 90 -8.122 13.887 -1.920 726 HB2 LEU 90 HB3 LEU 90 -6.507 14.536 -0.121 727 HB3 LEU 90 HB2 LEU 90 -6.344 12.841 0.314 728 HG LEU 90 HG LEU 90 -5.409 12.358 -1.960 729 HD11 LEU 90 HD11 LEU 90 -4.724 14.174 -3.435 730 HD12 LEU 90 HD12 LEU 90 -5.490 15.358 -2.377 731 HD13 LEU 90 HD13 LEU 90 -6.473 14.158 -3.223 732 HD21 LEU 90 HD21 LEU 90 -3.204 13.346 -1.594 733 HD22 LEU 90 HD22 LEU 90 -3.891 12.763 -0.080 734 HD23 LEU 90 HD23 LEU 90 -3.889 14.491 -0.438 735 H TYR 91 H TYR 91 -8.291 11.163 0.342 736 HA TYR 91 HA TYR 91 -7.558 9.026 -1.292 737 HB2 TYR 91 HB2 TYR 91 -7.813 8.710 1.084 738 HB3 TYR 91 HB1 TYR 91 -9.494 9.225 1.045 739 HD1 TYR 91 HD1 TYR 91 -11.151 7.559 1.086 740 HD2 TYR 91 HD2 TYR 91 -7.274 6.549 -0.390 741 HE1 TYR 91 HE1 TYR 91 -11.860 5.222 0.830 742 HE2 TYR 91 HE2 TYR 91 -7.986 4.216 -0.648 743 HH TYR 91 HH TYR 91 -11.242 3.241 -0.474 744 H LYS 92 H LYS 92 -10.814 10.377 -0.746 745 HA LYS 92 HA LYS 92 -12.172 8.793 -2.705 746 HB2 LYS 92 HB3 LYS 92 -12.943 11.390 -1.325 747 HB3 LYS 92 HB2 LYS 92 -14.049 10.433 -2.311 748 HG2 LYS 92 HG3 LYS 92 -13.993 8.602 -0.752 749 HG3 LYS 92 HG2 LYS 92 -12.646 9.314 0.136 750 HD2 LYS 92 HD3 LYS 92 -14.726 9.602 1.394 751 HD3 LYS 92 HD2 LYS 92 -14.114 11.174 0.873 752 HE2 LYS 92 HE3 LYS 92 -16.543 11.046 0.580 753 HE3 LYS 92 HE2 LYS 92 -15.749 11.181 -0.987 754 HZ1 LYS 92 HZ1 LYS 92 -15.999 8.784 -1.260 755 HZ2 LYS 92 HZ2 LYS 92 -17.495 9.533 -1.033 756 HZ3 LYS 92 HZ3 LYS 92 -16.782 8.680 0.234 757 H LYS 93 H LYS 93 -10.332 11.762 -2.917 758 HA LYS 93 HA LYS 93 -11.303 12.578 -5.517 759 HB2 LYS 93 HB3 LYS 93 -10.403 14.169 -3.841 760 HB3 LYS 93 HB2 LYS 93 -8.814 13.427 -3.986 761 HG2 LYS 93 HG3 LYS 93 -8.605 14.211 -6.284 762 HG3 LYS 93 HG2 LYS 93 -10.266 14.816 -6.261 763 HD2 LYS 93 HD3 LYS 93 -9.627 16.425 -4.465 764 HD3 LYS 93 HD2 LYS 93 -7.962 15.844 -4.558 765 HE2 LYS 93 HE3 LYS 93 -7.809 16.635 -6.879 766 HE3 LYS 93 HE2 LYS 93 -9.489 17.174 -6.821 767 HZ1 LYS 93 HZ1 LYS 93 -7.810 18.942 -6.455 768 HZ2 LYS 93 HZ2 LYS 93 -7.383 18.188 -5.003 769 HZ3 LYS 93 HZ3 LYS 93 -8.943 18.799 -5.210 770 H VAL 94 H VAL 94 -8.573 10.583 -4.394 771 HA VAL 94 HA VAL 94 -7.171 10.699 -6.933 772 HB VAL 94 HB VAL 94 -5.525 9.095 -5.928 773 HG11 VAL 94 HG11 VAL 94 -5.166 11.513 -5.740 774 HG12 VAL 94 HG12 VAL 94 -4.593 10.707 -4.281 775 HG13 VAL 94 HG13 VAL 94 -6.132 11.571 -4.262 776 HG21 VAL 94 HG21 VAL 94 -7.210 9.312 -3.401 777 HG22 VAL 94 HG22 VAL 94 -5.616 8.560 -3.516 778 HG23 VAL 94 HG23 VAL 94 -6.986 7.857 -4.377 779 H THR 95 H THR 95 -8.905 8.056 -5.203 780 HA THR 95 HA THR 95 -8.764 6.382 -7.636 781 HB THR 95 HB THR 95 -8.206 5.092 -5.715 782 HG1 THR 95 HG1 THR 95 -10.110 4.368 -7.246 783 HG21 THR 95 HG21 THR 95 -9.120 6.492 -3.920 784 HG22 THR 95 HG22 THR 95 -9.646 4.814 -3.734 785 HG23 THR 95 HG23 THR 95 -10.765 6.021 -4.371 786 H GLY 96 H GLY 96 -11.157 7.959 -5.548 787 HA2 GLY 96 HA3 GLY 96 -13.330 8.573 -5.846 788 HA3 GLY 96 HA2 GLY 96 -12.930 8.684 -7.547 789 H LYS 97 H LYS 97 -13.887 7.308 -8.918 790 HA LYS 97 HA LYS 97 -15.614 5.128 -7.906 791 HB2 LYS 97 HB3 LYS 97 -15.682 6.610 -10.570 792 HB3 LYS 97 HB2 LYS 97 -16.848 5.402 -10.039 793 HG2 LYS 97 HG3 LYS 97 -17.616 6.898 -8.245 794 HG3 LYS 97 HG2 LYS 97 -16.400 8.096 -8.694 795 HD2 LYS 97 HD3 LYS 97 -18.706 7.164 -10.458 796 HD3 LYS 97 HD2 LYS 97 -18.658 8.681 -9.560 797 HE2 LYS 97 HE3 LYS 97 -16.706 9.406 -10.914 798 HE3 LYS 97 HE2 LYS 97 -16.776 7.891 -11.815 799 HZ1 LYS 97 HZ1 LYS 97 -18.960 8.502 -12.620 800 HZ2 LYS 97 HZ2 LYS 97 -17.838 9.711 -12.997 801 HZ3 LYS 97 HZ3 LYS 97 -18.927 9.936 -11.724 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -9.749 -0.167 3.636 2 H2 MET 1 HT2 MET 1 -10.869 0.411 4.763 3 H3 MET 1 HT3 MET 1 -11.391 -0.082 3.235 4 HA MET 1 HA MET 1 -10.204 -1.818 5.319 5 HB2 MET 1 HB2 MET 1 -12.493 -1.192 5.904 6 HB3 MET 1 HB1 MET 1 -13.061 -1.582 4.287 7 HG2 MET 1 HG2 MET 1 -12.544 -3.971 4.699 8 HG3 MET 1 HG1 MET 1 -12.027 -3.559 6.335 9 HE1 MET 1 HE1 MET 1 -15.502 -5.471 6.727 10 HE2 MET 1 HE2 MET 1 -13.778 -5.536 7.097 11 HE3 MET 1 HE3 MET 1 -14.336 -5.746 5.434 12 H SER 2 H SER 2 -11.836 -1.769 2.118 13 HA SER 2 HA SER 2 -11.642 -4.501 1.512 14 HB2 SER 2 HB3 SER 2 -13.165 -2.976 0.324 15 HB3 SER 2 HB2 SER 2 -11.798 -2.132 -0.404 16 HG SER 2 HG SER 2 -12.794 -3.727 -1.784 17 H ASP 3 H ASP 3 -10.058 -5.816 0.726 18 HA ASP 3 HA ASP 3 -7.409 -4.894 0.065 19 HB2 ASP 3 HB3 ASP 3 -8.711 -7.631 -0.323 20 HB3 ASP 3 HB2 ASP 3 -6.998 -7.296 -0.553 21 H TYR 4 H TYR 4 -7.590 -3.465 -1.658 22 HA TYR 4 HA TYR 4 -8.934 -4.041 -4.127 23 HB2 TYR 4 HB2 TYR 4 -6.834 -1.941 -3.428 24 HB3 TYR 4 HB1 TYR 4 -7.637 -2.035 -4.991 25 HD1 TYR 4 HD1 TYR 4 -8.117 -1.214 -1.401 26 HD2 TYR 4 HD2 TYR 4 -9.961 -1.314 -5.256 27 HE1 TYR 4 HE1 TYR 4 -9.941 0.212 -0.577 28 HE2 TYR 4 HE2 TYR 4 -11.777 0.108 -4.423 29 HH TYR 4 HH TYR 4 -11.599 1.760 -1.445 30 H GLU 5 H GLU 5 -8.290 -5.715 -5.327 31 HA GLU 5 HA GLU 5 -5.595 -6.690 -5.497 32 HB2 GLU 5 HB3 GLU 5 -8.071 -7.392 -7.131 33 HB3 GLU 5 HB2 GLU 5 -6.542 -8.268 -7.206 34 HG2 GLU 5 HG3 GLU 5 -8.382 -8.026 -4.806 35 HG3 GLU 5 HG2 GLU 5 -8.123 -9.463 -5.792 36 H ASN 6 H ASN 6 -4.789 -7.234 -7.864 37 HA ASN 6 HA ASN 6 -3.431 -6.419 -9.480 38 HB2 ASN 6 HB3 ASN 6 -5.616 -4.336 -9.951 39 HB3 ASN 6 HB2 ASN 6 -4.375 -4.818 -11.108 40 HD21 ASN 6 HD21 ASN 6 -7.397 -4.981 -11.076 41 HD22 ASN 6 HD22 ASN 6 -7.745 -6.616 -11.500 42 H ASP 7 H ASP 7 -3.117 -5.545 -6.809 43 HA ASP 7 HA ASP 7 -3.090 -2.955 -6.052 44 HB2 ASP 7 HB3 ASP 7 -1.224 -3.687 -4.430 45 HB3 ASP 7 HB2 ASP 7 -2.704 -4.641 -4.441 46 H ASP 8 H ASP 8 -0.189 -4.525 -7.432 47 HA ASP 8 HA ASP 8 1.539 -2.312 -7.385 48 HB2 ASP 8 HB3 ASP 8 2.291 -4.655 -7.584 49 HB3 ASP 8 HB2 ASP 8 1.550 -4.776 -9.174 50 H GLU 9 H GLU 9 -0.621 -3.514 -9.939 51 HA GLU 9 HA GLU 9 0.041 -1.576 -11.940 52 HB2 GLU 9 HB3 GLU 9 -2.458 -3.296 -11.615 53 HB3 GLU 9 HB2 GLU 9 -2.074 -2.343 -13.047 54 HG2 GLU 9 HG3 GLU 9 -0.033 -3.706 -13.394 55 HG3 GLU 9 HG2 GLU 9 -0.455 -4.677 -11.982 56 H CYS 10 H CYS 10 -2.273 -1.664 -9.300 57 HA CYS 10 HA CYS 10 -3.839 0.604 -10.134 58 HB2 CYS 10 HB3 CYS 10 -3.724 -0.830 -7.464 59 HB3 CYS 10 HB2 CYS 10 -4.950 0.342 -7.942 60 HG CYS 10 HG CYS 10 -5.251 -2.757 -8.127 61 H TRP 11 H TRP 11 -0.868 0.248 -8.337 62 HA TRP 11 HA TRP 11 -0.713 2.795 -7.123 63 HB2 TRP 11 HB2 TRP 11 1.378 0.889 -8.184 64 HB3 TRP 11 HB1 TRP 11 1.866 2.492 -7.660 65 HD1 TRP 11 HD1 TRP 11 1.071 -0.933 -6.281 66 HE1 TRP 11 HE1 TRP 11 1.321 -0.895 -3.725 67 HE3 TRP 11 HE3 TRP 11 1.430 4.130 -5.554 68 HZ2 TRP 11 HZ2 TRP 11 1.622 1.004 -1.668 69 HZ3 TRP 11 HZ3 TRP 11 1.691 4.972 -3.254 70 HH2 TRP 11 HH2 TRP 11 1.785 3.440 -1.350 71 H SER 12 H SER 12 -0.640 1.938 -10.515 72 HA SER 12 HA SER 12 0.503 4.341 -11.551 73 HB2 SER 12 HB3 SER 12 -1.484 2.437 -12.855 74 HB3 SER 12 HB2 SER 12 -0.600 3.707 -13.704 75 HG SER 12 HG SER 12 1.118 2.485 -13.725 76 H VAL 13 H VAL 13 -2.790 3.514 -10.508 77 HA VAL 13 HA VAL 13 -4.145 5.850 -11.394 78 HB VAL 13 HB VAL 13 -4.718 4.245 -8.852 79 HG11 VAL 13 HG11 VAL 13 -7.037 5.108 -9.048 80 HG12 VAL 13 HG12 VAL 13 -6.555 6.093 -10.430 81 HG13 VAL 13 HG13 VAL 13 -5.870 6.417 -8.835 82 HG21 VAL 13 HG21 VAL 13 -5.849 3.825 -11.649 83 HG22 VAL 13 HG22 VAL 13 -6.367 2.970 -10.193 84 HG23 VAL 13 HG23 VAL 13 -4.726 2.754 -10.805 85 H LEU 14 H LEU 14 -2.608 5.080 -8.246 86 HA LEU 14 HA LEU 14 -2.820 7.669 -7.108 87 HB2 LEU 14 HB3 LEU 14 -0.858 5.445 -6.443 88 HB3 LEU 14 HB2 LEU 14 -1.120 6.878 -5.462 89 HG LEU 14 HG LEU 14 -3.055 4.585 -5.938 90 HD11 LEU 14 HD11 LEU 14 -1.349 4.167 -4.247 91 HD12 LEU 14 HD12 LEU 14 -2.941 4.301 -3.507 92 HD13 LEU 14 HD13 LEU 14 -1.798 5.644 -3.389 93 HD21 LEU 14 HD21 LEU 14 -4.695 5.778 -4.527 94 HD22 LEU 14 HD22 LEU 14 -4.379 6.631 -6.034 95 HD23 LEU 14 HD23 LEU 14 -3.659 7.211 -4.529 96 H GLU 15 H GLU 15 -0.403 6.265 -9.258 97 HA GLU 15 HA GLU 15 1.614 8.257 -9.002 98 HB2 GLU 15 HB3 GLU 15 2.065 6.080 -10.066 99 HB3 GLU 15 HB2 GLU 15 0.957 6.466 -11.378 100 HG2 GLU 15 HG3 GLU 15 2.441 8.319 -12.082 101 HG3 GLU 15 HG2 GLU 15 3.541 7.940 -10.760 102 H GLY 16 H GLY 16 -1.293 8.022 -11.001 103 HA2 GLY 16 HA3 GLY 16 -1.064 10.402 -12.499 104 HA3 GLY 16 HA2 GLY 16 -2.571 9.627 -12.029 105 H PHE 17 H PHE 17 -1.568 9.958 -9.100 106 HA PHE 17 HA PHE 17 -2.104 12.863 -8.722 107 HB2 PHE 17 HB2 PHE 17 -2.770 10.563 -6.814 108 HB3 PHE 17 HB1 PHE 17 -3.131 12.264 -6.549 109 HD1 PHE 17 HD1 PHE 17 -4.179 9.195 -8.215 110 HD2 PHE 17 HD2 PHE 17 -4.915 13.392 -7.876 111 HE1 PHE 17 HE1 PHE 17 -6.371 8.898 -9.288 112 HE2 PHE 17 HE2 PHE 17 -7.109 13.084 -8.945 113 HZ PHE 17 HZ PHE 17 -7.834 10.842 -9.654 114 H ARG 18 H ARG 18 0.522 11.140 -8.980 115 HA ARG 18 HA ARG 18 1.781 10.853 -6.483 116 HB2 ARG 18 HB3 ARG 18 2.659 9.836 -8.549 117 HB3 ARG 18 HB2 ARG 18 3.054 11.426 -9.185 118 HG2 ARG 18 HG3 ARG 18 4.713 11.728 -7.349 119 HG3 ARG 18 HG2 ARG 18 4.341 10.101 -6.770 120 HD2 ARG 18 HD3 ARG 18 6.400 10.149 -8.136 121 HD3 ARG 18 HD2 ARG 18 5.153 9.140 -8.877 122 HE ARG 18 HE ARG 18 5.491 11.934 -9.755 123 HH11 ARG 18 HH11 ARG 18 5.768 8.563 -10.561 124 HH12 ARG 18 HH12 ARG 18 5.863 8.885 -12.257 125 HH21 ARG 18 HH21 ARG 18 5.607 12.292 -11.905 126 HH22 ARG 18 HH22 ARG 18 5.762 10.967 -13.004 127 H VAL 19 H VAL 19 1.679 13.665 -8.648 128 HA VAL 19 HA VAL 19 3.343 15.438 -7.257 129 HB VAL 19 HB VAL 19 2.517 15.916 -9.514 130 HG11 VAL 19 HG11 VAL 19 -0.235 16.326 -8.290 131 HG12 VAL 19 HG12 VAL 19 0.241 15.008 -9.362 132 HG13 VAL 19 HG13 VAL 19 0.205 16.666 -9.967 133 HG21 VAL 19 HG21 VAL 19 1.983 18.320 -9.282 134 HG22 VAL 19 HG22 VAL 19 3.273 17.844 -8.177 135 HG23 VAL 19 HG23 VAL 19 1.635 18.082 -7.568 136 H THR 20 H THR 20 -0.076 14.646 -6.705 137 HA THR 20 HA THR 20 -0.581 16.576 -4.642 138 HB THR 20 HB THR 20 -2.099 13.987 -5.221 139 HG1 THR 20 HG1 THR 20 -2.868 16.531 -6.176 140 HG21 THR 20 HG21 THR 20 -3.018 16.541 -3.848 141 HG22 THR 20 HG22 THR 20 -2.731 14.989 -3.052 142 HG23 THR 20 HG23 THR 20 -4.039 15.159 -4.227 143 H LEU 21 H LEU 21 0.302 13.107 -4.661 144 HA LEU 21 HA LEU 21 0.056 12.604 -1.871 145 HB2 LEU 21 HB3 LEU 21 1.862 11.145 -3.844 146 HB3 LEU 21 HB2 LEU 21 1.304 10.532 -2.294 147 HG LEU 21 HG LEU 21 -0.374 10.978 -4.795 148 HD11 LEU 21 HD11 LEU 21 -0.685 8.553 -4.768 149 HD12 LEU 21 HD12 LEU 21 0.356 8.419 -3.349 150 HD13 LEU 21 HD13 LEU 21 1.020 8.983 -4.883 151 HD21 LEU 21 HD21 LEU 21 -1.352 10.026 -2.081 152 HD22 LEU 21 HD22 LEU 21 -2.300 10.068 -3.572 153 HD23 LEU 21 HD23 LEU 21 -1.736 11.570 -2.845 154 H THR 22 H THR 22 2.831 13.501 -3.909 155 HA THR 22 HA THR 22 4.790 13.539 -1.823 156 HB THR 22 HB THR 22 6.276 14.694 -3.450 157 HG1 THR 22 HG1 THR 22 4.758 14.553 -5.662 158 HG21 THR 22 HG21 THR 22 6.368 12.908 -5.162 159 HG22 THR 22 HG22 THR 22 4.776 12.338 -4.659 160 HG23 THR 22 HG23 THR 22 6.146 12.238 -3.548 161 H SER 23 H SER 23 2.414 15.835 -2.876 162 HA SER 23 HA SER 23 3.729 18.176 -1.729 163 HB2 SER 23 HB3 SER 23 2.349 18.461 -3.737 164 HB3 SER 23 HB2 SER 23 0.939 17.818 -2.900 165 HG SER 23 HG SER 23 2.336 20.158 -2.079 166 H VAL 24 H VAL 24 0.536 16.666 -1.095 167 HA VAL 24 HA VAL 24 0.111 18.132 1.331 168 HB VAL 24 HB VAL 24 -1.473 15.744 0.275 169 HG11 VAL 24 HG11 VAL 24 -3.366 16.662 1.594 170 HG12 VAL 24 HG12 VAL 24 -2.313 17.933 2.218 171 HG13 VAL 24 HG13 VAL 24 -1.996 16.248 2.630 172 HG21 VAL 24 HG21 VAL 24 -1.906 18.702 -0.297 173 HG22 VAL 24 HG22 VAL 24 -2.975 17.394 -0.808 174 HG23 VAL 24 HG23 VAL 24 -1.334 17.494 -1.452 175 H ILE 25 H ILE 25 0.900 14.724 0.625 176 HA ILE 25 HA ILE 25 0.559 13.935 3.420 177 HB ILE 25 HB ILE 25 1.287 12.191 1.031 178 HG12 ILE 25 HG12 ILE 25 -1.488 12.551 2.233 179 HG13 ILE 25 HG11 ILE 25 -0.930 13.438 0.818 180 HG21 ILE 25 HG21 ILE 25 0.497 10.296 2.422 181 HG22 ILE 25 HG22 ILE 25 0.211 11.397 3.770 182 HG23 ILE 25 HG23 ILE 25 1.854 11.128 3.186 183 HD11 ILE 25 HD11 ILE 25 -1.165 10.442 1.024 184 HD12 ILE 25 HD12 ILE 25 -0.647 11.355 -0.397 185 HD13 ILE 25 HD13 ILE 25 -2.290 11.529 0.215 186 H ASP 26 H ASP 26 2.346 14.509 4.658 187 HA ASP 26 HA ASP 26 5.007 13.545 4.013 188 HB2 ASP 26 HB3 ASP 26 3.826 14.248 6.750 189 HB3 ASP 26 HB2 ASP 26 5.532 14.022 6.382 190 HA PRO 27 HA PRO 27 3.709 9.224 5.094 191 HB2 PRO 27 HB3 PRO 27 6.536 8.494 4.958 192 HB3 PRO 27 HB2 PRO 27 5.202 7.961 3.938 193 HG2 PRO 27 HG3 PRO 27 7.265 9.831 3.283 194 HG3 PRO 27 HG2 PRO 27 5.887 9.352 2.279 195 HD2 PRO 27 HD3 PRO 27 6.334 11.874 3.586 196 HD3 PRO 27 HD2 PRO 27 4.941 11.394 2.602 197 H SER 28 H SER 28 5.998 11.356 6.561 198 HA SER 28 HA SER 28 6.739 9.990 8.903 199 HB2 SER 28 HB3 SER 28 7.940 11.969 8.051 200 HB3 SER 28 HB2 SER 28 6.543 12.988 8.387 201 HG SER 28 HG SER 28 7.240 11.622 10.603 202 H ARG 29 H ARG 29 3.667 11.666 8.183 203 HA ARG 29 HA ARG 29 2.873 11.696 10.990 204 HB2 ARG 29 HB3 ARG 29 0.790 12.651 10.369 205 HB3 ARG 29 HB2 ARG 29 2.026 13.441 9.411 206 HG2 ARG 29 HG3 ARG 29 1.000 11.228 7.880 207 HG3 ARG 29 HG2 ARG 29 -0.374 12.121 8.526 208 HD2 ARG 29 HD3 ARG 29 1.906 13.359 6.946 209 HD3 ARG 29 HD2 ARG 29 0.368 12.862 6.284 210 HE ARG 29 HE ARG 29 -0.702 14.606 7.519 211 HH11 ARG 29 HH11 ARG 29 2.729 14.830 7.819 212 HH12 ARG 29 HH12 ARG 29 2.710 16.555 7.843 213 HH21 ARG 29 HH21 ARG 29 -0.686 16.809 7.573 214 HH22 ARG 29 HH22 ARG 29 0.813 17.656 7.719 215 H ILE 30 H ILE 30 2.476 9.580 8.240 216 HA ILE 30 HA ILE 30 0.610 7.809 9.701 217 HB ILE 30 HB ILE 30 0.311 6.613 7.541 218 HG12 ILE 30 HG12 ILE 30 2.092 8.800 6.349 219 HG13 ILE 30 HG11 ILE 30 2.536 7.107 6.516 220 HG21 ILE 30 HG21 ILE 30 -0.212 9.609 7.348 221 HG22 ILE 30 HG22 ILE 30 -1.244 8.411 8.137 222 HG23 ILE 30 HG23 ILE 30 -1.010 8.350 6.393 223 HD11 ILE 30 HD11 ILE 30 0.737 6.507 4.946 224 HD12 ILE 30 HD12 ILE 30 1.926 7.604 4.244 225 HD13 ILE 30 HD13 ILE 30 0.356 8.222 4.756 226 H THR 31 H THR 31 3.895 8.095 9.501 227 HA THR 31 HA THR 31 4.952 5.594 8.979 228 HB THR 31 HB THR 31 6.648 6.245 10.972 229 HG1 THR 31 HG1 THR 31 6.191 8.038 11.897 230 HG21 THR 31 HG21 THR 31 7.235 6.275 8.554 231 HG22 THR 31 HG22 THR 31 7.947 7.633 9.432 232 HG23 THR 31 HG23 THR 31 6.524 7.886 8.417 233 HA PRO 32 HA PRO 32 3.935 4.085 13.622 234 HB2 PRO 32 HB3 PRO 32 1.473 5.147 14.487 235 HB3 PRO 32 HB2 PRO 32 3.067 5.631 15.080 236 HG2 PRO 32 HG3 PRO 32 1.360 6.927 12.965 237 HG3 PRO 32 HG2 PRO 32 2.337 7.679 14.241 238 HD2 PRO 32 HD3 PRO 32 3.224 7.633 11.743 239 HD3 PRO 32 HD2 PRO 32 4.343 7.359 13.099 240 H TYR 33 H TYR 33 1.247 5.047 11.422 241 HA TYR 33 HA TYR 33 -0.238 2.649 11.739 242 HB2 TYR 33 HB2 TYR 33 -1.243 4.780 10.889 243 HB3 TYR 33 HB1 TYR 33 -0.347 4.576 9.385 244 HD1 TYR 33 HD1 TYR 33 -1.244 3.190 7.629 245 HD2 TYR 33 HD2 TYR 33 -2.934 2.953 11.547 246 HE1 TYR 33 HE1 TYR 33 -3.017 1.704 6.783 247 HE2 TYR 33 HE2 TYR 33 -4.718 1.494 10.690 248 HH TYR 33 HH TYR 33 -5.819 0.970 8.544 249 H LEU 34 H LEU 34 2.247 3.646 9.413 250 HA LEU 34 HA LEU 34 2.038 1.432 7.633 251 HB2 LEU 34 HB3 LEU 34 4.352 3.350 8.095 252 HB3 LEU 34 HB2 LEU 34 4.265 2.204 6.767 253 HG LEU 34 HG LEU 34 2.388 4.569 7.191 254 HD11 LEU 34 HD11 LEU 34 4.600 4.198 5.151 255 HD12 LEU 34 HD12 LEU 34 4.614 5.293 6.535 256 HD13 LEU 34 HD13 LEU 34 3.469 5.555 5.223 257 HD21 LEU 34 HD21 LEU 34 1.506 4.068 4.924 258 HD22 LEU 34 HD22 LEU 34 1.164 2.781 6.083 259 HD23 LEU 34 HD23 LEU 34 2.455 2.574 4.896 260 H ARG 35 H ARG 35 4.073 2.008 10.546 261 HA ARG 35 HA ARG 35 5.495 -0.487 10.294 262 HB2 ARG 35 HB3 ARG 35 6.424 -0.107 12.491 263 HB3 ARG 35 HB2 ARG 35 6.485 1.387 11.570 264 HG2 ARG 35 HG3 ARG 35 4.869 2.436 12.896 265 HG3 ARG 35 HG2 ARG 35 4.194 0.912 13.468 266 HD2 ARG 35 HD3 ARG 35 5.406 2.047 15.262 267 HD3 ARG 35 HD2 ARG 35 6.183 0.519 14.844 268 HE ARG 35 HE ARG 35 7.421 2.586 13.409 269 HH11 ARG 35 HH11 ARG 35 7.214 1.472 16.689 270 HH12 ARG 35 HH12 ARG 35 8.747 2.153 17.096 271 HH21 ARG 35 HH21 ARG 35 9.358 3.427 13.997 272 HH22 ARG 35 HH22 ARG 35 9.946 3.208 15.607 273 H GLN 36 H GLN 36 2.549 0.496 12.095 274 HA GLN 36 HA GLN 36 2.208 -1.962 13.500 275 HB2 GLN 36 HB3 GLN 36 0.176 0.182 12.778 276 HB3 GLN 36 HB2 GLN 36 -0.199 -1.201 13.801 277 HG2 GLN 36 HG3 GLN 36 1.827 0.975 14.394 278 HG3 GLN 36 HG2 GLN 36 0.252 0.775 15.159 279 HE21 GLN 36 HE21 GLN 36 2.977 0.809 16.303 280 HE22 GLN 36 HE22 GLN 36 3.115 -0.655 17.201 281 H CYS 37 H CYS 37 1.324 -1.019 10.233 282 HA CYS 37 HA CYS 37 -0.171 -3.465 9.708 283 HB2 CYS 37 HB3 CYS 37 -0.729 -1.378 8.499 284 HB3 CYS 37 HB2 CYS 37 0.876 -1.366 7.768 285 HG CYS 37 HG CYS 37 -1.679 -2.473 6.369 286 H LYS 38 H LYS 38 3.124 -2.696 9.970 287 HA LYS 38 HA LYS 38 5.098 -3.483 9.268 288 HB2 LYS 38 HB3 LYS 38 3.485 -6.047 9.246 289 HB3 LYS 38 HB2 LYS 38 5.203 -6.053 8.863 290 HG2 LYS 38 HG3 LYS 38 3.970 -5.102 11.479 291 HG3 LYS 38 HG2 LYS 38 4.813 -6.636 11.220 292 HD2 LYS 38 HD3 LYS 38 6.898 -5.418 10.706 293 HD3 LYS 38 HD2 LYS 38 6.063 -3.875 10.903 294 HE2 LYS 38 HE3 LYS 38 7.355 -4.337 12.893 295 HE3 LYS 38 HE2 LYS 38 5.640 -4.453 13.290 296 HZ1 LYS 38 HZ1 LYS 38 7.423 -6.761 12.723 297 HZ2 LYS 38 HZ2 LYS 38 5.800 -6.844 13.193 298 HZ3 LYS 38 HZ3 LYS 38 6.961 -6.242 14.265 299 H VAL 39 H VAL 39 4.351 -1.997 7.383 300 HA VAL 39 HA VAL 39 4.965 -3.400 4.838 301 HB VAL 39 HB VAL 39 3.630 -1.733 3.592 302 HG11 VAL 39 HG11 VAL 39 2.003 -3.082 5.774 303 HG12 VAL 39 HG12 VAL 39 2.543 -3.832 4.272 304 HG13 VAL 39 HG13 VAL 39 1.380 -2.508 4.223 305 HG21 VAL 39 HG21 VAL 39 2.795 -0.636 6.308 306 HG22 VAL 39 HG22 VAL 39 2.119 -0.140 4.753 307 HG23 VAL 39 HG23 VAL 39 3.812 0.189 5.127 308 H LEU 40 H LEU 40 6.243 -1.307 7.091 309 HA LEU 40 HA LEU 40 8.031 -0.042 5.105 310 HB2 LEU 40 HB3 LEU 40 6.175 1.568 5.688 311 HB3 LEU 40 HB2 LEU 40 6.709 1.516 7.362 312 HG LEU 40 HG LEU 40 8.947 2.423 6.634 313 HD11 LEU 40 HD11 LEU 40 8.946 1.654 4.327 314 HD12 LEU 40 HD12 LEU 40 9.170 3.398 4.393 315 HD13 LEU 40 HD13 LEU 40 7.601 2.732 3.936 316 HD21 LEU 40 HD21 LEU 40 7.260 3.949 7.549 317 HD22 LEU 40 HD22 LEU 40 6.575 4.189 5.940 318 HD23 LEU 40 HD23 LEU 40 8.211 4.744 6.296 319 H ASN 41 H ASN 41 10.070 -0.531 5.650 320 HA ASN 41 HA ASN 41 10.874 -1.602 8.160 321 HB2 ASN 41 HB3 ASN 41 12.715 -0.451 6.025 322 HB3 ASN 41 HB2 ASN 41 13.123 -1.653 7.240 323 HD21 ASN 41 HD21 ASN 41 11.642 -1.067 4.173 324 HD22 ASN 41 HD22 ASN 41 11.379 -2.719 3.743 325 HA PRO 42 HA PRO 42 11.614 2.071 10.617 326 HB2 PRO 42 HB3 PRO 42 13.848 1.339 12.115 327 HB3 PRO 42 HB2 PRO 42 12.196 0.802 12.451 328 HG2 PRO 42 HG3 PRO 42 14.374 -0.625 10.923 329 HG3 PRO 42 HG2 PRO 42 13.278 -1.266 12.168 330 HD2 PRO 42 HD3 PRO 42 12.795 -1.724 9.575 331 HD3 PRO 42 HD2 PRO 42 11.451 -1.372 10.685 332 H ASP 43 H ASP 43 14.262 0.919 8.590 333 HA ASP 43 HA ASP 43 15.911 3.252 8.713 334 HB2 ASP 43 HB3 ASP 43 16.714 1.037 7.877 335 HB3 ASP 43 HB2 ASP 43 15.652 1.183 6.481 336 H ASP 44 H ASP 44 13.520 2.159 6.268 337 HA ASP 44 HA ASP 44 13.504 4.530 4.683 338 HB2 ASP 44 HB3 ASP 44 11.274 2.470 4.951 339 HB3 ASP 44 HB2 ASP 44 11.538 3.564 3.595 340 H GLU 45 H GLU 45 11.718 3.526 7.491 341 HA GLU 45 HA GLU 45 9.738 5.536 7.612 342 HB2 GLU 45 HB3 GLU 45 9.544 3.499 8.903 343 HB3 GLU 45 HB2 GLU 45 11.074 3.799 9.718 344 HG2 GLU 45 HG3 GLU 45 10.094 5.683 10.920 345 HG3 GLU 45 HG2 GLU 45 8.576 5.467 10.058 346 H GLU 46 H GLU 46 12.878 5.266 9.352 347 HA GLU 46 HA GLU 46 12.870 7.846 10.511 348 HB2 GLU 46 HB3 GLU 46 14.278 5.909 11.265 349 HB3 GLU 46 HB2 GLU 46 15.293 6.129 9.843 350 HG2 GLU 46 HG3 GLU 46 15.876 8.410 10.641 351 HG3 GLU 46 HG2 GLU 46 14.896 8.144 12.081 352 H GLN 47 H GLN 47 13.885 6.716 7.376 353 HA GLN 47 HA GLN 47 15.399 8.805 6.343 354 HB2 GLN 47 HB3 GLN 47 15.065 6.681 5.197 355 HB3 GLN 47 HB2 GLN 47 13.346 6.991 5.029 356 HG2 GLN 47 HG3 GLN 47 13.788 8.782 3.432 357 HG3 GLN 47 HG2 GLN 47 15.527 8.573 3.645 358 HE21 GLN 47 HE21 GLN 47 13.920 8.317 1.200 359 HE22 GLN 47 HE22 GLN 47 14.212 6.724 0.609 360 H VAL 48 H VAL 48 11.848 8.539 6.583 361 HA VAL 48 HA VAL 48 11.453 11.243 5.519 362 HB VAL 48 HB VAL 48 9.311 9.344 6.555 363 HG11 VAL 48 HG11 VAL 48 7.774 10.705 5.184 364 HG12 VAL 48 HG12 VAL 48 9.112 11.743 4.692 365 HG13 VAL 48 HG13 VAL 48 8.602 11.702 6.380 366 HG21 VAL 48 HG21 VAL 48 8.925 8.673 4.197 367 HG22 VAL 48 HG22 VAL 48 10.541 8.215 4.740 368 HG23 VAL 48 HG23 VAL 48 10.329 9.622 3.695 369 H LEU 49 H LEU 49 11.380 9.567 8.667 370 HA LEU 49 HA LEU 49 10.206 11.635 10.236 371 HB2 LEU 49 HB3 LEU 49 12.230 9.519 11.056 372 HB3 LEU 49 HB2 LEU 49 11.376 10.553 12.190 373 HG LEU 49 HG LEU 49 10.083 8.480 10.369 374 HD11 LEU 49 HD11 LEU 49 9.644 7.201 12.394 375 HD12 LEU 49 HD12 LEU 49 10.487 8.407 13.373 376 HD13 LEU 49 HD13 LEU 49 11.376 7.453 12.183 377 HD21 LEU 49 HD21 LEU 49 8.005 8.928 11.587 378 HD22 LEU 49 HD22 LEU 49 8.571 10.373 10.757 379 HD23 LEU 49 HD23 LEU 49 8.796 10.216 12.501 380 H SER 50 H SER 50 13.428 11.246 8.957 381 HA SER 50 HA SER 50 14.773 13.318 10.399 382 HB2 SER 50 HB3 SER 50 16.046 11.611 9.177 383 HB3 SER 50 HB2 SER 50 15.328 12.116 7.648 384 HG SER 50 HG SER 50 16.571 13.879 7.615 385 H ASP 51 H ASP 51 12.508 13.338 7.780 386 HA ASP 51 HA ASP 51 12.948 16.212 7.170 387 HB2 ASP 51 HB3 ASP 51 12.083 14.001 5.240 388 HB3 ASP 51 HB2 ASP 51 12.262 15.706 4.833 389 HA PRO 52 HA PRO 52 8.358 16.020 8.072 390 HB2 PRO 52 HB3 PRO 52 8.235 17.624 10.286 391 HB3 PRO 52 HB2 PRO 52 8.421 15.870 10.393 392 HG2 PRO 52 HG3 PRO 52 10.511 18.016 10.660 393 HG3 PRO 52 HG2 PRO 52 10.309 16.526 11.606 394 HD2 PRO 52 HD3 PRO 52 12.124 16.793 9.542 395 HD3 PRO 52 HD2 PRO 52 11.433 15.238 10.041 396 H ASN 53 H ASN 53 10.583 18.785 8.744 397 HA ASN 53 HA ASN 53 8.742 20.646 7.377 398 HB2 ASN 53 HB3 ASN 53 11.074 21.221 9.250 399 HB3 ASN 53 HB2 ASN 53 9.983 22.432 8.581 400 HD21 ASN 53 HD21 ASN 53 10.503 21.825 11.379 401 HD22 ASN 53 HD22 ASN 53 8.989 21.375 12.071 402 H LEU 54 H LEU 54 11.297 18.847 6.399 403 HA LEU 54 HA LEU 54 12.756 20.917 4.925 404 HB2 LEU 54 HB3 LEU 54 13.137 17.911 5.138 405 HB3 LEU 54 HB2 LEU 54 14.097 18.915 4.059 406 HG LEU 54 HG LEU 54 14.020 19.144 7.094 407 HD11 LEU 54 HD11 LEU 54 15.246 17.164 6.354 408 HD12 LEU 54 HD12 LEU 54 16.344 18.366 7.026 409 HD13 LEU 54 HD13 LEU 54 16.236 18.152 5.276 410 HD21 LEU 54 HD21 LEU 54 14.334 21.356 6.109 411 HD22 LEU 54 HD22 LEU 54 15.639 20.754 5.085 412 HD23 LEU 54 HD23 LEU 54 15.840 20.802 6.839 413 H VAL 55 H VAL 55 12.846 21.134 2.727 414 HA VAL 55 HA VAL 55 10.615 20.501 1.089 415 HB VAL 55 HB VAL 55 12.103 22.484 0.727 416 HG11 VAL 55 HG11 VAL 55 14.287 22.260 -0.415 417 HG12 VAL 55 HG12 VAL 55 14.165 20.504 -0.312 418 HG13 VAL 55 HG13 VAL 55 14.297 21.462 1.162 419 HG21 VAL 55 HG21 VAL 55 11.893 20.686 -1.724 420 HG22 VAL 55 HG22 VAL 55 12.138 22.434 -1.753 421 HG23 VAL 55 HG23 VAL 55 10.634 21.765 -1.117 422 H ILE 56 H ILE 56 13.563 18.813 1.791 423 HA ILE 56 HA ILE 56 13.831 17.112 -0.454 424 HB ILE 56 HB ILE 56 14.630 16.417 2.406 425 HG12 ILE 56 HG12 ILE 56 16.307 18.013 0.412 426 HG13 ILE 56 HG11 ILE 56 15.451 18.719 1.779 427 HG21 ILE 56 HG21 ILE 56 14.860 14.542 0.833 428 HG22 ILE 56 HG22 ILE 56 16.445 15.098 1.364 429 HG23 ILE 56 HG23 ILE 56 15.851 15.535 -0.240 430 HD11 ILE 56 HD11 ILE 56 17.708 16.717 1.942 431 HD12 ILE 56 HD12 ILE 56 16.848 17.411 3.321 432 HD13 ILE 56 HD13 ILE 56 17.809 18.447 2.266 433 H ARG 57 H ARG 57 11.703 16.998 2.335 434 HA ARG 57 HA ARG 57 10.867 14.353 2.411 435 HB2 ARG 57 HB3 ARG 57 10.213 16.125 4.053 436 HB3 ARG 57 HB2 ARG 57 9.104 16.798 2.874 437 HG2 ARG 57 HG3 ARG 57 8.806 13.926 3.786 438 HG3 ARG 57 HG2 ARG 57 8.210 15.242 4.794 439 HD2 ARG 57 HD3 ARG 57 7.342 14.726 1.929 440 HD3 ARG 57 HD2 ARG 57 6.453 14.220 3.367 441 HE ARG 57 HE ARG 57 6.804 16.917 3.663 442 HH11 ARG 57 HH11 ARG 57 5.233 14.918 1.308 443 HH12 ARG 57 HH12 ARG 57 4.084 16.137 0.912 444 HH21 ARG 57 HH21 ARG 57 5.294 18.409 3.168 445 HH22 ARG 57 HH22 ARG 57 4.106 18.081 1.964 446 H LYS 58 H LYS 58 9.766 16.953 0.229 447 HA LYS 58 HA LYS 58 7.685 15.823 -1.188 448 HB2 LYS 58 HB3 LYS 58 10.009 17.421 -2.345 449 HB3 LYS 58 HB2 LYS 58 8.464 17.180 -3.148 450 HG2 LYS 58 HG3 LYS 58 8.756 18.592 -0.478 451 HG3 LYS 58 HG2 LYS 58 8.819 19.427 -2.025 452 HD2 LYS 58 HD3 LYS 58 6.437 17.800 -1.060 453 HD3 LYS 58 HD2 LYS 58 6.594 19.544 -0.866 454 HE2 LYS 58 HE3 LYS 58 5.213 19.209 -2.782 455 HE3 LYS 58 HE2 LYS 58 6.786 19.704 -3.400 456 HZ1 LYS 58 HZ1 LYS 58 7.264 17.401 -3.925 457 HZ2 LYS 58 HZ2 LYS 58 5.828 17.881 -4.660 458 HZ3 LYS 58 HZ3 LYS 58 5.781 16.913 -3.281 459 H ARG 59 H ARG 59 11.157 15.343 -1.789 460 HA ARG 59 HA ARG 59 10.884 13.382 -3.866 461 HB2 ARG 59 HB3 ARG 59 12.891 14.861 -3.564 462 HB3 ARG 59 HB2 ARG 59 13.283 13.982 -2.090 463 HG2 ARG 59 HG3 ARG 59 13.611 11.913 -3.404 464 HG3 ARG 59 HG2 ARG 59 13.198 12.788 -4.884 465 HD2 ARG 59 HD3 ARG 59 15.154 14.306 -4.466 466 HD3 ARG 59 HD2 ARG 59 15.580 13.304 -3.073 467 HE ARG 59 HE ARG 59 15.380 11.624 -5.292 468 HH11 ARG 59 HH11 ARG 59 17.450 14.212 -4.267 469 HH12 ARG 59 HH12 ARG 59 18.801 13.593 -5.145 470 HH21 ARG 59 HH21 ARG 59 17.119 10.873 -6.391 471 HH22 ARG 59 HH22 ARG 59 18.621 11.736 -6.334 472 H LYS 60 H LYS 60 11.460 13.244 -0.337 473 HA LYS 60 HA LYS 60 11.968 10.492 -0.054 474 HB2 LYS 60 HB3 LYS 60 10.678 12.386 1.955 475 HB3 LYS 60 HB2 LYS 60 11.250 10.768 2.350 476 HG2 LYS 60 HG3 LYS 60 12.947 13.119 1.442 477 HG3 LYS 60 HG2 LYS 60 12.871 12.438 3.070 478 HD2 LYS 60 HD3 LYS 60 13.807 10.292 2.171 479 HD3 LYS 60 HD2 LYS 60 13.946 11.041 0.580 480 HE2 LYS 60 HE3 LYS 60 16.113 11.066 1.670 481 HE3 LYS 60 HE2 LYS 60 15.516 12.721 1.560 482 HZ1 LYS 60 HZ1 LYS 60 14.844 12.606 3.861 483 HZ2 LYS 60 HZ2 LYS 60 16.483 12.219 3.723 484 HZ3 LYS 60 HZ3 LYS 60 15.345 10.996 3.966 485 H VAL 61 H VAL 61 8.850 12.169 -0.372 486 HA VAL 61 HA VAL 61 7.205 9.908 0.253 487 HB VAL 61 HB VAL 61 6.330 12.099 -1.668 488 HG11 VAL 61 HG11 VAL 61 4.805 10.182 -1.483 489 HG12 VAL 61 HG12 VAL 61 4.063 11.618 -0.776 490 HG13 VAL 61 HG13 VAL 61 4.742 10.370 0.272 491 HG21 VAL 61 HG21 VAL 61 5.441 13.361 0.296 492 HG22 VAL 61 HG22 VAL 61 7.199 13.313 0.213 493 HG23 VAL 61 HG23 VAL 61 6.350 12.276 1.350 494 H GLY 62 H GLY 62 8.388 11.320 -2.822 495 HA2 GLY 62 HA3 GLY 62 7.330 9.498 -4.662 496 HA3 GLY 62 HA2 GLY 62 8.823 10.398 -4.884 497 H VAL 63 H VAL 63 10.292 9.238 -2.724 498 HA VAL 63 HA VAL 63 11.161 6.700 -3.723 499 HB VAL 63 HB VAL 63 11.754 7.932 -0.988 500 HG11 VAL 63 HG11 VAL 63 12.318 5.536 -1.098 501 HG12 VAL 63 HG12 VAL 63 13.783 6.510 -1.008 502 HG13 VAL 63 HG13 VAL 63 13.284 5.808 -2.549 503 HG21 VAL 63 HG21 VAL 63 13.336 8.250 -3.575 504 HG22 VAL 63 HG22 VAL 63 13.825 8.851 -1.989 505 HG23 VAL 63 HG23 VAL 63 12.390 9.507 -2.773 506 H LEU 64 H LEU 64 9.202 7.720 -0.914 507 HA LEU 64 HA LEU 64 8.996 5.206 0.362 508 HB2 LEU 64 HB3 LEU 64 8.432 7.765 1.109 509 HB3 LEU 64 HB2 LEU 64 6.805 7.221 0.796 510 HG LEU 64 HG LEU 64 7.461 7.096 3.194 511 HD11 LEU 64 HD11 LEU 64 6.623 4.858 3.689 512 HD12 LEU 64 HD12 LEU 64 6.848 4.392 2.000 513 HD13 LEU 64 HD13 LEU 64 5.682 5.646 2.423 514 HD21 LEU 64 HD21 LEU 64 9.431 4.968 2.327 515 HD22 LEU 64 HD22 LEU 64 9.060 5.439 3.988 516 HD23 LEU 64 HD23 LEU 64 9.833 6.588 2.901 517 H LEU 65 H LEU 65 6.956 6.695 -2.115 518 HA LEU 65 HA LEU 65 4.734 4.926 -2.028 519 HB2 LEU 65 HB3 LEU 65 5.871 6.534 -4.351 520 HB3 LEU 65 HB2 LEU 65 4.304 5.740 -4.373 521 HG LEU 65 HG LEU 65 5.082 8.023 -2.509 522 HD11 LEU 65 HD11 LEU 65 3.560 9.423 -3.837 523 HD12 LEU 65 HD12 LEU 65 3.300 8.089 -4.964 524 HD13 LEU 65 HD13 LEU 65 4.900 8.817 -4.809 525 HD21 LEU 65 HD21 LEU 65 2.399 6.660 -2.888 526 HD22 LEU 65 HD22 LEU 65 2.710 8.077 -1.881 527 HD23 LEU 65 HD23 LEU 65 3.449 6.531 -1.473 528 H ASP 66 H ASP 66 7.742 4.931 -3.915 529 HA ASP 66 HA ASP 66 7.440 2.493 -5.309 530 HB2 ASP 66 HB3 ASP 66 9.110 4.034 -6.072 531 HB3 ASP 66 HB2 ASP 66 9.867 4.125 -4.487 532 H ILE 67 H ILE 67 8.885 3.197 -2.124 533 HA ILE 67 HA ILE 67 9.797 0.608 -1.449 534 HB ILE 67 HB ILE 67 8.864 2.899 0.335 535 HG12 ILE 67 HG12 ILE 67 11.703 2.073 -0.437 536 HG13 ILE 67 HG11 ILE 67 10.809 3.382 -1.196 537 HG21 ILE 67 HG21 ILE 67 8.802 0.833 1.653 538 HG22 ILE 67 HG22 ILE 67 10.137 1.854 2.184 539 HG23 ILE 67 HG23 ILE 67 10.456 0.447 1.169 540 HD11 ILE 67 HD11 ILE 67 11.631 3.275 1.700 541 HD12 ILE 67 HD12 ILE 67 10.774 4.601 0.910 542 HD13 ILE 67 HD13 ILE 67 12.420 4.198 0.424 543 H LEU 68 H LEU 68 6.625 2.170 -0.872 544 HA LEU 68 HA LEU 68 5.426 -0.116 0.400 545 HB2 LEU 68 HB3 LEU 68 4.153 2.370 -0.780 546 HB3 LEU 68 HB2 LEU 68 3.281 1.151 0.138 547 HG LEU 68 HG LEU 68 5.469 2.984 1.194 548 HD11 LEU 68 HD11 LEU 68 2.504 2.904 1.817 549 HD12 LEU 68 HD12 LEU 68 3.340 4.123 0.853 550 HD13 LEU 68 HD13 LEU 68 3.697 3.969 2.571 551 HD21 LEU 68 HD21 LEU 68 5.658 0.801 2.285 552 HD22 LEU 68 HD22 LEU 68 3.940 0.827 2.692 553 HD23 LEU 68 HD23 LEU 68 5.040 2.005 3.414 554 H GLN 69 H GLN 69 5.768 0.956 -2.918 555 HA GLN 69 HA GLN 69 3.836 -0.795 -4.104 556 HB2 GLN 69 HB3 GLN 69 4.733 1.223 -5.256 557 HB3 GLN 69 HB2 GLN 69 6.323 0.469 -5.335 558 HG2 GLN 69 HG3 GLN 69 5.372 -1.327 -6.770 559 HG3 GLN 69 HG2 GLN 69 3.810 -0.513 -6.726 560 HE21 GLN 69 HE21 GLN 69 3.586 1.463 -7.844 561 HE22 GLN 69 HE22 GLN 69 4.682 1.926 -9.085 562 H ARG 70 H ARG 70 7.259 -1.155 -3.245 563 HA ARG 70 HA ARG 70 7.733 -3.655 -4.546 564 HB2 ARG 70 HB3 ARG 70 9.166 -2.357 -2.198 565 HB3 ARG 70 HB2 ARG 70 9.744 -3.798 -3.039 566 HG2 ARG 70 HG3 ARG 70 9.959 -2.526 -5.129 567 HG3 ARG 70 HG2 ARG 70 9.319 -1.086 -4.342 568 HD2 ARG 70 HD3 ARG 70 11.283 -1.116 -2.792 569 HD3 ARG 70 HD2 ARG 70 11.936 -2.486 -3.705 570 HE ARG 70 HE ARG 70 11.348 0.063 -5.075 571 HH11 ARG 70 HH11 ARG 70 13.693 -2.310 -4.146 572 HH12 ARG 70 HH12 ARG 70 14.951 -1.562 -5.066 573 HH21 ARG 70 HH21 ARG 70 12.970 1.002 -6.220 574 HH22 ARG 70 HH22 ARG 70 14.548 0.287 -6.226 575 H THR 71 H THR 71 6.447 -2.820 -1.371 576 HA THR 71 HA THR 71 5.843 -5.668 -0.808 577 HB THR 71 HB THR 71 6.800 -4.340 1.074 578 HG1 THR 71 HG1 THR 71 4.577 -5.822 1.165 579 HG21 THR 71 HG21 THR 71 5.471 -2.603 2.203 580 HG22 THR 71 HG22 THR 71 4.256 -2.696 0.928 581 HG23 THR 71 HG23 THR 71 5.881 -2.116 0.556 582 H GLY 72 H GLY 72 4.561 -3.983 -2.958 583 HA2 GLY 72 HA3 GLY 72 2.341 -2.537 -2.449 584 HA3 GLY 72 HA2 GLY 72 2.557 -3.470 -3.909 585 H HIS 73 H HIS 73 2.271 -6.086 -2.532 586 HA HIS 73 HA HIS 73 -0.516 -6.434 -2.747 587 HB2 HIS 73 HB2 HIS 73 1.517 -8.207 -1.305 588 HB3 HIS 73 HB1 HIS 73 -0.117 -8.700 -1.753 589 HD1 HIS 73 HD1 HIS 73 3.247 -7.937 -3.250 590 HD2 HIS 73 HD2 HIS 73 -0.477 -9.301 -4.467 591 HE1 HIS 73 HE1 HIS 73 3.570 -8.753 -5.594 592 HE2 HIS 73 HE2 HIS 73 1.264 -9.362 -6.369 593 H LYS 74 H LYS 74 1.492 -6.157 0.194 594 HA LYS 74 HA LYS 74 -0.798 -5.644 1.919 595 HB2 LYS 74 HB3 LYS 74 2.189 -5.383 2.437 596 HB3 LYS 74 HB2 LYS 74 0.936 -5.136 3.651 597 HG2 LYS 74 HG3 LYS 74 0.239 -7.533 3.313 598 HG3 LYS 74 HG2 LYS 74 1.633 -7.730 2.247 599 HD2 LYS 74 HD3 LYS 74 2.170 -8.536 4.508 600 HD3 LYS 74 HD2 LYS 74 3.148 -7.121 4.112 601 HE2 LYS 74 HE3 LYS 74 1.586 -5.697 5.423 602 HE3 LYS 74 HE2 LYS 74 0.648 -7.130 5.844 603 HZ1 LYS 74 HZ1 LYS 74 3.491 -6.668 6.552 604 HZ2 LYS 74 HZ2 LYS 74 2.558 -8.008 6.994 605 HZ3 LYS 74 HZ3 LYS 74 2.170 -6.475 7.593 606 H GLY 75 H GLY 75 1.981 -3.774 0.698 607 HA2 GLY 75 HA3 GLY 75 1.661 -1.411 2.077 608 HA3 GLY 75 HA2 GLY 75 2.541 -1.584 0.574 609 H TYR 76 H TYR 76 0.179 -2.229 -1.059 610 HA TYR 76 HA TYR 76 -0.743 0.400 -1.689 611 HB2 TYR 76 HB2 TYR 76 -0.581 -1.423 -3.403 612 HB3 TYR 76 HB1 TYR 76 -1.904 -2.270 -2.612 613 HD1 TYR 76 HD1 TYR 76 -4.031 -2.005 -3.617 614 HD2 TYR 76 HD2 TYR 76 -1.207 1.184 -3.947 615 HE1 TYR 76 HE1 TYR 76 -5.644 -0.704 -4.935 616 HE2 TYR 76 HE2 TYR 76 -2.816 2.477 -5.259 617 HH TYR 76 HH TYR 76 -6.089 1.677 -5.473 618 H VAL 77 H VAL 77 -2.518 -2.450 -0.453 619 HA VAL 77 HA VAL 77 -4.977 -1.224 0.124 620 HB VAL 77 HB VAL 77 -3.737 -3.634 1.538 621 HG11 VAL 77 HG11 VAL 77 -5.711 -2.781 2.748 622 HG12 VAL 77 HG12 VAL 77 -6.064 -4.342 2.006 623 HG13 VAL 77 HG13 VAL 77 -6.670 -2.857 1.267 624 HG21 VAL 77 HG21 VAL 77 -3.738 -3.944 -0.913 625 HG22 VAL 77 HG22 VAL 77 -5.464 -3.578 -0.973 626 HG23 VAL 77 HG23 VAL 77 -4.900 -5.031 -0.145 627 H ALA 78 H ALA 78 -2.090 -1.636 2.102 628 HA ALA 78 HA ALA 78 -3.018 -0.628 4.572 629 HB1 ALA 78 HB1 ALA 78 -0.643 -0.461 5.181 630 HB2 ALA 78 HB2 ALA 78 -0.181 -0.681 3.489 631 HB3 ALA 78 HB3 ALA 78 -0.978 -1.990 4.365 632 H PHE 79 H PHE 79 -1.290 0.964 1.855 633 HA PHE 79 HA PHE 79 -1.080 3.544 3.052 634 HB2 PHE 79 HB2 PHE 79 0.304 2.736 1.102 635 HB3 PHE 79 HB1 PHE 79 -1.115 2.886 0.072 636 HD1 PHE 79 HD1 PHE 79 -1.178 4.857 -1.246 637 HD2 PHE 79 HD2 PHE 79 0.750 4.973 2.569 638 HE1 PHE 79 HE1 PHE 79 -0.579 7.221 -1.611 639 HE2 PHE 79 HE2 PHE 79 1.342 7.315 2.206 640 HZ PHE 79 HZ PHE 79 0.681 8.457 0.114 641 H LEU 80 H LEU 80 -3.543 2.023 1.015 642 HA LEU 80 HA LEU 80 -5.198 4.298 0.630 643 HB2 LEU 80 HB3 LEU 80 -5.850 1.336 0.560 644 HB3 LEU 80 HB2 LEU 80 -7.009 2.589 0.145 645 HG LEU 80 HG LEU 80 -4.462 1.876 -1.353 646 HD11 LEU 80 HD11 LEU 80 -6.336 0.412 -1.798 647 HD12 LEU 80 HD12 LEU 80 -6.017 1.420 -3.207 648 HD13 LEU 80 HD13 LEU 80 -7.381 1.791 -2.150 649 HD21 LEU 80 HD21 LEU 80 -5.001 3.681 -2.949 650 HD22 LEU 80 HD22 LEU 80 -4.627 4.318 -1.352 651 HD23 LEU 80 HD23 LEU 80 -6.306 4.235 -1.893 652 H GLU 81 H GLU 81 -5.457 1.614 3.004 653 HA GLU 81 HA GLU 81 -7.582 2.682 4.543 654 HB2 GLU 81 HB3 GLU 81 -5.356 0.758 5.332 655 HB3 GLU 81 HB2 GLU 81 -6.773 1.094 6.326 656 HG2 GLU 81 HG3 GLU 81 -8.242 0.141 4.635 657 HG3 GLU 81 HG2 GLU 81 -6.881 -0.081 3.535 658 H SER 82 H SER 82 -4.131 3.311 4.563 659 HA SER 82 HA SER 82 -3.898 4.737 7.004 660 HB2 SER 82 HB3 SER 82 -1.956 3.922 5.649 661 HB3 SER 82 HB2 SER 82 -2.301 5.157 4.438 662 HG SER 82 HG SER 82 -0.675 5.581 6.184 663 H LEU 83 H LEU 83 -4.274 5.960 3.650 664 HA LEU 83 HA LEU 83 -4.824 8.660 4.404 665 HB2 LEU 83 HB3 LEU 83 -5.482 7.259 1.789 666 HB3 LEU 83 HB2 LEU 83 -5.447 8.998 2.045 667 HG LEU 83 HG LEU 83 -3.078 7.092 2.048 668 HD11 LEU 83 HD11 LEU 83 -3.833 7.695 -0.174 669 HD12 LEU 83 HD12 LEU 83 -2.281 8.462 0.162 670 HD13 LEU 83 HD13 LEU 83 -3.767 9.414 0.229 671 HD21 LEU 83 HD21 LEU 83 -3.054 10.045 2.761 672 HD22 LEU 83 HD22 LEU 83 -1.630 9.034 2.505 673 HD23 LEU 83 HD23 LEU 83 -2.712 8.696 3.851 674 H GLU 84 H GLU 84 -6.835 5.846 4.156 675 HA GLU 84 HA GLU 84 -9.400 7.048 3.894 676 HB2 GLU 84 HB3 GLU 84 -8.867 4.663 3.460 677 HB3 GLU 84 HB2 GLU 84 -8.555 4.417 5.172 678 HG2 GLU 84 HG3 GLU 84 -10.926 4.834 5.669 679 HG3 GLU 84 HG2 GLU 84 -11.242 5.121 3.956 680 H LEU 85 H LEU 85 -7.359 6.278 6.688 681 HA LEU 85 HA LEU 85 -9.321 7.142 8.664 682 HB2 LEU 85 HB3 LEU 85 -6.438 6.222 8.989 683 HB3 LEU 85 HB2 LEU 85 -7.552 6.529 10.316 684 HG LEU 85 HG LEU 85 -7.867 4.345 8.212 685 HD11 LEU 85 HD11 LEU 85 -6.039 3.852 9.752 686 HD12 LEU 85 HD12 LEU 85 -7.396 2.761 10.025 687 HD13 LEU 85 HD13 LEU 85 -7.105 4.104 11.136 688 HD21 LEU 85 HD21 LEU 85 -10.053 5.153 8.955 689 HD22 LEU 85 HD22 LEU 85 -9.589 4.932 10.643 690 HD23 LEU 85 HD23 LEU 85 -9.748 3.533 9.577 691 H TYR 86 H TYR 86 -6.210 8.305 7.359 692 HA TYR 86 HA TYR 86 -6.041 10.531 9.225 693 HB2 TYR 86 HB2 TYR 86 -4.220 9.513 7.023 694 HB3 TYR 86 HB1 TYR 86 -3.897 11.034 7.847 695 HD1 TYR 86 HD1 TYR 86 -2.576 11.010 9.805 696 HD2 TYR 86 HD2 TYR 86 -4.493 7.381 8.609 697 HE1 TYR 86 HE1 TYR 86 -1.363 9.786 11.556 698 HE2 TYR 86 HE2 TYR 86 -3.280 6.158 10.360 699 HH TYR 86 HH TYR 86 -1.550 7.724 12.855 700 H TYR 87 H TYR 87 -6.605 10.218 5.690 701 HA TYR 87 HA TYR 87 -7.597 13.017 5.608 702 HB2 TYR 87 HB2 TYR 87 -5.498 11.827 3.730 703 HB3 TYR 87 HB1 TYR 87 -6.395 13.293 3.353 704 HD1 TYR 87 HD1 TYR 87 -3.532 11.951 5.152 705 HD2 TYR 87 HD2 TYR 87 -6.185 15.296 4.904 706 HE1 TYR 87 HE1 TYR 87 -1.936 13.320 6.441 707 HE2 TYR 87 HE2 TYR 87 -4.594 16.653 6.177 708 HH TYR 87 HH TYR 87 -2.804 16.342 7.785 709 HA PRO 88 HA PRO 88 -10.423 9.677 3.835 710 HB2 PRO 88 HB3 PRO 88 -12.823 10.855 4.608 711 HB3 PRO 88 HB2 PRO 88 -11.863 9.780 5.632 712 HG2 PRO 88 HG3 PRO 88 -11.922 12.798 5.582 713 HG3 PRO 88 HG2 PRO 88 -11.949 11.702 6.982 714 HD2 PRO 88 HD3 PRO 88 -9.679 12.935 6.234 715 HD3 PRO 88 HD2 PRO 88 -9.646 11.268 6.846 716 H GLN 89 H GLN 89 -10.964 13.206 3.445 717 HA GLN 89 HA GLN 89 -12.455 13.090 1.035 718 HB2 GLN 89 HB3 GLN 89 -11.868 15.482 0.742 719 HB3 GLN 89 HB2 GLN 89 -12.433 15.131 2.369 720 HG2 GLN 89 HG3 GLN 89 -10.147 15.215 3.223 721 HG3 GLN 89 HG2 GLN 89 -9.516 15.451 1.594 722 HE21 GLN 89 HE21 GLN 89 -9.809 17.474 0.588 723 HE22 GLN 89 HE22 GLN 89 -10.239 18.883 1.483 724 H LEU 90 H LEU 90 -8.959 13.280 1.634 725 HA LEU 90 HA LEU 90 -8.182 13.703 -1.081 726 HB2 LEU 90 HB3 LEU 90 -6.787 14.343 0.891 727 HB3 LEU 90 HB2 LEU 90 -6.523 12.642 1.237 728 HG LEU 90 HG LEU 90 -5.260 12.368 -0.860 729 HD11 LEU 90 HD11 LEU 90 -4.712 14.281 -2.300 730 HD12 LEU 90 HD12 LEU 90 -5.805 15.308 -1.372 731 HD13 LEU 90 HD13 LEU 90 -6.439 13.943 -2.297 732 HD21 LEU 90 HD21 LEU 90 -4.022 13.051 1.145 733 HD22 LEU 90 HD22 LEU 90 -4.278 14.753 0.746 734 HD23 LEU 90 HD23 LEU 90 -3.294 13.735 -0.309 735 H TYR 91 H TYR 91 -8.192 10.818 1.030 736 HA TYR 91 HA TYR 91 -7.467 8.807 -0.742 737 HB2 TYR 91 HB2 TYR 91 -7.774 8.273 1.587 738 HB3 TYR 91 HB1 TYR 91 -9.443 8.822 1.572 739 HD1 TYR 91 HD1 TYR 91 -11.180 7.211 1.313 740 HD2 TYR 91 HD2 TYR 91 -7.224 6.181 0.052 741 HE1 TYR 91 HE1 TYR 91 -11.926 4.917 0.836 742 HE2 TYR 91 HE2 TYR 91 -7.985 3.895 -0.417 743 HH TYR 91 HH TYR 91 -9.829 2.363 0.395 744 H LYS 92 H LYS 92 -10.716 10.097 -0.098 745 HA LYS 92 HA LYS 92 -12.244 8.564 -1.840 746 HB2 LYS 92 HB3 LYS 92 -13.186 9.937 -0.056 747 HB3 LYS 92 HB2 LYS 92 -12.649 11.410 -0.836 748 HG2 LYS 92 HG3 LYS 92 -14.616 9.634 -2.274 749 HG3 LYS 92 HG2 LYS 92 -15.184 10.628 -0.932 750 HD2 LYS 92 HD3 LYS 92 -14.335 12.661 -2.093 751 HD3 LYS 92 HD2 LYS 92 -13.804 11.663 -3.448 752 HE2 LYS 92 HE3 LYS 92 -15.937 12.730 -3.971 753 HE3 LYS 92 HE2 LYS 92 -16.160 10.985 -3.841 754 HZ1 LYS 92 HZ1 LYS 92 -16.980 11.335 -1.568 755 HZ2 LYS 92 HZ2 LYS 92 -17.929 12.128 -2.718 756 HZ3 LYS 92 HZ3 LYS 92 -16.838 13.006 -1.773 757 H LYS 93 H LYS 93 -10.585 11.668 -2.487 758 HA LYS 93 HA LYS 93 -11.517 11.922 -5.190 759 HB2 LYS 93 HB3 LYS 93 -9.242 13.302 -3.718 760 HB3 LYS 93 HB2 LYS 93 -9.762 13.739 -5.346 761 HG2 LYS 93 HG3 LYS 93 -12.036 14.259 -4.446 762 HG3 LYS 93 HG2 LYS 93 -11.446 13.917 -2.819 763 HD2 LYS 93 HD3 LYS 93 -10.393 16.100 -4.662 764 HD3 LYS 93 HD2 LYS 93 -11.507 16.352 -3.317 765 HE2 LYS 93 HE3 LYS 93 -9.776 15.605 -1.730 766 HE3 LYS 93 HE2 LYS 93 -8.663 15.296 -3.067 767 HZ1 LYS 93 HZ1 LYS 93 -8.199 17.408 -2.041 768 HZ2 LYS 93 HZ2 LYS 93 -9.782 17.940 -2.306 769 HZ3 LYS 93 HZ3 LYS 93 -8.757 17.656 -3.618 770 H VAL 94 H VAL 94 -8.441 10.663 -3.812 771 HA VAL 94 HA VAL 94 -7.185 10.337 -6.390 772 HB VAL 94 HB VAL 94 -5.318 9.245 -5.250 773 HG11 VAL 94 HG11 VAL 94 -4.622 11.076 -3.742 774 HG12 VAL 94 HG12 VAL 94 -6.280 11.676 -3.691 775 HG13 VAL 94 HG13 VAL 94 -5.380 11.700 -5.209 776 HG21 VAL 94 HG21 VAL 94 -5.301 8.839 -2.802 777 HG22 VAL 94 HG22 VAL 94 -6.521 7.856 -3.613 778 HG23 VAL 94 HG23 VAL 94 -7.004 9.296 -2.714 779 H THR 95 H THR 95 -9.334 8.349 -4.546 780 HA THR 95 HA THR 95 -8.936 6.063 -6.413 781 HB THR 95 HB THR 95 -10.081 4.622 -4.788 782 HG1 THR 95 HG1 THR 95 -10.145 6.513 -2.740 783 HG21 THR 95 HG21 THR 95 -7.642 4.907 -4.469 784 HG22 THR 95 HG22 THR 95 -8.461 4.641 -2.930 785 HG23 THR 95 HG23 THR 95 -7.943 6.266 -3.379 786 H GLY 96 H GLY 96 -10.536 8.706 -6.666 787 HA2 GLY 96 HA3 GLY 96 -13.346 7.953 -6.644 788 HA3 GLY 96 HA2 GLY 96 -12.669 9.501 -7.107 789 H LYS 97 H LYS 97 -12.292 6.185 -8.364 790 HA LYS 97 HA LYS 97 -12.163 6.848 -11.096 791 HB2 LYS 97 HB3 LYS 97 -12.523 4.338 -11.437 792 HB3 LYS 97 HB2 LYS 97 -11.174 4.791 -10.404 793 HG2 LYS 97 HG3 LYS 97 -12.477 4.246 -8.403 794 HG3 LYS 97 HG2 LYS 97 -13.886 3.865 -9.398 795 HD2 LYS 97 HD3 LYS 97 -12.586 2.018 -10.469 796 HD3 LYS 97 HD2 LYS 97 -11.230 2.373 -9.391 797 HE2 LYS 97 HE3 LYS 97 -12.553 0.468 -8.566 798 HE3 LYS 97 HE2 LYS 97 -12.630 1.824 -7.441 799 HZ1 LYS 97 HZ1 LYS 97 -14.805 2.395 -8.352 800 HZ2 LYS 97 HZ2 LYS 97 -14.792 0.818 -7.752 801 HZ3 LYS 97 HZ3 LYS 97 -14.724 1.086 -9.419 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -11.434 -9.885 -7.926 2 H2 MET 1 HT2 MET 1 -11.033 -10.167 -9.542 3 H3 MET 1 HT3 MET 1 -12.120 -11.192 -8.748 4 HA MET 1 HA MET 1 -13.298 -9.731 -10.225 5 HB2 MET 1 HB2 MET 1 -13.785 -8.856 -7.343 6 HB3 MET 1 HB1 MET 1 -14.962 -8.876 -8.655 7 HG2 MET 1 HG2 MET 1 -13.733 -11.255 -7.248 8 HG3 MET 1 HG1 MET 1 -15.419 -10.740 -7.220 9 HE1 MET 1 HE1 MET 1 -17.080 -10.994 -9.333 10 HE2 MET 1 HE2 MET 1 -16.562 -11.621 -10.896 11 HE3 MET 1 HE3 MET 1 -15.960 -10.063 -10.332 12 H SER 2 H SER 2 -12.294 -7.595 -7.512 13 HA SER 2 HA SER 2 -11.276 -5.566 -9.449 14 HB2 SER 2 HB3 SER 2 -12.011 -3.805 -7.868 15 HB3 SER 2 HB2 SER 2 -13.383 -4.799 -8.353 16 HG SER 2 HG SER 2 -12.727 -4.240 -5.933 17 H ASP 3 H ASP 3 -10.109 -7.840 -7.767 18 HA ASP 3 HA ASP 3 -8.457 -6.631 -5.717 19 HB2 ASP 3 HB3 ASP 3 -8.390 -9.498 -6.780 20 HB3 ASP 3 HB2 ASP 3 -7.797 -8.917 -5.223 21 H TYR 4 H TYR 4 -6.413 -5.857 -6.085 22 HA TYR 4 HA TYR 4 -5.181 -6.136 -8.684 23 HB2 TYR 4 HB2 TYR 4 -3.410 -4.684 -7.852 24 HB3 TYR 4 HB1 TYR 4 -4.978 -4.014 -7.438 25 HD1 TYR 4 HD1 TYR 4 -1.769 -5.045 -6.167 26 HD2 TYR 4 HD2 TYR 4 -5.817 -4.309 -5.000 27 HE1 TYR 4 HE1 TYR 4 -1.057 -4.829 -3.833 28 HE2 TYR 4 HE2 TYR 4 -5.095 -4.090 -2.658 29 HH TYR 4 HH TYR 4 -3.067 -4.971 -1.263 30 H GLU 5 H GLU 5 -4.227 -7.951 -9.253 31 HA GLU 5 HA GLU 5 -3.142 -9.849 -7.318 32 HB2 GLU 5 HB3 GLU 5 -3.480 -10.036 -10.339 33 HB3 GLU 5 HB2 GLU 5 -2.992 -11.366 -9.287 34 HG2 GLU 5 HG3 GLU 5 -5.153 -11.262 -8.119 35 HG3 GLU 5 HG2 GLU 5 -5.649 -9.898 -9.120 36 H ASN 6 H ASN 6 -1.832 -7.182 -8.475 37 HA ASN 6 HA ASN 6 0.885 -8.097 -8.076 38 HB2 ASN 6 HB3 ASN 6 0.634 -8.411 -10.516 39 HB3 ASN 6 HB2 ASN 6 0.076 -6.752 -10.690 40 HD21 ASN 6 HD21 ASN 6 1.699 -6.126 -12.052 41 HD22 ASN 6 HD22 ASN 6 3.352 -5.996 -11.571 42 H ASP 7 H ASP 7 2.271 -6.442 -7.444 43 HA ASP 7 HA ASP 7 1.149 -4.338 -5.916 44 HB2 ASP 7 HB3 ASP 7 4.076 -4.557 -6.743 45 HB3 ASP 7 HB2 ASP 7 3.424 -3.811 -5.287 46 H ASP 8 H ASP 8 2.585 -4.443 -9.134 47 HA ASP 8 HA ASP 8 3.072 -1.648 -9.474 48 HB2 ASP 8 HB3 ASP 8 2.774 -3.815 -11.595 49 HB3 ASP 8 HB2 ASP 8 3.485 -2.222 -11.849 50 H GLU 9 H GLU 9 0.256 -3.705 -10.112 51 HA GLU 9 HA GLU 9 -1.089 -2.086 -12.020 52 HB2 GLU 9 HB3 GLU 9 -2.477 -3.904 -9.998 53 HB3 GLU 9 HB2 GLU 9 -3.065 -3.425 -11.586 54 HG2 GLU 9 HG3 GLU 9 -0.837 -5.357 -10.926 55 HG3 GLU 9 HG2 GLU 9 -2.372 -5.708 -11.710 56 H CYS 10 H CYS 10 -1.406 -2.293 -8.506 57 HA CYS 10 HA CYS 10 -3.613 -0.492 -8.267 58 HB2 CYS 10 HB3 CYS 10 -3.129 -0.729 -5.827 59 HB3 CYS 10 HB2 CYS 10 -3.274 -2.261 -6.675 60 HG CYS 10 HG CYS 10 -1.237 -2.284 -4.670 61 H TRP 11 H TRP 11 -0.122 -0.142 -7.572 62 HA TRP 11 HA TRP 11 -0.305 2.596 -6.725 63 HB2 TRP 11 HB2 TRP 11 2.034 0.787 -7.390 64 HB3 TRP 11 HB1 TRP 11 2.265 2.479 -6.955 65 HD1 TRP 11 HD1 TRP 11 1.170 -0.876 -5.401 66 HE1 TRP 11 HE1 TRP 11 1.198 -0.626 -2.847 67 HE3 TRP 11 HE3 TRP 11 2.058 4.151 -5.076 68 HZ2 TRP 11 HZ2 TRP 11 1.556 1.409 -0.939 69 HZ3 TRP 11 HZ3 TRP 11 2.228 5.176 -2.843 70 HH2 TRP 11 HH2 TRP 11 1.981 3.830 -0.817 71 H SER 12 H SER 12 -0.019 1.104 -9.871 72 HA SER 12 HA SER 12 0.804 3.341 -11.411 73 HB2 SER 12 HB3 SER 12 0.595 1.103 -12.412 74 HB3 SER 12 HB2 SER 12 -1.146 1.103 -12.137 75 HG SER 12 HG SER 12 -1.046 1.789 -14.164 76 H VAL 13 H VAL 13 -2.360 2.427 -10.090 77 HA VAL 13 HA VAL 13 -3.945 4.445 -11.330 78 HB VAL 13 HB VAL 13 -4.464 3.036 -8.669 79 HG11 VAL 13 HG11 VAL 13 -6.414 4.420 -10.556 80 HG12 VAL 13 HG12 VAL 13 -5.920 4.998 -8.962 81 HG13 VAL 13 HG13 VAL 13 -6.862 3.513 -9.108 82 HG21 VAL 13 HG21 VAL 13 -5.314 2.183 -11.466 83 HG22 VAL 13 HG22 VAL 13 -5.795 1.396 -9.960 84 HG23 VAL 13 HG23 VAL 13 -4.103 1.382 -10.458 85 H LEU 14 H LEU 14 -2.328 4.302 -8.130 86 HA LEU 14 HA LEU 14 -3.000 6.947 -7.295 87 HB2 LEU 14 HB3 LEU 14 -0.730 5.140 -6.400 88 HB3 LEU 14 HB2 LEU 14 -1.139 6.662 -5.627 89 HG LEU 14 HG LEU 14 -2.828 4.140 -5.696 90 HD11 LEU 14 HD11 LEU 14 -0.988 4.074 -4.097 91 HD12 LEU 14 HD12 LEU 14 -2.539 4.158 -3.267 92 HD13 LEU 14 HD13 LEU 14 -1.523 5.599 -3.379 93 HD21 LEU 14 HD21 LEU 14 -4.477 5.343 -4.303 94 HD22 LEU 14 HD22 LEU 14 -4.346 6.035 -5.916 95 HD23 LEU 14 HD23 LEU 14 -3.586 6.850 -4.546 96 H GLU 15 H GLU 15 -0.397 5.692 -9.319 97 HA GLU 15 HA GLU 15 1.355 7.923 -9.158 98 HB2 GLU 15 HB3 GLU 15 2.010 5.658 -9.976 99 HB3 GLU 15 HB2 GLU 15 1.088 5.940 -11.447 100 HG2 GLU 15 HG3 GLU 15 2.590 7.719 -12.122 101 HG3 GLU 15 HG2 GLU 15 3.420 7.674 -10.569 102 H GLY 16 H GLY 16 -1.491 7.309 -11.139 103 HA2 GLY 16 HA3 GLY 16 -1.369 9.512 -12.902 104 HA3 GLY 16 HA2 GLY 16 -2.839 8.729 -12.340 105 H PHE 17 H PHE 17 -1.832 9.463 -9.490 106 HA PHE 17 HA PHE 17 -2.530 12.358 -9.432 107 HB2 PHE 17 HB2 PHE 17 -3.019 10.199 -7.307 108 HB3 PHE 17 HB1 PHE 17 -3.386 11.906 -7.108 109 HD1 PHE 17 HD1 PHE 17 -4.537 8.741 -8.501 110 HD2 PHE 17 HD2 PHE 17 -5.223 12.964 -8.431 111 HE1 PHE 17 HE1 PHE 17 -6.797 8.394 -9.416 112 HE2 PHE 17 HE2 PHE 17 -7.475 12.606 -9.345 113 HZ PHE 17 HZ PHE 17 -8.269 10.327 -9.836 114 H ARG 18 H ARG 18 0.231 10.863 -9.600 115 HA ARG 18 HA ARG 18 1.416 10.646 -7.068 116 HB2 ARG 18 HB3 ARG 18 2.243 9.663 -9.249 117 HB3 ARG 18 HB2 ARG 18 2.949 11.230 -9.624 118 HG2 ARG 18 HG3 ARG 18 4.470 11.073 -7.759 119 HG3 ARG 18 HG2 ARG 18 3.641 9.647 -7.134 120 HD2 ARG 18 HD3 ARG 18 4.324 8.409 -9.208 121 HD3 ARG 18 HD2 ARG 18 5.261 9.827 -9.691 122 HE ARG 18 HE ARG 18 6.415 9.436 -7.404 123 HH11 ARG 18 HH11 ARG 18 5.322 6.886 -9.479 124 HH12 ARG 18 HH12 ARG 18 6.568 5.810 -8.969 125 HH21 ARG 18 HH21 ARG 18 8.015 8.020 -6.804 126 HH22 ARG 18 HH22 ARG 18 8.068 6.443 -7.503 127 H VAL 19 H VAL 19 1.398 13.498 -9.210 128 HA VAL 19 HA VAL 19 3.079 15.246 -7.776 129 HB VAL 19 HB VAL 19 0.549 15.958 -9.334 130 HG11 VAL 19 HG11 VAL 19 2.904 17.738 -8.584 131 HG12 VAL 19 HG12 VAL 19 1.267 17.850 -7.933 132 HG13 VAL 19 HG13 VAL 19 1.562 18.204 -9.636 133 HG21 VAL 19 HG21 VAL 19 2.126 14.668 -10.712 134 HG22 VAL 19 HG22 VAL 19 3.428 15.786 -10.300 135 HG23 VAL 19 HG23 VAL 19 2.055 16.345 -11.259 136 H THR 20 H THR 20 -0.407 14.696 -7.458 137 HA THR 20 HA THR 20 -0.942 16.478 -5.324 138 HB THR 20 HB THR 20 -2.495 13.977 -6.117 139 HG1 THR 20 HG1 THR 20 -3.713 15.849 -7.271 140 HG21 THR 20 HG21 THR 20 -3.301 14.911 -3.999 141 HG22 THR 20 HG22 THR 20 -4.474 15.215 -5.282 142 HG23 THR 20 HG23 THR 20 -3.420 16.517 -4.729 143 H LEU 21 H LEU 21 -0.007 13.036 -5.418 144 HA LEU 21 HA LEU 21 -0.401 12.385 -2.684 145 HB2 LEU 21 HB3 LEU 21 1.735 11.185 -4.488 146 HB3 LEU 21 HB2 LEU 21 1.053 10.467 -3.037 147 HG LEU 21 HG LEU 21 -0.237 10.764 -5.766 148 HD11 LEU 21 HD11 LEU 21 -0.431 8.328 -5.656 149 HD12 LEU 21 HD12 LEU 21 0.333 8.322 -4.064 150 HD13 LEU 21 HD13 LEU 21 1.243 8.851 -5.482 151 HD21 LEU 21 HD21 LEU 21 -1.659 9.879 -3.237 152 HD22 LEU 21 HD22 LEU 21 -2.308 9.809 -4.877 153 HD23 LEU 21 HD23 LEU 21 -1.961 11.366 -4.136 154 H THR 22 H THR 22 2.575 13.364 -4.433 155 HA THR 22 HA THR 22 4.333 13.468 -2.224 156 HB THR 22 HB THR 22 5.810 14.881 -3.645 157 HG1 THR 22 HG1 THR 22 3.661 14.872 -5.525 158 HG21 THR 22 HG21 THR 22 4.508 12.614 -5.198 159 HG22 THR 22 HG22 THR 22 5.814 12.439 -4.025 160 HG23 THR 22 HG23 THR 22 6.095 13.315 -5.531 161 H SER 23 H SER 23 1.952 15.757 -3.303 162 HA SER 23 HA SER 23 2.922 18.042 -1.837 163 HB2 SER 23 HB3 SER 23 1.613 18.379 -3.875 164 HB3 SER 23 HB2 SER 23 0.245 17.504 -3.190 165 HG SER 23 HG SER 23 -0.348 19.253 -2.193 166 H VAL 24 H VAL 24 0.022 15.911 -1.383 167 HA VAL 24 HA VAL 24 -0.501 17.232 1.209 168 HB VAL 24 HB VAL 24 -2.370 15.398 -0.341 169 HG11 VAL 24 HG11 VAL 24 -4.162 16.393 1.078 170 HG12 VAL 24 HG12 VAL 24 -2.942 17.306 1.968 171 HG13 VAL 24 HG13 VAL 24 -2.957 15.545 2.052 172 HG21 VAL 24 HG21 VAL 24 -1.856 17.383 -1.699 173 HG22 VAL 24 HG22 VAL 24 -2.273 18.438 -0.348 174 HG23 VAL 24 HG23 VAL 24 -3.522 17.453 -1.114 175 H ILE 25 H ILE 25 0.102 13.932 -0.079 176 HA ILE 25 HA ILE 25 -0.255 12.635 2.499 177 HB ILE 25 HB ILE 25 1.183 11.483 0.062 178 HG12 ILE 25 HG12 ILE 25 -1.713 11.136 0.907 179 HG13 ILE 25 HG11 ILE 25 -1.153 12.088 -0.465 180 HG21 ILE 25 HG21 ILE 25 1.768 10.312 2.162 181 HG22 ILE 25 HG22 ILE 25 0.800 9.276 1.115 182 HG23 ILE 25 HG23 ILE 25 0.054 10.062 2.507 183 HD11 ILE 25 HD11 ILE 25 -0.915 9.111 -0.137 184 HD12 ILE 25 HD12 ILE 25 -0.290 10.045 -1.500 185 HD13 ILE 25 HD13 ILE 25 -2.024 9.984 -1.190 186 H ASP 26 H ASP 26 1.195 12.594 4.080 187 HA ASP 26 HA ASP 26 4.087 12.839 3.488 188 HB2 ASP 26 HB3 ASP 26 2.769 13.459 6.165 189 HB3 ASP 26 HB2 ASP 26 4.403 13.868 5.643 190 HA PRO 27 HA PRO 27 3.894 8.508 4.983 191 HB2 PRO 27 HB3 PRO 27 6.578 7.936 4.628 192 HB3 PRO 27 HB2 PRO 27 5.380 7.860 3.329 193 HG2 PRO 27 HG3 PRO 27 7.354 10.034 3.965 194 HG3 PRO 27 HG2 PRO 27 6.843 9.411 2.383 195 HD2 PRO 27 HD3 PRO 27 5.893 11.745 3.448 196 HD3 PRO 27 HD2 PRO 27 4.945 10.746 2.334 197 H SER 28 H SER 28 6.045 11.096 6.038 198 HA SER 28 HA SER 28 6.928 10.072 8.527 199 HB2 SER 28 HB3 SER 28 6.400 12.996 7.820 200 HB3 SER 28 HB2 SER 28 7.487 12.391 9.074 201 HG SER 28 HG SER 28 8.915 12.555 7.518 202 H ARG 29 H ARG 29 3.941 11.689 7.552 203 HA ARG 29 HA ARG 29 2.854 12.175 10.152 204 HB2 ARG 29 HB3 ARG 29 2.166 13.242 7.907 205 HB3 ARG 29 HB2 ARG 29 1.271 11.769 7.577 206 HG2 ARG 29 HG3 ARG 29 -0.281 13.394 8.390 207 HG3 ARG 29 HG2 ARG 29 -0.068 12.201 9.674 208 HD2 ARG 29 HD3 ARG 29 1.417 13.717 10.886 209 HD3 ARG 29 HD2 ARG 29 1.380 14.879 9.559 210 HE ARG 29 HE ARG 29 -0.654 14.439 11.581 211 HH11 ARG 29 HH11 ARG 29 0.022 15.923 8.510 212 HH12 ARG 29 HH12 ARG 29 -1.304 17.022 8.645 213 HH21 ARG 29 HH21 ARG 29 -2.333 15.863 11.710 214 HH22 ARG 29 HH22 ARG 29 -2.608 16.988 10.424 215 H ILE 30 H ILE 30 2.837 9.415 7.968 216 HA ILE 30 HA ILE 30 1.050 7.863 9.766 217 HB ILE 30 HB ILE 30 0.530 6.419 7.792 218 HG12 ILE 30 HG12 ILE 30 2.077 8.505 6.185 219 HG13 ILE 30 HG11 ILE 30 2.601 6.851 6.467 220 HG21 ILE 30 HG21 ILE 30 -0.115 9.357 7.362 221 HG22 ILE 30 HG22 ILE 30 -1.007 8.236 8.394 222 HG23 ILE 30 HG23 ILE 30 -0.981 7.993 6.647 223 HD11 ILE 30 HD11 ILE 30 0.193 7.719 4.873 224 HD12 ILE 30 HD12 ILE 30 0.666 6.046 5.178 225 HD13 ILE 30 HD13 ILE 30 1.719 7.103 4.239 226 H THR 31 H THR 31 4.230 8.174 9.620 227 HA THR 31 HA THR 31 5.346 5.689 8.966 228 HB THR 31 HB THR 31 7.085 6.371 10.954 229 HG1 THR 31 HG1 THR 31 6.685 8.240 11.759 230 HG21 THR 31 HG21 THR 31 8.375 7.660 9.321 231 HG22 THR 31 HG22 THR 31 6.945 7.861 8.310 232 HG23 THR 31 HG23 THR 31 7.647 6.257 8.534 233 HA PRO 32 HA PRO 32 4.592 4.107 13.631 234 HB2 PRO 32 HB3 PRO 32 2.172 5.126 14.654 235 HB3 PRO 32 HB2 PRO 32 3.788 5.628 15.156 236 HG2 PRO 32 HG3 PRO 32 1.941 6.925 13.167 237 HG3 PRO 32 HG2 PRO 32 2.978 7.677 14.395 238 HD2 PRO 32 HD3 PRO 32 3.723 7.673 11.841 239 HD3 PRO 32 HD2 PRO 32 4.925 7.403 13.125 240 H TYR 33 H TYR 33 1.900 5.084 11.512 241 HA TYR 33 HA TYR 33 0.320 2.734 11.761 242 HB2 TYR 33 HB2 TYR 33 -0.491 4.977 10.886 243 HB3 TYR 33 HB1 TYR 33 0.408 4.679 9.404 244 HD1 TYR 33 HD1 TYR 33 -0.312 2.723 7.904 245 HD2 TYR 33 HD2 TYR 33 -2.675 4.026 11.215 246 HE1 TYR 33 HE1 TYR 33 -2.253 1.526 6.996 247 HE2 TYR 33 HE2 TYR 33 -4.615 2.827 10.299 248 HH TYR 33 HH TYR 33 -4.326 0.586 7.708 249 H LEU 34 H LEU 34 2.915 3.692 9.503 250 HA LEU 34 HA LEU 34 2.642 1.532 7.665 251 HB2 LEU 34 HB3 LEU 34 4.988 3.388 8.203 252 HB3 LEU 34 HB2 LEU 34 4.934 2.247 6.869 253 HG LEU 34 HG LEU 34 3.047 4.609 7.244 254 HD11 LEU 34 HD11 LEU 34 5.324 4.264 5.267 255 HD12 LEU 34 HD12 LEU 34 5.296 5.347 6.662 256 HD13 LEU 34 HD13 LEU 34 4.186 5.616 5.323 257 HD21 LEU 34 HD21 LEU 34 3.213 2.650 4.926 258 HD22 LEU 34 HD22 LEU 34 2.211 4.103 4.986 259 HD23 LEU 34 HD23 LEU 34 1.899 2.778 6.101 260 H ARG 35 H ARG 35 4.876 2.019 10.451 261 HA ARG 35 HA ARG 35 6.134 -0.540 10.217 262 HB2 ARG 35 HB3 ARG 35 7.015 -0.181 12.490 263 HB3 ARG 35 HB2 ARG 35 7.266 1.221 11.458 264 HG2 ARG 35 HG3 ARG 35 5.776 2.557 12.643 265 HG3 ARG 35 HG2 ARG 35 4.839 1.187 13.237 266 HD2 ARG 35 HD3 ARG 35 6.101 2.272 15.047 267 HD3 ARG 35 HD2 ARG 35 6.624 0.604 14.797 268 HE ARG 35 HE ARG 35 8.251 2.391 13.329 269 HH11 ARG 35 HH11 ARG 35 7.755 1.316 16.578 270 HH12 ARG 35 HH12 ARG 35 9.382 1.668 17.036 271 HH21 ARG 35 HH21 ARG 35 10.307 2.810 13.951 272 HH22 ARG 35 HH22 ARG 35 10.802 2.500 15.579 273 H GLN 36 H GLN 36 3.317 0.582 12.151 274 HA GLN 36 HA GLN 36 2.940 -1.836 13.614 275 HB2 GLN 36 HB3 GLN 36 1.999 0.373 14.283 276 HB3 GLN 36 HB2 GLN 36 0.881 0.305 12.927 277 HG2 GLN 36 HG3 GLN 36 -0.255 -1.620 13.905 278 HG3 GLN 36 HG2 GLN 36 0.929 -1.698 15.209 279 HE21 GLN 36 HE21 GLN 36 -0.704 -1.500 16.765 280 HE22 GLN 36 HE22 GLN 36 -1.525 -0.011 17.061 281 H CYS 37 H CYS 37 1.766 -0.808 10.443 282 HA CYS 37 HA CYS 37 0.099 -3.148 10.021 283 HB2 CYS 37 HB3 CYS 37 0.988 -0.942 8.142 284 HB3 CYS 37 HB2 CYS 37 -0.096 -2.253 7.671 285 HG CYS 37 HG CYS 37 -0.694 0.312 9.824 286 H LYS 38 H LYS 38 3.390 -2.794 10.102 287 HA LYS 38 HA LYS 38 5.153 -4.101 9.565 288 HB2 LYS 38 HB3 LYS 38 3.060 -6.117 8.639 289 HB3 LYS 38 HB2 LYS 38 4.754 -6.480 8.948 290 HG2 LYS 38 HG3 LYS 38 2.793 -5.506 11.056 291 HG3 LYS 38 HG2 LYS 38 3.200 -7.199 10.770 292 HD2 LYS 38 HD3 LYS 38 5.567 -6.716 11.346 293 HD3 LYS 38 HD2 LYS 38 5.143 -5.027 11.651 294 HE2 LYS 38 HE3 LYS 38 3.675 -5.707 13.499 295 HE3 LYS 38 HE2 LYS 38 4.003 -7.409 13.165 296 HZ1 LYS 38 HZ1 LYS 38 5.311 -6.549 15.013 297 HZ2 LYS 38 HZ2 LYS 38 6.036 -5.410 13.995 298 HZ3 LYS 38 HZ3 LYS 38 6.303 -7.062 13.742 299 H VAL 39 H VAL 39 3.856 -2.294 7.457 300 HA VAL 39 HA VAL 39 4.558 -3.621 4.935 301 HB VAL 39 HB VAL 39 3.442 -1.840 3.756 302 HG11 VAL 39 HG11 VAL 39 1.987 -3.555 4.785 303 HG12 VAL 39 HG12 VAL 39 1.160 -2.006 4.650 304 HG13 VAL 39 HG13 VAL 39 1.788 -2.539 6.213 305 HG21 VAL 39 HG21 VAL 39 3.195 -0.334 6.391 306 HG22 VAL 39 HG22 VAL 39 2.455 0.156 4.864 307 HG23 VAL 39 HG23 VAL 39 4.212 0.122 5.024 308 H LEU 40 H LEU 40 5.806 -1.113 7.059 309 HA LEU 40 HA LEU 40 8.040 -0.588 5.175 310 HB2 LEU 40 HB3 LEU 40 6.526 1.392 5.651 311 HB3 LEU 40 HB2 LEU 40 7.021 1.301 7.331 312 HG LEU 40 HG LEU 40 9.393 1.753 6.629 313 HD11 LEU 40 HD11 LEU 40 9.313 0.892 4.346 314 HD12 LEU 40 HD12 LEU 40 9.874 2.561 4.365 315 HD13 LEU 40 HD13 LEU 40 8.220 2.195 3.868 316 HD21 LEU 40 HD21 LEU 40 7.991 3.605 7.406 317 HD22 LEU 40 HD22 LEU 40 7.410 3.881 5.762 318 HD23 LEU 40 HD23 LEU 40 9.113 4.144 6.155 319 H ASN 41 H ASN 41 10.108 -0.629 5.945 320 HA ASN 41 HA ASN 41 10.633 -2.083 8.419 321 HB2 ASN 41 HB3 ASN 41 12.565 -1.150 6.257 322 HB3 ASN 41 HB2 ASN 41 12.925 -2.298 7.541 323 HD21 ASN 41 HD21 ASN 41 10.358 -3.735 7.268 324 HD22 ASN 41 HD22 ASN 41 10.467 -4.611 5.787 325 HA PRO 42 HA PRO 42 11.735 1.408 10.970 326 HB2 PRO 42 HB3 PRO 42 13.926 0.474 12.409 327 HB3 PRO 42 HB2 PRO 42 12.254 -0.002 12.737 328 HG2 PRO 42 HG3 PRO 42 14.342 -1.443 11.093 329 HG3 PRO 42 HG2 PRO 42 13.255 -2.102 12.340 330 HD2 PRO 42 HD3 PRO 42 12.673 -2.413 9.746 331 HD3 PRO 42 HD2 PRO 42 11.377 -2.047 10.909 332 H ASP 43 H ASP 43 14.405 -0.004 9.112 333 HA ASP 43 HA ASP 43 16.316 2.076 9.339 334 HB2 ASP 43 HB3 ASP 43 15.977 0.152 6.999 335 HB3 ASP 43 HB2 ASP 43 17.453 0.995 7.464 336 H ASP 44 H ASP 44 14.004 1.331 6.697 337 HA ASP 44 HA ASP 44 14.489 3.670 5.156 338 HB2 ASP 44 HB3 ASP 44 13.318 1.446 4.448 339 HB3 ASP 44 HB2 ASP 44 11.854 2.172 5.091 340 H GLU 45 H GLU 45 12.141 2.890 7.675 341 HA GLU 45 HA GLU 45 10.574 5.208 7.700 342 HB2 GLU 45 HB3 GLU 45 9.948 3.221 8.938 343 HB3 GLU 45 HB2 GLU 45 11.394 3.324 9.932 344 HG2 GLU 45 HG3 GLU 45 10.540 5.373 10.987 345 HG3 GLU 45 HG2 GLU 45 9.101 5.305 9.968 346 H GLU 46 H GLU 46 13.723 4.590 9.310 347 HA GLU 46 HA GLU 46 13.986 7.020 10.711 348 HB2 GLU 46 HB3 GLU 46 16.088 5.166 9.540 349 HB3 GLU 46 HB2 GLU 46 16.509 6.581 10.498 350 HG2 GLU 46 HG3 GLU 46 14.811 4.266 11.479 351 HG3 GLU 46 HG2 GLU 46 16.533 4.463 11.794 352 H GLN 47 H GLN 47 15.049 6.176 7.403 353 HA GLN 47 HA GLN 47 16.022 8.585 6.445 354 HB2 GLN 47 HB3 GLN 47 16.057 6.627 5.026 355 HB3 GLN 47 HB2 GLN 47 14.310 6.479 5.072 356 HG2 GLN 47 HG3 GLN 47 14.266 8.741 3.820 357 HG3 GLN 47 HG2 GLN 47 15.979 8.472 3.533 358 HE21 GLN 47 HE21 GLN 47 13.471 5.951 3.546 359 HE22 GLN 47 HE22 GLN 47 13.610 5.575 1.870 360 H VAL 48 H VAL 48 12.605 7.533 6.487 361 HA VAL 48 HA VAL 48 11.426 9.825 5.356 362 HB VAL 48 HB VAL 48 10.137 7.916 7.360 363 HG11 VAL 48 HG11 VAL 48 8.892 9.660 5.207 364 HG12 VAL 48 HG12 VAL 48 8.795 9.923 6.950 365 HG13 VAL 48 HG13 VAL 48 8.024 8.512 6.228 366 HG21 VAL 48 HG21 VAL 48 9.389 6.585 5.418 367 HG22 VAL 48 HG22 VAL 48 11.147 6.632 5.526 368 HG23 VAL 48 HG23 VAL 48 10.314 7.631 4.338 369 H LEU 49 H LEU 49 11.840 8.952 8.785 370 HA LEU 49 HA LEU 49 10.604 11.290 9.885 371 HB2 LEU 49 HB3 LEU 49 12.218 9.031 11.098 372 HB3 LEU 49 HB2 LEU 49 11.609 10.359 12.074 373 HG LEU 49 HG LEU 49 9.857 8.459 10.457 374 HD11 LEU 49 HD11 LEU 49 9.188 7.495 12.621 375 HD12 LEU 49 HD12 LEU 49 10.382 8.499 13.448 376 HD13 LEU 49 HD13 LEU 49 10.905 7.261 12.302 377 HD21 LEU 49 HD21 LEU 49 7.978 9.492 11.669 378 HD22 LEU 49 HD22 LEU 49 8.847 10.683 10.706 379 HD23 LEU 49 HD23 LEU 49 9.087 10.620 12.455 380 H SER 50 H SER 50 13.817 10.700 8.713 381 HA SER 50 HA SER 50 15.184 12.786 10.069 382 HB2 SER 50 HB3 SER 50 16.298 11.118 8.591 383 HB3 SER 50 HB2 SER 50 15.576 11.892 7.181 384 HG SER 50 HG SER 50 17.641 12.774 8.856 385 H ASP 51 H ASP 51 12.853 12.934 7.382 386 HA ASP 51 HA ASP 51 12.792 15.902 7.659 387 HB2 ASP 51 HB3 ASP 51 12.323 14.289 5.119 388 HB3 ASP 51 HB2 ASP 51 11.952 16.001 5.271 389 HA PRO 52 HA PRO 52 8.612 14.231 8.851 390 HB2 PRO 52 HB3 PRO 52 8.617 16.010 11.158 391 HB3 PRO 52 HB2 PRO 52 8.690 14.248 11.133 392 HG2 PRO 52 HG3 PRO 52 10.778 15.874 11.930 393 HG3 PRO 52 HG2 PRO 52 10.978 14.214 11.333 394 HD2 PRO 52 HD3 PRO 52 11.366 16.823 9.874 395 HD3 PRO 52 HD2 PRO 52 12.331 15.329 9.799 396 H ASN 53 H ASN 53 9.693 17.617 9.010 397 HA ASN 53 HA ASN 53 7.195 18.547 7.737 398 HB2 ASN 53 HB3 ASN 53 7.105 20.469 9.300 399 HB3 ASN 53 HB2 ASN 53 6.989 18.942 10.165 400 HD21 ASN 53 HD21 ASN 53 7.796 21.533 11.205 401 HD22 ASN 53 HD22 ASN 53 9.399 21.342 11.820 402 H LEU 54 H LEU 54 10.182 18.130 7.031 403 HA LEU 54 HA LEU 54 11.169 20.838 6.518 404 HB2 LEU 54 HB3 LEU 54 12.482 18.138 6.006 405 HB3 LEU 54 HB2 LEU 54 13.271 19.706 5.900 406 HG LEU 54 HG LEU 54 12.179 18.435 8.445 407 HD11 LEU 54 HD11 LEU 54 14.510 18.248 9.157 408 HD12 LEU 54 HD12 LEU 54 15.057 18.882 7.603 409 HD13 LEU 54 HD13 LEU 54 14.214 17.331 7.680 410 HD21 LEU 54 HD21 LEU 54 11.941 20.867 8.555 411 HD22 LEU 54 HD22 LEU 54 13.641 21.081 8.127 412 HD23 LEU 54 HD23 LEU 54 13.200 20.316 9.657 413 H VAL 55 H VAL 55 12.472 20.982 4.289 414 HA VAL 55 HA VAL 55 10.441 21.241 2.295 415 HB VAL 55 HB VAL 55 13.452 21.643 2.037 416 HG11 VAL 55 HG11 VAL 55 12.469 21.362 -0.197 417 HG12 VAL 55 HG12 VAL 55 12.941 23.044 0.046 418 HG13 VAL 55 HG13 VAL 55 11.243 22.581 0.163 419 HG21 VAL 55 HG21 VAL 55 11.259 23.678 2.601 420 HG22 VAL 55 HG22 VAL 55 12.966 24.054 2.351 421 HG23 VAL 55 HG23 VAL 55 12.469 23.106 3.753 422 H ILE 56 H ILE 56 13.304 19.076 2.463 423 HA ILE 56 HA ILE 56 12.969 17.859 -0.099 424 HB ILE 56 HB ILE 56 14.514 16.818 2.323 425 HG12 ILE 56 HG12 ILE 56 15.269 19.079 1.604 426 HG13 ILE 56 HG11 ILE 56 16.512 17.869 1.318 427 HG21 ILE 56 HG21 ILE 56 15.882 15.508 0.696 428 HG22 ILE 56 HG22 ILE 56 14.780 15.993 -0.598 429 HG23 ILE 56 HG23 ILE 56 14.194 14.992 0.731 430 HD11 ILE 56 HD11 ILE 56 14.689 19.065 -0.773 431 HD12 ILE 56 HD12 ILE 56 15.936 17.849 -1.067 432 HD13 ILE 56 HD13 ILE 56 16.387 19.458 -0.504 433 H ARG 57 H ARG 57 11.144 17.450 2.735 434 HA ARG 57 HA ARG 57 10.452 14.790 2.881 435 HB2 ARG 57 HB3 ARG 57 9.624 16.481 4.482 436 HB3 ARG 57 HB2 ARG 57 8.552 17.139 3.247 437 HG2 ARG 57 HG3 ARG 57 7.384 14.907 3.153 438 HG3 ARG 57 HG2 ARG 57 8.397 14.369 4.496 439 HD2 ARG 57 HD3 ARG 57 6.196 15.087 5.291 440 HD3 ARG 57 HD2 ARG 57 7.464 16.152 5.916 441 HE ARG 57 HE ARG 57 6.257 17.109 3.478 442 HH11 ARG 57 HH11 ARG 57 5.861 17.110 6.924 443 HH12 ARG 57 HH12 ARG 57 4.869 18.523 6.902 444 HH21 ARG 57 HH21 ARG 57 4.985 18.878 3.486 445 HH22 ARG 57 HH22 ARG 57 4.367 19.503 4.973 446 H LYS 58 H LYS 58 8.835 17.241 0.756 447 HA LYS 58 HA LYS 58 6.961 15.486 -0.395 448 HB2 LYS 58 HB3 LYS 58 6.913 17.230 -2.345 449 HB3 LYS 58 HB2 LYS 58 6.379 17.695 -0.745 450 HG2 LYS 58 HG3 LYS 58 7.622 19.505 -1.695 451 HG3 LYS 58 HG2 LYS 58 8.547 18.829 -0.359 452 HD2 LYS 58 HD3 LYS 58 9.979 19.453 -2.269 453 HD3 LYS 58 HD2 LYS 58 10.063 17.724 -1.926 454 HE2 LYS 58 HE3 LYS 58 9.980 18.187 -4.349 455 HE3 LYS 58 HE2 LYS 58 8.580 17.260 -3.820 456 HZ1 LYS 58 HZ1 LYS 58 7.266 19.279 -3.859 457 HZ2 LYS 58 HZ2 LYS 58 7.981 19.019 -5.365 458 HZ3 LYS 58 HZ3 LYS 58 8.612 20.185 -4.321 459 H ARG 59 H ARG 59 10.291 16.005 -1.284 460 HA ARG 59 HA ARG 59 10.301 14.687 -3.821 461 HB2 ARG 59 HB3 ARG 59 12.013 16.323 -3.138 462 HB3 ARG 59 HB2 ARG 59 12.520 15.274 -1.820 463 HG2 ARG 59 HG3 ARG 59 13.334 13.612 -3.467 464 HG3 ARG 59 HG2 ARG 59 12.821 14.672 -4.785 465 HD2 ARG 59 HD3 ARG 59 14.410 16.396 -4.054 466 HD3 ARG 59 HD2 ARG 59 14.874 15.406 -2.667 467 HE ARG 59 HE ARG 59 15.541 13.734 -4.556 468 HH11 ARG 59 HH11 ARG 59 15.958 17.170 -4.727 469 HH12 ARG 59 HH12 ARG 59 17.425 17.047 -5.627 470 HH21 ARG 59 HH21 ARG 59 17.419 13.606 -5.686 471 HH22 ARG 59 HH22 ARG 59 18.236 15.050 -6.174 472 H LYS 60 H LYS 60 11.299 13.710 -0.542 473 HA LYS 60 HA LYS 60 11.754 10.983 -1.267 474 HB2 LYS 60 HB3 LYS 60 12.159 10.529 1.068 475 HB3 LYS 60 HB2 LYS 60 13.008 11.972 0.531 476 HG2 LYS 60 HG3 LYS 60 10.946 13.235 1.548 477 HG3 LYS 60 HG2 LYS 60 10.689 11.727 2.437 478 HD2 LYS 60 HD3 LYS 60 13.188 13.453 2.441 479 HD3 LYS 60 HD2 LYS 60 12.034 13.287 3.764 480 HE2 LYS 60 HE3 LYS 60 12.685 10.947 4.074 481 HE3 LYS 60 HE2 LYS 60 13.759 11.031 2.676 482 HZ1 LYS 60 HZ1 LYS 60 15.094 12.639 3.825 483 HZ2 LYS 60 HZ2 LYS 60 14.940 11.255 4.773 484 HZ3 LYS 60 HZ3 LYS 60 14.050 12.642 5.144 485 H VAL 61 H VAL 61 8.793 12.665 -0.313 486 HA VAL 61 HA VAL 61 7.200 10.396 0.308 487 HB VAL 61 HB VAL 61 6.235 12.757 -1.383 488 HG11 VAL 61 HG11 VAL 61 4.715 10.814 -1.490 489 HG12 VAL 61 HG12 VAL 61 3.962 12.135 -0.596 490 HG13 VAL 61 HG13 VAL 61 4.636 10.757 0.277 491 HG21 VAL 61 HG21 VAL 61 6.187 12.489 1.636 492 HG22 VAL 61 HG22 VAL 61 5.285 13.704 0.732 493 HG23 VAL 61 HG23 VAL 61 7.044 13.697 0.688 494 H GLY 62 H GLY 62 7.921 11.980 -2.813 495 HA2 GLY 62 HA3 GLY 62 6.773 10.208 -4.614 496 HA3 GLY 62 HA2 GLY 62 8.197 11.187 -4.937 497 H VAL 63 H VAL 63 10.142 10.142 -3.357 498 HA VAL 63 HA VAL 63 10.924 7.689 -4.548 499 HB VAL 63 HB VAL 63 11.916 8.870 -1.912 500 HG11 VAL 63 HG11 VAL 63 13.257 6.826 -3.739 501 HG12 VAL 63 HG12 VAL 63 12.602 6.511 -2.129 502 HG13 VAL 63 HG13 VAL 63 13.997 7.573 -2.321 503 HG21 VAL 63 HG21 VAL 63 12.968 9.285 -4.745 504 HG22 VAL 63 HG22 VAL 63 13.724 9.898 -3.271 505 HG23 VAL 63 HG23 VAL 63 12.133 10.487 -3.753 506 H LEU 64 H LEU 64 9.217 8.310 -1.503 507 HA LEU 64 HA LEU 64 9.313 5.637 -0.489 508 HB2 LEU 64 HB3 LEU 64 8.223 8.210 0.441 509 HB3 LEU 64 HB2 LEU 64 7.140 6.895 0.824 510 HG LEU 64 HG LEU 64 8.658 7.408 2.691 511 HD11 LEU 64 HD11 LEU 64 7.779 5.140 2.468 512 HD12 LEU 64 HD12 LEU 64 9.390 5.125 3.180 513 HD13 LEU 64 HD13 LEU 64 9.172 4.670 1.487 514 HD21 LEU 64 HD21 LEU 64 11.065 6.945 2.561 515 HD22 LEU 64 HD22 LEU 64 10.600 8.202 1.418 516 HD23 LEU 64 HD23 LEU 64 10.917 6.564 0.842 517 H LEU 65 H LEU 65 7.105 7.257 -2.676 518 HA LEU 65 HA LEU 65 4.931 5.423 -2.509 519 HB2 LEU 65 HB3 LEU 65 5.901 7.096 -4.862 520 HB3 LEU 65 HB2 LEU 65 4.342 6.283 -4.791 521 HG LEU 65 HG LEU 65 5.224 8.512 -2.914 522 HD11 LEU 65 HD11 LEU 65 3.656 9.967 -4.077 523 HD12 LEU 65 HD12 LEU 65 3.290 8.681 -5.232 524 HD13 LEU 65 HD13 LEU 65 4.911 9.379 -5.169 525 HD21 LEU 65 HD21 LEU 65 2.902 8.556 -2.142 526 HD22 LEU 65 HD22 LEU 65 3.649 6.992 -1.836 527 HD23 LEU 65 HD23 LEU 65 2.518 7.178 -3.179 528 H ASP 66 H ASP 66 7.906 5.513 -4.429 529 HA ASP 66 HA ASP 66 7.566 3.120 -5.916 530 HB2 ASP 66 HB3 ASP 66 9.186 4.877 -6.545 531 HB3 ASP 66 HB2 ASP 66 10.119 4.568 -5.085 532 H ILE 67 H ILE 67 9.171 3.773 -2.787 533 HA ILE 67 HA ILE 67 10.159 1.162 -2.270 534 HB ILE 67 HB ILE 67 9.475 3.419 -0.336 535 HG12 ILE 67 HG12 ILE 67 12.168 2.607 -1.529 536 HG13 ILE 67 HG11 ILE 67 11.198 3.966 -2.080 537 HG21 ILE 67 HG21 ILE 67 11.138 0.931 0.220 538 HG22 ILE 67 HG22 ILE 67 9.570 1.319 0.933 539 HG23 ILE 67 HG23 ILE 67 10.979 2.313 1.310 540 HD11 ILE 67 HD11 ILE 67 13.055 4.672 -0.675 541 HD12 ILE 67 HD12 ILE 67 12.442 3.696 0.663 542 HD13 ILE 67 HD13 ILE 67 11.507 5.072 0.067 543 H LEU 68 H LEU 68 7.145 2.763 -1.214 544 HA LEU 68 HA LEU 68 6.064 0.490 0.161 545 HB2 LEU 68 HB3 LEU 68 4.768 3.063 -0.787 546 HB3 LEU 68 HB2 LEU 68 3.928 1.856 0.176 547 HG LEU 68 HG LEU 68 6.376 3.437 1.083 548 HD11 LEU 68 HD11 LEU 68 4.412 4.872 0.892 549 HD12 LEU 68 HD12 LEU 68 4.857 4.636 2.579 550 HD13 LEU 68 HD13 LEU 68 3.474 3.769 1.903 551 HD21 LEU 68 HD21 LEU 68 6.309 1.222 2.140 552 HD22 LEU 68 HD22 LEU 68 4.651 1.504 2.677 553 HD23 LEU 68 HD23 LEU 68 5.969 2.491 3.315 554 H GLN 69 H GLN 69 5.978 1.559 -3.197 555 HA GLN 69 HA GLN 69 3.975 -0.212 -4.151 556 HB2 GLN 69 HB3 GLN 69 4.918 1.633 -5.510 557 HB3 GLN 69 HB2 GLN 69 6.462 0.792 -5.593 558 HG2 GLN 69 HG3 GLN 69 5.390 -1.042 -6.860 559 HG3 GLN 69 HG2 GLN 69 3.843 -0.202 -6.768 560 HE21 GLN 69 HE21 GLN 69 5.306 -1.009 -9.128 561 HE22 GLN 69 HE22 GLN 69 5.613 0.425 -10.034 562 H ARG 70 H ARG 70 7.419 -0.733 -3.432 563 HA ARG 70 HA ARG 70 7.751 -3.259 -4.692 564 HB2 ARG 70 HB3 ARG 70 9.245 -2.281 -2.222 565 HB3 ARG 70 HB2 ARG 70 9.793 -3.498 -3.373 566 HG2 ARG 70 HG3 ARG 70 9.495 -0.519 -3.848 567 HG3 ARG 70 HG2 ARG 70 10.992 -1.448 -3.782 568 HD2 ARG 70 HD3 ARG 70 10.376 -2.635 -5.839 569 HD3 ARG 70 HD2 ARG 70 8.829 -1.788 -5.887 570 HE ARG 70 HE ARG 70 10.159 0.309 -6.159 571 HH11 ARG 70 HH11 ARG 70 11.626 -2.697 -7.087 572 HH12 ARG 70 HH12 ARG 70 12.578 -1.956 -8.326 573 HH21 ARG 70 HH21 ARG 70 11.392 1.211 -7.743 574 HH22 ARG 70 HH22 ARG 70 12.447 0.218 -8.692 575 H THR 71 H THR 71 6.564 -2.356 -1.518 576 HA THR 71 HA THR 71 5.948 -5.153 -0.768 577 HB THR 71 HB THR 71 7.085 -3.794 0.959 578 HG1 THR 71 HG1 THR 71 4.563 -3.896 2.106 579 HG21 THR 71 HG21 THR 71 5.973 -1.861 2.030 580 HG22 THR 71 HG22 THR 71 4.670 -1.951 0.846 581 HG23 THR 71 HG23 THR 71 6.305 -1.544 0.324 582 H GLY 72 H GLY 72 4.501 -3.563 -2.898 583 HA2 GLY 72 HA3 GLY 72 2.347 -2.041 -2.092 584 HA3 GLY 72 HA2 GLY 72 2.479 -2.853 -3.636 585 H HIS 73 H HIS 73 2.309 -5.587 -2.263 586 HA HIS 73 HA HIS 73 -0.513 -5.907 -2.382 587 HB2 HIS 73 HB2 HIS 73 1.002 -7.773 -2.905 588 HB3 HIS 73 HB1 HIS 73 1.601 -7.794 -1.249 589 HD1 HIS 73 HD1 HIS 73 0.608 -9.630 0.062 590 HD2 HIS 73 HD2 HIS 73 -2.038 -8.248 -2.827 591 HE1 HIS 73 HE1 HIS 73 -1.440 -11.051 0.306 592 HE2 HIS 73 HE2 HIS 73 -2.960 -10.301 -1.554 593 H LYS 74 H LYS 74 1.702 -5.680 0.399 594 HA LYS 74 HA LYS 74 -0.477 -5.420 2.323 595 HB2 LYS 74 HB3 LYS 74 2.537 -5.097 2.584 596 HB3 LYS 74 HB2 LYS 74 1.411 -4.908 3.926 597 HG2 LYS 74 HG3 LYS 74 0.667 -7.278 3.550 598 HG3 LYS 74 HG2 LYS 74 1.941 -7.432 2.336 599 HD2 LYS 74 HD3 LYS 74 2.645 -8.365 4.519 600 HD3 LYS 74 HD2 LYS 74 3.654 -6.996 4.046 601 HE2 LYS 74 HE3 LYS 74 3.046 -6.941 6.459 602 HE3 LYS 74 HE2 LYS 74 2.450 -5.527 5.591 603 HZ1 LYS 74 HZ1 LYS 74 0.807 -6.440 7.116 604 HZ2 LYS 74 HZ2 LYS 74 0.831 -7.919 6.291 605 HZ3 LYS 74 HZ3 LYS 74 0.264 -6.529 5.517 606 H GLY 75 H GLY 75 1.917 -3.379 0.759 607 HA2 GLY 75 HA3 GLY 75 1.777 -1.068 2.297 608 HA3 GLY 75 HA2 GLY 75 2.383 -1.165 0.653 609 H TYR 76 H TYR 76 0.086 -1.816 -0.755 610 HA TYR 76 HA TYR 76 -1.142 0.715 -1.100 611 HB2 TYR 76 HB2 TYR 76 -0.825 -0.957 -2.925 612 HB3 TYR 76 HB1 TYR 76 -2.040 -1.982 -2.184 613 HD1 TYR 76 HD1 TYR 76 -4.323 -1.730 -2.829 614 HD2 TYR 76 HD2 TYR 76 -1.579 1.447 -3.618 615 HE1 TYR 76 HE1 TYR 76 -6.050 -0.564 -4.130 616 HE2 TYR 76 HE2 TYR 76 -3.307 2.602 -4.916 617 HH TYR 76 HH TYR 76 -5.333 2.283 -6.012 618 H VAL 77 H VAL 77 -2.344 -2.320 0.360 619 HA VAL 77 HA VAL 77 -4.973 -1.524 0.992 620 HB VAL 77 HB VAL 77 -3.153 -3.506 2.440 621 HG11 VAL 77 HG11 VAL 77 -6.160 -3.145 2.759 622 HG12 VAL 77 HG12 VAL 77 -4.935 -2.805 3.985 623 HG13 VAL 77 HG13 VAL 77 -5.209 -4.463 3.451 624 HG21 VAL 77 HG21 VAL 77 -4.426 -5.228 1.201 625 HG22 VAL 77 HG22 VAL 77 -3.621 -4.107 0.102 626 HG23 VAL 77 HG23 VAL 77 -5.355 -3.960 0.393 627 H ALA 78 H ALA 78 -2.087 -1.542 3.116 628 HA ALA 78 HA ALA 78 -3.162 -0.131 5.298 629 HB1 ALA 78 HB1 ALA 78 -0.825 0.265 5.973 630 HB2 ALA 78 HB2 ALA 78 -0.274 -0.208 4.361 631 HB3 ALA 78 HB3 ALA 78 -1.053 -1.392 5.409 632 H PHE 79 H PHE 79 -1.775 1.066 2.273 633 HA PHE 79 HA PHE 79 -1.409 3.784 3.059 634 HB2 PHE 79 HB2 PHE 79 -0.411 2.454 1.019 635 HB3 PHE 79 HB1 PHE 79 -1.871 2.946 0.180 636 HD1 PHE 79 HD1 PHE 79 -1.759 4.954 -1.054 637 HD2 PHE 79 HD2 PHE 79 0.878 4.407 2.268 638 HE1 PHE 79 HE1 PHE 79 -0.630 7.072 -1.589 639 HE2 PHE 79 HE2 PHE 79 1.992 6.524 1.732 640 HZ PHE 79 HZ PHE 79 1.242 7.859 -0.197 641 H LEU 80 H LEU 80 -4.024 2.147 1.196 642 HA LEU 80 HA LEU 80 -5.717 4.391 0.892 643 HB2 LEU 80 HB3 LEU 80 -6.422 1.435 1.023 644 HB3 LEU 80 HB2 LEU 80 -7.583 2.693 0.626 645 HG LEU 80 HG LEU 80 -5.202 1.786 -1.030 646 HD11 LEU 80 HD11 LEU 80 -6.929 1.285 -2.715 647 HD12 LEU 80 HD12 LEU 80 -8.187 1.809 -1.594 648 HD13 LEU 80 HD13 LEU 80 -7.197 0.397 -1.218 649 HD21 LEU 80 HD21 LEU 80 -5.244 4.224 -1.169 650 HD22 LEU 80 HD22 LEU 80 -6.969 4.208 -1.549 651 HD23 LEU 80 HD23 LEU 80 -5.804 3.522 -2.686 652 H GLU 81 H GLU 81 -5.634 1.863 3.428 653 HA GLU 81 HA GLU 81 -7.893 2.831 4.886 654 HB2 GLU 81 HB3 GLU 81 -5.613 1.027 5.783 655 HB3 GLU 81 HB2 GLU 81 -7.113 1.273 6.673 656 HG2 GLU 81 HG3 GLU 81 -8.380 0.299 4.791 657 HG3 GLU 81 HG2 GLU 81 -6.872 0.040 3.914 658 H SER 82 H SER 82 -4.418 3.616 5.092 659 HA SER 82 HA SER 82 -4.614 5.192 7.490 660 HB2 SER 82 HB3 SER 82 -2.410 6.131 6.914 661 HB3 SER 82 HB2 SER 82 -2.402 4.384 6.689 662 HG SER 82 HG SER 82 -2.218 4.638 4.585 663 H LEU 83 H LEU 83 -4.563 6.078 3.999 664 HA LEU 83 HA LEU 83 -5.041 8.843 4.331 665 HB2 LEU 83 HB3 LEU 83 -5.751 7.046 1.989 666 HB3 LEU 83 HB2 LEU 83 -5.795 8.804 1.937 667 HG LEU 83 HG LEU 83 -3.317 7.081 2.334 668 HD11 LEU 83 HD11 LEU 83 -4.156 8.782 -0.027 669 HD12 LEU 83 HD12 LEU 83 -4.115 7.017 0.047 670 HD13 LEU 83 HD13 LEU 83 -2.614 7.936 0.148 671 HD21 LEU 83 HD21 LEU 83 -2.009 9.159 2.245 672 HD22 LEU 83 HD22 LEU 83 -3.089 9.139 3.636 673 HD23 LEU 83 HD23 LEU 83 -3.498 10.112 2.220 674 H GLU 84 H GLU 84 -7.279 6.130 4.359 675 HA GLU 84 HA GLU 84 -9.744 7.453 4.060 676 HB2 GLU 84 HB3 GLU 84 -9.196 4.907 4.197 677 HB3 GLU 84 HB2 GLU 84 -9.320 5.093 5.938 678 HG2 GLU 84 HG3 GLU 84 -11.546 5.666 3.951 679 HG3 GLU 84 HG2 GLU 84 -11.362 4.159 4.837 680 H LEU 85 H LEU 85 -7.850 6.790 7.019 681 HA LEU 85 HA LEU 85 -9.626 8.214 8.795 682 HB2 LEU 85 HB3 LEU 85 -6.790 7.207 9.247 683 HB3 LEU 85 HB2 LEU 85 -7.868 7.791 10.506 684 HG LEU 85 HG LEU 85 -8.256 5.269 8.842 685 HD11 LEU 85 HD11 LEU 85 -6.474 5.037 10.498 686 HD12 LEU 85 HD12 LEU 85 -7.868 4.053 10.936 687 HD13 LEU 85 HD13 LEU 85 -7.562 5.573 11.782 688 HD21 LEU 85 HD21 LEU 85 -10.184 4.787 10.308 689 HD22 LEU 85 HD22 LEU 85 -10.435 6.239 9.344 690 HD23 LEU 85 HD23 LEU 85 -10.018 6.379 11.056 691 H TYR 86 H TYR 86 -6.289 8.837 7.645 692 HA TYR 86 HA TYR 86 -5.925 11.272 9.070 693 HB2 TYR 86 HB2 TYR 86 -4.320 9.914 6.869 694 HB3 TYR 86 HB1 TYR 86 -3.820 11.443 7.582 695 HD1 TYR 86 HD1 TYR 86 -2.475 11.429 9.540 696 HD2 TYR 86 HD2 TYR 86 -4.638 7.889 8.532 697 HE1 TYR 86 HE1 TYR 86 -1.300 10.207 11.314 698 HE2 TYR 86 HE2 TYR 86 -3.462 6.662 10.307 699 HH TYR 86 HH TYR 86 -1.673 8.176 12.733 700 H TYR 87 H TYR 87 -6.198 10.744 5.489 701 HA TYR 87 HA TYR 87 -7.014 13.602 5.186 702 HB2 TYR 87 HB2 TYR 87 -5.392 11.937 3.199 703 HB3 TYR 87 HB1 TYR 87 -5.853 13.622 2.998 704 HD1 TYR 87 HD1 TYR 87 -3.264 11.431 4.147 705 HD2 TYR 87 HD2 TYR 87 -4.947 15.306 4.821 706 HE1 TYR 87 HE1 TYR 87 -1.172 12.152 5.226 707 HE2 TYR 87 HE2 TYR 87 -2.852 16.020 5.893 708 HH TYR 87 HH TYR 87 0.023 14.422 5.632 709 HA PRO 88 HA PRO 88 -10.517 10.735 3.829 710 HB2 PRO 88 HB3 PRO 88 -12.577 12.534 4.372 711 HB3 PRO 88 HB2 PRO 88 -11.883 11.428 5.564 712 HG2 PRO 88 HG3 PRO 88 -11.234 14.335 5.071 713 HG3 PRO 88 HG2 PRO 88 -11.512 13.501 6.617 714 HD2 PRO 88 HD3 PRO 88 -9.018 14.034 5.787 715 HD3 PRO 88 HD2 PRO 88 -9.383 12.498 6.602 716 H GLN 89 H GLN 89 -10.506 14.229 3.060 717 HA GLN 89 HA GLN 89 -11.946 14.197 0.663 718 HB2 GLN 89 HB3 GLN 89 -10.808 16.397 0.202 719 HB3 GLN 89 HB2 GLN 89 -11.527 16.276 1.801 720 HG2 GLN 89 HG3 GLN 89 -9.178 15.663 2.640 721 HG3 GLN 89 HG2 GLN 89 -8.590 16.208 1.073 722 HE21 GLN 89 HE21 GLN 89 -8.741 18.454 0.573 723 HE22 GLN 89 HE22 GLN 89 -8.956 19.632 1.814 724 H LEU 90 H LEU 90 -8.446 13.834 1.190 725 HA LEU 90 HA LEU 90 -7.725 13.760 -1.572 726 HB2 LEU 90 HB3 LEU 90 -6.167 14.401 0.295 727 HB3 LEU 90 HB2 LEU 90 -6.146 12.717 0.802 728 HG LEU 90 HG LEU 90 -5.201 12.099 -1.460 729 HD11 LEU 90 HD11 LEU 90 -6.025 13.985 -2.756 730 HD12 LEU 90 HD12 LEU 90 -4.277 13.830 -2.890 731 HD13 LEU 90 HD13 LEU 90 -4.969 15.086 -1.861 732 HD21 LEU 90 HD21 LEU 90 -3.563 14.061 0.151 733 HD22 LEU 90 HD22 LEU 90 -2.932 12.892 -1.009 734 HD23 LEU 90 HD23 LEU 90 -3.726 12.332 0.460 735 H TYR 91 H TYR 91 -8.287 11.247 0.892 736 HA TYR 91 HA TYR 91 -7.702 8.938 -0.571 737 HB2 TYR 91 HB2 TYR 91 -8.142 8.781 1.803 738 HB3 TYR 91 HB1 TYR 91 -9.764 9.436 1.614 739 HD1 TYR 91 HD1 TYR 91 -11.572 7.918 1.546 740 HD2 TYR 91 HD2 TYR 91 -7.678 6.500 0.504 741 HE1 TYR 91 HE1 TYR 91 -12.469 5.645 1.315 742 HE2 TYR 91 HE2 TYR 91 -8.575 4.226 0.274 743 HH TYR 91 HH TYR 91 -11.878 3.544 0.104 744 H LYS 92 H LYS 92 -10.747 10.784 -0.350 745 HA LYS 92 HA LYS 92 -12.276 9.151 -2.096 746 HB2 LYS 92 HB3 LYS 92 -13.137 10.895 -0.436 747 HB3 LYS 92 HB2 LYS 92 -12.697 12.125 -1.613 748 HG2 LYS 92 HG3 LYS 92 -14.282 11.147 -3.237 749 HG3 LYS 92 HG2 LYS 92 -14.690 9.880 -2.077 750 HD2 LYS 92 HD3 LYS 92 -16.432 11.585 -2.044 751 HD3 LYS 92 HD2 LYS 92 -15.558 11.616 -0.510 752 HE2 LYS 92 HE3 LYS 92 -16.005 13.894 -1.316 753 HE3 LYS 92 HE2 LYS 92 -14.270 13.582 -1.286 754 HZ1 LYS 92 HZ1 LYS 92 -16.014 13.484 -3.692 755 HZ2 LYS 92 HZ2 LYS 92 -14.352 13.178 -3.675 756 HZ3 LYS 92 HZ3 LYS 92 -14.930 14.722 -3.303 757 H LYS 93 H LYS 93 -10.227 12.032 -2.720 758 HA LYS 93 HA LYS 93 -10.743 12.364 -5.482 759 HB2 LYS 93 HB3 LYS 93 -8.202 12.954 -3.913 760 HB3 LYS 93 HB2 LYS 93 -8.446 13.447 -5.587 761 HG2 LYS 93 HG3 LYS 93 -10.387 14.830 -4.864 762 HG3 LYS 93 HG2 LYS 93 -10.049 14.381 -3.187 763 HD2 LYS 93 HD3 LYS 93 -7.804 15.426 -3.360 764 HD3 LYS 93 HD2 LYS 93 -8.137 15.870 -5.038 765 HE2 LYS 93 HE3 LYS 93 -10.037 17.282 -4.239 766 HE3 LYS 93 HE2 LYS 93 -9.592 16.893 -2.575 767 HZ1 LYS 93 HZ1 LYS 93 -8.692 19.017 -3.264 768 HZ2 LYS 93 HZ2 LYS 93 -7.872 18.288 -4.549 769 HZ3 LYS 93 HZ3 LYS 93 -7.442 17.917 -2.958 770 H VAL 94 H VAL 94 -8.171 10.426 -3.894 771 HA VAL 94 HA VAL 94 -6.918 9.709 -6.382 772 HB VAL 94 HB VAL 94 -5.343 8.371 -5.057 773 HG11 VAL 94 HG11 VAL 94 -4.956 10.790 -5.222 774 HG12 VAL 94 HG12 VAL 94 -4.402 10.186 -3.661 775 HG13 VAL 94 HG13 VAL 94 -5.926 11.071 -3.771 776 HG21 VAL 94 HG21 VAL 94 -7.100 8.968 -2.631 777 HG22 VAL 94 HG22 VAL 94 -5.519 8.180 -2.585 778 HG23 VAL 94 HG23 VAL 94 -6.876 7.386 -3.385 779 H THR 95 H THR 95 -9.362 8.190 -4.391 780 HA THR 95 HA THR 95 -9.331 5.729 -6.033 781 HB THR 95 HB THR 95 -11.061 4.867 -4.481 782 HG1 THR 95 HG1 THR 95 -10.846 6.883 -2.622 783 HG21 THR 95 HG21 THR 95 -8.690 4.519 -3.843 784 HG22 THR 95 HG22 THR 95 -9.706 4.725 -2.417 785 HG23 THR 95 HG23 THR 95 -8.691 6.057 -2.971 786 H GLY 96 H GLY 96 -10.501 8.742 -6.438 787 HA2 GLY 96 HA3 GLY 96 -13.128 8.028 -7.588 788 HA3 GLY 96 HA2 GLY 96 -12.515 9.648 -7.283 789 H LYS 97 H LYS 97 -13.593 8.178 -9.731 790 HA LYS 97 HA LYS 97 -11.482 8.123 -11.685 791 HB2 LYS 97 HB3 LYS 97 -14.500 7.879 -11.861 792 HB3 LYS 97 HB2 LYS 97 -13.543 8.053 -13.324 793 HG2 LYS 97 HG3 LYS 97 -14.039 5.706 -12.909 794 HG3 LYS 97 HG2 LYS 97 -12.305 6.004 -12.799 795 HD2 LYS 97 HD3 LYS 97 -12.454 5.976 -10.329 796 HD3 LYS 97 HD2 LYS 97 -14.196 5.695 -10.435 797 HE2 LYS 97 HE3 LYS 97 -12.959 3.606 -9.990 798 HE3 LYS 97 HE2 LYS 97 -13.807 3.539 -11.532 799 HZ1 LYS 97 HZ1 LYS 97 -10.909 4.118 -11.205 800 HZ2 LYS 97 HZ2 LYS 97 -11.731 3.973 -12.674 801 HZ3 LYS 97 HZ3 LYS 97 -11.561 2.628 -11.662 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -15.742 0.328 -5.408 2 H2 MET 1 HT2 MET 1 -16.252 -1.178 -4.826 3 H3 MET 1 HT3 MET 1 -17.091 -0.432 -6.088 4 HA MET 1 HA MET 1 -15.707 -2.246 -6.855 5 HB2 MET 1 HB2 MET 1 -14.824 0.509 -7.812 6 HB3 MET 1 HB1 MET 1 -14.555 -0.996 -8.689 7 HG2 MET 1 HG2 MET 1 -17.238 0.264 -8.062 8 HG3 MET 1 HG1 MET 1 -16.446 0.187 -9.637 9 HE1 MET 1 HE1 MET 1 -18.620 -0.932 -10.797 10 HE2 MET 1 HE2 MET 1 -19.441 -0.742 -9.247 11 HE3 MET 1 HE3 MET 1 -19.480 -2.296 -10.079 12 H SER 2 H SER 2 -14.188 -3.435 -5.853 13 HA SER 2 HA SER 2 -11.534 -2.241 -5.228 14 HB2 SER 2 HB3 SER 2 -12.859 -2.554 -3.132 15 HB3 SER 2 HB2 SER 2 -13.034 -4.272 -3.497 16 HG SER 2 HG SER 2 -10.778 -4.484 -3.297 17 H ASP 3 H ASP 3 -12.680 -3.887 -7.487 18 HA ASP 3 HA ASP 3 -11.341 -6.480 -7.327 19 HB2 ASP 3 HB3 ASP 3 -12.457 -6.870 -9.543 20 HB3 ASP 3 HB2 ASP 3 -13.582 -6.430 -8.267 21 H TYR 4 H TYR 4 -9.426 -4.528 -7.155 22 HA TYR 4 HA TYR 4 -8.273 -3.618 -9.578 23 HB2 TYR 4 HB2 TYR 4 -7.035 -4.015 -6.821 24 HB3 TYR 4 HB1 TYR 4 -6.211 -3.219 -8.158 25 HD1 TYR 4 HD1 TYR 4 -8.536 -2.751 -5.418 26 HD2 TYR 4 HD2 TYR 4 -7.279 -1.091 -9.154 27 HE1 TYR 4 HE1 TYR 4 -9.556 -0.596 -4.808 28 HE2 TYR 4 HE2 TYR 4 -8.296 1.061 -8.537 29 HH TYR 4 HH TYR 4 -9.229 1.837 -5.413 30 H GLU 5 H GLU 5 -7.054 -4.585 -11.060 31 HA GLU 5 HA GLU 5 -6.670 -7.365 -11.232 32 HB2 GLU 5 HB3 GLU 5 -5.287 -5.132 -12.781 33 HB3 GLU 5 HB2 GLU 5 -5.275 -6.835 -13.242 34 HG2 GLU 5 HG3 GLU 5 -7.699 -6.786 -13.603 35 HG3 GLU 5 HG2 GLU 5 -7.765 -5.107 -13.053 36 H ASN 6 H ASN 6 -4.074 -4.871 -11.005 37 HA ASN 6 HA ASN 6 -2.374 -6.774 -9.517 38 HB2 ASN 6 HB3 ASN 6 -1.818 -6.944 -11.939 39 HB3 ASN 6 HB2 ASN 6 -1.471 -5.220 -11.983 40 HD21 ASN 6 HD21 ASN 6 0.497 -4.507 -11.186 41 HD22 ASN 6 HD22 ASN 6 1.751 -5.560 -10.668 42 H ASP 7 H ASP 7 -1.254 -5.879 -7.912 43 HA ASP 7 HA ASP 7 -2.172 -3.453 -6.833 44 HB2 ASP 7 HB3 ASP 7 -0.457 -3.976 -5.000 45 HB3 ASP 7 HB2 ASP 7 -1.673 -5.205 -5.322 46 H ASP 8 H ASP 8 1.208 -4.217 -7.924 47 HA ASP 8 HA ASP 8 2.193 -1.565 -7.512 48 HB2 ASP 8 HB3 ASP 8 4.188 -2.340 -8.834 49 HB3 ASP 8 HB2 ASP 8 3.767 -3.384 -7.484 50 H GLU 9 H GLU 9 0.573 -3.066 -10.220 51 HA GLU 9 HA GLU 9 0.948 -0.978 -12.147 52 HB2 GLU 9 HB3 GLU 9 0.277 -3.174 -12.885 53 HB3 GLU 9 HB2 GLU 9 -1.133 -3.176 -11.842 54 HG2 GLU 9 HG3 GLU 9 -0.968 -1.117 -14.029 55 HG3 GLU 9 HG2 GLU 9 -1.318 -2.781 -14.473 56 H CYS 10 H CYS 10 -1.422 -1.559 -9.576 57 HA CYS 10 HA CYS 10 -3.075 0.725 -10.123 58 HB2 CYS 10 HB3 CYS 10 -2.826 -0.986 -7.623 59 HB3 CYS 10 HB2 CYS 10 -4.077 0.229 -7.890 60 HG CYS 10 HG CYS 10 -3.821 -2.081 -10.312 61 H TRP 11 H TRP 11 -0.144 0.240 -8.196 62 HA TRP 11 HA TRP 11 -0.039 2.787 -6.925 63 HB2 TRP 11 HB2 TRP 11 2.067 0.744 -7.674 64 HB3 TRP 11 HB1 TRP 11 2.571 2.325 -7.089 65 HD1 TRP 11 HD1 TRP 11 1.412 -1.025 -5.813 66 HE1 TRP 11 HE1 TRP 11 1.218 -0.924 -3.252 67 HE3 TRP 11 HE3 TRP 11 1.787 4.037 -5.152 68 HZ2 TRP 11 HZ2 TRP 11 1.215 1.025 -1.230 69 HZ3 TRP 11 HZ3 TRP 11 1.667 4.936 -2.865 70 HH2 TRP 11 HH2 TRP 11 1.387 3.457 -0.945 71 H SER 12 H SER 12 1.014 1.674 -10.128 72 HA SER 12 HA SER 12 2.160 4.089 -11.072 73 HB2 SER 12 HB3 SER 12 2.503 1.929 -12.223 74 HB3 SER 12 HB2 SER 12 0.802 1.882 -12.678 75 HG SER 12 HG SER 12 1.127 3.447 -14.137 76 H VAL 13 H VAL 13 -1.193 3.132 -10.722 77 HA VAL 13 HA VAL 13 -2.364 5.278 -12.266 78 HB VAL 13 HB VAL 13 -3.650 3.632 -10.031 79 HG11 VAL 13 HG11 VAL 13 -5.811 4.255 -11.082 80 HG12 VAL 13 HG12 VAL 13 -4.957 5.271 -12.244 81 HG13 VAL 13 HG13 VAL 13 -4.929 5.680 -10.528 82 HG21 VAL 13 HG21 VAL 13 -4.575 2.199 -11.833 83 HG22 VAL 13 HG22 VAL 13 -2.814 2.138 -11.783 84 HG23 VAL 13 HG23 VAL 13 -3.627 3.092 -13.027 85 H LEU 14 H LEU 14 -1.624 4.752 -8.788 86 HA LEU 14 HA LEU 14 -2.647 7.218 -7.808 87 HB2 LEU 14 HB3 LEU 14 -0.398 5.561 -6.611 88 HB3 LEU 14 HB2 LEU 14 -1.279 6.838 -5.785 89 HG LEU 14 HG LEU 14 -2.272 4.078 -6.566 90 HD11 LEU 14 HD11 LEU 14 -2.117 5.476 -3.875 91 HD12 LEU 14 HD12 LEU 14 -1.039 4.210 -4.469 92 HD13 LEU 14 HD13 LEU 14 -2.734 3.846 -4.169 93 HD21 LEU 14 HD21 LEU 14 -4.077 5.591 -7.178 94 HD22 LEU 14 HD22 LEU 14 -4.007 6.383 -5.603 95 HD23 LEU 14 HD23 LEU 14 -4.515 4.695 -5.726 96 H GLU 15 H GLU 15 0.370 6.439 -9.386 97 HA GLU 15 HA GLU 15 1.987 8.611 -8.675 98 HB2 GLU 15 HB3 GLU 15 2.655 6.532 -9.999 99 HB3 GLU 15 HB2 GLU 15 1.950 7.288 -11.417 100 HG2 GLU 15 HG3 GLU 15 4.227 7.757 -11.638 101 HG3 GLU 15 HG2 GLU 15 3.577 9.247 -10.967 102 H GLY 16 H GLY 16 -0.693 8.470 -10.968 103 HA2 GLY 16 HA3 GLY 16 -0.427 10.899 -12.345 104 HA3 GLY 16 HA2 GLY 16 -1.949 10.107 -11.973 105 H PHE 17 H PHE 17 -1.388 10.312 -9.041 106 HA PHE 17 HA PHE 17 -2.241 13.100 -8.572 107 HB2 PHE 17 HB2 PHE 17 -2.297 10.707 -6.677 108 HB3 PHE 17 HB1 PHE 17 -3.048 12.271 -6.398 109 HD1 PHE 17 HD1 PHE 17 -3.392 9.018 -8.057 110 HD2 PHE 17 HD2 PHE 17 -5.108 12.914 -7.631 111 HE1 PHE 17 HE1 PHE 17 -5.508 8.199 -9.027 112 HE2 PHE 17 HE2 PHE 17 -7.210 12.084 -8.598 113 HZ PHE 17 HZ PHE 17 -7.415 9.737 -9.295 114 H ARG 18 H ARG 18 0.716 11.836 -8.794 115 HA ARG 18 HA ARG 18 1.885 11.593 -6.294 116 HB2 ARG 18 HB3 ARG 18 4.029 11.652 -7.359 117 HB3 ARG 18 HB2 ARG 18 2.893 10.902 -8.479 118 HG2 ARG 18 HG3 ARG 18 2.691 13.279 -9.533 119 HG3 ARG 18 HG2 ARG 18 4.155 13.650 -8.629 120 HD2 ARG 18 HD3 ARG 18 3.795 11.620 -10.844 121 HD3 ARG 18 HD2 ARG 18 4.861 13.027 -10.820 122 HE ARG 18 HE ARG 18 5.337 10.868 -8.882 123 HH11 ARG 18 HH11 ARG 18 6.448 12.528 -11.697 124 HH12 ARG 18 HH12 ARG 18 7.920 11.632 -11.764 125 HH21 ARG 18 HH21 ARG 18 7.187 9.726 -9.015 126 HH22 ARG 18 HH22 ARG 18 8.336 10.069 -10.255 127 H VAL 19 H VAL 19 1.481 14.649 -8.094 128 HA VAL 19 HA VAL 19 3.191 16.298 -6.565 129 HB VAL 19 HB VAL 19 2.212 16.953 -8.777 130 HG11 VAL 19 HG11 VAL 19 -0.383 17.438 -7.269 131 HG12 VAL 19 HG12 VAL 19 -0.103 16.184 -8.478 132 HG13 VAL 19 HG13 VAL 19 -0.068 17.884 -8.950 133 HG21 VAL 19 HG21 VAL 19 3.230 18.697 -7.383 134 HG22 VAL 19 HG22 VAL 19 1.693 18.976 -6.566 135 HG23 VAL 19 HG23 VAL 19 1.861 19.361 -8.279 136 H THR 20 H THR 20 -0.126 15.294 -6.071 137 HA THR 20 HA THR 20 -0.642 16.903 -3.721 138 HB THR 20 HB THR 20 -2.263 14.575 -4.849 139 HG1 THR 20 HG1 THR 20 -1.938 17.196 -5.723 140 HG21 THR 20 HG21 THR 20 -4.187 15.717 -3.759 141 HG22 THR 20 HG22 THR 20 -3.077 16.898 -3.054 142 HG23 THR 20 HG23 THR 20 -2.978 15.197 -2.584 143 H LEU 21 H LEU 21 0.181 13.497 -4.441 144 HA LEU 21 HA LEU 21 -0.229 12.430 -1.839 145 HB2 LEU 21 HB3 LEU 21 1.742 11.392 -3.913 146 HB3 LEU 21 HB2 LEU 21 1.099 10.495 -2.546 147 HG LEU 21 HG LEU 21 -0.351 11.319 -5.082 148 HD11 LEU 21 HD11 LEU 21 0.991 9.296 -5.249 149 HD12 LEU 21 HD12 LEU 21 -0.724 8.918 -5.361 150 HD13 LEU 21 HD13 LEU 21 0.152 8.592 -3.861 151 HD21 LEU 21 HD21 LEU 21 -2.425 10.367 -4.193 152 HD22 LEU 21 HD22 LEU 21 -1.905 11.743 -3.227 153 HD23 LEU 21 HD23 LEU 21 -1.657 10.103 -2.626 154 H THR 22 H THR 22 2.656 13.809 -3.394 155 HA THR 22 HA THR 22 4.465 13.201 -1.242 156 HB THR 22 HB THR 22 6.106 14.575 -2.508 157 HG1 THR 22 HG1 THR 22 4.475 14.953 -4.705 158 HG21 THR 22 HG21 THR 22 4.527 12.655 -4.268 159 HG22 THR 22 HG22 THR 22 5.804 12.200 -3.137 160 HG23 THR 22 HG23 THR 22 6.189 13.185 -4.549 161 H SER 23 H SER 23 2.309 15.836 -1.805 162 HA SER 23 HA SER 23 3.697 17.662 0.044 163 HB2 SER 23 HB3 SER 23 1.272 18.082 -1.753 164 HB3 SER 23 HB2 SER 23 1.969 19.326 -0.711 165 HG SER 23 HG SER 23 2.783 18.468 -3.156 166 H VAL 24 H VAL 24 0.386 16.309 -0.355 167 HA VAL 24 HA VAL 24 -0.561 17.221 2.198 168 HB VAL 24 HB VAL 24 -1.840 15.171 0.334 169 HG11 VAL 24 HG11 VAL 24 -3.967 15.716 1.499 170 HG12 VAL 24 HG12 VAL 24 -3.082 16.755 2.618 171 HG13 VAL 24 HG13 VAL 24 -2.777 15.018 2.602 172 HG21 VAL 24 HG21 VAL 24 -3.222 17.045 -0.508 173 HG22 VAL 24 HG22 VAL 24 -1.504 17.312 -0.818 174 HG23 VAL 24 HG23 VAL 24 -2.306 18.171 0.499 175 H ILE 25 H ILE 25 0.234 13.969 0.895 176 HA ILE 25 HA ILE 25 -0.224 12.689 3.467 177 HB ILE 25 HB ILE 25 0.956 11.412 0.962 178 HG12 ILE 25 HG12 ILE 25 -1.972 11.407 1.803 179 HG13 ILE 25 HG11 ILE 25 -1.311 12.492 0.580 180 HG21 ILE 25 HG21 ILE 25 1.337 10.098 3.013 181 HG22 ILE 25 HG22 ILE 25 0.186 9.283 1.955 182 HG23 ILE 25 HG23 ILE 25 -0.391 10.148 3.380 183 HD11 ILE 25 HD11 ILE 25 -1.348 9.483 0.440 184 HD12 ILE 25 HD12 ILE 25 -0.685 10.570 -0.784 185 HD13 ILE 25 HD13 ILE 25 -2.408 10.597 -0.421 186 H ASP 26 H ASP 26 1.305 13.668 4.783 187 HA ASP 26 HA ASP 26 4.142 13.391 4.394 188 HB2 ASP 26 HB3 ASP 26 2.707 13.759 7.063 189 HB3 ASP 26 HB2 ASP 26 4.349 14.237 6.645 190 HA PRO 27 HA PRO 27 4.159 8.950 5.610 191 HB2 PRO 27 HB3 PRO 27 7.093 9.280 5.891 192 HB3 PRO 27 HB2 PRO 27 6.186 8.210 4.821 193 HG2 PRO 27 HG3 PRO 27 7.550 10.435 3.972 194 HG3 PRO 27 HG2 PRO 27 6.160 9.743 3.106 195 HD2 PRO 27 HD3 PRO 27 6.328 12.187 4.813 196 HD3 PRO 27 HD2 PRO 27 5.264 11.844 3.434 197 H SER 28 H SER 28 5.965 11.545 7.139 198 HA SER 28 HA SER 28 6.459 10.489 9.689 199 HB2 SER 28 HB3 SER 28 6.828 12.858 10.332 200 HB3 SER 28 HB2 SER 28 7.551 12.510 8.756 201 HG SER 28 HG SER 28 5.403 14.154 9.409 202 H ARG 29 H ARG 29 3.595 12.101 8.362 203 HA ARG 29 HA ARG 29 2.050 12.370 10.738 204 HB2 ARG 29 HB3 ARG 29 1.479 13.595 8.697 205 HB3 ARG 29 HB2 ARG 29 1.251 12.102 7.805 206 HG2 ARG 29 HG3 ARG 29 -0.904 13.094 8.285 207 HG3 ARG 29 HG2 ARG 29 -0.745 11.590 9.193 208 HD2 ARG 29 HD3 ARG 29 -0.212 12.862 11.232 209 HD3 ARG 29 HD2 ARG 29 -0.324 14.378 10.330 210 HE ARG 29 HE ARG 29 -2.737 13.533 9.876 211 HH11 ARG 29 HH11 ARG 29 -1.054 13.110 12.879 212 HH12 ARG 29 HH12 ARG 29 -2.511 13.138 13.805 213 HH21 ARG 29 HH21 ARG 29 -4.571 13.554 11.081 214 HH22 ARG 29 HH22 ARG 29 -4.475 13.393 12.800 215 H ILE 30 H ILE 30 2.388 9.738 8.372 216 HA ILE 30 HA ILE 30 0.508 8.037 9.901 217 HB ILE 30 HB ILE 30 0.317 6.657 7.811 218 HG12 ILE 30 HG12 ILE 30 1.881 8.939 6.499 219 HG13 ILE 30 HG11 ILE 30 2.497 7.311 6.756 220 HG21 ILE 30 HG21 ILE 30 -1.158 8.227 6.599 221 HG22 ILE 30 HG22 ILE 30 -0.467 9.582 7.492 222 HG23 ILE 30 HG23 ILE 30 -1.390 8.344 8.346 223 HD11 ILE 30 HD11 ILE 30 0.204 8.088 4.955 224 HD12 ILE 30 HD12 ILE 30 0.780 6.441 5.228 225 HD13 ILE 30 HD13 ILE 30 1.832 7.627 4.460 226 H THR 31 H THR 31 3.624 8.440 10.256 227 HA THR 31 HA THR 31 4.946 6.059 9.661 228 HB THR 31 HB THR 31 6.355 6.657 11.896 229 HG1 THR 31 HG1 THR 31 5.881 8.496 12.771 230 HG21 THR 31 HG21 THR 31 6.451 8.381 9.402 231 HG22 THR 31 HG22 THR 31 7.261 6.829 9.610 232 HG23 THR 31 HG23 THR 31 7.745 8.213 10.592 233 HA PRO 32 HA PRO 32 3.735 4.064 13.968 234 HB2 PRO 32 HB3 PRO 32 1.427 4.965 15.213 235 HB3 PRO 32 HB2 PRO 32 3.054 5.519 15.618 236 HG2 PRO 32 HG3 PRO 32 0.980 6.836 13.893 237 HG3 PRO 32 HG2 PRO 32 2.089 7.566 15.068 238 HD2 PRO 32 HD3 PRO 32 2.537 7.669 12.386 239 HD3 PRO 32 HD2 PRO 32 3.860 7.613 13.569 240 H TYR 33 H TYR 33 1.215 5.182 11.729 241 HA TYR 33 HA TYR 33 -0.443 2.838 12.027 242 HB2 TYR 33 HB2 TYR 33 -1.301 5.133 11.277 243 HB3 TYR 33 HB1 TYR 33 -0.574 4.803 9.706 244 HD1 TYR 33 HD1 TYR 33 -1.650 3.269 8.147 245 HD2 TYR 33 HD2 TYR 33 -3.137 3.644 12.131 246 HE1 TYR 33 HE1 TYR 33 -3.621 1.932 7.541 247 HE2 TYR 33 HE2 TYR 33 -5.113 2.325 11.521 248 HH TYR 33 HH TYR 33 -5.313 0.544 8.627 249 H LEU 34 H LEU 34 2.008 3.912 9.680 250 HA LEU 34 HA LEU 34 1.798 1.680 7.910 251 HB2 LEU 34 HB3 LEU 34 4.096 3.607 8.361 252 HB3 LEU 34 HB2 LEU 34 4.053 2.415 7.074 253 HG LEU 34 HG LEU 34 2.232 4.836 7.357 254 HD11 LEU 34 HD11 LEU 34 3.353 5.638 5.318 255 HD12 LEU 34 HD12 LEU 34 4.407 4.221 5.327 256 HD13 LEU 34 HD13 LEU 34 4.497 5.400 6.638 257 HD21 LEU 34 HD21 LEU 34 0.930 3.006 6.397 258 HD22 LEU 34 HD22 LEU 34 2.185 2.697 5.196 259 HD23 LEU 34 HD23 LEU 34 1.279 4.213 5.157 260 H ARG 35 H ARG 35 3.741 2.339 10.812 261 HA ARG 35 HA ARG 35 5.182 -0.108 10.921 262 HB2 ARG 35 HB3 ARG 35 4.308 1.863 13.060 263 HB3 ARG 35 HB2 ARG 35 5.152 0.378 13.490 264 HG2 ARG 35 HG3 ARG 35 6.226 2.574 11.693 265 HG3 ARG 35 HG2 ARG 35 6.705 2.260 13.364 266 HD2 ARG 35 HD3 ARG 35 7.343 -0.118 12.509 267 HD3 ARG 35 HD2 ARG 35 7.266 0.598 10.894 268 HE ARG 35 HE ARG 35 8.911 2.299 12.182 269 HH11 ARG 35 HH11 ARG 35 8.971 -1.164 11.922 270 HH12 ARG 35 HH12 ARG 35 10.672 -1.253 12.213 271 HH21 ARG 35 HH21 ARG 35 11.068 2.144 12.573 272 HH22 ARG 35 HH22 ARG 35 11.847 0.598 12.580 273 H GLN 36 H GLN 36 1.995 0.805 12.291 274 HA GLN 36 HA GLN 36 1.271 -1.551 13.582 275 HB2 GLN 36 HB3 GLN 36 -0.090 0.431 13.835 276 HB3 GLN 36 HB2 GLN 36 -0.441 0.493 12.116 277 HG2 GLN 36 HG3 GLN 36 -2.396 -0.247 13.391 278 HG3 GLN 36 HG2 GLN 36 -1.843 -1.511 12.296 279 HE21 GLN 36 HE21 GLN 36 -2.809 -3.172 13.465 280 HE22 GLN 36 HE22 GLN 36 -2.264 -3.669 15.022 281 H CYS 37 H CYS 37 0.740 -0.714 10.148 282 HA CYS 37 HA CYS 37 -0.275 -3.366 9.481 283 HB2 CYS 37 HB3 CYS 37 -0.485 -2.405 7.175 284 HB3 CYS 37 HB2 CYS 37 -1.318 -1.461 8.406 285 HG CYS 37 HG CYS 37 -0.101 0.759 8.003 286 H LYS 38 H LYS 38 2.792 -2.337 10.044 287 HA LYS 38 HA LYS 38 4.809 -3.315 9.809 288 HB2 LYS 38 HB3 LYS 38 3.176 -5.582 8.615 289 HB3 LYS 38 HB2 LYS 38 4.898 -5.710 8.962 290 HG2 LYS 38 HG3 LYS 38 2.754 -5.133 11.040 291 HG3 LYS 38 HG2 LYS 38 3.452 -6.725 10.715 292 HD2 LYS 38 HD3 LYS 38 5.710 -5.809 11.331 293 HD3 LYS 38 HD2 LYS 38 4.940 -4.272 11.749 294 HE2 LYS 38 HE3 LYS 38 5.354 -5.644 13.750 295 HE3 LYS 38 HE2 LYS 38 3.627 -5.394 13.500 296 HZ1 LYS 38 HZ1 LYS 38 4.115 -7.672 14.113 297 HZ2 LYS 38 HZ2 LYS 38 5.144 -7.845 12.782 298 HZ3 LYS 38 HZ3 LYS 38 3.488 -7.611 12.545 299 H VAL 39 H VAL 39 3.456 -1.909 7.272 300 HA VAL 39 HA VAL 39 5.056 -2.965 5.088 301 HB VAL 39 HB VAL 39 4.051 -1.182 3.700 302 HG11 VAL 39 HG11 VAL 39 1.700 -1.934 3.828 303 HG12 VAL 39 HG12 VAL 39 2.011 -2.653 5.408 304 HG13 VAL 39 HG13 VAL 39 2.825 -3.287 3.975 305 HG21 VAL 39 HG21 VAL 39 2.349 0.367 4.630 306 HG22 VAL 39 HG22 VAL 39 3.934 0.640 5.355 307 HG23 VAL 39 HG23 VAL 39 2.694 -0.230 6.258 308 H LEU 40 H LEU 40 5.499 -0.529 7.501 309 HA LEU 40 HA LEU 40 7.531 0.955 5.977 310 HB2 LEU 40 HB3 LEU 40 5.735 2.100 7.362 311 HB3 LEU 40 HB2 LEU 40 6.542 1.496 8.795 312 HG LEU 40 HG LEU 40 8.600 2.788 8.110 313 HD11 LEU 40 HD11 LEU 40 8.191 2.958 5.705 314 HD12 LEU 40 HD12 LEU 40 8.397 4.557 6.413 315 HD13 LEU 40 HD13 LEU 40 6.780 3.982 5.992 316 HD21 LEU 40 HD21 LEU 40 7.745 4.991 8.793 317 HD22 LEU 40 HD22 LEU 40 7.063 3.703 9.785 318 HD23 LEU 40 HD23 LEU 40 6.089 4.446 8.513 319 H ASN 41 H ASN 41 9.617 0.560 6.185 320 HA ASN 41 HA ASN 41 10.694 -1.094 8.378 321 HB2 ASN 41 HB3 ASN 41 11.961 -0.199 5.741 322 HB3 ASN 41 HB2 ASN 41 12.694 -1.305 6.905 323 HD21 ASN 41 HD21 ASN 41 10.102 -0.903 4.574 324 HD22 ASN 41 HD22 ASN 41 9.753 -2.583 4.385 325 HA PRO 42 HA PRO 42 12.727 2.335 10.506 326 HB2 PRO 42 HB3 PRO 42 15.304 1.314 10.919 327 HB3 PRO 42 HB2 PRO 42 13.900 0.941 11.927 328 HG2 PRO 42 HG3 PRO 42 15.053 -0.630 9.617 329 HG3 PRO 42 HG2 PRO 42 14.512 -1.216 11.208 330 HD2 PRO 42 HD3 PRO 42 12.933 -1.508 9.081 331 HD3 PRO 42 HD2 PRO 42 12.226 -1.015 10.639 332 H ASP 43 H ASP 43 14.471 0.911 7.782 333 HA ASP 43 HA ASP 43 16.288 2.986 7.170 334 HB2 ASP 43 HB3 ASP 43 14.991 0.993 5.258 335 HB3 ASP 43 HB2 ASP 43 16.502 1.863 4.990 336 H ASP 44 H ASP 44 12.918 2.494 6.287 337 HA ASP 44 HA ASP 44 12.738 4.694 4.395 338 HB2 ASP 44 HB3 ASP 44 10.423 3.222 5.720 339 HB3 ASP 44 HB2 ASP 44 10.411 4.058 4.172 340 H GLU 45 H GLU 45 11.712 3.975 7.683 341 HA GLU 45 HA GLU 45 10.109 6.231 8.186 342 HB2 GLU 45 HB3 GLU 45 9.896 4.145 9.437 343 HB3 GLU 45 HB2 GLU 45 11.526 4.319 10.076 344 HG2 GLU 45 HG3 GLU 45 10.850 6.245 11.402 345 HG3 GLU 45 HG2 GLU 45 9.247 6.230 10.669 346 H GLU 46 H GLU 46 13.403 5.502 9.442 347 HA GLU 46 HA GLU 46 13.875 7.954 10.744 348 HB2 GLU 46 HB3 GLU 46 15.167 5.849 11.122 349 HB3 GLU 46 HB2 GLU 46 15.915 6.036 9.539 350 HG2 GLU 46 HG3 GLU 46 16.925 8.194 10.334 351 HG3 GLU 46 HG2 GLU 46 16.256 7.874 11.934 352 H GLN 47 H GLN 47 14.518 6.915 7.439 353 HA GLN 47 HA GLN 47 16.027 8.980 6.358 354 HB2 GLN 47 HB3 GLN 47 15.457 6.878 5.187 355 HB3 GLN 47 HB2 GLN 47 13.776 7.378 5.072 356 HG2 GLN 47 HG3 GLN 47 14.479 9.268 3.606 357 HG3 GLN 47 HG2 GLN 47 16.134 8.672 3.670 358 HE21 GLN 47 HE21 GLN 47 15.248 5.821 3.541 359 HE22 GLN 47 HE22 GLN 47 14.773 5.572 1.904 360 H VAL 48 H VAL 48 12.463 8.741 6.494 361 HA VAL 48 HA VAL 48 11.895 11.350 5.480 362 HB VAL 48 HB VAL 48 10.184 9.415 7.101 363 HG11 VAL 48 HG11 VAL 48 9.281 11.670 7.440 364 HG12 VAL 48 HG12 VAL 48 8.208 10.753 6.385 365 HG13 VAL 48 HG13 VAL 48 9.289 11.967 5.699 366 HG21 VAL 48 HG21 VAL 48 10.858 8.559 4.888 367 HG22 VAL 48 HG22 VAL 48 10.233 10.017 4.111 368 HG23 VAL 48 HG23 VAL 48 9.126 8.903 4.914 369 H LEU 49 H LEU 49 12.116 10.055 8.806 370 HA LEU 49 HA LEU 49 11.259 12.462 10.119 371 HB2 LEU 49 HB3 LEU 49 12.618 9.976 11.214 372 HB3 LEU 49 HB2 LEU 49 11.974 11.271 12.218 373 HG LEU 49 HG LEU 49 10.329 9.493 10.367 374 HD11 LEU 49 HD11 LEU 49 9.400 8.517 12.411 375 HD12 LEU 49 HD12 LEU 49 10.492 9.499 13.392 376 HD13 LEU 49 HD13 LEU 49 11.143 8.266 12.309 377 HD21 LEU 49 HD21 LEU 49 9.391 11.653 12.291 378 HD22 LEU 49 HD22 LEU 49 8.349 10.553 11.382 379 HD23 LEU 49 HD23 LEU 49 9.339 11.731 10.527 380 H SER 50 H SER 50 14.308 11.523 8.832 381 HA SER 50 HA SER 50 16.064 13.114 10.398 382 HB2 SER 50 HB3 SER 50 16.861 11.424 8.761 383 HB3 SER 50 HB2 SER 50 16.274 12.421 7.430 384 HG SER 50 HG SER 50 18.631 12.531 8.623 385 H ASP 51 H ASP 51 13.819 13.943 7.834 386 HA ASP 51 HA ASP 51 13.952 16.767 8.502 387 HB2 ASP 51 HB3 ASP 51 14.238 17.463 6.072 388 HB3 ASP 51 HB2 ASP 51 15.671 16.777 6.821 389 HA PRO 52 HA PRO 52 9.964 14.482 7.802 390 HB2 PRO 52 HB3 PRO 52 8.502 15.442 9.889 391 HB3 PRO 52 HB2 PRO 52 9.819 14.279 10.112 392 HG2 PRO 52 HG3 PRO 52 9.894 17.292 10.401 393 HG3 PRO 52 HG2 PRO 52 10.468 16.054 11.545 394 HD2 PRO 52 HD3 PRO 52 12.171 17.307 9.853 395 HD3 PRO 52 HD2 PRO 52 12.392 15.596 10.283 396 H ASN 53 H ASN 53 10.414 17.828 7.326 397 HA ASN 53 HA ASN 53 7.777 18.118 6.020 398 HB2 ASN 53 HB3 ASN 53 7.558 20.436 7.030 399 HB3 ASN 53 HB2 ASN 53 7.390 19.120 8.181 400 HD21 ASN 53 HD21 ASN 53 9.002 18.790 9.725 401 HD22 ASN 53 HD22 ASN 53 10.206 19.979 10.070 402 H LEU 54 H LEU 54 10.920 18.116 5.414 403 HA LEU 54 HA LEU 54 11.320 20.705 4.160 404 HB2 LEU 54 HB3 LEU 54 13.015 18.224 4.488 405 HB3 LEU 54 HB2 LEU 54 13.514 19.475 3.368 406 HG LEU 54 HG LEU 54 14.674 19.697 5.528 407 HD11 LEU 54 HD11 LEU 54 14.293 21.716 4.214 408 HD12 LEU 54 HD12 LEU 54 14.287 22.066 5.938 409 HD13 LEU 54 HD13 LEU 54 12.762 21.998 5.049 410 HD21 LEU 54 HD21 LEU 54 13.521 20.329 7.592 411 HD22 LEU 54 HD22 LEU 54 12.968 18.756 7.026 412 HD23 LEU 54 HD23 LEU 54 11.953 20.179 6.789 413 H VAL 55 H VAL 55 12.425 20.607 1.834 414 HA VAL 55 HA VAL 55 10.317 19.890 0.028 415 HB VAL 55 HB VAL 55 11.684 21.932 -0.294 416 HG11 VAL 55 HG11 VAL 55 13.975 20.088 -1.058 417 HG12 VAL 55 HG12 VAL 55 13.895 21.107 0.379 418 HG13 VAL 55 HG13 VAL 55 13.971 21.847 -1.221 419 HG21 VAL 55 HG21 VAL 55 11.937 21.788 -2.757 420 HG22 VAL 55 HG22 VAL 55 10.438 21.034 -2.214 421 HG23 VAL 55 HG23 VAL 55 11.815 20.028 -2.666 422 H ILE 56 H ILE 56 13.508 18.471 0.725 423 HA ILE 56 HA ILE 56 13.488 16.537 -1.397 424 HB ILE 56 HB ILE 56 15.066 16.415 1.214 425 HG12 ILE 56 HG12 ILE 56 15.530 18.542 0.050 426 HG13 ILE 56 HG11 ILE 56 16.935 17.488 -0.043 427 HG21 ILE 56 HG21 ILE 56 15.052 14.249 0.056 428 HG22 ILE 56 HG22 ILE 56 16.656 14.975 -0.033 429 HG23 ILE 56 HG23 ILE 56 15.592 15.015 -1.441 430 HD11 ILE 56 HD11 ILE 56 14.945 17.994 -2.261 431 HD12 ILE 56 HD12 ILE 56 16.351 16.929 -2.362 432 HD13 ILE 56 HD13 ILE 56 16.571 18.662 -2.127 433 H ARG 57 H ARG 57 12.222 16.606 1.881 434 HA ARG 57 HA ARG 57 11.482 13.981 2.369 435 HB2 ARG 57 HB3 ARG 57 11.124 16.166 3.778 436 HB3 ARG 57 HB2 ARG 57 9.600 16.303 2.924 437 HG2 ARG 57 HG3 ARG 57 10.420 13.996 4.719 438 HG3 ARG 57 HG2 ARG 57 9.375 15.332 5.184 439 HD2 ARG 57 HD3 ARG 57 8.788 13.129 3.192 440 HD3 ARG 57 HD2 ARG 57 7.999 13.414 4.742 441 HE ARG 57 HE ARG 57 7.509 14.773 2.216 442 HH11 ARG 57 HH11 ARG 57 7.011 15.007 5.632 443 HH12 ARG 57 HH12 ARG 57 5.498 15.818 5.450 444 HH21 ARG 57 HH21 ARG 57 5.558 15.817 2.036 445 HH22 ARG 57 HH22 ARG 57 4.694 16.266 3.469 446 H LYS 58 H LYS 58 9.732 16.441 0.429 447 HA LYS 58 HA LYS 58 7.497 14.984 -0.402 448 HB2 LYS 58 HB3 LYS 58 9.045 17.085 -1.975 449 HB3 LYS 58 HB2 LYS 58 7.424 16.522 -2.378 450 HG2 LYS 58 HG3 LYS 58 6.545 17.450 -0.291 451 HG3 LYS 58 HG2 LYS 58 8.170 17.951 0.199 452 HD2 LYS 58 HD3 LYS 58 8.294 19.493 -1.717 453 HD3 LYS 58 HD2 LYS 58 6.712 18.955 -2.282 454 HE2 LYS 58 HE3 LYS 58 7.226 20.385 0.352 455 HE3 LYS 58 HE2 LYS 58 6.624 21.147 -1.121 456 HZ1 LYS 58 HZ1 LYS 58 5.249 19.015 0.429 457 HZ2 LYS 58 HZ2 LYS 58 4.683 19.684 -1.021 458 HZ3 LYS 58 HZ3 LYS 58 4.814 20.651 0.361 459 H ARG 59 H ARG 59 10.632 15.329 -2.112 460 HA ARG 59 HA ARG 59 10.277 13.588 -4.256 461 HB2 ARG 59 HB3 ARG 59 12.253 15.074 -3.961 462 HB3 ARG 59 HB2 ARG 59 12.814 14.067 -2.631 463 HG2 ARG 59 HG3 ARG 59 13.097 12.167 -4.236 464 HG3 ARG 59 HG2 ARG 59 12.618 13.246 -5.550 465 HD2 ARG 59 HD3 ARG 59 14.563 14.719 -5.004 466 HD3 ARG 59 HD2 ARG 59 15.048 13.566 -3.751 467 HE ARG 59 HE ARG 59 14.770 12.381 -6.363 468 HH11 ARG 59 HH11 ARG 59 17.014 14.004 -4.264 469 HH12 ARG 59 HH12 ARG 59 18.383 13.458 -5.157 470 HH21 ARG 59 HH21 ARG 59 16.546 11.717 -7.455 471 HH22 ARG 59 HH22 ARG 59 18.122 12.183 -6.931 472 H LYS 60 H LYS 60 11.373 12.858 -0.958 473 HA LYS 60 HA LYS 60 11.758 10.053 -1.351 474 HB2 LYS 60 HB3 LYS 60 11.615 11.684 1.201 475 HB3 LYS 60 HB2 LYS 60 12.062 9.976 1.135 476 HG2 LYS 60 HG3 LYS 60 13.994 10.529 -0.314 477 HG3 LYS 60 HG2 LYS 60 13.555 12.241 -0.248 478 HD2 LYS 60 HD3 LYS 60 14.405 10.504 2.099 479 HD3 LYS 60 HD2 LYS 60 15.389 11.737 1.307 480 HE2 LYS 60 HE3 LYS 60 13.783 13.473 2.031 481 HE3 LYS 60 HE2 LYS 60 12.805 12.239 2.830 482 HZ1 LYS 60 HZ1 LYS 60 15.606 12.924 3.494 483 HZ2 LYS 60 HZ2 LYS 60 14.663 11.760 4.269 484 HZ3 LYS 60 HZ3 LYS 60 14.241 13.394 4.372 485 H VAL 61 H VAL 61 8.884 11.906 -0.425 486 HA VAL 61 HA VAL 61 7.319 9.668 0.435 487 HB VAL 61 HB VAL 61 6.187 12.059 -1.091 488 HG11 VAL 61 HG11 VAL 61 4.086 11.568 0.126 489 HG12 VAL 61 HG12 VAL 61 4.854 10.181 0.902 490 HG13 VAL 61 HG13 VAL 61 4.604 10.185 -0.844 491 HG21 VAL 61 HG21 VAL 61 7.468 12.963 0.749 492 HG22 VAL 61 HG22 VAL 61 6.706 11.852 1.881 493 HG23 VAL 61 HG23 VAL 61 5.748 13.119 1.114 494 H GLY 62 H GLY 62 7.904 11.155 -2.767 495 HA2 GLY 62 HA3 GLY 62 6.476 9.360 -4.411 496 HA3 GLY 62 HA2 GLY 62 7.885 10.289 -4.900 497 H VAL 63 H VAL 63 9.858 9.220 -3.266 498 HA VAL 63 HA VAL 63 10.572 6.699 -4.343 499 HB VAL 63 HB VAL 63 11.580 8.053 -1.799 500 HG11 VAL 63 HG11 VAL 63 12.124 5.656 -1.710 501 HG12 VAL 63 HG12 VAL 63 13.587 6.603 -1.974 502 HG13 VAL 63 HG13 VAL 63 12.846 5.735 -3.320 503 HG21 VAL 63 HG21 VAL 63 12.746 8.072 -4.615 504 HG22 VAL 63 HG22 VAL 63 13.482 8.819 -3.195 505 HG23 VAL 63 HG23 VAL 63 11.944 9.424 -3.810 506 H LEU 64 H LEU 64 8.883 7.568 -1.322 507 HA LEU 64 HA LEU 64 8.838 4.980 -0.150 508 HB2 LEU 64 HB3 LEU 64 8.411 7.054 1.163 509 HB3 LEU 64 HB2 LEU 64 6.894 7.268 0.310 510 HG LEU 64 HG LEU 64 6.134 5.025 1.263 511 HD11 LEU 64 HD11 LEU 64 7.268 4.125 3.233 512 HD12 LEU 64 HD12 LEU 64 8.572 5.297 3.042 513 HD13 LEU 64 HD13 LEU 64 8.306 4.061 1.809 514 HD21 LEU 64 HD21 LEU 64 5.513 5.910 3.456 515 HD22 LEU 64 HD22 LEU 64 5.312 7.127 2.197 516 HD23 LEU 64 HD23 LEU 64 6.699 7.207 3.285 517 H LEU 65 H LEU 65 6.644 6.601 -2.429 518 HA LEU 65 HA LEU 65 4.553 4.702 -2.502 519 HB2 LEU 65 HB3 LEU 65 5.613 6.312 -4.865 520 HB3 LEU 65 HB2 LEU 65 4.023 5.571 -4.746 521 HG LEU 65 HG LEU 65 5.032 7.925 -3.102 522 HD11 LEU 65 HD11 LEU 65 4.561 8.551 -5.411 523 HD12 LEU 65 HD12 LEU 65 3.382 9.267 -4.317 524 HD13 LEU 65 HD13 LEU 65 2.938 7.864 -5.294 525 HD21 LEU 65 HD21 LEU 65 2.765 8.088 -2.168 526 HD22 LEU 65 HD22 LEU 65 3.527 6.561 -1.741 527 HD23 LEU 65 HD23 LEU 65 2.298 6.606 -3.008 528 H ASP 66 H ASP 66 7.669 4.853 -4.139 529 HA ASP 66 HA ASP 66 7.465 2.468 -5.709 530 HB2 ASP 66 HB3 ASP 66 8.927 4.391 -6.298 531 HB3 ASP 66 HB2 ASP 66 9.904 4.087 -4.864 532 H ILE 67 H ILE 67 8.676 3.144 -2.432 533 HA ILE 67 HA ILE 67 9.860 0.582 -1.901 534 HB ILE 67 HB ILE 67 8.706 2.622 0.064 535 HG12 ILE 67 HG12 ILE 67 11.625 2.169 -0.715 536 HG13 ILE 67 HG11 ILE 67 10.620 3.461 -1.353 537 HG21 ILE 67 HG21 ILE 67 8.840 0.408 1.128 538 HG22 ILE 67 HG22 ILE 67 10.053 1.489 1.814 539 HG23 ILE 67 HG23 ILE 67 10.532 0.256 0.645 540 HD11 ILE 67 HD11 ILE 67 12.085 4.287 0.373 541 HD12 ILE 67 HD12 ILE 67 11.451 3.112 1.523 542 HD13 ILE 67 HD13 ILE 67 10.408 4.398 0.909 543 H LEU 68 H LEU 68 6.668 1.979 -1.215 544 HA LEU 68 HA LEU 68 5.525 -0.386 -0.077 545 HB2 LEU 68 HB3 LEU 68 4.186 2.155 -1.061 546 HB3 LEU 68 HB2 LEU 68 3.394 0.895 -0.124 547 HG LEU 68 HG LEU 68 5.644 2.712 0.838 548 HD11 LEU 68 HD11 LEU 68 2.720 2.626 1.644 549 HD12 LEU 68 HD12 LEU 68 3.513 3.878 0.684 550 HD13 LEU 68 HD13 LEU 68 3.966 3.649 2.370 551 HD21 LEU 68 HD21 LEU 68 5.914 0.506 1.845 552 HD22 LEU 68 HD22 LEU 68 4.227 0.502 2.365 553 HD23 LEU 68 HD23 LEU 68 5.362 1.666 3.052 554 H GLN 69 H GLN 69 5.828 0.878 -3.320 555 HA GLN 69 HA GLN 69 4.027 -0.776 -4.731 556 HB2 GLN 69 HB3 GLN 69 5.239 1.110 -5.763 557 HB3 GLN 69 HB2 GLN 69 6.770 0.277 -5.527 558 HG2 GLN 69 HG3 GLN 69 5.912 -1.530 -7.093 559 HG3 GLN 69 HG2 GLN 69 4.542 -0.473 -7.435 560 HE21 GLN 69 HE21 GLN 69 8.003 -0.848 -7.738 561 HE22 GLN 69 HE22 GLN 69 8.221 0.316 -8.990 562 H ARG 70 H ARG 70 7.362 -1.382 -3.613 563 HA ARG 70 HA ARG 70 7.871 -3.904 -4.748 564 HB2 ARG 70 HB3 ARG 70 8.802 -2.915 -2.019 565 HB3 ARG 70 HB2 ARG 70 9.535 -4.224 -2.945 566 HG2 ARG 70 HG3 ARG 70 10.274 -2.651 -4.661 567 HG3 ARG 70 HG2 ARG 70 9.439 -1.326 -3.846 568 HD2 ARG 70 HD3 ARG 70 10.923 -1.631 -1.873 569 HD3 ARG 70 HD2 ARG 70 11.780 -2.917 -2.734 570 HE ARG 70 HE ARG 70 11.666 -0.174 -3.822 571 HH11 ARG 70 HH11 ARG 70 13.569 -2.878 -2.786 572 HH12 ARG 70 HH12 ARG 70 15.065 -2.104 -3.176 573 HH21 ARG 70 HH21 ARG 70 13.582 0.770 -4.329 574 HH22 ARG 70 HH22 ARG 70 15.063 -0.074 -4.059 575 H THR 71 H THR 71 6.443 -3.101 -1.581 576 HA THR 71 HA THR 71 5.509 -5.858 -1.144 577 HB THR 71 HB THR 71 6.520 -4.695 0.791 578 HG1 THR 71 HG1 THR 71 5.146 -5.974 1.776 579 HG21 THR 71 HG21 THR 71 4.211 -2.721 0.612 580 HG22 THR 71 HG22 THR 71 5.902 -2.361 0.263 581 HG23 THR 71 HG23 THR 71 5.418 -2.797 1.902 582 H GLY 72 H GLY 72 4.390 -4.013 -3.286 583 HA2 GLY 72 HA3 GLY 72 2.242 -2.486 -2.874 584 HA3 GLY 72 HA2 GLY 72 2.380 -3.522 -4.274 585 H HIS 73 H HIS 73 1.889 -6.023 -3.139 586 HA HIS 73 HA HIS 73 -0.837 -6.331 -3.021 587 HB2 HIS 73 HB2 HIS 73 -0.367 -8.548 -1.828 588 HB3 HIS 73 HB1 HIS 73 0.555 -8.281 -3.300 589 HD1 HIS 73 HD1 HIS 73 0.964 -8.571 0.424 590 HD2 HIS 73 HD2 HIS 73 3.345 -8.003 -2.939 591 HE1 HIS 73 HE1 HIS 73 3.325 -8.811 1.217 592 HE2 HIS 73 HE2 HIS 73 4.749 -8.459 -0.819 593 H LYS 74 H LYS 74 1.305 -6.043 -0.164 594 HA LYS 74 HA LYS 74 -0.895 -5.661 1.701 595 HB2 LYS 74 HB3 LYS 74 1.603 -6.741 2.025 596 HB3 LYS 74 HB2 LYS 74 1.948 -5.099 2.541 597 HG2 LYS 74 HG3 LYS 74 -0.066 -7.023 3.750 598 HG3 LYS 74 HG2 LYS 74 1.458 -6.494 4.466 599 HD2 LYS 74 HD3 LYS 74 0.550 -4.182 4.636 600 HD3 LYS 74 HD2 LYS 74 -0.972 -4.729 3.931 601 HE2 LYS 74 HE3 LYS 74 0.208 -5.616 6.586 602 HE3 LYS 74 HE2 LYS 74 -1.185 -4.559 6.351 603 HZ1 LYS 74 HZ1 LYS 74 -1.912 -6.767 6.857 604 HZ2 LYS 74 HZ2 LYS 74 -1.002 -7.418 5.590 605 HZ3 LYS 74 HZ3 LYS 74 -2.320 -6.416 5.253 606 H GLY 75 H GLY 75 1.838 -3.734 0.458 607 HA2 GLY 75 HA3 GLY 75 1.631 -1.410 1.901 608 HA3 GLY 75 HA2 GLY 75 2.320 -1.517 0.296 609 H TYR 76 H TYR 76 0.009 -2.066 -1.207 610 HA TYR 76 HA TYR 76 -1.098 0.494 -1.669 611 HB2 TYR 76 HB2 TYR 76 -0.889 -1.339 -3.376 612 HB3 TYR 76 HB1 TYR 76 -2.175 -2.212 -2.564 613 HD1 TYR 76 HD1 TYR 76 -4.397 -1.926 -3.338 614 HD2 TYR 76 HD2 TYR 76 -1.503 1.097 -4.220 615 HE1 TYR 76 HE1 TYR 76 -6.031 -0.785 -4.779 616 HE2 TYR 76 HE2 TYR 76 -3.143 2.235 -5.653 617 HH TYR 76 HH TYR 76 -5.177 1.637 -6.957 618 H VAL 77 H VAL 77 -2.551 -2.424 -0.200 619 HA VAL 77 HA VAL 77 -5.091 -1.382 0.452 620 HB VAL 77 HB VAL 77 -3.534 -3.620 1.838 621 HG11 VAL 77 HG11 VAL 77 -5.338 -2.834 3.315 622 HG12 VAL 77 HG12 VAL 77 -5.733 -4.430 2.676 623 HG13 VAL 77 HG13 VAL 77 -6.513 -2.995 2.006 624 HG21 VAL 77 HG21 VAL 77 -3.884 -4.052 -0.563 625 HG22 VAL 77 HG22 VAL 77 -5.616 -3.768 -0.381 626 HG23 VAL 77 HG23 VAL 77 -4.862 -5.153 0.410 627 H ALA 78 H ALA 78 -2.202 -1.764 2.500 628 HA ALA 78 HA ALA 78 -3.114 -0.594 4.872 629 HB1 ALA 78 HB1 ALA 78 -0.737 -0.432 5.475 630 HB2 ALA 78 HB2 ALA 78 -0.282 -0.717 3.793 631 HB3 ALA 78 HB3 ALA 78 -1.095 -1.983 4.714 632 H PHE 79 H PHE 79 -1.575 0.901 2.044 633 HA PHE 79 HA PHE 79 -1.255 3.526 3.103 634 HB2 PHE 79 HB2 PHE 79 -0.139 2.527 1.001 635 HB3 PHE 79 HB1 PHE 79 -1.648 2.852 0.158 636 HD1 PHE 79 HD1 PHE 79 -1.646 4.846 -1.119 637 HD2 PHE 79 HD2 PHE 79 0.704 4.666 2.452 638 HE1 PHE 79 HE1 PHE 79 -0.820 7.131 -1.537 639 HE2 PHE 79 HE2 PHE 79 1.516 6.938 2.037 640 HZ PHE 79 HZ PHE 79 0.760 8.180 0.040 641 H LEU 80 H LEU 80 -3.824 2.015 1.098 642 HA LEU 80 HA LEU 80 -5.581 4.238 1.035 643 HB2 LEU 80 HB3 LEU 80 -6.191 1.269 0.823 644 HB3 LEU 80 HB2 LEU 80 -7.382 2.530 0.539 645 HG LEU 80 HG LEU 80 -4.882 1.997 -1.115 646 HD11 LEU 80 HD11 LEU 80 -6.449 1.463 -2.924 647 HD12 LEU 80 HD12 LEU 80 -7.815 1.722 -1.836 648 HD13 LEU 80 HD13 LEU 80 -6.680 0.403 -1.534 649 HD21 LEU 80 HD21 LEU 80 -5.220 4.413 -1.004 650 HD22 LEU 80 HD22 LEU 80 -6.915 4.233 -1.462 651 HD23 LEU 80 HD23 LEU 80 -5.639 3.818 -2.610 652 H GLU 81 H GLU 81 -5.182 1.690 3.475 653 HA GLU 81 HA GLU 81 -7.410 2.277 5.126 654 HB2 GLU 81 HB3 GLU 81 -4.697 1.077 5.818 655 HB3 GLU 81 HB2 GLU 81 -6.047 1.146 6.946 656 HG2 GLU 81 HG3 GLU 81 -6.039 -0.354 4.313 657 HG3 GLU 81 HG2 GLU 81 -5.748 -1.074 5.890 658 H SER 82 H SER 82 -4.003 3.458 5.224 659 HA SER 82 HA SER 82 -4.318 5.192 7.456 660 HB2 SER 82 HB3 SER 82 -2.196 6.218 6.825 661 HB3 SER 82 HB2 SER 82 -2.079 4.481 6.561 662 HG SER 82 HG SER 82 -2.114 4.785 4.418 663 H LEU 83 H LEU 83 -4.614 5.812 3.949 664 HA LEU 83 HA LEU 83 -5.147 8.596 4.170 665 HB2 LEU 83 HB3 LEU 83 -5.876 6.703 1.907 666 HB3 LEU 83 HB2 LEU 83 -5.929 8.460 1.818 667 HG LEU 83 HG LEU 83 -3.495 6.664 1.977 668 HD11 LEU 83 HD11 LEU 83 -4.322 8.789 -0.013 669 HD12 LEU 83 HD12 LEU 83 -4.323 7.038 -0.257 670 HD13 LEU 83 HD13 LEU 83 -2.796 7.897 -0.044 671 HD21 LEU 83 HD21 LEU 83 -3.086 8.405 3.622 672 HD22 LEU 83 HD22 LEU 83 -3.502 9.660 2.450 673 HD23 LEU 83 HD23 LEU 83 -2.071 8.656 2.206 674 H GLU 84 H GLU 84 -7.281 5.770 4.255 675 HA GLU 84 HA GLU 84 -9.756 7.079 3.942 676 HB2 GLU 84 HB3 GLU 84 -9.466 4.601 3.897 677 HB3 GLU 84 HB2 GLU 84 -9.166 4.615 5.634 678 HG2 GLU 84 HG3 GLU 84 -11.463 5.509 5.994 679 HG3 GLU 84 HG2 GLU 84 -11.747 5.432 4.257 680 H LEU 85 H LEU 85 -7.814 6.447 6.841 681 HA LEU 85 HA LEU 85 -9.694 7.595 8.694 682 HB2 LEU 85 HB3 LEU 85 -6.786 6.805 9.095 683 HB3 LEU 85 HB2 LEU 85 -7.925 7.188 10.381 684 HG LEU 85 HG LEU 85 -8.090 4.797 8.498 685 HD11 LEU 85 HD11 LEU 85 -6.313 4.556 10.151 686 HD12 LEU 85 HD12 LEU 85 -7.628 3.435 10.486 687 HD13 LEU 85 HD13 LEU 85 -7.445 4.897 11.460 688 HD21 LEU 85 HD21 LEU 85 -10.344 5.565 9.053 689 HD22 LEU 85 HD22 LEU 85 -9.955 5.564 10.775 690 HD23 LEU 85 HD23 LEU 85 -10.000 4.046 9.876 691 H TYR 86 H TYR 86 -6.545 8.662 7.355 692 HA TYR 86 HA TYR 86 -6.554 11.067 9.004 693 HB2 TYR 86 HB2 TYR 86 -4.469 9.887 7.132 694 HB3 TYR 86 HB1 TYR 86 -4.250 11.424 7.969 695 HD1 TYR 86 HD1 TYR 86 -4.349 11.441 10.527 696 HD2 TYR 86 HD2 TYR 86 -4.005 7.814 8.300 697 HE1 TYR 86 HE1 TYR 86 -3.590 10.271 12.548 698 HE2 TYR 86 HE2 TYR 86 -3.243 6.642 10.322 699 HH TYR 86 HH TYR 86 -3.604 7.836 13.389 700 H TYR 87 H TYR 87 -6.673 10.373 5.468 701 HA TYR 87 HA TYR 87 -7.569 13.186 5.001 702 HB2 TYR 87 HB2 TYR 87 -5.692 11.609 3.166 703 HB3 TYR 87 HB1 TYR 87 -6.274 13.244 2.887 704 HD1 TYR 87 HD1 TYR 87 -3.534 11.369 4.118 705 HD2 TYR 87 HD2 TYR 87 -5.708 14.983 4.850 706 HE1 TYR 87 HE1 TYR 87 -1.596 12.294 5.328 707 HE2 TYR 87 HE2 TYR 87 -3.768 15.902 6.046 708 HH TYR 87 HH TYR 87 -0.720 14.728 5.846 709 HA PRO 88 HA PRO 88 -10.679 9.792 3.586 710 HB2 PRO 88 HB3 PRO 88 -12.529 12.063 4.325 711 HB3 PRO 88 HB2 PRO 88 -12.713 10.326 4.613 712 HG2 PRO 88 HG3 PRO 88 -11.976 11.923 6.604 713 HG3 PRO 88 HG2 PRO 88 -11.195 10.338 6.411 714 HD2 PRO 88 HD3 PRO 88 -10.144 13.074 5.702 715 HD3 PRO 88 HD2 PRO 88 -9.290 11.686 6.409 716 H GLN 89 H GLN 89 -10.644 13.248 2.774 717 HA GLN 89 HA GLN 89 -12.224 13.178 0.420 718 HB2 GLN 89 HB3 GLN 89 -11.679 15.267 1.724 719 HB3 GLN 89 HB2 GLN 89 -10.025 15.173 1.137 720 HG2 GLN 89 HG3 GLN 89 -11.189 16.812 -0.179 721 HG3 GLN 89 HG2 GLN 89 -10.900 15.407 -1.207 722 HE21 GLN 89 HE21 GLN 89 -13.313 17.275 0.482 723 HE22 GLN 89 HE22 GLN 89 -14.683 16.566 -0.282 724 H LEU 90 H LEU 90 -8.660 13.239 0.859 725 HA LEU 90 HA LEU 90 -8.032 12.967 -1.914 726 HB2 LEU 90 HB3 LEU 90 -6.482 13.970 -0.208 727 HB3 LEU 90 HB2 LEU 90 -6.235 12.366 0.462 728 HG LEU 90 HG LEU 90 -5.119 11.610 -1.582 729 HD11 LEU 90 HD11 LEU 90 -4.684 13.096 -3.487 730 HD12 LEU 90 HD12 LEU 90 -5.703 14.339 -2.760 731 HD13 LEU 90 HD13 LEU 90 -6.407 12.800 -3.266 732 HD21 LEU 90 HD21 LEU 90 -3.999 14.288 -0.697 733 HD22 LEU 90 HD22 LEU 90 -3.107 13.001 -1.516 734 HD23 LEU 90 HD23 LEU 90 -3.736 12.739 0.108 735 H TYR 91 H TYR 91 -8.517 10.651 0.694 736 HA TYR 91 HA TYR 91 -7.725 8.262 -0.564 737 HB2 TYR 91 HB2 TYR 91 -8.242 8.202 1.785 738 HB3 TYR 91 HB1 TYR 91 -9.857 8.847 1.524 739 HD1 TYR 91 HD1 TYR 91 -11.691 7.336 1.413 740 HD2 TYR 91 HD2 TYR 91 -7.753 5.842 0.688 741 HE1 TYR 91 HE1 TYR 91 -12.591 5.051 1.242 742 HE2 TYR 91 HE2 TYR 91 -8.659 3.567 0.525 743 HH TYR 91 HH TYR 91 -10.610 2.291 1.271 744 H LYS 92 H LYS 92 -10.984 9.754 -0.402 745 HA LYS 92 HA LYS 92 -12.312 8.005 -2.152 746 HB2 LYS 92 HB3 LYS 92 -13.430 9.605 -0.587 747 HB3 LYS 92 HB2 LYS 92 -12.932 10.940 -1.620 748 HG2 LYS 92 HG3 LYS 92 -14.332 10.055 -3.452 749 HG3 LYS 92 HG2 LYS 92 -14.814 8.694 -2.442 750 HD2 LYS 92 HD3 LYS 92 -15.398 11.624 -1.829 751 HD3 LYS 92 HD2 LYS 92 -16.547 10.495 -2.552 752 HE2 LYS 92 HE3 LYS 92 -16.473 9.107 -0.514 753 HE3 LYS 92 HE2 LYS 92 -15.296 10.207 0.204 754 HZ1 LYS 92 HZ1 LYS 92 -17.501 10.645 1.023 755 HZ2 LYS 92 HZ2 LYS 92 -18.087 10.884 -0.543 756 HZ3 LYS 92 HZ3 LYS 92 -16.961 11.964 0.112 757 H LYS 93 H LYS 93 -10.428 10.933 -2.807 758 HA LYS 93 HA LYS 93 -10.959 11.191 -5.573 759 HB2 LYS 93 HB3 LYS 93 -10.043 13.038 -4.338 760 HB3 LYS 93 HB2 LYS 93 -8.624 12.112 -3.871 761 HG2 LYS 93 HG3 LYS 93 -7.670 12.236 -6.033 762 HG3 LYS 93 HG2 LYS 93 -9.199 12.707 -6.780 763 HD2 LYS 93 HD3 LYS 93 -7.604 14.444 -4.851 764 HD3 LYS 93 HD2 LYS 93 -7.558 14.590 -6.612 765 HE2 LYS 93 HE3 LYS 93 -9.992 15.018 -4.834 766 HE3 LYS 93 HE2 LYS 93 -9.070 16.268 -5.671 767 HZ1 LYS 93 HZ1 LYS 93 -11.099 15.697 -6.857 768 HZ2 LYS 93 HZ2 LYS 93 -10.599 14.087 -7.000 769 HZ3 LYS 93 HZ3 LYS 93 -9.737 15.317 -7.779 770 H VAL 94 H VAL 94 -8.172 9.577 -3.941 771 HA VAL 94 HA VAL 94 -6.976 8.715 -6.405 772 HB VAL 94 HB VAL 94 -5.364 7.442 -5.044 773 HG11 VAL 94 HG11 VAL 94 -5.867 10.218 -3.905 774 HG12 VAL 94 HG12 VAL 94 -4.976 9.851 -5.384 775 HG13 VAL 94 HG13 VAL 94 -4.346 9.324 -3.824 776 HG21 VAL 94 HG21 VAL 94 -6.863 6.595 -3.267 777 HG22 VAL 94 HG22 VAL 94 -7.028 8.226 -2.611 778 HG23 VAL 94 HG23 VAL 94 -5.462 7.414 -2.570 779 H THR 95 H THR 95 -9.427 7.339 -4.357 780 HA THR 95 HA THR 95 -9.338 4.724 -5.703 781 HB THR 95 HB THR 95 -11.243 4.079 -4.231 782 HG1 THR 95 HG1 THR 95 -11.085 6.225 -2.536 783 HG21 THR 95 HG21 THR 95 -8.922 5.302 -2.698 784 HG22 THR 95 HG22 THR 95 -8.968 3.681 -3.393 785 HG23 THR 95 HG23 THR 95 -10.051 4.101 -2.065 786 H GLY 96 H GLY 96 -10.614 7.726 -6.472 787 HA2 GLY 96 HA3 GLY 96 -12.426 6.609 -8.453 788 HA3 GLY 96 HA2 GLY 96 -13.241 7.502 -7.177 789 H LYS 97 H LYS 97 -13.250 9.753 -7.262 790 HA LYS 97 HA LYS 97 -12.296 10.919 -9.812 791 HB2 LYS 97 HB3 LYS 97 -14.544 11.886 -7.993 792 HB3 LYS 97 HB2 LYS 97 -14.111 12.565 -9.561 793 HG2 LYS 97 HG3 LYS 97 -14.698 10.361 -10.617 794 HG3 LYS 97 HG2 LYS 97 -15.221 9.788 -9.033 795 HD2 LYS 97 HD3 LYS 97 -17.171 10.494 -10.315 796 HD3 LYS 97 HD2 LYS 97 -16.933 11.599 -8.958 797 HE2 LYS 97 HE3 LYS 97 -15.888 13.248 -10.476 798 HE3 LYS 97 HE2 LYS 97 -16.081 12.137 -11.832 799 HZ1 LYS 97 HZ1 LYS 97 -18.482 12.273 -11.525 800 HZ2 LYS 97 HZ2 LYS 97 -17.808 13.789 -11.838 801 HZ3 LYS 97 HZ3 LYS 97 -18.275 13.379 -10.264 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 8.910 -18.825 1.098 2 H2 MET 1 HT2 MET 1 9.753 -17.661 0.212 3 H3 MET 1 HT3 MET 1 8.808 -18.810 -0.588 4 HA MET 1 HA MET 1 6.813 -17.923 0.387 5 HB2 MET 1 HB2 MET 1 8.705 -15.873 1.625 6 HB3 MET 1 HB1 MET 1 6.951 -15.718 1.620 7 HG2 MET 1 HG2 MET 1 7.745 -16.532 3.778 8 HG3 MET 1 HG1 MET 1 6.756 -17.758 2.981 9 HE1 MET 1 HE1 MET 1 9.277 -20.093 4.794 10 HE2 MET 1 HE2 MET 1 7.584 -19.804 4.389 11 HE3 MET 1 HE3 MET 1 8.456 -18.664 5.416 12 H SER 2 H SER 2 6.747 -17.962 -1.922 13 HA SER 2 HA SER 2 7.620 -15.532 -3.377 14 HB2 SER 2 HB3 SER 2 6.737 -18.242 -4.462 15 HB3 SER 2 HB2 SER 2 7.326 -16.888 -5.429 16 HG SER 2 HG SER 2 8.867 -18.626 -4.804 17 H ASP 3 H ASP 3 6.132 -14.047 -3.939 18 HA ASP 3 HA ASP 3 3.286 -14.449 -3.585 19 HB2 ASP 3 HB3 ASP 3 4.531 -12.307 -3.037 20 HB3 ASP 3 HB2 ASP 3 4.751 -12.043 -4.761 21 H TYR 4 H TYR 4 1.689 -13.953 -5.337 22 HA TYR 4 HA TYR 4 2.502 -15.355 -7.835 23 HB2 TYR 4 HB2 TYR 4 -0.188 -15.343 -6.412 24 HB3 TYR 4 HB1 TYR 4 0.167 -16.209 -7.902 25 HD1 TYR 4 HD1 TYR 4 0.736 -16.136 -4.239 26 HD2 TYR 4 HD2 TYR 4 1.448 -18.302 -7.861 27 HE1 TYR 4 HE1 TYR 4 1.455 -18.093 -2.935 28 HE2 TYR 4 HE2 TYR 4 2.159 -20.255 -6.548 29 HH TYR 4 HH TYR 4 1.585 -20.545 -3.238 30 H GLU 5 H GLU 5 1.996 -12.252 -7.094 31 HA GLU 5 HA GLU 5 0.791 -11.551 -9.667 32 HB2 GLU 5 HB3 GLU 5 -0.958 -10.093 -8.671 33 HB3 GLU 5 HB2 GLU 5 -1.204 -11.785 -8.247 34 HG2 GLU 5 HG3 GLU 5 -0.248 -11.384 -6.016 35 HG3 GLU 5 HG2 GLU 5 0.047 -9.696 -6.430 36 H ASN 6 H ASN 6 0.577 -9.033 -9.791 37 HA ASN 6 HA ASN 6 3.040 -7.763 -8.708 38 HB2 ASN 6 HB3 ASN 6 1.823 -7.471 -11.496 39 HB3 ASN 6 HB2 ASN 6 3.177 -6.521 -10.889 40 HD21 ASN 6 HD21 ASN 6 2.176 -9.694 -11.975 41 HD22 ASN 6 HD22 ASN 6 3.762 -10.346 -12.148 42 H ASP 7 H ASP 7 2.367 -6.373 -7.211 43 HA ASP 7 HA ASP 7 -0.154 -5.110 -6.992 44 HB2 ASP 7 HB3 ASP 7 0.987 -3.792 -5.157 45 HB3 ASP 7 HB2 ASP 7 1.170 -5.540 -5.026 46 H ASP 8 H ASP 8 2.721 -4.116 -8.672 47 HA ASP 8 HA ASP 8 2.500 -1.327 -8.715 48 HB2 ASP 8 HB3 ASP 8 3.857 -1.531 -10.895 49 HB3 ASP 8 HB2 ASP 8 4.542 -2.243 -9.439 50 H GLU 9 H GLU 9 0.626 -3.663 -10.522 51 HA GLU 9 HA GLU 9 -0.526 -2.044 -12.526 52 HB2 GLU 9 HB3 GLU 9 -1.890 -4.283 -10.968 53 HB3 GLU 9 HB2 GLU 9 -2.372 -3.680 -12.553 54 HG2 GLU 9 HG3 GLU 9 0.262 -5.072 -11.948 55 HG3 GLU 9 HG2 GLU 9 -1.165 -5.867 -12.609 56 H CYS 10 H CYS 10 -1.443 -2.541 -9.131 57 HA CYS 10 HA CYS 10 -3.750 -0.833 -9.108 58 HB2 CYS 10 HB3 CYS 10 -2.054 -1.898 -6.816 59 HB3 CYS 10 HB2 CYS 10 -3.611 -1.093 -6.628 60 HG CYS 10 HG CYS 10 -4.710 -3.427 -6.461 61 H TRP 11 H TRP 11 -0.336 -0.383 -8.108 62 HA TRP 11 HA TRP 11 -0.527 2.267 -7.136 63 HB2 TRP 11 HB2 TRP 11 1.844 0.832 -8.392 64 HB3 TRP 11 HB1 TRP 11 1.956 2.412 -7.629 65 HD1 TRP 11 HD1 TRP 11 2.328 -1.173 -6.820 66 HE1 TRP 11 HE1 TRP 11 2.509 -1.503 -4.287 67 HE3 TRP 11 HE3 TRP 11 0.744 3.455 -5.265 68 HZ2 TRP 11 HZ2 TRP 11 2.031 -0.026 -1.934 69 HZ3 TRP 11 HZ3 TRP 11 0.626 3.907 -2.845 70 HH2 TRP 11 HH2 TRP 11 1.258 2.198 -1.214 71 H SER 12 H SER 12 -0.279 1.020 -10.407 72 HA SER 12 HA SER 12 0.620 3.219 -11.855 73 HB2 SER 12 HB3 SER 12 0.351 1.017 -12.887 74 HB3 SER 12 HB2 SER 12 -1.400 1.112 -12.710 75 HG SER 12 HG SER 12 -1.521 2.465 -14.360 76 H VAL 13 H VAL 13 -2.631 2.616 -10.612 77 HA VAL 13 HA VAL 13 -3.986 4.764 -11.912 78 HB VAL 13 HB VAL 13 -4.654 3.441 -9.241 79 HG11 VAL 13 HG11 VAL 13 -6.448 5.080 -11.083 80 HG12 VAL 13 HG12 VAL 13 -5.850 5.579 -9.499 81 HG13 VAL 13 HG13 VAL 13 -6.976 4.228 -9.628 82 HG21 VAL 13 HG21 VAL 13 -4.524 1.769 -11.042 83 HG22 VAL 13 HG22 VAL 13 -5.627 2.723 -12.039 84 HG23 VAL 13 HG23 VAL 13 -6.200 1.996 -10.536 85 H LEU 14 H LEU 14 -2.513 4.483 -8.657 86 HA LEU 14 HA LEU 14 -3.084 7.124 -7.788 87 HB2 LEU 14 HB3 LEU 14 -0.969 5.192 -6.782 88 HB3 LEU 14 HB2 LEU 14 -1.446 6.672 -5.964 89 HG LEU 14 HG LEU 14 -3.117 4.160 -6.345 90 HD11 LEU 14 HD11 LEU 14 -3.139 4.107 -3.883 91 HD12 LEU 14 HD12 LEU 14 -2.112 5.542 -3.834 92 HD13 LEU 14 HD13 LEU 14 -1.498 4.038 -4.522 93 HD21 LEU 14 HD21 LEU 14 -4.600 6.074 -6.700 94 HD22 LEU 14 HD22 LEU 14 -4.046 6.820 -5.200 95 HD23 LEU 14 HD23 LEU 14 -4.952 5.305 -5.153 96 H GLU 15 H GLU 15 -0.420 5.842 -9.693 97 HA GLU 15 HA GLU 15 1.499 7.872 -9.385 98 HB2 GLU 15 HB3 GLU 15 0.902 6.109 -11.789 99 HB3 GLU 15 HB2 GLU 15 2.285 7.199 -11.715 100 HG2 GLU 15 HG3 GLU 15 3.040 5.958 -9.644 101 HG3 GLU 15 HG2 GLU 15 1.746 4.797 -9.945 102 H GLY 16 H GLY 16 -1.302 7.709 -11.574 103 HA2 GLY 16 HA3 GLY 16 -0.937 10.117 -13.002 104 HA3 GLY 16 HA2 GLY 16 -2.477 9.335 -12.695 105 H PHE 17 H PHE 17 -1.766 9.640 -9.680 106 HA PHE 17 HA PHE 17 -2.584 12.480 -9.345 107 HB2 PHE 17 HB2 PHE 17 -3.150 10.111 -7.499 108 HB3 PHE 17 HB1 PHE 17 -3.755 11.751 -7.301 109 HD1 PHE 17 HD1 PHE 17 -4.174 8.577 -9.099 110 HD2 PHE 17 HD2 PHE 17 -5.578 12.605 -8.759 111 HE1 PHE 17 HE1 PHE 17 -6.179 7.989 -10.402 112 HE2 PHE 17 HE2 PHE 17 -7.580 12.004 -10.060 113 HZ PHE 17 HZ PHE 17 -7.884 9.704 -10.883 114 H ARG 18 H ARG 18 0.236 10.866 -9.223 115 HA ARG 18 HA ARG 18 0.995 10.817 -6.477 116 HB2 ARG 18 HB3 ARG 18 3.198 10.213 -7.154 117 HB3 ARG 18 HB2 ARG 18 2.087 9.453 -8.291 118 HG2 ARG 18 HG3 ARG 18 2.567 11.269 -9.920 119 HG3 ARG 18 HG2 ARG 18 3.730 11.957 -8.792 120 HD2 ARG 18 HD3 ARG 18 5.062 9.883 -8.893 121 HD3 ARG 18 HD2 ARG 18 3.899 9.192 -10.033 122 HE ARG 18 HE ARG 18 4.613 11.430 -11.311 123 HH11 ARG 18 HH11 ARG 18 6.575 8.995 -9.835 124 HH12 ARG 18 HH12 ARG 18 7.887 9.246 -10.930 125 HH21 ARG 18 HH21 ARG 18 6.296 11.710 -12.711 126 HH22 ARG 18 HH22 ARG 18 7.724 10.751 -12.549 127 H VAL 19 H VAL 19 1.191 13.384 -8.858 128 HA VAL 19 HA VAL 19 2.925 15.162 -7.474 129 HB VAL 19 HB VAL 19 2.343 15.485 -9.853 130 HG11 VAL 19 HG11 VAL 19 -0.014 14.782 -9.826 131 HG12 VAL 19 HG12 VAL 19 0.152 16.369 -10.578 132 HG13 VAL 19 HG13 VAL 19 -0.456 16.235 -8.927 133 HG21 VAL 19 HG21 VAL 19 2.019 17.942 -9.856 134 HG22 VAL 19 HG22 VAL 19 3.159 17.449 -8.601 135 HG23 VAL 19 HG23 VAL 19 1.503 17.879 -8.168 136 H THR 20 H THR 20 -0.529 14.517 -7.215 137 HA THR 20 HA THR 20 -1.103 16.535 -5.233 138 HB THR 20 HB THR 20 -2.794 14.093 -5.936 139 HG1 THR 20 HG1 THR 20 -3.875 15.632 -7.368 140 HG21 THR 20 HG21 THR 20 -4.691 15.523 -5.207 141 HG22 THR 20 HG22 THR 20 -3.556 16.793 -4.746 142 HG23 THR 20 HG23 THR 20 -3.540 15.246 -3.895 143 H LEU 21 H LEU 21 -0.318 13.051 -5.218 144 HA LEU 21 HA LEU 21 -0.901 12.477 -2.500 145 HB2 LEU 21 HB3 LEU 21 1.200 11.123 -4.241 146 HB3 LEU 21 HB2 LEU 21 0.536 10.483 -2.745 147 HG LEU 21 HG LEU 21 -0.902 10.797 -5.407 148 HD11 LEU 21 HD11 LEU 21 0.583 8.866 -5.294 149 HD12 LEU 21 HD12 LEU 21 -1.101 8.353 -5.334 150 HD13 LEU 21 HD13 LEU 21 -0.203 8.313 -3.813 151 HD21 LEU 21 HD21 LEU 21 -2.118 9.861 -2.787 152 HD22 LEU 21 HD22 LEU 21 -2.902 9.832 -4.367 153 HD23 LEU 21 HD23 LEU 21 -2.485 11.371 -3.623 154 H THR 22 H THR 22 2.217 13.285 -4.072 155 HA THR 22 HA THR 22 3.802 13.377 -1.716 156 HB THR 22 HB THR 22 5.487 14.606 -3.093 157 HG1 THR 22 HG1 THR 22 3.852 14.396 -5.373 158 HG21 THR 22 HG21 THR 22 5.389 12.136 -3.237 159 HG22 THR 22 HG22 THR 22 5.862 12.844 -4.783 160 HG23 THR 22 HG23 THR 22 4.216 12.256 -4.549 161 H SER 23 H SER 23 1.644 15.714 -3.102 162 HA SER 23 HA SER 23 2.717 18.047 -1.754 163 HB2 SER 23 HB3 SER 23 1.588 18.292 -3.928 164 HB3 SER 23 HB2 SER 23 0.094 17.642 -3.255 165 HG SER 23 HG SER 23 -0.113 19.832 -3.195 166 H VAL 24 H VAL 24 -0.377 16.250 -1.477 167 HA VAL 24 HA VAL 24 -1.189 17.799 0.850 168 HB VAL 24 HB VAL 24 -2.711 15.584 -0.584 169 HG11 VAL 24 HG11 VAL 24 -3.602 16.002 1.671 170 HG12 VAL 24 HG12 VAL 24 -4.741 16.574 0.452 171 HG13 VAL 24 HG13 VAL 24 -3.732 17.728 1.324 172 HG21 VAL 24 HG21 VAL 24 -2.164 17.397 -2.159 173 HG22 VAL 24 HG22 VAL 24 -2.854 18.591 -1.057 174 HG23 VAL 24 HG23 VAL 24 -3.896 17.382 -1.813 175 H ILE 25 H ILE 25 -0.472 14.354 0.123 176 HA ILE 25 HA ILE 25 -1.012 13.438 2.811 177 HB ILE 25 HB ILE 25 0.522 12.001 0.596 178 HG12 ILE 25 HG12 ILE 25 -2.398 11.643 1.386 179 HG13 ILE 25 HG11 ILE 25 -1.858 12.601 0.009 180 HG21 ILE 25 HG21 ILE 25 -0.672 10.853 3.151 181 HG22 ILE 25 HG22 ILE 25 1.048 11.045 2.807 182 HG23 ILE 25 HG23 ILE 25 0.082 9.917 1.856 183 HD11 ILE 25 HD11 ILE 25 -2.615 10.415 -0.675 184 HD12 ILE 25 HD12 ILE 25 -1.427 9.643 0.374 185 HD13 ILE 25 HD13 ILE 25 -0.895 10.607 -1.006 186 H ASP 26 H ASP 26 0.339 13.309 4.486 187 HA ASP 26 HA ASP 26 3.172 14.081 4.173 188 HB2 ASP 26 HB3 ASP 26 1.909 15.559 5.668 189 HB3 ASP 26 HB2 ASP 26 1.327 14.189 6.607 190 HA PRO 27 HA PRO 27 4.013 9.738 4.832 191 HB2 PRO 27 HB3 PRO 27 6.724 9.823 4.963 192 HB3 PRO 27 HB2 PRO 27 5.854 10.173 3.464 193 HG2 PRO 27 HG3 PRO 27 6.993 12.110 5.485 194 HG3 PRO 27 HG2 PRO 27 7.128 12.140 3.715 195 HD2 PRO 27 HD3 PRO 27 5.309 13.649 5.067 196 HD3 PRO 27 HD2 PRO 27 5.005 13.026 3.432 197 H SER 28 H SER 28 5.459 12.106 7.086 198 HA SER 28 HA SER 28 6.103 10.192 9.137 199 HB2 SER 28 HB3 SER 28 6.701 12.162 10.516 200 HB3 SER 28 HB2 SER 28 7.390 12.293 8.901 201 HG SER 28 HG SER 28 5.409 13.623 8.458 202 H ARG 29 H ARG 29 3.233 11.910 8.275 203 HA ARG 29 HA ARG 29 1.872 11.766 10.787 204 HB2 ARG 29 HB3 ARG 29 1.304 13.287 8.779 205 HB3 ARG 29 HB2 ARG 29 0.546 11.882 8.043 206 HG2 ARG 29 HG3 ARG 29 -1.104 13.357 9.146 207 HG3 ARG 29 HG2 ARG 29 -1.071 11.750 9.881 208 HD2 ARG 29 HD3 ARG 29 0.312 12.599 11.728 209 HD3 ARG 29 HD2 ARG 29 0.353 14.201 10.989 210 HE ARG 29 HE ARG 29 -2.246 13.956 11.301 211 HH11 ARG 29 HH11 ARG 29 0.178 12.941 13.551 212 HH12 ARG 29 HH12 ARG 29 -0.788 13.336 14.925 213 HH21 ARG 29 HH21 ARG 29 -3.456 14.462 13.087 214 HH22 ARG 29 HH22 ARG 29 -2.817 14.182 14.667 215 H ILE 30 H ILE 30 2.446 9.492 8.205 216 HA ILE 30 HA ILE 30 0.548 7.524 9.382 217 HB ILE 30 HB ILE 30 0.334 6.478 7.150 218 HG12 ILE 30 HG12 ILE 30 2.010 8.843 6.143 219 HG13 ILE 30 HG11 ILE 30 2.531 7.163 6.181 220 HG21 ILE 30 HG21 ILE 30 -1.091 8.213 6.099 221 HG22 ILE 30 HG22 ILE 30 -0.375 9.444 7.139 222 HG23 ILE 30 HG23 ILE 30 -1.341 8.146 7.847 223 HD11 ILE 30 HD11 ILE 30 0.779 6.616 4.538 224 HD12 ILE 30 HD12 ILE 30 1.935 7.810 3.950 225 HD13 ILE 30 HD13 ILE 30 0.335 8.324 4.479 226 H THR 31 H THR 31 3.866 8.082 9.153 227 HA THR 31 HA THR 31 4.962 5.618 8.433 228 HB THR 31 HB THR 31 6.847 6.244 10.236 229 HG1 THR 31 HG1 THR 31 6.569 8.059 11.219 230 HG21 THR 31 HG21 THR 31 6.397 7.951 7.767 231 HG22 THR 31 HG22 THR 31 7.180 6.371 7.789 232 HG23 THR 31 HG23 THR 31 7.931 7.738 8.619 233 HA PRO 32 HA PRO 32 4.534 3.870 12.972 234 HB2 PRO 32 HB3 PRO 32 2.555 4.931 14.592 235 HB3 PRO 32 HB2 PRO 32 4.259 5.397 14.664 236 HG2 PRO 32 HG3 PRO 32 1.962 6.806 13.345 237 HG3 PRO 32 HG2 PRO 32 3.350 7.485 14.217 238 HD2 PRO 32 HD3 PRO 32 3.170 7.443 11.485 239 HD3 PRO 32 HD2 PRO 32 4.713 7.422 12.360 240 H TYR 33 H TYR 33 1.697 5.058 11.196 241 HA TYR 33 HA TYR 33 -0.071 2.889 11.707 242 HB2 TYR 33 HB2 TYR 33 -0.612 5.193 10.631 243 HB3 TYR 33 HB1 TYR 33 -0.050 4.493 9.123 244 HD1 TYR 33 HD1 TYR 33 -1.266 2.171 8.437 245 HD2 TYR 33 HD2 TYR 33 -2.891 5.040 11.161 246 HE1 TYR 33 HE1 TYR 33 -3.521 1.263 8.053 247 HE2 TYR 33 HE2 TYR 33 -5.136 4.125 10.775 248 HH TYR 33 HH TYR 33 -6.310 2.862 8.894 249 H LEU 34 H LEU 34 2.275 3.531 9.128 250 HA LEU 34 HA LEU 34 1.804 1.240 7.539 251 HB2 LEU 34 HB3 LEU 34 4.298 2.972 7.729 252 HB3 LEU 34 HB2 LEU 34 3.994 1.793 6.462 253 HG LEU 34 HG LEU 34 2.360 4.323 6.933 254 HD11 LEU 34 HD11 LEU 34 4.599 4.856 6.126 255 HD12 LEU 34 HD12 LEU 34 3.391 5.191 4.889 256 HD13 LEU 34 HD13 LEU 34 4.399 3.747 4.765 257 HD21 LEU 34 HD21 LEU 34 1.299 3.842 4.739 258 HD22 LEU 34 HD22 LEU 34 0.936 2.608 5.950 259 HD23 LEU 34 HD23 LEU 34 2.132 2.280 4.692 260 H ARG 35 H ARG 35 4.274 1.891 10.109 261 HA ARG 35 HA ARG 35 5.484 -0.705 9.908 262 HB2 ARG 35 HB3 ARG 35 6.737 -0.203 11.906 263 HB3 ARG 35 HB2 ARG 35 6.685 1.238 10.899 264 HG2 ARG 35 HG3 ARG 35 5.047 2.266 12.354 265 HG3 ARG 35 HG2 ARG 35 4.885 0.789 13.300 266 HD2 ARG 35 HD3 ARG 35 7.201 1.008 14.078 267 HD3 ARG 35 HD2 ARG 35 7.417 2.449 13.077 268 HE ARG 35 HE ARG 35 5.308 2.494 15.115 269 HH11 ARG 35 HH11 ARG 35 8.394 3.657 14.065 270 HH12 ARG 35 HH12 ARG 35 8.505 4.810 15.348 271 HH21 ARG 35 HH21 ARG 35 5.470 4.000 16.733 272 HH22 ARG 35 HH22 ARG 35 6.876 5.004 16.832 273 H GLN 36 H GLN 36 2.884 0.565 12.050 274 HA GLN 36 HA GLN 36 2.596 -1.741 13.683 275 HB2 GLN 36 HB3 GLN 36 1.598 0.447 14.260 276 HB3 GLN 36 HB2 GLN 36 0.494 0.319 12.897 277 HG2 GLN 36 HG3 GLN 36 -0.601 -1.621 13.938 278 HG3 GLN 36 HG2 GLN 36 0.535 -1.554 15.285 279 HE21 GLN 36 HE21 GLN 36 -2.144 0.091 13.719 280 HE22 GLN 36 HE22 GLN 36 -2.593 1.056 15.079 281 H CYS 37 H CYS 37 1.242 -0.912 10.531 282 HA CYS 37 HA CYS 37 -0.331 -3.339 10.275 283 HB2 CYS 37 HB3 CYS 37 -1.019 -1.190 9.199 284 HB3 CYS 37 HB2 CYS 37 0.390 -1.286 8.150 285 HG CYS 37 HG CYS 37 -0.432 -3.397 6.674 286 H LYS 38 H LYS 38 2.912 -2.967 10.296 287 HA LYS 38 HA LYS 38 4.656 -4.302 9.828 288 HB2 LYS 38 HB3 LYS 38 2.533 -6.291 8.918 289 HB3 LYS 38 HB2 LYS 38 4.236 -6.688 9.131 290 HG2 LYS 38 HG3 LYS 38 2.285 -5.834 11.305 291 HG3 LYS 38 HG2 LYS 38 2.967 -7.447 11.066 292 HD2 LYS 38 HD3 LYS 38 4.522 -4.938 11.827 293 HD3 LYS 38 HD2 LYS 38 4.083 -6.249 12.920 294 HE2 LYS 38 HE3 LYS 38 5.556 -7.796 11.728 295 HE3 LYS 38 HE2 LYS 38 5.890 -6.580 10.492 296 HZ1 LYS 38 HZ1 LYS 38 7.655 -6.798 12.178 297 HZ2 LYS 38 HZ2 LYS 38 6.570 -6.256 13.356 298 HZ3 LYS 38 HZ3 LYS 38 7.014 -5.235 12.083 299 H VAL 39 H VAL 39 3.524 -2.502 7.639 300 HA VAL 39 HA VAL 39 4.657 -3.847 5.259 301 HB VAL 39 HB VAL 39 3.475 -2.350 3.852 302 HG11 VAL 39 HG11 VAL 39 1.127 -2.660 4.502 303 HG12 VAL 39 HG12 VAL 39 1.606 -2.984 6.169 304 HG13 VAL 39 HG13 VAL 39 2.071 -4.102 4.885 305 HG21 VAL 39 HG21 VAL 39 2.186 -0.366 4.624 306 HG22 VAL 39 HG22 VAL 39 3.909 -0.204 4.960 307 HG23 VAL 39 HG23 VAL 39 2.796 -0.617 6.263 308 H LEU 40 H LEU 40 5.653 -1.681 7.642 309 HA LEU 40 HA LEU 40 7.807 -0.586 5.918 310 HB2 LEU 40 HB3 LEU 40 6.037 1.133 6.334 311 HB3 LEU 40 HB2 LEU 40 6.294 0.958 8.061 312 HG LEU 40 HG LEU 40 8.622 1.829 7.789 313 HD11 LEU 40 HD11 LEU 40 9.330 2.875 5.678 314 HD12 LEU 40 HD12 LEU 40 7.869 2.285 4.884 315 HD13 LEU 40 HD13 LEU 40 9.072 1.141 5.486 316 HD21 LEU 40 HD21 LEU 40 8.018 4.182 7.396 317 HD22 LEU 40 HD22 LEU 40 6.813 3.379 8.398 318 HD23 LEU 40 HD23 LEU 40 6.476 3.686 6.692 319 H ASN 41 H ASN 41 9.805 -0.620 6.767 320 HA ASN 41 HA ASN 41 10.244 -1.782 9.461 321 HB2 ASN 41 HB3 ASN 41 12.469 -2.483 8.559 322 HB3 ASN 41 HB2 ASN 41 11.141 -3.148 7.616 323 HD21 ASN 41 HD21 ASN 41 10.688 -2.215 5.559 324 HD22 ASN 41 HD22 ASN 41 11.904 -1.346 4.690 325 HA PRO 42 HA PRO 42 12.006 1.992 11.089 326 HB2 PRO 42 HB3 PRO 42 14.298 1.105 12.432 327 HB3 PRO 42 HB2 PRO 42 12.650 0.988 13.060 328 HG2 PRO 42 HG3 PRO 42 14.279 -1.095 11.609 329 HG3 PRO 42 HG2 PRO 42 13.281 -1.274 13.069 330 HD2 PRO 42 HD3 PRO 42 12.347 -2.078 10.701 331 HD3 PRO 42 HD2 PRO 42 11.265 -1.248 11.844 332 H ASP 43 H ASP 43 14.213 0.087 9.035 333 HA ASP 43 HA ASP 43 16.214 2.100 8.710 334 HB2 ASP 43 HB3 ASP 43 15.467 -0.292 6.989 335 HB3 ASP 43 HB2 ASP 43 16.823 0.764 6.608 336 H ASP 44 H ASP 44 13.564 1.111 6.481 337 HA ASP 44 HA ASP 44 13.802 3.388 4.769 338 HB2 ASP 44 HB3 ASP 44 11.619 1.305 5.118 339 HB3 ASP 44 HB2 ASP 44 11.472 2.619 3.948 340 H GLU 45 H GLU 45 12.043 2.844 7.740 341 HA GLU 45 HA GLU 45 10.228 5.040 7.533 342 HB2 GLU 45 HB3 GLU 45 9.849 3.158 9.085 343 HB3 GLU 45 HB2 GLU 45 11.280 3.609 10.005 344 HG2 GLU 45 HG3 GLU 45 10.242 5.674 10.732 345 HG3 GLU 45 HG2 GLU 45 8.860 5.406 9.672 346 H GLU 46 H GLU 46 13.256 4.693 9.462 347 HA GLU 46 HA GLU 46 13.508 7.353 10.344 348 HB2 GLU 46 HB3 GLU 46 14.742 5.310 11.222 349 HB3 GLU 46 HB2 GLU 46 15.794 5.392 9.821 350 HG2 GLU 46 HG3 GLU 46 15.549 7.657 11.828 351 HG3 GLU 46 HG2 GLU 46 16.678 6.328 12.041 352 H GLN 47 H GLN 47 14.698 5.755 7.430 353 HA GLN 47 HA GLN 47 16.245 7.622 6.138 354 HB2 GLN 47 HB3 GLN 47 15.733 5.325 5.336 355 HB3 GLN 47 HB2 GLN 47 14.108 5.837 4.907 356 HG2 GLN 47 HG3 GLN 47 15.035 7.353 3.194 357 HG3 GLN 47 HG2 GLN 47 16.667 6.861 3.638 358 HE21 GLN 47 HE21 GLN 47 13.870 4.709 3.353 359 HE22 GLN 47 HE22 GLN 47 14.482 3.807 2.022 360 H VAL 48 H VAL 48 12.692 7.543 6.260 361 HA VAL 48 HA VAL 48 12.370 9.985 4.696 362 HB VAL 48 HB VAL 48 10.297 8.326 6.204 363 HG11 VAL 48 HG11 VAL 48 9.899 10.532 4.144 364 HG12 VAL 48 HG12 VAL 48 9.487 10.614 5.859 365 HG13 VAL 48 HG13 VAL 48 8.620 9.505 4.797 366 HG21 VAL 48 HG21 VAL 48 9.695 7.399 3.979 367 HG22 VAL 48 HG22 VAL 48 11.365 7.020 4.405 368 HG23 VAL 48 HG23 VAL 48 11.021 8.303 3.242 369 H LEU 49 H LEU 49 12.048 8.994 8.114 370 HA LEU 49 HA LEU 49 11.007 11.439 9.155 371 HB2 LEU 49 HB3 LEU 49 12.431 9.159 10.577 372 HB3 LEU 49 HB2 LEU 49 11.628 10.485 11.406 373 HG LEU 49 HG LEU 49 10.277 8.382 9.664 374 HD11 LEU 49 HD11 LEU 49 9.215 7.612 11.723 375 HD12 LEU 49 HD12 LEU 49 10.115 8.808 12.663 376 HD13 LEU 49 HD13 LEU 49 10.971 7.502 11.839 377 HD21 LEU 49 HD21 LEU 49 8.141 9.399 10.350 378 HD22 LEU 49 HD22 LEU 49 9.121 10.517 9.407 379 HD23 LEU 49 HD23 LEU 49 9.015 10.704 11.159 380 H SER 50 H SER 50 14.182 10.629 8.184 381 HA SER 50 HA SER 50 15.744 12.156 9.976 382 HB2 SER 50 HB3 SER 50 16.682 10.411 8.482 383 HB3 SER 50 HB2 SER 50 16.386 11.451 7.087 384 HG SER 50 HG SER 50 18.579 11.458 8.096 385 H ASP 51 H ASP 51 13.834 13.221 7.230 386 HA ASP 51 HA ASP 51 14.666 16.022 7.724 387 HB2 ASP 51 HB3 ASP 51 14.218 14.875 4.929 388 HB3 ASP 51 HB2 ASP 51 14.548 16.563 5.303 389 HA PRO 52 HA PRO 52 10.032 15.998 7.726 390 HB2 PRO 52 HB3 PRO 52 9.623 17.015 10.208 391 HB3 PRO 52 HB2 PRO 52 9.923 15.293 9.947 392 HG2 PRO 52 HG3 PRO 52 11.826 17.428 10.884 393 HG3 PRO 52 HG2 PRO 52 11.631 15.765 11.477 394 HD2 PRO 52 HD3 PRO 52 13.603 16.564 9.689 395 HD3 PRO 52 HD2 PRO 52 13.005 14.898 9.831 396 H ASN 53 H ASN 53 12.201 18.565 9.108 397 HA ASN 53 HA ASN 53 10.315 20.665 8.698 398 HB2 ASN 53 HB3 ASN 53 12.034 20.708 10.490 399 HB3 ASN 53 HB2 ASN 53 13.296 20.848 9.273 400 HD21 ASN 53 HD21 ASN 53 10.580 22.494 10.778 401 HD22 ASN 53 HD22 ASN 53 11.049 24.088 10.312 402 H LEU 54 H LEU 54 13.090 19.519 6.807 403 HA LEU 54 HA LEU 54 13.172 21.727 4.969 404 HB2 LEU 54 HB3 LEU 54 14.368 18.937 4.775 405 HB3 LEU 54 HB2 LEU 54 14.719 20.245 3.655 406 HG LEU 54 HG LEU 54 15.415 20.211 6.624 407 HD11 LEU 54 HD11 LEU 54 17.235 20.008 4.203 408 HD12 LEU 54 HD12 LEU 54 16.845 18.706 5.329 409 HD13 LEU 54 HD13 LEU 54 17.754 20.107 5.888 410 HD21 LEU 54 HD21 LEU 54 16.619 22.328 6.202 411 HD22 LEU 54 HD22 LEU 54 14.891 22.497 5.915 412 HD23 LEU 54 HD23 LEU 54 16.000 22.357 4.548 413 H VAL 55 H VAL 55 12.724 21.668 2.696 414 HA VAL 55 HA VAL 55 10.162 20.675 1.938 415 HB VAL 55 HB VAL 55 12.337 21.738 0.073 416 HG11 VAL 55 HG11 VAL 55 9.306 21.748 -0.257 417 HG12 VAL 55 HG12 VAL 55 10.447 20.740 -1.148 418 HG13 VAL 55 HG13 VAL 55 10.463 22.488 -1.369 419 HG21 VAL 55 HG21 VAL 55 11.384 23.998 0.436 420 HG22 VAL 55 HG22 VAL 55 12.030 23.316 1.928 421 HG23 VAL 55 HG23 VAL 55 10.287 23.341 1.655 422 H ILE 56 H ILE 56 13.341 19.348 1.724 423 HA ILE 56 HA ILE 56 13.273 17.419 -0.260 424 HB ILE 56 HB ILE 56 14.524 17.162 2.518 425 HG12 ILE 56 HG12 ILE 56 15.730 18.261 -0.070 426 HG13 ILE 56 HG11 ILE 56 15.219 19.231 1.305 427 HG21 ILE 56 HG21 ILE 56 15.259 15.664 -0.031 428 HG22 ILE 56 HG22 ILE 56 14.493 14.969 1.399 429 HG23 ILE 56 HG23 ILE 56 16.142 15.584 1.496 430 HD11 ILE 56 HD11 ILE 56 17.479 17.232 1.284 431 HD12 ILE 56 HD12 ILE 56 16.968 18.190 2.675 432 HD13 ILE 56 HD13 ILE 56 17.622 18.989 1.247 433 H ARG 57 H ARG 57 11.587 17.382 2.837 434 HA ARG 57 HA ARG 57 10.724 14.811 3.244 435 HB2 ARG 57 HB3 ARG 57 10.070 16.773 4.645 436 HB3 ARG 57 HB2 ARG 57 8.995 17.325 3.367 437 HG2 ARG 57 HG3 ARG 57 7.897 14.904 3.709 438 HG3 ARG 57 HG2 ARG 57 8.658 15.035 5.293 439 HD2 ARG 57 HD3 ARG 57 6.607 16.940 4.100 440 HD3 ARG 57 HD2 ARG 57 6.335 15.777 5.399 441 HE ARG 57 HE ARG 57 8.388 17.660 6.029 442 HH11 ARG 57 HH11 ARG 57 4.964 17.200 6.119 443 HH12 ARG 57 HH12 ARG 57 4.734 18.464 7.272 444 HH21 ARG 57 HH21 ARG 57 8.037 19.273 7.502 445 HH22 ARG 57 HH22 ARG 57 6.431 19.615 8.031 446 H LYS 58 H LYS 58 9.210 17.170 1.005 447 HA LYS 58 HA LYS 58 7.081 15.590 0.060 448 HB2 LYS 58 HB3 LYS 58 7.060 18.006 -0.225 449 HB3 LYS 58 HB2 LYS 58 8.508 17.949 -1.223 450 HG2 LYS 58 HG3 LYS 58 7.283 16.809 -3.013 451 HG3 LYS 58 HG2 LYS 58 5.831 16.734 -2.011 452 HD2 LYS 58 HD3 LYS 58 7.163 19.303 -2.958 453 HD3 LYS 58 HD2 LYS 58 5.768 18.550 -3.736 454 HE2 LYS 58 HE3 LYS 58 4.464 18.845 -1.641 455 HE3 LYS 58 HE2 LYS 58 5.859 19.636 -0.895 456 HZ1 LYS 58 HZ1 LYS 58 4.264 21.228 -1.749 457 HZ2 LYS 58 HZ2 LYS 58 4.419 20.591 -3.309 458 HZ3 LYS 58 HZ3 LYS 58 5.737 21.357 -2.569 459 H ARG 59 H ARG 59 10.316 16.128 -1.337 460 HA ARG 59 HA ARG 59 10.113 14.468 -3.611 461 HB2 ARG 59 HB3 ARG 59 11.943 16.123 -3.208 462 HB3 ARG 59 HB2 ARG 59 12.589 15.083 -1.943 463 HG2 ARG 59 HG3 ARG 59 13.038 13.319 -3.628 464 HG3 ARG 59 HG2 ARG 59 12.390 14.369 -4.893 465 HD2 ARG 59 HD3 ARG 59 14.181 16.021 -4.424 466 HD3 ARG 59 HD2 ARG 59 14.823 14.954 -3.167 467 HE ARG 59 HE ARG 59 14.615 13.833 -5.851 468 HH11 ARG 59 HH11 ARG 59 16.716 15.286 -3.508 469 HH12 ARG 59 HH12 ARG 59 18.138 14.748 -4.323 470 HH21 ARG 59 HH21 ARG 59 16.451 13.208 -6.866 471 HH22 ARG 59 HH22 ARG 59 17.993 13.606 -6.199 472 H LYS 60 H LYS 60 11.015 13.769 -0.260 473 HA LYS 60 HA LYS 60 11.607 10.997 -0.692 474 HB2 LYS 60 HB3 LYS 60 11.252 12.540 1.892 475 HB3 LYS 60 HB2 LYS 60 11.701 10.835 1.814 476 HG2 LYS 60 HG3 LYS 60 13.675 11.613 0.320 477 HG3 LYS 60 HG2 LYS 60 13.305 13.240 0.897 478 HD2 LYS 60 HD3 LYS 60 14.112 10.838 2.583 479 HD3 LYS 60 HD2 LYS 60 15.093 12.266 2.244 480 HE2 LYS 60 HE3 LYS 60 13.484 13.660 3.513 481 HE3 LYS 60 HE2 LYS 60 12.509 12.226 3.850 482 HZ1 LYS 60 HZ1 LYS 60 15.273 12.770 4.776 483 HZ2 LYS 60 HZ2 LYS 60 14.501 11.283 4.952 484 HZ3 LYS 60 HZ3 LYS 60 13.874 12.649 5.714 485 H VAL 61 H VAL 61 8.576 12.682 0.008 486 HA VAL 61 HA VAL 61 7.048 10.349 0.620 487 HB VAL 61 HB VAL 61 5.952 12.654 -1.062 488 HG11 VAL 61 HG11 VAL 61 4.549 10.741 0.844 489 HG12 VAL 61 HG12 VAL 61 4.483 10.678 -0.918 490 HG13 VAL 61 HG13 VAL 61 3.775 12.047 -0.060 491 HG21 VAL 61 HG21 VAL 61 5.246 13.758 1.030 492 HG22 VAL 61 HG22 VAL 61 7.002 13.654 0.892 493 HG23 VAL 61 HG23 VAL 61 6.137 12.546 1.953 494 H GLY 62 H GLY 62 8.057 11.818 -2.480 495 HA2 GLY 62 HA3 GLY 62 6.929 9.914 -4.267 496 HA3 GLY 62 HA2 GLY 62 8.305 10.953 -4.603 497 H VAL 63 H VAL 63 10.155 10.065 -2.734 498 HA VAL 63 HA VAL 63 11.218 7.607 -3.639 499 HB VAL 63 HB VAL 63 11.680 9.077 -0.999 500 HG11 VAL 63 HG11 VAL 63 12.362 6.743 -0.692 501 HG12 VAL 63 HG12 VAL 63 13.787 7.777 -0.768 502 HG13 VAL 63 HG13 VAL 63 13.333 6.799 -2.165 503 HG21 VAL 63 HG21 VAL 63 12.297 10.396 -2.993 504 HG22 VAL 63 HG22 VAL 63 13.328 9.082 -3.565 505 HG23 VAL 63 HG23 VAL 63 13.735 9.940 -2.077 506 H LEU 64 H LEU 64 9.062 8.358 -0.911 507 HA LEU 64 HA LEU 64 9.050 5.798 0.305 508 HB2 LEU 64 HB3 LEU 64 8.304 7.847 1.502 509 HB3 LEU 64 HB2 LEU 64 6.909 7.955 0.443 510 HG LEU 64 HG LEU 64 6.115 5.726 1.346 511 HD11 LEU 64 HD11 LEU 64 8.345 6.046 3.377 512 HD12 LEU 64 HD12 LEU 64 8.240 4.806 2.124 513 HD13 LEU 64 HD13 LEU 64 7.055 4.842 3.425 514 HD21 LEU 64 HD21 LEU 64 5.158 7.815 2.200 515 HD22 LEU 64 HD22 LEU 64 6.418 7.908 3.431 516 HD23 LEU 64 HD23 LEU 64 5.244 6.591 3.466 517 H LEU 65 H LEU 65 7.114 7.180 -2.336 518 HA LEU 65 HA LEU 65 5.152 5.163 -2.569 519 HB2 LEU 65 HB3 LEU 65 6.376 6.917 -4.731 520 HB3 LEU 65 HB2 LEU 65 4.942 5.925 -4.964 521 HG LEU 65 HG LEU 65 5.177 8.290 -3.052 522 HD11 LEU 65 HD11 LEU 65 5.098 9.013 -5.388 523 HD12 LEU 65 HD12 LEU 65 3.611 9.444 -4.548 524 HD13 LEU 65 HD13 LEU 65 3.631 8.068 -5.654 525 HD21 LEU 65 HD21 LEU 65 3.674 6.589 -2.127 526 HD22 LEU 65 HD22 LEU 65 2.757 6.546 -3.635 527 HD23 LEU 65 HD23 LEU 65 2.764 8.007 -2.645 528 H ASP 66 H ASP 66 8.463 5.333 -3.865 529 HA ASP 66 HA ASP 66 8.405 2.863 -5.318 530 HB2 ASP 66 HB3 ASP 66 10.084 4.739 -5.685 531 HB3 ASP 66 HB2 ASP 66 10.863 4.276 -4.177 532 H ILE 67 H ILE 67 9.489 3.750 -2.023 533 HA ILE 67 HA ILE 67 10.275 1.229 -1.040 534 HB ILE 67 HB ILE 67 8.920 3.512 0.486 535 HG12 ILE 67 HG12 ILE 67 11.907 2.915 0.173 536 HG13 ILE 67 HG11 ILE 67 11.036 4.199 -0.660 537 HG21 ILE 67 HG21 ILE 67 10.532 1.191 1.621 538 HG22 ILE 67 HG22 ILE 67 8.792 1.433 1.794 539 HG23 ILE 67 HG23 ILE 67 9.917 2.563 2.545 540 HD11 ILE 67 HD11 ILE 67 12.308 5.087 1.192 541 HD12 ILE 67 HD12 ILE 67 11.501 3.999 2.319 542 HD13 ILE 67 HD13 ILE 67 10.584 5.274 1.513 543 H LEU 68 H LEU 68 7.088 2.719 -1.296 544 HA LEU 68 HA LEU 68 5.626 0.743 0.155 545 HB2 LEU 68 HB3 LEU 68 4.783 3.051 -1.603 546 HB3 LEU 68 HB2 LEU 68 3.604 1.941 -0.922 547 HG LEU 68 HG LEU 68 5.512 3.654 0.722 548 HD11 LEU 68 HD11 LEU 68 3.558 5.028 1.286 549 HD12 LEU 68 HD12 LEU 68 2.563 4.084 0.174 550 HD13 LEU 68 HD13 LEU 68 3.898 5.060 -0.444 551 HD21 LEU 68 HD21 LEU 68 4.895 1.583 1.894 552 HD22 LEU 68 HD22 LEU 68 3.181 1.917 1.626 553 HD23 LEU 68 HD23 LEU 68 4.139 2.980 2.659 554 H GLN 69 H GLN 69 6.320 1.321 -3.285 555 HA GLN 69 HA GLN 69 4.732 -0.745 -4.387 556 HB2 GLN 69 HB3 GLN 69 5.776 1.007 -5.769 557 HB3 GLN 69 HB2 GLN 69 7.379 0.403 -5.365 558 HG2 GLN 69 HG3 GLN 69 6.795 -1.744 -6.524 559 HG3 GLN 69 HG2 GLN 69 5.269 -1.011 -7.023 560 HE21 GLN 69 HE21 GLN 69 5.816 -1.220 -9.205 561 HE22 GLN 69 HE22 GLN 69 6.993 -0.226 -9.968 562 H ARG 70 H ARG 70 8.105 -0.760 -3.221 563 HA ARG 70 HA ARG 70 8.888 -3.393 -3.696 564 HB2 ARG 70 HB3 ARG 70 9.597 -1.457 -1.470 565 HB3 ARG 70 HB2 ARG 70 10.375 -3.032 -1.598 566 HG2 ARG 70 HG3 ARG 70 11.459 -2.475 -3.628 567 HG3 ARG 70 HG2 ARG 70 10.408 -1.086 -3.916 568 HD2 ARG 70 HD3 ARG 70 12.785 -0.560 -3.141 569 HD3 ARG 70 HD2 ARG 70 11.479 0.220 -2.245 570 HE ARG 70 HE ARG 70 12.580 -2.274 -1.161 571 HH11 ARG 70 HH11 ARG 70 12.467 1.181 -0.942 572 HH12 ARG 70 HH12 ARG 70 13.043 1.191 0.688 573 HH21 ARG 70 HH21 ARG 70 13.313 -2.203 0.927 574 HH22 ARG 70 HH22 ARG 70 13.514 -0.677 1.719 575 H THR 71 H THR 71 6.854 -2.146 -1.090 576 HA THR 71 HA THR 71 6.485 -4.863 0.069 577 HB THR 71 HB THR 71 7.271 -3.123 1.655 578 HG1 THR 71 HG1 THR 71 5.537 -3.401 3.187 579 HG21 THR 71 HG21 THR 71 5.824 -1.256 2.341 580 HG22 THR 71 HG22 THR 71 4.651 -1.685 1.096 581 HG23 THR 71 HG23 THR 71 6.256 -1.113 0.634 582 H GLY 72 H GLY 72 5.141 -3.575 -2.380 583 HA2 GLY 72 HA3 GLY 72 2.801 -2.216 -1.776 584 HA3 GLY 72 HA2 GLY 72 3.199 -2.902 -3.325 585 H HIS 73 H HIS 73 3.038 -5.713 -1.963 586 HA HIS 73 HA HIS 73 0.351 -6.248 -2.744 587 HB2 HIS 73 HB2 HIS 73 2.261 -7.946 -1.067 588 HB3 HIS 73 HB1 HIS 73 0.761 -8.533 -1.789 589 HD1 HIS 73 HD1 HIS 73 4.270 -8.275 -2.469 590 HD2 HIS 73 HD2 HIS 73 0.816 -8.189 -4.768 591 HE1 HIS 73 HE1 HIS 73 5.017 -8.738 -4.807 592 HE2 HIS 73 HE2 HIS 73 2.887 -8.952 -6.106 593 H LYS 74 H LYS 74 1.797 -6.263 0.522 594 HA LYS 74 HA LYS 74 -0.760 -5.859 1.867 595 HB2 LYS 74 HB3 LYS 74 0.683 -5.776 3.939 596 HB3 LYS 74 HB2 LYS 74 0.859 -7.251 2.998 597 HG2 LYS 74 HG3 LYS 74 2.957 -6.380 2.014 598 HG3 LYS 74 HG2 LYS 74 2.787 -4.903 2.967 599 HD2 LYS 74 HD3 LYS 74 3.001 -6.199 5.047 600 HD3 LYS 74 HD2 LYS 74 3.107 -7.702 4.122 601 HE2 LYS 74 HE3 LYS 74 5.199 -6.896 3.081 602 HE3 LYS 74 HE2 LYS 74 5.088 -5.403 4.010 603 HZ1 LYS 74 HZ1 LYS 74 5.254 -6.735 6.034 604 HZ2 LYS 74 HZ2 LYS 74 6.609 -6.914 5.039 605 HZ3 LYS 74 HZ3 LYS 74 5.438 -8.133 5.102 606 H GLY 75 H GLY 75 1.856 -3.916 0.671 607 HA2 GLY 75 HA3 GLY 75 1.743 -1.681 2.431 608 HA3 GLY 75 HA2 GLY 75 2.574 -1.756 0.888 609 H TYR 76 H TYR 76 0.396 -2.219 -0.824 610 HA TYR 76 HA TYR 76 -0.726 0.325 -1.269 611 HB2 TYR 76 HB2 TYR 76 -0.463 -1.371 -3.060 612 HB3 TYR 76 HB1 TYR 76 -1.660 -2.400 -2.285 613 HD1 TYR 76 HD1 TYR 76 -3.925 -2.243 -2.990 614 HD2 TYR 76 HD2 TYR 76 -1.290 1.031 -3.774 615 HE1 TYR 76 HE1 TYR 76 -5.700 -1.119 -4.271 616 HE2 TYR 76 HE2 TYR 76 -3.061 2.145 -5.050 617 HH TYR 76 HH TYR 76 -6.276 1.267 -4.904 618 H VAL 77 H VAL 77 -2.109 -2.601 0.177 619 HA VAL 77 HA VAL 77 -4.717 -1.700 0.711 620 HB VAL 77 HB VAL 77 -3.102 -3.763 2.285 621 HG11 VAL 77 HG11 VAL 77 -5.300 -4.733 2.920 622 HG12 VAL 77 HG12 VAL 77 -6.123 -3.410 2.090 623 HG13 VAL 77 HG13 VAL 77 -5.128 -3.077 3.508 624 HG21 VAL 77 HG21 VAL 77 -4.901 -4.175 -0.140 625 HG22 VAL 77 HG22 VAL 77 -4.119 -5.458 0.787 626 HG23 VAL 77 HG23 VAL 77 -3.140 -4.305 -0.120 627 H ALA 78 H ALA 78 -1.870 -1.831 2.886 628 HA ALA 78 HA ALA 78 -2.991 -0.558 5.141 629 HB1 ALA 78 HB1 ALA 78 -0.682 -0.262 5.907 630 HB2 ALA 78 HB2 ALA 78 -0.084 -0.619 4.282 631 HB3 ALA 78 HB3 ALA 78 -0.911 -1.868 5.212 632 H PHE 79 H PHE 79 -1.376 0.791 2.291 633 HA PHE 79 HA PHE 79 -1.111 3.471 3.184 634 HB2 PHE 79 HB2 PHE 79 0.035 2.412 1.151 635 HB3 PHE 79 HB1 PHE 79 -1.491 2.583 0.290 636 HD1 PHE 79 HD1 PHE 79 -1.250 4.322 -1.315 637 HD2 PHE 79 HD2 PHE 79 0.402 4.848 2.595 638 HE1 PHE 79 HE1 PHE 79 -0.571 6.620 -1.901 639 HE2 PHE 79 HE2 PHE 79 1.071 7.120 2.012 640 HZ PHE 79 HZ PHE 79 0.590 8.026 -0.237 641 H LEU 80 H LEU 80 -3.663 1.829 1.279 642 HA LEU 80 HA LEU 80 -5.449 4.021 1.082 643 HB2 LEU 80 HB3 LEU 80 -6.040 1.046 1.084 644 HB3 LEU 80 HB2 LEU 80 -7.198 2.292 0.640 645 HG LEU 80 HG LEU 80 -4.659 1.553 -0.859 646 HD11 LEU 80 HD11 LEU 80 -6.217 0.908 -2.655 647 HD12 LEU 80 HD12 LEU 80 -7.584 1.279 -1.603 648 HD13 LEU 80 HD13 LEU 80 -6.470 -0.025 -1.183 649 HD21 LEU 80 HD21 LEU 80 -5.296 3.240 -2.547 650 HD22 LEU 80 HD22 LEU 80 -4.940 3.986 -0.993 651 HD23 LEU 80 HD23 LEU 80 -6.617 3.791 -1.510 652 H GLU 81 H GLU 81 -5.149 1.488 3.585 653 HA GLU 81 HA GLU 81 -7.395 2.130 5.172 654 HB2 GLU 81 HB3 GLU 81 -4.723 0.892 5.963 655 HB3 GLU 81 HB2 GLU 81 -6.104 0.998 7.052 656 HG2 GLU 81 HG3 GLU 81 -5.979 -0.567 4.455 657 HG3 GLU 81 HG2 GLU 81 -5.905 -1.233 6.083 658 H SER 82 H SER 82 -4.036 3.358 5.280 659 HA SER 82 HA SER 82 -4.407 5.067 7.543 660 HB2 SER 82 HB3 SER 82 -2.251 6.083 6.950 661 HB3 SER 82 HB2 SER 82 -2.146 4.334 6.804 662 HG SER 82 HG SER 82 -1.942 4.502 4.690 663 H LEU 83 H LEU 83 -4.534 5.679 4.006 664 HA LEU 83 HA LEU 83 -4.986 8.475 4.200 665 HB2 LEU 83 HB3 LEU 83 -5.690 6.585 1.931 666 HB3 LEU 83 HB2 LEU 83 -5.747 8.340 1.823 667 HG LEU 83 HG LEU 83 -3.291 6.586 2.139 668 HD11 LEU 83 HD11 LEU 83 -4.090 8.535 -0.032 669 HD12 LEU 83 HD12 LEU 83 -4.066 6.771 -0.144 670 HD13 LEU 83 HD13 LEU 83 -2.556 7.662 0.052 671 HD21 LEU 83 HD21 LEU 83 -3.389 9.610 2.372 672 HD22 LEU 83 HD22 LEU 83 -1.924 8.634 2.243 673 HD23 LEU 83 HD23 LEU 83 -2.967 8.463 3.649 674 H GLU 84 H GLU 84 -7.274 5.750 4.194 675 HA GLU 84 HA GLU 84 -9.639 7.261 3.779 676 HB2 GLU 84 HB3 GLU 84 -9.304 4.706 3.660 677 HB3 GLU 84 HB2 GLU 84 -9.502 4.691 5.406 678 HG2 GLU 84 HG3 GLU 84 -11.615 5.853 3.564 679 HG3 GLU 84 HG2 GLU 84 -11.536 4.132 3.897 680 H LEU 85 H LEU 85 -7.742 6.645 6.684 681 HA LEU 85 HA LEU 85 -9.702 7.849 8.490 682 HB2 LEU 85 HB3 LEU 85 -6.953 6.656 8.979 683 HB3 LEU 85 HB2 LEU 85 -7.986 7.293 10.254 684 HG LEU 85 HG LEU 85 -8.647 4.913 8.462 685 HD11 LEU 85 HD11 LEU 85 -7.861 4.980 11.390 686 HD12 LEU 85 HD12 LEU 85 -6.900 4.349 10.050 687 HD13 LEU 85 HD13 LEU 85 -8.403 3.550 10.504 688 HD21 LEU 85 HD21 LEU 85 -10.615 4.580 9.927 689 HD22 LEU 85 HD22 LEU 85 -10.694 6.113 9.067 690 HD23 LEU 85 HD23 LEU 85 -10.244 6.085 10.775 691 H TYR 86 H TYR 86 -6.523 8.702 7.113 692 HA TYR 86 HA TYR 86 -6.315 11.127 8.748 693 HB2 TYR 86 HB2 TYR 86 -4.381 9.775 6.833 694 HB3 TYR 86 HB1 TYR 86 -4.062 11.375 7.495 695 HD1 TYR 86 HD1 TYR 86 -3.736 11.657 9.978 696 HD2 TYR 86 HD2 TYR 86 -4.046 7.782 8.214 697 HE1 TYR 86 HE1 TYR 86 -2.771 10.654 12.002 698 HE2 TYR 86 HE2 TYR 86 -3.083 6.780 10.236 699 HH TYR 86 HH TYR 86 -2.781 8.450 13.155 700 H TYR 87 H TYR 87 -6.411 10.359 5.228 701 HA TYR 87 HA TYR 87 -7.335 13.141 4.666 702 HB2 TYR 87 HB2 TYR 87 -5.479 11.455 2.908 703 HB3 TYR 87 HB1 TYR 87 -6.062 13.069 2.528 704 HD1 TYR 87 HD1 TYR 87 -3.505 11.154 4.274 705 HD2 TYR 87 HD2 TYR 87 -5.294 15.030 3.966 706 HE1 TYR 87 HE1 TYR 87 -1.562 12.144 5.422 707 HE2 TYR 87 HE2 TYR 87 -3.348 16.010 5.105 708 HH TYR 87 HH TYR 87 -0.449 14.445 5.518 709 HA PRO 88 HA PRO 88 -10.329 9.715 3.322 710 HB2 PRO 88 HB3 PRO 88 -12.487 11.594 4.132 711 HB3 PRO 88 HB2 PRO 88 -12.199 9.927 4.651 712 HG2 PRO 88 HG3 PRO 88 -11.755 12.009 6.316 713 HG3 PRO 88 HG2 PRO 88 -10.728 10.558 6.347 714 HD2 PRO 88 HD3 PRO 88 -10.183 13.239 5.063 715 HD3 PRO 88 HD2 PRO 88 -9.095 12.213 6.027 716 H GLN 89 H GLN 89 -10.789 13.185 2.756 717 HA GLN 89 HA GLN 89 -12.513 12.985 0.507 718 HB2 GLN 89 HB3 GLN 89 -10.707 15.291 1.355 719 HB3 GLN 89 HB2 GLN 89 -12.019 15.398 0.183 720 HG2 GLN 89 HG3 GLN 89 -13.641 14.820 1.964 721 HG3 GLN 89 HG2 GLN 89 -12.323 14.756 3.133 722 HE21 GLN 89 HE21 GLN 89 -13.131 16.427 4.401 723 HE22 GLN 89 HE22 GLN 89 -13.177 18.070 3.878 724 H LEU 90 H LEU 90 -8.985 13.222 0.835 725 HA LEU 90 HA LEU 90 -8.463 13.393 -1.988 726 HB2 LEU 90 HB3 LEU 90 -6.853 14.227 -0.255 727 HB3 LEU 90 HB2 LEU 90 -6.542 12.562 0.217 728 HG LEU 90 HG LEU 90 -5.663 12.083 -2.076 729 HD11 LEU 90 HD11 LEU 90 -5.242 13.899 -3.656 730 HD12 LEU 90 HD12 LEU 90 -6.077 15.038 -2.598 731 HD13 LEU 90 HD13 LEU 90 -6.966 13.708 -3.348 732 HD21 LEU 90 HD21 LEU 90 -3.551 13.310 -1.888 733 HD22 LEU 90 HD22 LEU 90 -4.085 12.722 -0.315 734 HD23 LEU 90 HD23 LEU 90 -4.288 14.424 -0.733 735 H TYR 91 H TYR 91 -8.418 10.776 0.424 736 HA TYR 91 HA TYR 91 -7.736 8.566 -1.103 737 HB2 TYR 91 HB2 TYR 91 -8.082 8.337 1.290 738 HB3 TYR 91 HB1 TYR 91 -9.766 8.827 1.157 739 HD1 TYR 91 HD1 TYR 91 -11.479 7.169 0.827 740 HD2 TYR 91 HD2 TYR 91 -7.385 6.086 0.225 741 HE1 TYR 91 HE1 TYR 91 -12.137 4.813 0.583 742 HE2 TYR 91 HE2 TYR 91 -8.057 3.735 -0.015 743 HH TYR 91 HH TYR 91 -9.933 2.269 0.664 744 H LYS 92 H LYS 92 -10.918 10.142 -0.793 745 HA LYS 92 HA LYS 92 -12.330 8.640 -2.720 746 HB2 LYS 92 HB3 LYS 92 -12.665 11.476 -1.674 747 HB3 LYS 92 HB2 LYS 92 -13.740 10.827 -2.914 748 HG2 LYS 92 HG3 LYS 92 -13.368 9.788 -0.090 749 HG3 LYS 92 HG2 LYS 92 -14.775 10.647 -0.728 750 HD2 LYS 92 HD3 LYS 92 -13.820 7.868 -1.539 751 HD3 LYS 92 HD2 LYS 92 -15.240 8.249 -0.565 752 HE2 LYS 92 HE3 LYS 92 -14.846 8.997 -3.490 753 HE3 LYS 92 HE2 LYS 92 -15.855 7.682 -2.890 754 HZ1 LYS 92 HZ1 LYS 92 -16.263 10.574 -2.380 755 HZ2 LYS 92 HZ2 LYS 92 -17.206 9.336 -1.733 756 HZ3 LYS 92 HZ3 LYS 92 -17.184 9.593 -3.403 757 H LYS 93 H LYS 93 -10.649 11.807 -3.126 758 HA LYS 93 HA LYS 93 -11.225 12.227 -5.821 759 HB2 LYS 93 HB3 LYS 93 -8.945 13.259 -4.112 760 HB3 LYS 93 HB2 LYS 93 -9.201 13.816 -5.763 761 HG2 LYS 93 HG3 LYS 93 -11.234 14.057 -3.519 762 HG3 LYS 93 HG2 LYS 93 -10.146 15.348 -4.038 763 HD2 LYS 93 HD3 LYS 93 -11.207 15.425 -6.236 764 HD3 LYS 93 HD2 LYS 93 -12.190 14.010 -5.857 765 HE2 LYS 93 HE3 LYS 93 -12.389 16.693 -4.445 766 HE3 LYS 93 HE2 LYS 93 -13.478 16.119 -5.709 767 HZ1 LYS 93 HZ1 LYS 93 -14.454 15.733 -3.573 768 HZ2 LYS 93 HZ2 LYS 93 -13.088 14.904 -3.030 769 HZ3 LYS 93 HZ3 LYS 93 -14.051 14.236 -4.254 770 H VAL 94 H VAL 94 -8.638 10.230 -4.497 771 HA VAL 94 HA VAL 94 -7.221 10.056 -7.056 772 HB VAL 94 HB VAL 94 -5.528 8.742 -5.870 773 HG11 VAL 94 HG11 VAL 94 -6.354 11.227 -4.313 774 HG12 VAL 94 HG12 VAL 94 -5.367 11.192 -5.776 775 HG13 VAL 94 HG13 VAL 94 -4.755 10.482 -4.285 776 HG21 VAL 94 HG21 VAL 94 -5.679 8.281 -3.430 777 HG22 VAL 94 HG22 VAL 94 -6.955 7.450 -4.317 778 HG23 VAL 94 HG23 VAL 94 -7.327 8.914 -3.407 779 H THR 95 H THR 95 -9.763 8.330 -5.573 780 HA THR 95 HA THR 95 -9.358 5.986 -7.370 781 HB THR 95 HB THR 95 -10.683 4.613 -5.781 782 HG1 THR 95 HG1 THR 95 -10.513 6.387 -3.675 783 HG21 THR 95 HG21 THR 95 -9.038 4.427 -3.947 784 HG22 THR 95 HG22 THR 95 -8.353 5.992 -4.390 785 HG23 THR 95 HG23 THR 95 -8.219 4.629 -5.502 786 H GLY 96 H GLY 96 -11.233 8.716 -6.894 787 HA2 GLY 96 HA3 GLY 96 -13.108 8.475 -8.868 788 HA3 GLY 96 HA2 GLY 96 -13.883 7.691 -7.496 789 H LYS 97 H LYS 97 -13.045 10.694 -8.941 790 HA LYS 97 HA LYS 97 -12.647 12.464 -6.888 791 HB2 LYS 97 HB3 LYS 97 -13.469 14.259 -8.529 792 HB3 LYS 97 HB2 LYS 97 -12.163 13.214 -9.070 793 HG2 LYS 97 HG3 LYS 97 -13.753 11.889 -10.403 794 HG3 LYS 97 HG2 LYS 97 -15.088 12.904 -9.856 795 HD2 LYS 97 HD3 LYS 97 -12.698 13.889 -11.477 796 HD3 LYS 97 HD2 LYS 97 -14.272 13.476 -12.159 797 HE2 LYS 97 HE3 LYS 97 -15.321 15.272 -10.819 798 HE3 LYS 97 HE2 LYS 97 -13.748 15.682 -10.134 799 HZ1 LYS 97 HZ1 LYS 97 -14.367 17.147 -11.951 800 HZ2 LYS 97 HZ2 LYS 97 -14.448 15.833 -13.015 801 HZ3 LYS 97 HZ3 LYS 97 -12.967 16.274 -12.326 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -11.628 -10.242 -19.539 2 H2 MET 1 HT2 MET 1 -10.032 -10.641 -19.139 3 H3 MET 1 HT3 MET 1 -10.876 -11.556 -20.290 4 HA MET 1 HA MET 1 -9.268 -10.067 -21.318 5 HB2 MET 1 HB2 MET 1 -12.194 -9.411 -21.871 6 HB3 MET 1 HB1 MET 1 -10.875 -8.926 -22.927 7 HG2 MET 1 HG2 MET 1 -11.964 -10.874 -23.834 8 HG3 MET 1 HG1 MET 1 -10.341 -11.326 -23.304 9 HE1 MET 1 HE1 MET 1 -11.155 -13.949 -23.467 10 HE2 MET 1 HE2 MET 1 -12.755 -13.391 -23.956 11 HE3 MET 1 HE3 MET 1 -12.589 -14.540 -22.629 12 H SER 2 H SER 2 -8.317 -8.081 -21.465 13 HA SER 2 HA SER 2 -7.534 -6.071 -20.799 14 HB2 SER 2 HB3 SER 2 -9.585 -5.332 -22.064 15 HB3 SER 2 HB2 SER 2 -10.464 -5.261 -20.536 16 HG SER 2 HG SER 2 -8.929 -3.689 -19.832 17 H ASP 3 H ASP 3 -7.541 -7.953 -18.804 18 HA ASP 3 HA ASP 3 -8.766 -7.183 -16.345 19 HB2 ASP 3 HB3 ASP 3 -6.382 -9.037 -16.783 20 HB3 ASP 3 HB2 ASP 3 -7.420 -8.986 -15.360 21 H TYR 4 H TYR 4 -8.197 -5.490 -15.092 22 HA TYR 4 HA TYR 4 -5.373 -4.535 -15.057 23 HB2 TYR 4 HB2 TYR 4 -6.252 -2.221 -14.889 24 HB3 TYR 4 HB1 TYR 4 -6.739 -3.007 -16.382 25 HD1 TYR 4 HD1 TYR 4 -7.923 -1.570 -13.210 26 HD2 TYR 4 HD2 TYR 4 -9.145 -3.608 -16.756 27 HE1 TYR 4 HE1 TYR 4 -10.258 -0.971 -12.748 28 HE2 TYR 4 HE2 TYR 4 -11.487 -3.010 -16.291 29 HH TYR 4 HH TYR 4 -12.881 -2.413 -14.343 30 H GLU 5 H GLU 5 -7.093 -6.284 -13.200 31 HA GLU 5 HA GLU 5 -7.385 -4.796 -10.724 32 HB2 GLU 5 HB3 GLU 5 -7.670 -7.780 -11.316 33 HB3 GLU 5 HB2 GLU 5 -8.054 -7.035 -9.772 34 HG2 GLU 5 HG3 GLU 5 -10.101 -7.441 -10.980 35 HG3 GLU 5 HG2 GLU 5 -9.837 -5.704 -10.863 36 H ASN 6 H ASN 6 -4.780 -6.263 -12.256 37 HA ASN 6 HA ASN 6 -3.186 -7.424 -10.307 38 HB2 ASN 6 HB3 ASN 6 -2.669 -7.504 -12.687 39 HB3 ASN 6 HB2 ASN 6 -2.472 -5.757 -12.757 40 HD21 ASN 6 HD21 ASN 6 -1.003 -8.767 -11.747 41 HD22 ASN 6 HD22 ASN 6 0.575 -8.122 -11.493 42 H ASP 7 H ASP 7 -1.655 -6.674 -8.808 43 HA ASP 7 HA ASP 7 -2.170 -4.373 -7.332 44 HB2 ASP 7 HB3 ASP 7 0.470 -5.887 -7.494 45 HB3 ASP 7 HB2 ASP 7 -0.003 -4.797 -6.194 46 H ASP 8 H ASP 8 0.425 -4.894 -9.725 47 HA ASP 8 HA ASP 8 1.716 -2.378 -9.543 48 HB2 ASP 8 HB3 ASP 8 1.617 -4.285 -11.928 49 HB3 ASP 8 HB2 ASP 8 2.820 -3.022 -11.662 50 H GLU 9 H GLU 9 -0.896 -3.576 -11.631 51 HA GLU 9 HA GLU 9 -1.082 -1.295 -13.328 52 HB2 GLU 9 HB3 GLU 9 -2.164 -3.856 -13.388 53 HB3 GLU 9 HB2 GLU 9 -3.583 -2.901 -13.000 54 HG2 GLU 9 HG3 GLU 9 -1.812 -2.678 -15.451 55 HG3 GLU 9 HG2 GLU 9 -3.494 -3.198 -15.381 56 H CYS 10 H CYS 10 -2.690 -2.153 -10.276 57 HA CYS 10 HA CYS 10 -4.437 0.157 -10.248 58 HB2 CYS 10 HB3 CYS 10 -4.980 -1.990 -9.052 59 HB3 CYS 10 HB2 CYS 10 -3.702 -1.623 -7.892 60 HG CYS 10 HG CYS 10 -5.101 1.030 -7.556 61 H TRP 11 H TRP 11 -1.208 -0.576 -9.054 62 HA TRP 11 HA TRP 11 -0.795 1.964 -7.747 63 HB2 TRP 11 HB2 TRP 11 1.009 -0.323 -8.535 64 HB3 TRP 11 HB1 TRP 11 1.746 1.233 -8.179 65 HD1 TRP 11 HD1 TRP 11 0.756 -1.868 -6.429 66 HE1 TRP 11 HE1 TRP 11 0.751 -1.495 -3.882 67 HE3 TRP 11 HE3 TRP 11 0.956 3.256 -6.333 68 HZ2 TRP 11 HZ2 TRP 11 0.816 0.667 -2.077 69 HZ3 TRP 11 HZ3 TRP 11 0.976 4.397 -4.151 70 HH2 TRP 11 HH2 TRP 11 0.906 3.125 -2.065 71 H SER 12 H SER 12 -0.809 0.950 -11.065 72 HA SER 12 HA SER 12 0.598 3.241 -12.112 73 HB2 SER 12 HB3 SER 12 0.370 1.200 -13.478 74 HB3 SER 12 HB2 SER 12 -1.383 1.386 -13.497 75 HG SER 12 HG SER 12 -1.222 2.957 -14.928 76 H VAL 13 H VAL 13 -2.899 2.460 -11.632 77 HA VAL 13 HA VAL 13 -4.068 4.953 -12.178 78 HB VAL 13 HB VAL 13 -4.727 2.930 -9.981 79 HG11 VAL 13 HG11 VAL 13 -6.349 5.422 -10.669 80 HG12 VAL 13 HG12 VAL 13 -5.515 5.110 -9.137 81 HG13 VAL 13 HG13 VAL 13 -6.898 4.115 -9.612 82 HG21 VAL 13 HG21 VAL 13 -6.665 2.364 -11.420 83 HG22 VAL 13 HG22 VAL 13 -5.136 2.150 -12.272 84 HG23 VAL 13 HG23 VAL 13 -6.133 3.567 -12.601 85 H LEU 14 H LEU 14 -2.833 3.770 -9.067 86 HA LEU 14 HA LEU 14 -3.133 6.221 -7.700 87 HB2 LEU 14 HB3 LEU 14 -1.661 3.669 -6.999 88 HB3 LEU 14 HB2 LEU 14 -1.660 5.067 -5.939 89 HG LEU 14 HG LEU 14 -3.995 3.266 -6.665 90 HD11 LEU 14 HD11 LEU 14 -2.953 4.196 -3.965 91 HD12 LEU 14 HD12 LEU 14 -2.590 2.640 -4.730 92 HD13 LEU 14 HD13 LEU 14 -4.245 3.024 -4.259 93 HD21 LEU 14 HD21 LEU 14 -5.512 4.834 -5.449 94 HD22 LEU 14 HD22 LEU 14 -4.911 5.491 -6.966 95 HD23 LEU 14 HD23 LEU 14 -4.221 6.048 -5.436 96 H GLU 15 H GLU 15 -0.415 5.085 -9.699 97 HA GLU 15 HA GLU 15 1.606 6.744 -8.631 98 HB2 GLU 15 HB3 GLU 15 2.065 5.063 -10.392 99 HB3 GLU 15 HB2 GLU 15 1.110 5.977 -11.554 100 HG2 GLU 15 HG3 GLU 15 2.747 7.848 -11.392 101 HG3 GLU 15 HG2 GLU 15 3.715 6.877 -10.282 102 H GLY 16 H GLY 16 -1.110 7.528 -10.749 103 HA2 GLY 16 HA3 GLY 16 -0.520 10.132 -11.556 104 HA3 GLY 16 HA2 GLY 16 -2.134 9.494 -11.307 105 H PHE 17 H PHE 17 -1.444 9.064 -8.300 106 HA PHE 17 HA PHE 17 -2.302 11.688 -7.449 107 HB2 PHE 17 HB2 PHE 17 -2.550 10.750 -5.201 108 HB3 PHE 17 HB1 PHE 17 -3.316 9.764 -6.369 109 HD1 PHE 17 HD1 PHE 17 0.370 9.374 -5.762 110 HD2 PHE 17 HD2 PHE 17 -3.558 7.965 -4.761 111 HE1 PHE 17 HE1 PHE 17 1.349 7.426 -4.636 112 HE2 PHE 17 HE2 PHE 17 -2.539 6.039 -3.612 113 HZ PHE 17 HZ PHE 17 -0.106 5.757 -3.560 114 H ARG 18 H ARG 18 0.727 10.374 -7.973 115 HA ARG 18 HA ARG 18 2.429 10.888 -5.961 116 HB2 ARG 18 HB3 ARG 18 2.934 10.058 -8.294 117 HB3 ARG 18 HB2 ARG 18 3.023 11.731 -8.818 118 HG2 ARG 18 HG3 ARG 18 4.935 12.091 -7.252 119 HG3 ARG 18 HG2 ARG 18 4.845 10.384 -6.795 120 HD2 ARG 18 HD3 ARG 18 5.111 9.897 -9.335 121 HD3 ARG 18 HD2 ARG 18 5.624 11.581 -9.464 122 HE ARG 18 HE ARG 18 7.326 10.799 -7.627 123 HH11 ARG 18 HH11 ARG 18 6.328 9.045 -10.447 124 HH12 ARG 18 HH12 ARG 18 7.788 8.129 -10.514 125 HH21 ARG 18 HH21 ARG 18 9.195 9.589 -7.753 126 HH22 ARG 18 HH22 ARG 18 9.370 8.428 -9.020 127 H VAL 19 H VAL 19 1.886 13.481 -8.418 128 HA VAL 19 HA VAL 19 3.161 15.564 -7.032 129 HB VAL 19 HB VAL 19 2.695 15.653 -9.447 130 HG11 VAL 19 HG11 VAL 19 0.453 16.212 -10.342 131 HG12 VAL 19 HG12 VAL 19 -0.230 16.056 -8.723 132 HG13 VAL 19 HG13 VAL 19 0.465 14.645 -9.526 133 HG21 VAL 19 HG21 VAL 19 3.180 17.775 -8.301 134 HG22 VAL 19 HG22 VAL 19 1.462 18.017 -7.976 135 HG23 VAL 19 HG23 VAL 19 2.056 18.040 -9.636 136 H THR 20 H THR 20 -0.175 14.442 -6.809 137 HA THR 20 HA THR 20 -1.274 16.659 -5.390 138 HB THR 20 HB THR 20 -2.221 13.768 -5.575 139 HG1 THR 20 HG1 THR 20 -3.401 15.975 -6.892 140 HG21 THR 20 HG21 THR 20 -3.755 16.202 -4.588 141 HG22 THR 20 HG22 THR 20 -3.259 14.824 -3.604 142 HG23 THR 20 HG23 THR 20 -4.448 14.608 -4.887 143 H LEU 21 H LEU 21 -0.393 13.352 -4.191 144 HA LEU 21 HA LEU 21 -0.574 13.842 -1.450 145 HB2 LEU 21 HB3 LEU 21 1.508 11.994 -2.648 146 HB3 LEU 21 HB2 LEU 21 0.780 11.906 -1.053 147 HG LEU 21 HG LEU 21 -0.385 11.113 -3.717 148 HD11 LEU 21 HD11 LEU 21 -0.098 9.663 -1.081 149 HD12 LEU 21 HD12 LEU 21 0.866 9.438 -2.557 150 HD13 LEU 21 HD13 LEU 21 -0.839 9.014 -2.553 151 HD21 LEU 21 HD21 LEU 21 -2.186 12.417 -2.792 152 HD22 LEU 21 HD22 LEU 21 -2.034 11.620 -1.230 153 HD23 LEU 21 HD23 LEU 21 -2.586 10.706 -2.633 154 H THR 22 H THR 22 2.315 14.269 -3.549 155 HA THR 22 HA THR 22 4.149 14.960 -1.510 156 HB THR 22 HB THR 22 5.514 16.091 -3.314 157 HG1 THR 22 HG1 THR 22 3.624 16.786 -4.573 158 HG21 THR 22 HG21 THR 22 5.922 14.092 -4.715 159 HG22 THR 22 HG22 THR 22 4.451 13.353 -4.083 160 HG23 THR 22 HG23 THR 22 5.807 13.679 -3.003 161 H SER 23 H SER 23 1.566 16.817 -2.865 162 HA SER 23 HA SER 23 2.460 19.349 -1.655 163 HB2 SER 23 HB3 SER 23 1.445 19.425 -3.914 164 HB3 SER 23 HB2 SER 23 -0.037 18.708 -3.285 165 HG SER 23 HG SER 23 1.058 21.267 -2.703 166 H VAL 24 H VAL 24 0.065 16.756 -1.115 167 HA VAL 24 HA VAL 24 -1.188 18.299 1.094 168 HB VAL 24 HB VAL 24 -2.274 15.791 -0.255 169 HG11 VAL 24 HG11 VAL 24 -3.627 17.714 1.683 170 HG12 VAL 24 HG12 VAL 24 -3.125 16.060 2.039 171 HG13 VAL 24 HG13 VAL 24 -4.412 16.355 0.870 172 HG21 VAL 24 HG21 VAL 24 -3.080 18.691 -0.729 173 HG22 VAL 24 HG22 VAL 24 -3.871 17.277 -1.430 174 HG23 VAL 24 HG23 VAL 24 -2.205 17.660 -1.864 175 H ILE 25 H ILE 25 -0.323 14.851 0.476 176 HA ILE 25 HA ILE 25 -0.488 14.210 3.308 177 HB ILE 25 HB ILE 25 0.198 12.429 0.919 178 HG12 ILE 25 HG12 ILE 25 -2.388 12.869 2.479 179 HG13 ILE 25 HG11 ILE 25 -2.090 13.265 0.790 180 HG21 ILE 25 HG21 ILE 25 -0.411 11.580 3.791 181 HG22 ILE 25 HG22 ILE 25 1.166 11.488 3.006 182 HG23 ILE 25 HG23 ILE 25 -0.166 10.492 2.422 183 HD11 ILE 25 HD11 ILE 25 -3.453 11.326 0.933 184 HD12 ILE 25 HD12 ILE 25 -2.310 10.528 2.009 185 HD13 ILE 25 HD13 ILE 25 -1.868 10.842 0.328 186 H ASP 26 H ASP 26 1.148 14.207 4.694 187 HA ASP 26 HA ASP 26 3.939 13.997 3.743 188 HB2 ASP 26 HB3 ASP 26 3.372 15.939 5.210 189 HB3 ASP 26 HB2 ASP 26 2.899 14.828 6.490 190 HA PRO 27 HA PRO 27 3.778 9.667 4.998 191 HB2 PRO 27 HB3 PRO 27 6.521 9.177 5.033 192 HB3 PRO 27 HB2 PRO 27 5.523 9.198 3.576 193 HG2 PRO 27 HG3 PRO 27 7.268 11.368 4.711 194 HG3 PRO 27 HG2 PRO 27 7.061 10.873 3.024 195 HD2 PRO 27 HD3 PRO 27 5.860 13.067 4.019 196 HD3 PRO 27 HD2 PRO 27 5.079 12.057 2.782 197 H SER 28 H SER 28 5.717 12.008 6.912 198 HA SER 28 HA SER 28 6.239 10.281 9.153 199 HB2 SER 28 HB3 SER 28 6.165 13.323 9.080 200 HB3 SER 28 HB2 SER 28 6.804 12.358 10.413 201 HG SER 28 HG SER 28 7.797 12.644 7.793 202 H ARG 29 H ARG 29 3.425 12.047 8.174 203 HA ARG 29 HA ARG 29 2.058 12.246 10.667 204 HB2 ARG 29 HB3 ARG 29 1.466 13.455 8.496 205 HB3 ARG 29 HB2 ARG 29 0.787 11.946 7.905 206 HG2 ARG 29 HG3 ARG 29 -0.998 13.366 8.715 207 HG3 ARG 29 HG2 ARG 29 -0.845 11.975 9.793 208 HD2 ARG 29 HD3 ARG 29 -1.194 14.112 11.024 209 HD3 ARG 29 HD2 ARG 29 0.337 13.335 11.445 210 HE ARG 29 HE ARG 29 0.896 15.112 9.387 211 HH11 ARG 29 HH11 ARG 29 -0.228 15.379 12.644 212 HH12 ARG 29 HH12 ARG 29 0.463 16.945 12.853 213 HH21 ARG 29 HH21 ARG 29 1.785 17.101 9.702 214 HH22 ARG 29 HH22 ARG 29 1.578 17.907 11.215 215 H ILE 30 H ILE 30 2.314 9.702 8.233 216 HA ILE 30 HA ILE 30 0.615 7.868 9.837 217 HB ILE 30 HB ILE 30 0.142 6.650 7.687 218 HG12 ILE 30 HG12 ILE 30 1.527 9.051 6.389 219 HG13 ILE 30 HG11 ILE 30 2.143 7.403 6.403 220 HG21 ILE 30 HG21 ILE 30 -1.494 8.259 8.578 221 HG22 ILE 30 HG22 ILE 30 -1.505 8.272 6.815 222 HG23 ILE 30 HG23 ILE 30 -0.704 9.574 7.699 223 HD11 ILE 30 HD11 ILE 30 -0.352 8.363 5.016 224 HD12 ILE 30 HD12 ILE 30 0.230 6.696 5.044 225 HD13 ILE 30 HD13 ILE 30 1.189 7.953 4.263 226 H THR 31 H THR 31 3.815 8.387 9.473 227 HA THR 31 HA THR 31 5.011 5.996 8.725 228 HB THR 31 HB THR 31 6.753 6.588 10.706 229 HG1 THR 31 HG1 THR 31 6.689 8.961 10.919 230 HG21 THR 31 HG21 THR 31 7.302 6.758 8.308 231 HG22 THR 31 HG22 THR 31 7.946 8.131 9.213 232 HG23 THR 31 HG23 THR 31 6.491 8.325 8.231 233 HA PRO 32 HA PRO 32 4.554 4.095 13.224 234 HB2 PRO 32 HB3 PRO 32 2.543 5.013 14.855 235 HB3 PRO 32 HB2 PRO 32 4.180 5.681 14.873 236 HG2 PRO 32 HG3 PRO 32 1.732 6.723 13.438 237 HG3 PRO 32 HG2 PRO 32 2.906 7.610 14.435 238 HD2 PRO 32 HD3 PRO 32 3.057 7.652 11.751 239 HD3 PRO 32 HD2 PRO 32 4.524 7.635 12.755 240 H TYR 33 H TYR 33 1.743 5.112 11.349 241 HA TYR 33 HA TYR 33 0.054 2.863 11.955 242 HB2 TYR 33 HB2 TYR 33 -0.815 5.091 11.136 243 HB3 TYR 33 HB1 TYR 33 -0.118 4.747 9.557 244 HD1 TYR 33 HD1 TYR 33 -1.095 2.904 8.135 245 HD2 TYR 33 HD2 TYR 33 -2.880 4.028 11.847 246 HE1 TYR 33 HE1 TYR 33 -3.137 1.679 7.522 247 HE2 TYR 33 HE2 TYR 33 -4.925 2.815 11.231 248 HH TYR 33 HH TYR 33 -5.047 0.649 8.581 249 H LEU 34 H LEU 34 2.157 3.747 9.214 250 HA LEU 34 HA LEU 34 1.803 1.390 7.671 251 HB2 LEU 34 HB3 LEU 34 4.154 3.323 7.727 252 HB3 LEU 34 HB2 LEU 34 3.853 2.137 6.466 253 HG LEU 34 HG LEU 34 2.094 4.549 7.084 254 HD11 LEU 34 HD11 LEU 34 4.217 5.209 6.082 255 HD12 LEU 34 HD12 LEU 34 2.890 5.463 4.952 256 HD13 LEU 34 HD13 LEU 34 3.969 4.079 4.747 257 HD21 LEU 34 HD21 LEU 34 0.870 3.978 5.006 258 HD22 LEU 34 HD22 LEU 34 0.710 2.729 6.242 259 HD23 LEU 34 HD23 LEU 34 1.802 2.481 4.877 260 H ARG 35 H ARG 35 4.086 2.239 10.248 261 HA ARG 35 HA ARG 35 5.629 -0.182 10.231 262 HB2 ARG 35 HB3 ARG 35 5.185 1.876 12.433 263 HB3 ARG 35 HB2 ARG 35 6.401 0.600 12.490 264 HG2 ARG 35 HG3 ARG 35 6.312 2.704 10.307 265 HG3 ARG 35 HG2 ARG 35 7.218 2.911 11.806 266 HD2 ARG 35 HD3 ARG 35 7.670 0.581 9.904 267 HD3 ARG 35 HD2 ARG 35 8.555 2.105 9.804 268 HE ARG 35 HE ARG 35 9.297 1.655 12.135 269 HH11 ARG 35 HH11 ARG 35 8.428 -1.043 10.134 270 HH12 ARG 35 HH12 ARG 35 9.441 -2.128 11.015 271 HH21 ARG 35 HH21 ARG 35 10.547 0.236 13.218 272 HH22 ARG 35 HH22 ARG 35 10.613 -1.421 12.726 273 H GLN 36 H GLN 36 2.729 0.861 12.039 274 HA GLN 36 HA GLN 36 2.342 -1.303 13.775 275 HB2 GLN 36 HB3 GLN 36 0.968 0.709 13.950 276 HB3 GLN 36 HB2 GLN 36 0.293 0.454 12.352 277 HG2 GLN 36 HG3 GLN 36 -1.353 -0.084 14.060 278 HG3 GLN 36 HG2 GLN 36 -0.915 -1.534 13.163 279 HE21 GLN 36 HE21 GLN 36 -0.657 0.114 16.249 280 HE22 GLN 36 HE22 GLN 36 -0.176 -1.272 17.159 281 H CYS 37 H CYS 37 1.156 -0.897 10.435 282 HA CYS 37 HA CYS 37 0.115 -3.588 10.230 283 HB2 CYS 37 HB3 CYS 37 -0.895 -1.646 9.035 284 HB3 CYS 37 HB2 CYS 37 0.560 -1.516 8.051 285 HG CYS 37 HG CYS 37 -1.968 -2.904 7.042 286 H LYS 38 H LYS 38 3.256 -2.479 10.222 287 HA LYS 38 HA LYS 38 5.275 -3.350 9.721 288 HB2 LYS 38 HB3 LYS 38 3.707 -5.907 9.207 289 HB3 LYS 38 HB2 LYS 38 5.458 -5.827 9.380 290 HG2 LYS 38 HG3 LYS 38 3.439 -5.090 11.531 291 HG3 LYS 38 HG2 LYS 38 4.335 -6.609 11.438 292 HD2 LYS 38 HD3 LYS 38 6.459 -5.408 11.750 293 HD3 LYS 38 HD2 LYS 38 5.608 -3.858 11.747 294 HE2 LYS 38 HE3 LYS 38 5.259 -6.058 13.816 295 HE3 LYS 38 HE2 LYS 38 6.178 -4.568 14.034 296 HZ1 LYS 38 HZ1 LYS 38 3.990 -4.392 15.017 297 HZ2 LYS 38 HZ2 LYS 38 3.255 -4.744 13.535 298 HZ3 LYS 38 HZ3 LYS 38 4.131 -3.309 13.722 299 H VAL 39 H VAL 39 3.519 -2.264 7.446 300 HA VAL 39 HA VAL 39 4.587 -3.585 5.078 301 HB VAL 39 HB VAL 39 3.250 -2.095 3.758 302 HG11 VAL 39 HG11 VAL 39 2.028 -3.897 4.916 303 HG12 VAL 39 HG12 VAL 39 0.999 -2.493 4.661 304 HG13 VAL 39 HG13 VAL 39 1.673 -2.811 6.260 305 HG21 VAL 39 HG21 VAL 39 2.765 -0.403 6.247 306 HG22 VAL 39 HG22 VAL 39 1.985 -0.159 4.682 307 HG23 VAL 39 HG23 VAL 39 3.728 0.061 4.843 308 H LEU 40 H LEU 40 5.386 -0.898 7.085 309 HA LEU 40 HA LEU 40 7.452 0.136 5.240 310 HB2 LEU 40 HB3 LEU 40 5.671 1.641 6.409 311 HB3 LEU 40 HB2 LEU 40 6.573 1.361 7.883 312 HG LEU 40 HG LEU 40 8.601 2.373 6.733 313 HD11 LEU 40 HD11 LEU 40 8.236 3.733 4.717 314 HD12 LEU 40 HD12 LEU 40 6.573 3.152 4.608 315 HD13 LEU 40 HD13 LEU 40 7.920 2.028 4.405 316 HD21 LEU 40 HD21 LEU 40 7.843 4.706 7.033 317 HD22 LEU 40 HD22 LEU 40 7.260 3.671 8.332 318 HD23 LEU 40 HD23 LEU 40 6.161 4.166 7.043 319 H ASN 41 H ASN 41 9.609 -0.098 5.760 320 HA ASN 41 HA ASN 41 10.316 -1.772 8.087 321 HB2 ASN 41 HB3 ASN 41 11.979 -0.939 5.661 322 HB3 ASN 41 HB2 ASN 41 12.491 -2.075 6.907 323 HD21 ASN 41 HD21 ASN 41 10.386 -1.590 4.177 324 HD22 ASN 41 HD22 ASN 41 9.948 -3.244 3.958 325 HA PRO 42 HA PRO 42 12.225 1.400 10.657 326 HB2 PRO 42 HB3 PRO 42 14.810 -0.156 10.563 327 HB3 PRO 42 HB2 PRO 42 13.912 0.445 11.968 328 HG2 PRO 42 HG3 PRO 42 13.838 -2.145 11.318 329 HG3 PRO 42 HG2 PRO 42 12.374 -1.322 11.898 330 HD2 PRO 42 HD3 PRO 42 13.119 -2.118 9.091 331 HD3 PRO 42 HD2 PRO 42 11.530 -2.140 9.888 332 H ASP 43 H ASP 43 14.235 0.243 7.996 333 HA ASP 43 HA ASP 43 16.014 2.397 7.670 334 HB2 ASP 43 HB3 ASP 43 14.933 0.558 5.486 335 HB3 ASP 43 HB2 ASP 43 16.461 1.440 5.458 336 H ASP 44 H ASP 44 12.886 1.713 6.135 337 HA ASP 44 HA ASP 44 12.821 3.966 4.394 338 HB2 ASP 44 HB3 ASP 44 10.474 2.291 5.368 339 HB3 ASP 44 HB2 ASP 44 10.513 3.306 3.927 340 H GLU 45 H GLU 45 11.339 3.303 7.572 341 HA GLU 45 HA GLU 45 9.919 5.730 7.834 342 HB2 GLU 45 HB3 GLU 45 9.389 3.862 9.310 343 HB3 GLU 45 HB2 GLU 45 11.016 3.874 9.983 344 HG2 GLU 45 HG3 GLU 45 10.632 5.996 11.073 345 HG3 GLU 45 HG2 GLU 45 9.093 6.204 10.242 346 H GLU 46 H GLU 46 13.194 4.823 8.989 347 HA GLU 46 HA GLU 46 13.822 7.285 10.238 348 HB2 GLU 46 HB3 GLU 46 15.045 5.111 10.607 349 HB3 GLU 46 HB2 GLU 46 15.793 5.302 9.027 350 HG2 GLU 46 HG3 GLU 46 16.785 7.471 9.837 351 HG3 GLU 46 HG2 GLU 46 16.136 7.115 11.435 352 H GLN 47 H GLN 47 14.193 6.174 6.911 353 HA GLN 47 HA GLN 47 15.828 8.167 5.811 354 HB2 GLN 47 HB3 GLN 47 15.191 6.077 4.644 355 HB3 GLN 47 HB2 GLN 47 13.534 6.651 4.498 356 HG2 GLN 47 HG3 GLN 47 14.260 8.447 3.004 357 HG3 GLN 47 HG2 GLN 47 15.942 7.966 3.208 358 HE21 GLN 47 HE21 GLN 47 13.253 5.702 2.795 359 HE22 GLN 47 HE22 GLN 47 13.745 5.136 1.245 360 H VAL 48 H VAL 48 12.363 8.124 6.384 361 HA VAL 48 HA VAL 48 11.777 10.718 5.243 362 HB VAL 48 HB VAL 48 10.155 8.776 6.950 363 HG11 VAL 48 HG11 VAL 48 9.172 11.322 5.611 364 HG12 VAL 48 HG12 VAL 48 9.284 11.034 7.347 365 HG13 VAL 48 HG13 VAL 48 8.147 10.102 6.373 366 HG21 VAL 48 HG21 VAL 48 10.705 7.960 4.685 367 HG22 VAL 48 HG22 VAL 48 10.019 9.423 3.974 368 HG23 VAL 48 HG23 VAL 48 8.975 8.285 4.828 369 H LEU 49 H LEU 49 12.052 9.400 8.559 370 HA LEU 49 HA LEU 49 11.513 11.879 9.910 371 HB2 LEU 49 HB3 LEU 49 12.652 9.271 10.977 372 HB3 LEU 49 HB2 LEU 49 12.154 10.626 11.983 373 HG LEU 49 HG LEU 49 10.341 8.899 10.246 374 HD11 LEU 49 HD11 LEU 49 10.445 9.160 13.264 375 HD12 LEU 49 HD12 LEU 49 11.070 7.806 12.316 376 HD13 LEU 49 HD13 LEU 49 9.341 8.145 12.322 377 HD21 LEU 49 HD21 LEU 49 9.509 11.190 10.186 378 HD22 LEU 49 HD22 LEU 49 9.575 11.298 11.946 379 HD23 LEU 49 HD23 LEU 49 8.445 10.185 11.168 380 H SER 50 H SER 50 14.314 10.676 8.409 381 HA SER 50 HA SER 50 16.381 11.920 9.901 382 HB2 SER 50 HB3 SER 50 16.847 10.237 8.153 383 HB3 SER 50 HB2 SER 50 16.255 11.335 6.908 384 HG SER 50 HG SER 50 18.119 12.321 6.926 385 H ASP 51 H ASP 51 14.217 13.126 7.364 386 HA ASP 51 HA ASP 51 15.160 15.840 7.397 387 HB2 ASP 51 HB3 ASP 51 12.326 14.899 6.736 388 HB3 ASP 51 HB2 ASP 51 13.100 16.395 6.217 389 HA PRO 52 HA PRO 52 12.882 16.886 11.316 390 HB2 PRO 52 HB3 PRO 52 13.855 19.424 11.528 391 HB3 PRO 52 HB2 PRO 52 14.754 18.018 12.115 392 HG2 PRO 52 HG3 PRO 52 15.090 19.572 9.553 393 HG3 PRO 52 HG2 PRO 52 16.336 18.927 10.644 394 HD2 PRO 52 HD3 PRO 52 15.619 17.682 8.317 395 HD3 PRO 52 HD2 PRO 52 16.198 16.787 9.739 396 H ASN 53 H ASN 53 11.409 16.740 9.083 397 HA ASN 53 HA ASN 53 10.006 17.534 7.568 398 HB2 ASN 53 HB3 ASN 53 9.409 19.615 9.695 399 HB3 ASN 53 HB2 ASN 53 8.358 19.240 8.332 400 HD21 ASN 53 HD21 ASN 53 7.823 19.038 11.211 401 HD22 ASN 53 HD22 ASN 53 7.369 17.398 11.501 402 H LEU 54 H LEU 54 11.433 18.087 5.923 403 HA LEU 54 HA LEU 54 12.106 20.966 5.589 404 HB2 LEU 54 HB3 LEU 54 13.791 18.539 4.847 405 HB3 LEU 54 HB2 LEU 54 14.159 20.179 4.334 406 HG LEU 54 HG LEU 54 14.198 19.119 7.186 407 HD11 LEU 54 HD11 LEU 54 16.605 19.633 7.090 408 HD12 LEU 54 HD12 LEU 54 16.441 20.122 5.402 409 HD13 LEU 54 HD13 LEU 54 16.139 18.447 5.871 410 HD21 LEU 54 HD21 LEU 54 14.687 21.973 6.244 411 HD22 LEU 54 HD22 LEU 54 14.999 21.362 7.872 412 HD23 LEU 54 HD23 LEU 54 13.352 21.412 7.254 413 H VAL 55 H VAL 55 12.924 21.251 3.146 414 HA VAL 55 HA VAL 55 10.722 20.854 1.378 415 HB VAL 55 HB VAL 55 13.585 21.658 0.663 416 HG11 VAL 55 HG11 VAL 55 10.999 22.160 -0.869 417 HG12 VAL 55 HG12 VAL 55 12.287 21.048 -1.338 418 HG13 VAL 55 HG13 VAL 55 12.593 22.783 -1.309 419 HG21 VAL 55 HG21 VAL 55 11.256 23.463 1.426 420 HG22 VAL 55 HG22 VAL 55 12.844 24.004 0.878 421 HG23 VAL 55 HG23 VAL 55 12.687 23.144 2.410 422 H ILE 56 H ILE 56 13.799 19.168 1.829 423 HA ILE 56 HA ILE 56 13.822 17.453 -0.412 424 HB ILE 56 HB ILE 56 15.017 17.039 2.368 425 HG12 ILE 56 HG12 ILE 56 15.836 19.082 1.226 426 HG13 ILE 56 HG11 ILE 56 17.122 17.894 1.384 427 HG21 ILE 56 HG21 ILE 56 14.919 14.864 1.263 428 HG22 ILE 56 HG22 ILE 56 16.591 15.419 1.333 429 HG23 ILE 56 HG23 ILE 56 15.690 15.523 -0.182 430 HD11 ILE 56 HD11 ILE 56 15.548 18.449 -1.137 431 HD12 ILE 56 HD12 ILE 56 16.883 17.304 -0.970 432 HD13 ILE 56 HD13 ILE 56 17.171 19.030 -0.769 433 H ARG 57 H ARG 57 12.023 17.268 2.576 434 HA ARG 57 HA ARG 57 11.199 14.625 2.703 435 HB2 ARG 57 HB3 ARG 57 10.709 16.223 4.468 436 HB3 ARG 57 HB2 ARG 57 9.684 17.165 3.392 437 HG2 ARG 57 HG3 ARG 57 8.273 15.906 4.875 438 HG3 ARG 57 HG2 ARG 57 8.108 15.229 3.255 439 HD2 ARG 57 HD3 ARG 57 8.226 13.412 4.852 440 HD3 ARG 57 HD2 ARG 57 9.711 13.416 3.903 441 HE ARG 57 HE ARG 57 10.870 13.723 5.833 442 HH11 ARG 57 HH11 ARG 57 7.630 14.855 6.457 443 HH12 ARG 57 HH12 ARG 57 7.965 15.147 8.127 444 HH21 ARG 57 HH21 ARG 57 11.210 14.073 7.977 445 HH22 ARG 57 HH22 ARG 57 9.938 14.699 8.968 446 H LYS 58 H LYS 58 9.934 17.214 0.592 447 HA LYS 58 HA LYS 58 7.667 15.958 -0.476 448 HB2 LYS 58 HB3 LYS 58 8.179 18.312 -0.917 449 HB3 LYS 58 HB2 LYS 58 9.620 17.865 -1.824 450 HG2 LYS 58 HG3 LYS 58 8.179 16.751 -3.521 451 HG3 LYS 58 HG2 LYS 58 6.750 17.261 -2.617 452 HD2 LYS 58 HD3 LYS 58 7.348 19.625 -2.998 453 HD3 LYS 58 HD2 LYS 58 8.800 19.128 -3.872 454 HE2 LYS 58 HE3 LYS 58 7.404 18.056 -5.593 455 HE3 LYS 58 HE2 LYS 58 5.946 18.505 -4.709 456 HZ1 LYS 58 HZ1 LYS 58 6.494 20.824 -5.056 457 HZ2 LYS 58 HZ2 LYS 58 6.395 20.014 -6.535 458 HZ3 LYS 58 HZ3 LYS 58 7.906 20.399 -5.884 459 H ARG 59 H ARG 59 11.035 15.820 -1.578 460 HA ARG 59 HA ARG 59 10.703 13.974 -3.713 461 HB2 ARG 59 HB3 ARG 59 12.659 15.558 -3.301 462 HB3 ARG 59 HB2 ARG 59 13.209 14.455 -2.047 463 HG2 ARG 59 HG3 ARG 59 13.613 12.706 -3.688 464 HG3 ARG 59 HG2 ARG 59 12.881 13.681 -4.967 465 HD2 ARG 59 HD3 ARG 59 14.696 15.396 -4.614 466 HD3 ARG 59 HD2 ARG 59 15.450 14.291 -3.459 467 HE ARG 59 HE ARG 59 15.223 12.793 -5.720 468 HH11 ARG 59 HH11 ARG 59 16.667 15.894 -5.108 469 HH12 ARG 59 HH12 ARG 59 17.856 15.692 -6.343 470 HH21 ARG 59 HH21 ARG 59 16.783 12.574 -7.281 471 HH22 ARG 59 HH22 ARG 59 17.917 13.849 -7.548 472 H LYS 60 H LYS 60 11.432 13.603 -0.244 473 HA LYS 60 HA LYS 60 11.789 10.791 -0.147 474 HB2 LYS 60 HB3 LYS 60 10.755 12.661 2.020 475 HB3 LYS 60 HB2 LYS 60 11.249 10.993 2.295 476 HG2 LYS 60 HG3 LYS 60 13.071 13.192 1.271 477 HG3 LYS 60 HG2 LYS 60 12.959 12.672 2.955 478 HD2 LYS 60 HD3 LYS 60 13.711 10.391 2.281 479 HD3 LYS 60 HD2 LYS 60 13.862 10.948 0.609 480 HE2 LYS 60 HE3 LYS 60 16.041 10.903 1.794 481 HE3 LYS 60 HE2 LYS 60 15.609 12.529 1.261 482 HZ1 LYS 60 HZ1 LYS 60 15.266 11.464 4.012 483 HZ2 LYS 60 HZ2 LYS 60 14.864 13.024 3.506 484 HZ3 LYS 60 HZ3 LYS 60 16.481 12.527 3.510 485 H VAL 61 H VAL 61 8.785 12.712 -0.212 486 HA VAL 61 HA VAL 61 6.963 10.610 0.401 487 HB VAL 61 HB VAL 61 6.389 12.878 -1.563 488 HG11 VAL 61 HG11 VAL 61 4.476 11.235 0.145 489 HG12 VAL 61 HG12 VAL 61 4.684 11.099 -1.600 490 HG13 VAL 61 HG13 VAL 61 4.018 12.578 -0.907 491 HG21 VAL 61 HG21 VAL 61 7.206 13.880 0.496 492 HG22 VAL 61 HG22 VAL 61 6.079 12.924 1.451 493 HG23 VAL 61 HG23 VAL 61 5.470 14.162 0.352 494 H GLY 62 H GLY 62 8.262 11.780 -2.729 495 HA2 GLY 62 HA3 GLY 62 7.113 9.881 -4.461 496 HA3 GLY 62 HA2 GLY 62 8.611 10.748 -4.755 497 H VAL 63 H VAL 63 10.184 9.738 -2.648 498 HA VAL 63 HA VAL 63 11.070 7.171 -3.475 499 HB VAL 63 HB VAL 63 11.531 8.581 -0.800 500 HG11 VAL 63 HG11 VAL 63 13.518 7.107 -0.546 501 HG12 VAL 63 HG12 VAL 63 13.049 6.228 -2.002 502 HG13 VAL 63 HG13 VAL 63 12.015 6.183 -0.575 503 HG21 VAL 63 HG21 VAL 63 12.333 9.911 -2.713 504 HG22 VAL 63 HG22 VAL 63 13.273 8.539 -3.300 505 HG23 VAL 63 HG23 VAL 63 13.693 9.305 -1.766 506 H LEU 64 H LEU 64 8.897 8.192 -0.831 507 HA LEU 64 HA LEU 64 8.644 5.677 0.443 508 HB2 LEU 64 HB3 LEU 64 7.987 8.154 1.207 509 HB3 LEU 64 HB2 LEU 64 6.416 7.720 0.577 510 HG LEU 64 HG LEU 64 6.663 7.467 3.067 511 HD11 LEU 64 HD11 LEU 64 6.005 4.880 1.651 512 HD12 LEU 64 HD12 LEU 64 4.906 6.229 1.942 513 HD13 LEU 64 HD13 LEU 64 5.547 5.314 3.302 514 HD21 LEU 64 HD21 LEU 64 8.999 6.727 3.113 515 HD22 LEU 64 HD22 LEU 64 8.533 5.177 2.407 516 HD23 LEU 64 HD23 LEU 64 7.951 5.632 4.010 517 H LEU 65 H LEU 65 6.755 7.188 -2.170 518 HA LEU 65 HA LEU 65 4.722 5.200 -2.400 519 HB2 LEU 65 HB3 LEU 65 5.798 7.092 -4.530 520 HB3 LEU 65 HB2 LEU 65 4.273 6.219 -4.618 521 HG LEU 65 HG LEU 65 4.953 8.420 -2.624 522 HD11 LEU 65 HD11 LEU 65 3.048 8.488 -4.982 523 HD12 LEU 65 HD12 LEU 65 4.604 9.315 -4.865 524 HD13 LEU 65 HD13 LEU 65 3.283 9.778 -3.797 525 HD21 LEU 65 HD21 LEU 65 2.601 8.278 -1.899 526 HD22 LEU 65 HD22 LEU 65 3.480 6.789 -1.575 527 HD23 LEU 65 HD23 LEU 65 2.363 6.871 -2.938 528 H ASP 66 H ASP 66 7.846 5.653 -4.030 529 HA ASP 66 HA ASP 66 7.977 3.422 -5.706 530 HB2 ASP 66 HB3 ASP 66 9.638 5.171 -5.841 531 HB3 ASP 66 HB2 ASP 66 10.111 4.947 -4.166 532 H ILE 67 H ILE 67 8.801 3.685 -2.255 533 HA ILE 67 HA ILE 67 9.588 1.002 -1.752 534 HB ILE 67 HB ILE 67 8.440 3.145 0.092 535 HG12 ILE 67 HG12 ILE 67 11.348 2.251 -0.192 536 HG13 ILE 67 HG11 ILE 67 10.667 3.612 -1.072 537 HG21 ILE 67 HG21 ILE 67 9.342 1.849 2.011 538 HG22 ILE 67 HG22 ILE 67 9.748 0.527 0.917 539 HG23 ILE 67 HG23 ILE 67 8.061 0.979 1.162 540 HD11 ILE 67 HD11 ILE 67 10.894 3.387 1.927 541 HD12 ILE 67 HD12 ILE 67 10.220 4.758 1.043 542 HD13 ILE 67 HD13 ILE 67 11.925 4.343 0.864 543 H LEU 68 H LEU 68 6.426 2.649 -1.501 544 HA LEU 68 HA LEU 68 4.928 0.540 -0.360 545 HB2 LEU 68 HB3 LEU 68 4.079 2.935 -1.994 546 HB3 LEU 68 HB2 LEU 68 2.925 1.838 -1.249 547 HG LEU 68 HG LEU 68 5.000 3.421 0.313 548 HD11 LEU 68 HD11 LEU 68 3.459 4.952 -0.779 549 HD12 LEU 68 HD12 LEU 68 3.171 4.920 0.959 550 HD13 LEU 68 HD13 LEU 68 2.075 4.065 -0.130 551 HD21 LEU 68 HD21 LEU 68 3.667 2.812 2.291 552 HD22 LEU 68 HD22 LEU 68 4.269 1.375 1.467 553 HD23 LEU 68 HD23 LEU 68 2.579 1.855 1.281 554 H GLN 69 H GLN 69 5.595 1.344 -3.748 555 HA GLN 69 HA GLN 69 4.073 -0.660 -5.018 556 HB2 GLN 69 HB3 GLN 69 5.102 1.024 -6.385 557 HB3 GLN 69 HB2 GLN 69 6.701 0.691 -5.732 558 HG2 GLN 69 HG3 GLN 69 6.524 -0.108 -8.031 559 HG3 GLN 69 HG2 GLN 69 6.771 -1.456 -6.924 560 HE21 GLN 69 HE21 GLN 69 5.897 -2.996 -8.263 561 HE22 GLN 69 HE22 GLN 69 4.230 -3.052 -8.698 562 H ARG 70 H ARG 70 7.376 -0.827 -3.659 563 HA ARG 70 HA ARG 70 7.996 -3.480 -4.491 564 HB2 ARG 70 HB3 ARG 70 9.218 -1.888 -2.198 565 HB3 ARG 70 HB2 ARG 70 9.947 -3.285 -2.998 566 HG2 ARG 70 HG3 ARG 70 10.128 -2.047 -5.090 567 HG3 ARG 70 HG2 ARG 70 9.281 -0.672 -4.387 568 HD2 ARG 70 HD3 ARG 70 11.169 -0.432 -2.747 569 HD3 ARG 70 HD2 ARG 70 12.034 -1.702 -3.621 570 HE ARG 70 HE ARG 70 11.569 1.039 -4.472 571 HH11 ARG 70 HH11 ARG 70 12.613 -2.106 -5.500 572 HH12 ARG 70 HH12 ARG 70 13.446 -1.474 -6.875 573 HH21 ARG 70 HH21 ARG 70 12.589 1.791 -6.263 574 HH22 ARG 70 HH22 ARG 70 13.421 0.694 -7.314 575 H THR 71 H THR 71 6.454 -2.229 -1.588 576 HA THR 71 HA THR 71 6.068 -4.939 -0.467 577 HB THR 71 HB THR 71 6.840 -3.197 1.113 578 HG1 THR 71 HG1 THR 71 4.904 -3.396 2.591 579 HG21 THR 71 HG21 THR 71 5.364 -1.357 1.833 580 HG22 THR 71 HG22 THR 71 4.214 -1.774 0.561 581 HG23 THR 71 HG23 THR 71 5.823 -1.188 0.135 582 H GLY 72 H GLY 72 4.767 -3.889 -2.939 583 HA2 GLY 72 HA3 GLY 72 2.468 -2.613 -3.031 584 HA3 GLY 72 HA2 GLY 72 2.763 -4.000 -4.050 585 H HIS 73 H HIS 73 2.329 -6.167 -2.323 586 HA HIS 73 HA HIS 73 -0.477 -6.372 -2.451 587 HB2 HIS 73 HB2 HIS 73 1.585 -8.110 -1.047 588 HB3 HIS 73 HB1 HIS 73 -0.128 -8.513 -1.038 589 HD1 HIS 73 HD1 HIS 73 2.884 -8.642 -3.189 590 HD2 HIS 73 HD2 HIS 73 -1.206 -9.208 -3.584 591 HE1 HIS 73 HE1 HIS 73 2.572 -9.775 -5.400 592 HE2 HIS 73 HE2 HIS 73 0.089 -9.840 -5.722 593 H LYS 74 H LYS 74 1.493 -6.198 0.577 594 HA LYS 74 HA LYS 74 -0.889 -5.645 2.175 595 HB2 LYS 74 HB3 LYS 74 0.641 -5.661 4.114 596 HB3 LYS 74 HB2 LYS 74 0.832 -7.096 3.118 597 HG2 LYS 74 HG3 LYS 74 2.881 -6.095 2.106 598 HG3 LYS 74 HG2 LYS 74 2.701 -4.702 3.173 599 HD2 LYS 74 HD3 LYS 74 2.932 -6.201 5.148 600 HD3 LYS 74 HD2 LYS 74 3.146 -7.580 4.066 601 HE2 LYS 74 HE3 LYS 74 4.996 -5.178 4.283 602 HE3 LYS 74 HE2 LYS 74 5.311 -6.794 4.921 603 HZ1 LYS 74 HZ1 LYS 74 5.196 -7.627 2.619 604 HZ2 LYS 74 HZ2 LYS 74 6.449 -6.522 2.855 605 HZ3 LYS 74 HZ3 LYS 74 5.039 -6.037 2.059 606 H GLY 75 H GLY 75 1.688 -3.821 0.721 607 HA2 GLY 75 HA3 GLY 75 1.664 -1.467 2.325 608 HA3 GLY 75 HA2 GLY 75 2.384 -1.638 0.734 609 H TYR 76 H TYR 76 0.226 -2.185 -0.859 610 HA TYR 76 HA TYR 76 -1.098 0.193 -1.437 611 HB2 TYR 76 HB2 TYR 76 -0.989 -1.576 -3.065 612 HB3 TYR 76 HB1 TYR 76 -1.795 -2.714 -1.999 613 HD1 TYR 76 HD1 TYR 76 -4.231 -2.772 -1.846 614 HD2 TYR 76 HD2 TYR 76 -2.300 0.137 -4.314 615 HE1 TYR 76 HE1 TYR 76 -6.374 -2.292 -2.940 616 HE2 TYR 76 HE2 TYR 76 -4.452 0.618 -5.409 617 HH TYR 76 HH TYR 76 -6.666 -0.610 -5.791 618 H VAL 77 H VAL 77 -2.378 -2.619 0.322 619 HA VAL 77 HA VAL 77 -4.942 -1.605 0.882 620 HB VAL 77 HB VAL 77 -3.385 -3.751 2.401 621 HG11 VAL 77 HG11 VAL 77 -5.611 -4.609 3.108 622 HG12 VAL 77 HG12 VAL 77 -6.384 -3.218 2.343 623 HG13 VAL 77 HG13 VAL 77 -5.309 -2.981 3.722 624 HG21 VAL 77 HG21 VAL 77 -3.566 -4.281 -0.001 625 HG22 VAL 77 HG22 VAL 77 -5.313 -4.040 0.057 626 HG23 VAL 77 HG23 VAL 77 -4.577 -5.374 0.948 627 H ALA 78 H ALA 78 -2.032 -1.761 3.007 628 HA ALA 78 HA ALA 78 -3.179 -0.511 5.286 629 HB1 ALA 78 HB1 ALA 78 -1.130 -1.867 5.396 630 HB2 ALA 78 HB2 ALA 78 -0.884 -0.271 6.108 631 HB3 ALA 78 HB3 ALA 78 -0.253 -0.629 4.497 632 H PHE 79 H PHE 79 -1.392 0.846 2.519 633 HA PHE 79 HA PHE 79 -1.144 3.498 3.500 634 HB2 PHE 79 HB2 PHE 79 0.140 2.554 1.521 635 HB3 PHE 79 HB1 PHE 79 -1.332 2.688 0.562 636 HD1 PHE 79 HD1 PHE 79 -1.321 4.573 -0.887 637 HD2 PHE 79 HD2 PHE 79 0.579 4.888 2.937 638 HE1 PHE 79 HE1 PHE 79 -0.707 6.922 -1.369 639 HE2 PHE 79 HE2 PHE 79 1.187 7.209 2.441 640 HZ PHE 79 HZ PHE 79 0.553 8.228 0.292 641 H LEU 80 H LEU 80 -3.591 2.001 1.323 642 HA LEU 80 HA LEU 80 -5.257 4.299 1.174 643 HB2 LEU 80 HB3 LEU 80 -5.875 1.376 0.675 644 HB3 LEU 80 HB2 LEU 80 -7.031 2.667 0.389 645 HG LEU 80 HG LEU 80 -4.422 2.168 -1.089 646 HD11 LEU 80 HD11 LEU 80 -6.319 0.828 -1.829 647 HD12 LEU 80 HD12 LEU 80 -5.883 2.009 -3.061 648 HD13 LEU 80 HD13 LEU 80 -7.300 2.281 -2.040 649 HD21 LEU 80 HD21 LEU 80 -4.897 4.212 -2.416 650 HD22 LEU 80 HD22 LEU 80 -4.545 4.579 -0.731 651 HD23 LEU 80 HD23 LEU 80 -6.213 4.619 -1.310 652 H GLU 81 H GLU 81 -5.129 1.694 3.555 653 HA GLU 81 HA GLU 81 -7.525 2.295 4.969 654 HB2 GLU 81 HB3 GLU 81 -4.937 0.950 5.813 655 HB3 GLU 81 HB2 GLU 81 -6.262 1.184 6.945 656 HG2 GLU 81 HG3 GLU 81 -7.731 -0.185 5.516 657 HG3 GLU 81 HG2 GLU 81 -6.408 -0.419 4.374 658 H SER 82 H SER 82 -4.154 3.498 5.345 659 HA SER 82 HA SER 82 -4.716 5.253 7.540 660 HB2 SER 82 HB3 SER 82 -2.528 6.260 7.154 661 HB3 SER 82 HB2 SER 82 -2.384 4.519 6.947 662 HG SER 82 HG SER 82 -2.128 4.771 4.820 663 H LEU 83 H LEU 83 -4.721 5.736 3.996 664 HA LEU 83 HA LEU 83 -5.261 8.537 4.092 665 HB2 LEU 83 HB3 LEU 83 -5.953 6.670 1.791 666 HB3 LEU 83 HB2 LEU 83 -5.805 8.417 1.721 667 HG LEU 83 HG LEU 83 -3.644 6.321 1.807 668 HD11 LEU 83 HD11 LEU 83 -2.645 7.698 0.017 669 HD12 LEU 83 HD12 LEU 83 -4.009 8.810 0.129 670 HD13 LEU 83 HD13 LEU 83 -4.271 7.131 -0.371 671 HD21 LEU 83 HD21 LEU 83 -1.920 8.001 2.344 672 HD22 LEU 83 HD22 LEU 83 -3.004 7.689 3.694 673 HD23 LEU 83 HD23 LEU 83 -3.185 9.168 2.746 674 H GLU 84 H GLU 84 -7.346 5.683 4.153 675 HA GLU 84 HA GLU 84 -9.812 7.028 3.687 676 HB2 GLU 84 HB3 GLU 84 -9.501 4.574 3.435 677 HB3 GLU 84 HB2 GLU 84 -9.330 4.421 5.180 678 HG2 GLU 84 HG3 GLU 84 -11.649 5.163 5.497 679 HG3 GLU 84 HG2 GLU 84 -11.822 5.426 3.762 680 H LEU 85 H LEU 85 -7.938 6.431 6.654 681 HA LEU 85 HA LEU 85 -9.995 7.482 8.427 682 HB2 LEU 85 HB3 LEU 85 -7.091 6.755 8.969 683 HB3 LEU 85 HB2 LEU 85 -8.240 7.244 10.206 684 HG LEU 85 HG LEU 85 -8.336 4.696 8.544 685 HD11 LEU 85 HD11 LEU 85 -7.895 5.100 11.523 686 HD12 LEU 85 HD12 LEU 85 -6.668 4.650 10.338 687 HD13 LEU 85 HD13 LEU 85 -7.994 3.546 10.688 688 HD21 LEU 85 HD21 LEU 85 -10.353 5.689 10.595 689 HD22 LEU 85 HD22 LEU 85 -10.326 4.071 9.888 690 HD23 LEU 85 HD23 LEU 85 -10.624 5.470 8.863 691 H TYR 86 H TYR 86 -6.721 8.563 7.452 692 HA TYR 86 HA TYR 86 -6.945 11.005 8.988 693 HB2 TYR 86 HB2 TYR 86 -4.684 9.909 7.276 694 HB3 TYR 86 HB1 TYR 86 -4.569 11.381 8.240 695 HD1 TYR 86 HD1 TYR 86 -4.994 11.156 10.800 696 HD2 TYR 86 HD2 TYR 86 -4.156 7.802 8.292 697 HE1 TYR 86 HE1 TYR 86 -4.348 9.839 12.771 698 HE2 TYR 86 HE2 TYR 86 -3.508 6.486 10.263 699 HH TYR 86 HH TYR 86 -4.212 7.436 13.420 700 H TYR 87 H TYR 87 -6.891 10.185 5.509 701 HA TYR 87 HA TYR 87 -7.547 13.024 4.847 702 HB2 TYR 87 HB2 TYR 87 -5.914 11.075 3.136 703 HB3 TYR 87 HB1 TYR 87 -6.289 12.740 2.726 704 HD1 TYR 87 HD1 TYR 87 -4.204 10.557 4.874 705 HD2 TYR 87 HD2 TYR 87 -4.987 14.598 3.696 706 HE1 TYR 87 HE1 TYR 87 -2.085 11.267 5.904 707 HE2 TYR 87 HE2 TYR 87 -2.866 15.300 4.729 708 HH TYR 87 HH TYR 87 -1.331 14.464 6.558 709 HA PRO 88 HA PRO 88 -10.666 9.532 3.492 710 HB2 PRO 88 HB3 PRO 88 -13.038 10.742 4.301 711 HB3 PRO 88 HB2 PRO 88 -12.066 9.661 5.314 712 HG2 PRO 88 HG3 PRO 88 -12.106 12.679 5.256 713 HG3 PRO 88 HG2 PRO 88 -12.085 11.585 6.659 714 HD2 PRO 88 HD3 PRO 88 -9.836 12.818 5.823 715 HD3 PRO 88 HD2 PRO 88 -9.782 11.157 6.448 716 H GLN 89 H GLN 89 -11.284 13.044 3.123 717 HA GLN 89 HA GLN 89 -12.854 12.975 0.784 718 HB2 GLN 89 HB3 GLN 89 -12.562 15.004 2.192 719 HB3 GLN 89 HB2 GLN 89 -10.879 15.117 1.693 720 HG2 GLN 89 HG3 GLN 89 -11.651 15.480 -0.661 721 HG3 GLN 89 HG2 GLN 89 -13.318 15.473 -0.081 722 HE21 GLN 89 HE21 GLN 89 -13.691 17.597 -0.756 723 HE22 GLN 89 HE22 GLN 89 -12.972 18.961 0.016 724 H LEU 90 H LEU 90 -9.316 13.370 1.184 725 HA LEU 90 HA LEU 90 -8.706 13.490 -1.595 726 HB2 LEU 90 HB3 LEU 90 -7.237 14.384 0.267 727 HB3 LEU 90 HB2 LEU 90 -6.791 12.722 0.628 728 HG LEU 90 HG LEU 90 -5.877 12.492 -1.704 729 HD11 LEU 90 HD11 LEU 90 -5.508 14.479 -3.078 730 HD12 LEU 90 HD12 LEU 90 -6.403 15.470 -1.929 731 HD13 LEU 90 HD13 LEU 90 -7.227 14.193 -2.829 732 HD21 LEU 90 HD21 LEU 90 -3.830 13.780 -1.334 733 HD22 LEU 90 HD22 LEU 90 -4.370 13.000 0.150 734 HD23 LEU 90 HD23 LEU 90 -4.638 14.728 -0.083 735 H TYR 91 H TYR 91 -8.964 10.837 0.674 736 HA TYR 91 HA TYR 91 -7.873 8.725 -0.832 737 HB2 TYR 91 HB2 TYR 91 -8.420 8.391 1.513 738 HB3 TYR 91 HB1 TYR 91 -10.112 8.792 1.238 739 HD1 TYR 91 HD1 TYR 91 -11.662 7.013 0.942 740 HD2 TYR 91 HD2 TYR 91 -7.515 6.279 0.199 741 HE1 TYR 91 HE1 TYR 91 -12.149 4.630 0.562 742 HE2 TYR 91 HE2 TYR 91 -8.013 3.907 -0.174 743 HH TYR 91 HH TYR 91 -9.718 2.257 0.430 744 H LYS 92 H LYS 92 -11.237 9.922 -0.577 745 HA LYS 92 HA LYS 92 -12.329 8.345 -2.676 746 HB2 LYS 92 HB3 LYS 92 -13.276 10.935 -1.398 747 HB3 LYS 92 HB2 LYS 92 -14.232 10.026 -2.574 748 HG2 LYS 92 HG3 LYS 92 -14.182 8.060 -1.032 749 HG3 LYS 92 HG2 LYS 92 -13.320 9.048 0.154 750 HD2 LYS 92 HD3 LYS 92 -15.241 10.580 0.301 751 HD3 LYS 92 HD2 LYS 92 -16.091 9.662 -0.945 752 HE2 LYS 92 HE3 LYS 92 -15.322 8.633 1.809 753 HE3 LYS 92 HE2 LYS 92 -16.940 9.104 1.288 754 HZ1 LYS 92 HZ1 LYS 92 -16.593 6.696 1.234 755 HZ2 LYS 92 HZ2 LYS 92 -15.361 6.891 0.095 756 HZ3 LYS 92 HZ3 LYS 92 -16.946 7.318 -0.299 757 H LYS 93 H LYS 93 -10.626 11.444 -2.765 758 HA LYS 93 HA LYS 93 -11.217 12.178 -5.462 759 HB2 LYS 93 HB3 LYS 93 -8.775 12.820 -3.750 760 HB3 LYS 93 HB2 LYS 93 -9.097 13.564 -5.311 761 HG2 LYS 93 HG3 LYS 93 -10.905 13.798 -2.880 762 HG3 LYS 93 HG2 LYS 93 -9.703 14.998 -3.352 763 HD2 LYS 93 HD3 LYS 93 -12.064 14.142 -5.078 764 HD3 LYS 93 HD2 LYS 93 -12.047 15.572 -4.042 765 HE2 LYS 93 HE3 LYS 93 -10.246 16.561 -5.359 766 HE3 LYS 93 HE2 LYS 93 -10.101 15.091 -6.328 767 HZ1 LYS 93 HZ1 LYS 93 -12.332 15.457 -7.153 768 HZ2 LYS 93 HZ2 LYS 93 -11.348 16.790 -7.477 769 HZ3 LYS 93 HZ3 LYS 93 -12.475 16.863 -6.223 770 H VAL 94 H VAL 94 -8.378 10.443 -4.095 771 HA VAL 94 HA VAL 94 -7.109 10.113 -6.651 772 HB VAL 94 HB VAL 94 -5.325 8.932 -5.464 773 HG11 VAL 94 HG11 VAL 94 -5.323 11.395 -5.364 774 HG12 VAL 94 HG12 VAL 94 -4.634 10.714 -3.891 775 HG13 VAL 94 HG13 VAL 94 -6.278 11.355 -3.879 776 HG21 VAL 94 HG21 VAL 94 -5.414 8.469 -3.027 777 HG22 VAL 94 HG22 VAL 94 -6.646 7.553 -3.894 778 HG23 VAL 94 HG23 VAL 94 -7.100 8.995 -2.982 779 H THR 95 H THR 95 -9.273 8.111 -4.756 780 HA THR 95 HA THR 95 -8.977 5.840 -6.645 781 HB THR 95 HB THR 95 -10.314 4.509 -5.063 782 HG1 THR 95 HG1 THR 95 -10.365 6.310 -2.994 783 HG21 THR 95 HG21 THR 95 -7.878 4.609 -4.607 784 HG22 THR 95 HG22 THR 95 -8.794 4.464 -3.109 785 HG23 THR 95 HG23 THR 95 -8.123 6.025 -3.578 786 H GLY 96 H GLY 96 -10.439 8.585 -6.953 787 HA2 GLY 96 HA3 GLY 96 -13.239 8.044 -7.230 788 HA3 GLY 96 HA2 GLY 96 -12.381 9.462 -7.806 789 H LYS 97 H LYS 97 -10.578 7.416 -9.307 790 HA LYS 97 HA LYS 97 -10.334 6.399 -11.290 791 HB2 LYS 97 HB3 LYS 97 -13.323 5.837 -11.141 792 HB3 LYS 97 HB2 LYS 97 -12.198 5.063 -12.256 793 HG2 LYS 97 HG3 LYS 97 -11.010 4.014 -10.397 794 HG3 LYS 97 HG2 LYS 97 -12.023 4.869 -9.227 795 HD2 LYS 97 HD3 LYS 97 -14.016 3.657 -10.108 796 HD3 LYS 97 HD2 LYS 97 -12.968 2.779 -11.227 797 HE2 LYS 97 HE3 LYS 97 -11.761 1.788 -9.302 798 HE3 LYS 97 HE2 LYS 97 -12.818 2.664 -8.193 799 HZ1 LYS 97 HZ1 LYS 97 -13.684 0.600 -10.149 800 HZ2 LYS 97 HZ2 LYS 97 -14.701 1.449 -9.092 801 HZ3 LYS 97 HZ3 LYS 97 -13.537 0.389 -8.474 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -17.575 3.712 -7.652 2 H2 MET 1 HT2 MET 1 -18.414 3.510 -6.199 3 H3 MET 1 HT3 MET 1 -18.208 2.197 -7.243 4 HA MET 1 HA MET 1 -16.061 3.642 -5.827 5 HB2 MET 1 HB2 MET 1 -17.311 0.921 -5.285 6 HB3 MET 1 HB1 MET 1 -15.787 1.439 -4.575 7 HG2 MET 1 HG2 MET 1 -16.957 3.329 -3.480 8 HG3 MET 1 HG1 MET 1 -18.484 2.751 -4.150 9 HE1 MET 1 HE1 MET 1 -19.497 2.756 -1.637 10 HE2 MET 1 HE2 MET 1 -17.945 3.278 -0.981 11 HE3 MET 1 HE3 MET 1 -18.762 1.871 -0.301 12 H SER 2 H SER 2 -13.955 2.691 -6.032 13 HA SER 2 HA SER 2 -13.454 1.358 -8.633 14 HB2 SER 2 HB3 SER 2 -11.509 2.880 -8.926 15 HB3 SER 2 HB2 SER 2 -13.002 3.807 -8.766 16 HG SER 2 HG SER 2 -11.011 4.400 -7.475 17 H ASP 3 H ASP 3 -13.573 0.205 -5.891 18 HA ASP 3 HA ASP 3 -10.967 -0.511 -4.989 19 HB2 ASP 3 HB3 ASP 3 -13.608 -2.030 -4.707 20 HB3 ASP 3 HB2 ASP 3 -12.140 -2.363 -3.790 21 H TYR 4 H TYR 4 -9.570 -1.291 -6.505 22 HA TYR 4 HA TYR 4 -10.434 -3.282 -8.487 23 HB2 TYR 4 HB2 TYR 4 -7.807 -1.738 -8.293 24 HB3 TYR 4 HB1 TYR 4 -8.255 -2.823 -9.610 25 HD1 TYR 4 HD1 TYR 4 -7.767 0.467 -9.175 26 HD2 TYR 4 HD2 TYR 4 -11.026 -2.096 -10.246 27 HE1 TYR 4 HE1 TYR 4 -8.869 2.335 -10.331 28 HE2 TYR 4 HE2 TYR 4 -12.113 -0.220 -11.400 29 HH TYR 4 HH TYR 4 -10.552 2.632 -12.173 30 H GLU 5 H GLU 5 -9.996 -5.376 -8.331 31 HA GLU 5 HA GLU 5 -8.491 -6.594 -6.238 32 HB2 GLU 5 HB3 GLU 5 -10.429 -7.647 -7.482 33 HB3 GLU 5 HB2 GLU 5 -9.395 -7.829 -8.890 34 HG2 GLU 5 HG3 GLU 5 -8.753 -9.118 -6.217 35 HG3 GLU 5 HG2 GLU 5 -9.793 -9.893 -7.401 36 H ASN 6 H ASN 6 -6.410 -7.267 -6.180 37 HA ASN 6 HA ASN 6 -4.211 -7.478 -6.549 38 HB2 ASN 6 HB3 ASN 6 -4.803 -8.747 -8.620 39 HB3 ASN 6 HB2 ASN 6 -4.763 -7.243 -9.536 40 HD21 ASN 6 HD21 ASN 6 -3.063 -7.836 -10.860 41 HD22 ASN 6 HD22 ASN 6 -1.451 -8.070 -10.299 42 H ASP 7 H ASP 7 -2.541 -6.126 -6.384 43 HA ASP 7 HA ASP 7 -3.019 -3.318 -6.374 44 HB2 ASP 7 HB3 ASP 7 -0.709 -3.171 -5.484 45 HB3 ASP 7 HB2 ASP 7 -1.662 -4.387 -4.647 46 H ASP 8 H ASP 8 -1.206 -5.461 -8.572 47 HA ASP 8 HA ASP 8 0.550 -3.725 -9.826 48 HB2 ASP 8 HB3 ASP 8 -0.931 -6.095 -11.050 49 HB3 ASP 8 HB2 ASP 8 0.443 -5.298 -11.809 50 H GLU 9 H GLU 9 -2.778 -4.455 -10.923 51 HA GLU 9 HA GLU 9 -2.803 -2.663 -13.129 52 HB2 GLU 9 HB3 GLU 9 -5.075 -3.962 -11.578 53 HB3 GLU 9 HB2 GLU 9 -5.363 -2.913 -12.959 54 HG2 GLU 9 HG3 GLU 9 -5.491 -5.147 -13.751 55 HG3 GLU 9 HG2 GLU 9 -3.991 -4.469 -14.368 56 H CYS 10 H CYS 10 -3.809 -2.247 -9.736 57 HA CYS 10 HA CYS 10 -5.064 0.316 -10.237 58 HB2 CYS 10 HB3 CYS 10 -5.877 -1.227 -8.464 59 HB3 CYS 10 HB2 CYS 10 -4.399 -0.924 -7.547 60 HG CYS 10 HG CYS 10 -6.609 1.533 -8.446 61 H TRP 11 H TRP 11 -1.822 -0.696 -9.344 62 HA TRP 11 HA TRP 11 -0.903 1.812 -8.310 63 HB2 TRP 11 HB2 TRP 11 0.507 -0.669 -9.302 64 HB3 TRP 11 HB1 TRP 11 1.448 0.798 -9.095 65 HD1 TRP 11 HD1 TRP 11 0.646 -2.208 -7.237 66 HE1 TRP 11 HE1 TRP 11 1.028 -1.909 -4.719 67 HE3 TRP 11 HE3 TRP 11 0.940 2.913 -7.040 68 HZ2 TRP 11 HZ2 TRP 11 1.432 0.192 -2.877 69 HZ3 TRP 11 HZ3 TRP 11 1.335 3.986 -4.854 70 HH2 TRP 11 HH2 TRP 11 1.576 2.651 -2.815 71 H SER 12 H SER 12 -1.355 0.586 -11.583 72 HA SER 12 HA SER 12 0.224 2.605 -12.900 73 HB2 SER 12 HB3 SER 12 -0.715 1.813 -14.990 74 HB3 SER 12 HB2 SER 12 -0.404 0.406 -13.975 75 HG SER 12 HG SER 12 -2.463 -0.022 -13.966 76 H VAL 13 H VAL 13 -3.157 2.411 -11.864 77 HA VAL 13 HA VAL 13 -3.975 5.001 -12.815 78 HB VAL 13 HB VAL 13 -5.015 3.260 -10.524 79 HG11 VAL 13 HG11 VAL 13 -6.212 5.900 -11.489 80 HG12 VAL 13 HG12 VAL 13 -5.518 5.584 -9.889 81 HG13 VAL 13 HG13 VAL 13 -7.005 4.770 -10.385 82 HG21 VAL 13 HG21 VAL 13 -6.192 3.866 -13.265 83 HG22 VAL 13 HG22 VAL 13 -6.947 2.858 -12.026 84 HG23 VAL 13 HG23 VAL 13 -5.429 2.354 -12.769 85 H LEU 14 H LEU 14 -2.942 3.816 -9.619 86 HA LEU 14 HA LEU 14 -3.163 6.371 -8.370 87 HB2 LEU 14 HB3 LEU 14 -2.128 3.703 -7.359 88 HB3 LEU 14 HB2 LEU 14 -2.198 5.146 -6.363 89 HG LEU 14 HG LEU 14 -4.519 3.539 -7.482 90 HD11 LEU 14 HD11 LEU 14 -5.226 3.365 -5.167 91 HD12 LEU 14 HD12 LEU 14 -3.912 4.420 -4.630 92 HD13 LEU 14 HD13 LEU 14 -3.555 2.824 -5.313 93 HD21 LEU 14 HD21 LEU 14 -5.112 5.852 -7.954 94 HD22 LEU 14 HD22 LEU 14 -4.701 6.344 -6.308 95 HD23 LEU 14 HD23 LEU 14 -6.072 5.265 -6.597 96 H GLU 15 H GLU 15 -0.421 4.924 -10.036 97 HA GLU 15 HA GLU 15 1.648 6.352 -8.705 98 HB2 GLU 15 HB3 GLU 15 2.908 6.206 -10.863 99 HB3 GLU 15 HB2 GLU 15 2.164 4.669 -10.436 100 HG2 GLU 15 HG3 GLU 15 0.395 5.009 -12.065 101 HG3 GLU 15 HG2 GLU 15 0.986 6.629 -12.428 102 H GLY 16 H GLY 16 -0.784 7.378 -11.003 103 HA2 GLY 16 HA3 GLY 16 0.031 9.951 -11.704 104 HA3 GLY 16 HA2 GLY 16 -1.630 9.401 -11.604 105 H PHE 17 H PHE 17 -1.269 8.851 -8.566 106 HA PHE 17 HA PHE 17 -1.955 11.553 -7.751 107 HB2 PHE 17 HB2 PHE 17 -2.573 10.665 -5.576 108 HB3 PHE 17 HB1 PHE 17 -3.304 9.752 -6.830 109 HD1 PHE 17 HD1 PHE 17 0.209 8.920 -5.783 110 HD2 PHE 17 HD2 PHE 17 -3.951 8.044 -5.240 111 HE1 PHE 17 HE1 PHE 17 0.798 6.887 -4.525 112 HE2 PHE 17 HE2 PHE 17 -3.332 6.028 -3.965 113 HZ PHE 17 HZ PHE 17 -0.974 5.439 -3.619 114 H ARG 18 H ARG 18 0.981 9.906 -7.997 115 HA ARG 18 HA ARG 18 2.326 10.347 -5.633 116 HB2 ARG 18 HB3 ARG 18 3.267 9.114 -7.542 117 HB3 ARG 18 HB2 ARG 18 3.479 10.611 -8.435 118 HG2 ARG 18 HG3 ARG 18 5.164 11.377 -6.820 119 HG3 ARG 18 HG2 ARG 18 4.906 9.927 -5.838 120 HD2 ARG 18 HD3 ARG 18 5.701 8.521 -7.704 121 HD3 ARG 18 HD2 ARG 18 5.937 9.964 -8.697 122 HE ARG 18 HE ARG 18 7.523 10.610 -6.731 123 HH11 ARG 18 HH11 ARG 18 7.162 7.439 -8.058 124 HH12 ARG 18 HH12 ARG 18 8.794 6.998 -7.700 125 HH21 ARG 18 HH21 ARG 18 9.592 10.014 -6.274 126 HH22 ARG 18 HH22 ARG 18 10.140 8.432 -6.700 127 H VAL 19 H VAL 19 2.419 12.679 -8.393 128 HA VAL 19 HA VAL 19 3.719 14.788 -7.097 129 HB VAL 19 HB VAL 19 3.425 14.678 -9.538 130 HG11 VAL 19 HG11 VAL 19 1.117 13.846 -9.677 131 HG12 VAL 19 HG12 VAL 19 1.312 15.304 -10.652 132 HG13 VAL 19 HG13 VAL 19 0.504 15.394 -9.087 133 HG21 VAL 19 HG21 VAL 19 4.002 16.858 -8.547 134 HG22 VAL 19 HG22 VAL 19 2.290 17.256 -8.380 135 HG23 VAL 19 HG23 VAL 19 3.000 17.076 -9.985 136 H THR 20 H THR 20 0.282 13.955 -7.019 137 HA THR 20 HA THR 20 -0.732 16.350 -5.843 138 HB THR 20 HB THR 20 -1.906 13.537 -5.719 139 HG1 THR 20 HG1 THR 20 -2.994 14.121 -7.611 140 HG21 THR 20 HG21 THR 20 -3.273 16.241 -5.402 141 HG22 THR 20 HG22 THR 20 -3.014 15.053 -4.123 142 HG23 THR 20 HG23 THR 20 -4.092 14.679 -5.466 143 H LEU 21 H LEU 21 -0.274 13.091 -4.366 144 HA LEU 21 HA LEU 21 -0.590 13.741 -1.683 145 HB2 LEU 21 HB3 LEU 21 1.456 11.689 -2.563 146 HB3 LEU 21 HB2 LEU 21 0.492 11.710 -1.096 147 HG LEU 21 HG LEU 21 -0.349 10.949 -3.895 148 HD11 LEU 21 HD11 LEU 21 -0.973 8.843 -2.816 149 HD12 LEU 21 HD12 LEU 21 -0.367 9.455 -1.270 150 HD13 LEU 21 HD13 LEU 21 0.736 9.227 -2.639 151 HD21 LEU 21 HD21 LEU 21 -2.188 12.328 -3.060 152 HD22 LEU 21 HD22 LEU 21 -2.259 11.377 -1.579 153 HD23 LEU 21 HD23 LEU 21 -2.658 10.630 -3.125 154 H THR 22 H THR 22 2.438 13.843 -3.578 155 HA THR 22 HA THR 22 4.226 14.386 -1.457 156 HB THR 22 HB THR 22 5.820 15.167 -3.199 157 HG1 THR 22 HG1 THR 22 3.697 15.818 -4.579 158 HG21 THR 22 HG21 THR 22 5.656 12.761 -2.823 159 HG22 THR 22 HG22 THR 22 5.924 13.083 -4.535 160 HG23 THR 22 HG23 THR 22 4.315 12.646 -3.964 161 H SER 23 H SER 23 1.963 16.460 -3.016 162 HA SER 23 HA SER 23 3.117 18.930 -1.899 163 HB2 SER 23 HB3 SER 23 2.246 19.005 -4.218 164 HB3 SER 23 HB2 SER 23 0.649 18.521 -3.645 165 HG SER 23 HG SER 23 1.391 20.930 -3.946 166 H VAL 24 H VAL 24 0.291 16.772 -1.487 167 HA VAL 24 HA VAL 24 -0.864 18.560 0.576 168 HB VAL 24 HB VAL 24 -2.143 16.125 -0.736 169 HG11 VAL 24 HG11 VAL 24 -4.282 16.980 0.199 170 HG12 VAL 24 HG12 VAL 24 -3.406 18.269 1.028 171 HG13 VAL 24 HG13 VAL 24 -3.128 16.586 1.474 172 HG21 VAL 24 HG21 VAL 24 -2.558 19.074 -1.373 173 HG22 VAL 24 HG22 VAL 24 -3.459 17.732 -2.083 174 HG23 VAL 24 HG23 VAL 24 -1.731 17.897 -2.397 175 H ILE 25 H ILE 25 -0.258 15.031 0.212 176 HA ILE 25 HA ILE 25 -0.732 14.473 3.004 177 HB ILE 25 HB ILE 25 0.171 12.715 0.678 178 HG12 ILE 25 HG12 ILE 25 -2.416 12.952 2.252 179 HG13 ILE 25 HG11 ILE 25 -2.150 13.418 0.578 180 HG21 ILE 25 HG21 ILE 25 1.237 11.760 2.678 181 HG22 ILE 25 HG22 ILE 25 -0.072 10.720 2.118 182 HG23 ILE 25 HG23 ILE 25 -0.311 11.759 3.523 183 HD11 ILE 25 HD11 ILE 25 -1.809 11.031 0.028 184 HD12 ILE 25 HD12 ILE 25 -3.407 11.397 0.676 185 HD13 ILE 25 HD13 ILE 25 -2.196 10.631 1.701 186 H ASP 26 H ASP 26 0.690 14.388 4.648 187 HA ASP 26 HA ASP 26 3.554 14.663 4.266 188 HB2 ASP 26 HB3 ASP 26 2.086 14.002 6.864 189 HB3 ASP 26 HB2 ASP 26 3.689 14.706 6.697 190 HA PRO 27 HA PRO 27 4.220 10.168 4.359 191 HB2 PRO 27 HB3 PRO 27 6.934 10.117 4.443 192 HB3 PRO 27 HB2 PRO 27 6.058 10.624 2.994 193 HG2 PRO 27 HG3 PRO 27 7.418 12.316 5.079 194 HG3 PRO 27 HG2 PRO 27 7.379 12.527 3.315 195 HD2 PRO 27 HD3 PRO 27 5.757 13.904 5.118 196 HD3 PRO 27 HD2 PRO 27 5.387 13.686 3.397 197 H SER 28 H SER 28 5.706 12.326 6.731 198 HA SER 28 HA SER 28 6.391 10.467 8.757 199 HB2 SER 28 HB3 SER 28 5.880 13.469 8.942 200 HB3 SER 28 HB2 SER 28 6.746 12.498 10.131 201 HG SER 28 HG SER 28 8.242 13.491 8.813 202 H ARG 29 H ARG 29 3.448 12.191 7.967 203 HA ARG 29 HA ARG 29 1.931 12.234 10.279 204 HB2 ARG 29 HB3 ARG 29 1.228 13.180 8.091 205 HB3 ARG 29 HB2 ARG 29 1.016 11.563 7.445 206 HG2 ARG 29 HG3 ARG 29 -1.171 12.217 7.907 207 HG3 ARG 29 HG2 ARG 29 -0.763 11.274 9.338 208 HD2 ARG 29 HD3 ARG 29 -1.932 13.289 10.008 209 HD3 ARG 29 HD2 ARG 29 -0.253 13.404 10.545 210 HE ARG 29 HE ARG 29 -0.023 14.729 8.291 211 HH11 ARG 29 HH11 ARG 29 -2.717 14.953 10.459 212 HH12 ARG 29 HH12 ARG 29 -3.029 16.600 10.052 213 HH21 ARG 29 HH21 ARG 29 -0.454 16.836 7.804 214 HH22 ARG 29 HH22 ARG 29 -1.768 17.651 8.580 215 H ILE 30 H ILE 30 2.537 9.509 8.118 216 HA ILE 30 HA ILE 30 0.776 7.721 9.706 217 HB ILE 30 HB ILE 30 0.278 6.513 7.589 218 HG12 ILE 30 HG12 ILE 30 1.832 8.792 6.235 219 HG13 ILE 30 HG11 ILE 30 2.351 7.114 6.313 220 HG21 ILE 30 HG21 ILE 30 -1.249 8.199 6.626 221 HG22 ILE 30 HG22 ILE 30 -0.375 9.491 7.451 222 HG23 ILE 30 HG23 ILE 30 -1.261 8.286 8.389 223 HD11 ILE 30 HD11 ILE 30 -0.047 8.180 4.833 224 HD12 ILE 30 HD12 ILE 30 0.405 6.477 4.946 225 HD13 ILE 30 HD13 ILE 30 1.473 7.623 4.135 226 H THR 31 H THR 31 4.013 8.229 9.119 227 HA THR 31 HA THR 31 5.148 5.815 8.392 228 HB THR 31 HB THR 31 7.049 6.506 10.177 229 HG1 THR 31 HG1 THR 31 6.720 8.312 11.139 230 HG21 THR 31 HG21 THR 31 7.341 6.615 7.725 231 HG22 THR 31 HG22 THR 31 8.066 8.004 8.543 232 HG23 THR 31 HG23 THR 31 6.519 8.179 7.705 233 HA PRO 32 HA PRO 32 5.029 4.116 13.037 234 HB2 PRO 32 HB3 PRO 32 2.895 5.032 14.584 235 HB3 PRO 32 HB2 PRO 32 4.553 5.638 14.695 236 HG2 PRO 32 HG3 PRO 32 2.207 6.795 13.199 237 HG3 PRO 32 HG2 PRO 32 3.445 7.624 14.164 238 HD2 PRO 32 HD3 PRO 32 3.557 7.612 11.482 239 HD3 PRO 32 HD2 PRO 32 5.032 7.534 12.467 240 H TYR 33 H TYR 33 1.901 5.060 11.559 241 HA TYR 33 HA TYR 33 0.473 2.673 11.973 242 HB2 TYR 33 HB2 TYR 33 -0.721 4.671 11.295 243 HB3 TYR 33 HB1 TYR 33 0.208 4.786 9.806 244 HD1 TYR 33 HD1 TYR 33 -0.424 3.483 7.835 245 HD2 TYR 33 HD2 TYR 33 -2.478 2.851 11.532 246 HE1 TYR 33 HE1 TYR 33 -2.114 2.146 6.671 247 HE2 TYR 33 HE2 TYR 33 -4.182 1.517 10.350 248 HH TYR 33 HH TYR 33 -3.755 0.505 7.061 249 H LEU 34 H LEU 34 2.649 3.659 9.353 250 HA LEU 34 HA LEU 34 2.094 1.552 7.543 251 HB2 LEU 34 HB3 LEU 34 4.476 3.413 7.784 252 HB3 LEU 34 HB2 LEU 34 4.283 2.274 6.458 253 HG LEU 34 HG LEU 34 2.350 4.544 7.081 254 HD11 LEU 34 HD11 LEU 34 4.489 5.431 6.345 255 HD12 LEU 34 HD12 LEU 34 3.273 5.655 5.091 256 HD13 LEU 34 HD13 LEU 34 4.478 4.374 4.932 257 HD21 LEU 34 HD21 LEU 34 1.330 4.042 4.899 258 HD22 LEU 34 HD22 LEU 34 1.224 2.649 5.971 259 HD23 LEU 34 HD23 LEU 34 2.426 2.675 4.679 260 H ARG 35 H ARG 35 4.925 1.984 9.789 261 HA ARG 35 HA ARG 35 5.797 -0.725 9.246 262 HB2 ARG 35 HB3 ARG 35 7.432 -0.340 11.196 263 HB3 ARG 35 HB2 ARG 35 7.617 0.608 9.734 264 HG2 ARG 35 HG3 ARG 35 8.008 2.139 11.435 265 HG3 ARG 35 HG2 ARG 35 6.344 2.468 10.965 266 HD2 ARG 35 HD3 ARG 35 5.513 1.291 12.931 267 HD3 ARG 35 HD2 ARG 35 7.157 0.784 13.362 268 HE ARG 35 HE ARG 35 6.822 3.630 13.092 269 HH11 ARG 35 HH11 ARG 35 6.639 1.043 15.382 270 HH12 ARG 35 HH12 ARG 35 6.912 2.101 16.717 271 HH21 ARG 35 HH21 ARG 35 7.184 4.913 14.762 272 HH22 ARG 35 HH22 ARG 35 7.206 4.284 16.373 273 H GLN 36 H GLN 36 3.663 0.658 11.723 274 HA GLN 36 HA GLN 36 3.320 -1.600 13.383 275 HB2 GLN 36 HB3 GLN 36 2.219 0.536 13.863 276 HB3 GLN 36 HB2 GLN 36 1.250 0.409 12.404 277 HG2 GLN 36 HG3 GLN 36 0.093 -1.567 13.375 278 HG3 GLN 36 HG2 GLN 36 1.034 -1.368 14.853 279 HE21 GLN 36 HE21 GLN 36 -1.865 -1.254 14.432 280 HE22 GLN 36 HE22 GLN 36 -2.371 0.289 15.012 281 H CYS 37 H CYS 37 1.860 -0.874 10.216 282 HA CYS 37 HA CYS 37 0.465 -3.413 9.986 283 HB2 CYS 37 HB3 CYS 37 0.906 -1.187 7.961 284 HB3 CYS 37 HB2 CYS 37 -0.159 -2.574 7.718 285 HG CYS 37 HG CYS 37 -1.109 -1.307 10.515 286 H LYS 38 H LYS 38 3.652 -2.813 9.903 287 HA LYS 38 HA LYS 38 5.514 -3.776 9.129 288 HB2 LYS 38 HB3 LYS 38 3.762 -6.123 8.315 289 HB3 LYS 38 HB2 LYS 38 5.500 -6.158 8.538 290 HG2 LYS 38 HG3 LYS 38 4.887 -7.069 10.556 291 HG3 LYS 38 HG2 LYS 38 4.847 -5.368 11.025 292 HD2 LYS 38 HD3 LYS 38 2.402 -5.319 10.699 293 HD3 LYS 38 HD2 LYS 38 2.427 -6.984 10.123 294 HE2 LYS 38 HE3 LYS 38 1.647 -6.979 12.412 295 HE3 LYS 38 HE2 LYS 38 3.262 -7.688 12.389 296 HZ1 LYS 38 HZ1 LYS 38 2.596 -4.897 13.151 297 HZ2 LYS 38 HZ2 LYS 38 4.154 -5.561 13.130 298 HZ3 LYS 38 HZ3 LYS 38 3.000 -6.148 14.216 299 H VAL 39 H VAL 39 3.682 -2.291 7.052 300 HA VAL 39 HA VAL 39 4.575 -3.420 4.510 301 HB VAL 39 HB VAL 39 3.324 -1.686 3.385 302 HG11 VAL 39 HG11 VAL 39 1.052 -2.042 4.278 303 HG12 VAL 39 HG12 VAL 39 1.732 -2.657 5.786 304 HG13 VAL 39 HG13 VAL 39 1.989 -3.538 4.279 305 HG21 VAL 39 HG21 VAL 39 3.931 0.276 4.745 306 HG22 VAL 39 HG22 VAL 39 2.924 -0.304 6.069 307 HG23 VAL 39 HG23 VAL 39 2.179 0.182 4.545 308 H LEU 40 H LEU 40 5.576 -0.966 6.725 309 HA LEU 40 HA LEU 40 7.793 -0.100 4.951 310 HB2 LEU 40 HB3 LEU 40 6.035 1.632 5.757 311 HB3 LEU 40 HB2 LEU 40 6.704 1.407 7.363 312 HG LEU 40 HG LEU 40 8.948 2.168 6.458 313 HD11 LEU 40 HD11 LEU 40 8.587 1.657 4.088 314 HD12 LEU 40 HD12 LEU 40 9.023 3.348 4.311 315 HD13 LEU 40 HD13 LEU 40 7.344 2.911 3.989 316 HD21 LEU 40 HD21 LEU 40 8.375 4.567 6.439 317 HD22 LEU 40 HD22 LEU 40 7.512 3.714 7.716 318 HD23 LEU 40 HD23 LEU 40 6.666 4.169 6.235 319 H ASN 41 H ASN 41 9.916 -0.169 5.850 320 HA ASN 41 HA ASN 41 10.273 -1.617 8.386 321 HB2 ASN 41 HB3 ASN 41 12.331 -0.613 6.373 322 HB3 ASN 41 HB2 ASN 41 12.721 -1.529 7.824 323 HD21 ASN 41 HD21 ASN 41 13.618 -3.256 6.732 324 HD22 ASN 41 HD22 ASN 41 12.694 -4.340 5.757 325 HA PRO 42 HA PRO 42 11.071 2.066 10.920 326 HB2 PRO 42 HB3 PRO 42 13.225 1.131 12.455 327 HB3 PRO 42 HB2 PRO 42 11.522 0.822 12.813 328 HG2 PRO 42 HG3 PRO 42 13.502 -0.925 11.349 329 HG3 PRO 42 HG2 PRO 42 12.318 -1.379 12.597 330 HD2 PRO 42 HD3 PRO 42 11.802 -1.868 10.024 331 HD3 PRO 42 HD2 PRO 42 10.505 -1.272 11.087 332 H ASP 43 H ASP 43 13.696 0.508 9.135 333 HA ASP 43 HA ASP 43 15.637 2.562 9.109 334 HB2 ASP 43 HB3 ASP 43 14.999 0.547 6.912 335 HB3 ASP 43 HB2 ASP 43 16.524 1.413 7.115 336 H ASP 44 H ASP 44 13.117 1.750 6.742 337 HA ASP 44 HA ASP 44 13.426 4.045 5.080 338 HB2 ASP 44 HB3 ASP 44 11.085 2.116 5.316 339 HB3 ASP 44 HB2 ASP 44 11.348 3.255 3.995 340 H GLU 45 H GLU 45 11.551 3.433 7.964 341 HA GLU 45 HA GLU 45 9.932 5.785 7.874 342 HB2 GLU 45 HB3 GLU 45 9.277 3.993 9.348 343 HB3 GLU 45 HB2 GLU 45 10.846 3.985 10.147 344 HG2 GLU 45 HG3 GLU 45 10.392 6.145 11.162 345 HG3 GLU 45 HG2 GLU 45 8.873 6.273 10.283 346 H GLU 46 H GLU 46 13.138 5.079 9.328 347 HA GLU 46 HA GLU 46 13.514 7.506 10.703 348 HB2 GLU 46 HB3 GLU 46 15.489 5.436 9.701 349 HB3 GLU 46 HB2 GLU 46 16.031 6.874 10.557 350 HG2 GLU 46 HG3 GLU 46 14.092 4.831 11.684 351 HG3 GLU 46 HG2 GLU 46 15.826 4.852 11.999 352 H GLN 47 H GLN 47 14.498 6.614 7.363 353 HA GLN 47 HA GLN 47 15.954 8.943 6.749 354 HB2 GLN 47 HB3 GLN 47 15.631 8.407 4.384 355 HB3 GLN 47 HB2 GLN 47 15.975 6.944 5.296 356 HG2 GLN 47 HG3 GLN 47 13.595 6.336 5.241 357 HG3 GLN 47 HG2 GLN 47 13.226 7.821 4.364 358 HE21 GLN 47 HE21 GLN 47 12.356 6.617 2.635 359 HE22 GLN 47 HE22 GLN 47 13.357 5.751 1.527 360 H VAL 48 H VAL 48 12.507 8.427 6.861 361 HA VAL 48 HA VAL 48 11.717 10.907 5.586 362 HB VAL 48 HB VAL 48 10.163 8.796 7.153 363 HG11 VAL 48 HG11 VAL 48 8.084 9.883 6.340 364 HG12 VAL 48 HG12 VAL 48 9.043 11.219 5.704 365 HG13 VAL 48 HG13 VAL 48 8.993 10.919 7.441 366 HG21 VAL 48 HG21 VAL 48 10.249 9.402 4.167 367 HG22 VAL 48 HG22 VAL 48 9.253 8.164 4.937 368 HG23 VAL 48 HG23 VAL 48 11.011 8.026 4.970 369 H LEU 49 H LEU 49 11.607 9.651 8.954 370 HA LEU 49 HA LEU 49 10.623 12.080 10.122 371 HB2 LEU 49 HB3 LEU 49 11.741 9.531 11.319 372 HB3 LEU 49 HB2 LEU 49 11.148 10.852 12.312 373 HG LEU 49 HG LEU 49 9.453 9.300 10.308 374 HD11 LEU 49 HD11 LEU 49 9.418 9.107 13.333 375 HD12 LEU 49 HD12 LEU 49 10.127 7.913 12.241 376 HD13 LEU 49 HD13 LEU 49 8.394 8.224 12.190 377 HD21 LEU 49 HD21 LEU 49 7.540 10.450 11.332 378 HD22 LEU 49 HD22 LEU 49 8.660 11.604 10.616 379 HD23 LEU 49 HD23 LEU 49 8.632 11.376 12.367 380 H SER 50 H SER 50 13.819 11.052 9.340 381 HA SER 50 HA SER 50 15.154 12.891 11.190 382 HB2 SER 50 HB3 SER 50 16.182 10.667 10.737 383 HB3 SER 50 HB2 SER 50 16.361 11.093 9.038 384 HG SER 50 HG SER 50 17.888 12.601 9.575 385 H ASP 51 H ASP 51 13.450 13.472 8.487 386 HA ASP 51 HA ASP 51 15.055 15.062 6.816 387 HB2 ASP 51 HB3 ASP 51 12.537 14.352 6.558 388 HB3 ASP 51 HB2 ASP 51 12.169 15.817 7.455 389 HA PRO 52 HA PRO 52 16.566 17.945 9.898 390 HB2 PRO 52 HB3 PRO 52 17.303 20.037 8.141 391 HB3 PRO 52 HB2 PRO 52 18.297 18.640 8.567 392 HG2 PRO 52 HG3 PRO 52 16.514 19.044 6.170 393 HG3 PRO 52 HG2 PRO 52 18.139 18.327 6.253 394 HD2 PRO 52 HD3 PRO 52 16.004 16.754 6.044 395 HD3 PRO 52 HD2 PRO 52 17.331 16.294 7.139 396 H ASN 53 H ASN 53 14.196 19.172 7.539 397 HA ASN 53 HA ASN 53 12.915 20.894 9.527 398 HB2 ASN 53 HB3 ASN 53 14.083 22.097 6.965 399 HB3 ASN 53 HB2 ASN 53 12.958 22.928 8.035 400 HD21 ASN 53 HD21 ASN 53 16.241 21.826 7.633 401 HD22 ASN 53 HD22 ASN 53 16.903 22.700 8.963 402 H LEU 54 H LEU 54 12.505 18.539 7.481 403 HA LEU 54 HA LEU 54 10.967 17.674 6.094 404 HB2 LEU 54 HB3 LEU 54 9.213 19.669 7.543 405 HB3 LEU 54 HB2 LEU 54 8.556 18.596 6.322 406 HG LEU 54 HG LEU 54 8.133 17.691 8.539 407 HD11 LEU 54 HD11 LEU 54 8.483 16.086 6.730 408 HD12 LEU 54 HD12 LEU 54 9.009 15.430 8.277 409 HD13 LEU 54 HD13 LEU 54 10.204 16.012 7.115 410 HD21 LEU 54 HD21 LEU 54 9.885 16.962 10.081 411 HD22 LEU 54 HD22 LEU 54 9.955 18.701 9.805 412 HD23 LEU 54 HD23 LEU 54 11.118 17.638 9.010 413 H VAL 55 H VAL 55 12.691 19.646 5.061 414 HA VAL 55 HA VAL 55 11.341 21.277 3.093 415 HB VAL 55 HB VAL 55 14.286 20.473 3.308 416 HG11 VAL 55 HG11 VAL 55 13.764 21.166 1.008 417 HG12 VAL 55 HG12 VAL 55 14.767 22.383 1.795 418 HG13 VAL 55 HG13 VAL 55 13.035 22.663 1.595 419 HG21 VAL 55 HG21 VAL 55 13.532 21.746 5.273 420 HG22 VAL 55 HG22 VAL 55 12.908 23.027 4.234 421 HG23 VAL 55 HG23 VAL 55 14.644 22.712 4.300 422 H ILE 56 H ILE 56 12.908 18.105 3.183 423 HA ILE 56 HA ILE 56 12.715 17.655 0.295 424 HB ILE 56 HB ILE 56 13.723 15.741 2.453 425 HG12 ILE 56 HG12 ILE 56 14.987 17.859 2.616 426 HG13 ILE 56 HG11 ILE 56 16.020 16.580 1.994 427 HG21 ILE 56 HG21 ILE 56 13.330 14.606 0.317 428 HG22 ILE 56 HG22 ILE 56 15.060 14.697 0.645 429 HG23 ILE 56 HG23 ILE 56 14.327 15.793 -0.529 430 HD11 ILE 56 HD11 ILE 56 14.732 18.773 0.360 431 HD12 ILE 56 HD12 ILE 56 15.772 17.492 -0.272 432 HD13 ILE 56 HD13 ILE 56 16.421 18.679 0.857 433 H ARG 57 H ARG 57 10.469 17.615 2.593 434 HA ARG 57 HA ARG 57 9.020 15.364 2.901 435 HB2 ARG 57 HB3 ARG 57 8.393 17.546 3.812 436 HB3 ARG 57 HB2 ARG 57 7.986 18.131 2.206 437 HG2 ARG 57 HG3 ARG 57 6.130 16.394 2.148 438 HG3 ARG 57 HG2 ARG 57 6.486 16.066 3.848 439 HD2 ARG 57 HD3 ARG 57 6.013 18.433 4.397 440 HD3 ARG 57 HD2 ARG 57 5.660 18.757 2.695 441 HE ARG 57 HE ARG 57 4.060 17.021 4.474 442 HH11 ARG 57 HH11 ARG 57 4.199 19.006 1.628 443 HH12 ARG 57 HH12 ARG 57 2.479 19.064 1.492 444 HH21 ARG 57 HH21 ARG 57 1.901 17.149 4.264 445 HH22 ARG 57 HH22 ARG 57 1.200 18.024 2.951 446 H LYS 58 H LYS 58 8.742 17.435 -0.022 447 HA LYS 58 HA LYS 58 6.795 15.992 -1.437 448 HB2 LYS 58 HB3 LYS 58 7.501 18.268 -2.065 449 HB3 LYS 58 HB2 LYS 58 9.097 17.681 -2.510 450 HG2 LYS 58 HG3 LYS 58 8.023 16.313 -4.322 451 HG3 LYS 58 HG2 LYS 58 6.481 17.056 -3.906 452 HD2 LYS 58 HD3 LYS 58 7.320 18.238 -5.812 453 HD3 LYS 58 HD2 LYS 58 7.523 19.313 -4.433 454 HE2 LYS 58 HE3 LYS 58 9.758 17.592 -5.563 455 HE3 LYS 58 HE2 LYS 58 9.461 19.251 -6.070 456 HZ1 LYS 58 HZ1 LYS 58 11.193 19.170 -4.430 457 HZ2 LYS 58 HZ2 LYS 58 10.196 18.360 -3.335 458 HZ3 LYS 58 HZ3 LYS 58 9.846 19.953 -3.772 459 H ARG 59 H ARG 59 10.359 15.669 -1.554 460 HA ARG 59 HA ARG 59 10.337 13.482 -3.420 461 HB2 ARG 59 HB3 ARG 59 12.278 15.006 -3.151 462 HB3 ARG 59 HB2 ARG 59 12.535 14.383 -1.527 463 HG2 ARG 59 HG3 ARG 59 13.173 12.219 -2.365 464 HG3 ARG 59 HG2 ARG 59 12.659 12.635 -4.003 465 HD2 ARG 59 HD3 ARG 59 14.971 13.897 -2.486 466 HD3 ARG 59 HD2 ARG 59 15.115 12.705 -3.785 467 HE ARG 59 HE ARG 59 13.976 15.420 -4.165 468 HH11 ARG 59 HH11 ARG 59 15.949 12.828 -5.357 469 HH12 ARG 59 HH12 ARG 59 16.391 13.702 -6.778 470 HH21 ARG 59 HH21 ARG 59 14.541 16.479 -6.013 471 HH22 ARG 59 HH22 ARG 59 15.589 15.722 -7.158 472 H LYS 60 H LYS 60 10.161 13.714 0.106 473 HA LYS 60 HA LYS 60 10.861 11.037 0.745 474 HB2 LYS 60 HB3 LYS 60 9.250 13.068 2.325 475 HB3 LYS 60 HB2 LYS 60 9.728 11.499 2.969 476 HG2 LYS 60 HG3 LYS 60 11.598 13.708 2.066 477 HG3 LYS 60 HG2 LYS 60 11.225 13.279 3.738 478 HD2 LYS 60 HD3 LYS 60 12.276 11.063 3.415 479 HD3 LYS 60 HD2 LYS 60 12.610 11.451 1.723 480 HE2 LYS 60 HE3 LYS 60 14.615 11.736 3.141 481 HE3 LYS 60 HE2 LYS 60 14.113 13.267 2.421 482 HZ1 LYS 60 HZ1 LYS 60 13.569 12.377 5.199 483 HZ2 LYS 60 HZ2 LYS 60 13.017 13.823 4.518 484 HZ3 LYS 60 HZ3 LYS 60 14.672 13.563 4.723 485 H VAL 61 H VAL 61 7.636 12.580 0.263 486 HA VAL 61 HA VAL 61 6.093 10.236 0.739 487 HB VAL 61 HB VAL 61 5.302 12.497 -1.151 488 HG11 VAL 61 HG11 VAL 61 3.552 10.526 0.373 489 HG12 VAL 61 HG12 VAL 61 3.844 10.522 -1.366 490 HG13 VAL 61 HG13 VAL 61 2.965 11.860 -0.626 491 HG21 VAL 61 HG21 VAL 61 4.813 12.334 1.828 492 HG22 VAL 61 HG22 VAL 61 4.175 13.571 0.740 493 HG23 VAL 61 HG23 VAL 61 5.913 13.445 1.011 494 H GLY 62 H GLY 62 7.504 11.580 -2.246 495 HA2 GLY 62 HA3 GLY 62 6.484 9.752 -4.133 496 HA3 GLY 62 HA2 GLY 62 7.963 10.679 -4.310 497 H VAL 63 H VAL 63 9.626 9.678 -2.436 498 HA VAL 63 HA VAL 63 10.516 7.160 -3.378 499 HB VAL 63 HB VAL 63 11.292 8.656 -0.829 500 HG11 VAL 63 HG11 VAL 63 11.862 6.276 -0.568 501 HG12 VAL 63 HG12 VAL 63 13.331 7.225 -0.779 502 HG13 VAL 63 HG13 VAL 63 12.694 6.277 -2.125 503 HG21 VAL 63 HG21 VAL 63 11.803 9.913 -2.887 504 HG22 VAL 63 HG22 VAL 63 12.680 8.530 -3.540 505 HG23 VAL 63 HG23 VAL 63 13.292 9.369 -2.113 506 H LEU 64 H LEU 64 8.498 8.092 -0.594 507 HA LEU 64 HA LEU 64 8.476 5.634 0.787 508 HB2 LEU 64 HB3 LEU 64 7.523 8.052 1.412 509 HB3 LEU 64 HB2 LEU 64 6.027 7.419 0.771 510 HG LEU 64 HG LEU 64 6.140 7.281 3.242 511 HD11 LEU 64 HD11 LEU 64 5.466 4.951 3.549 512 HD12 LEU 64 HD12 LEU 64 6.103 4.544 1.956 513 HD13 LEU 64 HD13 LEU 64 4.742 5.657 2.106 514 HD21 LEU 64 HD21 LEU 64 8.566 7.023 3.481 515 HD22 LEU 64 HD22 LEU 64 8.468 5.379 2.844 516 HD23 LEU 64 HD23 LEU 64 7.694 5.781 4.379 517 H LEU 65 H LEU 65 6.349 6.856 -1.803 518 HA LEU 65 HA LEU 65 4.612 4.624 -2.047 519 HB2 LEU 65 HB3 LEU 65 5.482 6.664 -4.131 520 HB3 LEU 65 HB2 LEU 65 4.119 5.567 -4.319 521 HG LEU 65 HG LEU 65 4.320 7.720 -2.172 522 HD11 LEU 65 HD11 LEU 65 2.635 8.964 -3.442 523 HD12 LEU 65 HD12 LEU 65 2.694 7.758 -4.731 524 HD13 LEU 65 HD13 LEU 65 4.114 8.747 -4.380 525 HD21 LEU 65 HD21 LEU 65 2.966 5.817 -1.453 526 HD22 LEU 65 HD22 LEU 65 1.996 5.919 -2.925 527 HD23 LEU 65 HD23 LEU 65 1.952 7.228 -1.743 528 H ASP 66 H ASP 66 7.681 5.428 -3.569 529 HA ASP 66 HA ASP 66 7.958 3.249 -5.342 530 HB2 ASP 66 HB3 ASP 66 9.253 5.364 -5.469 531 HB3 ASP 66 HB2 ASP 66 10.079 4.959 -3.969 532 H ILE 67 H ILE 67 8.766 3.595 -1.896 533 HA ILE 67 HA ILE 67 9.982 1.013 -1.525 534 HB ILE 67 HB ILE 67 8.615 2.847 0.507 535 HG12 ILE 67 HG12 ILE 67 11.611 2.543 -0.013 536 HG13 ILE 67 HG11 ILE 67 10.633 3.823 -0.712 537 HG21 ILE 67 HG21 ILE 67 9.868 1.612 2.260 538 HG22 ILE 67 HG22 ILE 67 10.462 0.486 1.039 539 HG23 ILE 67 HG23 ILE 67 8.737 0.563 1.402 540 HD11 ILE 67 HD11 ILE 67 11.121 3.382 2.232 541 HD12 ILE 67 HD12 ILE 67 10.134 4.669 1.535 542 HD13 ILE 67 HD13 ILE 67 11.868 4.614 1.216 543 H LEU 68 H LEU 68 6.676 2.300 -1.105 544 HA LEU 68 HA LEU 68 5.405 -0.039 -0.155 545 HB2 LEU 68 HB3 LEU 68 4.260 2.355 -1.621 546 HB3 LEU 68 HB2 LEU 68 3.266 1.083 -0.925 547 HG LEU 68 HG LEU 68 5.112 2.920 0.653 548 HD11 LEU 68 HD11 LEU 68 3.197 4.130 -0.263 549 HD12 LEU 68 HD12 LEU 68 3.069 3.977 1.488 550 HD13 LEU 68 HD13 LEU 68 2.089 2.946 0.440 551 HD21 LEU 68 HD21 LEU 68 3.147 0.826 1.653 552 HD22 LEU 68 HD22 LEU 68 4.057 1.955 2.661 553 HD23 LEU 68 HD23 LEU 68 4.909 0.726 1.732 554 H GLN 69 H GLN 69 6.261 0.962 -3.396 555 HA GLN 69 HA GLN 69 4.799 -0.809 -4.991 556 HB2 GLN 69 HB3 GLN 69 6.323 1.051 -5.764 557 HB3 GLN 69 HB2 GLN 69 7.706 0.048 -5.370 558 HG2 GLN 69 HG3 GLN 69 5.644 -0.826 -7.410 559 HG3 GLN 69 HG2 GLN 69 6.962 0.250 -7.847 560 HE21 GLN 69 HE21 GLN 69 9.131 -0.574 -7.740 561 HE22 GLN 69 HE22 GLN 69 9.430 -2.270 -7.838 562 H ARG 70 H ARG 70 7.906 -1.392 -3.285 563 HA ARG 70 HA ARG 70 8.334 -4.043 -4.241 564 HB2 ARG 70 HB3 ARG 70 9.527 -2.435 -1.976 565 HB3 ARG 70 HB2 ARG 70 9.909 -4.144 -2.107 566 HG2 ARG 70 HG3 ARG 70 11.674 -2.873 -3.153 567 HG3 ARG 70 HG2 ARG 70 10.800 -3.762 -4.398 568 HD2 ARG 70 HD3 ARG 70 9.520 -1.636 -4.890 569 HD3 ARG 70 HD2 ARG 70 10.612 -0.799 -3.776 570 HE ARG 70 HE ARG 70 12.027 -2.268 -5.785 571 HH11 ARG 70 HH11 ARG 70 10.419 0.743 -5.236 572 HH12 ARG 70 HH12 ARG 70 11.233 1.521 -6.539 573 HH21 ARG 70 HH21 ARG 70 13.022 -1.242 -7.448 574 HH22 ARG 70 HH22 ARG 70 12.682 0.419 -7.769 575 H THR 71 H THR 71 6.608 -2.833 -1.407 576 HA THR 71 HA THR 71 5.824 -5.573 -0.589 577 HB THR 71 HB THR 71 6.573 -4.062 1.230 578 HG1 THR 71 HG1 THR 71 3.767 -4.513 1.499 579 HG21 THR 71 HG21 THR 71 4.177 -2.332 0.518 580 HG22 THR 71 HG22 THR 71 5.874 -1.885 0.334 581 HG23 THR 71 HG23 THR 71 5.199 -2.136 1.943 582 H GLY 72 H GLY 72 4.903 -4.211 -3.092 583 HA2 GLY 72 HA3 GLY 72 2.841 -2.596 -3.258 584 HA3 GLY 72 HA2 GLY 72 3.008 -3.941 -4.355 585 H HIS 73 H HIS 73 2.166 -6.084 -2.683 586 HA HIS 73 HA HIS 73 -0.633 -5.846 -3.149 587 HB2 HIS 73 HB2 HIS 73 0.759 -7.980 -3.297 588 HB3 HIS 73 HB1 HIS 73 0.703 -8.061 -1.538 589 HD1 HIS 73 HD1 HIS 73 -1.424 -8.990 -0.497 590 HD2 HIS 73 HD2 HIS 73 -1.794 -8.318 -4.580 591 HE1 HIS 73 HE1 HIS 73 -3.608 -10.022 -1.151 592 HE2 HIS 73 HE2 HIS 73 -3.902 -9.404 -3.566 593 H LYS 74 H LYS 74 1.178 -6.249 -0.101 594 HA LYS 74 HA LYS 74 -1.072 -5.752 1.637 595 HB2 LYS 74 HB3 LYS 74 0.861 -7.210 2.245 596 HB3 LYS 74 HB2 LYS 74 1.920 -5.806 2.219 597 HG2 LYS 74 HG3 LYS 74 0.658 -4.837 4.120 598 HG3 LYS 74 HG2 LYS 74 -0.390 -6.255 4.142 599 HD2 LYS 74 HD3 LYS 74 1.353 -6.402 5.889 600 HD3 LYS 74 HD2 LYS 74 1.525 -7.695 4.701 601 HE2 LYS 74 HE3 LYS 74 3.348 -6.403 3.591 602 HE3 LYS 74 HE2 LYS 74 3.185 -5.145 4.819 603 HZ1 LYS 74 HZ1 LYS 74 3.720 -6.873 6.490 604 HZ2 LYS 74 HZ2 LYS 74 4.982 -6.557 5.411 605 HZ3 LYS 74 HZ3 LYS 74 4.042 -7.952 5.230 606 H GLY 75 H GLY 75 1.600 -3.851 0.358 607 HA2 GLY 75 HA3 GLY 75 1.500 -1.559 2.013 608 HA3 GLY 75 HA2 GLY 75 2.251 -1.661 0.430 609 H TYR 76 H TYR 76 0.192 -2.108 -1.252 610 HA TYR 76 HA TYR 76 -1.124 0.279 -1.762 611 HB2 TYR 76 HB2 TYR 76 -0.976 -1.244 -3.556 612 HB3 TYR 76 HB1 TYR 76 -1.580 -2.588 -2.605 613 HD1 TYR 76 HD1 TYR 76 -3.801 -3.294 -2.908 614 HD2 TYR 76 HD2 TYR 76 -2.720 0.655 -4.141 615 HE1 TYR 76 HE1 TYR 76 -6.017 -3.016 -3.922 616 HE2 TYR 76 HE2 TYR 76 -4.942 0.931 -5.158 617 HH TYR 76 HH TYR 76 -6.793 -0.456 -6.021 618 H VAL 77 H VAL 77 -2.518 -2.626 -0.177 619 HA VAL 77 HA VAL 77 -5.111 -1.562 0.256 620 HB VAL 77 HB VAL 77 -3.726 -3.823 1.773 621 HG11 VAL 77 HG11 VAL 77 -6.016 -4.615 2.325 622 HG12 VAL 77 HG12 VAL 77 -6.700 -3.183 1.553 623 HG13 VAL 77 HG13 VAL 77 -5.707 -3.013 3.002 624 HG21 VAL 77 HG21 VAL 77 -4.887 -5.331 0.180 625 HG22 VAL 77 HG22 VAL 77 -3.776 -4.242 -0.650 626 HG23 VAL 77 HG23 VAL 77 -5.511 -3.928 -0.694 627 H ALA 78 H ALA 78 -2.352 -1.938 2.535 628 HA ALA 78 HA ALA 78 -3.545 -0.728 4.795 629 HB1 ALA 78 HB1 ALA 78 -1.257 -0.520 5.688 630 HB2 ALA 78 HB2 ALA 78 -0.593 -0.867 4.089 631 HB3 ALA 78 HB3 ALA 78 -1.512 -2.103 4.949 632 H PHE 79 H PHE 79 -1.786 0.690 2.047 633 HA PHE 79 HA PHE 79 -1.559 3.333 3.139 634 HB2 PHE 79 HB2 PHE 79 -0.113 2.414 1.263 635 HB3 PHE 79 HB1 PHE 79 -1.491 2.582 0.185 636 HD1 PHE 79 HD1 PHE 79 -1.603 4.586 -1.092 637 HD2 PHE 79 HD2 PHE 79 0.492 4.622 2.640 638 HE1 PHE 79 HE1 PHE 79 -0.933 6.929 -1.474 639 HE2 PHE 79 HE2 PHE 79 1.155 6.952 2.238 640 HZ PHE 79 HZ PHE 79 0.450 8.103 0.188 641 H LEU 80 H LEU 80 -3.952 1.746 0.974 642 HA LEU 80 HA LEU 80 -5.651 3.948 0.528 643 HB2 LEU 80 HB3 LEU 80 -6.338 0.999 0.793 644 HB3 LEU 80 HB2 LEU 80 -7.522 2.216 0.340 645 HG LEU 80 HG LEU 80 -5.090 1.352 -1.269 646 HD11 LEU 80 HD11 LEU 80 -6.958 -0.212 -1.370 647 HD12 LEU 80 HD12 LEU 80 -6.770 0.610 -2.916 648 HD13 LEU 80 HD13 LEU 80 -8.066 1.089 -1.817 649 HD21 LEU 80 HD21 LEU 80 -5.339 3.768 -1.546 650 HD22 LEU 80 HD22 LEU 80 -7.057 3.585 -1.907 651 HD23 LEU 80 HD23 LEU 80 -5.846 2.939 -3.017 652 H GLU 81 H GLU 81 -5.805 1.477 3.099 653 HA GLU 81 HA GLU 81 -7.942 2.554 4.599 654 HB2 GLU 81 HB3 GLU 81 -5.606 0.835 5.527 655 HB3 GLU 81 HB2 GLU 81 -7.102 1.087 6.431 656 HG2 GLU 81 HG3 GLU 81 -8.377 -0.002 4.618 657 HG3 GLU 81 HG2 GLU 81 -6.887 -0.247 3.710 658 H SER 82 H SER 82 -4.478 3.234 4.663 659 HA SER 82 HA SER 82 -4.340 4.892 6.956 660 HB2 SER 82 HB3 SER 82 -2.333 3.990 5.786 661 HB3 SER 82 HB2 SER 82 -2.657 5.047 4.414 662 HG SER 82 HG SER 82 -1.113 5.710 6.206 663 H LEU 83 H LEU 83 -4.741 5.735 3.496 664 HA LEU 83 HA LEU 83 -5.018 8.542 3.904 665 HB2 LEU 83 HB3 LEU 83 -5.954 6.958 1.480 666 HB3 LEU 83 HB2 LEU 83 -5.689 8.691 1.556 667 HG LEU 83 HG LEU 83 -3.664 6.462 1.404 668 HD11 LEU 83 HD11 LEU 83 -2.695 7.860 -0.402 669 HD12 LEU 83 HD12 LEU 83 -4.007 9.018 -0.187 670 HD13 LEU 83 HD13 LEU 83 -4.360 7.362 -0.720 671 HD21 LEU 83 HD21 LEU 83 -3.025 9.247 2.421 672 HD22 LEU 83 HD22 LEU 83 -1.834 8.050 1.908 673 HD23 LEU 83 HD23 LEU 83 -2.859 7.724 3.299 674 H GLU 84 H GLU 84 -7.311 5.889 3.912 675 HA GLU 84 HA GLU 84 -9.702 7.383 3.598 676 HB2 GLU 84 HB3 GLU 84 -9.505 4.912 3.312 677 HB3 GLU 84 HB2 GLU 84 -9.296 4.734 5.046 678 HG2 GLU 84 HG3 GLU 84 -11.783 6.083 4.001 679 HG3 GLU 84 HG2 GLU 84 -11.650 4.335 3.870 680 H LEU 85 H LEU 85 -7.830 6.464 6.475 681 HA LEU 85 HA LEU 85 -9.624 7.671 8.388 682 HB2 LEU 85 HB3 LEU 85 -6.752 6.717 8.680 683 HB3 LEU 85 HB2 LEU 85 -7.787 7.197 10.019 684 HG LEU 85 HG LEU 85 -8.298 4.830 8.174 685 HD11 LEU 85 HD11 LEU 85 -7.705 3.412 10.092 686 HD12 LEU 85 HD12 LEU 85 -7.274 4.844 11.029 687 HD13 LEU 85 HD13 LEU 85 -6.352 4.424 9.584 688 HD21 LEU 85 HD21 LEU 85 -9.806 5.696 10.672 689 HD22 LEU 85 HD22 LEU 85 -10.085 4.209 9.762 690 HD23 LEU 85 HD23 LEU 85 -10.403 5.768 9.011 691 H TYR 86 H TYR 86 -6.375 8.536 7.156 692 HA TYR 86 HA TYR 86 -6.246 10.944 8.761 693 HB2 TYR 86 HB2 TYR 86 -4.299 9.617 6.850 694 HB3 TYR 86 HB1 TYR 86 -3.952 11.162 7.617 695 HD1 TYR 86 HD1 TYR 86 -3.374 11.289 9.983 696 HD2 TYR 86 HD2 TYR 86 -4.394 7.522 8.238 697 HE1 TYR 86 HE1 TYR 86 -2.454 10.133 11.942 698 HE2 TYR 86 HE2 TYR 86 -3.470 6.365 10.204 699 HH TYR 86 HH TYR 86 -2.678 7.984 13.093 700 H TYR 87 H TYR 87 -6.689 10.254 5.272 701 HA TYR 87 HA TYR 87 -7.159 13.153 4.768 702 HB2 TYR 87 HB2 TYR 87 -5.603 11.339 2.861 703 HB3 TYR 87 HB1 TYR 87 -5.917 13.053 2.654 704 HD1 TYR 87 HD1 TYR 87 -3.838 10.556 4.389 705 HD2 TYR 87 HD2 TYR 87 -4.623 14.737 3.940 706 HE1 TYR 87 HE1 TYR 87 -1.693 11.080 5.480 707 HE2 TYR 87 HE2 TYR 87 -2.480 15.247 5.028 708 HH TYR 87 HH TYR 87 -0.083 12.882 5.588 709 HA PRO 88 HA PRO 88 -10.429 9.888 3.327 710 HB2 PRO 88 HB3 PRO 88 -12.697 11.331 4.116 711 HB3 PRO 88 HB2 PRO 88 -11.856 10.135 5.112 712 HG2 PRO 88 HG3 PRO 88 -11.560 13.141 5.100 713 HG3 PRO 88 HG2 PRO 88 -11.692 12.035 6.487 714 HD2 PRO 88 HD3 PRO 88 -9.306 12.994 5.753 715 HD3 PRO 88 HD2 PRO 88 -9.458 11.296 6.263 716 H GLN 89 H GLN 89 -10.731 13.438 2.886 717 HA GLN 89 HA GLN 89 -12.414 13.382 0.601 718 HB2 GLN 89 HB3 GLN 89 -12.167 15.393 1.996 719 HB3 GLN 89 HB2 GLN 89 -10.467 15.522 1.557 720 HG2 GLN 89 HG3 GLN 89 -11.095 15.998 -0.775 721 HG3 GLN 89 HG2 GLN 89 -12.802 15.835 -0.361 722 HE21 GLN 89 HE21 GLN 89 -13.787 17.471 0.882 723 HE22 GLN 89 HE22 GLN 89 -13.074 19.029 1.068 724 H LEU 90 H LEU 90 -8.856 13.743 0.879 725 HA LEU 90 HA LEU 90 -8.362 13.875 -1.928 726 HB2 LEU 90 HB3 LEU 90 -6.779 14.734 -0.179 727 HB3 LEU 90 HB2 LEU 90 -6.394 13.076 0.243 728 HG LEU 90 HG LEU 90 -5.491 12.686 -2.042 729 HD11 LEU 90 HD11 LEU 90 -6.876 14.258 -3.306 730 HD12 LEU 90 HD12 LEU 90 -5.168 14.537 -3.613 731 HD13 LEU 90 HD13 LEU 90 -6.056 15.626 -2.546 732 HD21 LEU 90 HD21 LEU 90 -3.954 13.406 -0.276 733 HD22 LEU 90 HD22 LEU 90 -4.244 15.095 -0.692 734 HD23 LEU 90 HD23 LEU 90 -3.452 14.023 -1.849 735 H TYR 91 H TYR 91 -8.339 11.220 0.387 736 HA TYR 91 HA TYR 91 -7.447 9.058 -1.126 737 HB2 TYR 91 HB2 TYR 91 -7.839 8.771 1.221 738 HB3 TYR 91 HB1 TYR 91 -9.500 9.326 1.099 739 HD1 TYR 91 HD1 TYR 91 -11.240 7.713 1.050 740 HD2 TYR 91 HD2 TYR 91 -7.282 6.503 -0.026 741 HE1 TYR 91 HE1 TYR 91 -11.982 5.370 0.943 742 HE2 TYR 91 HE2 TYR 91 -8.034 4.170 -0.126 743 HH TYR 91 HH TYR 91 -9.840 2.772 0.862 744 H LYS 92 H LYS 92 -10.763 10.284 -0.728 745 HA LYS 92 HA LYS 92 -12.053 8.556 -2.580 746 HB2 LYS 92 HB3 LYS 92 -13.099 9.828 -0.655 747 HB3 LYS 92 HB2 LYS 92 -12.951 11.301 -1.594 748 HG2 LYS 92 HG3 LYS 92 -14.511 8.969 -2.712 749 HG3 LYS 92 HG2 LYS 92 -15.240 9.987 -1.471 750 HD2 LYS 92 HD3 LYS 92 -14.918 11.976 -2.935 751 HD3 LYS 92 HD2 LYS 92 -14.212 10.939 -4.177 752 HE2 LYS 92 HE3 LYS 92 -17.055 10.722 -3.126 753 HE3 LYS 92 HE2 LYS 92 -16.580 11.482 -4.646 754 HZ1 LYS 92 HZ1 LYS 92 -15.699 9.349 -5.376 755 HZ2 LYS 92 HZ2 LYS 92 -17.347 9.248 -5.019 756 HZ3 LYS 92 HZ3 LYS 92 -16.210 8.629 -3.935 757 H LYS 93 H LYS 93 -10.471 11.701 -2.918 758 HA LYS 93 HA LYS 93 -11.403 12.400 -5.517 759 HB2 LYS 93 HB3 LYS 93 -10.434 13.994 -3.831 760 HB3 LYS 93 HB2 LYS 93 -8.845 13.305 -4.120 761 HG2 LYS 93 HG3 LYS 93 -9.097 15.426 -5.302 762 HG3 LYS 93 HG2 LYS 93 -8.913 14.100 -6.455 763 HD2 LYS 93 HD3 LYS 93 -11.377 14.088 -6.812 764 HD3 LYS 93 HD2 LYS 93 -11.543 15.429 -5.674 765 HE2 LYS 93 HE3 LYS 93 -11.628 16.209 -8.005 766 HE3 LYS 93 HE2 LYS 93 -10.219 16.868 -7.172 767 HZ1 LYS 93 HZ1 LYS 93 -10.203 14.539 -9.010 768 HZ2 LYS 93 HZ2 LYS 93 -8.852 15.186 -8.232 769 HZ3 LYS 93 HZ3 LYS 93 -9.678 16.098 -9.392 770 H VAL 94 H VAL 94 -8.226 11.033 -4.523 771 HA VAL 94 HA VAL 94 -7.097 11.004 -7.128 772 HB VAL 94 HB VAL 94 -5.228 9.690 -6.130 773 HG11 VAL 94 HG11 VAL 94 -4.456 11.427 -4.556 774 HG12 VAL 94 HG12 VAL 94 -6.095 12.081 -4.463 775 HG13 VAL 94 HG13 VAL 94 -5.206 12.139 -5.987 776 HG21 VAL 94 HG21 VAL 94 -5.207 9.189 -3.696 777 HG22 VAL 94 HG22 VAL 94 -6.463 8.279 -4.534 778 HG23 VAL 94 HG23 VAL 94 -6.895 9.696 -3.578 779 H THR 95 H THR 95 -8.768 8.513 -5.276 780 HA THR 95 HA THR 95 -8.269 6.391 -7.231 781 HB THR 95 HB THR 95 -9.721 5.014 -5.732 782 HG1 THR 95 HG1 THR 95 -9.943 6.658 -3.642 783 HG21 THR 95 HG21 THR 95 -7.307 5.161 -5.181 784 HG22 THR 95 HG22 THR 95 -8.284 5.026 -3.718 785 HG23 THR 95 HG23 THR 95 -7.618 6.590 -4.193 786 H GLY 96 H GLY 96 -10.868 8.578 -6.253 787 HA2 GLY 96 HA3 GLY 96 -12.805 9.236 -7.309 788 HA3 GLY 96 HA2 GLY 96 -12.401 8.199 -8.668 789 H LYS 97 H LYS 97 -12.714 7.078 -5.302 790 HA LYS 97 HA LYS 97 -14.709 5.119 -6.210 791 HB2 LYS 97 HB3 LYS 97 -14.177 3.860 -4.143 792 HB3 LYS 97 HB2 LYS 97 -12.785 4.151 -5.171 793 HG2 LYS 97 HG3 LYS 97 -12.206 6.087 -3.588 794 HG3 LYS 97 HG2 LYS 97 -13.422 5.419 -2.495 795 HD2 LYS 97 HD3 LYS 97 -10.968 3.945 -3.549 796 HD3 LYS 97 HD2 LYS 97 -11.136 4.633 -1.935 797 HE2 LYS 97 HE3 LYS 97 -12.913 2.433 -3.042 798 HE3 LYS 97 HE2 LYS 97 -11.494 2.156 -2.036 799 HZ1 LYS 97 HZ1 LYS 97 -12.535 3.393 -0.256 800 HZ2 LYS 97 HZ2 LYS 97 -13.530 2.120 -0.753 801 HZ3 LYS 97 HZ3 LYS 97 -13.892 3.703 -1.221 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -18.494 2.899 -7.672 2 H2 MET 1 HT2 MET 1 -16.883 3.241 -8.037 3 H3 MET 1 HT3 MET 1 -17.291 1.770 -7.314 4 HA MET 1 HA MET 1 -18.518 1.100 -9.250 5 HB2 MET 1 HB2 MET 1 -17.596 3.783 -10.352 6 HB3 MET 1 HB1 MET 1 -18.292 2.512 -11.347 7 HG2 MET 1 HG2 MET 1 -20.395 2.656 -10.091 8 HG3 MET 1 HG1 MET 1 -19.702 3.912 -9.062 9 HE1 MET 1 HE1 MET 1 -21.892 5.385 -9.656 10 HE2 MET 1 HE2 MET 1 -22.484 4.143 -10.762 11 HE3 MET 1 HE3 MET 1 -22.347 5.815 -11.305 12 H SER 2 H SER 2 -17.213 -0.612 -9.637 13 HA SER 2 HA SER 2 -14.619 -0.310 -10.955 14 HB2 SER 2 HB3 SER 2 -14.816 -1.670 -8.222 15 HB3 SER 2 HB2 SER 2 -13.379 -1.635 -9.246 16 HG SER 2 HG SER 2 -14.642 0.527 -7.916 17 H ASP 3 H ASP 3 -14.017 -2.129 -12.147 18 HA ASP 3 HA ASP 3 -15.760 -4.436 -12.365 19 HB2 ASP 3 HB3 ASP 3 -12.989 -3.925 -13.556 20 HB3 ASP 3 HB2 ASP 3 -14.058 -5.255 -14.005 21 H TYR 4 H TYR 4 -12.440 -3.843 -11.247 22 HA TYR 4 HA TYR 4 -12.663 -5.779 -9.094 23 HB2 TYR 4 HB2 TYR 4 -10.605 -7.028 -9.683 24 HB3 TYR 4 HB1 TYR 4 -11.831 -7.224 -10.921 25 HD1 TYR 4 HD1 TYR 4 -8.381 -6.527 -10.371 26 HD2 TYR 4 HD2 TYR 4 -11.600 -5.577 -13.022 27 HE1 TYR 4 HE1 TYR 4 -6.762 -5.920 -12.123 28 HE2 TYR 4 HE2 TYR 4 -9.975 -4.967 -14.767 29 HH TYR 4 HH TYR 4 -6.689 -5.767 -14.590 30 H GLU 5 H GLU 5 -10.315 -5.763 -7.915 31 HA GLU 5 HA GLU 5 -8.989 -3.175 -8.032 32 HB2 GLU 5 HB3 GLU 5 -9.363 -2.698 -5.571 33 HB3 GLU 5 HB2 GLU 5 -10.796 -2.532 -6.579 34 HG2 GLU 5 HG3 GLU 5 -11.527 -4.806 -5.830 35 HG3 GLU 5 HG2 GLU 5 -10.142 -4.853 -4.745 36 H ASN 6 H ASN 6 -7.147 -4.247 -8.567 37 HA ASN 6 HA ASN 6 -5.791 -5.830 -6.438 38 HB2 ASN 6 HB3 ASN 6 -5.697 -6.245 -9.457 39 HB3 ASN 6 HB2 ASN 6 -4.540 -6.984 -8.352 40 HD21 ASN 6 HD21 ASN 6 -5.256 -8.616 -6.941 41 HD22 ASN 6 HD22 ASN 6 -6.747 -9.446 -7.195 42 H ASP 7 H ASP 7 -3.612 -5.344 -6.053 43 HA ASP 7 HA ASP 7 -2.919 -2.662 -6.152 44 HB2 ASP 7 HB3 ASP 7 -0.620 -3.422 -5.383 45 HB3 ASP 7 HB2 ASP 7 -1.979 -4.011 -4.431 46 H ASP 8 H ASP 8 -2.009 -5.151 -8.489 47 HA ASP 8 HA ASP 8 0.038 -3.840 -9.922 48 HB2 ASP 8 HB3 ASP 8 -2.079 -5.668 -11.153 49 HB3 ASP 8 HB2 ASP 8 -0.421 -5.420 -11.704 50 H GLU 9 H GLU 9 -3.436 -4.001 -10.586 51 HA GLU 9 HA GLU 9 -3.664 -2.044 -12.622 52 HB2 GLU 9 HB3 GLU 9 -5.413 -3.686 -12.341 53 HB3 GLU 9 HB2 GLU 9 -5.607 -3.282 -10.641 54 HG2 GLU 9 HG3 GLU 9 -6.394 -0.940 -11.541 55 HG3 GLU 9 HG2 GLU 9 -6.602 -1.797 -13.070 56 H CYS 10 H CYS 10 -3.974 -1.867 -9.100 57 HA CYS 10 HA CYS 10 -5.311 0.648 -9.039 58 HB2 CYS 10 HB3 CYS 10 -4.123 -1.052 -6.837 59 HB3 CYS 10 HB2 CYS 10 -5.019 0.436 -6.544 60 HG CYS 10 HG CYS 10 -7.178 -0.926 -6.210 61 H TRP 11 H TRP 11 -1.915 -0.314 -8.332 62 HA TRP 11 HA TRP 11 -1.059 2.337 -7.669 63 HB2 TRP 11 HB2 TRP 11 0.497 -0.169 -8.401 64 HB3 TRP 11 HB1 TRP 11 1.313 1.368 -8.158 65 HD1 TRP 11 HD1 TRP 11 0.045 -1.591 -6.236 66 HE1 TRP 11 HE1 TRP 11 0.354 -1.205 -3.718 67 HE3 TRP 11 HE3 TRP 11 1.131 3.432 -6.281 68 HZ2 TRP 11 HZ2 TRP 11 0.964 0.916 -1.970 69 HZ3 TRP 11 HZ3 TRP 11 1.557 4.561 -4.129 70 HH2 TRP 11 HH2 TRP 11 1.473 3.326 -2.017 71 H SER 12 H SER 12 -1.691 0.810 -10.739 72 HA SER 12 HA SER 12 -0.227 2.608 -12.437 73 HB2 SER 12 HB3 SER 12 -2.811 1.114 -13.091 74 HB3 SER 12 HB2 SER 12 -1.692 1.825 -14.262 75 HG SER 12 HG SER 12 -0.091 0.350 -13.349 76 H VAL 13 H VAL 13 -3.645 2.558 -11.335 77 HA VAL 13 HA VAL 13 -4.470 5.133 -12.141 78 HB VAL 13 HB VAL 13 -5.291 3.451 -9.720 79 HG11 VAL 13 HG11 VAL 13 -6.594 6.052 -10.642 80 HG12 VAL 13 HG12 VAL 13 -5.770 5.772 -9.098 81 HG13 VAL 13 HG13 VAL 13 -7.287 4.938 -9.455 82 HG21 VAL 13 HG21 VAL 13 -7.339 2.967 -11.037 83 HG22 VAL 13 HG22 VAL 13 -5.880 2.463 -11.889 84 HG23 VAL 13 HG23 VAL 13 -6.709 3.943 -12.370 85 H LEU 14 H LEU 14 -2.976 4.021 -9.146 86 HA LEU 14 HA LEU 14 -3.211 6.512 -7.802 87 HB2 LEU 14 HB3 LEU 14 -1.835 3.916 -7.074 88 HB3 LEU 14 HB2 LEU 14 -1.696 5.346 -6.068 89 HG LEU 14 HG LEU 14 -4.142 3.624 -6.570 90 HD11 LEU 14 HD11 LEU 14 -2.687 3.070 -4.657 91 HD12 LEU 14 HD12 LEU 14 -4.289 3.580 -4.132 92 HD13 LEU 14 HD13 LEU 14 -2.926 4.695 -3.993 93 HD21 LEU 14 HD21 LEU 14 -4.228 6.487 -5.530 94 HD22 LEU 14 HD22 LEU 14 -5.556 5.325 -5.431 95 HD23 LEU 14 HD23 LEU 14 -4.981 5.862 -7.003 96 H GLU 15 H GLU 15 -0.522 5.131 -9.728 97 HA GLU 15 HA GLU 15 1.551 6.804 -8.812 98 HB2 GLU 15 HB3 GLU 15 1.843 4.981 -10.496 99 HB3 GLU 15 HB2 GLU 15 0.988 5.932 -11.699 100 HG2 GLU 15 HG3 GLU 15 3.396 5.993 -12.080 101 HG3 GLU 15 HG2 GLU 15 2.786 7.601 -11.695 102 H GLY 16 H GLY 16 -1.182 7.586 -10.877 103 HA2 GLY 16 HA3 GLY 16 -0.552 10.152 -11.800 104 HA3 GLY 16 HA2 GLY 16 -2.166 9.532 -11.537 105 H PHE 17 H PHE 17 -1.269 9.251 -8.495 106 HA PHE 17 HA PHE 17 -2.121 11.914 -7.705 107 HB2 PHE 17 HB2 PHE 17 -2.391 11.046 -5.438 108 HB3 PHE 17 HB1 PHE 17 -3.204 10.048 -6.580 109 HD1 PHE 17 HD1 PHE 17 0.470 9.469 -6.083 110 HD2 PHE 17 HD2 PHE 17 -3.484 8.370 -4.825 111 HE1 PHE 17 HE1 PHE 17 1.377 7.487 -4.956 112 HE2 PHE 17 HE2 PHE 17 -2.534 6.406 -3.676 113 HZ PHE 17 HZ PHE 17 -0.120 5.948 -3.758 114 H ARG 18 H ARG 18 0.873 10.492 -8.222 115 HA ARG 18 HA ARG 18 2.581 10.970 -6.215 116 HB2 ARG 18 HB3 ARG 18 3.302 10.137 -8.406 117 HB3 ARG 18 HB2 ARG 18 3.079 11.733 -9.116 118 HG2 ARG 18 HG3 ARG 18 5.403 11.581 -8.787 119 HG3 ARG 18 HG2 ARG 18 4.862 12.577 -7.458 120 HD2 ARG 18 HD3 ARG 18 6.522 10.947 -6.699 121 HD3 ARG 18 HD2 ARG 18 4.959 10.626 -5.946 122 HE ARG 18 HE ARG 18 4.694 8.873 -7.767 123 HH11 ARG 18 HH11 ARG 18 7.873 9.718 -6.692 124 HH12 ARG 18 HH12 ARG 18 8.486 8.130 -6.958 125 HH21 ARG 18 HH21 ARG 18 5.528 6.901 -8.154 126 HH22 ARG 18 HH22 ARG 18 7.180 6.558 -7.772 127 H VAL 19 H VAL 19 2.004 13.677 -8.576 128 HA VAL 19 HA VAL 19 3.466 15.557 -7.020 129 HB VAL 19 HB VAL 19 3.165 15.723 -9.514 130 HG11 VAL 19 HG11 VAL 19 1.172 16.832 -10.458 131 HG12 VAL 19 HG12 VAL 19 0.393 16.778 -8.876 132 HG13 VAL 19 HG13 VAL 19 0.772 15.278 -9.723 133 HG21 VAL 19 HG21 VAL 19 4.065 17.631 -8.264 134 HG22 VAL 19 HG22 VAL 19 2.434 18.238 -7.970 135 HG23 VAL 19 HG23 VAL 19 3.075 18.195 -9.614 136 H THR 20 H THR 20 0.075 14.641 -6.955 137 HA THR 20 HA THR 20 -0.930 16.810 -5.381 138 HB THR 20 HB THR 20 -1.966 13.974 -5.790 139 HG1 THR 20 HG1 THR 20 -2.822 16.521 -6.762 140 HG21 THR 20 HG21 THR 20 -4.118 14.722 -4.784 141 HG22 THR 20 HG22 THR 20 -3.346 16.227 -4.281 142 HG23 THR 20 HG23 THR 20 -2.807 14.690 -3.602 143 H LEU 21 H LEU 21 -0.189 13.411 -4.323 144 HA LEU 21 HA LEU 21 -0.355 13.848 -1.574 145 HB2 LEU 21 HB3 LEU 21 1.593 11.893 -2.821 146 HB3 LEU 21 HB2 LEU 21 0.904 11.838 -1.206 147 HG LEU 21 HG LEU 21 -0.390 11.162 -3.840 148 HD11 LEU 21 HD11 LEU 21 0.822 9.407 -2.785 149 HD12 LEU 21 HD12 LEU 21 -0.900 9.066 -2.677 150 HD13 LEU 21 HD13 LEU 21 -0.033 9.653 -1.249 151 HD21 LEU 21 HD21 LEU 21 -2.563 10.851 -2.709 152 HD22 LEU 21 HD22 LEU 21 -2.079 12.545 -2.773 153 HD23 LEU 21 HD23 LEU 21 -1.921 11.644 -1.270 154 H THR 22 H THR 22 2.639 13.979 -3.593 155 HA THR 22 HA THR 22 4.491 14.591 -1.580 156 HB THR 22 HB THR 22 5.883 15.608 -3.385 157 HG1 THR 22 HG1 THR 22 3.461 15.383 -4.857 158 HG21 THR 22 HG21 THR 22 5.890 13.149 -3.144 159 HG22 THR 22 HG22 THR 22 6.053 13.611 -4.837 160 HG23 THR 22 HG23 THR 22 4.503 13.028 -4.233 161 H SER 23 H SER 23 2.032 16.654 -2.939 162 HA SER 23 HA SER 23 3.149 19.126 -1.760 163 HB2 SER 23 HB3 SER 23 2.403 19.256 -4.109 164 HB3 SER 23 HB2 SER 23 0.790 18.723 -3.648 165 HG SER 23 HG SER 23 2.081 21.147 -2.909 166 H VAL 24 H VAL 24 0.612 16.764 -1.206 167 HA VAL 24 HA VAL 24 -0.690 18.531 0.808 168 HB VAL 24 HB VAL 24 -1.817 15.978 -0.440 169 HG11 VAL 24 HG11 VAL 24 -2.717 16.351 1.819 170 HG12 VAL 24 HG12 VAL 24 -3.971 16.646 0.615 171 HG13 VAL 24 HG13 VAL 24 -3.163 18.007 1.399 172 HG21 VAL 24 HG21 VAL 24 -2.549 18.882 -1.030 173 HG22 VAL 24 HG22 VAL 24 -3.353 17.459 -1.702 174 HG23 VAL 24 HG23 VAL 24 -1.670 17.795 -2.109 175 H ILE 25 H ILE 25 0.032 15.010 0.457 176 HA ILE 25 HA ILE 25 -0.321 14.531 3.270 177 HB ILE 25 HB ILE 25 0.670 12.658 1.077 178 HG12 ILE 25 HG12 ILE 25 -2.086 13.120 2.294 179 HG13 ILE 25 HG11 ILE 25 -1.604 13.360 0.618 180 HG21 ILE 25 HG21 ILE 25 0.188 10.785 2.626 181 HG22 ILE 25 HG22 ILE 25 -0.203 11.936 3.905 182 HG23 ILE 25 HG23 ILE 25 1.441 11.842 3.276 183 HD11 ILE 25 HD11 ILE 25 -1.895 10.734 2.064 184 HD12 ILE 25 HD12 ILE 25 -1.301 10.909 0.411 185 HD13 ILE 25 HD13 ILE 25 -2.947 11.395 0.816 186 H ASP 26 H ASP 26 1.176 14.899 4.808 187 HA ASP 26 HA ASP 26 4.029 14.614 4.409 188 HB2 ASP 26 HB3 ASP 26 2.227 15.115 6.797 189 HB3 ASP 26 HB2 ASP 26 3.838 14.491 7.115 190 HA PRO 27 HA PRO 27 4.085 10.103 4.983 191 HB2 PRO 27 HB3 PRO 27 6.764 9.797 5.539 192 HB3 PRO 27 HB2 PRO 27 6.145 10.076 3.908 193 HG2 PRO 27 HG3 PRO 27 7.360 12.045 5.840 194 HG3 PRO 27 HG2 PRO 27 7.635 11.878 4.091 195 HD2 PRO 27 HD3 PRO 27 5.981 13.772 5.152 196 HD3 PRO 27 HD2 PRO 27 5.702 13.051 3.557 197 H SER 28 H SER 28 5.410 12.395 7.286 198 HA SER 28 HA SER 28 5.675 10.843 9.615 199 HB2 SER 28 HB3 SER 28 5.647 13.060 10.795 200 HB3 SER 28 HB2 SER 28 6.716 13.051 9.392 201 HG SER 28 HG SER 28 5.099 14.870 9.734 202 H ARG 29 H ARG 29 2.829 12.103 8.084 203 HA ARG 29 HA ARG 29 1.076 12.347 10.300 204 HB2 ARG 29 HB3 ARG 29 0.650 13.405 8.119 205 HB3 ARG 29 HB2 ARG 29 0.480 11.832 7.354 206 HG2 ARG 29 HG3 ARG 29 -1.698 12.902 7.707 207 HG3 ARG 29 HG2 ARG 29 -1.574 11.404 8.630 208 HD2 ARG 29 HD3 ARG 29 -2.657 13.204 9.924 209 HD3 ARG 29 HD2 ARG 29 -1.157 12.665 10.682 210 HE ARG 29 HE ARG 29 -0.825 14.966 8.972 211 HH11 ARG 29 HH11 ARG 29 -1.701 14.007 12.189 212 HH12 ARG 29 HH12 ARG 29 -1.254 15.535 12.858 213 HH21 ARG 29 HH21 ARG 29 -0.268 16.897 9.890 214 HH22 ARG 29 HH22 ARG 29 -0.450 17.128 11.593 215 H ILE 30 H ILE 30 1.912 9.565 8.260 216 HA ILE 30 HA ILE 30 -0.010 7.843 9.739 217 HB ILE 30 HB ILE 30 -0.080 6.377 7.702 218 HG12 ILE 30 HG12 ILE 30 1.425 8.681 6.341 219 HG13 ILE 30 HG11 ILE 30 2.098 7.091 6.680 220 HG21 ILE 30 HG21 ILE 30 -1.597 7.822 6.389 221 HG22 ILE 30 HG22 ILE 30 -0.990 9.247 7.234 222 HG23 ILE 30 HG23 ILE 30 -1.877 8.006 8.122 223 HD11 ILE 30 HD11 ILE 30 1.483 7.297 4.353 224 HD12 ILE 30 HD12 ILE 30 -0.177 7.688 4.796 225 HD13 ILE 30 HD13 ILE 30 0.476 6.085 5.144 226 H THR 31 H THR 31 3.051 8.465 10.097 227 HA THR 31 HA THR 31 4.597 6.241 9.456 228 HB THR 31 HB THR 31 6.081 6.976 11.492 229 HG1 THR 31 HG1 THR 31 5.462 8.645 12.609 230 HG21 THR 31 HG21 THR 31 6.967 8.900 10.255 231 HG22 THR 31 HG22 THR 31 5.498 8.960 9.278 232 HG23 THR 31 HG23 THR 31 6.584 7.577 9.154 233 HA PRO 32 HA PRO 32 3.840 4.058 13.714 234 HB2 PRO 32 HB3 PRO 32 1.700 4.703 15.294 235 HB3 PRO 32 HB2 PRO 32 3.276 5.491 15.439 236 HG2 PRO 32 HG3 PRO 32 0.789 6.472 14.063 237 HG3 PRO 32 HG2 PRO 32 1.955 7.369 15.055 238 HD2 PRO 32 HD3 PRO 32 1.948 7.422 12.305 239 HD3 PRO 32 HD2 PRO 32 3.395 7.709 13.290 240 H TYR 33 H TYR 33 1.106 4.996 11.694 241 HA TYR 33 HA TYR 33 -0.348 2.537 12.000 242 HB2 TYR 33 HB2 TYR 33 -1.322 4.786 11.175 243 HB3 TYR 33 HB1 TYR 33 -0.610 4.398 9.610 244 HD1 TYR 33 HD1 TYR 33 -1.837 2.976 8.090 245 HD2 TYR 33 HD2 TYR 33 -2.903 3.035 12.229 246 HE1 TYR 33 HE1 TYR 33 -3.773 1.525 7.620 247 HE2 TYR 33 HE2 TYR 33 -4.839 1.605 11.753 248 HH TYR 33 HH TYR 33 -6.281 1.024 9.849 249 H LEU 34 H LEU 34 2.080 3.761 9.711 250 HA LEU 34 HA LEU 34 2.141 1.463 8.006 251 HB2 LEU 34 HB3 LEU 34 4.279 3.573 8.495 252 HB3 LEU 34 HB2 LEU 34 4.326 2.378 7.204 253 HG LEU 34 HG LEU 34 2.297 4.636 7.489 254 HD11 LEU 34 HD11 LEU 34 3.322 5.563 5.460 255 HD12 LEU 34 HD12 LEU 34 4.516 4.262 5.457 256 HD13 LEU 34 HD13 LEU 34 4.487 5.432 6.776 257 HD21 LEU 34 HD21 LEU 34 1.203 2.661 6.517 258 HD22 LEU 34 HD22 LEU 34 2.465 2.541 5.290 259 HD23 LEU 34 HD23 LEU 34 1.380 3.935 5.312 260 H ARG 35 H ARG 35 3.877 2.341 11.004 261 HA ARG 35 HA ARG 35 5.477 0.040 11.295 262 HB2 ARG 35 HB3 ARG 35 3.967 1.524 13.505 263 HB3 ARG 35 HB2 ARG 35 5.237 0.341 13.791 264 HG2 ARG 35 HG3 ARG 35 5.561 3.041 12.469 265 HG3 ARG 35 HG2 ARG 35 6.040 2.609 14.109 266 HD2 ARG 35 HD3 ARG 35 8.070 2.468 12.986 267 HD3 ARG 35 HD2 ARG 35 7.527 0.798 12.902 268 HE ARG 35 HE ARG 35 7.502 0.989 10.631 269 HH11 ARG 35 HH11 ARG 35 7.128 4.213 11.886 270 HH12 ARG 35 HH12 ARG 35 7.327 4.932 10.326 271 HH21 ARG 35 HH21 ARG 35 7.757 2.000 8.671 272 HH22 ARG 35 HH22 ARG 35 7.677 3.729 8.576 273 H GLN 36 H GLN 36 2.130 0.559 12.541 274 HA GLN 36 HA GLN 36 1.707 -2.002 13.623 275 HB2 GLN 36 HB3 GLN 36 -0.252 0.116 12.664 276 HB3 GLN 36 HB2 GLN 36 -0.793 -1.379 13.423 277 HG2 GLN 36 HG3 GLN 36 1.039 0.666 14.719 278 HG3 GLN 36 HG2 GLN 36 -0.695 0.528 15.003 279 HE21 GLN 36 HE21 GLN 36 -1.479 -1.257 16.204 280 HE22 GLN 36 HE22 GLN 36 -0.434 -2.228 17.179 281 H CYS 37 H CYS 37 1.139 -0.844 10.333 282 HA CYS 37 HA CYS 37 -0.083 -3.294 9.406 283 HB2 CYS 37 HB3 CYS 37 0.998 -0.897 7.891 284 HB3 CYS 37 HB2 CYS 37 0.129 -2.236 7.142 285 HG CYS 37 HG CYS 37 -2.295 -1.577 7.901 286 H LYS 38 H LYS 38 3.129 -2.352 10.020 287 HA LYS 38 HA LYS 38 5.187 -3.227 9.689 288 HB2 LYS 38 HB3 LYS 38 3.602 -5.729 8.989 289 HB3 LYS 38 HB2 LYS 38 5.340 -5.712 9.264 290 HG2 LYS 38 HG3 LYS 38 3.223 -4.976 11.319 291 HG3 LYS 38 HG2 LYS 38 4.065 -6.526 11.225 292 HD2 LYS 38 HD3 LYS 38 5.354 -3.819 11.795 293 HD3 LYS 38 HD2 LYS 38 5.019 -5.079 12.983 294 HE2 LYS 38 HE3 LYS 38 6.982 -5.271 10.667 295 HE3 LYS 38 HE2 LYS 38 7.386 -5.113 12.377 296 HZ1 LYS 38 HZ1 LYS 38 6.030 -7.423 11.095 297 HZ2 LYS 38 HZ2 LYS 38 6.305 -7.267 12.755 298 HZ3 LYS 38 HZ3 LYS 38 7.614 -7.383 11.691 299 H VAL 39 H VAL 39 3.831 -1.920 7.403 300 HA VAL 39 HA VAL 39 4.764 -3.345 5.010 301 HB VAL 39 HB VAL 39 3.538 -1.649 3.707 302 HG11 VAL 39 HG11 VAL 39 1.866 -2.777 5.984 303 HG12 VAL 39 HG12 VAL 39 2.341 -3.646 4.525 304 HG13 VAL 39 HG13 VAL 39 1.261 -2.259 4.407 305 HG21 VAL 39 HG21 VAL 39 2.836 -0.366 6.389 306 HG22 VAL 39 HG22 VAL 39 2.185 0.112 4.818 307 HG23 VAL 39 HG23 VAL 39 3.902 0.325 5.160 308 H LEU 40 H LEU 40 5.752 -0.715 7.028 309 HA LEU 40 HA LEU 40 7.866 0.048 5.084 310 HB2 LEU 40 HB3 LEU 40 6.057 1.801 5.439 311 HB3 LEU 40 HB2 LEU 40 6.569 1.900 7.122 312 HG LEU 40 HG LEU 40 8.865 2.593 6.327 313 HD11 LEU 40 HD11 LEU 40 9.170 3.347 4.005 314 HD12 LEU 40 HD12 LEU 40 7.570 2.732 3.583 315 HD13 LEU 40 HD13 LEU 40 8.844 1.618 4.086 316 HD21 LEU 40 HD21 LEU 40 8.254 4.899 5.782 317 HD22 LEU 40 HD22 LEU 40 7.224 4.263 7.065 318 HD23 LEU 40 HD23 LEU 40 6.599 4.396 5.417 319 H ASN 41 H ASN 41 9.847 -0.367 5.803 320 HA ASN 41 HA ASN 41 10.258 -1.418 8.474 321 HB2 ASN 41 HB3 ASN 41 12.335 -1.062 6.270 322 HB3 ASN 41 HB2 ASN 41 12.421 -2.150 7.657 323 HD21 ASN 41 HD21 ASN 41 11.122 -1.649 4.484 324 HD22 ASN 41 HD22 ASN 41 10.437 -3.225 4.282 325 HA PRO 42 HA PRO 42 12.004 2.205 10.548 326 HB2 PRO 42 HB3 PRO 42 14.167 0.931 11.858 327 HB3 PRO 42 HB2 PRO 42 12.519 1.071 12.479 328 HG2 PRO 42 HG3 PRO 42 13.802 -1.212 10.986 329 HG3 PRO 42 HG2 PRO 42 12.719 -1.262 12.397 330 HD2 PRO 42 HD3 PRO 42 11.767 -1.824 9.980 331 HD3 PRO 42 HD2 PRO 42 10.802 -0.819 11.088 332 H ASP 43 H ASP 43 14.132 0.143 8.575 333 HA ASP 43 HA ASP 43 16.337 1.899 8.272 334 HB2 ASP 43 HB3 ASP 43 15.262 -0.174 6.311 335 HB3 ASP 43 HB2 ASP 43 16.879 0.530 6.269 336 H ASP 44 H ASP 44 13.533 1.346 6.138 337 HA ASP 44 HA ASP 44 13.972 3.461 4.294 338 HB2 ASP 44 HB3 ASP 44 11.341 2.112 5.068 339 HB3 ASP 44 HB2 ASP 44 11.631 3.043 3.597 340 H GLU 45 H GLU 45 12.383 3.298 7.415 341 HA GLU 45 HA GLU 45 11.005 5.809 7.238 342 HB2 GLU 45 HB3 GLU 45 10.262 3.897 8.698 343 HB3 GLU 45 HB2 GLU 45 11.626 4.221 9.760 344 HG2 GLU 45 HG3 GLU 45 9.566 5.202 10.649 345 HG3 GLU 45 HG2 GLU 45 10.745 6.456 10.262 346 H GLU 46 H GLU 46 14.116 4.827 8.768 347 HA GLU 46 HA GLU 46 14.845 7.286 9.938 348 HB2 GLU 46 HB3 GLU 46 16.568 5.064 8.763 349 HB3 GLU 46 HB2 GLU 46 17.270 6.480 9.539 350 HG2 GLU 46 HG3 GLU 46 15.425 4.483 10.883 351 HG3 GLU 46 HG2 GLU 46 17.180 4.513 11.026 352 H GLN 47 H GLN 47 15.418 6.011 6.682 353 HA GLN 47 HA GLN 47 16.772 8.027 5.389 354 HB2 GLN 47 HB3 GLN 47 16.304 5.941 4.280 355 HB3 GLN 47 HB2 GLN 47 14.568 6.175 4.418 356 HG2 GLN 47 HG3 GLN 47 14.698 8.036 2.779 357 HG3 GLN 47 HG2 GLN 47 16.437 7.761 2.636 358 HE21 GLN 47 HE21 GLN 47 13.263 6.363 2.015 359 HE22 GLN 47 HE22 GLN 47 13.790 5.237 0.818 360 H VAL 48 H VAL 48 13.251 7.840 5.917 361 HA VAL 48 HA VAL 48 12.594 10.301 4.585 362 HB VAL 48 HB VAL 48 10.976 8.529 6.472 363 HG11 VAL 48 HG11 VAL 48 9.999 10.880 4.804 364 HG12 VAL 48 HG12 VAL 48 10.054 10.795 6.567 365 HG13 VAL 48 HG13 VAL 48 8.962 9.742 5.670 366 HG21 VAL 48 HG21 VAL 48 9.839 7.761 4.399 367 HG22 VAL 48 HG22 VAL 48 11.570 7.431 4.340 368 HG23 VAL 48 HG23 VAL 48 10.902 8.788 3.431 369 H LEU 49 H LEU 49 12.570 9.389 8.041 370 HA LEU 49 HA LEU 49 11.931 11.948 9.077 371 HB2 LEU 49 HB3 LEU 49 13.062 9.497 10.456 372 HB3 LEU 49 HB2 LEU 49 12.493 10.928 11.307 373 HG LEU 49 HG LEU 49 10.780 9.062 9.617 374 HD11 LEU 49 HD11 LEU 49 10.865 9.433 12.625 375 HD12 LEU 49 HD12 LEU 49 11.464 8.038 11.723 376 HD13 LEU 49 HD13 LEU 49 9.740 8.400 11.735 377 HD21 LEU 49 HD21 LEU 49 8.840 10.351 10.412 378 HD22 LEU 49 HD22 LEU 49 9.927 11.364 9.466 379 HD23 LEU 49 HD23 LEU 49 9.913 11.494 11.228 380 H SER 50 H SER 50 14.966 10.756 7.977 381 HA SER 50 HA SER 50 16.765 12.102 9.686 382 HB2 SER 50 HB3 SER 50 17.442 10.380 8.022 383 HB3 SER 50 HB2 SER 50 17.123 11.518 6.716 384 HG SER 50 HG SER 50 18.876 12.272 8.776 385 H ASP 51 H ASP 51 14.578 13.492 7.392 386 HA ASP 51 HA ASP 51 15.850 16.064 7.159 387 HB2 ASP 51 HB3 ASP 51 12.955 15.192 6.818 388 HB3 ASP 51 HB2 ASP 51 13.491 16.849 6.562 389 HA PRO 52 HA PRO 52 14.732 17.167 11.485 390 HB2 PRO 52 HB3 PRO 52 16.295 19.355 11.737 391 HB3 PRO 52 HB2 PRO 52 17.004 17.736 11.647 392 HG2 PRO 52 HG3 PRO 52 16.715 19.804 9.466 393 HG3 PRO 52 HG2 PRO 52 18.131 18.817 9.883 394 HD2 PRO 52 HD3 PRO 52 16.384 18.184 7.844 395 HD3 PRO 52 HD2 PRO 52 17.342 16.974 8.723 396 H ASN 53 H ASN 53 13.579 18.455 8.723 397 HA ASN 53 HA ASN 53 11.820 20.418 10.009 398 HB2 ASN 53 HB3 ASN 53 13.817 21.670 9.122 399 HB3 ASN 53 HB2 ASN 53 13.472 21.047 7.514 400 HD21 ASN 53 HD21 ASN 53 12.404 23.241 10.026 401 HD22 ASN 53 HD22 ASN 53 11.348 24.171 9.027 402 H LEU 54 H LEU 54 12.257 17.806 7.908 403 HA LEU 54 HA LEU 54 11.238 16.828 6.141 404 HB2 LEU 54 HB3 LEU 54 8.796 18.108 7.420 405 HB3 LEU 54 HB2 LEU 54 8.684 16.990 6.075 406 HG LEU 54 HG LEU 54 8.180 15.753 8.066 407 HD11 LEU 54 HD11 LEU 54 9.858 13.981 8.090 408 HD12 LEU 54 HD12 LEU 54 11.007 15.030 7.258 409 HD13 LEU 54 HD13 LEU 54 9.524 14.521 6.445 410 HD21 LEU 54 HD21 LEU 54 10.765 16.743 9.300 411 HD22 LEU 54 HD22 LEU 54 9.651 15.580 10.026 412 HD23 LEU 54 HD23 LEU 54 9.133 17.241 9.751 413 H VAL 55 H VAL 55 12.457 19.323 5.636 414 HA VAL 55 HA VAL 55 10.960 20.992 3.892 415 HB VAL 55 HB VAL 55 12.912 21.855 5.075 416 HG11 VAL 55 HG11 VAL 55 14.625 19.934 3.455 417 HG12 VAL 55 HG12 VAL 55 14.293 19.836 5.184 418 HG13 VAL 55 HG13 VAL 55 15.234 21.184 4.545 419 HG21 VAL 55 HG21 VAL 55 12.346 22.977 2.944 420 HG22 VAL 55 HG22 VAL 55 13.446 21.909 2.071 421 HG23 VAL 55 HG23 VAL 55 14.083 23.056 3.252 422 H ILE 56 H ILE 56 12.755 18.036 3.377 423 HA ILE 56 HA ILE 56 12.532 18.204 0.439 424 HB ILE 56 HB ILE 56 13.873 15.971 2.037 425 HG12 ILE 56 HG12 ILE 56 15.210 18.531 1.023 426 HG13 ILE 56 HG11 ILE 56 14.916 18.137 2.713 427 HG21 ILE 56 HG21 ILE 56 13.480 15.453 -0.332 428 HG22 ILE 56 HG22 ILE 56 15.205 15.617 -0.026 429 HG23 ILE 56 HG23 ILE 56 14.321 16.924 -0.820 430 HD11 ILE 56 HD11 ILE 56 16.750 16.643 0.838 431 HD12 ILE 56 HD12 ILE 56 16.455 16.238 2.533 432 HD13 ILE 56 HD13 ILE 56 17.229 17.764 2.110 433 H ARG 57 H ARG 57 10.231 17.811 2.365 434 HA ARG 57 HA ARG 57 9.047 15.381 2.628 435 HB2 ARG 57 HB3 ARG 57 7.930 17.358 3.444 436 HB3 ARG 57 HB2 ARG 57 7.786 18.026 1.826 437 HG2 ARG 57 HG3 ARG 57 6.217 16.046 1.300 438 HG3 ARG 57 HG2 ARG 57 6.215 15.726 3.038 439 HD2 ARG 57 HD3 ARG 57 5.347 18.338 1.725 440 HD3 ARG 57 HD2 ARG 57 4.258 17.070 2.305 441 HE ARG 57 HE ARG 57 5.183 17.484 4.551 442 HH11 ARG 57 HH11 ARG 57 5.526 20.077 2.285 443 HH12 ARG 57 HH12 ARG 57 5.469 21.276 3.527 444 HH21 ARG 57 HH21 ARG 57 5.083 19.015 6.079 445 HH22 ARG 57 HH22 ARG 57 5.234 20.685 5.651 446 H LYS 58 H LYS 58 8.772 17.389 -0.323 447 HA LYS 58 HA LYS 58 7.051 15.739 -1.777 448 HB2 LYS 58 HB3 LYS 58 7.816 17.022 -3.783 449 HB3 LYS 58 HB2 LYS 58 7.364 18.029 -2.413 450 HG2 LYS 58 HG3 LYS 58 9.767 18.336 -1.851 451 HG3 LYS 58 HG2 LYS 58 10.206 17.372 -3.266 452 HD2 LYS 58 HD3 LYS 58 8.664 20.001 -3.322 453 HD3 LYS 58 HD2 LYS 58 10.379 19.818 -3.695 454 HE2 LYS 58 HE3 LYS 58 9.864 18.482 -5.659 455 HE3 LYS 58 HE2 LYS 58 8.151 18.435 -5.241 456 HZ1 LYS 58 HZ1 LYS 58 8.059 20.829 -5.547 457 HZ2 LYS 58 HZ2 LYS 58 8.571 20.051 -6.955 458 HZ3 LYS 58 HZ3 LYS 58 9.691 20.855 -5.980 459 H ARG 59 H ARG 59 10.563 15.551 -1.515 460 HA ARG 59 HA ARG 59 10.838 13.498 -3.563 461 HB2 ARG 59 HB3 ARG 59 12.612 15.215 -3.013 462 HB3 ARG 59 HB2 ARG 59 12.859 14.398 -1.477 463 HG2 ARG 59 HG3 ARG 59 13.584 12.363 -2.675 464 HG3 ARG 59 HG2 ARG 59 13.321 13.179 -4.220 465 HD2 ARG 59 HD3 ARG 59 15.382 13.862 -2.091 466 HD3 ARG 59 HD2 ARG 59 15.689 13.266 -3.726 467 HE ARG 59 HE ARG 59 14.550 15.946 -3.131 468 HH11 ARG 59 HH11 ARG 59 16.660 13.984 -5.058 469 HH12 ARG 59 HH12 ARG 59 17.219 15.337 -5.976 470 HH21 ARG 59 HH21 ARG 59 15.269 17.623 -4.340 471 HH22 ARG 59 HH22 ARG 59 16.451 17.357 -5.572 472 H LYS 60 H LYS 60 10.725 13.671 0.004 473 HA LYS 60 HA LYS 60 11.374 10.961 0.549 474 HB2 LYS 60 HB3 LYS 60 9.809 12.949 2.236 475 HB3 LYS 60 HB2 LYS 60 10.334 11.368 2.816 476 HG2 LYS 60 HG3 LYS 60 12.098 13.694 1.984 477 HG3 LYS 60 HG2 LYS 60 11.864 13.060 3.617 478 HD2 LYS 60 HD3 LYS 60 12.898 10.880 2.832 479 HD3 LYS 60 HD2 LYS 60 13.258 11.663 1.289 480 HE2 LYS 60 HE3 LYS 60 14.341 12.459 4.017 481 HE3 LYS 60 HE2 LYS 60 15.238 11.670 2.718 482 HZ1 LYS 60 HZ1 LYS 60 15.683 14.039 2.835 483 HZ2 LYS 60 HZ2 LYS 60 14.051 14.388 2.594 484 HZ3 LYS 60 HZ3 LYS 60 14.948 13.638 1.364 485 H VAL 61 H VAL 61 8.207 12.539 0.135 486 HA VAL 61 HA VAL 61 6.586 10.240 0.514 487 HB VAL 61 HB VAL 61 5.942 12.774 -1.074 488 HG11 VAL 61 HG11 VAL 61 3.553 12.152 -0.814 489 HG12 VAL 61 HG12 VAL 61 4.030 10.634 -0.045 490 HG13 VAL 61 HG13 VAL 61 4.438 10.932 -1.735 491 HG21 VAL 61 HG21 VAL 61 6.444 13.276 1.267 492 HG22 VAL 61 HG22 VAL 61 5.275 12.068 1.803 493 HG23 VAL 61 HG23 VAL 61 4.724 13.510 0.945 494 H GLY 62 H GLY 62 8.035 11.748 -2.396 495 HA2 GLY 62 HA3 GLY 62 7.037 10.078 -4.403 496 HA3 GLY 62 HA2 GLY 62 8.603 10.869 -4.446 497 H VAL 63 H VAL 63 10.089 9.648 -2.584 498 HA VAL 63 HA VAL 63 10.778 7.096 -3.618 499 HB VAL 63 HB VAL 63 11.628 8.394 -0.982 500 HG11 VAL 63 HG11 VAL 63 12.913 6.058 -2.465 501 HG12 VAL 63 HG12 VAL 63 12.076 5.976 -0.913 502 HG13 VAL 63 HG13 VAL 63 13.590 6.868 -1.048 503 HG21 VAL 63 HG21 VAL 63 12.209 9.786 -2.933 504 HG22 VAL 63 HG22 VAL 63 13.016 8.418 -3.698 505 HG23 VAL 63 HG23 VAL 63 13.664 9.104 -2.206 506 H LEU 64 H LEU 64 8.883 8.105 -0.784 507 HA LEU 64 HA LEU 64 8.501 5.653 0.519 508 HB2 LEU 64 HB3 LEU 64 7.842 7.809 1.501 509 HB3 LEU 64 HB2 LEU 64 6.601 8.017 0.279 510 HG LEU 64 HG LEU 64 5.394 6.013 1.217 511 HD11 LEU 64 HD11 LEU 64 6.005 5.157 3.437 512 HD12 LEU 64 HD12 LEU 64 7.476 6.133 3.416 513 HD13 LEU 64 HD13 LEU 64 7.257 4.833 2.238 514 HD21 LEU 64 HD21 LEU 64 4.701 8.275 1.869 515 HD22 LEU 64 HD22 LEU 64 5.856 8.265 3.203 516 HD23 LEU 64 HD23 LEU 64 4.493 7.144 3.205 517 H LEU 65 H LEU 65 6.587 7.111 -2.114 518 HA LEU 65 HA LEU 65 4.581 5.123 -2.349 519 HB2 LEU 65 HB3 LEU 65 5.650 7.059 -4.443 520 HB3 LEU 65 HB2 LEU 65 4.155 6.142 -4.595 521 HG LEU 65 HG LEU 65 4.706 8.262 -2.484 522 HD11 LEU 65 HD11 LEU 65 2.952 8.441 -4.943 523 HD12 LEU 65 HD12 LEU 65 4.471 9.295 -4.664 524 HD13 LEU 65 HD13 LEU 65 3.066 9.656 -3.665 525 HD21 LEU 65 HD21 LEU 65 2.172 6.689 -3.020 526 HD22 LEU 65 HD22 LEU 65 2.328 8.037 -1.891 527 HD23 LEU 65 HD23 LEU 65 3.224 6.549 -1.606 528 H ASP 66 H ASP 66 7.729 5.519 -3.906 529 HA ASP 66 HA ASP 66 7.720 3.344 -5.692 530 HB2 ASP 66 HB3 ASP 66 9.403 5.186 -5.695 531 HB3 ASP 66 HB2 ASP 66 10.066 4.587 -4.184 532 H ILE 67 H ILE 67 8.793 3.523 -2.281 533 HA ILE 67 HA ILE 67 9.600 0.822 -1.930 534 HB ILE 67 HB ILE 67 8.588 2.814 0.156 535 HG12 ILE 67 HG12 ILE 67 11.492 2.162 -0.555 536 HG13 ILE 67 HG11 ILE 67 10.619 3.541 -1.212 537 HG21 ILE 67 HG21 ILE 67 10.182 0.253 0.595 538 HG22 ILE 67 HG22 ILE 67 8.510 0.539 1.080 539 HG23 ILE 67 HG23 ILE 67 9.814 1.450 1.839 540 HD11 ILE 67 HD11 ILE 67 12.059 4.200 0.620 541 HD12 ILE 67 HD12 ILE 67 11.242 3.075 1.703 542 HD13 ILE 67 HD13 ILE 67 10.367 4.460 1.043 543 H LEU 68 H LEU 68 6.504 2.451 -1.180 544 HA LEU 68 HA LEU 68 5.171 0.180 -0.102 545 HB2 LEU 68 HB3 LEU 68 4.082 2.813 -1.144 546 HB3 LEU 68 HB2 LEU 68 3.091 1.601 -0.341 547 HG LEU 68 HG LEU 68 5.428 3.091 0.931 548 HD11 LEU 68 HD11 LEU 68 3.521 4.564 0.567 549 HD12 LEU 68 HD12 LEU 68 3.732 4.239 2.285 550 HD13 LEU 68 HD13 LEU 68 2.450 3.424 1.385 551 HD21 LEU 68 HD21 LEU 68 5.210 0.825 1.866 552 HD22 LEU 68 HD22 LEU 68 3.502 1.110 2.207 553 HD23 LEU 68 HD23 LEU 68 4.741 2.042 3.052 554 H GLN 69 H GLN 69 5.543 1.398 -3.364 555 HA GLN 69 HA GLN 69 3.637 -0.323 -4.631 556 HB2 GLN 69 HB3 GLN 69 4.539 1.717 -5.709 557 HB3 GLN 69 HB2 GLN 69 6.142 0.993 -5.752 558 HG2 GLN 69 HG3 GLN 69 5.299 -0.760 -7.298 559 HG3 GLN 69 HG2 GLN 69 3.702 -0.008 -7.255 560 HE21 GLN 69 HE21 GLN 69 7.011 0.360 -8.346 561 HE22 GLN 69 HE22 GLN 69 6.698 1.613 -9.491 562 H ARG 70 H ARG 70 7.128 -0.646 -3.890 563 HA ARG 70 HA ARG 70 7.652 -3.125 -5.135 564 HB2 ARG 70 HB3 ARG 70 8.898 -1.963 -2.610 565 HB3 ARG 70 HB2 ARG 70 9.545 -3.345 -3.496 566 HG2 ARG 70 HG3 ARG 70 9.969 -1.938 -5.447 567 HG3 ARG 70 HG2 ARG 70 9.236 -0.555 -4.640 568 HD2 ARG 70 HD3 ARG 70 11.013 -0.670 -2.897 569 HD3 ARG 70 HD2 ARG 70 11.775 -1.993 -3.795 570 HE ARG 70 HE ARG 70 11.522 0.808 -4.680 571 HH11 ARG 70 HH11 ARG 70 13.000 -2.288 -5.135 572 HH12 ARG 70 HH12 ARG 70 14.207 -1.661 -6.197 573 HH21 ARG 70 HH21 ARG 70 13.059 1.567 -6.028 574 HH22 ARG 70 HH22 ARG 70 14.243 0.496 -6.695 575 H THR 71 H THR 71 6.461 -2.425 -1.857 576 HA THR 71 HA THR 71 5.845 -5.263 -1.349 577 HB THR 71 HB THR 71 6.863 -4.004 0.514 578 HG1 THR 71 HG1 THR 71 5.030 -4.414 2.057 579 HG21 THR 71 HG21 THR 71 6.005 -1.734 0.073 580 HG22 THR 71 HG22 THR 71 5.618 -2.234 1.720 581 HG23 THR 71 HG23 THR 71 4.368 -2.257 0.476 582 H GLY 72 H GLY 72 4.455 -3.620 -3.423 583 HA2 GLY 72 HA3 GLY 72 2.234 -2.252 -3.038 584 HA3 GLY 72 HA2 GLY 72 2.370 -3.390 -4.352 585 H HIS 73 H HIS 73 2.078 -5.839 -2.878 586 HA HIS 73 HA HIS 73 -0.702 -6.126 -2.609 587 HB2 HIS 73 HB2 HIS 73 1.623 -7.818 -1.631 588 HB3 HIS 73 HB1 HIS 73 -0.031 -8.281 -1.239 589 HD1 HIS 73 HD1 HIS 73 -1.396 -9.378 -3.054 590 HD2 HIS 73 HD2 HIS 73 2.226 -7.910 -4.467 591 HE1 HIS 73 HE1 HIS 73 -1.186 -10.249 -5.392 592 HE2 HIS 73 HE2 HIS 73 0.869 -9.132 -6.295 593 H LYS 74 H LYS 74 1.694 -5.861 0.068 594 HA LYS 74 HA LYS 74 -0.368 -5.402 2.061 595 HB2 LYS 74 HB3 LYS 74 2.661 -5.443 2.167 596 HB3 LYS 74 HB2 LYS 74 1.721 -4.891 3.545 597 HG2 LYS 74 HG3 LYS 74 1.627 -7.654 2.297 598 HG3 LYS 74 HG2 LYS 74 2.363 -7.213 3.842 599 HD2 LYS 74 HD3 LYS 74 -0.605 -7.190 3.140 600 HD3 LYS 74 HD2 LYS 74 0.214 -8.262 4.275 601 HE2 LYS 74 HE3 LYS 74 -0.224 -5.269 4.612 602 HE3 LYS 74 HE2 LYS 74 -1.042 -6.556 5.495 603 HZ1 LYS 74 HZ1 LYS 74 0.667 -5.623 6.849 604 HZ2 LYS 74 HZ2 LYS 74 1.839 -5.856 5.654 605 HZ3 LYS 74 HZ3 LYS 74 1.136 -7.188 6.415 606 H GLY 75 H GLY 75 2.054 -3.408 0.405 607 HA2 GLY 75 HA3 GLY 75 1.917 -1.038 1.850 608 HA3 GLY 75 HA2 GLY 75 2.384 -1.167 0.163 609 H TYR 76 H TYR 76 -0.041 -2.058 -0.950 610 HA TYR 76 HA TYR 76 -1.514 0.350 -1.274 611 HB2 TYR 76 HB2 TYR 76 -1.365 -1.297 -3.085 612 HB3 TYR 76 HB1 TYR 76 -2.214 -2.495 -2.114 613 HD1 TYR 76 HD1 TYR 76 -4.447 -2.850 -2.777 614 HD2 TYR 76 HD2 TYR 76 -2.796 1.072 -3.192 615 HE1 TYR 76 HE1 TYR 76 -6.584 -2.043 -3.689 616 HE2 TYR 76 HE2 TYR 76 -4.926 1.868 -4.094 617 HH TYR 76 HH TYR 76 -7.787 0.178 -3.887 618 H VAL 77 H VAL 77 -2.301 -2.682 0.502 619 HA VAL 77 HA VAL 77 -4.927 -1.937 1.306 620 HB VAL 77 HB VAL 77 -3.052 -3.912 2.687 621 HG11 VAL 77 HG11 VAL 77 -4.944 -3.300 4.150 622 HG12 VAL 77 HG12 VAL 77 -5.120 -4.961 3.585 623 HG13 VAL 77 HG13 VAL 77 -6.087 -3.677 2.858 624 HG21 VAL 77 HG21 VAL 77 -3.381 -4.463 0.304 625 HG22 VAL 77 HG22 VAL 77 -5.132 -4.405 0.518 626 HG23 VAL 77 HG23 VAL 77 -4.185 -5.650 1.336 627 H ALA 78 H ALA 78 -1.794 -1.635 2.958 628 HA ALA 78 HA ALA 78 -2.649 -0.358 5.331 629 HB1 ALA 78 HB1 ALA 78 -0.316 0.394 5.542 630 HB2 ALA 78 HB2 ALA 78 -0.011 -0.065 3.862 631 HB3 ALA 78 HB3 ALA 78 -0.403 -1.302 5.059 632 H PHE 79 H PHE 79 -1.658 0.971 2.156 633 HA PHE 79 HA PHE 79 -1.904 3.716 2.873 634 HB2 PHE 79 HB2 PHE 79 -0.853 2.387 0.675 635 HB3 PHE 79 HB1 PHE 79 -2.309 3.072 -0.022 636 HD1 PHE 79 HD1 PHE 79 -1.574 4.884 -1.383 637 HD2 PHE 79 HD2 PHE 79 0.048 4.450 2.557 638 HE1 PHE 79 HE1 PHE 79 -0.390 7.042 -1.613 639 HE2 PHE 79 HE2 PHE 79 1.224 6.592 2.303 640 HZ PHE 79 HZ PHE 79 1.017 7.878 0.221 641 H LEU 80 H LEU 80 -4.209 1.349 1.629 642 HA LEU 80 HA LEU 80 -6.432 2.982 1.103 643 HB2 LEU 80 HB3 LEU 80 -6.259 0.118 2.112 644 HB3 LEU 80 HB2 LEU 80 -7.805 0.891 1.830 645 HG LEU 80 HG LEU 80 -5.731 0.435 -0.356 646 HD11 LEU 80 HD11 LEU 80 -7.146 -1.443 -1.108 647 HD12 LEU 80 HD12 LEU 80 -8.181 -1.241 0.309 648 HD13 LEU 80 HD13 LEU 80 -6.497 -1.733 0.506 649 HD21 LEU 80 HD21 LEU 80 -8.660 1.227 -0.503 650 HD22 LEU 80 HD22 LEU 80 -7.621 0.875 -1.887 651 HD23 LEU 80 HD23 LEU 80 -7.276 2.261 -0.860 652 H GLU 81 H GLU 81 -5.732 1.079 4.043 653 HA GLU 81 HA GLU 81 -7.856 2.232 5.560 654 HB2 GLU 81 HB3 GLU 81 -5.488 0.561 6.466 655 HB3 GLU 81 HB2 GLU 81 -6.918 0.911 7.439 656 HG2 GLU 81 HG3 GLU 81 -8.326 -0.291 5.806 657 HG3 GLU 81 HG2 GLU 81 -6.901 -0.635 4.825 658 H SER 82 H SER 82 -4.540 3.270 5.100 659 HA SER 82 HA SER 82 -4.479 4.975 7.459 660 HB2 SER 82 HB3 SER 82 -2.344 5.848 6.578 661 HB3 SER 82 HB2 SER 82 -2.351 4.088 6.525 662 HG SER 82 HG SER 82 -1.960 4.262 4.490 663 H LEU 83 H LEU 83 -4.586 5.646 3.893 664 HA LEU 83 HA LEU 83 -5.010 8.460 4.343 665 HB2 LEU 83 HB3 LEU 83 -5.397 6.930 1.758 666 HB3 LEU 83 HB2 LEU 83 -5.236 8.671 1.933 667 HG LEU 83 HG LEU 83 -3.098 6.544 2.221 668 HD11 LEU 83 HD11 LEU 83 -1.933 7.984 0.541 669 HD12 LEU 83 HD12 LEU 83 -3.379 8.985 0.445 670 HD13 LEU 83 HD13 LEU 83 -3.443 7.283 -0.039 671 HD21 LEU 83 HD21 LEU 83 -1.500 8.278 2.950 672 HD22 LEU 83 HD22 LEU 83 -2.767 8.028 4.144 673 HD23 LEU 83 HD23 LEU 83 -2.816 9.448 3.094 674 H GLU 84 H GLU 84 -7.211 5.761 3.953 675 HA GLU 84 HA GLU 84 -9.564 7.205 3.295 676 HB2 GLU 84 HB3 GLU 84 -9.295 4.709 3.178 677 HB3 GLU 84 HB2 GLU 84 -9.353 4.651 4.935 678 HG2 GLU 84 HG3 GLU 84 -11.663 5.614 4.836 679 HG3 GLU 84 HG2 GLU 84 -11.586 5.528 3.076 680 H LEU 85 H LEU 85 -7.860 6.750 6.341 681 HA LEU 85 HA LEU 85 -10.031 7.891 7.958 682 HB2 LEU 85 HB3 LEU 85 -7.289 6.864 8.790 683 HB3 LEU 85 HB2 LEU 85 -8.553 7.393 9.894 684 HG LEU 85 HG LEU 85 -8.693 4.964 8.057 685 HD11 LEU 85 HD11 LEU 85 -7.170 4.630 9.950 686 HD12 LEU 85 HD12 LEU 85 -8.610 3.631 10.122 687 HD13 LEU 85 HD13 LEU 85 -8.440 5.104 11.082 688 HD21 LEU 85 HD21 LEU 85 -10.833 4.439 9.186 689 HD22 LEU 85 HD22 LEU 85 -10.920 5.955 8.296 690 HD23 LEU 85 HD23 LEU 85 -10.757 5.976 10.054 691 H TYR 86 H TYR 86 -6.634 8.668 7.112 692 HA TYR 86 HA TYR 86 -6.658 11.135 8.645 693 HB2 TYR 86 HB2 TYR 86 -4.528 9.781 6.950 694 HB3 TYR 86 HB1 TYR 86 -4.268 11.338 7.735 695 HD1 TYR 86 HD1 TYR 86 -4.048 11.493 10.185 696 HD2 TYR 86 HD2 TYR 86 -4.690 7.706 8.318 697 HE1 TYR 86 HE1 TYR 86 -3.429 10.355 12.273 698 HE2 TYR 86 HE2 TYR 86 -4.069 6.569 10.403 699 HH TYR 86 HH TYR 86 -3.782 8.201 13.379 700 H TYR 87 H TYR 87 -6.835 10.300 5.190 701 HA TYR 87 HA TYR 87 -7.418 13.144 4.513 702 HB2 TYR 87 HB2 TYR 87 -5.676 11.254 2.842 703 HB3 TYR 87 HB1 TYR 87 -6.137 12.886 2.387 704 HD1 TYR 87 HD1 TYR 87 -3.975 10.873 4.609 705 HD2 TYR 87 HD2 TYR 87 -4.970 14.836 3.344 706 HE1 TYR 87 HE1 TYR 87 -1.932 11.729 5.673 707 HE2 TYR 87 HE2 TYR 87 -2.924 15.686 4.412 708 HH TYR 87 HH TYR 87 -0.433 13.621 5.532 709 HA PRO 88 HA PRO 88 -10.411 9.470 3.254 710 HB2 PRO 88 HB3 PRO 88 -12.800 10.870 3.856 711 HB3 PRO 88 HB2 PRO 88 -11.984 9.696 4.897 712 HG2 PRO 88 HG3 PRO 88 -11.799 12.707 4.910 713 HG3 PRO 88 HG2 PRO 88 -11.887 11.580 6.284 714 HD2 PRO 88 HD3 PRO 88 -9.554 12.676 5.602 715 HD3 PRO 88 HD2 PRO 88 -9.616 10.964 6.074 716 H GLN 89 H GLN 89 -11.685 12.797 2.663 717 HA GLN 89 HA GLN 89 -12.886 12.296 0.199 718 HB2 GLN 89 HB3 GLN 89 -12.849 14.787 -0.127 719 HB3 GLN 89 HB2 GLN 89 -13.479 14.271 1.431 720 HG2 GLN 89 HG3 GLN 89 -11.316 14.842 2.482 721 HG3 GLN 89 HG2 GLN 89 -10.705 15.395 0.924 722 HE21 GLN 89 HE21 GLN 89 -11.511 17.355 0.069 723 HE22 GLN 89 HE22 GLN 89 -12.376 18.488 1.037 724 H LEU 90 H LEU 90 -9.561 13.390 0.864 725 HA LEU 90 HA LEU 90 -8.729 13.962 -1.779 726 HB2 LEU 90 HB3 LEU 90 -7.435 14.669 0.228 727 HB3 LEU 90 HB2 LEU 90 -7.053 12.989 0.572 728 HG LEU 90 HG LEU 90 -5.811 12.887 -1.644 729 HD11 LEU 90 HD11 LEU 90 -5.138 14.975 -2.736 730 HD12 LEU 90 HD12 LEU 90 -6.184 15.895 -1.656 731 HD13 LEU 90 HD13 LEU 90 -6.884 14.745 -2.800 732 HD21 LEU 90 HD21 LEU 90 -4.749 14.886 0.379 733 HD22 LEU 90 HD22 LEU 90 -3.790 14.020 -0.824 734 HD23 LEU 90 HD23 LEU 90 -4.593 13.130 0.467 735 H TYR 91 H TYR 91 -8.565 10.979 0.165 736 HA TYR 91 HA TYR 91 -7.089 9.498 -1.771 737 HB2 TYR 91 HB2 TYR 91 -7.097 8.990 0.703 738 HB3 TYR 91 HB1 TYR 91 -8.710 8.311 0.504 739 HD1 TYR 91 HD1 TYR 91 -8.647 5.921 0.472 740 HD2 TYR 91 HD2 TYR 91 -5.458 8.073 -1.392 741 HE1 TYR 91 HE1 TYR 91 -7.607 3.813 -0.221 742 HE2 TYR 91 HE2 TYR 91 -4.421 5.956 -2.075 743 HH TYR 91 HH TYR 91 -4.426 3.599 -1.377 744 H LYS 92 H LYS 92 -10.541 9.744 -1.000 745 HA LYS 92 HA LYS 92 -11.498 7.802 -2.838 746 HB2 LYS 92 HB3 LYS 92 -12.864 10.302 -1.760 747 HB3 LYS 92 HB2 LYS 92 -13.687 9.004 -2.631 748 HG2 LYS 92 HG3 LYS 92 -12.981 7.415 -0.814 749 HG3 LYS 92 HG2 LYS 92 -12.291 8.780 0.062 750 HD2 LYS 92 HD3 LYS 92 -14.477 8.299 0.994 751 HD3 LYS 92 HD2 LYS 92 -14.567 9.838 0.131 752 HE2 LYS 92 HE3 LYS 92 -16.545 8.420 -0.317 753 HE3 LYS 92 HE2 LYS 92 -15.623 8.717 -1.792 754 HZ1 LYS 92 HZ1 LYS 92 -16.362 6.387 -1.499 755 HZ2 LYS 92 HZ2 LYS 92 -15.362 6.263 -0.142 756 HZ3 LYS 92 HZ3 LYS 92 -14.688 6.540 -1.669 757 H LYS 93 H LYS 93 -10.677 11.242 -3.239 758 HA LYS 93 HA LYS 93 -11.499 11.496 -5.967 759 HB2 LYS 93 HB3 LYS 93 -9.518 13.071 -4.285 760 HB3 LYS 93 HB2 LYS 93 -9.882 13.497 -5.955 761 HG2 LYS 93 HG3 LYS 93 -11.931 13.366 -3.713 762 HG3 LYS 93 HG2 LYS 93 -11.151 14.845 -4.286 763 HD2 LYS 93 HD3 LYS 93 -12.154 14.494 -6.531 764 HD3 LYS 93 HD2 LYS 93 -12.933 13.017 -5.957 765 HE2 LYS 93 HE3 LYS 93 -14.292 14.318 -4.382 766 HE3 LYS 93 HE2 LYS 93 -13.461 15.804 -4.854 767 HZ1 LYS 93 HZ1 LYS 93 -14.356 15.591 -7.060 768 HZ2 LYS 93 HZ2 LYS 93 -15.622 15.533 -5.943 769 HZ3 LYS 93 HZ3 LYS 93 -15.079 14.113 -6.680 770 H VAL 94 H VAL 94 -8.261 10.745 -4.548 771 HA VAL 94 HA VAL 94 -6.923 10.701 -7.084 772 HB VAL 94 HB VAL 94 -4.942 9.869 -5.911 773 HG11 VAL 94 HG11 VAL 94 -6.324 12.113 -4.386 774 HG12 VAL 94 HG12 VAL 94 -5.367 12.284 -5.859 775 HG13 VAL 94 HG13 VAL 94 -4.589 11.773 -4.360 776 HG21 VAL 94 HG21 VAL 94 -5.973 8.300 -4.334 777 HG22 VAL 94 HG22 VAL 94 -6.687 9.641 -3.438 778 HG23 VAL 94 HG23 VAL 94 -4.935 9.442 -3.479 779 H THR 95 H THR 95 -8.616 8.203 -5.284 780 HA THR 95 HA THR 95 -7.580 6.015 -6.916 781 HB THR 95 HB THR 95 -9.379 4.635 -5.819 782 HG1 THR 95 HG1 THR 95 -10.000 6.544 -3.928 783 HG21 THR 95 HG21 THR 95 -8.450 4.734 -3.507 784 HG22 THR 95 HG22 THR 95 -7.660 6.264 -3.910 785 HG23 THR 95 HG23 THR 95 -7.180 4.779 -4.735 786 H GLY 96 H GLY 96 -10.581 7.949 -6.731 787 HA2 GLY 96 HA3 GLY 96 -11.994 8.667 -8.392 788 HA3 GLY 96 HA2 GLY 96 -10.953 7.909 -9.576 789 H LYS 97 H LYS 97 -11.427 5.258 -8.029 790 HA LYS 97 HA LYS 97 -13.743 4.485 -9.643 791 HB2 LYS 97 HB3 LYS 97 -12.820 2.122 -9.265 792 HB3 LYS 97 HB2 LYS 97 -11.862 3.212 -10.257 793 HG2 LYS 97 HG3 LYS 97 -10.403 3.657 -8.239 794 HG3 LYS 97 HG2 LYS 97 -11.300 2.402 -7.379 795 HD2 LYS 97 HD3 LYS 97 -9.678 1.998 -9.931 796 HD3 LYS 97 HD2 LYS 97 -9.156 1.559 -8.302 797 HE2 LYS 97 HE3 LYS 97 -10.937 -0.092 -8.126 798 HE3 LYS 97 HE2 LYS 97 -11.607 0.398 -9.683 799 HZ1 LYS 97 HZ1 LYS 97 -10.338 -1.562 -9.973 800 HZ2 LYS 97 HZ2 LYS 97 -8.995 -0.908 -9.199 801 HZ3 LYS 97 HZ3 LYS 97 -9.486 -0.297 -10.692
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