NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18452 | 2dml | 11100 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -22.129 10.857 -26.981 2 HA2 GLY 1 1HA GLY 1 -20.299 12.043 -28.517 3 HA3 GLY 1 2HA GLY 1 -19.285 11.427 -27.220 4 H SER 2 H SER 2 -18.253 10.224 -28.980 5 HA SER 2 HA SER 2 -19.803 7.870 -29.823 6 HB2 SER 2 1HB SER 2 -18.009 7.597 -31.556 7 HB3 SER 2 2HB SER 2 -18.931 9.092 -31.711 8 HG SER 2 HG SER 2 -16.368 8.918 -31.602 9 H SER 3 H SER 3 -16.543 8.804 -28.736 10 HA SER 3 HA SER 3 -16.308 6.149 -27.480 11 HB2 SER 3 1HB SER 3 -14.858 6.576 -29.572 12 HB3 SER 3 2HB SER 3 -13.931 7.665 -28.541 13 HG SER 3 HG SER 3 -12.919 5.821 -28.171 14 H GLY 4 H GLY 4 -15.542 6.079 -25.418 15 HA2 GLY 4 1HA GLY 4 -15.294 8.659 -24.060 16 HA3 GLY 4 2HA GLY 4 -15.551 7.101 -23.288 17 H SER 5 H SER 5 -13.654 8.972 -22.411 18 HA SER 5 HA SER 5 -11.269 7.334 -22.557 19 HB2 SER 5 1HB SER 5 -11.226 9.108 -24.452 20 HB3 SER 5 2HB SER 5 -10.927 10.262 -23.152 21 HG SER 5 HG SER 5 -9.381 7.917 -23.457 22 H SER 6 H SER 6 -9.484 8.448 -21.151 23 HA SER 6 HA SER 6 -10.784 9.651 -18.795 24 HB2 SER 6 1HB SER 6 -10.099 7.208 -18.544 25 HB3 SER 6 2HB SER 6 -8.430 7.764 -18.652 26 HG SER 6 HG SER 6 -9.932 7.686 -16.512 27 H GLY 7 H GLY 7 -9.266 10.844 -17.370 28 HA2 GLY 7 1HA GLY 7 -7.093 12.081 -18.948 29 HA3 GLY 7 2HA GLY 7 -8.171 13.020 -17.926 30 H ALA 8 H ALA 8 -5.489 13.262 -17.573 31 HA ALA 8 HA ALA 8 -4.457 11.478 -15.599 32 HB1 ALA 8 1HB ALA 8 -3.528 13.798 -17.062 33 HB2 ALA 8 2HB ALA 8 -3.015 13.833 -15.374 34 HB3 ALA 8 3HB ALA 8 -2.615 12.447 -16.389 35 H VAL 9 H VAL 9 -4.836 11.446 -13.485 36 HA VAL 9 HA VAL 9 -6.261 13.714 -12.281 37 HB VAL 9 HB VAL 9 -7.009 12.221 -10.560 38 HG11 VAL 9 1HG1 VAL 9 -7.957 10.311 -12.116 39 HG12 VAL 9 2HG1 VAL 9 -8.513 11.979 -12.265 40 HG13 VAL 9 3HG1 VAL 9 -7.307 11.346 -13.386 41 HG21 VAL 9 1HG2 VAL 9 -5.446 10.718 -9.935 42 HG22 VAL 9 2HG2 VAL 9 -6.286 9.677 -11.085 43 HG23 VAL 9 3HG2 VAL 9 -4.820 10.526 -11.573 44 H SER 10 H SER 10 -5.784 13.698 -9.739 45 HA SER 10 HA SER 10 -3.082 14.595 -9.500 46 HB2 SER 10 1HB SER 10 -5.207 14.221 -7.375 47 HB3 SER 10 2HB SER 10 -3.686 15.087 -7.158 48 HG SER 10 HG SER 10 -4.398 16.695 -8.409 49 H GLY 11 H GLY 11 -1.387 13.713 -8.350 50 HA2 GLY 11 1HA GLY 11 -1.402 11.593 -6.593 51 HA3 GLY 11 2HA GLY 11 -1.325 10.861 -8.189 52 H LEU 12 H LEU 12 0.540 11.620 -5.690 53 HA LEU 12 HA LEU 12 2.701 13.071 -6.679 54 HB2 LEU 12 1HB LEU 12 2.810 10.778 -4.727 55 HB3 LEU 12 2HB LEU 12 4.011 12.055 -4.916 56 HG LEU 12 HG LEU 12 1.192 12.416 -3.901 57 HD11 LEU 12 1HD1 LEU 12 3.833 12.056 -2.574 58 HD12 LEU 12 2HD1 LEU 12 2.246 11.436 -2.119 59 HD13 LEU 12 3HD1 LEU 12 2.644 13.132 -1.839 60 HD21 LEU 12 1HD2 LEU 12 1.440 14.600 -4.203 61 HD22 LEU 12 2HD2 LEU 12 2.924 14.272 -5.097 62 HD23 LEU 12 3HD2 LEU 12 2.990 14.583 -3.362 63 H TYR 13 H TYR 13 1.793 9.738 -7.160 64 HA TYR 13 HA TYR 13 4.317 9.170 -8.527 65 HB2 TYR 13 1HB TYR 13 2.014 7.301 -7.937 66 HB3 TYR 13 2HB TYR 13 3.609 6.846 -8.526 67 HD1 TYR 13 2HD TYR 13 1.995 8.597 -5.648 68 HD2 TYR 13 1HD TYR 13 5.202 6.149 -6.999 69 HE1 TYR 13 2HE TYR 13 2.773 8.345 -3.328 70 HE2 TYR 13 1HE TYR 13 5.988 5.889 -4.683 71 HH TYR 13 HH TYR 13 5.695 6.476 -2.562 72 H SER 14 H SER 14 3.803 7.519 -10.482 73 HA SER 14 HA SER 14 1.590 8.395 -12.124 74 HB2 SER 14 1HB SER 14 4.449 9.011 -12.902 75 HB3 SER 14 2HB SER 14 3.079 9.100 -14.008 76 HG SER 14 HG SER 14 2.722 11.010 -13.241 77 H SER 15 H SER 15 1.169 7.020 -13.860 78 HA SER 15 HA SER 15 1.766 4.341 -13.553 79 HB2 SER 15 1HB SER 15 0.945 4.067 -15.896 80 HB3 SER 15 2HB SER 15 -0.117 5.061 -14.899 81 HG SER 15 HG SER 15 1.724 5.911 -16.875 82 H SER 16 H SER 16 3.575 6.825 -15.177 83 HA SER 16 HA SER 16 5.186 5.325 -16.870 84 HB2 SER 16 1HB SER 16 6.766 7.164 -16.778 85 HB3 SER 16 2HB SER 16 5.127 7.817 -16.772 86 HG SER 16 HG SER 16 5.306 8.164 -14.564 87 H ASP 17 H ASP 17 5.751 6.189 -13.466 88 HA ASP 17 HA ASP 17 8.211 4.884 -13.176 89 HB2 ASP 17 1HB ASP 17 6.303 4.979 -10.879 90 HB3 ASP 17 2HB ASP 17 8.028 5.334 -10.919 91 H ASP 18 H ASP 18 8.202 3.079 -11.237 92 HA ASP 18 HA ASP 18 7.091 0.745 -12.535 93 HB2 ASP 18 1HB ASP 18 8.716 0.916 -9.989 94 HB3 ASP 18 2HB ASP 18 8.399 -0.534 -10.937 95 H VAL 19 H VAL 19 6.231 2.844 -9.983 96 HA VAL 19 HA VAL 19 4.722 1.008 -8.409 97 HB VAL 19 HB VAL 19 4.527 4.017 -8.591 98 HG11 VAL 19 1HG1 VAL 19 3.674 2.679 -6.128 99 HG12 VAL 19 2HG1 VAL 19 2.934 4.016 -7.010 100 HG13 VAL 19 3HG1 VAL 19 2.650 2.354 -7.526 101 HG21 VAL 19 1HG2 VAL 19 6.681 2.721 -7.772 102 HG22 VAL 19 2HG2 VAL 19 6.113 4.177 -6.954 103 HG23 VAL 19 3HG2 VAL 19 5.741 2.588 -6.285 104 H ILE 20 H ILE 20 2.726 0.249 -8.703 105 HA ILE 20 HA ILE 20 1.254 1.052 -11.069 106 HB ILE 20 HB ILE 20 0.703 -1.102 -9.026 107 HG12 ILE 20 1HG1 ILE 20 1.521 -1.407 -11.915 108 HG13 ILE 20 2HG1 ILE 20 2.691 -1.335 -10.603 109 HG21 ILE 20 1HG2 ILE 20 -1.101 -1.847 -10.362 110 HG22 ILE 20 2HG2 ILE 20 -1.331 -0.112 -10.146 111 HG23 ILE 20 3HG2 ILE 20 -0.689 -0.733 -11.666 112 HD11 ILE 20 1HD1 ILE 20 2.253 -3.624 -11.219 113 HD12 ILE 20 2HD1 ILE 20 1.647 -3.311 -9.592 114 HD13 ILE 20 3HD1 ILE 20 0.526 -3.393 -10.950 115 H GLU 21 H GLU 21 -0.228 2.596 -11.036 116 HA GLU 21 HA GLU 21 -1.139 3.825 -8.657 117 HB2 GLU 21 1HB GLU 21 -0.962 4.864 -10.975 118 HB3 GLU 21 2HB GLU 21 -2.467 4.039 -11.355 119 HG2 GLU 21 1HG GLU 21 -3.304 6.041 -10.712 120 HG3 GLU 21 2HG GLU 21 -3.266 5.240 -9.143 121 H LEU 22 H LEU 22 -2.182 2.424 -7.299 122 HA LEU 22 HA LEU 22 -4.308 0.720 -8.239 123 HB2 LEU 22 1HB LEU 22 -3.155 1.320 -5.534 124 HB3 LEU 22 2HB LEU 22 -4.596 0.325 -5.730 125 HG LEU 22 HG LEU 22 -1.856 -0.286 -6.839 126 HD11 LEU 22 1HD1 LEU 22 -3.020 -0.730 -4.272 127 HD12 LEU 22 2HD1 LEU 22 -1.426 -1.192 -4.865 128 HD13 LEU 22 3HD1 LEU 22 -2.797 -2.280 -5.084 129 HD21 LEU 22 1HD2 LEU 22 -3.267 -2.585 -6.998 130 HD22 LEU 22 2HD2 LEU 22 -3.074 -1.448 -8.333 131 HD23 LEU 22 3HD2 LEU 22 -4.531 -1.404 -7.339 132 H THR 23 H THR 23 -6.452 1.076 -8.147 133 HA THR 23 HA THR 23 -7.407 3.476 -6.738 134 HB THR 23 HB THR 23 -8.531 4.328 -8.530 135 HG1 THR 23 1HG THR 23 -9.404 3.047 -10.182 136 HG21 THR 23 1HG2 THR 23 -5.969 3.663 -9.091 137 HG22 THR 23 2HG2 THR 23 -7.000 4.600 -10.173 138 HG23 THR 23 3HG2 THR 23 -6.806 2.865 -10.421 139 HA PRO 24 HA PRO 24 -10.649 1.006 -5.112 140 HB2 PRO 24 1HB PRO 24 -12.762 2.711 -5.147 141 HB3 PRO 24 2HB PRO 24 -11.408 2.882 -4.024 142 HG2 PRO 24 1HG PRO 24 -11.929 4.322 -6.596 143 HG3 PRO 24 2HG PRO 24 -11.351 4.969 -5.049 144 HD2 PRO 24 1HD PRO 24 -9.689 4.446 -7.122 145 HD3 PRO 24 2HD PRO 24 -9.184 4.281 -5.429 146 H SER 25 H SER 25 -10.323 1.294 -8.216 147 HA SER 25 HA SER 25 -12.972 0.178 -8.867 148 HB2 SER 25 1HB SER 25 -11.276 2.153 -10.314 149 HB3 SER 25 2HB SER 25 -12.167 0.983 -11.287 150 HG SER 25 HG SER 25 -14.069 1.730 -10.430 151 H ASN 26 H ASN 26 -9.543 -0.170 -9.001 152 HA ASN 26 HA ASN 26 -9.880 -2.742 -10.397 153 HB2 ASN 26 1HB ASN 26 -7.333 -2.249 -10.981 154 HB3 ASN 26 2HB ASN 26 -8.644 -1.642 -11.988 155 HD21 ASN 26 1HD2 ASN 26 -6.095 -0.844 -9.827 156 HD22 ASN 26 2HD2 ASN 26 -6.217 0.873 -9.970 157 H PHE 27 H PHE 27 -8.708 -1.047 -7.674 158 HA PHE 27 HA PHE 27 -6.616 -2.321 -6.625 159 HB2 PHE 27 1HB PHE 27 -8.059 -0.659 -5.431 160 HB3 PHE 27 2HB PHE 27 -9.180 -1.965 -5.062 161 HD1 PHE 27 1HD PHE 27 -7.957 -4.096 -3.978 162 HD2 PHE 27 2HD PHE 27 -6.578 -0.073 -3.790 163 HE1 PHE 27 1HE PHE 27 -6.662 -4.637 -1.957 164 HE2 PHE 27 2HE PHE 27 -5.281 -0.608 -1.770 165 HZ PHE 27 HZ PHE 27 -5.321 -2.893 -0.851 166 H ASN 28 H ASN 28 -9.802 -3.746 -7.029 167 HA ASN 28 HA ASN 28 -9.131 -6.175 -5.645 168 HB2 ASN 28 1HB ASN 28 -11.466 -5.201 -5.871 169 HB3 ASN 28 2HB ASN 28 -11.441 -5.752 -7.543 170 HD21 ASN 28 1HD2 ASN 28 -11.209 -8.028 -7.934 171 HD22 ASN 28 2HD2 ASN 28 -11.787 -9.163 -6.766 172 H ARG 29 H ARG 29 -9.532 -5.216 -9.040 173 HA ARG 29 HA ARG 29 -8.826 -7.805 -10.046 174 HB2 ARG 29 1HB ARG 29 -9.392 -5.128 -11.243 175 HB3 ARG 29 2HB ARG 29 -8.556 -6.328 -12.221 176 HG2 ARG 29 1HG ARG 29 -11.123 -6.978 -10.821 177 HG3 ARG 29 2HG ARG 29 -11.104 -6.179 -12.394 178 HD2 ARG 29 1HD ARG 29 -9.433 -8.163 -12.953 179 HD3 ARG 29 2HD ARG 29 -10.325 -8.947 -11.651 180 HE ARG 29 HE ARG 29 -11.950 -7.733 -13.715 181 HH11 ARG 29 2HH1 ARG 29 -10.377 -10.613 -12.555 182 HH12 ARG 29 1HH1 ARG 29 -11.387 -11.688 -13.463 183 HH21 ARG 29 2HH2 ARG 29 -13.287 -9.138 -14.916 184 HH22 ARG 29 1HH2 ARG 29 -13.041 -10.848 -14.807 185 H GLU 30 H GLU 30 -7.037 -5.398 -8.642 186 HA GLU 30 HA GLU 30 -4.636 -6.003 -10.227 187 HB2 GLU 30 1HB GLU 30 -5.509 -3.656 -8.624 188 HB3 GLU 30 2HB GLU 30 -3.789 -4.019 -8.649 189 HG2 GLU 30 1HG GLU 30 -5.338 -3.836 -11.198 190 HG3 GLU 30 2HG GLU 30 -4.762 -2.381 -10.386 191 H VAL 31 H VAL 31 -5.730 -5.640 -6.861 192 HA VAL 31 HA VAL 31 -3.413 -7.202 -5.971 193 HB VAL 31 HB VAL 31 -5.412 -5.628 -4.340 194 HG11 VAL 31 1HG1 VAL 31 -3.012 -7.265 -3.599 195 HG12 VAL 31 2HG1 VAL 31 -3.564 -5.934 -2.579 196 HG13 VAL 31 3HG1 VAL 31 -4.634 -7.297 -2.909 197 HG21 VAL 31 1HG2 VAL 31 -3.623 -4.493 -5.915 198 HG22 VAL 31 2HG2 VAL 31 -3.954 -3.865 -4.300 199 HG23 VAL 31 3HG2 VAL 31 -2.541 -4.883 -4.578 200 H ILE 32 H ILE 32 -6.853 -6.975 -5.045 201 HA ILE 32 HA ILE 32 -7.102 -9.383 -3.755 202 HB ILE 32 HB ILE 32 -9.207 -8.148 -5.534 203 HG12 ILE 32 1HG1 ILE 32 -8.279 -6.550 -3.888 204 HG13 ILE 32 2HG1 ILE 32 -9.958 -6.954 -3.548 205 HG21 ILE 32 1HG2 ILE 32 -10.811 -9.341 -4.257 206 HG22 ILE 32 2HG2 ILE 32 -9.578 -10.505 -4.738 207 HG23 ILE 32 3HG2 ILE 32 -9.594 -9.865 -3.094 208 HD11 ILE 32 1HD1 ILE 32 -9.317 -8.388 -1.754 209 HD12 ILE 32 2HD1 ILE 32 -7.610 -8.230 -2.172 210 HD13 ILE 32 3HD1 ILE 32 -8.497 -6.840 -1.546 211 H GLN 33 H GLN 33 -7.023 -8.770 -7.200 212 HA GLN 33 HA GLN 33 -7.580 -11.587 -7.769 213 HB2 GLN 33 1HB GLN 33 -7.420 -9.139 -9.520 214 HB3 GLN 33 2HB GLN 33 -7.519 -10.766 -10.180 215 HG2 GLN 33 1HG GLN 33 -9.576 -9.150 -8.788 216 HG3 GLN 33 2HG GLN 33 -9.718 -10.198 -10.198 217 HE21 GLN 33 1HE2 GLN 33 -9.766 -10.012 -6.745 218 HE22 GLN 33 2HE2 GLN 33 -10.351 -11.612 -6.457 219 H SER 34 H SER 34 -5.084 -10.699 -6.522 220 HA SER 34 HA SER 34 -3.220 -11.683 -8.578 221 HB2 SER 34 1HB SER 34 -2.806 -9.301 -8.264 222 HB3 SER 34 2HB SER 34 -2.685 -9.527 -6.519 223 HG SER 34 HG SER 34 -0.944 -11.136 -7.258 224 H ASP 35 H ASP 35 -3.168 -13.775 -7.856 225 HA ASP 35 HA ASP 35 -3.156 -14.700 -5.256 226 HB2 ASP 35 1HB ASP 35 -3.401 -16.333 -6.922 227 HB3 ASP 35 2HB ASP 35 -1.967 -15.793 -7.791 228 H GLY 36 H GLY 36 -0.606 -13.168 -7.036 229 HA2 GLY 36 1HA GLY 36 1.552 -14.060 -5.389 230 HA3 GLY 36 2HA GLY 36 1.595 -12.718 -6.522 231 H LEU 37 H LEU 37 2.912 -11.680 -4.865 232 HA LEU 37 HA LEU 37 1.455 -10.792 -2.492 233 HB2 LEU 37 1HB LEU 37 3.942 -11.643 -2.641 234 HB3 LEU 37 2HB LEU 37 4.255 -9.967 -3.084 235 HG LEU 37 HG LEU 37 3.002 -9.387 -0.904 236 HD11 LEU 37 1HD1 LEU 37 3.663 -11.413 0.723 237 HD12 LEU 37 2HD1 LEU 37 3.248 -12.322 -0.730 238 HD13 LEU 37 3HD1 LEU 37 2.066 -11.232 -0.004 239 HD21 LEU 37 1HD2 LEU 37 5.728 -10.068 -1.482 240 HD22 LEU 37 2HD2 LEU 37 5.350 -10.460 0.195 241 HD23 LEU 37 3HD2 LEU 37 5.091 -8.823 -0.408 242 H TRP 38 H TRP 38 1.079 -8.633 -2.010 243 HA TRP 38 HA TRP 38 1.671 -6.671 -4.111 244 HB2 TRP 38 1HB TRP 38 -0.981 -7.595 -3.222 245 HB3 TRP 38 2HB TRP 38 -0.794 -5.844 -3.282 246 HD1 TRP 38 HD TRP 38 -0.974 -8.916 -5.528 247 HE1 TRP 38 1HE TRP 38 -1.231 -8.147 -7.971 248 HE3 TRP 38 3HE TRP 38 -0.215 -3.901 -4.884 249 HZ2 TRP 38 2HZ TRP 38 -1.125 -5.733 -9.431 250 HZ3 TRP 38 3HZ TRP 38 -0.309 -2.431 -6.855 251 HH2 TRP 38 HH TRP 38 -0.754 -3.331 -9.081 252 H LEU 39 H LEU 39 2.319 -4.734 -3.366 253 HA LEU 39 HA LEU 39 2.098 -4.255 -0.467 254 HB2 LEU 39 1HB LEU 39 4.330 -3.915 -2.385 255 HB3 LEU 39 2HB LEU 39 4.162 -2.695 -1.125 256 HG LEU 39 HG LEU 39 4.334 -5.635 -0.510 257 HD11 LEU 39 1HD1 LEU 39 6.702 -3.896 -0.157 258 HD12 LEU 39 2HD1 LEU 39 6.331 -4.426 -1.797 259 HD13 LEU 39 3HD1 LEU 39 6.599 -5.618 -0.526 260 HD21 LEU 39 1HD2 LEU 39 5.283 -4.539 1.641 261 HD22 LEU 39 2HD2 LEU 39 3.540 -4.550 1.373 262 HD23 LEU 39 3HD2 LEU 39 4.472 -3.088 1.052 263 H VAL 40 H VAL 40 0.375 -2.918 -0.317 264 HA VAL 40 HA VAL 40 0.229 -0.600 -2.109 265 HB VAL 40 HB VAL 40 -1.851 -1.590 -0.155 266 HG11 VAL 40 1HG1 VAL 40 -1.862 0.529 -2.288 267 HG12 VAL 40 2HG1 VAL 40 -3.345 -0.171 -1.635 268 HG13 VAL 40 3HG1 VAL 40 -2.236 0.699 -0.573 269 HG21 VAL 40 1HG2 VAL 40 -1.453 -2.134 -3.085 270 HG22 VAL 40 2HG2 VAL 40 -1.641 -3.295 -1.770 271 HG23 VAL 40 3HG2 VAL 40 -3.016 -2.322 -2.292 272 H GLU 41 H GLU 41 0.796 1.355 -1.423 273 HA GLU 41 HA GLU 41 1.082 1.786 1.477 274 HB2 GLU 41 1HB GLU 41 3.234 1.997 0.594 275 HB3 GLU 41 2HB GLU 41 2.661 2.781 -0.871 276 HG2 GLU 41 1HG GLU 41 2.025 4.747 0.564 277 HG3 GLU 41 2HG GLU 41 2.899 3.964 1.879 278 H PHE 42 H PHE 42 -0.270 3.181 2.377 279 HA PHE 42 HA PHE 42 -1.910 4.885 0.682 280 HB2 PHE 42 1HB PHE 42 -2.027 4.292 3.646 281 HB3 PHE 42 2HB PHE 42 -3.162 5.334 2.794 282 HD1 PHE 42 1HD PHE 42 -1.995 1.880 3.225 283 HD2 PHE 42 2HD PHE 42 -4.891 4.425 1.423 284 HE1 PHE 42 1HE PHE 42 -3.373 -0.083 2.675 285 HE2 PHE 42 2HE PHE 42 -6.274 2.467 0.871 286 HZ PHE 42 HZ PHE 42 -5.516 0.209 1.498 287 H TYR 43 H TYR 43 -0.804 6.666 0.069 288 HA TYR 43 HA TYR 43 0.523 8.247 2.168 289 HB2 TYR 43 1HB TYR 43 1.920 9.198 0.481 290 HB3 TYR 43 2HB TYR 43 1.911 7.458 0.214 291 HD1 TYR 43 1HD TYR 43 0.452 10.653 -0.981 292 HD2 TYR 43 2HD TYR 43 1.216 6.558 -1.847 293 HE1 TYR 43 1HE TYR 43 -0.247 11.022 -3.311 294 HE2 TYR 43 2HE TYR 43 0.520 6.916 -4.179 295 HH TYR 43 HH TYR 43 -0.723 10.050 -5.266 296 H ALA 44 H ALA 44 0.597 10.696 1.366 297 HA ALA 44 HA ALA 44 -2.051 11.497 0.394 298 HB1 ALA 44 1HB ALA 44 -0.854 12.169 3.048 299 HB2 ALA 44 2HB ALA 44 -1.934 13.314 2.251 300 HB3 ALA 44 3HB ALA 44 -2.505 11.693 2.649 301 HA PRO 45 HA PRO 45 0.643 14.136 -1.979 302 HB2 PRO 45 1HB PRO 45 -1.333 15.352 -3.389 303 HB3 PRO 45 2HB PRO 45 -0.762 13.718 -3.749 304 HG2 PRO 45 1HG PRO 45 -3.176 14.583 -2.205 305 HG3 PRO 45 2HG PRO 45 -3.022 13.292 -3.410 306 HD2 PRO 45 1HD PRO 45 -3.032 12.805 -0.746 307 HD3 PRO 45 2HD PRO 45 -2.109 11.815 -1.894 308 H TRP 46 H TRP 46 -1.255 14.923 0.578 309 HA TRP 46 HA TRP 46 -0.757 17.812 0.267 310 HB2 TRP 46 1HB TRP 46 -2.590 18.124 1.937 311 HB3 TRP 46 2HB TRP 46 -3.126 17.401 0.423 312 HD1 TRP 46 HD TRP 46 -4.525 15.261 0.642 313 HE1 TRP 46 1HE TRP 46 -5.036 13.586 2.528 314 HE3 TRP 46 3HE TRP 46 -1.324 17.050 4.204 315 HZ2 TRP 46 2HZ TRP 46 -4.194 13.090 5.176 316 HZ3 TRP 46 3HZ TRP 46 -1.238 15.918 6.387 317 HH2 TRP 46 HH TRP 46 -2.644 13.980 6.862 318 H CYS 47 H CYS 47 0.070 15.012 1.970 319 HA CYS 47 HA CYS 47 0.862 16.388 4.401 320 HB2 CYS 47 1HB CYS 47 0.003 13.876 4.019 321 HB3 CYS 47 2HB CYS 47 1.734 13.596 3.875 322 HG CYS 47 HG CYS 47 0.081 13.544 6.558 323 H GLY 48 H GLY 48 3.164 15.690 5.221 324 HA2 GLY 48 1HA GLY 48 5.027 16.590 3.141 325 HA3 GLY 48 2HA GLY 48 5.310 16.653 4.874 326 H HIS 49 H HIS 49 5.436 14.453 5.956 327 HA HIS 49 HA HIS 49 7.597 13.033 5.083 328 HB2 HIS 49 1HB HIS 49 6.559 11.089 6.453 329 HB3 HIS 49 2HB HIS 49 6.953 12.592 7.282 330 HD1 HIS 49 1HD HIS 49 5.188 13.158 8.900 331 HD2 HIS 49 2HD HIS 49 3.622 11.383 5.486 332 HE1 HIS 49 1HE HIS 49 2.699 13.095 9.256 333 HE2 HIS 49 2HE HIS 49 1.781 11.940 7.215 334 H CYS 50 H CYS 50 4.292 12.724 4.036 335 HA CYS 50 HA CYS 50 4.539 10.189 2.781 336 HB2 CYS 50 1HB CYS 50 2.584 12.463 2.482 337 HB3 CYS 50 2HB CYS 50 2.474 11.011 1.495 338 HG CYS 50 HG CYS 50 1.576 11.500 4.667 339 H GLN 51 H GLN 51 4.584 13.506 1.484 340 HA GLN 51 HA GLN 51 5.083 12.820 -1.181 341 HB2 GLN 51 1HB GLN 51 5.916 15.317 0.306 342 HB3 GLN 51 2HB GLN 51 5.867 15.141 -1.443 343 HG2 GLN 51 1HG GLN 51 3.498 14.936 -1.436 344 HG3 GLN 51 2HG GLN 51 3.457 14.818 0.322 345 HE21 GLN 51 1HE2 GLN 51 1.892 16.578 0.062 346 HE22 GLN 51 2HE2 GLN 51 2.480 18.200 -0.027 347 H ARG 52 H ARG 52 7.112 12.668 1.553 348 HA ARG 52 HA ARG 52 9.573 12.779 -0.001 349 HB2 ARG 52 1HB ARG 52 9.254 12.177 2.941 350 HB3 ARG 52 2HB ARG 52 10.727 12.649 2.104 351 HG2 ARG 52 1HG ARG 52 9.516 14.820 1.545 352 HG3 ARG 52 2HG ARG 52 8.331 14.328 2.756 353 HD2 ARG 52 1HD ARG 52 10.295 14.053 4.344 354 HD3 ARG 52 2HD ARG 52 11.257 14.905 3.137 355 HE ARG 52 HE ARG 52 9.362 16.048 4.946 356 HH11 ARG 52 2HH1 ARG 52 10.827 16.393 1.807 357 HH12 ARG 52 1HH1 ARG 52 10.571 18.104 1.731 358 HH21 ARG 52 2HH2 ARG 52 9.018 18.301 4.858 359 HH22 ARG 52 1HH2 ARG 52 9.542 19.189 3.468 360 H LEU 53 H LEU 53 7.269 10.522 0.537 361 HA LEU 53 HA LEU 53 9.156 8.280 0.720 362 HB2 LEU 53 1HB LEU 53 7.206 8.417 2.292 363 HB3 LEU 53 2HB LEU 53 6.151 8.193 0.899 364 HG LEU 53 HG LEU 53 7.213 5.986 0.509 365 HD11 LEU 53 1HD1 LEU 53 9.133 6.960 2.299 366 HD12 LEU 53 2HD1 LEU 53 9.058 5.359 1.564 367 HD13 LEU 53 3HD1 LEU 53 8.312 5.643 3.137 368 HD21 LEU 53 1HD2 LEU 53 6.094 4.849 2.339 369 HD22 LEU 53 2HD2 LEU 53 5.116 6.201 1.767 370 HD23 LEU 53 3HD2 LEU 53 6.039 6.350 3.264 371 H THR 54 H THR 54 8.042 10.101 -1.633 372 HA THR 54 HA THR 54 6.814 8.313 -3.449 373 HB THR 54 HB THR 54 8.459 10.511 -4.567 374 HG1 THR 54 1HG THR 54 6.085 11.217 -3.219 375 HG21 THR 54 1HG2 THR 54 6.997 10.224 -6.221 376 HG22 THR 54 2HG2 THR 54 5.676 10.679 -5.144 377 HG23 THR 54 3HG2 THR 54 6.167 8.991 -5.272 378 HA PRO 55 HA PRO 55 11.274 7.862 -5.301 379 HB2 PRO 55 1HB PRO 55 13.331 8.594 -3.688 380 HB3 PRO 55 2HB PRO 55 12.551 9.710 -4.816 381 HG2 PRO 55 1HG PRO 55 12.128 9.390 -1.870 382 HG3 PRO 55 2HG PRO 55 12.263 10.878 -2.826 383 HD2 PRO 55 1HD PRO 55 9.881 9.878 -2.016 384 HD3 PRO 55 2HD PRO 55 10.074 10.766 -3.540 385 H GLU 56 H GLU 56 11.022 7.488 -1.782 386 HA GLU 56 HA GLU 56 12.684 5.204 -1.602 387 HB2 GLU 56 1HB GLU 56 10.467 6.104 0.247 388 HB3 GLU 56 2HB GLU 56 11.703 4.915 0.634 389 HG2 GLU 56 1HG GLU 56 12.338 7.755 -0.111 390 HG3 GLU 56 2HG GLU 56 12.066 7.227 1.549 391 H TRP 57 H TRP 57 9.160 5.590 -1.798 392 HA TRP 57 HA TRP 57 8.580 2.818 -1.686 393 HB2 TRP 57 1HB TRP 57 6.992 4.781 -1.252 394 HB3 TRP 57 2HB TRP 57 6.835 4.893 -3.003 395 HD1 TRP 57 HD TRP 57 4.619 3.832 -3.691 396 HE1 TRP 57 1HE TRP 57 3.295 1.722 -3.042 397 HE3 TRP 57 3HE TRP 57 7.684 2.052 -0.007 398 HZ2 TRP 57 2HZ TRP 57 3.520 -0.413 -1.211 399 HZ3 TRP 57 3HZ TRP 57 7.057 -0.030 1.144 400 HH2 TRP 57 HH TRP 57 5.018 -1.236 0.554 401 H LYS 58 H LYS 58 8.912 5.104 -4.379 402 HA LYS 58 HA LYS 58 8.221 3.409 -6.470 403 HB2 LYS 58 1HB LYS 58 10.008 5.803 -6.254 404 HB3 LYS 58 2HB LYS 58 9.949 4.900 -7.762 405 HG2 LYS 58 1HG LYS 58 7.532 5.263 -7.880 406 HG3 LYS 58 2HG LYS 58 7.602 6.183 -6.376 407 HD2 LYS 58 1HD LYS 58 9.270 7.694 -7.547 408 HD3 LYS 58 2HD LYS 58 8.809 6.880 -9.044 409 HE2 LYS 58 1HE LYS 58 6.511 7.575 -8.754 410 HE3 LYS 58 2HE LYS 58 6.893 8.288 -7.188 411 HZ1 LYS 58 1HZ LYS 58 7.100 10.148 -8.400 412 HZ2 LYS 58 2HZ LYS 58 7.360 9.323 -9.853 413 HZ3 LYS 58 3HZ LYS 58 8.637 9.545 -8.767 414 H LYS 59 H LYS 59 11.419 3.984 -5.028 415 HA LYS 59 HA LYS 59 12.997 2.432 -6.647 416 HB2 LYS 59 1HB LYS 59 13.092 3.095 -3.733 417 HB3 LYS 59 2HB LYS 59 14.228 1.913 -4.370 418 HG2 LYS 59 1HG LYS 59 14.938 3.614 -6.052 419 HG3 LYS 59 2HG LYS 59 13.922 4.786 -5.210 420 HD2 LYS 59 1HD LYS 59 15.909 3.226 -3.631 421 HD3 LYS 59 2HD LYS 59 16.489 4.544 -4.652 422 HE2 LYS 59 1HE LYS 59 14.666 5.953 -3.521 423 HE3 LYS 59 2HE LYS 59 14.592 4.657 -2.328 424 HZ1 LYS 59 1HZ LYS 59 16.086 6.463 -1.668 425 HZ2 LYS 59 2HZ LYS 59 17.044 6.178 -3.033 426 HZ3 LYS 59 3HZ LYS 59 16.911 4.995 -1.831 427 H ALA 60 H ALA 60 11.226 1.330 -3.759 428 HA ALA 60 HA ALA 60 11.945 -1.370 -3.924 429 HB1 ALA 60 1HB ALA 60 10.406 -1.755 -2.255 430 HB2 ALA 60 2HB ALA 60 10.719 -0.031 -2.052 431 HB3 ALA 60 3HB ALA 60 9.263 -0.570 -2.887 432 H ALA 61 H ALA 61 9.401 0.453 -5.515 433 HA ALA 61 HA ALA 61 7.951 -1.771 -6.511 434 HB1 ALA 61 1HB ALA 61 6.733 0.197 -6.511 435 HB2 ALA 61 2HB ALA 61 8.056 1.137 -7.202 436 HB3 ALA 61 3HB ALA 61 7.152 0.011 -8.214 437 H THR 62 H THR 62 10.766 -0.032 -7.625 438 HA THR 62 HA THR 62 10.748 -0.994 -10.298 439 HB THR 62 HB THR 62 13.165 -0.102 -8.720 440 HG1 THR 62 1HG THR 62 11.023 1.320 -9.822 441 HG21 THR 62 1HG2 THR 62 14.158 0.381 -10.819 442 HG22 THR 62 2HG2 THR 62 12.635 0.146 -11.675 443 HG23 THR 62 3HG2 THR 62 13.471 -1.236 -10.966 444 H ALA 63 H ALA 63 12.435 -2.044 -7.354 445 HA ALA 63 HA ALA 63 13.722 -4.251 -8.653 446 HB1 ALA 63 1HB ALA 63 14.923 -3.484 -6.831 447 HB2 ALA 63 2HB ALA 63 13.486 -3.321 -5.821 448 HB3 ALA 63 3HB ALA 63 14.133 -4.921 -6.182 449 H LEU 64 H LEU 64 10.933 -3.889 -6.492 450 HA LEU 64 HA LEU 64 10.335 -6.722 -6.644 451 HB2 LEU 64 1HB LEU 64 8.609 -4.587 -5.425 452 HB3 LEU 64 2HB LEU 64 8.632 -6.311 -5.060 453 HG LEU 64 HG LEU 64 10.989 -4.545 -4.468 454 HD11 LEU 64 1HD1 LEU 64 8.496 -4.960 -2.850 455 HD12 LEU 64 2HD1 LEU 64 9.303 -3.449 -3.267 456 HD13 LEU 64 3HD1 LEU 64 10.040 -4.549 -2.103 457 HD21 LEU 64 1HD2 LEU 64 11.766 -6.634 -4.112 458 HD22 LEU 64 2HD2 LEU 64 10.154 -7.318 -3.906 459 HD23 LEU 64 3HD2 LEU 64 10.922 -6.453 -2.574 460 H LYS 65 H LYS 65 10.096 -4.552 -8.893 461 HA LYS 65 HA LYS 65 7.483 -4.218 -9.690 462 HB2 LYS 65 1HB LYS 65 9.096 -3.102 -10.970 463 HB3 LYS 65 2HB LYS 65 10.035 -4.565 -11.235 464 HG2 LYS 65 1HG LYS 65 8.394 -5.409 -12.770 465 HG3 LYS 65 2HG LYS 65 7.312 -4.060 -12.415 466 HD2 LYS 65 1HD LYS 65 10.075 -3.537 -13.435 467 HD3 LYS 65 2HD LYS 65 8.793 -4.001 -14.556 468 HE2 LYS 65 1HE LYS 65 8.498 -1.738 -12.597 469 HE3 LYS 65 2HE LYS 65 9.167 -1.513 -14.212 470 HZ1 LYS 65 1HZ LYS 65 6.657 -1.153 -13.816 471 HZ2 LYS 65 2HZ LYS 65 6.561 -2.840 -13.875 472 HZ3 LYS 65 3HZ LYS 65 7.158 -1.980 -15.204 473 H ASP 66 H ASP 66 9.616 -6.975 -10.381 474 HA ASP 66 HA ASP 66 7.334 -8.448 -11.476 475 HB2 ASP 66 1HB ASP 66 10.310 -8.798 -11.622 476 HB3 ASP 66 2HB ASP 66 9.248 -10.167 -11.941 477 H VAL 67 H VAL 67 9.254 -8.190 -8.656 478 HA VAL 67 HA VAL 67 8.731 -10.863 -7.694 479 HB VAL 67 HB VAL 67 9.641 -8.649 -5.901 480 HG11 VAL 67 1HG1 VAL 67 11.081 -10.514 -5.038 481 HG12 VAL 67 2HG1 VAL 67 9.344 -10.771 -4.861 482 HG13 VAL 67 3HG1 VAL 67 10.232 -11.592 -6.145 483 HG21 VAL 67 1HG2 VAL 67 11.302 -9.973 -8.039 484 HG22 VAL 67 2HG2 VAL 67 10.969 -8.251 -7.852 485 HG23 VAL 67 3HG2 VAL 67 11.978 -9.087 -6.671 486 H VAL 68 H VAL 68 7.999 -7.694 -6.231 487 HA VAL 68 HA VAL 68 5.384 -8.783 -5.413 488 HB VAL 68 HB VAL 68 7.144 -6.885 -3.854 489 HG11 VAL 68 1HG1 VAL 68 5.021 -7.874 -2.286 490 HG12 VAL 68 2HG1 VAL 68 5.304 -6.213 -2.810 491 HG13 VAL 68 3HG1 VAL 68 4.317 -7.294 -3.794 492 HG21 VAL 68 1HG2 VAL 68 6.405 -9.776 -3.453 493 HG22 VAL 68 2HG2 VAL 68 8.016 -9.084 -3.646 494 HG23 VAL 68 3HG2 VAL 68 7.091 -8.768 -2.178 495 H LYS 69 H LYS 69 3.763 -7.760 -6.363 496 HA LYS 69 HA LYS 69 4.005 -5.430 -7.889 497 HB2 LYS 69 1HB LYS 69 1.603 -6.794 -6.678 498 HB3 LYS 69 2HB LYS 69 1.464 -5.383 -7.720 499 HG2 LYS 69 1HG LYS 69 3.031 -7.704 -8.707 500 HG3 LYS 69 2HG LYS 69 1.271 -7.831 -8.669 501 HD2 LYS 69 1HD LYS 69 1.017 -5.962 -10.107 502 HD3 LYS 69 2HD LYS 69 2.717 -5.516 -9.939 503 HE2 LYS 69 1HE LYS 69 2.359 -6.564 -12.086 504 HE3 LYS 69 2HE LYS 69 3.348 -7.613 -11.072 505 HZ1 LYS 69 1HZ LYS 69 0.748 -8.360 -10.583 506 HZ2 LYS 69 2HZ LYS 69 1.887 -9.205 -11.504 507 HZ3 LYS 69 3HZ LYS 69 0.819 -8.132 -12.258 508 H VAL 70 H VAL 70 4.821 -3.648 -6.908 509 HA VAL 70 HA VAL 70 3.681 -2.748 -4.375 510 HB VAL 70 HB VAL 70 5.960 -1.576 -5.976 511 HG11 VAL 70 1HG1 VAL 70 4.494 -0.265 -4.143 512 HG12 VAL 70 2HG1 VAL 70 5.678 -1.040 -3.088 513 HG13 VAL 70 3HG1 VAL 70 6.216 0.016 -4.395 514 HG21 VAL 70 1HG2 VAL 70 7.157 -2.565 -3.814 515 HG22 VAL 70 2HG2 VAL 70 5.814 -3.703 -3.913 516 HG23 VAL 70 3HG2 VAL 70 6.916 -3.520 -5.277 517 H GLY 71 H GLY 71 1.737 -1.803 -4.719 518 HA2 GLY 71 1HA GLY 71 1.429 0.072 -6.943 519 HA3 GLY 71 2HA GLY 71 0.138 -0.552 -5.926 520 H ALA 72 H ALA 72 -0.606 1.648 -5.766 521 HA ALA 72 HA ALA 72 0.320 2.929 -3.400 522 HB1 ALA 72 1HB ALA 72 0.741 4.504 -5.933 523 HB2 ALA 72 2HB ALA 72 1.146 4.983 -4.284 524 HB3 ALA 72 3HB ALA 72 2.034 3.676 -5.065 525 H VAL 73 H VAL 73 -1.451 3.706 -2.475 526 HA VAL 73 HA VAL 73 -3.644 4.650 -4.206 527 HB VAL 73 HB VAL 73 -3.695 3.012 -1.705 528 HG11 VAL 73 1HG1 VAL 73 -5.181 4.467 -0.831 529 HG12 VAL 73 2HG1 VAL 73 -5.552 5.195 -2.395 530 HG13 VAL 73 3HG1 VAL 73 -6.297 3.663 -1.934 531 HG21 VAL 73 1HG2 VAL 73 -3.918 1.817 -3.761 532 HG22 VAL 73 2HG2 VAL 73 -5.505 1.859 -2.993 533 HG23 VAL 73 3HG2 VAL 73 -5.150 2.936 -4.343 534 H ASN 74 H ASN 74 -4.130 6.729 -4.011 535 HA ASN 74 HA ASN 74 -2.879 8.382 -2.052 536 HB2 ASN 74 1HB ASN 74 -3.308 9.265 -4.265 537 HB3 ASN 74 2HB ASN 74 -5.036 8.978 -4.085 538 HD21 ASN 74 1HD2 ASN 74 -4.867 11.337 -4.737 539 HD22 ASN 74 2HD2 ASN 74 -4.817 12.483 -3.445 540 H ALA 75 H ALA 75 -3.573 7.676 -0.029 541 HA ALA 75 HA ALA 75 -6.034 7.044 0.902 542 HB1 ALA 75 1HB ALA 75 -3.802 8.572 2.184 543 HB2 ALA 75 2HB ALA 75 -5.299 8.256 3.062 544 HB3 ALA 75 3HB ALA 75 -4.325 6.912 2.466 545 H ASP 76 H ASP 76 -4.825 10.312 0.304 546 HA ASP 76 HA ASP 76 -6.979 11.735 1.396 547 HB2 ASP 76 1HB ASP 76 -4.858 12.802 0.788 548 HB3 ASP 76 2HB ASP 76 -5.180 12.493 -0.916 549 H LYS 77 H LYS 77 -6.406 10.639 -1.937 550 HA LYS 77 HA LYS 77 -8.970 11.576 -2.839 551 HB2 LYS 77 1HB LYS 77 -7.213 11.582 -4.449 552 HB3 LYS 77 2HB LYS 77 -6.812 9.902 -4.119 553 HG2 LYS 77 1HG LYS 77 -9.253 9.462 -4.934 554 HG3 LYS 77 2HG LYS 77 -9.061 11.038 -5.707 555 HD2 LYS 77 1HD LYS 77 -6.917 8.991 -6.039 556 HD3 LYS 77 2HD LYS 77 -8.408 8.828 -6.970 557 HE2 LYS 77 1HE LYS 77 -6.763 11.349 -6.901 558 HE3 LYS 77 2HE LYS 77 -6.540 10.081 -8.105 559 HZ1 LYS 77 1HZ LYS 77 -8.443 12.153 -8.068 560 HZ2 LYS 77 2HZ LYS 77 -9.255 10.670 -8.023 561 HZ3 LYS 77 3HZ LYS 77 -8.163 10.998 -9.272 562 H HIS 78 H HIS 78 -7.522 8.318 -2.636 563 HA HIS 78 HA HIS 78 -10.110 7.068 -2.848 564 HB2 HIS 78 1HB HIS 78 -7.438 5.811 -2.194 565 HB3 HIS 78 2HB HIS 78 -8.895 4.967 -2.710 566 HD1 HIS 78 1HD HIS 78 -9.657 6.815 -5.089 567 HD2 HIS 78 2HD HIS 78 -5.845 5.331 -4.362 568 HE1 HIS 78 1HE HIS 78 -8.484 6.857 -7.313 569 HE2 HIS 78 2HE HIS 78 -6.208 5.875 -6.865 570 H GLN 79 H GLN 79 -10.135 8.752 -0.682 571 HA GLN 79 HA GLN 79 -9.413 7.838 1.794 572 HB2 GLN 79 1HB GLN 79 -11.681 9.472 0.784 573 HB3 GLN 79 2HB GLN 79 -11.792 8.875 2.435 574 HG2 GLN 79 1HG GLN 79 -9.336 10.294 1.496 575 HG3 GLN 79 2HG GLN 79 -10.765 11.197 1.995 576 HE21 GLN 79 1HE2 GLN 79 -8.130 9.210 3.010 577 HE22 GLN 79 2HE2 GLN 79 -8.354 9.413 4.711 578 H SER 80 H SER 80 -11.710 6.463 -0.357 579 HA SER 80 HA SER 80 -13.238 5.025 1.576 580 HB2 SER 80 1HB SER 80 -14.147 3.807 -0.342 581 HB3 SER 80 2HB SER 80 -14.101 5.537 -0.683 582 HG SER 80 HG SER 80 -12.064 5.098 -1.772 583 H LEU 81 H LEU 81 -10.536 4.174 -0.561 584 HA LEU 81 HA LEU 81 -10.369 1.465 0.198 585 HB2 LEU 81 1HB LEU 81 -8.261 3.328 -0.881 586 HB3 LEU 81 2HB LEU 81 -8.068 1.583 -0.727 587 HG LEU 81 HG LEU 81 -10.105 2.955 -2.480 588 HD11 LEU 81 1HD1 LEU 81 -8.703 2.217 -4.338 589 HD12 LEU 81 2HD1 LEU 81 -7.508 1.602 -3.196 590 HD13 LEU 81 3HD1 LEU 81 -7.836 3.332 -3.282 591 HD21 LEU 81 1HD2 LEU 81 -9.482 0.221 -3.121 592 HD22 LEU 81 2HD2 LEU 81 -11.045 0.965 -2.780 593 HD23 LEU 81 3HD2 LEU 81 -10.051 0.354 -1.457 594 H GLY 82 H GLY 82 -8.476 4.293 1.264 595 HA2 GLY 82 1HA GLY 82 -6.850 3.020 3.118 596 HA3 GLY 82 2HA GLY 82 -7.356 4.700 3.226 597 H GLY 83 H GLY 83 -9.808 4.851 3.928 598 HA2 GLY 83 1HA GLY 83 -9.941 4.036 6.594 599 HA3 GLY 83 2HA GLY 83 -11.309 4.599 5.645 600 H GLN 84 H GLN 84 -11.428 2.585 3.720 601 HA GLN 84 HA GLN 84 -13.037 0.692 4.902 602 HB2 GLN 84 1HB GLN 84 -13.050 1.026 2.512 603 HB3 GLN 84 2HB GLN 84 -11.386 0.472 2.382 604 HG2 GLN 84 1HG GLN 84 -11.955 -1.740 2.691 605 HG3 GLN 84 2HG GLN 84 -13.471 -1.344 3.500 606 HE21 GLN 84 1HE2 GLN 84 -11.828 -1.477 0.410 607 HE22 GLN 84 2HE2 GLN 84 -13.254 -1.549 -0.561 608 H TYR 85 H TYR 85 -9.634 0.898 4.988 609 HA TYR 85 HA TYR 85 -9.406 -1.898 5.874 610 HB2 TYR 85 1HB TYR 85 -7.442 0.030 4.677 611 HB3 TYR 85 2HB TYR 85 -6.874 -1.335 5.632 612 HD1 TYR 85 1HD TYR 85 -9.310 -0.694 2.863 613 HD2 TYR 85 2HD TYR 85 -6.289 -3.228 4.462 614 HE1 TYR 85 1HE TYR 85 -9.486 -2.143 0.883 615 HE2 TYR 85 2HE TYR 85 -6.456 -4.683 2.486 616 HH TYR 85 HH TYR 85 -7.357 -4.119 -0.144 617 H GLY 86 H GLY 86 -8.704 1.442 6.756 618 HA2 GLY 86 1HA GLY 86 -9.130 1.815 9.221 619 HA3 GLY 86 2HA GLY 86 -7.979 0.508 9.463 620 H VAL 87 H VAL 87 -7.574 2.889 6.942 621 HA VAL 87 HA VAL 87 -5.039 3.682 8.103 622 HB VAL 87 HB VAL 87 -6.341 4.564 5.523 623 HG11 VAL 87 1HG1 VAL 87 -3.425 4.733 5.847 624 HG12 VAL 87 2HG1 VAL 87 -4.551 5.856 5.084 625 HG13 VAL 87 3HG1 VAL 87 -4.356 5.855 6.838 626 HG21 VAL 87 1HG2 VAL 87 -5.782 2.557 4.748 627 HG22 VAL 87 2HG2 VAL 87 -4.091 2.985 5.006 628 HG23 VAL 87 3HG2 VAL 87 -4.988 2.134 6.264 629 H GLN 88 H GLN 88 -4.911 5.291 9.511 630 HA GLN 88 HA GLN 88 -6.727 7.588 9.191 631 HB2 GLN 88 1HB GLN 88 -5.778 6.292 11.749 632 HB3 GLN 88 2HB GLN 88 -6.600 7.845 11.684 633 HG2 GLN 88 1HG GLN 88 -8.528 6.706 10.601 634 HG3 GLN 88 2HG GLN 88 -7.708 5.169 10.876 635 HE21 GLN 88 1HE2 GLN 88 -10.079 5.276 11.935 636 HE22 GLN 88 2HE2 GLN 88 -10.036 5.540 13.642 637 H GLY 89 H GLY 89 -3.520 6.421 9.853 638 HA2 GLY 89 1HA GLY 89 -2.548 9.202 9.690 639 HA3 GLY 89 2HA GLY 89 -1.896 8.090 10.885 640 H PHE 90 H PHE 90 -1.477 9.368 7.835 641 HA PHE 90 HA PHE 90 0.010 7.067 6.816 642 HB2 PHE 90 1HB PHE 90 0.011 9.539 5.221 643 HB3 PHE 90 2HB PHE 90 -0.355 7.885 4.739 644 HD1 PHE 90 2HD PHE 90 -2.595 7.271 6.573 645 HD2 PHE 90 1HD PHE 90 -1.734 10.772 4.310 646 HE1 PHE 90 2HE PHE 90 -4.993 7.820 6.516 647 HE2 PHE 90 1HE PHE 90 -4.130 11.327 4.251 648 HZ PHE 90 HZ PHE 90 -5.764 9.850 5.353 649 HA PRO 91 HA PRO 91 1.460 7.335 4.774 650 HB2 PRO 91 1HB PRO 91 3.779 5.927 4.673 651 HB3 PRO 91 2HB PRO 91 3.609 7.550 3.992 652 HG2 PRO 91 1HG PRO 91 4.786 6.708 6.613 653 HG3 PRO 91 2HG PRO 91 5.386 7.905 5.450 654 HD2 PRO 91 1HD PRO 91 4.041 8.602 7.694 655 HD3 PRO 91 2HD PRO 91 3.935 9.536 6.188 656 H THR 92 H THR 92 0.809 5.198 4.555 657 HA THR 92 HA THR 92 1.229 3.406 6.839 658 HB THR 92 HB THR 92 -1.470 4.029 5.625 659 HG1 THR 92 1HG THR 92 -1.553 5.384 7.238 660 HG21 THR 92 1HG2 THR 92 -0.781 1.576 6.398 661 HG22 THR 92 2HG2 THR 92 -2.385 2.240 6.709 662 HG23 THR 92 3HG2 THR 92 -1.165 2.248 7.982 663 H ILE 93 H ILE 93 2.355 1.820 5.881 664 HA ILE 93 HA ILE 93 1.644 0.918 3.206 665 HB ILE 93 HB ILE 93 3.887 0.086 5.047 666 HG12 ILE 93 1HG1 ILE 93 4.249 1.443 2.407 667 HG13 ILE 93 2HG1 ILE 93 3.764 2.409 3.796 668 HG21 ILE 93 1HG2 ILE 93 3.708 -1.816 3.813 669 HG22 ILE 93 2HG2 ILE 93 2.938 -0.996 2.455 670 HG23 ILE 93 3HG2 ILE 93 4.680 -0.859 2.695 671 HD11 ILE 93 1HD1 ILE 93 6.284 0.836 3.409 672 HD12 ILE 93 2HD1 ILE 93 6.094 2.564 3.711 673 HD13 ILE 93 3HD1 ILE 93 5.761 1.402 4.995 674 H LYS 94 H LYS 94 0.898 -1.115 2.697 675 HA LYS 94 HA LYS 94 0.232 -2.908 4.927 676 HB2 LYS 94 1HB LYS 94 -1.623 -1.924 2.763 677 HB3 LYS 94 2HB LYS 94 -1.950 -3.379 3.694 678 HG2 LYS 94 1HG LYS 94 -1.451 -0.737 5.021 679 HG3 LYS 94 2HG LYS 94 -3.053 -1.214 4.454 680 HD2 LYS 94 1HD LYS 94 -2.687 -3.355 5.815 681 HD3 LYS 94 2HD LYS 94 -1.358 -2.484 6.584 682 HE2 LYS 94 1HE LYS 94 -3.085 -0.640 7.024 683 HE3 LYS 94 2HE LYS 94 -4.294 -1.860 6.632 684 HZ1 LYS 94 1HZ LYS 94 -2.833 -1.502 9.035 685 HZ2 LYS 94 2HZ LYS 94 -2.574 -3.056 8.422 686 HZ3 LYS 94 3HZ LYS 94 -4.148 -2.520 8.728 687 H ILE 95 H ILE 95 0.555 -5.031 4.535 688 HA ILE 95 HA ILE 95 1.605 -5.741 1.889 689 HB ILE 95 HB ILE 95 1.883 -7.113 4.563 690 HG12 ILE 95 1HG1 ILE 95 4.122 -6.120 2.831 691 HG13 ILE 95 2HG1 ILE 95 3.243 -4.993 3.858 692 HG21 ILE 95 1HG2 ILE 95 2.245 -9.014 3.475 693 HG22 ILE 95 2HG2 ILE 95 2.066 -8.207 1.918 694 HG23 ILE 95 3HG2 ILE 95 3.642 -8.261 2.707 695 HD11 ILE 95 1HD1 ILE 95 3.904 -7.211 5.458 696 HD12 ILE 95 2HD1 ILE 95 5.348 -6.778 4.542 697 HD13 ILE 95 3HD1 ILE 95 4.543 -5.570 5.544 698 H PHE 96 H PHE 96 0.604 -7.157 0.590 699 HA PHE 96 HA PHE 96 -1.798 -8.503 1.637 700 HB2 PHE 96 1HB PHE 96 -1.190 -7.338 -1.072 701 HB3 PHE 96 2HB PHE 96 -2.469 -8.527 -0.849 702 HD1 PHE 96 1HD PHE 96 -1.291 -5.222 0.372 703 HD2 PHE 96 2HD PHE 96 -4.590 -7.851 -0.196 704 HE1 PHE 96 1HE PHE 96 -2.834 -3.426 1.041 705 HE2 PHE 96 2HE PHE 96 -6.138 -6.060 0.471 706 HZ PHE 96 HZ PHE 96 -5.261 -3.843 1.090 707 H GLY 97 H GLY 97 -1.766 -10.651 1.693 708 HA2 GLY 97 1HA GLY 97 -0.476 -12.209 -0.353 709 HA3 GLY 97 2HA GLY 97 0.372 -12.262 1.186 710 H ALA 98 H ALA 98 -0.634 -13.236 2.985 711 HA ALA 98 HA ALA 98 -1.979 -15.589 2.542 712 HB1 ALA 98 1HB ALA 98 -0.964 -14.319 4.743 713 HB2 ALA 98 2HB ALA 98 -2.692 -14.365 5.096 714 HB3 ALA 98 3HB ALA 98 -1.821 -15.861 4.756 715 H ASN 99 H ASN 99 -3.525 -12.719 3.999 716 HA ASN 99 HA ASN 99 -6.062 -13.599 2.789 717 HB2 ASN 99 1HB ASN 99 -5.863 -13.532 5.334 718 HB3 ASN 99 2HB ASN 99 -5.803 -11.778 5.180 719 HD21 ASN 99 1HD2 ASN 99 -7.731 -11.775 6.461 720 HD22 ASN 99 2HD2 ASN 99 -9.263 -12.064 5.716 721 H LYS 100 H LYS 100 -6.125 -12.493 0.898 722 HA LYS 100 HA LYS 100 -5.165 -9.917 0.426 723 HB2 LYS 100 1HB LYS 100 -7.206 -11.649 -0.922 724 HB3 LYS 100 2HB LYS 100 -6.987 -9.986 -1.453 725 HG2 LYS 100 1HG LYS 100 -4.865 -12.122 -1.379 726 HG3 LYS 100 2HG LYS 100 -5.683 -11.505 -2.816 727 HD2 LYS 100 1HD LYS 100 -4.792 -9.217 -2.150 728 HD3 LYS 100 2HD LYS 100 -3.757 -10.071 -1.003 729 HE2 LYS 100 1HE LYS 100 -3.835 -10.572 -3.977 730 HE3 LYS 100 2HE LYS 100 -2.630 -9.585 -3.149 731 HZ1 LYS 100 1HZ LYS 100 -1.916 -11.516 -1.917 732 HZ2 LYS 100 2HZ LYS 100 -1.846 -11.845 -3.575 733 HZ3 LYS 100 3HZ LYS 100 -3.109 -12.472 -2.641 734 H ASN 101 H ASN 101 -7.935 -10.944 2.140 735 HA ASN 101 HA ASN 101 -9.399 -8.470 1.801 736 HB2 ASN 101 1HB ASN 101 -9.868 -11.058 3.205 737 HB3 ASN 101 2HB ASN 101 -10.737 -9.640 3.784 738 HD21 ASN 101 1HD2 ASN 101 -10.647 -12.116 1.513 739 HD22 ASN 101 2HD2 ASN 101 -11.918 -11.561 0.484 740 H LYS 102 H LYS 102 -7.145 -9.870 4.039 741 HA LYS 102 HA LYS 102 -7.214 -7.385 5.601 742 HB2 LYS 102 1HB LYS 102 -6.827 -10.079 6.896 743 HB3 LYS 102 2HB LYS 102 -7.107 -8.530 7.680 744 HG2 LYS 102 1HG LYS 102 -9.381 -8.487 6.805 745 HG3 LYS 102 2HG LYS 102 -9.103 -10.031 5.996 746 HD2 LYS 102 1HD LYS 102 -8.462 -10.846 8.391 747 HD3 LYS 102 2HD LYS 102 -9.388 -9.437 8.913 748 HE2 LYS 102 1HE LYS 102 -11.372 -10.289 8.145 749 HE3 LYS 102 2HE LYS 102 -10.596 -11.261 6.896 750 HZ1 LYS 102 1HZ LYS 102 -11.288 -11.968 9.580 751 HZ2 LYS 102 2HZ LYS 102 -9.670 -12.317 9.231 752 HZ3 LYS 102 3HZ LYS 102 -10.902 -12.966 8.269 753 HA PRO 103 HA PRO 103 -2.916 -8.027 4.267 754 HB2 PRO 103 1HB PRO 103 -2.256 -5.399 4.440 755 HB3 PRO 103 2HB PRO 103 -3.082 -6.092 3.039 756 HG2 PRO 103 1HG PRO 103 -4.224 -4.568 5.349 757 HG3 PRO 103 2HG PRO 103 -4.598 -4.428 3.622 758 HD2 PRO 103 1HD PRO 103 -6.177 -5.791 5.348 759 HD3 PRO 103 2HD PRO 103 -5.994 -6.262 3.647 760 H GLU 104 H GLU 104 -0.830 -7.141 5.291 761 HA GLU 104 HA GLU 104 -1.139 -7.248 8.215 762 HB2 GLU 104 1HB GLU 104 1.316 -7.908 6.580 763 HB3 GLU 104 2HB GLU 104 1.107 -8.154 8.308 764 HG2 GLU 104 1HG GLU 104 -0.533 -9.852 7.937 765 HG3 GLU 104 2HG GLU 104 -0.556 -9.517 6.207 766 H ASP 105 H ASP 105 -0.142 -5.759 9.518 767 HA ASP 105 HA ASP 105 0.362 -3.195 8.410 768 HB2 ASP 105 1HB ASP 105 0.919 -4.253 11.190 769 HB3 ASP 105 2HB ASP 105 0.961 -2.555 10.722 770 H TYR 106 H TYR 106 2.100 -2.888 7.159 771 HA TYR 106 HA TYR 106 4.545 -4.281 7.429 772 HB2 TYR 106 1HB TYR 106 3.765 -3.252 5.312 773 HB3 TYR 106 2HB TYR 106 4.025 -1.658 6.012 774 HD1 TYR 106 2HD TYR 106 6.227 -4.614 6.406 775 HD2 TYR 106 1HD TYR 106 5.686 -0.819 4.560 776 HE1 TYR 106 2HE TYR 106 8.562 -4.663 5.634 777 HE2 TYR 106 1HE TYR 106 8.019 -0.858 3.783 778 HH TYR 106 HH TYR 106 10.273 -2.227 4.794 779 H GLN 107 H GLN 107 5.981 -4.049 8.998 780 HA GLN 107 HA GLN 107 6.223 -1.440 10.331 781 HB2 GLN 107 1HB GLN 107 6.932 -4.224 11.260 782 HB3 GLN 107 2HB GLN 107 7.367 -2.767 12.143 783 HG2 GLN 107 1HG GLN 107 5.178 -2.301 12.717 784 HG3 GLN 107 2HG GLN 107 4.520 -3.278 11.406 785 HE21 GLN 107 1HE2 GLN 107 3.156 -4.204 13.046 786 HE22 GLN 107 2HE2 GLN 107 3.761 -5.475 14.048 787 H GLY 108 H GLY 108 7.864 -3.705 8.338 788 HA2 GLY 108 1HA GLY 108 10.532 -3.303 8.908 789 HA3 GLY 108 2HA GLY 108 9.906 -3.587 7.290 790 H GLY 109 H GLY 109 12.035 -2.137 7.202 791 HA2 GLY 109 1HA GLY 109 11.789 0.630 7.709 792 HA3 GLY 109 2HA GLY 109 12.941 -0.112 6.609 793 H ARG 110 H ARG 110 11.174 2.341 6.464 794 HA ARG 110 HA ARG 110 9.500 1.694 4.161 795 HB2 ARG 110 1HB ARG 110 9.842 4.282 5.688 796 HB3 ARG 110 2HB ARG 110 8.705 4.025 4.371 797 HG2 ARG 110 1HG ARG 110 7.896 2.046 5.913 798 HG3 ARG 110 2HG ARG 110 8.621 3.047 7.172 799 HD2 ARG 110 1HD ARG 110 6.828 4.367 5.208 800 HD3 ARG 110 2HD ARG 110 6.089 3.324 6.422 801 HE ARG 110 HE ARG 110 6.653 4.855 8.055 802 HH11 ARG 110 2HH1 ARG 110 8.150 5.712 5.031 803 HH12 ARG 110 1HH1 ARG 110 8.633 7.287 5.567 804 HH21 ARG 110 2HH2 ARG 110 7.284 6.927 8.772 805 HH22 ARG 110 1HH2 ARG 110 8.141 7.977 7.695 806 H THR 111 H THR 111 12.376 1.545 3.916 807 HA THR 111 HA THR 111 12.920 3.796 2.099 808 HB THR 111 HB THR 111 15.335 2.914 2.267 809 HG1 THR 111 1HG THR 111 14.289 1.002 3.563 810 HG21 THR 111 1HG2 THR 111 13.955 4.174 4.638 811 HG22 THR 111 2HG2 THR 111 14.685 5.010 3.268 812 HG23 THR 111 3HG2 THR 111 15.702 4.128 4.406 813 H GLY 112 H GLY 112 13.455 3.442 -0.014 814 HA2 GLY 112 1HA GLY 112 12.443 1.452 -1.503 815 HA3 GLY 112 2HA GLY 112 13.942 2.254 -1.949 816 H GLU 113 H GLU 113 15.426 1.234 0.338 817 HA GLU 113 HA GLU 113 16.217 -1.274 -0.805 818 HB2 GLU 113 1HB GLU 113 17.243 -0.437 1.857 819 HB3 GLU 113 2HB GLU 113 18.107 -1.102 0.477 820 HG2 GLU 113 1HG GLU 113 17.476 1.225 -0.593 821 HG3 GLU 113 2HG GLU 113 17.398 1.710 1.100 822 H ALA 114 H ALA 114 15.175 -0.382 2.491 823 HA ALA 114 HA ALA 114 14.888 -2.899 3.553 824 HB1 ALA 114 1HB ALA 114 13.031 -0.590 4.107 825 HB2 ALA 114 2HB ALA 114 13.400 -1.944 5.176 826 HB3 ALA 114 3HB ALA 114 14.648 -0.758 4.792 827 H ILE 115 H ILE 115 12.358 -1.014 1.892 828 HA ILE 115 HA ILE 115 10.258 -2.763 2.032 829 HB ILE 115 HB ILE 115 11.010 -1.129 -0.395 830 HG12 ILE 115 1HG1 ILE 115 8.990 -0.258 1.624 831 HG13 ILE 115 2HG1 ILE 115 10.695 -0.077 2.022 832 HG21 ILE 115 1HG2 ILE 115 9.296 -2.855 -0.813 833 HG22 ILE 115 2HG2 ILE 115 8.313 -2.158 0.474 834 HG23 ILE 115 3HG2 ILE 115 8.666 -1.215 -0.974 835 HD11 ILE 115 1HD1 ILE 115 9.690 1.947 1.041 836 HD12 ILE 115 2HD1 ILE 115 11.042 1.319 0.099 837 HD13 ILE 115 3HD1 ILE 115 9.387 1.045 -0.443 838 H VAL 116 H VAL 116 12.906 -2.798 -0.329 839 HA VAL 116 HA VAL 116 12.006 -4.874 -1.949 840 HB VAL 116 HB VAL 116 14.800 -3.999 -1.241 841 HG11 VAL 116 1HG1 VAL 116 13.891 -6.350 -2.776 842 HG12 VAL 116 2HG1 VAL 116 15.164 -5.379 -3.518 843 HG13 VAL 116 3HG1 VAL 116 15.403 -6.071 -1.913 844 HG21 VAL 116 1HG2 VAL 116 14.792 -2.900 -3.329 845 HG22 VAL 116 2HG2 VAL 116 13.341 -3.750 -3.860 846 HG23 VAL 116 3HG2 VAL 116 13.233 -2.528 -2.592 847 H ASP 117 H ASP 117 14.027 -5.012 0.969 848 HA ASP 117 HA ASP 117 14.331 -7.832 0.947 849 HB2 ASP 117 1HB ASP 117 15.681 -5.996 2.226 850 HB3 ASP 117 2HB ASP 117 14.454 -6.215 3.471 851 H ALA 118 H ALA 118 11.957 -5.658 2.338 852 HA ALA 118 HA ALA 118 10.688 -7.552 4.021 853 HB1 ALA 118 1HB ALA 118 10.021 -4.852 2.979 854 HB2 ALA 118 2HB ALA 118 8.713 -5.831 3.644 855 HB3 ALA 118 3HB ALA 118 10.112 -5.435 4.641 856 H ALA 119 H ALA 119 9.858 -6.323 0.782 857 HA ALA 119 HA ALA 119 7.562 -7.823 0.352 858 HB1 ALA 119 1HB ALA 119 9.021 -6.029 -1.113 859 HB2 ALA 119 2HB ALA 119 9.212 -7.520 -2.036 860 HB3 ALA 119 3HB ALA 119 7.599 -6.902 -1.684 861 H LEU 120 H LEU 120 10.948 -8.681 -0.222 862 HA LEU 120 HA LEU 120 10.461 -11.154 -1.484 863 HB2 LEU 120 1HB LEU 120 12.833 -10.207 0.116 864 HB3 LEU 120 2HB LEU 120 12.804 -11.679 -0.852 865 HG LEU 120 HG LEU 120 12.202 -9.077 -2.177 866 HD11 LEU 120 1HD1 LEU 120 14.606 -9.562 -0.736 867 HD12 LEU 120 2HD1 LEU 120 14.187 -8.189 -1.760 868 HD13 LEU 120 3HD1 LEU 120 14.964 -9.607 -2.463 869 HD21 LEU 120 1HD2 LEU 120 13.668 -11.561 -3.060 870 HD22 LEU 120 2HD2 LEU 120 13.231 -10.185 -4.074 871 HD23 LEU 120 3HD2 LEU 120 11.970 -11.207 -3.382 872 H SER 121 H SER 121 11.523 -10.514 1.864 873 HA SER 121 HA SER 121 11.454 -13.010 2.921 874 HB2 SER 121 1HB SER 121 11.885 -10.695 4.053 875 HB3 SER 121 2HB SER 121 10.176 -10.782 4.478 876 HG SER 121 HG SER 121 11.733 -13.035 4.981 877 H ALA 122 H ALA 122 8.655 -10.892 2.435 878 HA ALA 122 HA ALA 122 6.760 -12.684 3.561 879 HB1 ALA 122 1HB ALA 122 5.115 -11.222 2.255 880 HB2 ALA 122 2HB ALA 122 6.093 -10.445 3.501 881 HB3 ALA 122 3HB ALA 122 6.526 -10.266 1.801 882 H LEU 123 H LEU 123 7.763 -11.989 0.228 883 HA LEU 123 HA LEU 123 5.974 -13.513 -1.185 884 HB2 LEU 123 1HB LEU 123 7.914 -12.058 -2.011 885 HB3 LEU 123 2HB LEU 123 8.901 -13.509 -1.847 886 HG LEU 123 HG LEU 123 8.271 -13.297 -4.136 887 HD11 LEU 123 1HD1 LEU 123 7.288 -15.400 -4.531 888 HD12 LEU 123 2HD1 LEU 123 6.405 -15.364 -3.005 889 HD13 LEU 123 3HD1 LEU 123 8.158 -15.560 -3.005 890 HD21 LEU 123 1HD2 LEU 123 6.448 -11.910 -4.285 891 HD22 LEU 123 2HD2 LEU 123 5.572 -12.739 -2.998 892 HD23 LEU 123 3HD2 LEU 123 5.697 -13.475 -4.596 893 H ARG 124 H ARG 124 9.122 -14.640 0.060 894 HA ARG 124 HA ARG 124 9.086 -17.251 -0.691 895 HB2 ARG 124 1HB ARG 124 9.907 -16.276 2.051 896 HB3 ARG 124 2HB ARG 124 10.446 -17.755 1.266 897 HG2 ARG 124 1HG ARG 124 11.241 -16.063 -0.596 898 HG3 ARG 124 2HG ARG 124 11.237 -14.940 0.764 899 HD2 ARG 124 1HD ARG 124 13.429 -15.930 0.529 900 HD3 ARG 124 2HD ARG 124 12.676 -16.497 2.019 901 HE ARG 124 HE ARG 124 12.056 -18.394 0.143 902 HH11 ARG 124 2HH1 ARG 124 14.988 -16.998 1.399 903 HH12 ARG 124 1HH1 ARG 124 15.931 -18.430 1.149 904 HH21 ARG 124 2HH2 ARG 124 13.287 -20.285 -0.191 905 HH22 ARG 124 1HH2 ARG 124 14.963 -20.299 0.244 906 H SER 125 H SER 125 7.642 -16.006 2.322 907 HA SER 125 HA SER 125 6.611 -18.268 3.409 908 HB2 SER 125 1HB SER 125 6.348 -16.096 4.475 909 HB3 SER 125 2HB SER 125 5.236 -15.578 3.208 910 HG SER 125 HG SER 125 3.772 -16.348 4.504 911 H GLY 126 H GLY 126 5.396 -16.549 0.600 912 HA2 GLY 126 1HA GLY 126 3.053 -18.264 0.410 913 HA3 GLY 126 2HA GLY 126 3.471 -16.944 -0.672 914 HA PRO 127 HA PRO 127 4.791 -21.301 -2.245 915 HB2 PRO 127 1HB PRO 127 2.553 -22.082 -3.568 916 HB3 PRO 127 2HB PRO 127 2.871 -22.510 -1.883 917 HG2 PRO 127 1HG PRO 127 1.137 -20.336 -2.991 918 HG3 PRO 127 2HG PRO 127 0.813 -21.452 -1.651 919 HD2 PRO 127 1HD PRO 127 1.621 -18.898 -1.256 920 HD3 PRO 127 2HD PRO 127 2.063 -20.221 -0.157 921 H SER 128 H SER 128 2.751 -18.784 -3.646 922 HA SER 128 HA SER 128 3.121 -19.159 -6.333 923 HB2 SER 128 1HB SER 128 1.883 -17.265 -4.972 924 HB3 SER 128 2HB SER 128 3.377 -16.375 -5.265 925 HG SER 128 HG SER 128 2.200 -17.683 -7.429 926 H SER 129 H SER 129 5.049 -19.836 -7.106 927 HA SER 129 HA SER 129 7.562 -18.850 -6.253 928 HB2 SER 129 1HB SER 129 8.442 -20.042 -8.264 929 HB3 SER 129 2HB SER 129 7.396 -21.047 -7.262 930 HG SER 129 HG SER 129 5.729 -20.054 -8.880 931 H GLY 130 H GLY 130 9.145 -17.757 -7.684 932 HA2 GLY 130 1HA GLY 130 9.531 -16.333 -9.608 933 HA3 GLY 130 2HA GLY 130 7.851 -15.827 -9.503 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -23.070 0.117 -22.633 2 HA2 GLY 1 1HA GLY 1 -24.204 2.669 -21.859 3 HA3 GLY 1 2HA GLY 1 -25.174 1.272 -21.417 4 H SER 2 H SER 2 -21.700 2.084 -21.340 5 HA SER 2 HA SER 2 -21.672 1.179 -18.534 6 HB2 SER 2 1HB SER 2 -19.382 0.438 -18.857 7 HB3 SER 2 2HB SER 2 -20.405 -0.297 -20.091 8 HG SER 2 HG SER 2 -19.209 2.139 -20.713 9 H SER 3 H SER 3 -19.922 2.175 -17.211 10 HA SER 3 HA SER 3 -19.335 4.934 -18.050 11 HB2 SER 3 1HB SER 3 -21.266 4.790 -16.420 12 HB3 SER 3 2HB SER 3 -20.121 4.167 -15.233 13 HG SER 3 HG SER 3 -19.435 6.519 -16.556 14 H GLY 4 H GLY 4 -17.193 4.570 -18.495 15 HA2 GLY 4 1HA GLY 4 -15.518 3.961 -16.152 16 HA3 GLY 4 2HA GLY 4 -15.230 3.121 -17.668 17 H SER 5 H SER 5 -13.346 3.881 -18.400 18 HA SER 5 HA SER 5 -11.735 5.313 -19.129 19 HB2 SER 5 1HB SER 5 -13.705 5.952 -20.609 20 HB3 SER 5 2HB SER 5 -13.957 7.320 -19.525 21 HG SER 5 HG SER 5 -12.430 7.355 -21.557 22 H SER 6 H SER 6 -12.014 5.237 -16.381 23 HA SER 6 HA SER 6 -12.319 7.706 -15.103 24 HB2 SER 6 1HB SER 6 -11.109 6.703 -13.232 25 HB3 SER 6 2HB SER 6 -12.238 5.535 -13.917 26 HG SER 6 HG SER 6 -10.416 4.696 -15.115 27 H GLY 7 H GLY 7 -11.159 9.506 -15.201 28 HA2 GLY 7 1HA GLY 7 -8.299 9.285 -15.910 29 HA3 GLY 7 2HA GLY 7 -9.335 10.527 -16.597 30 H ALA 8 H ALA 8 -7.035 9.980 -14.332 31 HA ALA 8 HA ALA 8 -7.828 12.373 -12.833 32 HB1 ALA 8 1HB ALA 8 -6.509 10.754 -10.972 33 HB2 ALA 8 2HB ALA 8 -8.215 11.201 -10.988 34 HB3 ALA 8 3HB ALA 8 -7.688 9.708 -11.765 35 H VAL 9 H VAL 9 -6.252 13.830 -12.830 36 HA VAL 9 HA VAL 9 -3.630 13.142 -13.814 37 HB VAL 9 HB VAL 9 -4.716 15.787 -12.837 38 HG11 VAL 9 1HG1 VAL 9 -2.210 15.254 -14.425 39 HG12 VAL 9 2HG1 VAL 9 -2.781 16.810 -13.819 40 HG13 VAL 9 3HG1 VAL 9 -2.242 15.567 -12.690 41 HG21 VAL 9 1HG2 VAL 9 -5.105 14.328 -15.266 42 HG22 VAL 9 2HG2 VAL 9 -5.764 15.894 -14.793 43 HG23 VAL 9 3HG2 VAL 9 -4.202 15.805 -15.606 44 H SER 10 H SER 10 -4.935 14.513 -10.799 45 HA SER 10 HA SER 10 -2.676 14.884 -9.333 46 HB2 SER 10 1HB SER 10 -5.336 13.761 -8.441 47 HB3 SER 10 2HB SER 10 -4.061 14.227 -7.315 48 HG SER 10 HG SER 10 -5.412 15.974 -7.567 49 H GLY 11 H GLY 11 -1.194 13.674 -8.253 50 HA2 GLY 11 1HA GLY 11 -1.213 11.209 -7.224 51 HA3 GLY 11 2HA GLY 11 -1.086 10.849 -8.939 52 H LEU 12 H LEU 12 0.567 11.884 -6.115 53 HA LEU 12 HA LEU 12 2.806 13.163 -6.931 54 HB2 LEU 12 1HB LEU 12 2.860 10.792 -5.073 55 HB3 LEU 12 2HB LEU 12 4.000 12.135 -5.115 56 HG LEU 12 HG LEU 12 1.091 12.394 -4.360 57 HD11 LEU 12 1HD1 LEU 12 3.430 12.483 -2.482 58 HD12 LEU 12 2HD1 LEU 12 2.551 10.992 -2.816 59 HD13 LEU 12 3HD1 LEU 12 1.712 12.368 -2.101 60 HD21 LEU 12 1HD2 LEU 12 2.107 14.544 -3.331 61 HD22 LEU 12 2HD2 LEU 12 1.757 14.498 -5.059 62 HD23 LEU 12 3HD2 LEU 12 3.412 14.278 -4.488 63 H TYR 13 H TYR 13 2.253 9.664 -7.167 64 HA TYR 13 HA TYR 13 4.768 9.220 -8.502 65 HB2 TYR 13 1HB TYR 13 2.416 7.354 -8.126 66 HB3 TYR 13 2HB TYR 13 4.024 6.890 -8.672 67 HD1 TYR 13 2HD TYR 13 2.107 8.183 -5.784 68 HD2 TYR 13 1HD TYR 13 5.774 6.490 -7.123 69 HE1 TYR 13 2HE TYR 13 2.791 7.831 -3.448 70 HE2 TYR 13 1HE TYR 13 6.467 6.132 -4.790 71 HH TYR 13 HH TYR 13 6.004 6.615 -2.637 72 H SER 14 H SER 14 5.005 8.424 -10.649 73 HA SER 14 HA SER 14 2.797 9.180 -12.450 74 HB2 SER 14 1HB SER 14 5.774 9.532 -12.868 75 HB3 SER 14 2HB SER 14 4.555 9.806 -14.113 76 HG SER 14 HG SER 14 5.039 11.252 -11.746 77 H SER 15 H SER 15 3.591 8.256 -14.807 78 HA SER 15 HA SER 15 3.308 5.419 -14.517 79 HB2 SER 15 1HB SER 15 3.248 5.391 -16.975 80 HB3 SER 15 2HB SER 15 2.178 6.636 -16.331 81 HG SER 15 HG SER 15 3.301 7.651 -17.896 82 H SER 16 H SER 16 5.796 7.491 -16.008 83 HA SER 16 HA SER 16 7.644 5.788 -16.892 84 HB2 SER 16 1HB SER 16 8.140 8.127 -16.911 85 HB3 SER 16 2HB SER 16 8.119 8.211 -15.150 86 HG SER 16 HG SER 16 10.029 6.944 -16.814 87 H ASP 17 H ASP 17 7.171 6.527 -13.456 88 HA ASP 17 HA ASP 17 9.242 4.984 -12.412 89 HB2 ASP 17 1HB ASP 17 6.607 5.184 -10.995 90 HB3 ASP 17 2HB ASP 17 8.235 5.259 -10.328 91 H ASP 18 H ASP 18 8.425 3.089 -10.753 92 HA ASP 18 HA ASP 18 7.233 1.057 -12.521 93 HB2 ASP 18 1HB ASP 18 9.129 0.605 -10.208 94 HB3 ASP 18 2HB ASP 18 8.548 -0.608 -11.346 95 H VAL 19 H VAL 19 5.861 2.926 -10.665 96 HA VAL 19 HA VAL 19 4.759 1.025 -8.712 97 HB VAL 19 HB VAL 19 4.534 4.035 -8.835 98 HG11 VAL 19 1HG1 VAL 19 3.725 2.862 -6.340 99 HG12 VAL 19 2HG1 VAL 19 2.833 3.947 -7.407 100 HG13 VAL 19 3HG1 VAL 19 2.766 2.203 -7.665 101 HG21 VAL 19 1HG2 VAL 19 6.717 3.395 -8.119 102 HG22 VAL 19 2HG2 VAL 19 5.814 3.881 -6.685 103 HG23 VAL 19 3HG2 VAL 19 6.066 2.170 -7.030 104 H ILE 20 H ILE 20 2.688 0.361 -8.812 105 HA ILE 20 HA ILE 20 1.150 1.117 -11.168 106 HB ILE 20 HB ILE 20 0.703 -1.047 -9.112 107 HG12 ILE 20 1HG1 ILE 20 1.351 -1.343 -12.043 108 HG13 ILE 20 2HG1 ILE 20 2.603 -1.248 -10.809 109 HG21 ILE 20 1HG2 ILE 20 -1.017 -1.847 -10.797 110 HG22 ILE 20 2HG2 ILE 20 -1.452 -0.435 -9.835 111 HG23 ILE 20 3HG2 ILE 20 -0.922 -0.234 -11.505 112 HD11 ILE 20 1HD1 ILE 20 0.500 -3.364 -11.137 113 HD12 ILE 20 2HD1 ILE 20 2.250 -3.536 -11.273 114 HD13 ILE 20 3HD1 ILE 20 1.514 -3.217 -9.703 115 H GLU 21 H GLU 21 -0.334 2.657 -11.074 116 HA GLU 21 HA GLU 21 -1.160 3.875 -8.658 117 HB2 GLU 21 1HB GLU 21 -1.074 5.058 -10.825 118 HB3 GLU 21 2HB GLU 21 -2.409 4.072 -11.404 119 HG2 GLU 21 1HG GLU 21 -2.946 6.415 -10.580 120 HG3 GLU 21 2HG GLU 21 -3.943 5.092 -9.978 121 H LEU 22 H LEU 22 -2.194 2.540 -7.250 122 HA LEU 22 HA LEU 22 -4.319 0.791 -8.117 123 HB2 LEU 22 1HB LEU 22 -3.104 1.447 -5.452 124 HB3 LEU 22 2HB LEU 22 -4.550 0.449 -5.590 125 HG LEU 22 HG LEU 22 -1.837 -0.185 -6.752 126 HD11 LEU 22 1HD1 LEU 22 -1.484 -1.626 -5.010 127 HD12 LEU 22 2HD1 LEU 22 -3.204 -1.817 -4.672 128 HD13 LEU 22 3HD1 LEU 22 -2.369 -0.343 -4.184 129 HD21 LEU 22 1HD2 LEU 22 -3.504 -2.443 -6.695 130 HD22 LEU 22 2HD2 LEU 22 -2.900 -1.581 -8.110 131 HD23 LEU 22 3HD2 LEU 22 -4.458 -1.142 -7.409 132 H THR 23 H THR 23 -6.457 1.150 -8.017 133 HA THR 23 HA THR 23 -7.418 3.529 -6.581 134 HB THR 23 HB THR 23 -8.486 4.446 -8.364 135 HG1 THR 23 1HG THR 23 -9.924 2.992 -9.034 136 HG21 THR 23 1HG2 THR 23 -6.773 2.887 -10.224 137 HG22 THR 23 2HG2 THR 23 -5.969 3.804 -8.950 138 HG23 THR 23 3HG2 THR 23 -7.018 4.629 -10.103 139 HA PRO 24 HA PRO 24 -10.685 1.030 -5.052 140 HB2 PRO 24 1HB PRO 24 -12.804 2.727 -5.096 141 HB3 PRO 24 2HB PRO 24 -11.469 2.886 -3.949 142 HG2 PRO 24 1HG PRO 24 -11.954 4.364 -6.506 143 HG3 PRO 24 2HG PRO 24 -11.404 4.988 -4.941 144 HD2 PRO 24 1HD PRO 24 -9.707 4.504 -6.994 145 HD3 PRO 24 2HD PRO 24 -9.228 4.314 -5.295 146 H SER 25 H SER 25 -10.308 1.364 -8.146 147 HA SER 25 HA SER 25 -12.934 0.225 -8.851 148 HB2 SER 25 1HB SER 25 -11.241 2.235 -10.279 149 HB3 SER 25 2HB SER 25 -12.207 1.112 -11.236 150 HG SER 25 HG SER 25 -13.086 3.012 -9.336 151 H ASN 26 H ASN 26 -9.510 -0.071 -8.916 152 HA ASN 26 HA ASN 26 -9.771 -2.597 -10.408 153 HB2 ASN 26 1HB ASN 26 -7.221 -2.024 -10.933 154 HB3 ASN 26 2HB ASN 26 -8.533 -1.445 -11.954 155 HD21 ASN 26 1HD2 ASN 26 -5.958 -0.596 -9.906 156 HD22 ASN 26 2HD2 ASN 26 -6.171 1.118 -9.958 157 H PHE 27 H PHE 27 -8.730 -0.985 -7.601 158 HA PHE 27 HA PHE 27 -6.600 -2.278 -6.587 159 HB2 PHE 27 1HB PHE 27 -7.999 -0.603 -5.371 160 HB3 PHE 27 2HB PHE 27 -9.160 -1.881 -5.027 161 HD1 PHE 27 1HD PHE 27 -8.102 -4.025 -3.894 162 HD2 PHE 27 2HD PHE 27 -6.418 -0.118 -3.784 163 HE1 PHE 27 1HE PHE 27 -6.838 -4.631 -1.872 164 HE2 PHE 27 2HE PHE 27 -5.150 -0.718 -1.763 165 HZ PHE 27 HZ PHE 27 -5.358 -2.977 -0.804 166 H ASN 28 H ASN 28 -9.721 -3.685 -7.213 167 HA ASN 28 HA ASN 28 -9.100 -6.137 -5.796 168 HB2 ASN 28 1HB ASN 28 -11.425 -5.125 -5.948 169 HB3 ASN 28 2HB ASN 28 -11.443 -5.637 -7.634 170 HD21 ASN 28 1HD2 ASN 28 -11.270 -7.901 -8.086 171 HD22 ASN 28 2HD2 ASN 28 -11.832 -9.057 -6.931 172 H ARG 29 H ARG 29 -9.544 -5.081 -9.154 173 HA ARG 29 HA ARG 29 -8.891 -7.658 -10.235 174 HB2 ARG 29 1HB ARG 29 -9.486 -4.956 -11.354 175 HB3 ARG 29 2HB ARG 29 -8.662 -6.121 -12.381 176 HG2 ARG 29 1HG ARG 29 -11.002 -6.264 -12.809 177 HG3 ARG 29 2HG ARG 29 -10.513 -7.722 -11.943 178 HD2 ARG 29 1HD ARG 29 -11.239 -6.491 -9.826 179 HD3 ARG 29 2HD ARG 29 -12.031 -5.346 -10.908 180 HE ARG 29 HE ARG 29 -12.907 -7.995 -10.256 181 HH11 ARG 29 2HH1 ARG 29 -12.978 -5.495 -12.678 182 HH12 ARG 29 1HH1 ARG 29 -14.463 -6.041 -13.385 183 HH21 ARG 29 2HH2 ARG 29 -14.862 -8.724 -11.178 184 HH22 ARG 29 1HH2 ARG 29 -15.534 -7.877 -12.530 185 H GLU 30 H GLU 30 -7.055 -5.289 -8.826 186 HA GLU 30 HA GLU 30 -4.695 -5.885 -10.477 187 HB2 GLU 30 1HB GLU 30 -5.521 -3.544 -8.840 188 HB3 GLU 30 2HB GLU 30 -3.804 -3.916 -8.904 189 HG2 GLU 30 1HG GLU 30 -5.516 -3.557 -11.347 190 HG3 GLU 30 2HG GLU 30 -4.605 -2.253 -10.588 191 H VAL 31 H VAL 31 -5.715 -5.546 -7.086 192 HA VAL 31 HA VAL 31 -3.377 -7.107 -6.253 193 HB VAL 31 HB VAL 31 -5.373 -5.615 -4.544 194 HG11 VAL 31 1HG1 VAL 31 -2.953 -7.249 -3.946 195 HG12 VAL 31 2HG1 VAL 31 -3.322 -5.858 -2.926 196 HG13 VAL 31 3HG1 VAL 31 -4.495 -7.165 -3.095 197 HG21 VAL 31 1HG2 VAL 31 -4.136 -3.753 -4.724 198 HG22 VAL 31 2HG2 VAL 31 -2.614 -4.643 -4.678 199 HG23 VAL 31 3HG2 VAL 31 -3.505 -4.498 -6.193 200 H ILE 32 H ILE 32 -6.806 -6.929 -5.274 201 HA ILE 32 HA ILE 32 -7.002 -9.369 -4.025 202 HB ILE 32 HB ILE 32 -9.162 -8.112 -5.720 203 HG12 ILE 32 1HG1 ILE 32 -8.204 -6.535 -4.074 204 HG13 ILE 32 2HG1 ILE 32 -9.867 -6.964 -3.687 205 HG21 ILE 32 1HG2 ILE 32 -9.416 -9.925 -3.326 206 HG22 ILE 32 2HG2 ILE 32 -10.718 -9.315 -4.348 207 HG23 ILE 32 3HG2 ILE 32 -9.548 -10.462 -5.001 208 HD11 ILE 32 1HD1 ILE 32 -8.426 -6.883 -1.709 209 HD12 ILE 32 2HD1 ILE 32 -9.103 -8.490 -1.976 210 HD13 ILE 32 3HD1 ILE 32 -7.424 -8.159 -2.400 211 H GLN 33 H GLN 33 -7.017 -8.673 -7.455 212 HA GLN 33 HA GLN 33 -7.573 -11.478 -8.078 213 HB2 GLN 33 1HB GLN 33 -7.481 -8.980 -9.761 214 HB3 GLN 33 2HB GLN 33 -7.560 -10.586 -10.473 215 HG2 GLN 33 1HG GLN 33 -9.625 -9.049 -9.016 216 HG3 GLN 33 2HG GLN 33 -9.770 -10.089 -10.432 217 HE21 GLN 33 1HE2 GLN 33 -10.031 -9.862 -7.044 218 HE22 GLN 33 2HE2 GLN 33 -10.471 -11.503 -6.733 219 H SER 34 H SER 34 -5.054 -10.618 -6.869 220 HA SER 34 HA SER 34 -3.240 -11.572 -8.981 221 HB2 SER 34 1HB SER 34 -2.867 -9.166 -8.672 222 HB3 SER 34 2HB SER 34 -2.626 -9.416 -6.943 223 HG SER 34 HG SER 34 -0.659 -10.050 -7.325 224 H ASP 35 H ASP 35 -2.835 -13.600 -8.344 225 HA ASP 35 HA ASP 35 -2.882 -14.603 -5.756 226 HB2 ASP 35 1HB ASP 35 -2.850 -15.929 -7.907 227 HB3 ASP 35 2HB ASP 35 -1.111 -15.649 -7.969 228 H GLY 36 H GLY 36 -0.313 -12.984 -7.499 229 HA2 GLY 36 1HA GLY 36 1.803 -13.680 -5.736 230 HA3 GLY 36 2HA GLY 36 1.803 -12.340 -6.873 231 H LEU 37 H LEU 37 3.082 -11.625 -4.806 232 HA LEU 37 HA LEU 37 1.401 -10.670 -2.658 233 HB2 LEU 37 1HB LEU 37 3.912 -11.482 -2.637 234 HB3 LEU 37 2HB LEU 37 4.222 -9.785 -2.998 235 HG LEU 37 HG LEU 37 2.783 -9.309 -0.908 236 HD11 LEU 37 1HD1 LEU 37 1.870 -11.126 0.006 237 HD12 LEU 37 2HD1 LEU 37 3.483 -11.483 0.620 238 HD13 LEU 37 3HD1 LEU 37 2.932 -12.216 -0.886 239 HD21 LEU 37 1HD2 LEU 37 4.711 -8.959 0.205 240 HD22 LEU 37 2HD2 LEU 37 5.441 -9.414 -1.335 241 HD23 LEU 37 3HD2 LEU 37 5.283 -10.609 -0.046 242 H TRP 38 H TRP 38 0.920 -8.539 -2.185 243 HA TRP 38 HA TRP 38 1.616 -6.543 -4.230 244 HB2 TRP 38 1HB TRP 38 -1.053 -7.470 -3.397 245 HB3 TRP 38 2HB TRP 38 -0.864 -5.719 -3.437 246 HD1 TRP 38 HD TRP 38 -1.028 -8.767 -5.711 247 HE1 TRP 38 1HE TRP 38 -1.231 -7.976 -8.152 248 HE3 TRP 38 3HE TRP 38 -0.223 -3.766 -5.014 249 HZ2 TRP 38 2HZ TRP 38 -1.070 -5.553 -9.592 250 HZ3 TRP 38 3HZ TRP 38 -0.263 -2.281 -6.976 251 HH2 TRP 38 HH TRP 38 -0.678 -3.158 -9.216 252 H LEU 39 H LEU 39 2.374 -4.685 -3.433 253 HA LEU 39 HA LEU 39 2.085 -4.214 -0.541 254 HB2 LEU 39 1HB LEU 39 4.312 -3.857 -2.449 255 HB3 LEU 39 2HB LEU 39 4.128 -2.608 -1.220 256 HG LEU 39 HG LEU 39 4.380 -5.541 -0.580 257 HD11 LEU 39 1HD1 LEU 39 6.387 -4.764 -1.748 258 HD12 LEU 39 2HD1 LEU 39 6.708 -5.099 -0.047 259 HD13 LEU 39 3HD1 LEU 39 6.535 -3.433 -0.600 260 HD21 LEU 39 1HD2 LEU 39 5.305 -3.792 1.454 261 HD22 LEU 39 2HD2 LEU 39 3.939 -4.906 1.497 262 HD23 LEU 39 3HD2 LEU 39 3.706 -3.246 0.947 263 H VAL 40 H VAL 40 0.351 -2.899 -0.360 264 HA VAL 40 HA VAL 40 0.182 -0.545 -2.107 265 HB VAL 40 HB VAL 40 -1.917 -1.540 -0.180 266 HG11 VAL 40 1HG1 VAL 40 -1.723 0.664 -2.133 267 HG12 VAL 40 2HG1 VAL 40 -3.245 -0.229 -2.115 268 HG13 VAL 40 3HG1 VAL 40 -2.658 0.544 -0.642 269 HG21 VAL 40 1HG2 VAL 40 -2.171 -3.271 -1.570 270 HG22 VAL 40 2HG2 VAL 40 -2.826 -2.102 -2.716 271 HG23 VAL 40 3HG2 VAL 40 -1.123 -2.554 -2.793 272 H GLU 41 H GLU 41 0.917 1.322 -1.360 273 HA GLU 41 HA GLU 41 1.016 1.734 1.555 274 HB2 GLU 41 1HB GLU 41 3.229 1.845 0.835 275 HB3 GLU 41 2HB GLU 41 2.802 2.635 -0.676 276 HG2 GLU 41 1HG GLU 41 2.741 4.706 0.256 277 HG3 GLU 41 2HG GLU 41 2.264 4.102 1.841 278 H PHE 42 H PHE 42 -0.597 2.973 2.236 279 HA PHE 42 HA PHE 42 -1.978 4.792 0.507 280 HB2 PHE 42 1HB PHE 42 -2.200 4.405 3.500 281 HB3 PHE 42 2HB PHE 42 -3.324 5.319 2.500 282 HD1 PHE 42 1HD PHE 42 -1.974 1.934 3.127 283 HD2 PHE 42 2HD PHE 42 -5.074 4.253 1.358 284 HE1 PHE 42 1HE PHE 42 -3.272 -0.116 2.722 285 HE2 PHE 42 2HE PHE 42 -6.377 2.207 0.951 286 HZ PHE 42 HZ PHE 42 -5.478 0.019 1.634 287 H TYR 43 H TYR 43 -0.911 6.571 -0.119 288 HA TYR 43 HA TYR 43 0.519 8.132 1.926 289 HB2 TYR 43 1HB TYR 43 1.888 9.030 0.210 290 HB3 TYR 43 2HB TYR 43 1.780 7.304 -0.120 291 HD1 TYR 43 1HD TYR 43 0.389 10.602 -1.114 292 HD2 TYR 43 2HD TYR 43 0.989 6.530 -2.191 293 HE1 TYR 43 1HE TYR 43 -0.395 11.095 -3.392 294 HE2 TYR 43 2HE TYR 43 0.207 7.012 -4.472 295 HH TYR 43 HH TYR 43 -0.088 8.822 -5.974 296 H ALA 44 H ALA 44 0.561 10.569 1.298 297 HA ALA 44 HA ALA 44 -2.083 11.432 0.355 298 HB1 ALA 44 1HB ALA 44 -2.450 11.532 2.649 299 HB2 ALA 44 2HB ALA 44 -0.807 12.076 2.987 300 HB3 ALA 44 3HB ALA 44 -1.965 13.179 2.244 301 HA PRO 45 HA PRO 45 0.591 14.104 -2.003 302 HB2 PRO 45 1HB PRO 45 -1.400 15.390 -3.327 303 HB3 PRO 45 2HB PRO 45 -0.863 13.759 -3.748 304 HG2 PRO 45 1HG PRO 45 -3.226 14.615 -2.121 305 HG3 PRO 45 2HG PRO 45 -3.121 13.357 -3.366 306 HD2 PRO 45 1HD PRO 45 -3.074 12.792 -0.719 307 HD3 PRO 45 2HD PRO 45 -2.194 11.822 -1.918 308 H TRP 46 H TRP 46 -1.216 14.840 0.629 309 HA TRP 46 HA TRP 46 -0.722 17.734 0.377 310 HB2 TRP 46 1HB TRP 46 -2.466 18.015 2.126 311 HB3 TRP 46 2HB TRP 46 -3.084 17.269 0.655 312 HD1 TRP 46 HD TRP 46 -4.428 15.107 0.976 313 HE1 TRP 46 1HE TRP 46 -4.796 13.444 2.907 314 HE3 TRP 46 3HE TRP 46 -1.050 16.987 4.321 315 HZ2 TRP 46 2HZ TRP 46 -3.788 12.991 5.504 316 HZ3 TRP 46 3HZ TRP 46 -0.813 15.881 6.507 317 HH2 TRP 46 HH TRP 46 -2.155 13.925 7.084 318 H CYS 47 H CYS 47 -0.016 14.863 2.134 319 HA CYS 47 HA CYS 47 0.978 16.189 4.487 320 HB2 CYS 47 1HB CYS 47 0.121 13.666 4.032 321 HB3 CYS 47 2HB CYS 47 1.859 13.425 3.895 322 HG CYS 47 HG CYS 47 2.127 14.868 6.491 323 H GLY 48 H GLY 48 3.302 15.568 5.201 324 HA2 GLY 48 1HA GLY 48 5.075 16.482 3.056 325 HA3 GLY 48 2HA GLY 48 5.431 16.512 4.777 326 H HIS 49 H HIS 49 5.625 14.300 5.811 327 HA HIS 49 HA HIS 49 7.750 12.907 4.832 328 HB2 HIS 49 1HB HIS 49 6.789 10.927 6.187 329 HB3 HIS 49 2HB HIS 49 7.155 12.421 7.044 330 HD1 HIS 49 1HD HIS 49 5.419 12.774 8.757 331 HD2 HIS 49 2HD HIS 49 3.813 11.283 5.228 332 HE1 HIS 49 1HE HIS 49 2.936 12.663 9.142 333 HE2 HIS 49 2HE HIS 49 1.995 11.678 7.024 334 H CYS 50 H CYS 50 4.447 12.674 3.812 335 HA CYS 50 HA CYS 50 4.677 10.154 2.489 336 HB2 CYS 50 1HB CYS 50 2.663 12.387 2.397 337 HB3 CYS 50 2HB CYS 50 2.548 11.011 1.307 338 HG CYS 50 HG CYS 50 1.572 11.269 4.434 339 H GLN 51 H GLN 51 4.633 13.524 1.342 340 HA GLN 51 HA GLN 51 5.042 12.936 -1.374 341 HB2 GLN 51 1HB GLN 51 5.778 15.414 0.192 342 HB3 GLN 51 2HB GLN 51 5.763 15.303 -1.563 343 HG2 GLN 51 1HG GLN 51 3.413 15.017 -1.614 344 HG3 GLN 51 2HG GLN 51 3.339 14.783 0.132 345 HE21 GLN 51 1HE2 GLN 51 1.666 16.502 -0.237 346 HE22 GLN 51 2HE2 GLN 51 2.194 18.144 -0.138 347 H ARG 52 H ARG 52 7.147 12.715 1.278 348 HA ARG 52 HA ARG 52 9.546 12.946 -0.381 349 HB2 ARG 52 1HB ARG 52 9.391 12.427 2.590 350 HB3 ARG 52 2HB ARG 52 10.800 12.933 1.667 351 HG2 ARG 52 1HG ARG 52 9.247 14.985 1.085 352 HG3 ARG 52 2HG ARG 52 8.468 14.515 2.597 353 HD2 ARG 52 1HD ARG 52 10.447 14.834 3.835 354 HD3 ARG 52 2HD ARG 52 11.440 14.895 2.379 355 HE ARG 52 HE ARG 52 9.461 16.988 2.588 356 HH11 ARG 52 2HH1 ARG 52 12.728 16.004 3.281 357 HH12 ARG 52 1HH1 ARG 52 13.328 17.624 3.405 358 HH21 ARG 52 2HH2 ARG 52 10.240 19.126 2.749 359 HH22 ARG 52 1HH2 ARG 52 11.912 19.400 3.104 360 H LEU 53 H LEU 53 7.359 10.618 0.510 361 HA LEU 53 HA LEU 53 9.328 8.456 0.628 362 HB2 LEU 53 1HB LEU 53 7.459 8.567 2.277 363 HB3 LEU 53 2HB LEU 53 6.336 8.304 0.945 364 HG LEU 53 HG LEU 53 7.360 6.101 0.543 365 HD11 LEU 53 1HD1 LEU 53 9.435 7.129 2.123 366 HD12 LEU 53 2HD1 LEU 53 9.311 5.519 1.415 367 HD13 LEU 53 3HD1 LEU 53 8.717 5.811 3.050 368 HD21 LEU 53 1HD2 LEU 53 6.349 6.645 3.329 369 HD22 LEU 53 2HD2 LEU 53 6.545 5.030 2.647 370 HD23 LEU 53 3HD2 LEU 53 5.406 6.163 1.918 371 H THR 54 H THR 54 8.046 10.140 -1.748 372 HA THR 54 HA THR 54 6.809 8.256 -3.445 373 HB THR 54 HB THR 54 8.383 10.424 -4.714 374 HG1 THR 54 1HG THR 54 7.458 12.012 -3.643 375 HG21 THR 54 1HG2 THR 54 6.801 10.225 -6.281 376 HG22 THR 54 2HG2 THR 54 5.506 10.386 -5.095 377 HG23 THR 54 3HG2 THR 54 6.234 8.809 -5.399 378 HA PRO 55 HA PRO 55 11.209 7.782 -5.428 379 HB2 PRO 55 1HB PRO 55 13.309 8.612 -3.921 380 HB3 PRO 55 2HB PRO 55 12.475 9.666 -5.069 381 HG2 PRO 55 1HG PRO 55 12.157 9.472 -2.098 382 HG3 PRO 55 2HG PRO 55 12.238 10.917 -3.123 383 HD2 PRO 55 1HD PRO 55 9.899 9.923 -2.188 384 HD3 PRO 55 2HD PRO 55 10.028 10.745 -3.756 385 H GLU 56 H GLU 56 11.077 7.559 -1.891 386 HA GLU 56 HA GLU 56 12.780 5.309 -1.665 387 HB2 GLU 56 1HB GLU 56 10.646 6.379 0.186 388 HB3 GLU 56 2HB GLU 56 11.747 5.075 0.608 389 HG2 GLU 56 1HG GLU 56 12.491 7.916 -0.046 390 HG3 GLU 56 2HG GLU 56 12.532 7.149 1.541 391 H TRP 57 H TRP 57 9.333 5.682 -2.183 392 HA TRP 57 HA TRP 57 8.761 2.885 -1.799 393 HB2 TRP 57 1HB TRP 57 7.131 4.782 -1.373 394 HB3 TRP 57 2HB TRP 57 6.988 4.942 -3.122 395 HD1 TRP 57 HD TRP 57 4.870 3.802 -3.961 396 HE1 TRP 57 1HE TRP 57 3.527 1.695 -3.344 397 HE3 TRP 57 3HE TRP 57 7.721 2.136 -0.058 398 HZ2 TRP 57 2HZ TRP 57 3.658 -0.396 -1.453 399 HZ3 TRP 57 3HZ TRP 57 7.043 0.075 1.101 400 HH2 TRP 57 HH TRP 57 5.053 -1.164 0.417 401 H LYS 58 H LYS 58 9.192 5.073 -4.538 402 HA LYS 58 HA LYS 58 8.428 3.348 -6.594 403 HB2 LYS 58 1HB LYS 58 10.222 5.727 -6.410 404 HB3 LYS 58 2HB LYS 58 10.257 4.765 -7.882 405 HG2 LYS 58 1HG LYS 58 7.946 5.172 -8.293 406 HG3 LYS 58 2HG LYS 58 7.741 5.922 -6.709 407 HD2 LYS 58 1HD LYS 58 9.784 7.085 -8.521 408 HD3 LYS 58 2HD LYS 58 8.087 7.348 -8.931 409 HE2 LYS 58 1HE LYS 58 7.734 8.190 -6.610 410 HE3 LYS 58 2HE LYS 58 9.474 8.070 -6.353 411 HZ1 LYS 58 1HZ LYS 58 9.890 9.750 -7.891 412 HZ2 LYS 58 2HZ LYS 58 8.537 10.314 -7.047 413 HZ3 LYS 58 3HZ LYS 58 8.352 9.644 -8.589 414 H LYS 59 H LYS 59 11.670 3.925 -5.240 415 HA LYS 59 HA LYS 59 13.200 2.280 -6.781 416 HB2 LYS 59 1HB LYS 59 13.300 3.039 -3.899 417 HB3 LYS 59 2HB LYS 59 14.378 1.766 -4.455 418 HG2 LYS 59 1HG LYS 59 15.325 3.275 -6.115 419 HG3 LYS 59 2HG LYS 59 14.224 4.552 -5.591 420 HD2 LYS 59 1HD LYS 59 16.067 3.223 -3.637 421 HD3 LYS 59 2HD LYS 59 16.646 4.527 -4.677 422 HE2 LYS 59 1HE LYS 59 14.506 5.758 -3.806 423 HE3 LYS 59 2HE LYS 59 14.620 4.596 -2.485 424 HZ1 LYS 59 1HZ LYS 59 16.483 6.747 -3.229 425 HZ2 LYS 59 2HZ LYS 59 17.069 5.386 -2.413 426 HZ3 LYS 59 3HZ LYS 59 15.867 6.343 -1.706 427 H ALA 60 H ALA 60 11.485 1.260 -3.824 428 HA ALA 60 HA ALA 60 12.110 -1.452 -3.964 429 HB1 ALA 60 1HB ALA 60 10.614 -1.757 -2.256 430 HB2 ALA 60 2HB ALA 60 10.898 -0.021 -2.126 431 HB3 ALA 60 3HB ALA 60 9.445 -0.619 -2.928 432 H ALA 61 H ALA 61 9.473 0.364 -5.453 433 HA ALA 61 HA ALA 61 8.017 -1.838 -6.435 434 HB1 ALA 61 1HB ALA 61 7.423 0.710 -6.290 435 HB2 ALA 61 2HB ALA 61 8.068 0.738 -7.932 436 HB3 ALA 61 3HB ALA 61 6.706 -0.311 -7.537 437 H THR 62 H THR 62 10.736 -0.024 -7.736 438 HA THR 62 HA THR 62 10.683 -1.062 -10.353 439 HB THR 62 HB THR 62 13.065 -0.087 -8.763 440 HG1 THR 62 1HG THR 62 11.795 1.425 -10.755 441 HG21 THR 62 1HG2 THR 62 14.085 0.314 -10.969 442 HG22 THR 62 2HG2 THR 62 12.697 -0.457 -11.738 443 HG23 THR 62 3HG2 THR 62 13.761 -1.397 -10.693 444 H ALA 63 H ALA 63 12.543 -2.074 -7.490 445 HA ALA 63 HA ALA 63 13.755 -4.301 -8.773 446 HB1 ALA 63 1HB ALA 63 15.031 -3.947 -6.976 447 HB2 ALA 63 2HB ALA 63 13.733 -3.124 -6.109 448 HB3 ALA 63 3HB ALA 63 13.828 -4.885 -6.090 449 H LEU 64 H LEU 64 10.984 -3.978 -6.575 450 HA LEU 64 HA LEU 64 10.372 -6.798 -6.762 451 HB2 LEU 64 1HB LEU 64 8.626 -4.660 -5.576 452 HB3 LEU 64 2HB LEU 64 8.642 -6.384 -5.208 453 HG LEU 64 HG LEU 64 11.078 -4.771 -4.615 454 HD11 LEU 64 1HD1 LEU 64 8.440 -4.379 -3.395 455 HD12 LEU 64 2HD1 LEU 64 9.863 -3.337 -3.392 456 HD13 LEU 64 3HD1 LEU 64 9.750 -4.678 -2.252 457 HD21 LEU 64 1HD2 LEU 64 10.906 -6.385 -2.590 458 HD22 LEU 64 2HD2 LEU 64 11.412 -7.013 -4.158 459 HD23 LEU 64 3HD2 LEU 64 9.755 -7.255 -3.604 460 H LYS 65 H LYS 65 10.126 -4.555 -8.981 461 HA LYS 65 HA LYS 65 7.537 -4.260 -9.827 462 HB2 LYS 65 1HB LYS 65 9.111 -3.123 -11.106 463 HB3 LYS 65 2HB LYS 65 10.128 -4.544 -11.303 464 HG2 LYS 65 1HG LYS 65 8.528 -5.507 -12.850 465 HG3 LYS 65 2HG LYS 65 7.449 -4.130 -12.616 466 HD2 LYS 65 1HD LYS 65 10.263 -3.674 -13.515 467 HD3 LYS 65 2HD LYS 65 9.048 -4.208 -14.679 468 HE2 LYS 65 1HE LYS 65 7.628 -2.287 -13.971 469 HE3 LYS 65 2HE LYS 65 8.965 -1.727 -12.968 470 HZ1 LYS 65 1HZ LYS 65 9.320 -0.544 -14.872 471 HZ2 LYS 65 2HZ LYS 65 8.719 -1.754 -15.890 472 HZ3 LYS 65 3HZ LYS 65 10.260 -1.910 -15.210 473 H ASP 66 H ASP 66 9.704 -6.979 -10.582 474 HA ASP 66 HA ASP 66 7.433 -8.468 -11.672 475 HB2 ASP 66 1HB ASP 66 10.411 -8.771 -11.839 476 HB3 ASP 66 2HB ASP 66 9.374 -10.159 -12.156 477 H VAL 67 H VAL 67 9.290 -8.189 -8.832 478 HA VAL 67 HA VAL 67 8.831 -10.893 -7.910 479 HB VAL 67 HB VAL 67 9.688 -8.693 -6.077 480 HG11 VAL 67 1HG1 VAL 67 9.448 -10.841 -5.082 481 HG12 VAL 67 2HG1 VAL 67 10.352 -11.615 -6.384 482 HG13 VAL 67 3HG1 VAL 67 11.177 -10.540 -5.255 483 HG21 VAL 67 1HG2 VAL 67 11.003 -8.225 -8.026 484 HG22 VAL 67 2HG2 VAL 67 12.034 -9.038 -6.850 485 HG23 VAL 67 3HG2 VAL 67 11.397 -9.932 -8.230 486 H VAL 68 H VAL 68 7.947 -7.695 -6.591 487 HA VAL 68 HA VAL 68 5.362 -8.842 -5.775 488 HB VAL 68 HB VAL 68 7.116 -7.037 -4.104 489 HG11 VAL 68 1HG1 VAL 68 4.239 -7.751 -3.934 490 HG12 VAL 68 2HG1 VAL 68 5.157 -7.653 -2.429 491 HG13 VAL 68 3HG1 VAL 68 5.063 -6.253 -3.499 492 HG21 VAL 68 1HG2 VAL 68 6.995 -8.946 -2.497 493 HG22 VAL 68 2HG2 VAL 68 6.229 -9.899 -3.768 494 HG23 VAL 68 3HG2 VAL 68 7.875 -9.304 -3.983 495 H LYS 69 H LYS 69 3.723 -7.750 -6.613 496 HA LYS 69 HA LYS 69 4.005 -5.385 -8.093 497 HB2 LYS 69 1HB LYS 69 1.579 -6.743 -6.921 498 HB3 LYS 69 2HB LYS 69 1.469 -5.312 -7.937 499 HG2 LYS 69 1HG LYS 69 3.007 -7.634 -8.964 500 HG3 LYS 69 2HG LYS 69 1.246 -7.746 -8.926 501 HD2 LYS 69 1HD LYS 69 0.997 -5.885 -10.354 502 HD3 LYS 69 2HD LYS 69 2.680 -5.397 -10.140 503 HE2 LYS 69 1HE LYS 69 2.331 -6.428 -12.324 504 HE3 LYS 69 2HE LYS 69 3.416 -7.398 -11.329 505 HZ1 LYS 69 1HZ LYS 69 1.194 -8.296 -12.623 506 HZ2 LYS 69 2HZ LYS 69 0.676 -8.157 -11.019 507 HZ3 LYS 69 3HZ LYS 69 2.022 -9.111 -11.393 508 H VAL 70 H VAL 70 4.800 -3.613 -7.098 509 HA VAL 70 HA VAL 70 3.718 -2.795 -4.512 510 HB VAL 70 HB VAL 70 5.954 -1.595 -6.153 511 HG11 VAL 70 1HG1 VAL 70 5.888 -0.969 -3.318 512 HG12 VAL 70 2HG1 VAL 70 6.074 0.101 -4.709 513 HG13 VAL 70 3HG1 VAL 70 4.463 -0.378 -4.173 514 HG21 VAL 70 1HG2 VAL 70 5.842 -3.685 -4.054 515 HG22 VAL 70 2HG2 VAL 70 6.928 -3.522 -5.434 516 HG23 VAL 70 3HG2 VAL 70 7.182 -2.541 -3.990 517 H GLY 71 H GLY 71 1.752 -1.871 -4.777 518 HA2 GLY 71 1HA GLY 71 1.371 0.079 -6.929 519 HA3 GLY 71 2HA GLY 71 0.106 -0.616 -5.926 520 H ALA 72 H ALA 72 -0.600 1.652 -5.796 521 HA ALA 72 HA ALA 72 0.276 2.820 -3.336 522 HB1 ALA 72 1HB ALA 72 1.094 4.910 -4.136 523 HB2 ALA 72 2HB ALA 72 1.995 3.639 -4.962 524 HB3 ALA 72 3HB ALA 72 0.702 4.493 -5.804 525 H VAL 73 H VAL 73 -1.434 3.727 -2.390 526 HA VAL 73 HA VAL 73 -3.668 4.610 -4.101 527 HB VAL 73 HB VAL 73 -3.677 3.013 -1.573 528 HG11 VAL 73 1HG1 VAL 73 -5.601 5.141 -2.318 529 HG12 VAL 73 2HG1 VAL 73 -6.264 3.626 -1.701 530 HG13 VAL 73 3HG1 VAL 73 -5.121 4.552 -0.727 531 HG21 VAL 73 1HG2 VAL 73 -5.444 1.786 -2.788 532 HG22 VAL 73 2HG2 VAL 73 -5.244 2.891 -4.148 533 HG23 VAL 73 3HG2 VAL 73 -3.917 1.833 -3.669 534 H ASN 74 H ASN 74 -4.198 6.681 -3.913 535 HA ASN 74 HA ASN 74 -2.911 8.363 -1.987 536 HB2 ASN 74 1HB ASN 74 -3.311 9.242 -4.194 537 HB3 ASN 74 2HB ASN 74 -5.038 8.922 -4.062 538 HD21 ASN 74 1HD2 ASN 74 -4.967 11.262 -4.711 539 HD22 ASN 74 2HD2 ASN 74 -4.950 12.425 -3.434 540 H ALA 75 H ALA 75 -3.624 7.666 0.039 541 HA ALA 75 HA ALA 75 -6.104 7.079 0.957 542 HB1 ALA 75 1HB ALA 75 -5.296 8.417 3.089 543 HB2 ALA 75 2HB ALA 75 -4.541 6.897 2.607 544 HB3 ALA 75 3HB ALA 75 -3.771 8.431 2.203 545 H ASP 76 H ASP 76 -4.832 10.312 0.329 546 HA ASP 76 HA ASP 76 -6.955 11.787 1.423 547 HB2 ASP 76 1HB ASP 76 -4.787 12.781 0.794 548 HB3 ASP 76 2HB ASP 76 -5.167 12.519 -0.906 549 H LYS 77 H LYS 77 -6.433 10.533 -1.850 550 HA LYS 77 HA LYS 77 -8.978 11.554 -2.771 551 HB2 LYS 77 1HB LYS 77 -7.231 11.559 -4.388 552 HB3 LYS 77 2HB LYS 77 -6.827 9.879 -4.059 553 HG2 LYS 77 1HG LYS 77 -9.258 9.422 -4.872 554 HG3 LYS 77 2HG LYS 77 -9.098 11.009 -5.626 555 HD2 LYS 77 1HD LYS 77 -7.050 8.839 -5.999 556 HD3 LYS 77 2HD LYS 77 -8.468 8.985 -7.041 557 HE2 LYS 77 1HE LYS 77 -7.767 11.020 -7.918 558 HE3 LYS 77 2HE LYS 77 -6.683 11.341 -6.565 559 HZ1 LYS 77 1HZ LYS 77 -6.001 10.275 -9.002 560 HZ2 LYS 77 2HZ LYS 77 -5.943 8.963 -7.936 561 HZ3 LYS 77 3HZ LYS 77 -5.024 10.349 -7.623 562 H HIS 78 H HIS 78 -7.542 8.293 -2.550 563 HA HIS 78 HA HIS 78 -10.152 7.067 -2.741 564 HB2 HIS 78 1HB HIS 78 -7.490 5.750 -2.170 565 HB3 HIS 78 2HB HIS 78 -8.968 4.958 -2.709 566 HD1 HIS 78 1HD HIS 78 -9.721 6.844 -5.031 567 HD2 HIS 78 2HD HIS 78 -5.894 5.379 -4.346 568 HE1 HIS 78 1HE HIS 78 -8.551 6.957 -7.254 569 HE2 HIS 78 2HE HIS 78 -6.265 5.986 -6.833 570 H GLN 79 H GLN 79 -9.998 8.740 -0.526 571 HA GLN 79 HA GLN 79 -9.236 7.832 1.902 572 HB2 GLN 79 1HB GLN 79 -11.731 9.252 1.038 573 HB3 GLN 79 2HB GLN 79 -11.515 8.800 2.724 574 HG2 GLN 79 1HG GLN 79 -9.493 10.110 2.857 575 HG3 GLN 79 2HG GLN 79 -9.597 10.493 1.140 576 HE21 GLN 79 1HE2 GLN 79 -9.384 12.625 2.534 577 HE22 GLN 79 2HE2 GLN 79 -10.886 13.436 2.797 578 H SER 80 H SER 80 -12.036 6.705 0.066 579 HA SER 80 HA SER 80 -13.223 5.085 1.986 580 HB2 SER 80 1HB SER 80 -13.054 4.523 -0.984 581 HB3 SER 80 2HB SER 80 -14.262 3.891 0.136 582 HG SER 80 HG SER 80 -14.484 6.385 0.503 583 H LEU 81 H LEU 81 -10.718 4.244 -0.393 584 HA LEU 81 HA LEU 81 -10.435 1.554 0.253 585 HB2 LEU 81 1HB LEU 81 -8.475 3.578 -0.790 586 HB3 LEU 81 2HB LEU 81 -8.049 1.882 -0.572 587 HG LEU 81 HG LEU 81 -10.188 2.953 -2.413 588 HD11 LEU 81 1HD1 LEU 81 -8.745 2.488 -4.199 589 HD12 LEU 81 2HD1 LEU 81 -7.639 1.566 -3.181 590 HD13 LEU 81 3HD1 LEU 81 -7.739 3.319 -3.013 591 HD21 LEU 81 1HD2 LEU 81 -9.660 0.362 -3.132 592 HD22 LEU 81 2HD2 LEU 81 -11.053 0.903 -2.195 593 HD23 LEU 81 3HD2 LEU 81 -9.619 0.287 -1.371 594 H GLY 82 H GLY 82 -8.328 4.219 1.364 595 HA2 GLY 82 1HA GLY 82 -6.823 2.823 3.201 596 HA3 GLY 82 2HA GLY 82 -7.229 4.526 3.360 597 H GLY 83 H GLY 83 -9.679 4.788 4.067 598 HA2 GLY 83 1HA GLY 83 -9.859 3.973 6.715 599 HA3 GLY 83 2HA GLY 83 -11.217 4.537 5.753 600 H GLN 84 H GLN 84 -11.270 2.474 3.836 601 HA GLN 84 HA GLN 84 -12.924 0.612 5.031 602 HB2 GLN 84 1HB GLN 84 -12.825 0.994 2.607 603 HB3 GLN 84 2HB GLN 84 -11.237 0.242 2.549 604 HG2 GLN 84 1HG GLN 84 -12.070 -1.869 2.821 605 HG3 GLN 84 2HG GLN 84 -13.506 -1.311 3.678 606 HE21 GLN 84 1HE2 GLN 84 -11.968 -1.075 0.491 607 HE22 GLN 84 2HE2 GLN 84 -13.433 -1.198 -0.416 608 H TYR 85 H TYR 85 -9.530 0.816 5.167 609 HA TYR 85 HA TYR 85 -9.317 -1.974 6.076 610 HB2 TYR 85 1HB TYR 85 -7.314 -0.068 4.897 611 HB3 TYR 85 2HB TYR 85 -6.790 -1.466 5.828 612 HD1 TYR 85 1HD TYR 85 -9.149 -0.675 3.032 613 HD2 TYR 85 2HD TYR 85 -6.289 -3.380 4.648 614 HE1 TYR 85 1HE TYR 85 -9.350 -2.079 1.023 615 HE2 TYR 85 2HE TYR 85 -6.482 -4.791 2.642 616 HH TYR 85 HH TYR 85 -7.275 -4.169 0.024 617 H GLY 86 H GLY 86 -8.638 1.374 6.925 618 HA2 GLY 86 1HA GLY 86 -9.071 1.752 9.392 619 HA3 GLY 86 2HA GLY 86 -7.886 0.477 9.635 620 H VAL 87 H VAL 87 -7.361 2.636 7.009 621 HA VAL 87 HA VAL 87 -4.878 3.517 8.090 622 HB VAL 87 HB VAL 87 -6.385 4.535 5.677 623 HG11 VAL 87 1HG1 VAL 87 -4.314 5.780 6.927 624 HG12 VAL 87 2HG1 VAL 87 -3.464 4.768 5.758 625 HG13 VAL 87 3HG1 VAL 87 -4.682 5.919 5.209 626 HG21 VAL 87 1HG2 VAL 87 -5.949 2.319 5.178 627 HG22 VAL 87 2HG2 VAL 87 -4.518 3.128 4.540 628 HG23 VAL 87 3HG2 VAL 87 -4.443 2.300 6.095 629 H GLN 88 H GLN 88 -4.690 4.990 9.637 630 HA GLN 88 HA GLN 88 -6.579 7.251 9.663 631 HB2 GLN 88 1HB GLN 88 -6.175 7.410 12.081 632 HB3 GLN 88 2HB GLN 88 -6.821 5.836 11.634 633 HG2 GLN 88 1HG GLN 88 -4.812 4.755 12.025 634 HG3 GLN 88 2HG GLN 88 -3.874 6.242 11.898 635 HE21 GLN 88 1HE2 GLN 88 -3.208 7.097 13.728 636 HE22 GLN 88 2HE2 GLN 88 -3.892 6.821 15.290 637 H GLY 89 H GLY 89 -3.239 6.253 9.782 638 HA2 GLY 89 1HA GLY 89 -2.458 9.066 9.418 639 HA3 GLY 89 2HA GLY 89 -1.636 8.093 10.629 640 H PHE 90 H PHE 90 -1.192 9.336 7.711 641 HA PHE 90 HA PHE 90 0.133 6.978 6.571 642 HB2 PHE 90 1HB PHE 90 0.111 9.468 4.999 643 HB3 PHE 90 2HB PHE 90 -0.277 7.822 4.510 644 HD1 PHE 90 2HD PHE 90 -2.485 7.098 6.228 645 HD2 PHE 90 1HD PHE 90 -1.633 10.815 4.337 646 HE1 PHE 90 2HE PHE 90 -4.881 7.655 6.252 647 HE2 PHE 90 1HE PHE 90 -4.028 11.379 4.360 648 HZ PHE 90 HZ PHE 90 -5.656 9.798 5.317 649 HA PRO 91 HA PRO 91 1.513 7.218 4.484 650 HB2 PRO 91 1HB PRO 91 3.798 5.762 4.300 651 HB3 PRO 91 2HB PRO 91 3.638 7.389 3.626 652 HG2 PRO 91 1HG PRO 91 4.890 6.520 6.203 653 HG3 PRO 91 2HG PRO 91 5.472 7.705 5.019 654 HD2 PRO 91 1HD PRO 91 4.223 8.428 7.311 655 HD3 PRO 91 2HD PRO 91 4.082 9.366 5.810 656 H THR 92 H THR 92 0.798 5.102 4.295 657 HA THR 92 HA THR 92 1.200 3.345 6.620 658 HB THR 92 HB THR 92 -1.413 4.093 5.325 659 HG1 THR 92 1HG THR 92 -0.272 4.220 7.899 660 HG21 THR 92 1HG2 THR 92 -0.656 1.566 6.720 661 HG22 THR 92 2HG2 THR 92 -1.748 1.816 5.358 662 HG23 THR 92 3HG2 THR 92 -2.262 2.242 6.990 663 H ILE 93 H ILE 93 2.410 1.762 5.758 664 HA ILE 93 HA ILE 93 1.820 0.754 3.089 665 HB ILE 93 HB ILE 93 4.019 -0.012 5.013 666 HG12 ILE 93 1HG1 ILE 93 4.419 1.478 2.444 667 HG13 ILE 93 2HG1 ILE 93 3.902 2.354 3.881 668 HG21 ILE 93 1HG2 ILE 93 3.149 -1.097 2.424 669 HG22 ILE 93 2HG2 ILE 93 4.877 -0.778 2.562 670 HG23 ILE 93 3HG2 ILE 93 4.084 -1.849 3.716 671 HD11 ILE 93 1HD1 ILE 93 5.887 1.450 5.066 672 HD12 ILE 93 2HD1 ILE 93 6.422 0.754 3.536 673 HD13 ILE 93 3HD1 ILE 93 6.274 2.503 3.705 674 H LYS 94 H LYS 94 0.981 -1.219 2.640 675 HA LYS 94 HA LYS 94 0.434 -3.036 4.885 676 HB2 LYS 94 1HB LYS 94 -1.511 -1.984 2.846 677 HB3 LYS 94 2HB LYS 94 -1.788 -3.516 3.664 678 HG2 LYS 94 1HG LYS 94 -1.224 -1.068 5.272 679 HG3 LYS 94 2HG LYS 94 -2.833 -1.327 4.595 680 HD2 LYS 94 1HD LYS 94 -2.652 -3.674 5.658 681 HD3 LYS 94 2HD LYS 94 -1.344 -2.972 6.612 682 HE2 LYS 94 1HE LYS 94 -2.892 -1.209 7.377 683 HE3 LYS 94 2HE LYS 94 -4.192 -1.985 6.473 684 HZ1 LYS 94 1HZ LYS 94 -4.366 -2.689 8.710 685 HZ2 LYS 94 2HZ LYS 94 -2.721 -3.073 8.805 686 HZ3 LYS 94 3HZ LYS 94 -3.753 -4.007 7.844 687 H ILE 95 H ILE 95 0.683 -5.173 4.454 688 HA ILE 95 HA ILE 95 1.712 -5.851 1.796 689 HB ILE 95 HB ILE 95 1.886 -7.377 4.397 690 HG12 ILE 95 1HG1 ILE 95 4.239 -6.279 2.918 691 HG13 ILE 95 2HG1 ILE 95 3.262 -5.176 3.880 692 HG21 ILE 95 1HG2 ILE 95 3.760 -8.422 2.674 693 HG22 ILE 95 2HG2 ILE 95 2.213 -9.156 3.090 694 HG23 ILE 95 3HG2 ILE 95 2.357 -8.168 1.637 695 HD11 ILE 95 1HD1 ILE 95 3.785 -7.458 5.463 696 HD12 ILE 95 2HD1 ILE 95 5.305 -6.943 4.731 697 HD13 ILE 95 3HD1 ILE 95 4.356 -5.805 5.688 698 H PHE 96 H PHE 96 0.654 -7.159 0.439 699 HA PHE 96 HA PHE 96 -1.779 -8.488 1.437 700 HB2 PHE 96 1HB PHE 96 -1.152 -7.166 -1.187 701 HB3 PHE 96 2HB PHE 96 -2.413 -8.391 -1.082 702 HD1 PHE 96 1HD PHE 96 -1.321 -5.198 0.484 703 HD2 PHE 96 2HD PHE 96 -4.562 -7.775 -0.502 704 HE1 PHE 96 1HE PHE 96 -2.913 -3.485 1.253 705 HE2 PHE 96 2HE PHE 96 -6.158 -6.067 0.263 706 HZ PHE 96 HZ PHE 96 -5.335 -3.918 1.142 707 H GLY 97 H GLY 97 -1.801 -10.636 1.399 708 HA2 GLY 97 1HA GLY 97 -0.623 -12.153 -0.726 709 HA3 GLY 97 2HA GLY 97 0.318 -12.255 0.754 710 H ALA 98 H ALA 98 -0.459 -13.420 2.491 711 HA ALA 98 HA ALA 98 -1.814 -15.708 2.175 712 HB1 ALA 98 1HB ALA 98 -1.548 -15.890 4.374 713 HB2 ALA 98 2HB ALA 98 -0.961 -14.226 4.373 714 HB3 ALA 98 3HB ALA 98 -2.665 -14.561 4.682 715 H ASN 99 H ASN 99 -3.517 -12.914 3.599 716 HA ASN 99 HA ASN 99 -5.967 -13.859 2.261 717 HB2 ASN 99 1HB ASN 99 -5.980 -14.048 4.754 718 HB3 ASN 99 2HB ASN 99 -5.794 -12.299 4.847 719 HD21 ASN 99 1HD2 ASN 99 -7.775 -12.286 6.021 720 HD22 ASN 99 2HD2 ASN 99 -9.285 -12.375 5.185 721 H LYS 100 H LYS 100 -5.946 -12.609 0.446 722 HA LYS 100 HA LYS 100 -5.118 -9.986 0.178 723 HB2 LYS 100 1HB LYS 100 -7.136 -11.649 -1.292 724 HB3 LYS 100 2HB LYS 100 -6.923 -9.953 -1.709 725 HG2 LYS 100 1HG LYS 100 -4.753 -12.042 -1.734 726 HG3 LYS 100 2HG LYS 100 -5.613 -11.431 -3.150 727 HD2 LYS 100 1HD LYS 100 -4.799 -9.135 -2.517 728 HD3 LYS 100 2HD LYS 100 -3.773 -9.911 -1.310 729 HE2 LYS 100 1HE LYS 100 -3.711 -10.463 -4.275 730 HE3 LYS 100 2HE LYS 100 -2.570 -9.439 -3.405 731 HZ1 LYS 100 1HZ LYS 100 -1.861 -11.342 -2.126 732 HZ2 LYS 100 2HZ LYS 100 -1.707 -11.679 -3.776 733 HZ3 LYS 100 3HZ LYS 100 -2.995 -12.334 -2.895 734 H ASN 101 H ASN 101 -7.902 -11.208 1.762 735 HA ASN 101 HA ASN 101 -9.427 -8.765 1.606 736 HB2 ASN 101 1HB ASN 101 -9.775 -11.369 3.074 737 HB3 ASN 101 2HB ASN 101 -10.816 -9.989 3.409 738 HD21 ASN 101 1HD2 ASN 101 -9.783 -12.262 0.958 739 HD22 ASN 101 2HD2 ASN 101 -11.163 -12.078 -0.066 740 H LYS 102 H LYS 102 -7.120 -10.217 3.768 741 HA LYS 102 HA LYS 102 -7.231 -7.802 5.436 742 HB2 LYS 102 1HB LYS 102 -6.870 -10.583 6.560 743 HB3 LYS 102 2HB LYS 102 -7.009 -9.081 7.465 744 HG2 LYS 102 1HG LYS 102 -9.325 -8.846 6.530 745 HG3 LYS 102 2HG LYS 102 -9.153 -10.483 5.892 746 HD2 LYS 102 1HD LYS 102 -8.559 -10.020 8.771 747 HD3 LYS 102 2HD LYS 102 -10.247 -10.022 8.256 748 HE2 LYS 102 1HE LYS 102 -9.599 -12.231 7.050 749 HE3 LYS 102 2HE LYS 102 -8.231 -12.231 8.162 750 HZ1 LYS 102 1HZ LYS 102 -11.093 -12.129 8.951 751 HZ2 LYS 102 2HZ LYS 102 -9.777 -12.144 10.013 752 HZ3 LYS 102 3HZ LYS 102 -10.096 -13.492 9.042 753 HA PRO 103 HA PRO 103 -2.926 -8.308 4.070 754 HB2 PRO 103 1HB PRO 103 -2.312 -5.679 4.355 755 HB3 PRO 103 2HB PRO 103 -3.129 -6.326 2.927 756 HG2 PRO 103 1HG PRO 103 -4.292 -4.924 5.303 757 HG3 PRO 103 2HG PRO 103 -4.673 -4.716 3.584 758 HD2 PRO 103 1HD PRO 103 -6.223 -6.181 5.252 759 HD3 PRO 103 2HD PRO 103 -6.036 -6.574 3.531 760 H GLU 104 H GLU 104 -0.852 -7.585 5.128 761 HA GLU 104 HA GLU 104 -1.159 -7.747 8.047 762 HB2 GLU 104 1HB GLU 104 1.304 -8.359 6.409 763 HB3 GLU 104 2HB GLU 104 1.058 -8.696 8.116 764 HG2 GLU 104 1HG GLU 104 -0.594 -10.352 7.620 765 HG3 GLU 104 2HG GLU 104 -0.573 -9.926 5.909 766 H ASP 105 H ASP 105 -0.205 -6.283 9.391 767 HA ASP 105 HA ASP 105 0.256 -3.683 8.460 768 HB2 ASP 105 1HB ASP 105 -0.296 -3.635 10.679 769 HB3 ASP 105 2HB ASP 105 0.602 -5.105 11.045 770 H TYR 106 H TYR 106 1.979 -2.710 7.614 771 HA TYR 106 HA TYR 106 4.411 -4.223 7.232 772 HB2 TYR 106 1HB TYR 106 3.516 -2.911 5.378 773 HB3 TYR 106 2HB TYR 106 3.642 -1.438 6.333 774 HD1 TYR 106 1HD TYR 106 5.938 -0.625 7.005 775 HD2 TYR 106 2HD TYR 106 5.352 -3.712 4.136 776 HE1 TYR 106 1HE TYR 106 8.223 -0.272 6.166 777 HE2 TYR 106 2HE TYR 106 7.635 -3.368 3.290 778 HH TYR 106 HH TYR 106 9.966 -1.645 4.937 779 H GLN 107 H GLN 107 5.695 -4.342 8.976 780 HA GLN 107 HA GLN 107 6.280 -1.856 10.440 781 HB2 GLN 107 1HB GLN 107 5.328 -4.067 11.552 782 HB3 GLN 107 2HB GLN 107 7.024 -4.529 11.534 783 HG2 GLN 107 1HG GLN 107 6.679 -3.574 13.634 784 HG3 GLN 107 2HG GLN 107 7.485 -2.320 12.692 785 HE21 GLN 107 1HE2 GLN 107 4.127 -3.426 13.022 786 HE22 GLN 107 2HE2 GLN 107 3.468 -1.866 13.366 787 H GLY 108 H GLY 108 7.554 -2.228 8.019 788 HA2 GLY 108 1HA GLY 108 10.266 -3.107 8.780 789 HA3 GLY 108 2HA GLY 108 9.657 -3.051 7.132 790 H GLY 109 H GLY 109 11.530 -1.817 6.565 791 HA2 GLY 109 1HA GLY 109 11.709 0.872 7.706 792 HA3 GLY 109 2HA GLY 109 12.888 0.116 6.645 793 H ARG 110 H ARG 110 11.284 2.725 6.627 794 HA ARG 110 HA ARG 110 9.745 2.498 4.185 795 HB2 ARG 110 1HB ARG 110 10.252 4.623 6.206 796 HB3 ARG 110 2HB ARG 110 9.803 5.135 4.585 797 HG2 ARG 110 1HG ARG 110 7.715 4.086 4.709 798 HG3 ARG 110 2HG ARG 110 8.193 3.110 6.098 799 HD2 ARG 110 1HD ARG 110 6.661 5.033 6.613 800 HD3 ARG 110 2HD ARG 110 8.159 4.993 7.542 801 HE ARG 110 HE ARG 110 8.232 6.615 5.147 802 HH11 ARG 110 2HH1 ARG 110 7.651 6.507 8.578 803 HH12 ARG 110 1HH1 ARG 110 7.920 8.203 8.809 804 HH21 ARG 110 2HH2 ARG 110 8.589 8.849 5.438 805 HH22 ARG 110 1HH2 ARG 110 8.453 9.534 7.022 806 H THR 111 H THR 111 12.323 1.716 3.702 807 HA THR 111 HA THR 111 13.332 3.924 2.033 808 HB THR 111 HB THR 111 15.635 2.976 2.366 809 HG1 THR 111 1HG THR 111 15.905 1.307 3.655 810 HG21 THR 111 1HG2 THR 111 15.438 3.698 5.014 811 HG22 THR 111 2HG2 THR 111 14.030 4.475 4.290 812 HG23 THR 111 3HG2 THR 111 15.643 4.808 3.660 813 H GLY 112 H GLY 112 13.705 3.445 -0.057 814 HA2 GLY 112 1HA GLY 112 12.635 1.449 -1.462 815 HA3 GLY 112 2HA GLY 112 14.183 2.140 -1.927 816 H GLU 113 H GLU 113 15.578 1.137 0.426 817 HA GLU 113 HA GLU 113 16.253 -1.450 -0.599 818 HB2 GLU 113 1HB GLU 113 17.242 -0.588 2.068 819 HB3 GLU 113 2HB GLU 113 18.110 -1.337 0.735 820 HG2 GLU 113 1HG GLU 113 17.634 0.989 -0.417 821 HG3 GLU 113 2HG GLU 113 17.535 1.525 1.259 822 H ALA 114 H ALA 114 15.131 -0.385 2.618 823 HA ALA 114 HA ALA 114 14.685 -2.845 3.760 824 HB1 ALA 114 1HB ALA 114 12.775 -1.585 5.001 825 HB2 ALA 114 2HB ALA 114 14.451 -1.078 5.224 826 HB3 ALA 114 3HB ALA 114 13.394 -0.178 4.136 827 H ILE 115 H ILE 115 12.309 -0.901 1.947 828 HA ILE 115 HA ILE 115 10.133 -2.565 2.065 829 HB ILE 115 HB ILE 115 11.009 -1.006 -0.369 830 HG12 ILE 115 1HG1 ILE 115 8.983 0.003 1.571 831 HG13 ILE 115 2HG1 ILE 115 10.679 0.096 2.033 832 HG21 ILE 115 1HG2 ILE 115 8.721 -1.038 -1.052 833 HG22 ILE 115 2HG2 ILE 115 9.207 -2.700 -0.722 834 HG23 ILE 115 3HG2 ILE 115 8.227 -1.819 0.450 835 HD11 ILE 115 1HD1 ILE 115 11.192 1.533 0.257 836 HD12 ILE 115 2HD1 ILE 115 9.675 1.184 -0.573 837 HD13 ILE 115 3HD1 ILE 115 9.669 2.130 0.915 838 H VAL 116 H VAL 116 12.783 -2.692 -0.301 839 HA VAL 116 HA VAL 116 11.857 -4.785 -1.871 840 HB VAL 116 HB VAL 116 14.697 -4.063 -1.148 841 HG11 VAL 116 1HG1 VAL 116 14.547 -6.398 -1.895 842 HG12 VAL 116 2HG1 VAL 116 13.726 -5.865 -3.363 843 HG13 VAL 116 3HG1 VAL 116 15.396 -5.385 -3.062 844 HG21 VAL 116 1HG2 VAL 116 14.704 -2.643 -2.934 845 HG22 VAL 116 2HG2 VAL 116 13.491 -3.569 -3.818 846 HG23 VAL 116 3HG2 VAL 116 13.003 -2.525 -2.483 847 H ASP 117 H ASP 117 13.690 -4.881 1.151 848 HA ASP 117 HA ASP 117 14.007 -7.716 1.162 849 HB2 ASP 117 1HB ASP 117 15.357 -5.895 2.443 850 HB3 ASP 117 2HB ASP 117 14.079 -6.032 3.647 851 H ALA 118 H ALA 118 11.635 -5.480 2.467 852 HA ALA 118 HA ALA 118 10.285 -7.308 4.145 853 HB1 ALA 118 1HB ALA 118 9.333 -5.396 4.744 854 HB2 ALA 118 2HB ALA 118 9.962 -4.587 3.308 855 HB3 ALA 118 3HB ALA 118 8.411 -5.424 3.240 856 H ALA 119 H ALA 119 9.669 -6.260 0.804 857 HA ALA 119 HA ALA 119 7.346 -7.739 0.355 858 HB1 ALA 119 1HB ALA 119 9.347 -6.379 -1.298 859 HB2 ALA 119 2HB ALA 119 8.511 -7.707 -2.104 860 HB3 ALA 119 3HB ALA 119 7.586 -6.376 -1.409 861 H LEU 120 H LEU 120 10.746 -8.625 -0.145 862 HA LEU 120 HA LEU 120 10.253 -11.166 -1.262 863 HB2 LEU 120 1HB LEU 120 12.636 -10.137 0.270 864 HB3 LEU 120 2HB LEU 120 12.600 -11.653 -0.628 865 HG LEU 120 HG LEU 120 12.024 -9.076 -2.032 866 HD11 LEU 120 1HD1 LEU 120 14.603 -9.334 -2.593 867 HD12 LEU 120 2HD1 LEU 120 14.631 -9.990 -0.957 868 HD13 LEU 120 3HD1 LEU 120 14.029 -8.357 -1.242 869 HD21 LEU 120 1HD2 LEU 120 12.985 -10.303 -3.923 870 HD22 LEU 120 2HD2 LEU 120 11.623 -11.167 -3.209 871 HD23 LEU 120 3HD2 LEU 120 13.274 -11.689 -2.872 872 H SER 121 H SER 121 11.220 -10.273 2.054 873 HA SER 121 HA SER 121 11.249 -12.685 3.286 874 HB2 SER 121 1HB SER 121 11.526 -10.303 4.278 875 HB3 SER 121 2HB SER 121 9.796 -10.405 4.605 876 HG SER 121 HG SER 121 11.536 -11.228 6.206 877 H ALA 122 H ALA 122 8.360 -10.799 2.499 878 HA ALA 122 HA ALA 122 6.552 -12.692 3.666 879 HB1 ALA 122 1HB ALA 122 6.363 -10.109 2.316 880 HB2 ALA 122 2HB ALA 122 5.026 -11.202 1.954 881 HB3 ALA 122 3HB ALA 122 5.392 -10.780 3.627 882 H LEU 123 H LEU 123 7.515 -11.871 0.345 883 HA LEU 123 HA LEU 123 5.854 -13.533 -1.081 884 HB2 LEU 123 1HB LEU 123 7.564 -11.886 -1.952 885 HB3 LEU 123 2HB LEU 123 8.767 -13.154 -1.728 886 HG LEU 123 HG LEU 123 8.226 -13.218 -4.006 887 HD11 LEU 123 1HD1 LEU 123 8.129 -15.414 -2.734 888 HD12 LEU 123 2HD1 LEU 123 7.376 -15.385 -4.328 889 HD13 LEU 123 3HD1 LEU 123 6.375 -15.298 -2.879 890 HD21 LEU 123 1HD2 LEU 123 5.466 -12.665 -3.054 891 HD22 LEU 123 2HD2 LEU 123 5.664 -13.565 -4.558 892 HD23 LEU 123 3HD2 LEU 123 6.367 -11.955 -4.394 893 H ARG 124 H ARG 124 9.109 -14.364 0.119 894 HA ARG 124 HA ARG 124 9.107 -17.035 -0.670 895 HB2 ARG 124 1HB ARG 124 10.938 -17.352 0.829 896 HB3 ARG 124 2HB ARG 124 11.073 -15.721 0.185 897 HG2 ARG 124 1HG ARG 124 10.449 -14.739 2.195 898 HG3 ARG 124 2HG ARG 124 9.715 -16.225 2.802 899 HD2 ARG 124 1HD ARG 124 11.714 -16.050 3.996 900 HD3 ARG 124 2HD ARG 124 12.080 -17.203 2.713 901 HE ARG 124 HE ARG 124 12.843 -14.850 1.639 902 HH11 ARG 124 2HH1 ARG 124 13.527 -16.403 4.679 903 HH12 ARG 124 1HH1 ARG 124 15.100 -15.694 4.836 904 HH21 ARG 124 2HH2 ARG 124 14.912 -13.911 1.834 905 HH22 ARG 124 1HH2 ARG 124 15.887 -14.276 3.218 906 H SER 125 H SER 125 7.660 -15.482 2.105 907 HA SER 125 HA SER 125 7.213 -17.743 3.705 908 HB2 SER 125 1HB SER 125 6.907 -15.253 4.293 909 HB3 SER 125 2HB SER 125 5.308 -15.412 3.567 910 HG SER 125 HG SER 125 4.848 -16.004 5.556 911 H GLY 126 H GLY 126 5.004 -16.119 1.419 912 HA2 GLY 126 1HA GLY 126 3.172 -16.899 0.277 913 HA3 GLY 126 2HA GLY 126 3.989 -18.454 0.280 914 HA PRO 127 HA PRO 127 0.137 -18.277 3.124 915 HB2 PRO 127 1HB PRO 127 -1.721 -19.327 1.446 916 HB3 PRO 127 2HB PRO 127 -1.437 -17.589 1.598 917 HG2 PRO 127 1HG PRO 127 -0.443 -19.496 -0.484 918 HG3 PRO 127 2HG PRO 127 -1.091 -17.858 -0.686 919 HD2 PRO 127 1HD PRO 127 1.564 -18.387 -0.717 920 HD3 PRO 127 2HD PRO 127 0.902 -16.861 -0.098 921 H SER 128 H SER 128 1.803 -20.474 1.104 922 HA SER 128 HA SER 128 2.342 -22.674 1.343 923 HB2 SER 128 1HB SER 128 2.451 -21.991 3.803 924 HB3 SER 128 2HB SER 128 0.835 -22.678 3.959 925 HG SER 128 HG SER 128 1.799 -24.523 4.162 926 H SER 129 H SER 129 0.095 -21.995 -0.147 927 HA SER 129 HA SER 129 -1.759 -24.212 0.434 928 HB2 SER 129 1HB SER 129 -3.511 -22.987 -0.619 929 HB3 SER 129 2HB SER 129 -2.695 -21.847 0.450 930 HG SER 129 HG SER 129 -1.948 -20.775 -1.234 931 H GLY 130 H GLY 130 -2.889 -24.985 -1.660 932 HA2 GLY 130 1HA GLY 130 -0.759 -25.755 -3.494 933 HA3 GLY 130 2HA GLY 130 -2.368 -26.457 -3.411 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -21.531 7.514 -14.317 2 HA2 GLY 1 1HA GLY 1 -21.420 8.544 -17.028 3 HA3 GLY 1 2HA GLY 1 -22.871 8.223 -16.090 4 H SER 2 H SER 2 -22.789 9.740 -13.957 5 HA SER 2 HA SER 2 -23.089 12.394 -15.016 6 HB2 SER 2 1HB SER 2 -23.424 11.283 -12.222 7 HB3 SER 2 2HB SER 2 -23.776 12.953 -12.666 8 HG SER 2 HG SER 2 -25.272 12.072 -14.226 9 H SER 3 H SER 3 -22.230 14.276 -13.645 10 HA SER 3 HA SER 3 -19.511 14.503 -13.933 11 HB2 SER 3 1HB SER 3 -21.446 15.939 -12.129 12 HB3 SER 3 2HB SER 3 -19.731 16.352 -12.137 13 HG SER 3 HG SER 3 -19.888 16.978 -14.239 14 H GLY 4 H GLY 4 -17.754 13.855 -12.851 15 HA2 GLY 4 1HA GLY 4 -17.998 13.063 -10.043 16 HA3 GLY 4 2HA GLY 4 -17.452 11.844 -11.185 17 H SER 5 H SER 5 -15.477 12.290 -12.393 18 HA SER 5 HA SER 5 -13.741 14.364 -11.324 19 HB2 SER 5 1HB SER 5 -12.046 12.929 -10.512 20 HB3 SER 5 2HB SER 5 -13.545 12.257 -9.869 21 HG SER 5 HG SER 5 -11.759 11.179 -11.639 22 H SER 6 H SER 6 -12.873 15.296 -13.041 23 HA SER 6 HA SER 6 -12.086 13.601 -15.320 24 HB2 SER 6 1HB SER 6 -13.340 16.352 -15.362 25 HB3 SER 6 2HB SER 6 -12.594 15.600 -16.772 26 HG SER 6 HG SER 6 -14.113 13.792 -16.273 27 H GLY 7 H GLY 7 -10.120 13.995 -16.257 28 HA2 GLY 7 1HA GLY 7 -8.285 15.552 -16.698 29 HA3 GLY 7 2HA GLY 7 -8.509 16.166 -15.067 30 H ALA 8 H ALA 8 -6.108 15.716 -15.130 31 HA ALA 8 HA ALA 8 -4.915 13.258 -15.260 32 HB1 ALA 8 1HB ALA 8 -4.334 15.595 -13.462 33 HB2 ALA 8 2HB ALA 8 -3.309 14.160 -13.514 34 HB3 ALA 8 3HB ALA 8 -3.530 15.139 -14.964 35 H VAL 9 H VAL 9 -4.087 11.883 -13.458 36 HA VAL 9 HA VAL 9 -5.998 11.658 -11.235 37 HB VAL 9 HB VAL 9 -4.991 9.298 -12.829 38 HG11 VAL 9 1HG1 VAL 9 -6.616 9.614 -10.360 39 HG12 VAL 9 2HG1 VAL 9 -7.030 8.306 -11.470 40 HG13 VAL 9 3HG1 VAL 9 -5.411 8.395 -10.774 41 HG21 VAL 9 1HG2 VAL 9 -7.638 9.241 -13.213 42 HG22 VAL 9 2HG2 VAL 9 -7.407 10.985 -13.095 43 HG23 VAL 9 3HG2 VAL 9 -6.528 10.060 -14.312 44 H SER 10 H SER 10 -2.841 10.784 -12.557 45 HA SER 10 HA SER 10 -1.741 9.570 -10.304 46 HB2 SER 10 1HB SER 10 -0.362 11.242 -12.418 47 HB3 SER 10 2HB SER 10 0.459 10.180 -11.274 48 HG SER 10 HG SER 10 -1.509 9.334 -13.137 49 H GLY 11 H GLY 11 -1.257 10.311 -8.349 50 HA2 GLY 11 1HA GLY 11 -1.433 13.155 -7.807 51 HA3 GLY 11 2HA GLY 11 -1.249 11.873 -6.618 52 H LEU 12 H LEU 12 0.749 11.371 -5.860 53 HA LEU 12 HA LEU 12 2.874 13.225 -6.488 54 HB2 LEU 12 1HB LEU 12 2.868 10.892 -4.581 55 HB3 LEU 12 2HB LEU 12 4.064 12.184 -4.652 56 HG LEU 12 HG LEU 12 1.165 12.617 -3.949 57 HD11 LEU 12 1HD1 LEU 12 2.762 11.167 -2.399 58 HD12 LEU 12 2HD1 LEU 12 1.604 12.322 -1.742 59 HD13 LEU 12 3HD1 LEU 12 3.301 12.772 -1.902 60 HD21 LEU 12 1HD2 LEU 12 2.717 14.610 -2.846 61 HD22 LEU 12 2HD2 LEU 12 1.734 14.743 -4.304 62 HD23 LEU 12 3HD2 LEU 12 3.449 14.349 -4.429 63 H TYR 13 H TYR 13 2.167 9.814 -6.954 64 HA TYR 13 HA TYR 13 4.777 9.277 -8.087 65 HB2 TYR 13 1HB TYR 13 2.303 7.563 -7.803 66 HB3 TYR 13 2HB TYR 13 3.818 6.997 -8.497 67 HD1 TYR 13 2HD TYR 13 2.395 8.482 -5.391 68 HD2 TYR 13 1HD TYR 13 5.463 6.091 -7.117 69 HE1 TYR 13 2HE TYR 13 3.201 7.901 -3.141 70 HE2 TYR 13 1HE TYR 13 6.276 5.503 -4.871 71 HH TYR 13 HH TYR 13 4.494 6.102 -2.056 72 H SER 14 H SER 14 5.218 8.820 -10.232 73 HA SER 14 HA SER 14 3.192 9.777 -12.137 74 HB2 SER 14 1HB SER 14 4.940 10.491 -13.558 75 HB3 SER 14 2HB SER 14 5.474 10.938 -11.938 76 HG SER 14 HG SER 14 6.440 8.619 -12.146 77 H SER 15 H SER 15 2.346 8.417 -13.574 78 HA SER 15 HA SER 15 2.378 5.746 -13.527 79 HB2 SER 15 1HB SER 15 2.318 7.432 -16.041 80 HB3 SER 15 2HB SER 15 1.828 5.740 -15.957 81 HG SER 15 HG SER 15 0.688 7.724 -14.296 82 H SER 16 H SER 16 4.821 7.738 -15.102 83 HA SER 16 HA SER 16 6.250 5.909 -16.542 84 HB2 SER 16 1HB SER 16 7.059 8.325 -14.971 85 HB3 SER 16 2HB SER 16 8.312 7.306 -15.678 86 HG SER 16 HG SER 16 7.896 8.244 -17.497 87 H ASP 17 H ASP 17 6.712 6.633 -13.085 88 HA ASP 17 HA ASP 17 8.739 4.892 -12.483 89 HB2 ASP 17 1HB ASP 17 7.831 4.813 -10.192 90 HB3 ASP 17 2HB ASP 17 7.807 6.448 -10.847 91 H ASP 18 H ASP 18 8.476 2.843 -11.095 92 HA ASP 18 HA ASP 18 7.011 0.928 -12.701 93 HB2 ASP 18 1HB ASP 18 8.915 0.599 -10.376 94 HB3 ASP 18 2HB ASP 18 8.148 -0.749 -11.211 95 H VAL 19 H VAL 19 6.105 2.880 -10.287 96 HA VAL 19 HA VAL 19 4.693 1.007 -8.610 97 HB VAL 19 HB VAL 19 4.650 4.020 -8.763 98 HG11 VAL 19 1HG1 VAL 19 2.671 2.292 -7.674 99 HG12 VAL 19 2HG1 VAL 19 3.508 3.093 -6.342 100 HG13 VAL 19 3HG1 VAL 19 2.752 4.053 -7.615 101 HG21 VAL 19 1HG2 VAL 19 5.521 3.438 -6.303 102 HG22 VAL 19 2HG2 VAL 19 6.079 1.994 -7.147 103 HG23 VAL 19 3HG2 VAL 19 6.601 3.589 -7.688 104 H ILE 20 H ILE 20 2.716 0.224 -8.930 105 HA ILE 20 HA ILE 20 1.212 1.053 -11.257 106 HB ILE 20 HB ILE 20 0.661 -1.082 -9.195 107 HG12 ILE 20 1HG1 ILE 20 1.438 -1.411 -12.093 108 HG13 ILE 20 2HG1 ILE 20 2.625 -1.347 -10.795 109 HG21 ILE 20 1HG2 ILE 20 -1.384 -0.094 -10.272 110 HG22 ILE 20 2HG2 ILE 20 -0.765 -0.682 -11.814 111 HG23 ILE 20 3HG2 ILE 20 -1.159 -1.824 -10.529 112 HD11 ILE 20 1HD1 ILE 20 1.649 -3.318 -9.779 113 HD12 ILE 20 2HD1 ILE 20 0.409 -3.367 -11.033 114 HD13 ILE 20 3HD1 ILE 20 2.100 -3.636 -11.454 115 H GLU 21 H GLU 21 -0.290 2.578 -11.233 116 HA GLU 21 HA GLU 21 -1.145 3.864 -8.863 117 HB2 GLU 21 1HB GLU 21 -1.027 4.804 -11.253 118 HB3 GLU 21 2HB GLU 21 -2.586 4.030 -11.499 119 HG2 GLU 21 1HG GLU 21 -3.368 5.321 -9.451 120 HG3 GLU 21 2HG GLU 21 -1.890 6.265 -9.628 121 H LEU 22 H LEU 22 -2.178 2.536 -7.438 122 HA LEU 22 HA LEU 22 -4.334 0.814 -8.301 123 HB2 LEU 22 1HB LEU 22 -3.139 1.435 -5.611 124 HB3 LEU 22 2HB LEU 22 -4.533 0.376 -5.818 125 HG LEU 22 HG LEU 22 -1.819 -0.115 -7.042 126 HD11 LEU 22 1HD1 LEU 22 -3.074 -1.324 -4.582 127 HD12 LEU 22 2HD1 LEU 22 -1.692 -0.230 -4.615 128 HD13 LEU 22 3HD1 LEU 22 -1.561 -1.837 -5.328 129 HD21 LEU 22 1HD2 LEU 22 -2.659 -2.283 -7.588 130 HD22 LEU 22 2HD2 LEU 22 -3.805 -1.091 -8.202 131 HD23 LEU 22 3HD2 LEU 22 -4.164 -1.979 -6.720 132 H THR 23 H THR 23 -6.475 1.174 -8.100 133 HA THR 23 HA THR 23 -7.362 3.575 -6.656 134 HB THR 23 HB THR 23 -8.457 4.509 -8.411 135 HG1 THR 23 1HG THR 23 -9.946 3.138 -9.094 136 HG21 THR 23 1HG2 THR 23 -6.786 2.866 -10.261 137 HG22 THR 23 2HG2 THR 23 -5.987 3.895 -9.072 138 HG23 THR 23 3HG2 THR 23 -7.083 4.604 -10.257 139 HA PRO 24 HA PRO 24 -10.633 1.135 -5.042 140 HB2 PRO 24 1HB PRO 24 -12.739 2.848 -5.075 141 HB3 PRO 24 2HB PRO 24 -11.384 3.014 -3.953 142 HG2 PRO 24 1HG PRO 24 -11.902 4.457 -6.524 143 HG3 PRO 24 2HG PRO 24 -11.320 5.100 -4.977 144 HD2 PRO 24 1HD PRO 24 -9.662 4.573 -7.052 145 HD3 PRO 24 2HD PRO 24 -9.156 4.405 -5.359 146 H SER 25 H SER 25 -10.311 1.434 -8.150 147 HA SER 25 HA SER 25 -12.969 0.336 -8.801 148 HB2 SER 25 1HB SER 25 -11.194 2.211 -10.320 149 HB3 SER 25 2HB SER 25 -12.253 1.118 -11.211 150 HG SER 25 HG SER 25 -13.990 1.988 -9.897 151 H ASN 26 H ASN 26 -9.543 -0.055 -8.925 152 HA ASN 26 HA ASN 26 -9.910 -2.637 -10.297 153 HB2 ASN 26 1HB ASN 26 -7.343 -2.146 -10.872 154 HB3 ASN 26 2HB ASN 26 -8.659 -1.609 -11.911 155 HD21 ASN 26 1HD2 ASN 26 -6.034 -0.679 -9.978 156 HD22 ASN 26 2HD2 ASN 26 -6.234 1.032 -10.111 157 H PHE 27 H PHE 27 -8.770 -0.947 -7.575 158 HA PHE 27 HA PHE 27 -6.662 -2.221 -6.529 159 HB2 PHE 27 1HB PHE 27 -8.088 -0.532 -5.350 160 HB3 PHE 27 2HB PHE 27 -9.216 -1.826 -4.960 161 HD1 PHE 27 1HD PHE 27 -8.110 -3.912 -3.777 162 HD2 PHE 27 2HD PHE 27 -6.489 0.023 -3.803 163 HE1 PHE 27 1HE PHE 27 -6.809 -4.439 -1.756 164 HE2 PHE 27 2HE PHE 27 -5.184 -0.497 -1.783 165 HZ PHE 27 HZ PHE 27 -5.343 -2.730 -0.757 166 H ASN 28 H ASN 28 -9.778 -3.659 -7.116 167 HA ASN 28 HA ASN 28 -9.129 -6.082 -5.659 168 HB2 ASN 28 1HB ASN 28 -11.394 -5.725 -5.473 169 HB3 ASN 28 2HB ASN 28 -11.525 -5.025 -7.084 170 HD21 ASN 28 1HD2 ASN 28 -11.779 -7.843 -5.187 171 HD22 ASN 28 2HD2 ASN 28 -12.209 -8.937 -6.453 172 H ARG 29 H ARG 29 -9.541 -5.050 -9.022 173 HA ARG 29 HA ARG 29 -8.926 -7.650 -10.080 174 HB2 ARG 29 1HB ARG 29 -9.458 -4.945 -11.240 175 HB3 ARG 29 2HB ARG 29 -8.698 -6.171 -12.247 176 HG2 ARG 29 1HG ARG 29 -11.248 -6.708 -10.766 177 HG3 ARG 29 2HG ARG 29 -11.232 -5.947 -12.358 178 HD2 ARG 29 1HD ARG 29 -9.664 -8.004 -12.919 179 HD3 ARG 29 2HD ARG 29 -10.532 -8.725 -11.565 180 HE ARG 29 HE ARG 29 -12.322 -7.536 -13.424 181 HH11 ARG 29 2HH1 ARG 29 -10.321 -10.336 -12.899 182 HH12 ARG 29 1HH1 ARG 29 -11.286 -11.374 -13.896 183 HH21 ARG 29 2HH2 ARG 29 -13.600 -8.892 -14.739 184 HH22 ARG 29 1HH2 ARG 29 -13.150 -10.551 -14.943 185 H GLU 30 H GLU 30 -7.070 -5.285 -8.689 186 HA GLU 30 HA GLU 30 -4.713 -5.921 -10.330 187 HB2 GLU 30 1HB GLU 30 -5.513 -3.554 -8.712 188 HB3 GLU 30 2HB GLU 30 -3.800 -3.940 -8.795 189 HG2 GLU 30 1HG GLU 30 -5.503 -3.652 -11.247 190 HG3 GLU 30 2HG GLU 30 -4.687 -2.286 -10.489 191 H VAL 31 H VAL 31 -5.772 -5.574 -6.956 192 HA VAL 31 HA VAL 31 -3.440 -7.136 -6.095 193 HB VAL 31 HB VAL 31 -5.408 -5.545 -4.444 194 HG11 VAL 31 1HG1 VAL 31 -2.972 -7.143 -3.699 195 HG12 VAL 31 2HG1 VAL 31 -3.640 -5.883 -2.659 196 HG13 VAL 31 3HG1 VAL 31 -4.614 -7.294 -3.073 197 HG21 VAL 31 1HG2 VAL 31 -2.553 -4.801 -4.604 198 HG22 VAL 31 2HG2 VAL 31 -3.528 -4.494 -6.040 199 HG23 VAL 31 3HG2 VAL 31 -3.987 -3.781 -4.494 200 H ILE 32 H ILE 32 -6.865 -6.892 -5.116 201 HA ILE 32 HA ILE 32 -7.100 -9.311 -3.836 202 HB ILE 32 HB ILE 32 -9.238 -8.043 -5.551 203 HG12 ILE 32 1HG1 ILE 32 -8.254 -6.466 -3.917 204 HG13 ILE 32 2HG1 ILE 32 -9.928 -6.857 -3.539 205 HG21 ILE 32 1HG2 ILE 32 -9.712 -10.353 -4.846 206 HG22 ILE 32 2HG2 ILE 32 -9.480 -9.872 -3.166 207 HG23 ILE 32 3HG2 ILE 32 -10.808 -9.188 -4.104 208 HD11 ILE 32 1HD1 ILE 32 -7.514 -8.071 -2.215 209 HD12 ILE 32 2HD1 ILE 32 -8.522 -6.787 -1.546 210 HD13 ILE 32 3HD1 ILE 32 -9.201 -8.393 -1.813 211 H GLN 33 H GLN 33 -7.089 -8.665 -7.274 212 HA GLN 33 HA GLN 33 -7.679 -11.474 -7.855 213 HB2 GLN 33 1HB GLN 33 -7.561 -9.013 -9.592 214 HB3 GLN 33 2HB GLN 33 -7.699 -10.636 -10.256 215 HG2 GLN 33 1HG GLN 33 -9.694 -8.989 -8.829 216 HG3 GLN 33 2HG GLN 33 -9.892 -10.091 -10.191 217 HE21 GLN 33 1HE2 GLN 33 -10.664 -9.634 -7.061 218 HE22 GLN 33 2HE2 GLN 33 -10.919 -11.270 -6.569 219 H SER 34 H SER 34 -5.149 -10.618 -6.671 220 HA SER 34 HA SER 34 -3.345 -11.556 -8.801 221 HB2 SER 34 1HB SER 34 -2.863 -9.214 -8.461 222 HB3 SER 34 2HB SER 34 -2.797 -9.435 -6.713 223 HG SER 34 HG SER 34 -1.095 -11.006 -8.255 224 H ASP 35 H ASP 35 -3.376 -13.679 -8.114 225 HA ASP 35 HA ASP 35 -3.292 -14.700 -5.575 226 HB2 ASP 35 1HB ASP 35 -3.373 -15.919 -7.856 227 HB3 ASP 35 2HB ASP 35 -1.614 -15.914 -7.756 228 H GLY 36 H GLY 36 -0.786 -13.027 -7.264 229 HA2 GLY 36 1HA GLY 36 1.374 -13.982 -5.619 230 HA3 GLY 36 2HA GLY 36 1.444 -12.654 -6.767 231 H LEU 37 H LEU 37 2.804 -11.786 -4.951 232 HA LEU 37 HA LEU 37 1.316 -10.809 -2.655 233 HB2 LEU 37 1HB LEU 37 3.800 -11.671 -2.794 234 HB3 LEU 37 2HB LEU 37 4.123 -9.996 -3.237 235 HG LEU 37 HG LEU 37 2.891 -9.390 -1.068 236 HD11 LEU 37 1HD1 LEU 37 3.727 -11.969 0.058 237 HD12 LEU 37 2HD1 LEU 37 2.303 -12.031 -0.979 238 HD13 LEU 37 3HD1 LEU 37 2.324 -10.966 0.426 239 HD21 LEU 37 1HD2 LEU 37 5.267 -10.703 -0.105 240 HD22 LEU 37 2HD2 LEU 37 4.944 -8.983 -0.321 241 HD23 LEU 37 3HD2 LEU 37 5.562 -9.940 -1.667 242 H TRP 38 H TRP 38 1.018 -8.626 -2.149 243 HA TRP 38 HA TRP 38 1.607 -6.675 -4.255 244 HB2 TRP 38 1HB TRP 38 -1.056 -7.585 -3.393 245 HB3 TRP 38 2HB TRP 38 -0.860 -5.835 -3.433 246 HD1 TRP 38 HD TRP 38 -1.050 -8.882 -5.710 247 HE1 TRP 38 1HE TRP 38 -1.279 -8.088 -8.148 248 HE3 TRP 38 3HE TRP 38 -0.241 -3.882 -5.014 249 HZ2 TRP 38 2HZ TRP 38 -1.135 -5.663 -9.585 250 HZ3 TRP 38 3HZ TRP 38 -0.303 -2.394 -6.973 251 HH2 TRP 38 HH TRP 38 -0.741 -3.268 -9.210 252 H LEU 39 H LEU 39 2.318 -4.776 -3.492 253 HA LEU 39 HA LEU 39 2.090 -4.304 -0.593 254 HB2 LEU 39 1HB LEU 39 4.290 -3.927 -2.538 255 HB3 LEU 39 2HB LEU 39 4.125 -2.709 -1.275 256 HG LEU 39 HG LEU 39 4.425 -5.664 -0.749 257 HD11 LEU 39 1HD1 LEU 39 6.661 -4.012 0.018 258 HD12 LEU 39 2HD1 LEU 39 6.369 -3.926 -1.718 259 HD13 LEU 39 3HD1 LEU 39 6.629 -5.489 -0.945 260 HD21 LEU 39 1HD2 LEU 39 4.297 -3.213 0.970 261 HD22 LEU 39 2HD2 LEU 39 5.142 -4.662 1.516 262 HD23 LEU 39 3HD2 LEU 39 3.422 -4.736 1.132 263 H VAL 40 H VAL 40 0.349 -2.994 -0.410 264 HA VAL 40 HA VAL 40 0.155 -0.653 -2.168 265 HB VAL 40 HB VAL 40 -1.905 -1.630 -0.191 266 HG11 VAL 40 1HG1 VAL 40 -2.712 0.417 -0.649 267 HG12 VAL 40 2HG1 VAL 40 -1.730 0.590 -2.105 268 HG13 VAL 40 3HG1 VAL 40 -3.236 -0.325 -2.160 269 HG21 VAL 40 1HG2 VAL 40 -3.050 -2.657 -2.089 270 HG22 VAL 40 2HG2 VAL 40 -1.714 -2.206 -3.147 271 HG23 VAL 40 3HG2 VAL 40 -1.455 -3.371 -1.848 272 H GLU 41 H GLU 41 0.716 1.295 -1.461 273 HA GLU 41 HA GLU 41 0.950 1.711 1.447 274 HB2 GLU 41 1HB GLU 41 3.141 1.868 0.694 275 HB3 GLU 41 2HB GLU 41 2.670 2.595 -0.836 276 HG2 GLU 41 1HG GLU 41 2.313 4.701 0.158 277 HG3 GLU 41 2HG GLU 41 2.381 4.026 1.785 278 H PHE 42 H PHE 42 -0.371 3.171 2.292 279 HA PHE 42 HA PHE 42 -1.888 4.916 0.525 280 HB2 PHE 42 1HB PHE 42 -2.147 4.417 3.498 281 HB3 PHE 42 2HB PHE 42 -3.248 5.392 2.529 282 HD1 PHE 42 1HD PHE 42 -1.936 1.961 2.983 283 HD2 PHE 42 2HD PHE 42 -5.017 4.406 1.358 284 HE1 PHE 42 1HE PHE 42 -3.258 -0.051 2.474 285 HE2 PHE 42 2HE PHE 42 -6.345 2.398 0.847 286 HZ PHE 42 HZ PHE 42 -5.466 0.166 1.405 287 H TYR 43 H TYR 43 -0.751 6.682 -0.043 288 HA TYR 43 HA TYR 43 0.614 8.195 2.080 289 HB2 TYR 43 1HB TYR 43 2.023 9.143 0.404 290 HB3 TYR 43 2HB TYR 43 1.961 7.412 0.091 291 HD1 TYR 43 1HD TYR 43 0.444 10.643 -0.968 292 HD2 TYR 43 2HD TYR 43 1.360 6.624 -2.022 293 HE1 TYR 43 1HE TYR 43 -0.267 11.093 -3.279 294 HE2 TYR 43 2HE TYR 43 0.653 7.063 -4.336 295 HH TYR 43 HH TYR 43 -0.886 10.071 -5.248 296 H ALA 44 H ALA 44 0.709 10.648 1.453 297 HA ALA 44 HA ALA 44 -1.927 11.534 0.504 298 HB1 ALA 44 1HB ALA 44 -1.562 13.347 2.416 299 HB2 ALA 44 2HB ALA 44 -2.393 11.819 2.708 300 HB3 ALA 44 3HB ALA 44 -0.698 12.000 3.159 301 HA PRO 45 HA PRO 45 0.753 14.146 -1.913 302 HB2 PRO 45 1HB PRO 45 -1.236 15.444 -3.228 303 HB3 PRO 45 2HB PRO 45 -0.726 13.802 -3.638 304 HG2 PRO 45 1HG PRO 45 -3.058 14.707 -1.992 305 HG3 PRO 45 2HG PRO 45 -2.985 13.434 -3.225 306 HD2 PRO 45 1HD PRO 45 -2.913 12.898 -0.572 307 HD3 PRO 45 2HD PRO 45 -2.062 11.903 -1.771 308 H TRP 46 H TRP 46 -1.039 14.940 0.721 309 HA TRP 46 HA TRP 46 -0.441 17.814 0.453 310 HB2 TRP 46 1HB TRP 46 -2.236 18.174 2.150 311 HB3 TRP 46 2HB TRP 46 -2.824 17.488 0.638 312 HD1 TRP 46 HD TRP 46 -4.287 15.389 0.850 313 HE1 TRP 46 1HE TRP 46 -4.837 13.719 2.730 314 HE3 TRP 46 3HE TRP 46 -0.994 17.043 4.393 315 HZ2 TRP 46 2HZ TRP 46 -3.987 13.175 5.367 316 HZ3 TRP 46 3HZ TRP 46 -0.925 15.894 6.568 317 HH2 TRP 46 HH TRP 46 -2.392 14.001 7.043 318 H CYS 47 H CYS 47 0.142 14.932 2.199 319 HA CYS 47 HA CYS 47 1.029 16.189 4.628 320 HB2 CYS 47 1HB CYS 47 0.219 13.671 4.043 321 HB3 CYS 47 2HB CYS 47 1.964 13.453 4.001 322 HG CYS 47 HG CYS 47 2.398 14.283 6.607 323 H GLY 48 H GLY 48 3.351 15.335 5.383 324 HA2 GLY 48 1HA GLY 48 5.211 16.335 3.326 325 HA3 GLY 48 2HA GLY 48 5.470 16.447 5.061 326 H HIS 49 H HIS 49 5.470 14.189 6.162 327 HA HIS 49 HA HIS 49 7.715 12.804 5.363 328 HB2 HIS 49 1HB HIS 49 6.729 10.900 6.787 329 HB3 HIS 49 2HB HIS 49 7.016 12.448 7.576 330 HD1 HIS 49 1HD HIS 49 5.215 12.497 9.301 331 HD2 HIS 49 2HD HIS 49 3.770 11.481 5.540 332 HE1 HIS 49 1HE HIS 49 2.712 12.434 9.537 333 HE2 HIS 49 2HE HIS 49 1.864 11.734 7.271 334 H CYS 50 H CYS 50 4.598 12.701 4.006 335 HA CYS 50 HA CYS 50 4.890 10.055 2.858 336 HB2 CYS 50 1HB CYS 50 2.771 12.186 2.694 337 HB3 CYS 50 2HB CYS 50 2.738 10.779 1.638 338 HG CYS 50 HG CYS 50 2.054 8.975 3.436 339 H GLN 51 H GLN 51 4.786 13.412 1.696 340 HA GLN 51 HA GLN 51 5.137 12.901 -1.019 341 HB2 GLN 51 1HB GLN 51 6.086 15.264 0.610 342 HB3 GLN 51 2HB GLN 51 6.023 15.218 -1.147 343 HG2 GLN 51 1HG GLN 51 3.649 15.067 -1.137 344 HG3 GLN 51 2HG GLN 51 3.616 14.828 0.609 345 HE21 GLN 51 1HE2 GLN 51 2.038 16.677 0.171 346 HE22 GLN 51 2HE2 GLN 51 2.687 18.272 0.311 347 H ARG 52 H ARG 52 7.374 12.691 1.595 348 HA ARG 52 HA ARG 52 9.700 12.727 -0.154 349 HB2 ARG 52 1HB ARG 52 10.989 12.933 1.737 350 HB3 ARG 52 2HB ARG 52 9.487 13.651 2.305 351 HG2 ARG 52 1HG ARG 52 8.881 11.612 3.430 352 HG3 ARG 52 2HG ARG 52 10.292 10.788 2.764 353 HD2 ARG 52 1HD ARG 52 11.774 12.228 4.006 354 HD3 ARG 52 2HD ARG 52 10.414 13.193 4.577 355 HE ARG 52 HE ARG 52 10.008 11.610 6.180 356 HH11 ARG 52 2HH1 ARG 52 12.137 10.277 3.769 357 HH12 ARG 52 1HH1 ARG 52 12.459 8.830 4.665 358 HH21 ARG 52 2HH2 ARG 52 10.424 9.708 7.370 359 HH22 ARG 52 1HH2 ARG 52 11.483 8.507 6.712 360 H LEU 53 H LEU 53 7.427 10.498 0.867 361 HA LEU 53 HA LEU 53 9.256 8.227 0.871 362 HB2 LEU 53 1HB LEU 53 7.443 8.351 2.533 363 HB3 LEU 53 2HB LEU 53 6.263 8.316 1.224 364 HG LEU 53 HG LEU 53 6.957 6.054 0.640 365 HD11 LEU 53 1HD1 LEU 53 9.202 6.716 2.327 366 HD12 LEU 53 2HD1 LEU 53 9.012 5.400 1.169 367 HD13 LEU 53 3HD1 LEU 53 8.448 5.203 2.828 368 HD21 LEU 53 1HD2 LEU 53 5.244 6.586 2.463 369 HD22 LEU 53 2HD2 LEU 53 6.498 6.103 3.606 370 HD23 LEU 53 3HD2 LEU 53 5.901 4.950 2.411 371 H THR 54 H THR 54 7.939 10.041 -1.449 372 HA THR 54 HA THR 54 6.690 8.201 -3.185 373 HB THR 54 HB THR 54 8.222 10.433 -4.398 374 HG1 THR 54 1HG THR 54 7.163 11.992 -3.355 375 HG21 THR 54 1HG2 THR 54 5.390 10.467 -4.832 376 HG22 THR 54 2HG2 THR 54 5.995 8.822 -5.035 377 HG23 THR 54 3HG2 THR 54 6.685 10.139 -5.983 378 HA PRO 55 HA PRO 55 11.059 7.839 -5.259 379 HB2 PRO 55 1HB PRO 55 13.177 8.632 -3.757 380 HB3 PRO 55 2HB PRO 55 12.316 9.719 -4.852 381 HG2 PRO 55 1HG PRO 55 12.048 9.415 -1.886 382 HG3 PRO 55 2HG PRO 55 12.101 10.897 -2.858 383 HD2 PRO 55 1HD PRO 55 9.786 9.849 -1.922 384 HD3 PRO 55 2HD PRO 55 9.882 10.729 -3.461 385 H GLU 56 H GLU 56 10.981 7.484 -1.732 386 HA GLU 56 HA GLU 56 12.708 5.246 -1.612 387 HB2 GLU 56 1HB GLU 56 10.605 6.268 0.296 388 HB3 GLU 56 2HB GLU 56 11.657 4.908 0.660 389 HG2 GLU 56 1HG GLU 56 12.411 7.782 0.254 390 HG3 GLU 56 2HG GLU 56 12.626 6.783 1.691 391 H TRP 57 H TRP 57 9.222 5.588 -1.957 392 HA TRP 57 HA TRP 57 8.679 2.790 -1.692 393 HB2 TRP 57 1HB TRP 57 7.039 4.666 -1.234 394 HB3 TRP 57 2HB TRP 57 6.903 4.866 -2.979 395 HD1 TRP 57 HD TRP 57 4.780 3.751 -3.840 396 HE1 TRP 57 1HE TRP 57 3.445 1.622 -3.283 397 HE3 TRP 57 3HE TRP 57 7.648 1.977 0.002 398 HZ2 TRP 57 2HZ TRP 57 3.589 -0.526 -1.457 399 HZ3 TRP 57 3HZ TRP 57 6.980 -0.121 1.101 400 HH2 TRP 57 HH TRP 57 4.992 -1.345 0.386 401 H LYS 58 H LYS 58 9.006 5.035 -4.411 402 HA LYS 58 HA LYS 58 8.286 3.329 -6.484 403 HB2 LYS 58 1HB LYS 58 10.052 5.727 -6.271 404 HB3 LYS 58 2HB LYS 58 10.092 4.789 -7.758 405 HG2 LYS 58 1HG LYS 58 7.795 5.192 -8.178 406 HG3 LYS 58 2HG LYS 58 7.551 5.863 -6.564 407 HD2 LYS 58 1HD LYS 58 9.587 7.158 -8.291 408 HD3 LYS 58 2HD LYS 58 7.891 7.398 -8.714 409 HE2 LYS 58 1HE LYS 58 7.548 8.033 -6.268 410 HE3 LYS 58 2HE LYS 58 9.306 8.124 -6.163 411 HZ1 LYS 58 1HZ LYS 58 9.175 9.707 -8.091 412 HZ2 LYS 58 2HZ LYS 58 8.552 10.288 -6.630 413 HZ3 LYS 58 3HZ LYS 58 7.502 9.762 -7.847 414 H LYS 59 H LYS 59 11.520 3.911 -5.115 415 HA LYS 59 HA LYS 59 13.057 2.304 -6.701 416 HB2 LYS 59 1HB LYS 59 13.181 3.026 -3.807 417 HB3 LYS 59 2HB LYS 59 14.282 1.794 -4.408 418 HG2 LYS 59 1HG LYS 59 15.038 3.423 -6.141 419 HG3 LYS 59 2HG LYS 59 14.060 4.649 -5.330 420 HD2 LYS 59 1HD LYS 59 16.013 3.071 -3.722 421 HD3 LYS 59 2HD LYS 59 16.616 4.358 -4.769 422 HE2 LYS 59 1HE LYS 59 15.198 5.972 -3.663 423 HE3 LYS 59 2HE LYS 59 14.461 4.703 -2.687 424 HZ1 LYS 59 1HZ LYS 59 16.645 6.211 -2.017 425 HZ2 LYS 59 2HZ LYS 59 17.301 4.711 -2.441 426 HZ3 LYS 59 3HZ LYS 59 16.119 4.807 -1.235 427 H ALA 60 H ALA 60 11.217 1.274 -3.836 428 HA ALA 60 HA ALA 60 11.926 -1.437 -3.926 429 HB1 ALA 60 1HB ALA 60 10.392 -1.758 -2.257 430 HB2 ALA 60 2HB ALA 60 10.641 -0.017 -2.126 431 HB3 ALA 60 3HB ALA 60 9.222 -0.644 -2.965 432 H ALA 61 H ALA 61 9.367 0.361 -5.545 433 HA ALA 61 HA ALA 61 7.949 -1.870 -6.549 434 HB1 ALA 61 1HB ALA 61 6.754 0.126 -6.563 435 HB2 ALA 61 2HB ALA 61 8.072 1.023 -7.318 436 HB3 ALA 61 3HB ALA 61 7.137 -0.134 -8.265 437 H THR 62 H THR 62 10.670 -0.002 -7.773 438 HA THR 62 HA THR 62 10.710 -1.060 -10.386 439 HB THR 62 HB THR 62 13.049 -0.027 -8.770 440 HG1 THR 62 1HG THR 62 11.514 1.416 -10.673 441 HG21 THR 62 1HG2 THR 62 12.947 0.293 -11.702 442 HG22 THR 62 2HG2 THR 62 13.198 -1.352 -11.118 443 HG23 THR 62 3HG2 THR 62 14.312 -0.069 -10.647 444 H ALA 63 H ALA 63 12.326 -2.067 -7.397 445 HA ALA 63 HA ALA 63 13.708 -4.246 -8.648 446 HB1 ALA 63 1HB ALA 63 14.694 -3.214 -6.717 447 HB2 ALA 63 2HB ALA 63 13.265 -3.567 -5.745 448 HB3 ALA 63 3HB ALA 63 14.288 -4.884 -6.320 449 H LEU 64 H LEU 64 10.922 -3.990 -6.449 450 HA LEU 64 HA LEU 64 10.356 -6.817 -6.700 451 HB2 LEU 64 1HB LEU 64 8.545 -4.791 -5.437 452 HB3 LEU 64 2HB LEU 64 8.710 -6.507 -5.068 453 HG LEU 64 HG LEU 64 10.984 -4.634 -4.539 454 HD11 LEU 64 1HD1 LEU 64 8.491 -4.971 -2.899 455 HD12 LEU 64 2HD1 LEU 64 9.276 -3.480 -3.420 456 HD13 LEU 64 3HD1 LEU 64 10.030 -4.488 -2.185 457 HD21 LEU 64 1HD2 LEU 64 11.750 -6.719 -4.087 458 HD22 LEU 64 2HD2 LEU 64 10.140 -7.364 -3.764 459 HD23 LEU 64 3HD2 LEU 64 10.968 -6.402 -2.538 460 H LYS 65 H LYS 65 10.099 -4.647 -8.916 461 HA LYS 65 HA LYS 65 7.494 -4.276 -9.706 462 HB2 LYS 65 1HB LYS 65 9.113 -3.201 -11.007 463 HB3 LYS 65 2HB LYS 65 10.031 -4.680 -11.258 464 HG2 LYS 65 1HG LYS 65 8.520 -5.477 -12.863 465 HG3 LYS 65 2HG LYS 65 7.280 -4.312 -12.395 466 HD2 LYS 65 1HD LYS 65 8.093 -3.356 -14.327 467 HD3 LYS 65 2HD LYS 65 9.081 -2.553 -13.104 468 HE2 LYS 65 1HE LYS 65 10.972 -3.725 -13.668 469 HE3 LYS 65 2HE LYS 65 10.063 -5.104 -14.285 470 HZ1 LYS 65 1HZ LYS 65 10.079 -2.478 -15.653 471 HZ2 LYS 65 2HZ LYS 65 9.586 -3.973 -16.270 472 HZ3 LYS 65 3HZ LYS 65 11.227 -3.677 -15.984 473 H ASP 66 H ASP 66 9.583 -6.982 -10.732 474 HA ASP 66 HA ASP 66 7.251 -8.442 -11.674 475 HB2 ASP 66 1HB ASP 66 10.216 -8.809 -11.902 476 HB3 ASP 66 2HB ASP 66 9.150 -10.184 -12.179 477 H VAL 67 H VAL 67 9.197 -8.236 -8.877 478 HA VAL 67 HA VAL 67 8.684 -10.921 -7.947 479 HB VAL 67 HB VAL 67 9.590 -8.748 -6.109 480 HG11 VAL 67 1HG1 VAL 67 9.354 -10.905 -5.137 481 HG12 VAL 67 2HG1 VAL 67 10.226 -11.670 -6.467 482 HG13 VAL 67 3HG1 VAL 67 11.082 -10.617 -5.339 483 HG21 VAL 67 1HG2 VAL 67 11.934 -9.162 -6.931 484 HG22 VAL 67 2HG2 VAL 67 11.220 -9.933 -8.347 485 HG23 VAL 67 3HG2 VAL 67 10.905 -8.229 -8.019 486 H VAL 68 H VAL 68 7.882 -7.722 -6.578 487 HA VAL 68 HA VAL 68 5.293 -8.838 -5.724 488 HB VAL 68 HB VAL 68 7.009 -6.941 -4.116 489 HG11 VAL 68 1HG1 VAL 68 5.206 -7.663 -2.361 490 HG12 VAL 68 2HG1 VAL 68 4.869 -6.362 -3.504 491 HG13 VAL 68 3HG1 VAL 68 4.232 -7.981 -3.796 492 HG21 VAL 68 1HG2 VAL 68 6.451 -9.883 -3.839 493 HG22 VAL 68 2HG2 VAL 68 8.013 -9.074 -3.960 494 HG23 VAL 68 3HG2 VAL 68 7.039 -8.895 -2.501 495 H LYS 69 H LYS 69 3.698 -7.796 -6.698 496 HA LYS 69 HA LYS 69 3.948 -5.443 -8.169 497 HB2 LYS 69 1HB LYS 69 1.546 -6.817 -6.975 498 HB3 LYS 69 2HB LYS 69 1.400 -5.371 -7.964 499 HG2 LYS 69 1HG LYS 69 2.945 -7.665 -9.048 500 HG3 LYS 69 2HG LYS 69 1.185 -7.780 -8.999 501 HD2 LYS 69 1HD LYS 69 0.933 -5.859 -10.368 502 HD3 LYS 69 2HD LYS 69 2.638 -5.433 -10.201 503 HE2 LYS 69 1HE LYS 69 2.188 -6.416 -12.387 504 HE3 LYS 69 2HE LYS 69 3.266 -7.441 -11.441 505 HZ1 LYS 69 1HZ LYS 69 0.409 -7.992 -11.250 506 HZ2 LYS 69 2HZ LYS 69 1.719 -9.062 -11.261 507 HZ3 LYS 69 3HZ LYS 69 1.165 -8.389 -12.711 508 H VAL 70 H VAL 70 4.817 -3.704 -7.142 509 HA VAL 70 HA VAL 70 3.686 -2.817 -4.603 510 HB VAL 70 HB VAL 70 5.990 -1.691 -6.203 511 HG11 VAL 70 1HG1 VAL 70 4.824 -0.040 -4.760 512 HG12 VAL 70 2HG1 VAL 70 5.168 -1.069 -3.369 513 HG13 VAL 70 3HG1 VAL 70 6.493 -0.342 -4.279 514 HG21 VAL 70 1HG2 VAL 70 6.730 -2.790 -3.673 515 HG22 VAL 70 2HG2 VAL 70 5.826 -3.999 -4.585 516 HG23 VAL 70 3HG2 VAL 70 7.266 -3.261 -5.286 517 H GLY 71 H GLY 71 1.748 -1.853 -4.937 518 HA2 GLY 71 1HA GLY 71 1.455 0.059 -7.130 519 HA3 GLY 71 2HA GLY 71 0.162 -0.560 -6.113 520 H ALA 72 H ALA 72 -0.559 1.639 -5.910 521 HA ALA 72 HA ALA 72 0.420 2.885 -3.543 522 HB1 ALA 72 1HB ALA 72 0.986 4.232 -6.176 523 HB2 ALA 72 2HB ALA 72 0.986 5.076 -4.627 524 HB3 ALA 72 3HB ALA 72 2.141 3.776 -4.923 525 H VAL 73 H VAL 73 -1.338 3.628 -2.570 526 HA VAL 73 HA VAL 73 -3.560 4.620 -4.237 527 HB VAL 73 HB VAL 73 -3.558 2.882 -1.813 528 HG11 VAL 73 1HG1 VAL 73 -5.764 4.811 -2.521 529 HG12 VAL 73 2HG1 VAL 73 -5.925 3.469 -1.386 530 HG13 VAL 73 3HG1 VAL 73 -4.810 4.792 -1.038 531 HG21 VAL 73 1HG2 VAL 73 -5.549 1.944 -3.112 532 HG22 VAL 73 2HG2 VAL 73 -5.018 2.982 -4.436 533 HG23 VAL 73 3HG2 VAL 73 -3.947 1.725 -3.816 534 H ASN 74 H ASN 74 -4.063 6.687 -3.969 535 HA ASN 74 HA ASN 74 -2.768 8.287 -1.988 536 HB2 ASN 74 1HB ASN 74 -3.224 9.224 -4.178 537 HB3 ASN 74 2HB ASN 74 -4.952 8.949 -3.974 538 HD21 ASN 74 1HD2 ASN 74 -4.782 11.319 -4.567 539 HD22 ASN 74 2HD2 ASN 74 -4.693 12.434 -3.250 540 H ALA 75 H ALA 75 -3.443 7.524 0.022 541 HA ALA 75 HA ALA 75 -5.923 6.901 0.942 542 HB1 ALA 75 1HB ALA 75 -3.484 7.367 2.107 543 HB2 ALA 75 2HB ALA 75 -4.508 8.602 2.840 544 HB3 ALA 75 3HB ALA 75 -4.958 6.901 2.957 545 H ASP 76 H ASP 76 -4.621 10.139 0.434 546 HA ASP 76 HA ASP 76 -6.695 11.590 1.651 547 HB2 ASP 76 1HB ASP 76 -4.533 12.590 1.027 548 HB3 ASP 76 2HB ASP 76 -4.940 12.401 -0.676 549 H LYS 77 H LYS 77 -6.247 10.549 -1.712 550 HA LYS 77 HA LYS 77 -8.789 11.637 -2.528 551 HB2 LYS 77 1HB LYS 77 -7.087 11.657 -4.185 552 HB3 LYS 77 2HB LYS 77 -6.703 9.962 -3.916 553 HG2 LYS 77 1HG LYS 77 -9.185 9.603 -4.680 554 HG3 LYS 77 2HG LYS 77 -8.952 11.182 -5.434 555 HD2 LYS 77 1HD LYS 77 -6.947 8.990 -5.824 556 HD3 LYS 77 2HD LYS 77 -8.419 9.048 -6.798 557 HE2 LYS 77 1HE LYS 77 -6.582 11.411 -6.524 558 HE3 LYS 77 2HE LYS 77 -6.334 10.170 -7.751 559 HZ1 LYS 77 1HZ LYS 77 -8.611 10.623 -8.542 560 HZ2 LYS 77 2HZ LYS 77 -7.587 11.962 -8.687 561 HZ3 LYS 77 3HZ LYS 77 -8.726 11.900 -7.438 562 H HIS 78 H HIS 78 -7.448 8.328 -2.481 563 HA HIS 78 HA HIS 78 -10.089 7.181 -2.670 564 HB2 HIS 78 1HB HIS 78 -7.448 5.792 -2.176 565 HB3 HIS 78 2HB HIS 78 -8.953 5.036 -2.691 566 HD1 HIS 78 1HD HIS 78 -9.745 6.941 -4.967 567 HD2 HIS 78 2HD HIS 78 -5.902 5.472 -4.391 568 HE1 HIS 78 1HE HIS 78 -8.626 7.085 -7.214 569 HE2 HIS 78 2HE HIS 78 -6.330 6.112 -6.860 570 H GLN 79 H GLN 79 -9.835 8.786 -0.396 571 HA GLN 79 HA GLN 79 -9.098 7.695 1.985 572 HB2 GLN 79 1HB GLN 79 -11.370 9.462 1.191 573 HB3 GLN 79 2HB GLN 79 -11.325 8.839 2.835 574 HG2 GLN 79 1HG GLN 79 -9.214 9.874 3.245 575 HG3 GLN 79 2HG GLN 79 -9.057 10.338 1.551 576 HE21 GLN 79 1HE2 GLN 79 -8.695 12.390 2.947 577 HE22 GLN 79 2HE2 GLN 79 -10.088 13.393 3.140 578 H SER 80 H SER 80 -11.670 6.651 -0.083 579 HA SER 80 HA SER 80 -13.177 5.192 1.815 580 HB2 SER 80 1HB SER 80 -12.917 4.954 -1.185 581 HB3 SER 80 2HB SER 80 -14.021 3.956 -0.239 582 HG SER 80 HG SER 80 -14.013 6.795 -0.348 583 H LEU 81 H LEU 81 -10.487 4.319 -0.306 584 HA LEU 81 HA LEU 81 -10.484 1.557 0.268 585 HB2 LEU 81 1HB LEU 81 -8.304 3.412 -0.665 586 HB3 LEU 81 2HB LEU 81 -8.102 1.667 -0.528 587 HG LEU 81 HG LEU 81 -10.131 3.009 -2.311 588 HD11 LEU 81 1HD1 LEU 81 -8.119 1.680 -3.784 589 HD12 LEU 81 2HD1 LEU 81 -7.315 2.752 -2.638 590 HD13 LEU 81 3HD1 LEU 81 -8.506 3.401 -3.764 591 HD21 LEU 81 1HD2 LEU 81 -9.193 0.261 -2.802 592 HD22 LEU 81 2HD2 LEU 81 -10.807 0.956 -2.948 593 HD23 LEU 81 3HD2 LEU 81 -10.189 0.484 -1.364 594 H GLY 82 H GLY 82 -8.084 3.968 1.357 595 HA2 GLY 82 1HA GLY 82 -6.767 2.537 3.248 596 HA3 GLY 82 2HA GLY 82 -7.105 4.252 3.430 597 H GLY 83 H GLY 83 -9.528 4.630 4.116 598 HA2 GLY 83 1HA GLY 83 -9.814 3.785 6.733 599 HA3 GLY 83 2HA GLY 83 -11.132 4.396 5.744 600 H GLN 84 H GLN 84 -11.065 2.286 3.798 601 HA GLN 84 HA GLN 84 -12.816 0.460 5.006 602 HB2 GLN 84 1HB GLN 84 -12.824 0.925 2.600 603 HB3 GLN 84 2HB GLN 84 -11.244 0.171 2.441 604 HG2 GLN 84 1HG GLN 84 -12.096 -1.968 2.855 605 HG3 GLN 84 2HG GLN 84 -13.606 -1.333 3.505 606 HE21 GLN 84 1HE2 GLN 84 -11.683 -1.261 0.525 607 HE22 GLN 84 2HE2 GLN 84 -13.030 -1.389 -0.550 608 H TYR 85 H TYR 85 -9.388 0.556 4.875 609 HA TYR 85 HA TYR 85 -9.192 -2.258 5.693 610 HB2 TYR 85 1HB TYR 85 -7.212 -0.311 4.543 611 HB3 TYR 85 2HB TYR 85 -6.668 -1.758 5.384 612 HD1 TYR 85 1HD TYR 85 -8.966 -0.710 2.633 613 HD2 TYR 85 2HD TYR 85 -6.380 -3.715 4.178 614 HE1 TYR 85 1HE TYR 85 -9.251 -2.010 0.565 615 HE2 TYR 85 2HE TYR 85 -6.656 -5.023 2.113 616 HH TYR 85 HH TYR 85 -8.620 -3.807 -0.583 617 H GLY 86 H GLY 86 -8.376 1.030 6.679 618 HA2 GLY 86 1HA GLY 86 -8.739 1.280 9.185 619 HA3 GLY 86 2HA GLY 86 -7.564 -0.020 9.314 620 H VAL 87 H VAL 87 -7.524 2.739 7.099 621 HA VAL 87 HA VAL 87 -4.847 3.402 8.050 622 HB VAL 87 HB VAL 87 -6.396 4.549 5.722 623 HG11 VAL 87 1HG1 VAL 87 -4.346 5.752 6.955 624 HG12 VAL 87 2HG1 VAL 87 -3.447 4.701 5.859 625 HG13 VAL 87 3HG1 VAL 87 -4.616 5.854 5.216 626 HG21 VAL 87 1HG2 VAL 87 -4.132 2.563 5.644 627 HG22 VAL 87 2HG2 VAL 87 -5.834 2.103 5.577 628 HG23 VAL 87 3HG2 VAL 87 -5.141 3.107 4.303 629 H GLN 88 H GLN 88 -4.618 4.842 9.619 630 HA GLN 88 HA GLN 88 -6.569 7.042 9.807 631 HB2 GLN 88 1HB GLN 88 -5.017 5.659 12.000 632 HB3 GLN 88 2HB GLN 88 -5.973 7.116 12.237 633 HG2 GLN 88 1HG GLN 88 -7.905 5.710 11.240 634 HG3 GLN 88 2HG GLN 88 -6.882 4.335 11.651 635 HE21 GLN 88 1HE2 GLN 88 -8.777 6.972 12.878 636 HE22 GLN 88 2HE2 GLN 88 -8.825 6.441 14.521 637 H GLY 89 H GLY 89 -3.187 6.119 9.922 638 HA2 GLY 89 1HA GLY 89 -2.487 8.958 9.571 639 HA3 GLY 89 2HA GLY 89 -1.638 7.994 10.771 640 H PHE 90 H PHE 90 -1.243 9.278 7.858 641 HA PHE 90 HA PHE 90 0.137 6.973 6.681 642 HB2 PHE 90 1HB PHE 90 0.088 9.498 5.166 643 HB3 PHE 90 2HB PHE 90 -0.279 7.859 4.639 644 HD1 PHE 90 2HD PHE 90 -2.480 7.082 6.359 645 HD2 PHE 90 1HD PHE 90 -1.673 10.827 4.504 646 HE1 PHE 90 2HE PHE 90 -4.883 7.611 6.389 647 HE2 PHE 90 1HE PHE 90 -4.075 11.362 4.531 648 HZ PHE 90 HZ PHE 90 -5.683 9.753 5.474 649 HA PRO 91 HA PRO 91 1.530 7.254 4.621 650 HB2 PRO 91 1HB PRO 91 3.832 5.828 4.439 651 HB3 PRO 91 2HB PRO 91 3.659 7.460 3.784 652 HG2 PRO 91 1HG PRO 91 4.900 6.575 6.360 653 HG3 PRO 91 2HG PRO 91 5.478 7.781 5.196 654 HD2 PRO 91 1HD PRO 91 4.201 8.461 7.486 655 HD3 PRO 91 2HD PRO 91 4.062 9.415 5.995 656 H THR 92 H THR 92 0.810 5.149 4.414 657 HA THR 92 HA THR 92 1.255 3.342 6.691 658 HB THR 92 HB THR 92 -1.377 4.212 5.540 659 HG1 THR 92 1HG THR 92 -0.190 4.844 7.681 660 HG21 THR 92 1HG2 THR 92 -0.745 1.573 6.846 661 HG22 THR 92 2HG2 THR 92 -1.568 1.863 5.313 662 HG23 THR 92 3HG2 THR 92 -2.367 2.264 6.833 663 H ILE 93 H ILE 93 2.463 1.811 5.718 664 HA ILE 93 HA ILE 93 1.775 0.866 3.054 665 HB ILE 93 HB ILE 93 4.019 0.022 4.892 666 HG12 ILE 93 1HG1 ILE 93 4.423 1.570 2.371 667 HG13 ILE 93 2HG1 ILE 93 3.852 2.432 3.795 668 HG21 ILE 93 1HG2 ILE 93 4.809 -0.658 2.394 669 HG22 ILE 93 2HG2 ILE 93 4.036 -1.765 3.527 670 HG23 ILE 93 3HG2 ILE 93 3.075 -0.959 2.288 671 HD11 ILE 93 1HD1 ILE 93 5.806 1.642 5.040 672 HD12 ILE 93 2HD1 ILE 93 6.381 0.817 3.591 673 HD13 ILE 93 3HD1 ILE 93 6.256 2.576 3.613 674 H LYS 94 H LYS 94 0.883 -1.072 2.578 675 HA LYS 94 HA LYS 94 0.347 -2.922 4.804 676 HB2 LYS 94 1HB LYS 94 -1.554 -1.861 2.731 677 HB3 LYS 94 2HB LYS 94 -1.842 -3.411 3.511 678 HG2 LYS 94 1HG LYS 94 -1.377 -0.928 5.119 679 HG3 LYS 94 2HG LYS 94 -2.973 -1.330 4.482 680 HD2 LYS 94 1HD LYS 94 -2.675 -3.598 5.595 681 HD3 LYS 94 2HD LYS 94 -1.298 -2.884 6.439 682 HE2 LYS 94 1HE LYS 94 -2.789 -1.132 7.326 683 HE3 LYS 94 2HE LYS 94 -4.154 -1.912 6.528 684 HZ1 LYS 94 1HZ LYS 94 -3.288 -2.420 9.052 685 HZ2 LYS 94 2HZ LYS 94 -2.645 -3.713 8.170 686 HZ3 LYS 94 3HZ LYS 94 -4.310 -3.416 8.143 687 H ILE 95 H ILE 95 0.588 -5.065 4.376 688 HA ILE 95 HA ILE 95 1.647 -5.742 1.722 689 HB ILE 95 HB ILE 95 1.896 -7.225 4.341 690 HG12 ILE 95 1HG1 ILE 95 4.186 -6.060 2.806 691 HG13 ILE 95 2HG1 ILE 95 3.201 -4.999 3.807 692 HG21 ILE 95 1HG2 ILE 95 1.827 -8.555 2.127 693 HG22 ILE 95 2HG2 ILE 95 3.426 -7.866 1.851 694 HG23 ILE 95 3HG2 ILE 95 3.133 -8.871 3.269 695 HD11 ILE 95 1HD1 ILE 95 3.807 -7.230 5.391 696 HD12 ILE 95 2HD1 ILE 95 5.301 -6.773 4.573 697 HD13 ILE 95 3HD1 ILE 95 4.429 -5.587 5.544 698 H PHE 96 H PHE 96 0.705 -7.234 0.440 699 HA PHE 96 HA PHE 96 -1.722 -8.550 1.469 700 HB2 PHE 96 1HB PHE 96 -1.124 -7.360 -1.231 701 HB3 PHE 96 2HB PHE 96 -2.403 -8.550 -1.014 702 HD1 PHE 96 1HD PHE 96 -1.213 -5.320 0.413 703 HD2 PHE 96 2HD PHE 96 -4.528 -7.818 -0.528 704 HE1 PHE 96 1HE PHE 96 -2.753 -3.530 1.104 705 HE2 PHE 96 2HE PHE 96 -6.074 -6.032 0.161 706 HZ PHE 96 HZ PHE 96 -5.187 -3.885 0.978 707 H GLY 97 H GLY 97 -1.847 -10.709 1.327 708 HA2 GLY 97 1HA GLY 97 -0.533 -12.245 -0.679 709 HA3 GLY 97 2HA GLY 97 0.354 -12.313 0.837 710 H ALA 98 H ALA 98 -0.583 -13.329 2.639 711 HA ALA 98 HA ALA 98 -1.915 -15.675 2.245 712 HB1 ALA 98 1HB ALA 98 -0.844 -14.554 4.394 713 HB2 ALA 98 2HB ALA 98 -2.539 -14.236 4.764 714 HB3 ALA 98 3HB ALA 98 -1.988 -15.892 4.510 715 H ASN 99 H ASN 99 -3.525 -12.813 3.648 716 HA ASN 99 HA ASN 99 -6.022 -13.725 2.375 717 HB2 ASN 99 1HB ASN 99 -5.922 -13.805 4.910 718 HB3 ASN 99 2HB ASN 99 -5.835 -12.046 4.879 719 HD21 ASN 99 1HD2 ASN 99 -7.796 -12.068 6.089 720 HD22 ASN 99 2HD2 ASN 99 -9.311 -12.296 5.289 721 H LYS 100 H LYS 100 -6.017 -12.526 0.531 722 HA LYS 100 HA LYS 100 -5.115 -9.929 0.187 723 HB2 LYS 100 1HB LYS 100 -7.186 -11.577 -1.228 724 HB3 LYS 100 2HB LYS 100 -6.918 -9.903 -1.694 725 HG2 LYS 100 1HG LYS 100 -4.850 -12.092 -1.691 726 HG3 LYS 100 2HG LYS 100 -5.656 -11.418 -3.109 727 HD2 LYS 100 1HD LYS 100 -4.713 -9.175 -2.421 728 HD3 LYS 100 2HD LYS 100 -3.727 -10.048 -1.246 729 HE2 LYS 100 1HE LYS 100 -3.735 -10.624 -4.204 730 HE3 LYS 100 2HE LYS 100 -2.580 -9.553 -3.414 731 HZ1 LYS 100 1HZ LYS 100 -2.486 -12.343 -3.644 732 HZ2 LYS 100 2HZ LYS 100 -2.633 -11.963 -2.002 733 HZ3 LYS 100 3HZ LYS 100 -1.362 -11.313 -2.910 734 H ASN 101 H ASN 101 -7.949 -11.059 1.774 735 HA ASN 101 HA ASN 101 -9.397 -8.575 1.583 736 HB2 ASN 101 1HB ASN 101 -9.834 -11.207 2.931 737 HB3 ASN 101 2HB ASN 101 -10.739 -9.808 3.502 738 HD21 ASN 101 1HD2 ASN 101 -11.145 -12.386 1.743 739 HD22 ASN 101 2HD2 ASN 101 -12.181 -11.802 0.490 740 H LYS 102 H LYS 102 -7.136 -10.055 3.768 741 HA LYS 102 HA LYS 102 -7.199 -7.623 5.412 742 HB2 LYS 102 1HB LYS 102 -6.826 -10.361 6.614 743 HB3 LYS 102 2HB LYS 102 -7.091 -8.838 7.452 744 HG2 LYS 102 1HG LYS 102 -9.368 -8.747 6.563 745 HG3 LYS 102 2HG LYS 102 -9.100 -10.282 5.733 746 HD2 LYS 102 1HD LYS 102 -8.451 -11.106 8.140 747 HD3 LYS 102 2HD LYS 102 -9.425 -9.724 8.646 748 HE2 LYS 102 1HE LYS 102 -11.370 -10.614 7.797 749 HE3 LYS 102 2HE LYS 102 -10.523 -11.604 6.609 750 HZ1 LYS 102 1HZ LYS 102 -11.490 -12.400 9.074 751 HZ2 LYS 102 2HZ LYS 102 -9.806 -12.394 9.227 752 HZ3 LYS 102 3HZ LYS 102 -10.540 -13.305 8.006 753 HA PRO 103 HA PRO 103 -2.904 -8.267 4.044 754 HB2 PRO 103 1HB PRO 103 -2.240 -5.640 4.219 755 HB3 PRO 103 2HB PRO 103 -3.067 -6.331 2.818 756 HG2 PRO 103 1HG PRO 103 -4.207 -4.808 5.129 757 HG3 PRO 103 2HG PRO 103 -4.581 -4.665 3.402 758 HD2 PRO 103 1HD PRO 103 -6.161 -6.028 5.128 759 HD3 PRO 103 2HD PRO 103 -5.979 -6.498 3.425 760 H GLU 104 H GLU 104 -0.815 -7.453 5.070 761 HA GLU 104 HA GLU 104 -1.100 -7.648 7.982 762 HB2 GLU 104 1HB GLU 104 1.404 -7.972 6.324 763 HB3 GLU 104 2HB GLU 104 1.201 -8.377 8.022 764 HG2 GLU 104 1HG GLU 104 -0.441 -10.099 7.388 765 HG3 GLU 104 2HG GLU 104 -0.142 -9.725 5.691 766 H ASP 105 H ASP 105 0.261 -6.338 9.356 767 HA ASP 105 HA ASP 105 0.319 -3.598 8.485 768 HB2 ASP 105 1HB ASP 105 1.391 -3.359 10.872 769 HB3 ASP 105 2HB ASP 105 -0.323 -3.730 10.703 770 H TYR 106 H TYR 106 1.921 -2.880 7.248 771 HA TYR 106 HA TYR 106 4.431 -4.108 6.969 772 HB2 TYR 106 1HB TYR 106 3.501 -2.675 5.231 773 HB3 TYR 106 2HB TYR 106 3.580 -1.282 6.305 774 HD1 TYR 106 2HD TYR 106 5.510 -3.569 4.194 775 HD2 TYR 106 1HD TYR 106 5.699 -0.193 6.777 776 HE1 TYR 106 2HE TYR 106 7.780 -3.082 3.382 777 HE2 TYR 106 1HE TYR 106 7.969 0.304 5.971 778 HH TYR 106 HH TYR 106 9.924 -1.524 4.735 779 H GLN 107 H GLN 107 5.744 -4.338 8.677 780 HA GLN 107 HA GLN 107 6.239 -1.998 10.388 781 HB2 GLN 107 1HB GLN 107 6.263 -4.934 10.861 782 HB3 GLN 107 2HB GLN 107 7.419 -3.963 11.763 783 HG2 GLN 107 1HG GLN 107 5.344 -4.345 13.004 784 HG3 GLN 107 2HG GLN 107 5.639 -2.635 12.698 785 HE21 GLN 107 1HE2 GLN 107 4.450 -1.628 10.964 786 HE22 GLN 107 2HE2 GLN 107 2.878 -2.216 10.552 787 H GLY 108 H GLY 108 7.430 -2.280 7.782 788 HA2 GLY 108 1HA GLY 108 10.231 -2.914 8.411 789 HA3 GLY 108 2HA GLY 108 9.556 -2.746 6.797 790 H GLY 109 H GLY 109 11.390 -1.351 6.371 791 HA2 GLY 109 1HA GLY 109 11.205 1.295 7.648 792 HA3 GLY 109 2HA GLY 109 12.608 0.675 6.790 793 H ARG 110 H ARG 110 11.100 3.188 6.445 794 HA ARG 110 HA ARG 110 9.740 2.918 3.910 795 HB2 ARG 110 1HB ARG 110 10.298 5.154 5.809 796 HB3 ARG 110 2HB ARG 110 9.902 5.549 4.141 797 HG2 ARG 110 1HG ARG 110 7.815 5.584 5.020 798 HG3 ARG 110 2HG ARG 110 7.907 3.869 4.612 799 HD2 ARG 110 1HD ARG 110 8.266 3.237 6.823 800 HD3 ARG 110 2HD ARG 110 8.796 4.850 7.297 801 HE ARG 110 HE ARG 110 6.076 4.828 6.443 802 HH11 ARG 110 2HH1 ARG 110 8.177 4.104 9.123 803 HH12 ARG 110 1HH1 ARG 110 6.945 4.334 10.319 804 HH21 ARG 110 2HH2 ARG 110 4.446 5.135 8.009 805 HH22 ARG 110 1HH2 ARG 110 4.823 4.920 9.684 806 H THR 111 H THR 111 12.201 1.914 3.533 807 HA THR 111 HA THR 111 13.520 3.978 1.898 808 HB THR 111 HB THR 111 15.690 2.747 2.362 809 HG1 THR 111 1HG THR 111 15.511 1.682 4.559 810 HG21 THR 111 1HG2 THR 111 14.739 3.822 4.960 811 HG22 THR 111 2HG2 THR 111 14.643 4.889 3.559 812 HG23 THR 111 3HG2 THR 111 16.195 4.204 4.041 813 H GLY 112 H GLY 112 13.770 3.446 -0.179 814 HA2 GLY 112 1HA GLY 112 12.622 1.393 -1.490 815 HA3 GLY 112 2HA GLY 112 14.115 2.129 -2.055 816 H GLU 113 H GLU 113 15.496 1.155 0.438 817 HA GLU 113 HA GLU 113 16.303 -1.389 -0.653 818 HB2 GLU 113 1HB GLU 113 17.307 -0.480 1.993 819 HB3 GLU 113 2HB GLU 113 18.178 -1.204 0.648 820 HG2 GLU 113 1HG GLU 113 17.580 1.106 -0.498 821 HG3 GLU 113 2HG GLU 113 17.529 1.636 1.182 822 H ALA 114 H ALA 114 15.123 -0.325 2.542 823 HA ALA 114 HA ALA 114 14.808 -2.809 3.711 824 HB1 ALA 114 1HB ALA 114 12.904 -1.622 5.004 825 HB2 ALA 114 2HB ALA 114 14.555 -1.022 5.161 826 HB3 ALA 114 3HB ALA 114 13.413 -0.193 4.104 827 H ILE 115 H ILE 115 12.340 -0.940 1.943 828 HA ILE 115 HA ILE 115 10.220 -2.672 2.098 829 HB ILE 115 HB ILE 115 10.997 -1.092 -0.356 830 HG12 ILE 115 1HG1 ILE 115 8.994 -0.120 1.623 831 HG13 ILE 115 2HG1 ILE 115 10.695 0.003 2.058 832 HG21 ILE 115 1HG2 ILE 115 8.301 -2.088 0.556 833 HG22 ILE 115 2HG2 ILE 115 8.625 -1.128 -0.887 834 HG23 ILE 115 3HG2 ILE 115 9.255 -2.770 -0.761 835 HD11 ILE 115 1HD1 ILE 115 9.617 2.013 0.945 836 HD12 ILE 115 2HD1 ILE 115 11.156 1.455 0.287 837 HD13 ILE 115 3HD1 ILE 115 9.648 1.063 -0.541 838 H VAL 116 H VAL 116 12.857 -2.730 -0.282 839 HA VAL 116 HA VAL 116 11.982 -4.815 -1.880 840 HB VAL 116 HB VAL 116 14.794 -4.051 -1.098 841 HG11 VAL 116 1HG1 VAL 116 13.831 -6.049 -3.133 842 HG12 VAL 116 2HG1 VAL 116 15.448 -5.344 -3.154 843 HG13 VAL 116 3HG1 VAL 116 14.929 -6.322 -1.781 844 HG21 VAL 116 1HG2 VAL 116 13.864 -3.633 -3.840 845 HG22 VAL 116 2HG2 VAL 116 12.974 -2.707 -2.631 846 HG23 VAL 116 3HG2 VAL 116 14.725 -2.542 -2.755 847 H ASP 117 H ASP 117 13.762 -4.939 1.174 848 HA ASP 117 HA ASP 117 14.067 -7.781 1.150 849 HB2 ASP 117 1HB ASP 117 15.383 -5.910 2.472 850 HB3 ASP 117 2HB ASP 117 14.148 -6.210 3.691 851 H ALA 118 H ALA 118 11.721 -5.532 2.476 852 HA ALA 118 HA ALA 118 10.354 -7.367 4.138 853 HB1 ALA 118 1HB ALA 118 9.852 -4.657 3.086 854 HB2 ALA 118 2HB ALA 118 8.430 -5.582 3.571 855 HB3 ALA 118 3HB ALA 118 9.724 -5.280 4.731 856 H ALA 119 H ALA 119 9.791 -6.292 0.801 857 HA ALA 119 HA ALA 119 7.429 -7.732 0.346 858 HB1 ALA 119 1HB ALA 119 7.592 -7.039 -1.814 859 HB2 ALA 119 2HB ALA 119 8.741 -5.918 -1.080 860 HB3 ALA 119 3HB ALA 119 9.324 -7.363 -1.906 861 H LEU 120 H LEU 120 10.824 -8.625 -0.144 862 HA LEU 120 HA LEU 120 10.340 -11.125 -1.350 863 HB2 LEU 120 1HB LEU 120 12.692 -10.157 0.265 864 HB3 LEU 120 2HB LEU 120 12.668 -11.651 -0.669 865 HG LEU 120 HG LEU 120 12.114 -9.067 -2.055 866 HD11 LEU 120 1HD1 LEU 120 14.119 -8.210 -1.668 867 HD12 LEU 120 2HD1 LEU 120 14.876 -9.679 -2.283 868 HD13 LEU 120 3HD1 LEU 120 14.482 -9.541 -0.570 869 HD21 LEU 120 1HD2 LEU 120 12.061 -11.543 -2.967 870 HD22 LEU 120 2HD2 LEU 120 13.799 -11.280 -3.106 871 HD23 LEU 120 3HD2 LEU 120 12.676 -10.213 -3.949 872 H SER 121 H SER 121 11.287 -10.376 2.008 873 HA SER 121 HA SER 121 11.206 -12.857 3.124 874 HB2 SER 121 1HB SER 121 11.564 -10.451 4.173 875 HB3 SER 121 2HB SER 121 9.879 -10.656 4.650 876 HG SER 121 HG SER 121 11.147 -11.482 6.277 877 H ALA 122 H ALA 122 8.427 -10.728 2.559 878 HA ALA 122 HA ALA 122 6.515 -12.535 3.656 879 HB1 ALA 122 1HB ALA 122 6.111 -10.205 1.783 880 HB2 ALA 122 2HB ALA 122 4.844 -11.039 2.682 881 HB3 ALA 122 3HB ALA 122 6.089 -10.137 3.545 882 H LEU 123 H LEU 123 7.556 -11.759 0.355 883 HA LEU 123 HA LEU 123 5.757 -13.240 -1.107 884 HB2 LEU 123 1HB LEU 123 7.726 -11.751 -1.860 885 HB3 LEU 123 2HB LEU 123 8.673 -13.236 -1.798 886 HG LEU 123 HG LEU 123 7.975 -12.802 -4.066 887 HD11 LEU 123 1HD1 LEU 123 7.026 -14.907 -4.592 888 HD12 LEU 123 2HD1 LEU 123 6.267 -15.040 -3.006 889 HD13 LEU 123 3HD1 LEU 123 8.021 -15.147 -3.155 890 HD21 LEU 123 1HD2 LEU 123 5.792 -11.621 -3.062 891 HD22 LEU 123 2HD2 LEU 123 5.101 -13.186 -3.491 892 HD23 LEU 123 3HD2 LEU 123 5.895 -12.204 -4.724 893 H ARG 124 H ARG 124 8.937 -14.391 0.034 894 HA ARG 124 HA ARG 124 8.535 -17.072 -0.728 895 HB2 ARG 124 1HB ARG 124 10.494 -17.578 0.566 896 HB3 ARG 124 2HB ARG 124 10.747 -16.029 -0.228 897 HG2 ARG 124 1HG ARG 124 10.550 -14.837 1.754 898 HG3 ARG 124 2HG ARG 124 9.717 -16.157 2.577 899 HD2 ARG 124 1HD ARG 124 12.563 -16.375 1.632 900 HD3 ARG 124 2HD ARG 124 12.140 -15.747 3.224 901 HE ARG 124 HE ARG 124 10.930 -18.279 2.723 902 HH11 ARG 124 2HH1 ARG 124 13.908 -16.735 3.655 903 HH12 ARG 124 1HH1 ARG 124 14.498 -18.108 4.531 904 HH21 ARG 124 2HH2 ARG 124 11.696 -20.094 3.873 905 HH22 ARG 124 1HH2 ARG 124 13.240 -20.019 4.654 906 H SER 125 H SER 125 7.611 -15.267 2.101 907 HA SER 125 HA SER 125 6.549 -17.736 3.310 908 HB2 SER 125 1HB SER 125 8.305 -16.197 4.535 909 HB3 SER 125 2HB SER 125 6.885 -15.214 4.890 910 HG SER 125 HG SER 125 6.642 -16.572 6.478 911 H GLY 126 H GLY 126 5.099 -16.568 1.282 912 HA2 GLY 126 1HA GLY 126 3.039 -14.927 2.560 913 HA3 GLY 126 2HA GLY 126 3.193 -15.239 0.838 914 HA PRO 127 HA PRO 127 -0.126 -18.096 1.264 915 HB2 PRO 127 1HB PRO 127 0.220 -19.467 -1.053 916 HB3 PRO 127 2HB PRO 127 -0.441 -17.829 -0.996 917 HG2 PRO 127 1HG PRO 127 2.345 -18.727 -1.623 918 HG3 PRO 127 2HG PRO 127 1.361 -17.490 -2.427 919 HD2 PRO 127 1HD PRO 127 3.295 -16.875 -0.635 920 HD3 PRO 127 2HD PRO 127 1.823 -15.901 -0.823 921 H SER 128 H SER 128 3.083 -19.317 0.385 922 HA SER 128 HA SER 128 4.229 -21.183 1.003 923 HB2 SER 128 1HB SER 128 3.236 -20.376 3.293 924 HB3 SER 128 2HB SER 128 2.203 -21.796 3.128 925 HG SER 128 HG SER 128 4.675 -22.546 2.568 926 H SER 129 H SER 129 2.630 -21.532 -1.127 927 HA SER 129 HA SER 129 0.710 -23.570 -0.972 928 HB2 SER 129 1HB SER 129 2.517 -22.916 -3.312 929 HB3 SER 129 2HB SER 129 0.987 -23.790 -3.386 930 HG SER 129 HG SER 129 1.465 -21.095 -3.224 931 H GLY 130 H GLY 130 0.877 -25.683 -0.617 932 HA2 GLY 130 1HA GLY 130 3.405 -27.038 -1.273 933 HA3 GLY 130 2HA GLY 130 2.740 -27.197 0.346 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -11.872 -0.538 -16.074 2 HA2 GLY 1 1HA GLY 1 -12.057 1.778 -16.227 3 HA3 GLY 1 2HA GLY 1 -13.747 1.334 -16.413 4 H SER 2 H SER 2 -13.757 3.654 -15.501 5 HA SER 2 HA SER 2 -14.119 3.428 -12.594 6 HB2 SER 2 1HB SER 2 -12.717 5.677 -14.053 7 HB3 SER 2 2HB SER 2 -13.240 5.771 -12.371 8 HG SER 2 HG SER 2 -11.567 4.632 -11.820 9 H SER 3 H SER 3 -15.602 5.005 -11.695 10 HA SER 3 HA SER 3 -17.766 5.577 -13.559 11 HB2 SER 3 1HB SER 3 -17.663 5.803 -10.541 12 HB3 SER 3 2HB SER 3 -19.103 6.017 -11.535 13 HG SER 3 HG SER 3 -18.854 3.885 -10.609 14 H GLY 4 H GLY 4 -15.540 7.192 -13.958 15 HA2 GLY 4 1HA GLY 4 -14.769 9.387 -13.853 16 HA3 GLY 4 2HA GLY 4 -16.433 9.678 -14.338 17 H SER 5 H SER 5 -14.332 9.320 -11.511 18 HA SER 5 HA SER 5 -16.275 10.442 -9.717 19 HB2 SER 5 1HB SER 5 -13.312 10.063 -9.242 20 HB3 SER 5 2HB SER 5 -14.572 10.243 -8.021 21 HG SER 5 HG SER 5 -14.058 8.060 -9.732 22 H SER 6 H SER 6 -16.706 12.418 -10.890 23 HA SER 6 HA SER 6 -16.296 14.589 -11.567 24 HB2 SER 6 1HB SER 6 -16.125 16.021 -9.697 25 HB3 SER 6 2HB SER 6 -16.865 14.553 -9.060 26 HG SER 6 HG SER 6 -14.804 15.680 -8.078 27 H GLY 7 H GLY 7 -14.219 13.016 -12.499 28 HA2 GLY 7 1HA GLY 7 -12.261 13.678 -13.638 29 HA3 GLY 7 2HA GLY 7 -12.045 14.970 -12.467 30 H ALA 8 H ALA 8 -10.105 13.012 -13.420 31 HA ALA 8 HA ALA 8 -9.353 11.904 -10.804 32 HB1 ALA 8 1HB ALA 8 -8.788 9.807 -11.661 33 HB2 ALA 8 2HB ALA 8 -10.332 10.179 -12.429 34 HB3 ALA 8 3HB ALA 8 -8.829 10.375 -13.330 35 H VAL 9 H VAL 9 -7.251 12.156 -10.259 36 HA VAL 9 HA VAL 9 -5.470 13.332 -12.294 37 HB VAL 9 HB VAL 9 -4.370 14.601 -10.564 38 HG11 VAL 9 1HG1 VAL 9 -6.096 15.879 -11.410 39 HG12 VAL 9 2HG1 VAL 9 -7.344 14.820 -10.750 40 HG13 VAL 9 3HG1 VAL 9 -6.448 15.900 -9.682 41 HG21 VAL 9 1HG2 VAL 9 -5.005 14.545 -8.255 42 HG22 VAL 9 2HG2 VAL 9 -6.340 13.444 -8.596 43 HG23 VAL 9 3HG2 VAL 9 -4.675 12.892 -8.772 44 H SER 10 H SER 10 -3.172 12.912 -12.006 45 HA SER 10 HA SER 10 -2.668 10.154 -11.507 46 HB2 SER 10 1HB SER 10 -0.761 12.442 -12.050 47 HB3 SER 10 2HB SER 10 -0.306 10.738 -12.027 48 HG SER 10 HG SER 10 -0.726 11.153 -14.122 49 H GLY 11 H GLY 11 -1.265 13.075 -10.001 50 HA2 GLY 11 1HA GLY 11 -1.319 13.265 -7.560 51 HA3 GLY 11 2HA GLY 11 -1.051 11.529 -7.493 52 H LEU 12 H LEU 12 0.825 11.535 -6.330 53 HA LEU 12 HA LEU 12 3.025 13.252 -7.026 54 HB2 LEU 12 1HB LEU 12 3.095 10.856 -5.211 55 HB3 LEU 12 2HB LEU 12 4.190 12.236 -5.220 56 HG LEU 12 HG LEU 12 1.280 12.361 -4.435 57 HD11 LEU 12 1HD1 LEU 12 2.495 11.021 -2.835 58 HD12 LEU 12 2HD1 LEU 12 2.142 12.603 -2.140 59 HD13 LEU 12 3HD1 LEU 12 3.764 12.242 -2.731 60 HD21 LEU 12 1HD2 LEU 12 2.987 14.378 -5.251 61 HD22 LEU 12 2HD2 LEU 12 3.061 14.447 -3.490 62 HD23 LEU 12 3HD2 LEU 12 1.506 14.574 -4.313 63 H TYR 13 H TYR 13 2.427 9.746 -7.167 64 HA TYR 13 HA TYR 13 4.866 9.152 -8.498 65 HB2 TYR 13 1HB TYR 13 2.306 7.554 -8.287 66 HB3 TYR 13 2HB TYR 13 3.833 6.930 -8.902 67 HD1 TYR 13 2HD TYR 13 2.171 8.286 -5.880 68 HD2 TYR 13 1HD TYR 13 5.505 6.145 -7.431 69 HE1 TYR 13 2HE TYR 13 2.836 7.675 -3.592 70 HE2 TYR 13 1HE TYR 13 6.179 5.527 -5.147 71 HH TYR 13 HH TYR 13 4.795 6.972 -2.370 72 H SER 14 H SER 14 5.060 8.277 -10.675 73 HA SER 14 HA SER 14 3.009 9.139 -12.571 74 HB2 SER 14 1HB SER 14 5.811 10.194 -12.427 75 HB3 SER 14 2HB SER 14 5.028 10.032 -13.998 76 HG SER 14 HG SER 14 4.223 11.914 -13.500 77 H SER 15 H SER 15 4.081 8.595 -14.922 78 HA SER 15 HA SER 15 4.075 5.803 -15.084 79 HB2 SER 15 1HB SER 15 3.504 7.335 -16.961 80 HB3 SER 15 2HB SER 15 5.213 7.742 -17.113 81 HG SER 15 HG SER 15 5.125 6.110 -18.471 82 H SER 16 H SER 16 6.783 8.095 -15.261 83 HA SER 16 HA SER 16 8.917 6.611 -15.868 84 HB2 SER 16 1HB SER 16 10.225 7.900 -14.141 85 HB3 SER 16 2HB SER 16 9.220 8.897 -15.193 86 HG SER 16 HG SER 16 7.631 8.842 -13.481 87 H ASP 17 H ASP 17 7.518 6.669 -12.592 88 HA ASP 17 HA ASP 17 9.212 4.601 -11.610 89 HB2 ASP 17 1HB ASP 17 7.243 4.552 -9.820 90 HB3 ASP 17 2HB ASP 17 8.434 5.849 -9.854 91 H ASP 18 H ASP 18 8.527 2.482 -10.901 92 HA ASP 18 HA ASP 18 6.807 1.220 -12.874 93 HB2 ASP 18 1HB ASP 18 9.138 0.398 -11.915 94 HB3 ASP 18 2HB ASP 18 8.113 -0.324 -10.678 95 H VAL 19 H VAL 19 6.287 2.691 -10.003 96 HA VAL 19 HA VAL 19 4.693 0.895 -8.549 97 HB VAL 19 HB VAL 19 4.582 3.909 -8.687 98 HG11 VAL 19 1HG1 VAL 19 3.568 2.794 -6.242 99 HG12 VAL 19 2HG1 VAL 19 2.795 3.913 -7.367 100 HG13 VAL 19 3HG1 VAL 19 2.659 2.173 -7.620 101 HG21 VAL 19 1HG2 VAL 19 6.645 2.573 -7.809 102 HG22 VAL 19 2HG2 VAL 19 6.038 3.955 -6.898 103 HG23 VAL 19 3HG2 VAL 19 5.631 2.317 -6.389 104 H ILE 20 H ILE 20 2.645 0.219 -8.756 105 HA ILE 20 HA ILE 20 1.177 1.011 -11.135 106 HB ILE 20 HB ILE 20 0.639 -1.127 -9.074 107 HG12 ILE 20 1HG1 ILE 20 1.252 -1.530 -11.990 108 HG13 ILE 20 2HG1 ILE 20 2.549 -1.309 -10.821 109 HG21 ILE 20 1HG2 ILE 20 -1.183 -1.878 -10.468 110 HG22 ILE 20 2HG2 ILE 20 -1.450 -0.198 -10.005 111 HG23 ILE 20 3HG2 ILE 20 -0.872 -0.585 -11.626 112 HD11 ILE 20 1HD1 ILE 20 0.612 -3.559 -11.092 113 HD12 ILE 20 2HD1 ILE 20 2.369 -3.598 -10.948 114 HD13 ILE 20 3HD1 ILE 20 1.377 -3.227 -9.538 115 H GLU 21 H GLU 21 -0.312 2.549 -11.113 116 HA GLU 21 HA GLU 21 -1.166 3.833 -8.738 117 HB2 GLU 21 1HB GLU 21 -1.009 4.865 -11.042 118 HB3 GLU 21 2HB GLU 21 -2.493 4.013 -11.442 119 HG2 GLU 21 1HG GLU 21 -3.355 6.021 -10.830 120 HG3 GLU 21 2HG GLU 21 -3.368 5.207 -9.267 121 H LEU 22 H LEU 22 -2.199 2.452 -7.346 122 HA LEU 22 HA LEU 22 -4.345 0.747 -8.220 123 HB2 LEU 22 1HB LEU 22 -3.190 1.437 -5.535 124 HB3 LEU 22 2HB LEU 22 -4.628 0.432 -5.701 125 HG LEU 22 HG LEU 22 -1.886 -0.207 -6.789 126 HD11 LEU 22 1HD1 LEU 22 -1.547 -1.588 -5.007 127 HD12 LEU 22 2HD1 LEU 22 -3.269 -1.834 -4.724 128 HD13 LEU 22 3HD1 LEU 22 -2.501 -0.328 -4.224 129 HD21 LEU 22 1HD2 LEU 22 -3.515 -1.146 -8.249 130 HD22 LEU 22 2HD2 LEU 22 -4.502 -1.697 -6.896 131 HD23 LEU 22 3HD2 LEU 22 -2.935 -2.446 -7.208 132 H THR 23 H THR 23 -6.494 1.094 -8.099 133 HA THR 23 HA THR 23 -7.445 3.532 -6.761 134 HB THR 23 HB THR 23 -8.548 4.369 -8.575 135 HG1 THR 23 1HG THR 23 -8.651 1.709 -9.595 136 HG21 THR 23 1HG2 THR 23 -5.973 3.646 -9.101 137 HG22 THR 23 2HG2 THR 23 -6.967 4.652 -10.154 138 HG23 THR 23 3HG2 THR 23 -6.828 2.922 -10.463 139 HA PRO 24 HA PRO 24 -10.724 1.099 -5.153 140 HB2 PRO 24 1HB PRO 24 -12.829 2.811 -5.242 141 HB3 PRO 24 2HB PRO 24 -11.491 2.992 -4.101 142 HG2 PRO 24 1HG PRO 24 -11.968 4.400 -6.700 143 HG3 PRO 24 2HG PRO 24 -11.410 5.065 -5.153 144 HD2 PRO 24 1HD PRO 24 -9.720 4.508 -7.195 145 HD3 PRO 24 2HD PRO 24 -9.241 4.363 -5.491 146 H SER 25 H SER 25 -10.350 1.343 -8.255 147 HA SER 25 HA SER 25 -12.990 0.218 -8.927 148 HB2 SER 25 1HB SER 25 -11.297 2.198 -10.365 149 HB3 SER 25 2HB SER 25 -12.156 1.011 -11.346 150 HG SER 25 HG SER 25 -13.983 1.759 -9.777 151 H ASN 26 H ASN 26 -9.571 -0.139 -8.975 152 HA ASN 26 HA ASN 26 -9.874 -2.713 -10.374 153 HB2 ASN 26 1HB ASN 26 -7.325 -2.218 -10.935 154 HB3 ASN 26 2HB ASN 26 -8.625 -1.614 -11.958 155 HD21 ASN 26 1HD2 ASN 26 -6.060 -0.812 -9.841 156 HD22 ASN 26 2HD2 ASN 26 -6.194 0.906 -9.966 157 H PHE 27 H PHE 27 -8.767 -1.000 -7.642 158 HA PHE 27 HA PHE 27 -6.673 -2.276 -6.568 159 HB2 PHE 27 1HB PHE 27 -8.096 -0.570 -5.412 160 HB3 PHE 27 2HB PHE 27 -9.239 -1.852 -5.026 161 HD1 PHE 27 1HD PHE 27 -8.146 -3.947 -3.831 162 HD2 PHE 27 2HD PHE 27 -6.526 -0.011 -3.840 163 HE1 PHE 27 1HE PHE 27 -6.871 -4.471 -1.792 164 HE2 PHE 27 2HE PHE 27 -5.247 -0.529 -1.803 165 HZ PHE 27 HZ PHE 27 -5.418 -2.761 -0.777 166 H ASN 28 H ASN 28 -9.809 -3.695 -7.132 167 HA ASN 28 HA ASN 28 -9.174 -6.113 -5.665 168 HB2 ASN 28 1HB ASN 28 -11.502 -5.086 -5.847 169 HB3 ASN 28 2HB ASN 28 -11.529 -5.685 -7.503 170 HD21 ASN 28 1HD2 ASN 28 -11.567 -7.913 -7.873 171 HD22 ASN 28 2HD2 ASN 28 -12.040 -9.028 -6.641 172 H ARG 29 H ARG 29 -9.535 -5.090 -9.033 173 HA ARG 29 HA ARG 29 -8.941 -7.709 -10.068 174 HB2 ARG 29 1HB ARG 29 -9.454 -5.012 -11.258 175 HB3 ARG 29 2HB ARG 29 -8.705 -6.257 -12.249 176 HG2 ARG 29 1HG ARG 29 -10.905 -6.593 -12.747 177 HG3 ARG 29 2HG ARG 29 -10.715 -7.706 -11.391 178 HD2 ARG 29 1HD ARG 29 -12.707 -6.527 -10.962 179 HD3 ARG 29 2HD ARG 29 -11.495 -5.802 -9.908 180 HE ARG 29 HE ARG 29 -11.636 -3.845 -11.121 181 HH11 ARG 29 2HH1 ARG 29 -13.386 -6.386 -12.735 182 HH12 ARG 29 1HH1 ARG 29 -14.158 -5.318 -13.859 183 HH21 ARG 29 2HH2 ARG 29 -12.646 -2.429 -12.597 184 HH22 ARG 29 1HH2 ARG 29 -13.736 -3.068 -13.781 185 H GLU 30 H GLU 30 -7.083 -5.333 -8.696 186 HA GLU 30 HA GLU 30 -4.722 -5.995 -10.320 187 HB2 GLU 30 1HB GLU 30 -5.519 -3.607 -8.731 188 HB3 GLU 30 2HB GLU 30 -3.807 -3.998 -8.811 189 HG2 GLU 30 1HG GLU 30 -5.445 -3.823 -11.305 190 HG3 GLU 30 2HG GLU 30 -4.811 -2.369 -10.535 191 H VAL 31 H VAL 31 -5.804 -5.620 -6.958 192 HA VAL 31 HA VAL 31 -3.473 -7.164 -6.066 193 HB VAL 31 HB VAL 31 -5.461 -5.577 -4.435 194 HG11 VAL 31 1HG1 VAL 31 -3.050 -7.200 -3.695 195 HG12 VAL 31 2HG1 VAL 31 -3.611 -5.870 -2.679 196 HG13 VAL 31 3HG1 VAL 31 -4.671 -7.243 -3.002 197 HG21 VAL 31 1HG2 VAL 31 -3.999 -3.816 -4.411 198 HG22 VAL 31 2HG2 VAL 31 -2.590 -4.836 -4.702 199 HG23 VAL 31 3HG2 VAL 31 -3.687 -4.448 -6.028 200 H ILE 32 H ILE 32 -6.902 -6.924 -5.104 201 HA ILE 32 HA ILE 32 -7.136 -9.335 -3.810 202 HB ILE 32 HB ILE 32 -9.274 -8.093 -5.545 203 HG12 ILE 32 1HG1 ILE 32 -8.290 -6.492 -3.927 204 HG13 ILE 32 2HG1 ILE 32 -9.969 -6.873 -3.559 205 HG21 ILE 32 1HG2 ILE 32 -10.273 -10.040 -4.975 206 HG22 ILE 32 2HG2 ILE 32 -9.231 -10.292 -3.576 207 HG23 ILE 32 3HG2 ILE 32 -10.590 -9.172 -3.474 208 HD11 ILE 32 1HD1 ILE 32 -9.144 -8.508 -1.870 209 HD12 ILE 32 2HD1 ILE 32 -7.514 -7.901 -2.165 210 HD13 ILE 32 3HD1 ILE 32 -8.753 -6.825 -1.519 211 H GLN 33 H GLN 33 -7.163 -8.707 -7.259 212 HA GLN 33 HA GLN 33 -7.754 -11.511 -7.832 213 HB2 GLN 33 1HB GLN 33 -7.563 -9.051 -9.562 214 HB3 GLN 33 2HB GLN 33 -7.676 -10.669 -10.243 215 HG2 GLN 33 1HG GLN 33 -9.719 -9.048 -8.843 216 HG3 GLN 33 2HG GLN 33 -9.871 -10.097 -10.251 217 HE21 GLN 33 1HE2 GLN 33 -10.049 -9.864 -6.830 218 HE22 GLN 33 2HE2 GLN 33 -10.594 -11.475 -6.527 219 H SER 34 H SER 34 -5.228 -10.680 -6.600 220 HA SER 34 HA SER 34 -3.366 -11.515 -8.728 221 HB2 SER 34 1HB SER 34 -3.082 -9.181 -7.676 222 HB3 SER 34 2HB SER 34 -2.533 -10.038 -6.236 223 HG SER 34 HG SER 34 -0.688 -10.323 -7.180 224 H ASP 35 H ASP 35 -2.536 -13.472 -8.495 225 HA ASP 35 HA ASP 35 -2.891 -14.925 -6.019 226 HB2 ASP 35 1HB ASP 35 -3.101 -15.787 -8.498 227 HB3 ASP 35 2HB ASP 35 -1.362 -16.023 -8.346 228 H GLY 36 H GLY 36 -0.940 -12.626 -6.321 229 HA2 GLY 36 1HA GLY 36 1.398 -14.077 -5.253 230 HA3 GLY 36 2HA GLY 36 1.595 -12.745 -6.383 231 H LEU 37 H LEU 37 2.840 -11.575 -4.888 232 HA LEU 37 HA LEU 37 1.469 -10.690 -2.453 233 HB2 LEU 37 1HB LEU 37 3.943 -11.587 -2.656 234 HB3 LEU 37 2HB LEU 37 4.269 -9.911 -3.092 235 HG LEU 37 HG LEU 37 3.127 -9.287 -0.901 236 HD11 LEU 37 1HD1 LEU 37 1.997 -11.333 -0.400 237 HD12 LEU 37 2HD1 LEU 37 3.232 -11.074 0.830 238 HD13 LEU 37 3HD1 LEU 37 3.506 -12.243 -0.462 239 HD21 LEU 37 1HD2 LEU 37 5.252 -10.215 0.385 240 HD22 LEU 37 2HD2 LEU 37 5.370 -8.913 -0.798 241 HD23 LEU 37 3HD2 LEU 37 5.782 -10.565 -1.260 242 H TRP 38 H TRP 38 0.943 -8.587 -2.078 243 HA TRP 38 HA TRP 38 1.616 -6.623 -4.162 244 HB2 TRP 38 1HB TRP 38 -1.044 -7.524 -3.268 245 HB3 TRP 38 2HB TRP 38 -0.847 -5.776 -3.354 246 HD1 TRP 38 HD TRP 38 -1.069 -8.877 -5.548 247 HE1 TRP 38 1HE TRP 38 -1.304 -8.146 -8.005 248 HE3 TRP 38 3HE TRP 38 -0.210 -3.868 -4.991 249 HZ2 TRP 38 2HZ TRP 38 -1.145 -5.762 -9.508 250 HZ3 TRP 38 3HZ TRP 38 -0.268 -2.432 -6.988 251 HH2 TRP 38 HH TRP 38 -0.726 -3.361 -9.199 252 H LEU 39 H LEU 39 2.372 -4.744 -3.410 253 HA LEU 39 HA LEU 39 2.121 -4.223 -0.522 254 HB2 LEU 39 1HB LEU 39 4.342 -3.920 -2.450 255 HB3 LEU 39 2HB LEU 39 4.180 -2.659 -1.230 256 HG LEU 39 HG LEU 39 4.398 -5.590 -0.566 257 HD11 LEU 39 1HD1 LEU 39 6.594 -5.529 -0.862 258 HD12 LEU 39 2HD1 LEU 39 6.730 -4.045 0.079 259 HD13 LEU 39 3HD1 LEU 39 6.402 -3.964 -1.652 260 HD21 LEU 39 1HD2 LEU 39 5.275 -4.373 1.596 261 HD22 LEU 39 2HD2 LEU 39 3.549 -4.611 1.322 262 HD23 LEU 39 3HD2 LEU 39 4.289 -3.047 0.979 263 H VAL 40 H VAL 40 0.399 -2.887 -0.366 264 HA VAL 40 HA VAL 40 0.258 -0.562 -2.153 265 HB VAL 40 HB VAL 40 -1.855 -1.503 -0.215 266 HG11 VAL 40 1HG1 VAL 40 -2.366 0.692 -0.740 267 HG12 VAL 40 2HG1 VAL 40 -1.736 0.555 -2.382 268 HG13 VAL 40 3HG1 VAL 40 -3.271 -0.204 -1.959 269 HG21 VAL 40 1HG2 VAL 40 -1.433 -2.200 -3.113 270 HG22 VAL 40 2HG2 VAL 40 -1.552 -3.300 -1.739 271 HG23 VAL 40 3HG2 VAL 40 -2.974 -2.410 -2.281 272 H GLU 41 H GLU 41 0.869 1.368 -1.444 273 HA GLU 41 HA GLU 41 1.028 1.803 1.467 274 HB2 GLU 41 1HB GLU 41 3.229 2.006 0.865 275 HB3 GLU 41 2HB GLU 41 2.847 2.527 -0.770 276 HG2 GLU 41 1HG GLU 41 2.088 4.414 1.346 277 HG3 GLU 41 2HG GLU 41 3.820 4.137 1.167 278 H PHE 42 H PHE 42 -0.447 3.159 2.214 279 HA PHE 42 HA PHE 42 -1.860 4.942 0.429 280 HB2 PHE 42 1HB PHE 42 -2.162 4.493 3.406 281 HB3 PHE 42 2HB PHE 42 -3.248 5.450 2.404 282 HD1 PHE 42 1HD PHE 42 -1.880 2.020 2.801 283 HD2 PHE 42 2HD PHE 42 -5.065 4.450 1.364 284 HE1 PHE 42 1HE PHE 42 -3.195 0.000 2.310 285 HE2 PHE 42 2HE PHE 42 -6.386 2.434 0.872 286 HZ PHE 42 HZ PHE 42 -5.452 0.205 1.345 287 H TYR 43 H TYR 43 -0.891 6.787 -0.113 288 HA TYR 43 HA TYR 43 0.531 8.289 1.984 289 HB2 TYR 43 1HB TYR 43 1.929 9.235 0.307 290 HB3 TYR 43 2HB TYR 43 1.860 7.509 -0.026 291 HD1 TYR 43 1HD TYR 43 0.523 10.801 -1.080 292 HD2 TYR 43 2HD TYR 43 1.058 6.704 -2.096 293 HE1 TYR 43 1HE TYR 43 -0.206 11.282 -3.379 294 HE2 TYR 43 2HE TYR 43 0.332 7.174 -4.398 295 HH TYR 43 HH TYR 43 0.374 9.753 -5.851 296 H ALA 44 H ALA 44 0.604 10.745 1.325 297 HA ALA 44 HA ALA 44 -2.047 11.603 0.393 298 HB1 ALA 44 1HB ALA 44 -2.411 11.750 2.676 299 HB2 ALA 44 2HB ALA 44 -0.751 12.246 3.012 300 HB3 ALA 44 3HB ALA 44 -1.876 13.381 2.267 301 HA PRO 45 HA PRO 45 0.628 14.230 -2.020 302 HB2 PRO 45 1HB PRO 45 -1.367 15.472 -3.380 303 HB3 PRO 45 2HB PRO 45 -0.816 13.837 -3.764 304 HG2 PRO 45 1HG PRO 45 -3.192 14.709 -2.165 305 HG3 PRO 45 2HG PRO 45 -3.072 13.425 -3.383 306 HD2 PRO 45 1HD PRO 45 -3.032 12.918 -0.724 307 HD3 PRO 45 2HD PRO 45 -2.140 11.929 -1.898 308 H TRP 46 H TRP 46 -1.132 14.999 0.611 309 HA TRP 46 HA TRP 46 -0.621 17.887 0.310 310 HB2 TRP 46 1HB TRP 46 -2.442 18.221 1.992 311 HB3 TRP 46 2HB TRP 46 -2.998 17.531 0.469 312 HD1 TRP 46 HD TRP 46 -4.444 15.420 0.659 313 HE1 TRP 46 1HE TRP 46 -4.992 13.732 2.523 314 HE3 TRP 46 3HE TRP 46 -1.200 17.087 4.242 315 HZ2 TRP 46 2HZ TRP 46 -4.160 13.180 5.163 316 HZ3 TRP 46 3HZ TRP 46 -1.139 15.924 6.409 317 HH2 TRP 46 HH TRP 46 -2.589 14.012 6.859 318 H CYS 47 H CYS 47 0.167 15.055 1.965 319 HA CYS 47 HA CYS 47 0.994 16.387 4.412 320 HB2 CYS 47 1HB CYS 47 0.057 13.912 4.034 321 HB3 CYS 47 2HB CYS 47 1.773 13.571 3.846 322 HG CYS 47 HG CYS 47 0.070 13.823 6.588 323 H GLY 48 H GLY 48 3.295 15.442 5.184 324 HA2 GLY 48 1HA GLY 48 5.170 16.349 3.103 325 HA3 GLY 48 2HA GLY 48 5.461 16.423 4.835 326 H HIS 49 H HIS 49 5.423 14.181 5.919 327 HA HIS 49 HA HIS 49 7.570 12.696 5.067 328 HB2 HIS 49 1HB HIS 49 6.526 10.816 6.472 329 HB3 HIS 49 2HB HIS 49 6.864 12.343 7.283 330 HD1 HIS 49 1HD HIS 49 5.067 12.502 8.993 331 HD2 HIS 49 2HD HIS 49 3.586 11.428 5.263 332 HE1 HIS 49 1HE HIS 49 2.565 12.493 9.241 333 HE2 HIS 49 2HE HIS 49 1.693 11.758 6.995 334 H CYS 50 H CYS 50 4.421 12.735 3.762 335 HA CYS 50 HA CYS 50 4.576 10.104 2.569 336 HB2 CYS 50 1HB CYS 50 2.578 12.343 2.506 337 HB3 CYS 50 2HB CYS 50 2.478 11.039 1.329 338 HG CYS 50 HG CYS 50 1.015 11.067 4.094 339 H GLN 51 H GLN 51 4.653 13.472 1.433 340 HA GLN 51 HA GLN 51 5.045 12.885 -1.288 341 HB2 GLN 51 1HB GLN 51 5.878 15.324 0.292 342 HB3 GLN 51 2HB GLN 51 5.850 15.222 -1.464 343 HG2 GLN 51 1HG GLN 51 3.502 15.071 -1.520 344 HG3 GLN 51 2HG GLN 51 3.405 14.755 0.212 345 HE21 GLN 51 1HE2 GLN 51 1.819 16.539 0.018 346 HE22 GLN 51 2HE2 GLN 51 2.405 18.158 0.163 347 H ARG 52 H ARG 52 7.182 12.787 1.406 348 HA ARG 52 HA ARG 52 9.577 12.880 -0.242 349 HB2 ARG 52 1HB ARG 52 10.782 12.621 1.894 350 HB3 ARG 52 2HB ARG 52 9.657 13.972 1.928 351 HG2 ARG 52 1HG ARG 52 9.190 13.048 3.947 352 HG3 ARG 52 2HG ARG 52 8.049 12.141 2.951 353 HD2 ARG 52 1HD ARG 52 9.130 10.542 4.305 354 HD3 ARG 52 2HD ARG 52 9.864 10.393 2.709 355 HE ARG 52 HE ARG 52 11.528 12.100 3.953 356 HH11 ARG 52 2HH1 ARG 52 10.200 9.018 4.881 357 HH12 ARG 52 1HH1 ARG 52 11.566 8.575 5.850 358 HH21 ARG 52 2HH2 ARG 52 13.332 11.527 5.225 359 HH22 ARG 52 1HH2 ARG 52 13.347 10.003 6.046 360 H LEU 53 H LEU 53 7.325 10.588 0.663 361 HA LEU 53 HA LEU 53 9.229 8.372 0.721 362 HB2 LEU 53 1HB LEU 53 7.337 8.508 2.346 363 HB3 LEU 53 2HB LEU 53 6.229 8.291 0.993 364 HG LEU 53 HG LEU 53 7.240 6.073 0.570 365 HD11 LEU 53 1HD1 LEU 53 8.471 5.543 3.032 366 HD12 LEU 53 2HD1 LEU 53 9.180 7.046 2.443 367 HD13 LEU 53 3HD1 LEU 53 9.224 5.599 1.438 368 HD21 LEU 53 1HD2 LEU 53 6.357 6.236 3.434 369 HD22 LEU 53 2HD2 LEU 53 6.050 4.963 2.252 370 HD23 LEU 53 3HD2 LEU 53 5.241 6.523 2.099 371 H THR 54 H THR 54 8.047 10.136 -1.640 372 HA THR 54 HA THR 54 6.764 8.337 -3.391 373 HB THR 54 HB THR 54 8.466 10.486 -4.547 374 HG1 THR 54 1HG THR 54 6.076 11.111 -3.139 375 HG21 THR 54 1HG2 THR 54 7.053 10.175 -6.240 376 HG22 THR 54 2HG2 THR 54 5.698 10.636 -5.209 377 HG23 THR 54 3HG2 THR 54 6.204 8.949 -5.299 378 HA PRO 55 HA PRO 55 11.188 7.705 -5.283 379 HB2 PRO 55 1HB PRO 55 13.281 8.366 -3.685 380 HB3 PRO 55 2HB PRO 55 12.541 9.503 -4.817 381 HG2 PRO 55 1HG PRO 55 12.120 9.223 -1.867 382 HG3 PRO 55 2HG PRO 55 12.309 10.696 -2.835 383 HD2 PRO 55 1HD PRO 55 9.893 9.799 -2.006 384 HD3 PRO 55 2HD PRO 55 10.115 10.667 -3.538 385 H GLU 56 H GLU 56 11.408 7.486 -1.723 386 HA GLU 56 HA GLU 56 12.834 5.134 -1.533 387 HB2 GLU 56 1HB GLU 56 10.696 6.282 0.256 388 HB3 GLU 56 2HB GLU 56 11.595 4.830 0.676 389 HG2 GLU 56 1HG GLU 56 12.916 6.315 1.727 390 HG3 GLU 56 2HG GLU 56 13.644 6.450 0.127 391 H TRP 57 H TRP 57 9.349 5.569 -1.931 392 HA TRP 57 HA TRP 57 8.748 2.779 -1.761 393 HB2 TRP 57 1HB TRP 57 7.158 4.729 -1.308 394 HB3 TRP 57 2HB TRP 57 7.013 4.878 -3.057 395 HD1 TRP 57 HD TRP 57 4.869 3.767 -3.870 396 HE1 TRP 57 1HE TRP 57 3.509 1.675 -3.241 397 HE3 TRP 57 3HE TRP 57 7.738 2.070 0.007 398 HZ2 TRP 57 2HZ TRP 57 3.636 -0.418 -1.350 399 HZ3 TRP 57 3HZ TRP 57 7.049 0.017 1.173 400 HH2 TRP 57 HH TRP 57 5.039 -1.200 0.507 401 H LYS 58 H LYS 58 8.962 5.096 -4.452 402 HA LYS 58 HA LYS 58 8.301 3.464 -6.560 403 HB2 LYS 58 1HB LYS 58 10.237 5.746 -6.315 404 HB3 LYS 58 2HB LYS 58 10.056 4.893 -7.842 405 HG2 LYS 58 1HG LYS 58 7.764 5.508 -8.007 406 HG3 LYS 58 2HG LYS 58 7.756 6.140 -6.359 407 HD2 LYS 58 1HD LYS 58 9.409 7.850 -7.055 408 HD3 LYS 58 2HD LYS 58 9.286 7.252 -8.711 409 HE2 LYS 58 1HE LYS 58 6.967 7.863 -8.817 410 HE3 LYS 58 2HE LYS 58 6.952 8.283 -7.105 411 HZ1 LYS 58 1HZ LYS 58 8.545 9.669 -9.195 412 HZ2 LYS 58 2HZ LYS 58 8.479 10.086 -7.557 413 HZ3 LYS 58 3HZ LYS 58 7.101 10.243 -8.526 414 H LYS 59 H LYS 59 11.544 3.916 -5.163 415 HA LYS 59 HA LYS 59 13.015 2.270 -6.792 416 HB2 LYS 59 1HB LYS 59 13.216 2.982 -3.895 417 HB3 LYS 59 2HB LYS 59 14.290 1.750 -4.543 418 HG2 LYS 59 1HG LYS 59 15.072 3.362 -6.235 419 HG3 LYS 59 2HG LYS 59 14.048 4.595 -5.498 420 HD2 LYS 59 1HD LYS 59 16.047 3.100 -3.845 421 HD3 LYS 59 2HD LYS 59 16.556 4.464 -4.843 422 HE2 LYS 59 1HE LYS 59 14.984 5.917 -3.707 423 HE3 LYS 59 2HE LYS 59 14.371 4.559 -2.765 424 HZ1 LYS 59 1HZ LYS 59 16.079 6.100 -1.689 425 HZ2 LYS 59 2HZ LYS 59 17.222 5.317 -2.660 426 HZ3 LYS 59 3HZ LYS 59 16.319 4.432 -1.535 427 H ALA 60 H ALA 60 11.292 1.298 -3.828 428 HA ALA 60 HA ALA 60 11.897 -1.416 -3.902 429 HB1 ALA 60 1HB ALA 60 10.248 -1.717 -2.294 430 HB2 ALA 60 2HB ALA 60 10.714 -0.029 -2.080 431 HB3 ALA 60 3HB ALA 60 9.234 -0.432 -2.950 432 H ALA 61 H ALA 61 9.476 0.417 -5.650 433 HA ALA 61 HA ALA 61 7.973 -1.804 -6.585 434 HB1 ALA 61 1HB ALA 61 7.773 0.326 -8.438 435 HB2 ALA 61 2HB ALA 61 6.620 -0.157 -7.194 436 HB3 ALA 61 3HB ALA 61 7.871 1.029 -6.823 437 H THR 62 H THR 62 10.642 0.081 -7.958 438 HA THR 62 HA THR 62 10.706 -1.139 -10.482 439 HB THR 62 HB THR 62 13.018 0.036 -8.924 440 HG1 THR 62 1HG THR 62 11.234 1.482 -9.323 441 HG21 THR 62 1HG2 THR 62 13.398 -1.478 -11.032 442 HG22 THR 62 2HG2 THR 62 14.273 0.043 -10.860 443 HG23 THR 62 3HG2 THR 62 12.856 -0.046 -11.905 444 H ALA 63 H ALA 63 12.311 -1.988 -7.444 445 HA ALA 63 HA ALA 63 13.757 -4.187 -8.580 446 HB1 ALA 63 1HB ALA 63 14.386 -2.822 -6.514 447 HB2 ALA 63 2HB ALA 63 13.210 -3.816 -5.653 448 HB3 ALA 63 3HB ALA 63 14.601 -4.570 -6.431 449 H LEU 64 H LEU 64 10.871 -3.877 -6.531 450 HA LEU 64 HA LEU 64 10.376 -6.733 -6.667 451 HB2 LEU 64 1HB LEU 64 8.549 -4.649 -5.508 452 HB3 LEU 64 2HB LEU 64 8.624 -6.368 -5.127 453 HG LEU 64 HG LEU 64 10.948 -4.582 -4.513 454 HD11 LEU 64 1HD1 LEU 64 10.032 -4.144 -2.314 455 HD12 LEU 64 2HD1 LEU 64 8.550 -5.002 -2.735 456 HD13 LEU 64 3HD1 LEU 64 8.961 -3.498 -3.558 457 HD21 LEU 64 1HD2 LEU 64 9.939 -7.259 -3.676 458 HD22 LEU 64 2HD2 LEU 64 10.920 -6.320 -2.550 459 HD23 LEU 64 3HD2 LEU 64 11.568 -6.759 -4.132 460 H LYS 65 H LYS 65 10.027 -4.430 -8.855 461 HA LYS 65 HA LYS 65 7.430 -4.296 -9.720 462 HB2 LYS 65 1HB LYS 65 8.835 -3.011 -11.006 463 HB3 LYS 65 2HB LYS 65 10.066 -4.263 -11.106 464 HG2 LYS 65 1HG LYS 65 8.579 -5.513 -12.658 465 HG3 LYS 65 2HG LYS 65 7.482 -4.130 -12.642 466 HD2 LYS 65 1HD LYS 65 8.723 -3.634 -14.501 467 HD3 LYS 65 2HD LYS 65 9.680 -2.814 -13.265 468 HE2 LYS 65 1HE LYS 65 11.371 -4.351 -13.361 469 HE3 LYS 65 2HE LYS 65 10.300 -5.660 -13.860 470 HZ1 LYS 65 1HZ LYS 65 11.096 -3.392 -15.603 471 HZ2 LYS 65 2HZ LYS 65 10.206 -4.756 -16.060 472 HZ3 LYS 65 3HZ LYS 65 11.832 -4.916 -15.623 473 H ASP 66 H ASP 66 9.786 -6.852 -10.456 474 HA ASP 66 HA ASP 66 7.681 -8.444 -11.707 475 HB2 ASP 66 1HB ASP 66 10.673 -8.596 -11.639 476 HB3 ASP 66 2HB ASP 66 9.738 -10.035 -12.040 477 H VAL 67 H VAL 67 9.394 -8.162 -8.750 478 HA VAL 67 HA VAL 67 8.888 -10.881 -7.893 479 HB VAL 67 HB VAL 67 9.724 -8.677 -6.040 480 HG11 VAL 67 1HG1 VAL 67 11.027 -10.524 -5.025 481 HG12 VAL 67 2HG1 VAL 67 9.289 -10.828 -5.045 482 HG13 VAL 67 3HG1 VAL 67 10.338 -11.623 -6.219 483 HG21 VAL 67 1HG2 VAL 67 11.555 -8.235 -7.217 484 HG22 VAL 67 2HG2 VAL 67 12.050 -9.917 -7.025 485 HG23 VAL 67 3HG2 VAL 67 11.105 -9.431 -8.433 486 H VAL 68 H VAL 68 8.067 -7.762 -6.372 487 HA VAL 68 HA VAL 68 5.433 -8.898 -5.689 488 HB VAL 68 HB VAL 68 7.093 -7.002 -4.021 489 HG11 VAL 68 1HG1 VAL 68 4.941 -6.360 -3.517 490 HG12 VAL 68 2HG1 VAL 68 4.278 -7.969 -3.809 491 HG13 VAL 68 3HG1 VAL 68 5.200 -7.647 -2.339 492 HG21 VAL 68 1HG2 VAL 68 8.076 -8.911 -3.373 493 HG22 VAL 68 2HG2 VAL 68 6.580 -9.201 -2.486 494 HG23 VAL 68 3HG2 VAL 68 6.811 -9.916 -4.081 495 H LYS 69 H LYS 69 3.758 -7.818 -6.480 496 HA LYS 69 HA LYS 69 4.026 -5.496 -8.043 497 HB2 LYS 69 1HB LYS 69 1.621 -6.855 -6.833 498 HB3 LYS 69 2HB LYS 69 1.485 -5.436 -7.863 499 HG2 LYS 69 1HG LYS 69 3.040 -7.752 -8.878 500 HG3 LYS 69 2HG LYS 69 1.280 -7.880 -8.827 501 HD2 LYS 69 1HD LYS 69 1.021 -5.983 -10.239 502 HD3 LYS 69 2HD LYS 69 2.731 -5.567 -10.100 503 HE2 LYS 69 1HE LYS 69 2.200 -6.622 -12.257 504 HE3 LYS 69 2HE LYS 69 3.347 -7.572 -11.314 505 HZ1 LYS 69 1HZ LYS 69 0.826 -8.339 -12.316 506 HZ2 LYS 69 2HZ LYS 69 0.808 -8.458 -10.629 507 HZ3 LYS 69 3HZ LYS 69 1.983 -9.285 -11.523 508 H VAL 70 H VAL 70 4.850 -3.720 -7.060 509 HA VAL 70 HA VAL 70 3.719 -2.827 -4.519 510 HB VAL 70 HB VAL 70 6.032 -1.720 -6.118 511 HG11 VAL 70 1HG1 VAL 70 5.802 -1.028 -3.283 512 HG12 VAL 70 2HG1 VAL 70 6.215 -0.018 -4.670 513 HG13 VAL 70 3HG1 VAL 70 4.524 -0.358 -4.297 514 HG21 VAL 70 1HG2 VAL 70 5.967 -4.044 -4.695 515 HG22 VAL 70 2HG2 VAL 70 7.415 -3.081 -4.990 516 HG23 VAL 70 3HG2 VAL 70 6.525 -2.893 -3.480 517 H GLY 71 H GLY 71 1.811 -1.819 -4.811 518 HA2 GLY 71 1HA GLY 71 1.531 0.078 -7.031 519 HA3 GLY 71 2HA GLY 71 0.218 -0.572 -6.060 520 H ALA 72 H ALA 72 -0.532 1.621 -5.856 521 HA ALA 72 HA ALA 72 0.354 2.843 -3.442 522 HB1 ALA 72 1HB ALA 72 2.016 3.606 -5.273 523 HB2 ALA 72 2HB ALA 72 0.692 4.641 -5.809 524 HB3 ALA 72 3HB ALA 72 1.337 4.808 -4.176 525 H VAL 73 H VAL 73 -1.388 3.692 -2.513 526 HA VAL 73 HA VAL 73 -3.593 4.609 -4.244 527 HB VAL 73 HB VAL 73 -3.634 2.930 -1.776 528 HG11 VAL 73 1HG1 VAL 73 -6.180 3.553 -1.770 529 HG12 VAL 73 2HG1 VAL 73 -5.012 4.544 -0.893 530 HG13 VAL 73 3HG1 VAL 73 -5.600 5.061 -2.474 531 HG21 VAL 73 1HG2 VAL 73 -5.609 1.972 -3.128 532 HG22 VAL 73 2HG2 VAL 73 -4.965 2.928 -4.462 533 HG23 VAL 73 3HG2 VAL 73 -3.971 1.680 -3.712 534 H ASN 74 H ASN 74 -4.074 6.687 -4.045 535 HA ASN 74 HA ASN 74 -2.830 8.342 -2.092 536 HB2 ASN 74 1HB ASN 74 -3.310 9.229 -4.294 537 HB3 ASN 74 2HB ASN 74 -5.031 8.920 -4.084 538 HD21 ASN 74 1HD2 ASN 74 -4.969 11.268 -4.710 539 HD22 ASN 74 2HD2 ASN 74 -4.883 12.416 -3.422 540 H ALA 75 H ALA 75 -3.498 7.541 -0.075 541 HA ALA 75 HA ALA 75 -5.958 6.925 0.874 542 HB1 ALA 75 1HB ALA 75 -4.955 6.940 2.863 543 HB2 ALA 75 2HB ALA 75 -3.510 7.493 2.016 544 HB3 ALA 75 3HB ALA 75 -4.599 8.664 2.759 545 H ASP 76 H ASP 76 -4.691 10.183 0.358 546 HA ASP 76 HA ASP 76 -6.793 11.613 1.542 547 HB2 ASP 76 1HB ASP 76 -4.669 12.666 0.941 548 HB3 ASP 76 2HB ASP 76 -5.006 12.405 -0.768 549 H LYS 77 H LYS 77 -6.343 10.463 -1.778 550 HA LYS 77 HA LYS 77 -8.893 11.534 -2.623 551 HB2 LYS 77 1HB LYS 77 -7.203 11.572 -4.284 552 HB3 LYS 77 2HB LYS 77 -6.764 9.895 -3.987 553 HG2 LYS 77 1HG LYS 77 -9.190 9.394 -4.762 554 HG3 LYS 77 2HG LYS 77 -9.099 11.004 -5.480 555 HD2 LYS 77 1HD LYS 77 -6.983 8.923 -5.958 556 HD3 LYS 77 2HD LYS 77 -8.440 9.020 -6.950 557 HE2 LYS 77 1HE LYS 77 -6.685 11.411 -6.494 558 HE3 LYS 77 2HE LYS 77 -6.335 10.242 -7.766 559 HZ1 LYS 77 1HZ LYS 77 -7.931 12.376 -8.061 560 HZ2 LYS 77 2HZ LYS 77 -9.068 11.176 -7.705 561 HZ3 LYS 77 3HZ LYS 77 -8.019 10.983 -9.017 562 H HIS 78 H HIS 78 -7.490 8.252 -2.527 563 HA HIS 78 HA HIS 78 -10.114 7.058 -2.702 564 HB2 HIS 78 1HB HIS 78 -7.458 5.701 -2.208 565 HB3 HIS 78 2HB HIS 78 -8.952 4.937 -2.744 566 HD1 HIS 78 1HD HIS 78 -9.732 6.866 -5.010 567 HD2 HIS 78 2HD HIS 78 -5.892 5.396 -4.413 568 HE1 HIS 78 1HE HIS 78 -8.593 7.033 -7.246 569 HE2 HIS 78 2HE HIS 78 -6.299 6.058 -6.880 570 H GLN 79 H GLN 79 -9.794 8.694 -0.424 571 HA GLN 79 HA GLN 79 -9.039 7.666 1.952 572 HB2 GLN 79 1HB GLN 79 -11.459 9.252 1.181 573 HB3 GLN 79 2HB GLN 79 -11.273 8.707 2.843 574 HG2 GLN 79 1HG GLN 79 -9.228 10.336 1.356 575 HG3 GLN 79 2HG GLN 79 -10.457 11.009 2.425 576 HE21 GLN 79 1HE2 GLN 79 -8.253 11.776 3.296 577 HE22 GLN 79 2HE2 GLN 79 -7.583 10.813 4.564 578 H SER 80 H SER 80 -11.915 6.724 0.135 579 HA SER 80 HA SER 80 -13.165 5.118 2.019 580 HB2 SER 80 1HB SER 80 -13.937 5.787 -0.357 581 HB3 SER 80 2HB SER 80 -13.060 4.354 -0.892 582 HG SER 80 HG SER 80 -15.393 4.561 0.620 583 H LEU 81 H LEU 81 -10.690 4.213 -0.367 584 HA LEU 81 HA LEU 81 -10.528 1.500 0.236 585 HB2 LEU 81 1HB LEU 81 -8.480 3.450 -0.781 586 HB3 LEU 81 2HB LEU 81 -8.136 1.732 -0.594 587 HG LEU 81 HG LEU 81 -10.313 2.849 -2.358 588 HD11 LEU 81 1HD1 LEU 81 -7.805 1.631 -3.407 589 HD12 LEU 81 2HD1 LEU 81 -7.795 3.322 -2.906 590 HD13 LEU 81 3HD1 LEU 81 -8.906 2.782 -4.166 591 HD21 LEU 81 1HD2 LEU 81 -10.469 0.633 -3.245 592 HD22 LEU 81 2HD2 LEU 81 -10.612 0.530 -1.490 593 HD23 LEU 81 3HD2 LEU 81 -9.096 0.094 -2.279 594 H GLY 82 H GLY 82 -8.241 4.015 1.340 595 HA2 GLY 82 1HA GLY 82 -6.845 2.515 3.179 596 HA3 GLY 82 2HA GLY 82 -7.112 4.245 3.330 597 H GLY 83 H GLY 83 -9.541 4.697 4.035 598 HA2 GLY 83 1HA GLY 83 -9.768 3.913 6.693 599 HA3 GLY 83 2HA GLY 83 -11.078 4.589 5.736 600 H GLN 84 H GLN 84 -11.181 2.464 3.807 601 HA GLN 84 HA GLN 84 -13.012 0.758 5.053 602 HB2 GLN 84 1HB GLN 84 -13.085 1.108 2.669 603 HB3 GLN 84 2HB GLN 84 -11.473 0.433 2.475 604 HG2 GLN 84 1HG GLN 84 -12.204 -1.743 2.874 605 HG3 GLN 84 2HG GLN 84 -13.710 -1.199 3.611 606 HE21 GLN 84 1HE2 GLN 84 -11.955 -0.967 0.536 607 HE22 GLN 84 2HE2 GLN 84 -13.346 -1.163 -0.469 608 H TYR 85 H TYR 85 -9.611 0.705 5.059 609 HA TYR 85 HA TYR 85 -9.555 -2.122 5.864 610 HB2 TYR 85 1HB TYR 85 -7.472 -0.271 4.745 611 HB3 TYR 85 2HB TYR 85 -6.998 -1.716 5.632 612 HD1 TYR 85 1HD TYR 85 -9.430 -0.812 2.931 613 HD2 TYR 85 2HD TYR 85 -6.496 -3.551 4.342 614 HE1 TYR 85 1HE TYR 85 -9.702 -2.149 0.884 615 HE2 TYR 85 2HE TYR 85 -6.759 -4.895 2.298 616 HH TYR 85 HH TYR 85 -7.548 -4.723 0.071 617 H GLY 86 H GLY 86 -8.602 1.131 6.854 618 HA2 GLY 86 1HA GLY 86 -9.077 1.214 9.428 619 HA3 GLY 86 2HA GLY 86 -7.716 0.102 9.452 620 H VAL 87 H VAL 87 -6.786 1.784 6.982 621 HA VAL 87 HA VAL 87 -4.693 3.114 7.995 622 HB VAL 87 HB VAL 87 -6.411 4.292 5.809 623 HG11 VAL 87 1HG1 VAL 87 -3.427 4.450 6.007 624 HG12 VAL 87 2HG1 VAL 87 -4.540 5.475 5.100 625 HG13 VAL 87 3HG1 VAL 87 -4.452 5.605 6.857 626 HG21 VAL 87 1HG2 VAL 87 -4.659 2.977 4.389 627 HG22 VAL 87 2HG2 VAL 87 -4.519 1.981 5.838 628 HG23 VAL 87 3HG2 VAL 87 -6.077 2.147 5.029 629 H GLN 88 H GLN 88 -4.353 4.686 9.415 630 HA GLN 88 HA GLN 88 -6.475 6.685 9.838 631 HB2 GLN 88 1HB GLN 88 -4.863 5.140 11.843 632 HB3 GLN 88 2HB GLN 88 -5.503 6.726 12.252 633 HG2 GLN 88 1HG GLN 88 -7.768 5.816 11.527 634 HG3 GLN 88 2HG GLN 88 -7.008 4.225 11.572 635 HE21 GLN 88 1HE2 GLN 88 -8.517 3.671 13.216 636 HE22 GLN 88 2HE2 GLN 88 -8.261 4.173 14.849 637 H GLY 89 H GLY 89 -3.033 5.967 9.823 638 HA2 GLY 89 1HA GLY 89 -2.522 8.840 9.440 639 HA3 GLY 89 2HA GLY 89 -1.592 7.949 10.635 640 H PHE 90 H PHE 90 -1.368 9.198 7.674 641 HA PHE 90 HA PHE 90 0.099 6.976 6.469 642 HB2 PHE 90 1HB PHE 90 -0.023 9.552 5.036 643 HB3 PHE 90 2HB PHE 90 -0.322 7.920 4.449 644 HD1 PHE 90 2HD PHE 90 -2.494 6.997 6.140 645 HD2 PHE 90 1HD PHE 90 -1.835 10.828 4.406 646 HE1 PHE 90 2HE PHE 90 -4.916 7.428 6.180 647 HE2 PHE 90 1HE PHE 90 -4.256 11.265 4.444 648 HZ PHE 90 HZ PHE 90 -5.800 9.564 5.330 649 HA PRO 91 HA PRO 91 1.496 7.257 4.452 650 HB2 PRO 91 1HB PRO 91 3.815 5.854 4.292 651 HB3 PRO 91 2HB PRO 91 3.629 7.481 3.627 652 HG2 PRO 91 1HG PRO 91 4.861 6.624 6.216 653 HG3 PRO 91 2HG PRO 91 5.435 7.829 5.049 654 HD2 PRO 91 1HD PRO 91 4.136 8.508 7.326 655 HD3 PRO 91 2HD PRO 91 3.996 9.453 5.829 656 H THR 92 H THR 92 0.692 5.203 4.309 657 HA THR 92 HA THR 92 1.151 3.410 6.601 658 HB THR 92 HB THR 92 -1.461 4.142 5.296 659 HG1 THR 92 1HG THR 92 -0.787 5.287 7.183 660 HG21 THR 92 1HG2 THR 92 -2.152 2.219 7.085 661 HG22 THR 92 2HG2 THR 92 -0.645 1.560 6.449 662 HG23 THR 92 3HG2 THR 92 -1.971 1.944 5.353 663 H ILE 93 H ILE 93 2.409 1.870 5.718 664 HA ILE 93 HA ILE 93 1.843 0.863 3.046 665 HB ILE 93 HB ILE 93 4.034 0.105 4.982 666 HG12 ILE 93 1HG1 ILE 93 4.407 1.647 2.435 667 HG13 ILE 93 2HG1 ILE 93 3.922 2.482 3.907 668 HG21 ILE 93 1HG2 ILE 93 3.165 -1.014 2.431 669 HG22 ILE 93 2HG2 ILE 93 4.876 -0.589 2.471 670 HG23 ILE 93 3HG2 ILE 93 4.214 -1.698 3.672 671 HD11 ILE 93 1HD1 ILE 93 6.251 2.676 3.806 672 HD12 ILE 93 2HD1 ILE 93 5.944 1.411 4.996 673 HD13 ILE 93 3HD1 ILE 93 6.458 0.981 3.365 674 H LYS 94 H LYS 94 0.824 -0.990 2.612 675 HA LYS 94 HA LYS 94 0.341 -2.870 4.827 676 HB2 LYS 94 1HB LYS 94 -1.578 -1.801 2.775 677 HB3 LYS 94 2HB LYS 94 -1.863 -3.348 3.561 678 HG2 LYS 94 1HG LYS 94 -1.352 -0.891 5.186 679 HG3 LYS 94 2HG LYS 94 -2.956 -1.224 4.529 680 HD2 LYS 94 1HD LYS 94 -2.706 -3.538 5.603 681 HD3 LYS 94 2HD LYS 94 -1.363 -2.831 6.505 682 HE2 LYS 94 1HE LYS 94 -2.919 -1.058 7.300 683 HE3 LYS 94 2HE LYS 94 -4.238 -1.918 6.508 684 HZ1 LYS 94 1HZ LYS 94 -3.616 -2.303 9.035 685 HZ2 LYS 94 2HZ LYS 94 -2.575 -3.448 8.353 686 HZ3 LYS 94 3HZ LYS 94 -4.239 -3.541 8.064 687 H ILE 95 H ILE 95 0.616 -5.001 4.397 688 HA ILE 95 HA ILE 95 1.624 -5.673 1.724 689 HB ILE 95 HB ILE 95 1.930 -7.134 4.349 690 HG12 ILE 95 1HG1 ILE 95 4.184 -6.024 2.722 691 HG13 ILE 95 2HG1 ILE 95 3.240 -4.932 3.729 692 HG21 ILE 95 1HG2 ILE 95 3.061 -7.811 1.637 693 HG22 ILE 95 2HG2 ILE 95 3.422 -8.647 3.147 694 HG23 ILE 95 3HG2 ILE 95 1.791 -8.698 2.480 695 HD11 ILE 95 1HD1 ILE 95 4.993 -7.206 4.547 696 HD12 ILE 95 2HD1 ILE 95 5.009 -5.528 5.090 697 HD13 ILE 95 3HD1 ILE 95 3.722 -6.613 5.615 698 H PHE 96 H PHE 96 0.639 -7.129 0.442 699 HA PHE 96 HA PHE 96 -1.745 -8.486 1.519 700 HB2 PHE 96 1HB PHE 96 -1.237 -7.225 -1.166 701 HB3 PHE 96 2HB PHE 96 -2.484 -8.450 -0.956 702 HD1 PHE 96 1HD PHE 96 -1.344 -5.175 0.383 703 HD2 PHE 96 2HD PHE 96 -4.603 -7.839 -0.250 704 HE1 PHE 96 1HE PHE 96 -2.908 -3.441 1.158 705 HE2 PHE 96 2HE PHE 96 -6.172 -6.108 0.522 706 HZ PHE 96 HZ PHE 96 -5.326 -3.905 1.226 707 H GLY 97 H GLY 97 -1.706 -10.635 1.503 708 HA2 GLY 97 1HA GLY 97 -0.457 -12.121 -0.622 709 HA3 GLY 97 2HA GLY 97 0.426 -12.218 0.894 710 H ALA 98 H ALA 98 -0.454 -13.344 2.632 711 HA ALA 98 HA ALA 98 -1.786 -15.665 2.191 712 HB1 ALA 98 1HB ALA 98 -1.007 -14.173 4.472 713 HB2 ALA 98 2HB ALA 98 -2.651 -14.753 4.739 714 HB3 ALA 98 3HB ALA 98 -1.364 -15.897 4.355 715 H ASN 99 H ASN 99 -3.411 -12.818 3.610 716 HA ASN 99 HA ASN 99 -5.897 -13.723 2.311 717 HB2 ASN 99 1HB ASN 99 -5.902 -13.947 4.800 718 HB3 ASN 99 2HB ASN 99 -5.676 -12.205 4.918 719 HD21 ASN 99 1HD2 ASN 99 -7.672 -12.315 6.148 720 HD22 ASN 99 2HD2 ASN 99 -9.180 -12.299 5.304 721 H LYS 100 H LYS 100 -6.168 -12.444 0.591 722 HA LYS 100 HA LYS 100 -5.197 -9.823 0.321 723 HB2 LYS 100 1HB LYS 100 -7.305 -11.392 -1.144 724 HB3 LYS 100 2HB LYS 100 -6.950 -9.722 -1.566 725 HG2 LYS 100 1HG LYS 100 -4.999 -12.016 -1.609 726 HG3 LYS 100 2HG LYS 100 -5.753 -11.256 -3.012 727 HD2 LYS 100 1HD LYS 100 -4.698 -9.088 -2.228 728 HD3 LYS 100 2HD LYS 100 -3.758 -10.065 -1.097 729 HE2 LYS 100 1HE LYS 100 -3.810 -10.576 -4.063 730 HE3 LYS 100 2HE LYS 100 -2.635 -9.511 -3.293 731 HZ1 LYS 100 1HZ LYS 100 -1.477 -11.236 -2.518 732 HZ2 LYS 100 2HZ LYS 100 -2.324 -12.167 -3.647 733 HZ3 LYS 100 3HZ LYS 100 -2.855 -12.094 -2.043 734 H ASN 101 H ASN 101 -7.989 -11.061 1.894 735 HA ASN 101 HA ASN 101 -9.494 -8.607 1.807 736 HB2 ASN 101 1HB ASN 101 -9.848 -11.297 3.041 737 HB3 ASN 101 2HB ASN 101 -10.741 -9.950 3.741 738 HD21 ASN 101 1HD2 ASN 101 -9.932 -11.199 0.515 739 HD22 ASN 101 2HD2 ASN 101 -11.523 -11.023 -0.135 740 H LYS 102 H LYS 102 -7.164 -10.098 3.914 741 HA LYS 102 HA LYS 102 -7.256 -7.716 5.629 742 HB2 LYS 102 1HB LYS 102 -6.782 -10.479 6.737 743 HB3 LYS 102 2HB LYS 102 -7.073 -8.990 7.627 744 HG2 LYS 102 1HG LYS 102 -9.369 -8.937 6.785 745 HG3 LYS 102 2HG LYS 102 -9.075 -10.438 5.904 746 HD2 LYS 102 1HD LYS 102 -8.347 -11.299 8.284 747 HD3 LYS 102 2HD LYS 102 -9.377 -9.975 8.833 748 HE2 LYS 102 1HE LYS 102 -11.288 -10.934 7.987 749 HE3 LYS 102 2HE LYS 102 -10.414 -11.846 6.757 750 HZ1 LYS 102 1HZ LYS 102 -10.358 -13.589 8.097 751 HZ2 LYS 102 2HZ LYS 102 -11.296 -12.750 9.227 752 HZ3 LYS 102 3HZ LYS 102 -9.608 -12.695 9.322 753 HA PRO 103 HA PRO 103 -2.974 -8.200 4.155 754 HB2 PRO 103 1HB PRO 103 -2.383 -5.560 4.382 755 HB3 PRO 103 2HB PRO 103 -3.218 -6.240 2.981 756 HG2 PRO 103 1HG PRO 103 -4.354 -4.808 5.352 757 HG3 PRO 103 2HG PRO 103 -4.767 -4.634 3.636 758 HD2 PRO 103 1HD PRO 103 -6.272 -6.085 5.358 759 HD3 PRO 103 2HD PRO 103 -6.111 -6.507 3.641 760 H GLU 104 H GLU 104 -0.890 -7.356 5.160 761 HA GLU 104 HA GLU 104 -1.128 -7.560 8.081 762 HB2 GLU 104 1HB GLU 104 0.997 -8.336 6.122 763 HB3 GLU 104 2HB GLU 104 1.446 -7.992 7.786 764 HG2 GLU 104 1HG GLU 104 -0.785 -9.889 7.249 765 HG3 GLU 104 2HG GLU 104 0.880 -10.424 7.024 766 H ASP 105 H ASP 105 0.216 -6.243 9.426 767 HA ASP 105 HA ASP 105 0.388 -3.532 8.482 768 HB2 ASP 105 1HB ASP 105 1.463 -4.484 11.123 769 HB3 ASP 105 2HB ASP 105 0.759 -2.922 10.716 770 H TYR 106 H TYR 106 2.049 -2.808 7.342 771 HA TYR 106 HA TYR 106 4.522 -4.160 7.120 772 HB2 TYR 106 1HB TYR 106 3.645 -2.744 5.325 773 HB3 TYR 106 2HB TYR 106 3.796 -1.324 6.353 774 HD1 TYR 106 1HD TYR 106 6.068 -0.517 7.006 775 HD2 TYR 106 2HD TYR 106 5.507 -3.593 4.121 776 HE1 TYR 106 1HE TYR 106 8.364 -0.168 6.196 777 HE2 TYR 106 2HE TYR 106 7.802 -3.254 3.304 778 HH TYR 106 HH TYR 106 10.107 -1.453 4.992 779 H GLN 107 H GLN 107 5.853 -4.349 8.808 780 HA GLN 107 HA GLN 107 6.400 -1.949 10.426 781 HB2 GLN 107 1HB GLN 107 6.183 -4.836 11.110 782 HB3 GLN 107 2HB GLN 107 7.370 -3.883 11.990 783 HG2 GLN 107 1HG GLN 107 5.570 -3.641 13.358 784 HG3 GLN 107 2HG GLN 107 5.343 -2.245 12.305 785 HE21 GLN 107 1HE2 GLN 107 4.497 -5.685 12.491 786 HE22 GLN 107 2HE2 GLN 107 2.887 -5.497 11.895 787 H GLY 108 H GLY 108 7.693 -2.210 7.997 788 HA2 GLY 108 1HA GLY 108 10.422 -3.005 8.808 789 HA3 GLY 108 2HA GLY 108 9.828 -3.110 7.158 790 H GLY 109 H GLY 109 11.974 -1.864 6.991 791 HA2 GLY 109 1HA GLY 109 11.998 0.876 7.789 792 HA3 GLY 109 2HA GLY 109 13.105 0.114 6.656 793 H ARG 110 H ARG 110 11.363 2.677 6.756 794 HA ARG 110 HA ARG 110 9.705 2.370 4.407 795 HB2 ARG 110 1HB ARG 110 10.417 4.841 5.997 796 HB3 ARG 110 2HB ARG 110 9.205 4.759 4.726 797 HG2 ARG 110 1HG ARG 110 8.125 2.927 6.184 798 HG3 ARG 110 2HG ARG 110 9.138 3.582 7.472 799 HD2 ARG 110 1HD ARG 110 7.283 5.266 5.802 800 HD3 ARG 110 2HD ARG 110 6.805 4.523 7.328 801 HE ARG 110 HE ARG 110 9.186 6.160 7.450 802 HH11 ARG 110 2HH1 ARG 110 5.725 6.024 7.797 803 HH12 ARG 110 1HH1 ARG 110 5.640 7.428 8.809 804 HH21 ARG 110 2HH2 ARG 110 9.088 8.009 8.782 805 HH22 ARG 110 1HH2 ARG 110 7.554 8.556 9.368 806 H THR 111 H THR 111 12.294 1.706 3.784 807 HA THR 111 HA THR 111 13.073 3.928 2.016 808 HB THR 111 HB THR 111 15.455 3.119 2.255 809 HG1 THR 111 1HG THR 111 15.635 2.064 4.501 810 HG21 THR 111 1HG2 THR 111 13.985 4.333 4.587 811 HG22 THR 111 2HG2 THR 111 14.903 5.156 3.326 812 HG23 THR 111 3HG2 THR 111 15.742 4.192 4.540 813 H GLY 112 H GLY 112 13.517 3.401 -0.068 814 HA2 GLY 112 1HA GLY 112 12.475 1.339 -1.401 815 HA3 GLY 112 2HA GLY 112 14.004 2.047 -1.900 816 H GLU 113 H GLU 113 15.523 1.171 0.366 817 HA GLU 113 HA GLU 113 16.233 -1.424 -0.552 818 HB2 GLU 113 1HB GLU 113 17.179 -0.485 2.105 819 HB3 GLU 113 2HB GLU 113 18.077 -1.235 0.793 820 HG2 GLU 113 1HG GLU 113 17.535 1.057 -0.405 821 HG3 GLU 113 2HG GLU 113 17.423 1.618 1.263 822 H ALA 114 H ALA 114 15.090 -0.349 2.655 823 HA ALA 114 HA ALA 114 14.695 -2.809 3.817 824 HB1 ALA 114 1HB ALA 114 14.334 -1.222 5.375 825 HB2 ALA 114 2HB ALA 114 13.585 -0.112 4.227 826 HB3 ALA 114 3HB ALA 114 12.647 -1.440 4.909 827 H ILE 115 H ILE 115 12.341 -0.946 1.904 828 HA ILE 115 HA ILE 115 10.185 -2.677 2.076 829 HB ILE 115 HB ILE 115 10.960 -1.049 -0.346 830 HG12 ILE 115 1HG1 ILE 115 8.979 -0.114 1.678 831 HG13 ILE 115 2HG1 ILE 115 10.689 0.020 2.074 832 HG21 ILE 115 1HG2 ILE 115 9.193 -2.762 -0.694 833 HG22 ILE 115 2HG2 ILE 115 8.236 -1.966 0.554 834 HG23 ILE 115 3HG2 ILE 115 8.635 -1.107 -0.933 835 HD11 ILE 115 1HD1 ILE 115 11.092 1.514 0.336 836 HD12 ILE 115 2HD1 ILE 115 9.594 1.094 -0.495 837 HD13 ILE 115 3HD1 ILE 115 9.541 2.027 1.001 838 H VAL 116 H VAL 116 12.881 -2.698 -0.227 839 HA VAL 116 HA VAL 116 11.991 -4.776 -1.870 840 HB VAL 116 HB VAL 116 14.825 -4.011 -1.158 841 HG11 VAL 116 1HG1 VAL 116 15.570 -5.263 -3.021 842 HG12 VAL 116 2HG1 VAL 116 14.505 -6.332 -2.106 843 HG13 VAL 116 3HG1 VAL 116 13.922 -5.553 -3.578 844 HG21 VAL 116 1HG2 VAL 116 14.682 -2.350 -2.652 845 HG22 VAL 116 2HG2 VAL 116 13.792 -3.342 -3.806 846 HG23 VAL 116 3HG2 VAL 116 12.936 -2.537 -2.492 847 H ASP 117 H ASP 117 13.706 -4.836 1.201 848 HA ASP 117 HA ASP 117 14.166 -7.673 1.132 849 HB2 ASP 117 1HB ASP 117 15.497 -5.829 2.409 850 HB3 ASP 117 2HB ASP 117 14.255 -6.030 3.642 851 H ALA 118 H ALA 118 11.793 -5.503 2.555 852 HA ALA 118 HA ALA 118 10.516 -7.404 4.212 853 HB1 ALA 118 1HB ALA 118 8.546 -5.605 3.607 854 HB2 ALA 118 2HB ALA 118 9.740 -5.420 4.893 855 HB3 ALA 118 3HB ALA 118 10.013 -4.669 3.321 856 H ALA 119 H ALA 119 9.773 -6.234 0.936 857 HA ALA 119 HA ALA 119 7.455 -7.711 0.496 858 HB1 ALA 119 1HB ALA 119 8.664 -5.876 -0.938 859 HB2 ALA 119 2HB ALA 119 9.360 -7.277 -1.752 860 HB3 ALA 119 3HB ALA 119 7.610 -7.068 -1.699 861 H LEU 120 H LEU 120 10.843 -8.597 -0.033 862 HA LEU 120 HA LEU 120 10.354 -11.088 -1.255 863 HB2 LEU 120 1HB LEU 120 12.712 -10.105 0.341 864 HB3 LEU 120 2HB LEU 120 12.689 -11.618 -0.564 865 HG LEU 120 HG LEU 120 12.125 -9.056 -1.991 866 HD11 LEU 120 1HD1 LEU 120 14.935 -9.937 -1.924 867 HD12 LEU 120 2HD1 LEU 120 14.338 -9.155 -0.461 868 HD13 LEU 120 3HD1 LEU 120 14.251 -8.313 -2.009 869 HD21 LEU 120 1HD2 LEU 120 11.941 -11.420 -2.964 870 HD22 LEU 120 2HD2 LEU 120 13.704 -11.435 -2.915 871 HD23 LEU 120 3HD2 LEU 120 12.858 -10.222 -3.878 872 H SER 121 H SER 121 11.339 -10.374 2.100 873 HA SER 121 HA SER 121 11.294 -12.833 3.223 874 HB2 SER 121 1HB SER 121 11.576 -10.455 4.298 875 HB3 SER 121 2HB SER 121 9.865 -10.638 4.683 876 HG SER 121 HG SER 121 10.819 -11.549 6.386 877 H ALA 122 H ALA 122 8.454 -10.850 2.501 878 HA ALA 122 HA ALA 122 6.601 -12.761 3.575 879 HB1 ALA 122 1HB ALA 122 6.399 -10.160 2.154 880 HB2 ALA 122 2HB ALA 122 4.993 -11.225 2.144 881 HB3 ALA 122 3HB ALA 122 5.674 -10.680 3.676 882 H LEU 123 H LEU 123 7.656 -11.816 0.323 883 HA LEU 123 HA LEU 123 5.956 -13.265 -1.253 884 HB2 LEU 123 1HB LEU 123 7.934 -11.761 -1.894 885 HB3 LEU 123 2HB LEU 123 8.907 -13.227 -1.790 886 HG LEU 123 HG LEU 123 8.259 -12.675 -4.098 887 HD11 LEU 123 1HD1 LEU 123 7.590 -14.871 -4.737 888 HD12 LEU 123 2HD1 LEU 123 6.888 -15.182 -3.150 889 HD13 LEU 123 3HD1 LEU 123 8.635 -15.021 -3.324 890 HD21 LEU 123 1HD2 LEU 123 5.877 -11.909 -3.072 891 HD22 LEU 123 2HD2 LEU 123 5.466 -13.506 -3.699 892 HD23 LEU 123 3HD2 LEU 123 6.149 -12.285 -4.774 893 H ARG 124 H ARG 124 9.090 -14.472 -0.041 894 HA ARG 124 HA ARG 124 8.866 -17.084 -0.924 895 HB2 ARG 124 1HB ARG 124 10.444 -17.656 0.917 896 HB3 ARG 124 2HB ARG 124 10.945 -16.263 -0.032 897 HG2 ARG 124 1HG ARG 124 9.914 -14.822 1.764 898 HG3 ARG 124 2HG ARG 124 9.769 -16.291 2.730 899 HD2 ARG 124 1HD ARG 124 12.363 -15.331 1.540 900 HD3 ARG 124 2HD ARG 124 11.824 -14.905 3.163 901 HE ARG 124 HE ARG 124 11.796 -17.720 2.766 902 HH11 ARG 124 2HH1 ARG 124 13.906 -15.022 3.389 903 HH12 ARG 124 1HH1 ARG 124 15.108 -15.979 4.189 904 HH21 ARG 124 2HH2 ARG 124 13.372 -18.991 3.817 905 HH22 ARG 124 1HH2 ARG 124 14.804 -18.237 4.431 906 H SER 125 H SER 125 7.805 -15.706 2.173 907 HA SER 125 HA SER 125 6.900 -18.019 3.399 908 HB2 SER 125 1HB SER 125 7.026 -15.913 4.603 909 HB3 SER 125 2HB SER 125 5.775 -15.214 3.575 910 HG SER 125 HG SER 125 4.806 -15.897 5.456 911 H GLY 126 H GLY 126 5.054 -15.769 1.341 912 HA2 GLY 126 1HA GLY 126 3.085 -16.039 0.191 913 HA3 GLY 126 2HA GLY 126 3.619 -17.697 -0.041 914 HA PRO 127 HA PRO 127 -0.286 -17.506 2.583 915 HB2 PRO 127 1HB PRO 127 -1.877 -18.884 0.868 916 HB3 PRO 127 2HB PRO 127 -1.702 -17.126 0.814 917 HG2 PRO 127 1HG PRO 127 -0.372 -19.215 -0.868 918 HG3 PRO 127 2HG PRO 127 -1.076 -17.663 -1.360 919 HD2 PRO 127 1HD PRO 127 1.588 -18.014 -1.026 920 HD3 PRO 127 2HD PRO 127 0.780 -16.468 -0.697 921 H SER 128 H SER 128 0.234 -18.948 4.132 922 HA SER 128 HA SER 128 1.340 -21.474 3.778 923 HB2 SER 128 1HB SER 128 -0.165 -20.165 6.014 924 HB3 SER 128 2HB SER 128 0.220 -21.882 6.122 925 HG SER 128 HG SER 128 2.331 -21.426 6.193 926 H SER 129 H SER 129 -2.058 -20.705 4.547 927 HA SER 129 HA SER 129 -3.998 -21.831 4.166 928 HB2 SER 129 1HB SER 129 -2.949 -21.619 1.776 929 HB3 SER 129 2HB SER 129 -2.694 -23.357 1.935 930 HG SER 129 HG SER 129 -5.218 -22.364 2.576 931 H GLY 130 H GLY 130 -2.325 -22.913 6.117 932 HA2 GLY 130 1HA GLY 130 -2.729 -25.817 5.750 933 HA3 GLY 130 2HA GLY 130 -1.459 -25.122 6.746 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -7.397 -0.631 -21.933 2 HA2 GLY 1 1HA GLY 1 -10.193 0.248 -21.544 3 HA3 GLY 1 2HA GLY 1 -9.138 -0.231 -20.223 4 H SER 2 H SER 2 -6.959 1.077 -20.286 5 HA SER 2 HA SER 2 -5.924 3.079 -19.967 6 HB2 SER 2 1HB SER 2 -6.607 3.291 -22.449 7 HB3 SER 2 2HB SER 2 -7.885 4.356 -21.864 8 HG SER 2 HG SER 2 -5.098 4.712 -21.798 9 H SER 3 H SER 3 -7.860 2.356 -18.130 10 HA SER 3 HA SER 3 -9.777 4.359 -17.606 11 HB2 SER 3 1HB SER 3 -9.940 3.351 -15.373 12 HB3 SER 3 2HB SER 3 -9.897 2.105 -16.620 13 HG SER 3 HG SER 3 -7.464 2.899 -15.525 14 H GLY 4 H GLY 4 -9.782 5.881 -15.807 15 HA2 GLY 4 1HA GLY 4 -8.475 7.061 -14.108 16 HA3 GLY 4 2HA GLY 4 -7.078 6.876 -15.157 17 H SER 5 H SER 5 -6.515 8.629 -16.246 18 HA SER 5 HA SER 5 -8.315 10.249 -17.692 19 HB2 SER 5 1HB SER 5 -8.451 12.223 -16.413 20 HB3 SER 5 2HB SER 5 -8.755 10.935 -15.246 21 HG SER 5 HG SER 5 -6.794 11.234 -14.375 22 H SER 6 H SER 6 -7.196 12.283 -18.507 23 HA SER 6 HA SER 6 -4.669 11.555 -19.563 24 HB2 SER 6 1HB SER 6 -6.526 13.164 -20.500 25 HB3 SER 6 2HB SER 6 -5.633 14.392 -19.604 26 HG SER 6 HG SER 6 -3.831 13.957 -20.827 27 H GLY 7 H GLY 7 -3.273 11.210 -17.813 28 HA2 GLY 7 1HA GLY 7 -1.563 11.843 -16.412 29 HA3 GLY 7 2HA GLY 7 -1.788 13.487 -16.991 30 H ALA 8 H ALA 8 -1.461 12.063 -14.256 31 HA ALA 8 HA ALA 8 -3.833 12.636 -12.796 32 HB1 ALA 8 1HB ALA 8 -1.230 11.537 -12.253 33 HB2 ALA 8 2HB ALA 8 -1.697 12.683 -10.995 34 HB3 ALA 8 3HB ALA 8 -2.746 11.318 -11.378 35 H VAL 9 H VAL 9 -4.035 14.248 -11.091 36 HA VAL 9 HA VAL 9 -2.679 16.766 -11.806 37 HB VAL 9 HB VAL 9 -5.144 16.706 -12.230 38 HG11 VAL 9 1HG1 VAL 9 -6.464 15.777 -10.703 39 HG12 VAL 9 2HG1 VAL 9 -5.146 15.713 -9.531 40 HG13 VAL 9 3HG1 VAL 9 -6.147 17.160 -9.657 41 HG21 VAL 9 1HG2 VAL 9 -5.604 18.869 -11.076 42 HG22 VAL 9 2HG2 VAL 9 -4.095 18.661 -10.188 43 HG23 VAL 9 3HG2 VAL 9 -4.068 18.829 -11.943 44 H SER 10 H SER 10 -3.449 14.537 -9.281 45 HA SER 10 HA SER 10 -2.008 16.249 -7.367 46 HB2 SER 10 1HB SER 10 -4.610 15.859 -7.068 47 HB3 SER 10 2HB SER 10 -4.074 14.329 -6.376 48 HG SER 10 HG SER 10 -3.363 16.944 -5.537 49 H GLY 11 H GLY 11 -2.653 13.056 -8.611 50 HA2 GLY 11 1HA GLY 11 -1.370 11.442 -6.764 51 HA3 GLY 11 2HA GLY 11 -1.432 11.114 -8.490 52 H LEU 12 H LEU 12 0.571 11.758 -5.890 53 HA LEU 12 HA LEU 12 2.661 13.237 -6.978 54 HB2 LEU 12 1HB LEU 12 2.945 10.939 -5.053 55 HB3 LEU 12 2HB LEU 12 4.054 12.293 -5.264 56 HG LEU 12 HG LEU 12 1.236 12.559 -4.221 57 HD11 LEU 12 1HD1 LEU 12 3.120 11.257 -2.868 58 HD12 LEU 12 2HD1 LEU 12 1.965 12.335 -2.085 59 HD13 LEU 12 3HD1 LEU 12 3.591 12.907 -2.459 60 HD21 LEU 12 1HD2 LEU 12 2.804 14.671 -3.355 61 HD22 LEU 12 2HD2 LEU 12 1.597 14.716 -4.640 62 HD23 LEU 12 3HD2 LEU 12 3.293 14.432 -5.033 63 H TYR 13 H TYR 13 2.513 9.681 -6.691 64 HA TYR 13 HA TYR 13 4.756 9.139 -8.253 65 HB2 TYR 13 1HB TYR 13 2.280 7.450 -7.850 66 HB3 TYR 13 2HB TYR 13 3.806 6.865 -8.503 67 HD1 TYR 13 2HD TYR 13 2.197 8.258 -5.473 68 HD2 TYR 13 1HD TYR 13 5.584 6.240 -7.073 69 HE1 TYR 13 2HE TYR 13 2.982 7.777 -3.192 70 HE2 TYR 13 1HE TYR 13 6.377 5.752 -4.797 71 HH TYR 13 HH TYR 13 4.531 5.899 -2.137 72 H SER 14 H SER 14 4.714 7.967 -10.385 73 HA SER 14 HA SER 14 2.700 9.124 -12.195 74 HB2 SER 14 1HB SER 14 4.871 10.349 -12.338 75 HB3 SER 14 2HB SER 14 5.649 8.841 -12.817 76 HG SER 14 HG SER 14 3.467 10.001 -14.208 77 H SER 15 H SER 15 1.682 7.661 -13.387 78 HA SER 15 HA SER 15 1.843 4.974 -13.192 79 HB2 SER 15 1HB SER 15 1.179 6.552 -15.687 80 HB3 SER 15 2HB SER 15 0.827 4.838 -15.470 81 HG SER 15 HG SER 15 -0.082 6.791 -13.641 82 H SER 16 H SER 16 3.854 7.017 -15.222 83 HA SER 16 HA SER 16 5.055 5.123 -16.843 84 HB2 SER 16 1HB SER 16 7.011 6.696 -16.903 85 HB3 SER 16 2HB SER 16 5.458 7.472 -17.211 86 HG SER 16 HG SER 16 5.458 8.156 -15.028 87 H ASP 17 H ASP 17 5.996 6.161 -13.583 88 HA ASP 17 HA ASP 17 8.327 4.714 -13.277 89 HB2 ASP 17 1HB ASP 17 6.385 4.882 -11.001 90 HB3 ASP 17 2HB ASP 17 8.134 5.092 -10.991 91 H ASP 18 H ASP 18 8.273 2.887 -11.364 92 HA ASP 18 HA ASP 18 7.109 0.598 -12.687 93 HB2 ASP 18 1HB ASP 18 8.714 0.722 -10.125 94 HB3 ASP 18 2HB ASP 18 8.349 -0.726 -11.059 95 H VAL 19 H VAL 19 6.370 2.634 -10.004 96 HA VAL 19 HA VAL 19 4.775 0.858 -8.496 97 HB VAL 19 HB VAL 19 4.622 3.868 -8.708 98 HG11 VAL 19 1HG1 VAL 19 3.704 2.646 -6.231 99 HG12 VAL 19 2HG1 VAL 19 2.950 3.893 -7.227 100 HG13 VAL 19 3HG1 VAL 19 2.726 2.189 -7.625 101 HG21 VAL 19 1HG2 VAL 19 5.825 2.292 -6.458 102 HG22 VAL 19 2HG2 VAL 19 6.770 2.710 -7.887 103 HG23 VAL 19 3HG2 VAL 19 6.075 3.985 -6.886 104 H ILE 20 H ILE 20 2.727 0.186 -8.721 105 HA ILE 20 HA ILE 20 1.293 0.960 -11.132 106 HB ILE 20 HB ILE 20 0.742 -1.191 -9.088 107 HG12 ILE 20 1HG1 ILE 20 1.490 -1.492 -11.996 108 HG13 ILE 20 2HG1 ILE 20 2.693 -1.429 -10.713 109 HG21 ILE 20 1HG2 ILE 20 -1.066 -1.941 -10.469 110 HG22 ILE 20 2HG2 ILE 20 -1.327 -0.238 -10.093 111 HG23 ILE 20 3HG2 ILE 20 -0.716 -0.707 -11.680 112 HD11 ILE 20 1HD1 ILE 20 1.765 -3.415 -9.703 113 HD12 ILE 20 2HD1 ILE 20 0.481 -3.457 -10.912 114 HD13 ILE 20 3HD1 ILE 20 2.157 -3.717 -11.395 115 H GLU 21 H GLU 21 -0.240 2.456 -11.132 116 HA GLU 21 HA GLU 21 -1.118 3.747 -8.771 117 HB2 GLU 21 1HB GLU 21 -0.992 4.655 -11.189 118 HB3 GLU 21 2HB GLU 21 -2.568 3.906 -11.399 119 HG2 GLU 21 1HG GLU 21 -3.615 5.382 -10.002 120 HG3 GLU 21 2HG GLU 21 -2.151 5.716 -9.078 121 H LEU 22 H LEU 22 -2.137 2.385 -7.359 122 HA LEU 22 HA LEU 22 -4.268 0.645 -8.228 123 HB2 LEU 22 1HB LEU 22 -3.073 1.305 -5.553 124 HB3 LEU 22 2HB LEU 22 -4.506 0.291 -5.710 125 HG LEU 22 HG LEU 22 -1.780 -0.312 -6.856 126 HD11 LEU 22 1HD1 LEU 22 -3.015 -2.079 -4.856 127 HD12 LEU 22 2HD1 LEU 22 -2.494 -0.504 -4.259 128 HD13 LEU 22 3HD1 LEU 22 -1.336 -1.573 -5.049 129 HD21 LEU 22 1HD2 LEU 22 -3.428 -1.245 -8.296 130 HD22 LEU 22 2HD2 LEU 22 -4.385 -1.821 -6.930 131 HD23 LEU 22 3HD2 LEU 22 -2.819 -2.554 -7.282 132 H THR 23 H THR 23 -6.418 0.970 -8.056 133 HA THR 23 HA THR 23 -7.363 3.380 -6.666 134 HB THR 23 HB THR 23 -8.449 4.269 -8.452 135 HG1 THR 23 1HG THR 23 -9.897 2.793 -9.063 136 HG21 THR 23 1HG2 THR 23 -6.775 2.685 -10.320 137 HG22 THR 23 2HG2 THR 23 -5.938 3.592 -9.060 138 HG23 THR 23 3HG2 THR 23 -6.993 4.430 -10.197 139 HA PRO 24 HA PRO 24 -10.613 0.904 -5.063 140 HB2 PRO 24 1HB PRO 24 -12.735 2.596 -5.118 141 HB3 PRO 24 2HB PRO 24 -11.391 2.779 -3.986 142 HG2 PRO 24 1HG PRO 24 -11.903 4.209 -6.566 143 HG3 PRO 24 2HG PRO 24 -11.339 4.862 -5.017 144 HD2 PRO 24 1HD PRO 24 -9.660 4.344 -7.077 145 HD3 PRO 24 2HD PRO 24 -9.165 4.187 -5.379 146 H SER 25 H SER 25 -10.264 1.180 -8.165 147 HA SER 25 HA SER 25 -12.897 0.033 -8.828 148 HB2 SER 25 1HB SER 25 -11.199 1.994 -10.317 149 HB3 SER 25 2HB SER 25 -12.191 0.861 -11.235 150 HG SER 25 HG SER 25 -12.946 2.990 -9.619 151 H ASN 26 H ASN 26 -9.472 -0.275 -8.919 152 HA ASN 26 HA ASN 26 -9.756 -2.837 -10.343 153 HB2 ASN 26 1HB ASN 26 -7.214 -2.294 -10.914 154 HB3 ASN 26 2HB ASN 26 -8.533 -1.712 -11.926 155 HD21 ASN 26 1HD2 ASN 26 -5.861 -0.866 -10.059 156 HD22 ASN 26 2HD2 ASN 26 -6.075 0.849 -10.081 157 H PHE 27 H PHE 27 -8.683 -1.160 -7.586 158 HA PHE 27 HA PHE 27 -6.550 -2.415 -6.550 159 HB2 PHE 27 1HB PHE 27 -7.998 -0.744 -5.366 160 HB3 PHE 27 2HB PHE 27 -9.107 -2.055 -4.978 161 HD1 PHE 27 1HD PHE 27 -7.963 -4.131 -3.808 162 HD2 PHE 27 2HD PHE 27 -6.408 -0.169 -3.818 163 HE1 PHE 27 1HE PHE 27 -6.650 -4.646 -1.792 164 HE2 PHE 27 2HE PHE 27 -5.092 -0.677 -1.802 165 HZ PHE 27 HZ PHE 27 -5.211 -2.918 -0.787 166 H ASN 28 H ASN 28 -9.679 -3.865 -7.095 167 HA ASN 28 HA ASN 28 -9.005 -6.292 -5.666 168 HB2 ASN 28 1HB ASN 28 -11.338 -5.355 -5.770 169 HB3 ASN 28 2HB ASN 28 -11.373 -5.789 -7.477 170 HD21 ASN 28 1HD2 ASN 28 -11.083 -8.055 -8.011 171 HD22 ASN 28 2HD2 ASN 28 -11.657 -9.258 -6.911 172 H ARG 29 H ARG 29 -9.439 -5.266 -9.030 173 HA ARG 29 HA ARG 29 -8.795 -7.855 -10.091 174 HB2 ARG 29 1HB ARG 29 -9.383 -5.161 -11.230 175 HB3 ARG 29 2HB ARG 29 -8.555 -6.333 -12.247 176 HG2 ARG 29 1HG ARG 29 -10.819 -6.599 -12.747 177 HG3 ARG 29 2HG ARG 29 -10.444 -7.934 -11.656 178 HD2 ARG 29 1HD ARG 29 -11.655 -7.042 -9.928 179 HD3 ARG 29 2HD ARG 29 -11.433 -5.384 -10.486 180 HE ARG 29 HE ARG 29 -13.572 -7.153 -11.163 181 HH11 ARG 29 2HH1 ARG 29 -11.647 -4.490 -12.313 182 HH12 ARG 29 1HH1 ARG 29 -12.867 -3.905 -13.394 183 HH21 ARG 29 2HH2 ARG 29 -15.187 -6.392 -12.583 184 HH22 ARG 29 1HH2 ARG 29 -14.881 -4.987 -13.546 185 H GLU 30 H GLU 30 -6.958 -5.477 -8.696 186 HA GLU 30 HA GLU 30 -4.595 -6.088 -10.337 187 HB2 GLU 30 1HB GLU 30 -5.419 -3.739 -8.709 188 HB3 GLU 30 2HB GLU 30 -3.703 -4.115 -8.771 189 HG2 GLU 30 1HG GLU 30 -5.363 -3.837 -11.252 190 HG3 GLU 30 2HG GLU 30 -4.598 -2.456 -10.469 191 H VAL 31 H VAL 31 -5.597 -5.702 -6.943 192 HA VAL 31 HA VAL 31 -3.273 -7.276 -6.102 193 HB VAL 31 HB VAL 31 -5.261 -5.733 -4.429 194 HG11 VAL 31 1HG1 VAL 31 -4.449 -7.393 -3.015 195 HG12 VAL 31 2HG1 VAL 31 -2.841 -7.361 -3.740 196 HG13 VAL 31 3HG1 VAL 31 -3.370 -6.034 -2.706 197 HG21 VAL 31 1HG2 VAL 31 -2.422 -4.925 -4.622 198 HG22 VAL 31 2HG2 VAL 31 -3.432 -4.619 -6.035 199 HG23 VAL 31 3HG2 VAL 31 -3.875 -3.937 -4.470 200 H ILE 32 H ILE 32 -6.700 -7.081 -5.121 201 HA ILE 32 HA ILE 32 -6.906 -9.510 -3.856 202 HB ILE 32 HB ILE 32 -9.060 -8.261 -5.565 203 HG12 ILE 32 1HG1 ILE 32 -8.108 -6.669 -3.936 204 HG13 ILE 32 2HG1 ILE 32 -9.767 -7.101 -3.536 205 HG21 ILE 32 1HG2 ILE 32 -9.385 -10.634 -4.769 206 HG22 ILE 32 2HG2 ILE 32 -9.386 -9.992 -3.127 207 HG23 ILE 32 3HG2 ILE 32 -10.625 -9.482 -4.274 208 HD11 ILE 32 1HD1 ILE 32 -8.242 -6.985 -1.587 209 HD12 ILE 32 2HD1 ILE 32 -9.029 -8.551 -1.787 210 HD13 ILE 32 3HD1 ILE 32 -7.344 -8.344 -2.263 211 H GLN 33 H GLN 33 -6.924 -8.840 -7.293 212 HA GLN 33 HA GLN 33 -7.483 -11.649 -7.894 213 HB2 GLN 33 1HB GLN 33 -7.380 -9.166 -9.597 214 HB3 GLN 33 2HB GLN 33 -7.464 -10.777 -10.296 215 HG2 GLN 33 1HG GLN 33 -9.525 -9.221 -8.852 216 HG3 GLN 33 2HG GLN 33 -9.672 -10.268 -10.263 217 HE21 GLN 33 1HE2 GLN 33 -9.769 -10.063 -6.831 218 HE22 GLN 33 2HE2 GLN 33 -10.281 -11.685 -6.529 219 H SER 34 H SER 34 -4.965 -10.798 -6.685 220 HA SER 34 HA SER 34 -3.151 -11.778 -8.784 221 HB2 SER 34 1HB SER 34 -2.809 -9.347 -8.474 222 HB3 SER 34 2HB SER 34 -2.486 -9.623 -6.763 223 HG SER 34 HG SER 34 -0.516 -10.067 -7.298 224 H ASP 35 H ASP 35 -2.811 -13.811 -8.100 225 HA ASP 35 HA ASP 35 -2.834 -14.754 -5.492 226 HB2 ASP 35 1HB ASP 35 -1.790 -16.745 -6.325 227 HB3 ASP 35 2HB ASP 35 -2.861 -16.143 -7.587 228 H GLY 36 H GLY 36 -0.273 -13.191 -7.288 229 HA2 GLY 36 1HA GLY 36 1.855 -13.891 -5.534 230 HA3 GLY 36 2HA GLY 36 1.868 -12.582 -6.707 231 H LEU 37 H LEU 37 3.180 -11.857 -4.653 232 HA LEU 37 HA LEU 37 1.557 -10.827 -2.505 233 HB2 LEU 37 1HB LEU 37 4.079 -11.620 -2.552 234 HB3 LEU 37 2HB LEU 37 4.357 -9.924 -2.946 235 HG LEU 37 HG LEU 37 3.052 -9.376 -0.833 236 HD11 LEU 37 1HD1 LEU 37 2.604 -12.130 -0.852 237 HD12 LEU 37 2HD1 LEU 37 2.205 -10.990 0.433 238 HD13 LEU 37 3HD1 LEU 37 3.744 -11.851 0.465 239 HD21 LEU 37 1HD2 LEU 37 5.572 -9.352 -1.159 240 HD22 LEU 37 2HD2 LEU 37 5.588 -10.912 -0.337 241 HD23 LEU 37 3HD2 LEU 37 4.988 -9.480 0.500 242 H TRP 38 H TRP 38 1.104 -8.678 -2.059 243 HA TRP 38 HA TRP 38 1.734 -6.725 -4.162 244 HB2 TRP 38 1HB TRP 38 -0.916 -7.677 -3.309 245 HB3 TRP 38 2HB TRP 38 -0.756 -5.923 -3.355 246 HD1 TRP 38 HD TRP 38 -0.872 -8.981 -5.620 247 HE1 TRP 38 1HE TRP 38 -1.102 -8.201 -8.063 248 HE3 TRP 38 3HE TRP 38 -0.164 -3.963 -4.941 249 HZ2 TRP 38 2HZ TRP 38 -0.996 -5.780 -9.510 250 HZ3 TRP 38 3HZ TRP 38 -0.243 -2.485 -6.906 251 HH2 TRP 38 HH TRP 38 -0.651 -3.376 -9.142 252 H LEU 39 H LEU 39 2.422 -4.812 -3.420 253 HA LEU 39 HA LEU 39 2.158 -4.295 -0.532 254 HB2 LEU 39 1HB LEU 39 4.374 -3.922 -2.461 255 HB3 LEU 39 2HB LEU 39 4.183 -2.690 -1.216 256 HG LEU 39 HG LEU 39 4.462 -5.626 -0.603 257 HD11 LEU 39 1HD1 LEU 39 6.421 -4.167 -1.784 258 HD12 LEU 39 2HD1 LEU 39 6.700 -5.512 -0.679 259 HD13 LEU 39 3HD1 LEU 39 6.739 -3.855 -0.078 260 HD21 LEU 39 1HD2 LEU 39 4.294 -3.113 0.975 261 HD22 LEU 39 2HD2 LEU 39 5.347 -4.398 1.565 262 HD23 LEU 39 3HD2 LEU 39 3.629 -4.711 1.315 263 H VAL 40 H VAL 40 0.408 -2.997 -0.379 264 HA VAL 40 HA VAL 40 0.218 -0.679 -2.172 265 HB VAL 40 HB VAL 40 -1.872 -1.711 -0.252 266 HG11 VAL 40 1HG1 VAL 40 -1.661 0.625 -1.965 267 HG12 VAL 40 2HG1 VAL 40 -3.104 -0.333 -2.302 268 HG13 VAL 40 3HG1 VAL 40 -2.806 0.271 -0.672 269 HG21 VAL 40 1HG2 VAL 40 -2.033 -3.422 -1.696 270 HG22 VAL 40 2HG2 VAL 40 -2.823 -2.246 -2.747 271 HG23 VAL 40 3HG2 VAL 40 -1.104 -2.588 -2.942 272 H GLU 41 H GLU 41 0.643 1.309 -1.463 273 HA GLU 41 HA GLU 41 0.880 1.722 1.445 274 HB2 GLU 41 1HB GLU 41 3.055 1.929 0.540 275 HB3 GLU 41 2HB GLU 41 2.479 2.845 -0.845 276 HG2 GLU 41 1HG GLU 41 2.044 4.020 1.836 277 HG3 GLU 41 2HG GLU 41 3.695 3.981 1.220 278 H PHE 42 H PHE 42 -0.217 3.362 2.363 279 HA PHE 42 HA PHE 42 -1.931 4.967 0.604 280 HB2 PHE 42 1HB PHE 42 -2.152 4.376 3.562 281 HB3 PHE 42 2HB PHE 42 -3.270 5.388 2.654 282 HD1 PHE 42 1HD PHE 42 -2.016 1.952 3.088 283 HD2 PHE 42 2HD PHE 42 -4.974 4.442 1.308 284 HE1 PHE 42 1HE PHE 42 -3.338 -0.040 2.506 285 HE2 PHE 42 2HE PHE 42 -6.301 2.454 0.725 286 HZ PHE 42 HZ PHE 42 -5.484 0.210 1.324 287 H TYR 43 H TYR 43 -0.773 6.736 0.041 288 HA TYR 43 HA TYR 43 0.490 8.293 2.194 289 HB2 TYR 43 1HB TYR 43 1.968 9.212 0.599 290 HB3 TYR 43 2HB TYR 43 1.866 7.504 0.188 291 HD1 TYR 43 1HD TYR 43 0.667 10.876 -0.765 292 HD2 TYR 43 2HD TYR 43 1.084 6.806 -1.932 293 HE1 TYR 43 1HE TYR 43 0.021 11.475 -3.061 294 HE2 TYR 43 2HE TYR 43 0.440 7.394 -4.232 295 HH TYR 43 HH TYR 43 -0.872 10.457 -5.047 296 H ALA 44 H ALA 44 0.568 10.751 1.489 297 HA ALA 44 HA ALA 44 -2.067 11.567 0.483 298 HB1 ALA 44 1HB ALA 44 -0.854 12.252 3.130 299 HB2 ALA 44 2HB ALA 44 -1.970 13.367 2.341 300 HB3 ALA 44 3HB ALA 44 -2.497 11.735 2.753 301 HA PRO 45 HA PRO 45 0.639 14.204 -1.882 302 HB2 PRO 45 1HB PRO 45 -1.332 15.419 -3.300 303 HB3 PRO 45 2HB PRO 45 -0.758 13.786 -3.658 304 HG2 PRO 45 1HG PRO 45 -3.180 14.648 -2.124 305 HG3 PRO 45 2HG PRO 45 -3.019 13.357 -3.329 306 HD2 PRO 45 1HD PRO 45 -3.040 12.870 -0.666 307 HD3 PRO 45 2HD PRO 45 -2.111 11.880 -1.810 308 H TRP 46 H TRP 46 -1.234 14.983 0.682 309 HA TRP 46 HA TRP 46 -0.758 17.875 0.366 310 HB2 TRP 46 1HB TRP 46 -2.587 18.187 2.035 311 HB3 TRP 46 2HB TRP 46 -3.127 17.440 0.533 312 HD1 TRP 46 HD TRP 46 -4.507 15.292 0.787 313 HE1 TRP 46 1HE TRP 46 -4.992 13.637 2.698 314 HE3 TRP 46 3HE TRP 46 -1.297 17.151 4.306 315 HZ2 TRP 46 2HZ TRP 46 -4.129 13.181 5.347 316 HZ3 TRP 46 3HZ TRP 46 -1.188 16.048 6.503 317 HH2 TRP 46 HH TRP 46 -2.576 14.105 7.011 318 H CYS 47 H CYS 47 0.065 15.074 2.081 319 HA CYS 47 HA CYS 47 0.880 16.463 4.497 320 HB2 CYS 47 1HB CYS 47 -0.004 13.959 4.147 321 HB3 CYS 47 2HB CYS 47 1.722 13.658 3.985 322 HG CYS 47 HG CYS 47 0.340 13.354 6.661 323 H GLY 48 H GLY 48 3.183 15.734 5.309 324 HA2 GLY 48 1HA GLY 48 5.042 16.611 3.214 325 HA3 GLY 48 2HA GLY 48 5.335 16.681 4.946 326 H HIS 49 H HIS 49 5.427 14.477 6.037 327 HA HIS 49 HA HIS 49 7.578 13.034 5.165 328 HB2 HIS 49 1HB HIS 49 6.551 11.112 6.553 329 HB3 HIS 49 2HB HIS 49 6.913 12.628 7.374 330 HD1 HIS 49 1HD HIS 49 5.133 13.063 9.022 331 HD2 HIS 49 2HD HIS 49 3.610 11.470 5.500 332 HE1 HIS 49 1HE HIS 49 2.639 12.994 9.338 333 HE2 HIS 49 2HE HIS 49 1.746 11.948 7.228 334 H CYS 50 H CYS 50 4.277 12.775 4.107 335 HA CYS 50 HA CYS 50 4.493 10.225 2.867 336 HB2 CYS 50 1HB CYS 50 2.557 12.515 2.594 337 HB3 CYS 50 2HB CYS 50 2.437 11.087 1.572 338 HG CYS 50 HG CYS 50 2.032 9.315 3.687 339 H GLN 51 H GLN 51 4.581 13.540 1.569 340 HA GLN 51 HA GLN 51 5.062 12.845 -1.099 341 HB2 GLN 51 1HB GLN 51 5.939 15.334 0.375 342 HB3 GLN 51 2HB GLN 51 5.859 15.154 -1.372 343 HG2 GLN 51 1HG GLN 51 3.474 14.937 -1.301 344 HG3 GLN 51 2HG GLN 51 3.488 14.908 0.462 345 HE21 GLN 51 1HE2 GLN 51 1.944 16.673 0.189 346 HE22 GLN 51 2HE2 GLN 51 2.545 18.280 -0.011 347 H ARG 52 H ARG 52 7.078 12.607 1.622 348 HA ARG 52 HA ARG 52 9.542 12.702 0.060 349 HB2 ARG 52 1HB ARG 52 9.214 12.144 3.011 350 HB3 ARG 52 2HB ARG 52 10.701 12.557 2.169 351 HG2 ARG 52 1HG ARG 52 9.669 14.766 1.609 352 HG3 ARG 52 2HG ARG 52 8.332 14.336 2.677 353 HD2 ARG 52 1HD ARG 52 9.847 15.666 3.941 354 HD3 ARG 52 2HD ARG 52 10.018 14.003 4.500 355 HE ARG 52 HE ARG 52 11.891 14.799 2.449 356 HH11 ARG 52 2HH1 ARG 52 11.253 14.550 5.862 357 HH12 ARG 52 1HH1 ARG 52 12.927 14.556 6.308 358 HH21 ARG 52 2HH2 ARG 52 14.098 14.809 3.023 359 HH22 ARG 52 1HH2 ARG 52 14.545 14.705 4.693 360 H LEU 53 H LEU 53 7.208 10.486 0.616 361 HA LEU 53 HA LEU 53 9.059 8.216 0.823 362 HB2 LEU 53 1HB LEU 53 7.162 8.333 2.409 363 HB3 LEU 53 2HB LEU 53 6.052 8.250 1.042 364 HG LEU 53 HG LEU 53 6.865 6.002 0.518 365 HD11 LEU 53 1HD1 LEU 53 8.829 5.298 1.258 366 HD12 LEU 53 2HD1 LEU 53 8.216 5.333 2.911 367 HD13 LEU 53 3HD1 LEU 53 9.005 6.757 2.233 368 HD21 LEU 53 1HD2 LEU 53 6.100 6.224 3.425 369 HD22 LEU 53 2HD2 LEU 53 5.823 4.856 2.346 370 HD23 LEU 53 3HD2 LEU 53 4.964 6.375 2.084 371 H THR 54 H THR 54 7.836 10.045 -1.529 372 HA THR 54 HA THR 54 6.674 8.199 -3.329 373 HB THR 54 HB THR 54 8.188 10.489 -4.455 374 HG1 THR 54 1HG THR 54 6.254 11.793 -3.665 375 HG21 THR 54 1HG2 THR 54 6.031 8.828 -5.196 376 HG22 THR 54 2HG2 THR 54 6.717 10.179 -6.100 377 HG23 THR 54 3HG2 THR 54 5.374 10.451 -4.990 378 HA PRO 55 HA PRO 55 11.121 7.982 -5.253 379 HB2 PRO 55 1HB PRO 55 13.164 8.808 -3.666 380 HB3 PRO 55 2HB PRO 55 12.312 9.888 -4.776 381 HG2 PRO 55 1HG PRO 55 11.950 9.535 -1.826 382 HG3 PRO 55 2HG PRO 55 11.996 11.031 -2.776 383 HD2 PRO 55 1HD PRO 55 9.679 9.910 -1.936 384 HD3 PRO 55 2HD PRO 55 9.805 10.814 -3.458 385 H GLU 56 H GLU 56 10.701 7.471 -1.797 386 HA GLU 56 HA GLU 56 12.553 5.291 -1.637 387 HB2 GLU 56 1HB GLU 56 10.365 6.185 0.248 388 HB3 GLU 56 2HB GLU 56 11.543 4.931 0.611 389 HG2 GLU 56 1HG GLU 56 12.023 7.866 0.212 390 HG3 GLU 56 2HG GLU 56 12.308 6.897 1.657 391 H TRP 57 H TRP 57 9.024 5.574 -1.821 392 HA TRP 57 HA TRP 57 8.513 2.789 -1.682 393 HB2 TRP 57 1HB TRP 57 6.875 4.716 -1.275 394 HB3 TRP 57 2HB TRP 57 6.721 4.806 -3.028 395 HD1 TRP 57 HD TRP 57 4.579 3.640 -3.766 396 HE1 TRP 57 1HE TRP 57 3.289 1.521 -3.079 397 HE3 TRP 57 3HE TRP 57 7.570 2.078 0.075 398 HZ2 TRP 57 2HZ TRP 57 3.510 -0.540 -1.162 399 HZ3 TRP 57 3HZ TRP 57 6.961 0.024 1.284 400 HH2 TRP 57 HH TRP 57 4.972 -1.256 0.678 401 H LYS 58 H LYS 58 8.896 5.048 -4.379 402 HA LYS 58 HA LYS 58 8.228 3.312 -6.464 403 HB2 LYS 58 1HB LYS 58 9.918 5.772 -6.254 404 HB3 LYS 58 2HB LYS 58 9.942 4.843 -7.747 405 HG2 LYS 58 1HG LYS 58 7.552 5.127 -8.000 406 HG3 LYS 58 2HG LYS 58 7.469 5.979 -6.456 407 HD2 LYS 58 1HD LYS 58 9.283 7.515 -7.615 408 HD3 LYS 58 2HD LYS 58 8.529 6.891 -9.084 409 HE2 LYS 58 1HE LYS 58 6.379 7.709 -8.389 410 HE3 LYS 58 2HE LYS 58 7.017 8.178 -6.814 411 HZ1 LYS 58 1HZ LYS 58 8.511 9.738 -8.019 412 HZ2 LYS 58 2HZ LYS 58 6.868 10.117 -8.150 413 HZ3 LYS 58 3HZ LYS 58 7.672 9.383 -9.445 414 H LYS 59 H LYS 59 11.423 4.046 -5.075 415 HA LYS 59 HA LYS 59 13.075 2.552 -6.623 416 HB2 LYS 59 1HB LYS 59 13.050 3.202 -3.720 417 HB3 LYS 59 2HB LYS 59 14.187 1.974 -4.262 418 HG2 LYS 59 1HG LYS 59 15.032 3.618 -5.944 419 HG3 LYS 59 2HG LYS 59 14.015 4.836 -5.170 420 HD2 LYS 59 1HD LYS 59 15.986 3.218 -3.588 421 HD3 LYS 59 2HD LYS 59 16.483 4.672 -4.457 422 HE2 LYS 59 1HE LYS 59 14.931 6.013 -3.207 423 HE3 LYS 59 2HE LYS 59 14.238 4.582 -2.447 424 HZ1 LYS 59 1HZ LYS 59 16.595 4.202 -1.575 425 HZ2 LYS 59 2HZ LYS 59 15.674 5.424 -0.853 426 HZ3 LYS 59 3HZ LYS 59 16.874 5.822 -1.977 427 H ALA 60 H ALA 60 11.331 1.290 -3.779 428 HA ALA 60 HA ALA 60 12.110 -1.383 -4.082 429 HB1 ALA 60 1HB ALA 60 10.448 0.090 -2.348 430 HB2 ALA 60 2HB ALA 60 9.484 -1.253 -2.964 431 HB3 ALA 60 3HB ALA 60 11.021 -1.567 -2.159 432 H ALA 61 H ALA 61 9.503 0.456 -5.541 433 HA ALA 61 HA ALA 61 8.047 -1.731 -6.590 434 HB1 ALA 61 1HB ALA 61 8.073 1.191 -6.957 435 HB2 ALA 61 2HB ALA 61 7.443 0.253 -8.312 436 HB3 ALA 61 3HB ALA 61 6.720 0.087 -6.711 437 H THR 62 H THR 62 10.852 0.029 -7.701 438 HA THR 62 HA THR 62 10.794 -0.895 -10.391 439 HB THR 62 HB THR 62 13.146 0.108 -8.776 440 HG1 THR 62 1HG THR 62 12.609 2.103 -9.590 441 HG21 THR 62 1HG2 THR 62 14.110 -0.925 -10.624 442 HG22 THR 62 2HG2 THR 62 13.903 0.738 -11.176 443 HG23 THR 62 3HG2 THR 62 12.764 -0.509 -11.683 444 H ALA 63 H ALA 63 12.504 -1.969 -7.474 445 HA ALA 63 HA ALA 63 13.818 -4.137 -8.819 446 HB1 ALA 63 1HB ALA 63 14.789 -3.021 -6.848 447 HB2 ALA 63 2HB ALA 63 13.479 -3.668 -5.859 448 HB3 ALA 63 3HB ALA 63 14.628 -4.764 -6.627 449 H LEU 64 H LEU 64 11.036 -3.829 -6.643 450 HA LEU 64 HA LEU 64 10.476 -6.671 -6.821 451 HB2 LEU 64 1HB LEU 64 8.771 -4.554 -5.536 452 HB3 LEU 64 2HB LEU 64 8.759 -6.289 -5.227 453 HG LEU 64 HG LEU 64 11.197 -4.660 -4.615 454 HD11 LEU 64 1HD1 LEU 64 10.008 -3.431 -3.180 455 HD12 LEU 64 2HD1 LEU 64 9.907 -4.902 -2.213 456 HD13 LEU 64 3HD1 LEU 64 8.594 -4.477 -3.310 457 HD21 LEU 64 1HD2 LEU 64 10.076 -7.318 -3.882 458 HD22 LEU 64 2HD2 LEU 64 11.106 -6.483 -2.719 459 HD23 LEU 64 3HD2 LEU 64 11.723 -6.868 -4.326 460 H LYS 65 H LYS 65 10.154 -4.411 -9.000 461 HA LYS 65 HA LYS 65 7.491 -4.203 -9.739 462 HB2 LYS 65 1HB LYS 65 8.817 -2.844 -11.022 463 HB3 LYS 65 2HB LYS 65 10.087 -4.050 -11.181 464 HG2 LYS 65 1HG LYS 65 8.745 -5.269 -12.806 465 HG3 LYS 65 2HG LYS 65 7.447 -4.085 -12.630 466 HD2 LYS 65 1HD LYS 65 10.185 -3.149 -13.360 467 HD3 LYS 65 2HD LYS 65 9.172 -3.897 -14.597 468 HE2 LYS 65 1HE LYS 65 7.424 -2.264 -14.185 469 HE3 LYS 65 2HE LYS 65 8.372 -1.547 -12.883 470 HZ1 LYS 65 1HZ LYS 65 10.035 -1.540 -15.063 471 HZ2 LYS 65 2HZ LYS 65 9.219 -0.208 -14.416 472 HZ3 LYS 65 3HZ LYS 65 8.530 -1.085 -15.687 473 H ASP 66 H ASP 66 9.829 -6.749 -10.496 474 HA ASP 66 HA ASP 66 7.716 -8.295 -11.813 475 HB2 ASP 66 1HB ASP 66 10.714 -8.449 -11.813 476 HB3 ASP 66 2HB ASP 66 9.755 -9.848 -12.289 477 H VAL 67 H VAL 67 9.222 -7.980 -8.824 478 HA VAL 67 HA VAL 67 8.829 -10.777 -8.072 479 HB VAL 67 HB VAL 67 9.751 -8.682 -6.146 480 HG11 VAL 67 1HG1 VAL 67 10.254 -11.621 -6.546 481 HG12 VAL 67 2HG1 VAL 67 11.178 -10.635 -5.410 482 HG13 VAL 67 3HG1 VAL 67 9.437 -10.828 -5.200 483 HG21 VAL 67 1HG2 VAL 67 11.604 -10.034 -8.097 484 HG22 VAL 67 2HG2 VAL 67 11.002 -8.390 -8.308 485 HG23 VAL 67 3HG2 VAL 67 12.002 -8.791 -6.912 486 H VAL 68 H VAL 68 8.128 -7.694 -6.424 487 HA VAL 68 HA VAL 68 5.516 -8.820 -5.644 488 HB VAL 68 HB VAL 68 7.250 -6.901 -4.082 489 HG11 VAL 68 1HG1 VAL 68 5.414 -6.278 -3.004 490 HG12 VAL 68 2HG1 VAL 68 4.434 -7.345 -4.011 491 HG13 VAL 68 3HG1 VAL 68 5.148 -7.952 -2.517 492 HG21 VAL 68 1HG2 VAL 68 8.226 -8.965 -3.733 493 HG22 VAL 68 2HG2 VAL 68 7.056 -8.893 -2.416 494 HG23 VAL 68 3HG2 VAL 68 6.695 -9.830 -3.866 495 H LYS 69 H LYS 69 3.824 -7.787 -6.453 496 HA LYS 69 HA LYS 69 4.015 -5.455 -8.008 497 HB2 LYS 69 1HB LYS 69 1.672 -6.895 -6.777 498 HB3 LYS 69 2HB LYS 69 1.467 -5.450 -7.758 499 HG2 LYS 69 1HG LYS 69 3.046 -7.720 -8.859 500 HG3 LYS 69 2HG LYS 69 1.285 -7.839 -8.813 501 HD2 LYS 69 1HD LYS 69 1.021 -5.944 -10.196 502 HD3 LYS 69 2HD LYS 69 2.707 -5.463 -9.988 503 HE2 LYS 69 1HE LYS 69 3.458 -7.349 -11.276 504 HE3 LYS 69 2HE LYS 69 1.822 -8.001 -11.355 505 HZ1 LYS 69 1HZ LYS 69 2.457 -5.332 -12.448 506 HZ2 LYS 69 2HZ LYS 69 1.149 -6.340 -12.814 507 HZ3 LYS 69 3HZ LYS 69 2.700 -6.732 -13.366 508 H VAL 70 H VAL 70 4.845 -3.684 -7.007 509 HA VAL 70 HA VAL 70 3.711 -2.811 -4.461 510 HB VAL 70 HB VAL 70 5.996 -1.650 -6.062 511 HG11 VAL 70 1HG1 VAL 70 4.981 0.059 -4.708 512 HG12 VAL 70 2HG1 VAL 70 4.971 -1.005 -3.300 513 HG13 VAL 70 3HG1 VAL 70 6.502 -0.429 -3.961 514 HG21 VAL 70 1HG2 VAL 70 6.995 -2.641 -3.692 515 HG22 VAL 70 2HG2 VAL 70 5.815 -3.859 -4.175 516 HG23 VAL 70 3HG2 VAL 70 7.121 -3.413 -5.273 517 H GLY 71 H GLY 71 1.763 -1.871 -4.795 518 HA2 GLY 71 1HA GLY 71 1.422 0.000 -7.011 519 HA3 GLY 71 2HA GLY 71 0.154 -0.599 -5.951 520 H ALA 72 H ALA 72 -0.595 1.574 -5.740 521 HA ALA 72 HA ALA 72 0.412 2.883 -3.435 522 HB1 ALA 72 1HB ALA 72 1.021 4.137 -6.100 523 HB2 ALA 72 2HB ALA 72 0.969 5.057 -4.596 524 HB3 ALA 72 3HB ALA 72 2.141 3.753 -4.792 525 H VAL 73 H VAL 73 -1.347 3.647 -2.479 526 HA VAL 73 HA VAL 73 -3.551 4.639 -4.169 527 HB VAL 73 HB VAL 73 -3.600 2.982 -1.674 528 HG11 VAL 73 1HG1 VAL 73 -6.213 3.650 -1.977 529 HG12 VAL 73 2HG1 VAL 73 -5.122 4.389 -0.803 530 HG13 VAL 73 3HG1 VAL 73 -5.424 5.182 -2.350 531 HG21 VAL 73 1HG2 VAL 73 -3.794 1.814 -3.769 532 HG22 VAL 73 2HG2 VAL 73 -5.359 1.788 -2.956 533 HG23 VAL 73 3HG2 VAL 73 -5.081 2.896 -4.300 534 H ASN 74 H ASN 74 -4.064 6.707 -3.912 535 HA ASN 74 HA ASN 74 -2.762 8.311 -1.930 536 HB2 ASN 74 1HB ASN 74 -3.145 9.265 -4.109 537 HB3 ASN 74 2HB ASN 74 -4.876 8.963 -3.990 538 HD21 ASN 74 1HD2 ASN 74 -4.704 11.338 -4.579 539 HD22 ASN 74 2HD2 ASN 74 -4.701 12.453 -3.259 540 H ALA 75 H ALA 75 -3.464 7.660 0.089 541 HA ALA 75 HA ALA 75 -5.929 7.013 1.008 542 HB1 ALA 75 1HB ALA 75 -5.043 8.571 3.070 543 HB2 ALA 75 2HB ALA 75 -4.562 6.899 2.777 544 HB3 ALA 75 3HB ALA 75 -3.549 8.222 2.199 545 H ASP 76 H ASP 76 -4.735 10.281 0.392 546 HA ASP 76 HA ASP 76 -6.899 11.701 1.469 547 HB2 ASP 76 1HB ASP 76 -4.771 12.764 0.854 548 HB3 ASP 76 2HB ASP 76 -5.108 12.461 -0.848 549 H LYS 77 H LYS 77 -6.303 10.608 -1.862 550 HA LYS 77 HA LYS 77 -8.870 11.520 -2.778 551 HB2 LYS 77 1HB LYS 77 -7.106 11.525 -4.379 552 HB3 LYS 77 2HB LYS 77 -6.699 9.848 -4.038 553 HG2 LYS 77 1HG LYS 77 -9.125 9.382 -4.865 554 HG3 LYS 77 2HG LYS 77 -8.958 10.964 -5.632 555 HD2 LYS 77 1HD LYS 77 -6.844 8.866 -5.967 556 HD3 LYS 77 2HD LYS 77 -8.299 8.850 -6.968 557 HE2 LYS 77 1HE LYS 77 -6.652 11.337 -6.683 558 HE3 LYS 77 2HE LYS 77 -6.195 10.080 -7.831 559 HZ1 LYS 77 1HZ LYS 77 -7.916 10.560 -9.178 560 HZ2 LYS 77 2HZ LYS 77 -7.838 12.074 -8.429 561 HZ3 LYS 77 3HZ LYS 77 -8.972 10.931 -7.910 562 H HIS 78 H HIS 78 -7.409 8.270 -2.544 563 HA HIS 78 HA HIS 78 -9.997 7.014 -2.749 564 HB2 HIS 78 1HB HIS 78 -7.310 5.770 -2.130 565 HB3 HIS 78 2HB HIS 78 -8.772 4.913 -2.610 566 HD1 HIS 78 1HD HIS 78 -9.611 6.689 -4.996 567 HD2 HIS 78 2HD HIS 78 -5.742 5.336 -4.318 568 HE1 HIS 78 1HE HIS 78 -8.479 6.736 -7.241 569 HE2 HIS 78 2HE HIS 78 -6.166 5.832 -6.821 570 H GLN 79 H GLN 79 -9.980 8.703 -0.574 571 HA GLN 79 HA GLN 79 -9.241 7.803 1.892 572 HB2 GLN 79 1HB GLN 79 -11.578 9.369 0.911 573 HB3 GLN 79 2HB GLN 79 -11.605 8.808 2.577 574 HG2 GLN 79 1HG GLN 79 -9.300 10.350 1.432 575 HG3 GLN 79 2HG GLN 79 -10.698 11.130 2.168 576 HE21 GLN 79 1HE2 GLN 79 -9.383 12.022 3.779 577 HE22 GLN 79 2HE2 GLN 79 -8.781 11.069 5.088 578 H SER 80 H SER 80 -11.743 6.529 -0.167 579 HA SER 80 HA SER 80 -13.138 5.022 1.776 580 HB2 SER 80 1HB SER 80 -12.943 4.955 -1.211 581 HB3 SER 80 2HB SER 80 -13.724 3.615 -0.372 582 HG SER 80 HG SER 80 -14.891 5.772 -1.048 583 H LEU 81 H LEU 81 -10.549 4.140 -0.496 584 HA LEU 81 HA LEU 81 -10.336 1.447 0.252 585 HB2 LEU 81 1HB LEU 81 -8.294 3.349 -0.880 586 HB3 LEU 81 2HB LEU 81 -8.020 1.619 -0.689 587 HG LEU 81 HG LEU 81 -10.122 2.882 -2.448 588 HD11 LEU 81 1HD1 LEU 81 -7.344 1.953 -2.919 589 HD12 LEU 81 2HD1 LEU 81 -8.240 3.276 -3.665 590 HD13 LEU 81 3HD1 LEU 81 -8.551 1.611 -4.158 591 HD21 LEU 81 1HD2 LEU 81 -9.745 0.189 -1.442 592 HD22 LEU 81 2HD2 LEU 81 -9.720 0.250 -3.205 593 HD23 LEU 81 3HD2 LEU 81 -11.106 0.888 -2.319 594 H GLY 82 H GLY 82 -8.358 4.236 1.280 595 HA2 GLY 82 1HA GLY 82 -6.717 2.946 3.094 596 HA3 GLY 82 2HA GLY 82 -7.217 4.624 3.236 597 H GLY 83 H GLY 83 -9.645 4.779 4.004 598 HA2 GLY 83 1HA GLY 83 -9.718 3.926 6.659 599 HA3 GLY 83 2HA GLY 83 -11.107 4.503 5.750 600 H GLN 84 H GLN 84 -11.406 2.569 3.838 601 HA GLN 84 HA GLN 84 -12.963 0.663 4.991 602 HB2 GLN 84 1HB GLN 84 -12.911 1.022 2.586 603 HB3 GLN 84 2HB GLN 84 -11.283 0.363 2.496 604 HG2 GLN 84 1HG GLN 84 -12.020 -1.816 2.948 605 HG3 GLN 84 2HG GLN 84 -13.594 -1.254 3.509 606 HE21 GLN 84 1HE2 GLN 84 -11.530 -1.280 0.633 607 HE22 GLN 84 2HE2 GLN 84 -12.818 -1.467 -0.504 608 H TYR 85 H TYR 85 -9.523 0.770 4.960 609 HA TYR 85 HA TYR 85 -9.338 -2.010 5.880 610 HB2 TYR 85 1HB TYR 85 -7.338 -0.063 4.769 611 HB3 TYR 85 2HB TYR 85 -6.805 -1.466 5.689 612 HD1 TYR 85 1HD TYR 85 -9.208 -0.727 2.915 613 HD2 TYR 85 2HD TYR 85 -6.192 -3.304 4.452 614 HE1 TYR 85 1HE TYR 85 -9.363 -2.109 0.886 615 HE2 TYR 85 2HE TYR 85 -6.338 -4.692 2.426 616 HH TYR 85 HH TYR 85 -8.392 -3.767 -0.292 617 H GLY 86 H GLY 86 -8.622 1.311 6.830 618 HA2 GLY 86 1HA GLY 86 -9.112 1.600 9.313 619 HA3 GLY 86 2HA GLY 86 -7.911 0.334 9.522 620 H VAL 87 H VAL 87 -7.475 2.667 7.003 621 HA VAL 87 HA VAL 87 -5.009 3.555 8.190 622 HB VAL 87 HB VAL 87 -6.375 4.536 5.680 623 HG11 VAL 87 1HG1 VAL 87 -4.490 5.727 5.167 624 HG12 VAL 87 2HG1 VAL 87 -4.481 5.882 6.925 625 HG13 VAL 87 3HG1 VAL 87 -3.439 4.696 6.138 626 HG21 VAL 87 1HG2 VAL 87 -4.179 3.011 4.967 627 HG22 VAL 87 2HG2 VAL 87 -4.925 2.095 6.277 628 HG23 VAL 87 3HG2 VAL 87 -5.871 2.526 4.853 629 H GLN 88 H GLN 88 -4.784 5.208 9.533 630 HA GLN 88 HA GLN 88 -6.740 7.405 9.412 631 HB2 GLN 88 1HB GLN 88 -6.595 7.604 11.863 632 HB3 GLN 88 2HB GLN 88 -7.240 6.046 11.365 633 HG2 GLN 88 1HG GLN 88 -5.784 5.412 13.005 634 HG3 GLN 88 2HG GLN 88 -4.758 5.275 11.579 635 HE21 GLN 88 1HE2 GLN 88 -3.186 5.409 13.464 636 HE22 GLN 88 2HE2 GLN 88 -2.602 6.986 13.858 637 H GLY 89 H GLY 89 -3.451 6.366 9.981 638 HA2 GLY 89 1HA GLY 89 -2.605 9.183 9.737 639 HA3 GLY 89 2HA GLY 89 -1.878 8.124 10.937 640 H PHE 90 H PHE 90 -1.521 9.397 7.901 641 HA PHE 90 HA PHE 90 -0.034 7.127 6.825 642 HB2 PHE 90 1HB PHE 90 -0.042 9.655 5.311 643 HB3 PHE 90 2HB PHE 90 -0.379 8.014 4.769 644 HD1 PHE 90 2HD PHE 90 -2.620 7.283 6.540 645 HD2 PHE 90 1HD PHE 90 -1.801 10.907 4.463 646 HE1 PHE 90 2HE PHE 90 -5.026 7.794 6.490 647 HE2 PHE 90 1HE PHE 90 -4.206 11.425 4.411 648 HZ PHE 90 HZ PHE 90 -5.822 9.867 5.424 649 HA PRO 91 HA PRO 91 1.418 7.416 4.802 650 HB2 PRO 91 1HB PRO 91 3.726 5.991 4.681 651 HB3 PRO 91 2HB PRO 91 3.571 7.625 4.026 652 HG2 PRO 91 1HG PRO 91 4.737 6.732 6.634 653 HG3 PRO 91 2HG PRO 91 5.348 7.943 5.492 654 HD2 PRO 91 1HD PRO 91 4.006 8.614 7.745 655 HD3 PRO 91 2HD PRO 91 3.909 9.573 6.255 656 H THR 92 H THR 92 0.679 5.326 4.581 657 HA THR 92 HA THR 92 1.097 3.485 6.832 658 HB THR 92 HB THR 92 -1.580 4.169 5.604 659 HG1 THR 92 1HG THR 92 -0.372 4.610 8.129 660 HG21 THR 92 1HG2 THR 92 -2.563 2.425 6.808 661 HG22 THR 92 2HG2 THR 92 -1.149 2.216 7.842 662 HG23 THR 92 3HG2 THR 92 -1.096 1.695 6.158 663 H ILE 93 H ILE 93 2.240 1.919 5.851 664 HA ILE 93 HA ILE 93 1.518 1.037 3.170 665 HB ILE 93 HB ILE 93 3.817 0.359 4.993 666 HG12 ILE 93 1HG1 ILE 93 4.060 1.350 2.185 667 HG13 ILE 93 2HG1 ILE 93 3.582 2.489 3.438 668 HG21 ILE 93 1HG2 ILE 93 4.641 -0.980 2.983 669 HG22 ILE 93 2HG2 ILE 93 3.383 -1.708 3.979 670 HG23 ILE 93 3HG2 ILE 93 2.965 -0.962 2.437 671 HD11 ILE 93 1HD1 ILE 93 5.617 1.923 4.692 672 HD12 ILE 93 2HD1 ILE 93 6.101 0.846 3.381 673 HD13 ILE 93 3HD1 ILE 93 5.962 2.580 3.092 674 H LYS 94 H LYS 94 0.833 -1.026 2.651 675 HA LYS 94 HA LYS 94 0.182 -2.827 4.878 676 HB2 LYS 94 1HB LYS 94 -1.693 -1.987 2.661 677 HB3 LYS 94 2HB LYS 94 -2.005 -3.316 3.770 678 HG2 LYS 94 1HG LYS 94 -1.440 -0.583 4.833 679 HG3 LYS 94 2HG LYS 94 -3.046 -0.990 4.226 680 HD2 LYS 94 1HD LYS 94 -3.030 -2.964 5.772 681 HD3 LYS 94 2HD LYS 94 -1.535 -2.330 6.465 682 HE2 LYS 94 1HE LYS 94 -3.846 -0.481 6.269 683 HE3 LYS 94 2HE LYS 94 -3.940 -1.768 7.469 684 HZ1 LYS 94 1HZ LYS 94 -1.549 -0.049 7.288 685 HZ2 LYS 94 2HZ LYS 94 -2.108 -0.955 8.602 686 HZ3 LYS 94 3HZ LYS 94 -2.914 0.461 8.148 687 H ILE 95 H ILE 95 0.528 -4.947 4.481 688 HA ILE 95 HA ILE 95 1.634 -5.633 1.857 689 HB ILE 95 HB ILE 95 1.811 -7.039 4.520 690 HG12 ILE 95 1HG1 ILE 95 4.118 -6.068 2.868 691 HG13 ILE 95 2HG1 ILE 95 3.220 -4.930 3.867 692 HG21 ILE 95 1HG2 ILE 95 2.109 -8.090 1.850 693 HG22 ILE 95 2HG2 ILE 95 3.613 -8.220 2.760 694 HG23 ILE 95 3HG2 ILE 95 2.132 -8.932 3.399 695 HD11 ILE 95 1HD1 ILE 95 3.728 -7.037 5.572 696 HD12 ILE 95 2HD1 ILE 95 5.204 -6.893 4.618 697 HD13 ILE 95 3HD1 ILE 95 4.591 -5.501 5.510 698 H PHE 96 H PHE 96 0.804 -7.216 0.573 699 HA PHE 96 HA PHE 96 -1.672 -8.518 1.499 700 HB2 PHE 96 1HB PHE 96 -1.027 -7.268 -1.163 701 HB3 PHE 96 2HB PHE 96 -2.298 -8.476 -0.998 702 HD1 PHE 96 1HD PHE 96 -1.175 -5.275 0.548 703 HD2 PHE 96 2HD PHE 96 -4.441 -7.764 -0.575 704 HE1 PHE 96 1HE PHE 96 -2.750 -3.516 1.240 705 HE2 PHE 96 2HE PHE 96 -6.020 -6.008 0.114 706 HZ PHE 96 HZ PHE 96 -5.176 -3.881 1.022 707 H GLY 97 H GLY 97 -1.690 -10.672 1.412 708 HA2 GLY 97 1HA GLY 97 -0.419 -12.186 -0.631 709 HA3 GLY 97 2HA GLY 97 0.544 -12.209 0.839 710 H ALA 98 H ALA 98 -0.421 -13.072 2.777 711 HA ALA 98 HA ALA 98 -1.642 -15.526 2.458 712 HB1 ALA 98 1HB ALA 98 -0.839 -13.878 4.642 713 HB2 ALA 98 2HB ALA 98 -2.426 -14.563 4.994 714 HB3 ALA 98 3HB ALA 98 -1.075 -15.625 4.599 715 H ASN 99 H ASN 99 -3.263 -12.643 3.810 716 HA ASN 99 HA ASN 99 -5.791 -13.678 2.703 717 HB2 ASN 99 1HB ASN 99 -5.594 -13.636 5.224 718 HB3 ASN 99 2HB ASN 99 -5.517 -11.880 5.116 719 HD21 ASN 99 1HD2 ASN 99 -7.426 -11.930 6.445 720 HD22 ASN 99 2HD2 ASN 99 -8.972 -12.168 5.710 721 H LYS 100 H LYS 100 -5.743 -12.572 0.769 722 HA LYS 100 HA LYS 100 -5.000 -9.932 0.346 723 HB2 LYS 100 1HB LYS 100 -6.849 -11.811 -1.072 724 HB3 LYS 100 2HB LYS 100 -6.773 -10.130 -1.581 725 HG2 LYS 100 1HG LYS 100 -4.508 -12.111 -1.522 726 HG3 LYS 100 2HG LYS 100 -5.294 -11.424 -2.946 727 HD2 LYS 100 1HD LYS 100 -4.554 -9.150 -2.009 728 HD3 LYS 100 2HD LYS 100 -3.476 -10.082 -0.967 729 HE2 LYS 100 1HE LYS 100 -3.539 -10.367 -3.964 730 HE3 LYS 100 2HE LYS 100 -2.468 -9.248 -3.122 731 HZ1 LYS 100 1HZ LYS 100 -2.229 -12.075 -3.467 732 HZ2 LYS 100 2HZ LYS 100 -2.092 -11.626 -1.842 733 HZ3 LYS 100 3HZ LYS 100 -1.060 -10.946 -2.997 734 H ASN 101 H ASN 101 -7.644 -11.121 2.087 735 HA ASN 101 HA ASN 101 -9.332 -8.800 1.666 736 HB2 ASN 101 1HB ASN 101 -9.588 -11.398 3.094 737 HB3 ASN 101 2HB ASN 101 -10.555 -10.051 3.689 738 HD21 ASN 101 1HD2 ASN 101 -9.605 -11.296 0.500 739 HD22 ASN 101 2HD2 ASN 101 -11.203 -11.309 -0.156 740 H LYS 102 H LYS 102 -6.996 -9.970 3.958 741 HA LYS 102 HA LYS 102 -7.221 -7.440 5.421 742 HB2 LYS 102 1HB LYS 102 -6.909 -10.114 6.793 743 HB3 LYS 102 2HB LYS 102 -7.046 -8.541 7.567 744 HG2 LYS 102 1HG LYS 102 -9.334 -8.353 6.547 745 HG3 LYS 102 2HG LYS 102 -9.172 -10.043 6.065 746 HD2 LYS 102 1HD LYS 102 -8.628 -9.355 8.903 747 HD3 LYS 102 2HD LYS 102 -10.307 -9.329 8.359 748 HE2 LYS 102 1HE LYS 102 -9.745 -11.655 7.352 749 HE3 LYS 102 2HE LYS 102 -8.384 -11.621 8.473 750 HZ1 LYS 102 1HZ LYS 102 -11.029 -10.984 9.538 751 HZ2 LYS 102 2HZ LYS 102 -9.737 -11.794 10.268 752 HZ3 LYS 102 3HZ LYS 102 -10.717 -12.601 9.150 753 HA PRO 103 HA PRO 103 -2.860 -7.969 4.301 754 HB2 PRO 103 1HB PRO 103 -2.274 -5.326 4.501 755 HB3 PRO 103 2HB PRO 103 -3.029 -6.037 3.069 756 HG2 PRO 103 1HG PRO 103 -4.295 -4.547 5.337 757 HG3 PRO 103 2HG PRO 103 -4.608 -4.413 3.597 758 HD2 PRO 103 1HD PRO 103 -6.215 -5.820 5.261 759 HD3 PRO 103 2HD PRO 103 -5.956 -6.282 3.567 760 H GLU 104 H GLU 104 -0.837 -7.254 5.415 761 HA GLU 104 HA GLU 104 -1.275 -7.158 8.324 762 HB2 GLU 104 1HB GLU 104 0.955 -8.203 8.527 763 HB3 GLU 104 2HB GLU 104 -0.176 -9.200 7.622 764 HG2 GLU 104 1HG GLU 104 0.833 -8.428 5.528 765 HG3 GLU 104 2HG GLU 104 1.982 -7.460 6.449 766 H ASP 105 H ASP 105 -0.371 -5.575 9.519 767 HA ASP 105 HA ASP 105 0.409 -3.168 8.373 768 HB2 ASP 105 1HB ASP 105 0.796 -4.316 11.128 769 HB3 ASP 105 2HB ASP 105 1.398 -2.714 10.712 770 H TYR 106 H TYR 106 2.181 -2.617 7.309 771 HA TYR 106 HA TYR 106 4.509 -4.300 7.312 772 HB2 TYR 106 1HB TYR 106 3.849 -3.272 5.234 773 HB3 TYR 106 2HB TYR 106 3.916 -1.666 5.953 774 HD1 TYR 106 2HD TYR 106 6.379 -4.440 6.240 775 HD2 TYR 106 1HD TYR 106 5.549 -0.564 4.696 776 HE1 TYR 106 2HE TYR 106 8.725 -4.226 5.532 777 HE2 TYR 106 1HE TYR 106 7.892 -0.339 3.983 778 HH TYR 106 HH TYR 106 10.332 -2.156 5.088 779 H GLN 107 H GLN 107 5.567 -4.241 9.238 780 HA GLN 107 HA GLN 107 6.321 -1.626 10.332 781 HB2 GLN 107 1HB GLN 107 6.532 -4.376 11.571 782 HB3 GLN 107 2HB GLN 107 6.929 -2.859 12.368 783 HG2 GLN 107 1HG GLN 107 4.203 -3.193 11.236 784 HG3 GLN 107 2HG GLN 107 4.611 -4.038 12.729 785 HE21 GLN 107 1HE2 GLN 107 3.789 -1.061 11.291 786 HE22 GLN 107 2HE2 GLN 107 3.856 -0.087 12.716 787 H GLY 108 H GLY 108 7.608 -2.454 7.975 788 HA2 GLY 108 1HA GLY 108 10.304 -3.156 8.957 789 HA3 GLY 108 2HA GLY 108 9.718 -3.514 7.339 790 H GLY 109 H GLY 109 12.118 -2.223 7.691 791 HA2 GLY 109 1HA GLY 109 12.278 0.486 7.834 792 HA3 GLY 109 2HA GLY 109 13.225 -0.460 6.695 793 H ARG 110 H ARG 110 11.478 2.191 6.799 794 HA ARG 110 HA ARG 110 9.841 1.749 4.434 795 HB2 ARG 110 1HB ARG 110 10.277 4.312 5.974 796 HB3 ARG 110 2HB ARG 110 9.012 3.989 4.796 797 HG2 ARG 110 1HG ARG 110 9.258 2.354 7.293 798 HG3 ARG 110 2HG ARG 110 8.416 3.905 7.286 799 HD2 ARG 110 1HD ARG 110 6.810 3.138 5.736 800 HD3 ARG 110 2HD ARG 110 7.770 1.716 5.331 801 HE ARG 110 HE ARG 110 6.878 0.642 7.146 802 HH11 ARG 110 2HH1 ARG 110 6.278 4.059 7.433 803 HH12 ARG 110 1HH1 ARG 110 5.235 3.893 8.805 804 HH21 ARG 110 2HH2 ARG 110 5.506 0.410 8.953 805 HH22 ARG 110 1HH2 ARG 110 4.796 1.817 9.670 806 H THR 111 H THR 111 12.385 1.291 3.737 807 HA THR 111 HA THR 111 13.087 3.669 2.150 808 HB THR 111 HB THR 111 15.498 2.851 2.307 809 HG1 THR 111 1HG THR 111 14.387 1.447 4.529 810 HG21 THR 111 1HG2 THR 111 15.529 4.698 3.565 811 HG22 THR 111 2HG2 THR 111 15.315 3.648 4.966 812 HG23 THR 111 3HG2 THR 111 13.911 4.379 4.189 813 H GLY 112 H GLY 112 13.514 3.326 0.027 814 HA2 GLY 112 1HA GLY 112 12.528 1.341 -1.458 815 HA3 GLY 112 2HA GLY 112 14.023 2.144 -1.914 816 H GLU 113 H GLU 113 15.503 1.105 0.383 817 HA GLU 113 HA GLU 113 16.259 -1.418 -0.779 818 HB2 GLU 113 1HB GLU 113 17.395 -0.551 1.826 819 HB3 GLU 113 2HB GLU 113 18.199 -1.237 0.422 820 HG2 GLU 113 1HG GLU 113 17.552 1.074 -0.657 821 HG3 GLU 113 2HG GLU 113 17.518 1.588 1.028 822 H ALA 114 H ALA 114 15.226 -0.417 2.486 823 HA ALA 114 HA ALA 114 14.995 -2.929 3.622 824 HB1 ALA 114 1HB ALA 114 13.533 -1.923 5.260 825 HB2 ALA 114 2HB ALA 114 14.836 -0.803 4.862 826 HB3 ALA 114 3HB ALA 114 13.225 -0.556 4.189 827 H ILE 115 H ILE 115 12.445 -1.040 2.001 828 HA ILE 115 HA ILE 115 10.332 -2.773 2.247 829 HB ILE 115 HB ILE 115 10.995 -1.143 -0.208 830 HG12 ILE 115 1HG1 ILE 115 9.046 -0.249 1.860 831 HG13 ILE 115 2HG1 ILE 115 10.759 -0.109 2.239 832 HG21 ILE 115 1HG2 ILE 115 8.887 -2.969 0.310 833 HG22 ILE 115 2HG2 ILE 115 8.209 -1.342 0.294 834 HG23 ILE 115 3HG2 ILE 115 9.121 -1.930 -1.096 835 HD11 ILE 115 1HD1 ILE 115 9.644 1.917 1.228 836 HD12 ILE 115 2HD1 ILE 115 11.133 1.372 0.455 837 HD13 ILE 115 3HD1 ILE 115 9.573 1.005 -0.280 838 H VAL 116 H VAL 116 12.845 -2.799 -0.264 839 HA VAL 116 HA VAL 116 11.886 -4.870 -1.837 840 HB VAL 116 HB VAL 116 14.742 -4.121 -1.207 841 HG11 VAL 116 1HG1 VAL 116 15.434 -5.919 -2.307 842 HG12 VAL 116 2HG1 VAL 116 13.763 -6.447 -2.518 843 HG13 VAL 116 3HG1 VAL 116 14.519 -5.405 -3.724 844 HG21 VAL 116 1HG2 VAL 116 14.585 -2.565 -2.815 845 HG22 VAL 116 2HG2 VAL 116 13.638 -3.613 -3.872 846 HG23 VAL 116 3HG2 VAL 116 12.844 -2.715 -2.577 847 H ASP 117 H ASP 117 13.937 -5.034 1.052 848 HA ASP 117 HA ASP 117 14.277 -7.845 1.005 849 HB2 ASP 117 1HB ASP 117 15.612 -6.047 2.309 850 HB3 ASP 117 2HB ASP 117 14.350 -6.210 3.526 851 H ALA 118 H ALA 118 11.888 -5.723 2.476 852 HA ALA 118 HA ALA 118 10.619 -7.689 4.071 853 HB1 ALA 118 1HB ALA 118 10.338 -4.932 3.620 854 HB2 ALA 118 2HB ALA 118 8.775 -5.657 3.246 855 HB3 ALA 118 3HB ALA 118 9.513 -5.920 4.825 856 H ALA 119 H ALA 119 9.798 -6.334 0.880 857 HA ALA 119 HA ALA 119 7.499 -7.810 0.387 858 HB1 ALA 119 1HB ALA 119 7.607 -7.027 -1.756 859 HB2 ALA 119 2HB ALA 119 8.713 -5.901 -0.968 860 HB3 ALA 119 3HB ALA 119 9.349 -7.272 -1.877 861 H LEU 120 H LEU 120 10.885 -8.661 -0.177 862 HA LEU 120 HA LEU 120 10.404 -11.079 -1.548 863 HB2 LEU 120 1HB LEU 120 12.761 -10.214 0.119 864 HB3 LEU 120 2HB LEU 120 12.736 -11.638 -0.919 865 HG LEU 120 HG LEU 120 12.186 -8.947 -2.096 866 HD11 LEU 120 1HD1 LEU 120 14.659 -9.751 -0.818 867 HD12 LEU 120 2HD1 LEU 120 14.179 -8.185 -1.471 868 HD13 LEU 120 3HD1 LEU 120 14.876 -9.407 -2.534 869 HD21 LEU 120 1HD2 LEU 120 12.197 -11.456 -3.130 870 HD22 LEU 120 2HD2 LEU 120 13.853 -10.944 -3.457 871 HD23 LEU 120 3HD2 LEU 120 12.498 -9.989 -4.061 872 H SER 121 H SER 121 11.360 -10.539 1.848 873 HA SER 121 HA SER 121 11.299 -13.083 2.808 874 HB2 SER 121 1HB SER 121 11.660 -10.770 4.015 875 HB3 SER 121 2HB SER 121 9.961 -10.962 4.446 876 HG SER 121 HG SER 121 10.507 -12.437 5.836 877 H ALA 122 H ALA 122 8.497 -10.946 2.393 878 HA ALA 122 HA ALA 122 6.599 -12.822 3.378 879 HB1 ALA 122 1HB ALA 122 5.756 -10.705 3.504 880 HB2 ALA 122 2HB ALA 122 6.470 -10.208 1.969 881 HB3 ALA 122 3HB ALA 122 5.027 -11.223 1.983 882 H LEU 123 H LEU 123 7.602 -11.859 0.109 883 HA LEU 123 HA LEU 123 5.884 -13.168 -1.501 884 HB2 LEU 123 1HB LEU 123 8.022 -11.906 -2.097 885 HB3 LEU 123 2HB LEU 123 8.845 -13.454 -1.915 886 HG LEU 123 HG LEU 123 8.405 -12.995 -4.252 887 HD11 LEU 123 1HD1 LEU 123 8.252 -15.327 -3.325 888 HD12 LEU 123 2HD1 LEU 123 7.409 -15.060 -4.850 889 HD13 LEU 123 3HD1 LEU 123 6.499 -15.137 -3.342 890 HD21 LEU 123 1HD2 LEU 123 5.558 -13.309 -4.304 891 HD22 LEU 123 2HD2 LEU 123 6.549 -12.006 -4.959 892 HD23 LEU 123 3HD2 LEU 123 5.989 -11.934 -3.288 893 H ARG 124 H ARG 124 8.758 -14.714 -0.062 894 HA ARG 124 HA ARG 124 7.997 -17.326 -0.929 895 HB2 ARG 124 1HB ARG 124 9.881 -18.109 0.390 896 HB3 ARG 124 2HB ARG 124 10.346 -16.688 -0.536 897 HG2 ARG 124 1HG ARG 124 9.848 -15.353 1.575 898 HG3 ARG 124 2HG ARG 124 9.825 -16.909 2.407 899 HD2 ARG 124 1HD ARG 124 12.135 -16.300 0.640 900 HD3 ARG 124 2HD ARG 124 12.036 -15.464 2.190 901 HE ARG 124 HE ARG 124 12.467 -17.454 3.268 902 HH11 ARG 124 2HH1 ARG 124 11.850 -18.038 -0.108 903 HH12 ARG 124 1HH1 ARG 124 12.380 -19.687 -0.053 904 HH21 ARG 124 2HH2 ARG 124 13.167 -19.623 3.353 905 HH22 ARG 124 1HH2 ARG 124 13.128 -20.588 1.916 906 H SER 125 H SER 125 7.748 -15.537 2.107 907 HA SER 125 HA SER 125 6.475 -17.792 3.430 908 HB2 SER 125 1HB SER 125 6.649 -16.546 5.438 909 HB3 SER 125 2HB SER 125 8.132 -16.193 4.552 910 HG SER 125 HG SER 125 7.561 -14.179 4.475 911 H GLY 126 H GLY 126 5.001 -16.999 1.257 912 HA2 GLY 126 1HA GLY 126 2.583 -15.985 2.579 913 HA3 GLY 126 2HA GLY 126 3.122 -15.204 1.100 914 HA PRO 127 HA PRO 127 0.480 -18.067 -0.980 915 HB2 PRO 127 1HB PRO 127 1.307 -17.529 -3.509 916 HB3 PRO 127 2HB PRO 127 0.257 -16.444 -2.590 917 HG2 PRO 127 1HG PRO 127 3.214 -16.293 -3.033 918 HG3 PRO 127 2HG PRO 127 2.008 -14.995 -3.082 919 HD2 PRO 127 1HD PRO 127 3.607 -15.418 -0.938 920 HD3 PRO 127 2HD PRO 127 1.954 -14.787 -0.788 921 H SER 128 H SER 128 1.612 -19.922 -0.055 922 HA SER 128 HA SER 128 3.936 -21.093 -0.741 923 HB2 SER 128 1HB SER 128 1.304 -22.579 -0.545 924 HB3 SER 128 2HB SER 128 2.909 -23.273 -0.318 925 HG SER 128 HG SER 128 3.013 -21.447 1.364 926 H SER 129 H SER 129 4.909 -21.599 -2.576 927 HA SER 129 HA SER 129 3.721 -21.399 -5.100 928 HB2 SER 129 1HB SER 129 5.792 -22.404 -5.963 929 HB3 SER 129 2HB SER 129 6.145 -21.189 -4.735 930 HG SER 129 HG SER 129 6.794 -22.717 -3.378 931 H GLY 130 H GLY 130 1.990 -22.637 -5.576 932 HA2 GLY 130 1HA GLY 130 2.446 -25.487 -5.911 933 HA3 GLY 130 2HA GLY 130 1.184 -25.058 -4.765 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -18.179 -3.045 -16.362 2 HA2 GLY 1 1HA GLY 1 -19.492 -0.687 -15.160 3 HA3 GLY 1 2HA GLY 1 -17.745 -0.878 -15.151 4 H SER 2 H SER 2 -18.174 1.350 -16.184 5 HA SER 2 HA SER 2 -18.208 0.971 -19.103 6 HB2 SER 2 1HB SER 2 -20.306 2.031 -18.473 7 HB3 SER 2 2HB SER 2 -19.441 3.258 -17.548 8 HG SER 2 HG SER 2 -19.278 4.338 -19.329 9 H SER 3 H SER 3 -16.682 2.065 -20.262 10 HA SER 3 HA SER 3 -14.376 2.973 -18.853 11 HB2 SER 3 1HB SER 3 -13.393 3.312 -21.043 12 HB3 SER 3 2HB SER 3 -14.289 1.794 -21.051 13 HG SER 3 HG SER 3 -14.625 3.253 -22.895 14 H GLY 4 H GLY 4 -13.368 5.067 -19.067 15 HA2 GLY 4 1HA GLY 4 -14.945 7.295 -20.009 16 HA3 GLY 4 2HA GLY 4 -14.817 7.208 -18.259 17 H SER 5 H SER 5 -13.651 8.882 -20.669 18 HA SER 5 HA SER 5 -10.823 8.661 -20.329 19 HB2 SER 5 1HB SER 5 -10.653 10.506 -21.819 20 HB3 SER 5 2HB SER 5 -12.042 9.573 -22.375 21 HG SER 5 HG SER 5 -12.713 11.663 -22.315 22 H SER 6 H SER 6 -9.512 10.631 -19.685 23 HA SER 6 HA SER 6 -10.670 12.389 -17.723 24 HB2 SER 6 1HB SER 6 -8.653 10.318 -16.821 25 HB3 SER 6 2HB SER 6 -9.298 11.631 -15.836 26 HG SER 6 HG SER 6 -11.263 10.660 -15.814 27 H GLY 7 H GLY 7 -9.781 14.242 -18.354 28 HA2 GLY 7 1HA GLY 7 -7.539 14.654 -19.868 29 HA3 GLY 7 2HA GLY 7 -8.153 15.830 -18.716 30 H ALA 8 H ALA 8 -7.559 15.193 -16.342 31 HA ALA 8 HA ALA 8 -4.988 13.899 -16.072 32 HB1 ALA 8 1HB ALA 8 -5.094 16.754 -15.181 33 HB2 ALA 8 2HB ALA 8 -3.691 15.725 -15.472 34 HB3 ALA 8 3HB ALA 8 -4.628 16.342 -16.832 35 H VAL 9 H VAL 9 -4.302 13.730 -13.821 36 HA VAL 9 HA VAL 9 -6.340 14.357 -11.823 37 HB VAL 9 HB VAL 9 -6.324 12.098 -10.898 38 HG11 VAL 9 1HG1 VAL 9 -8.097 12.598 -12.429 39 HG12 VAL 9 2HG1 VAL 9 -7.061 12.257 -13.817 40 HG13 VAL 9 3HG1 VAL 9 -7.552 10.949 -12.738 41 HG21 VAL 9 1HG2 VAL 9 -5.342 10.243 -12.237 42 HG22 VAL 9 2HG2 VAL 9 -4.567 11.451 -13.262 43 HG23 VAL 9 3HG2 VAL 9 -4.143 11.340 -11.554 44 H SER 10 H SER 10 -5.553 14.607 -9.751 45 HA SER 10 HA SER 10 -2.774 15.202 -9.522 46 HB2 SER 10 1HB SER 10 -5.097 15.231 -7.615 47 HB3 SER 10 2HB SER 10 -3.453 15.467 -7.024 48 HG SER 10 HG SER 10 -3.395 17.382 -7.923 49 H GLY 11 H GLY 11 -1.139 13.999 -8.763 50 HA2 GLY 11 1HA GLY 11 -1.418 11.885 -6.901 51 HA3 GLY 11 2HA GLY 11 -1.322 11.229 -8.528 52 H LEU 12 H LEU 12 0.471 11.786 -5.901 53 HA LEU 12 HA LEU 12 2.778 13.090 -6.733 54 HB2 LEU 12 1HB LEU 12 2.595 10.725 -4.872 55 HB3 LEU 12 2HB LEU 12 3.931 11.870 -4.970 56 HG LEU 12 HG LEU 12 1.125 12.534 -4.077 57 HD11 LEU 12 1HD1 LEU 12 1.971 12.611 -1.858 58 HD12 LEU 12 2HD1 LEU 12 3.626 12.359 -2.411 59 HD13 LEU 12 3HD1 LEU 12 2.446 11.055 -2.541 60 HD21 LEU 12 1HD2 LEU 12 3.005 14.452 -3.242 61 HD22 LEU 12 2HD2 LEU 12 1.700 14.650 -4.412 62 HD23 LEU 12 3HD2 LEU 12 3.307 14.166 -4.956 63 H TYR 13 H TYR 13 1.965 9.637 -6.951 64 HA TYR 13 HA TYR 13 4.394 9.047 -8.399 65 HB2 TYR 13 1HB TYR 13 1.987 7.325 -7.775 66 HB3 TYR 13 2HB TYR 13 3.475 6.747 -8.516 67 HD1 TYR 13 2HD TYR 13 2.225 8.465 -5.452 68 HD2 TYR 13 1HD TYR 13 5.190 5.942 -7.169 69 HE1 TYR 13 2HE TYR 13 3.176 8.073 -3.218 70 HE2 TYR 13 1HE TYR 13 6.149 5.542 -4.939 71 HH TYR 13 HH TYR 13 5.013 7.284 -2.111 72 H SER 14 H SER 14 4.115 7.651 -10.451 73 HA SER 14 HA SER 14 1.931 8.580 -12.151 74 HB2 SER 14 1HB SER 14 3.304 9.515 -13.827 75 HB3 SER 14 2HB SER 14 3.963 10.150 -12.319 76 HG SER 14 HG SER 14 5.686 9.410 -13.468 77 H SER 15 H SER 15 1.163 6.960 -13.332 78 HA SER 15 HA SER 15 1.797 4.357 -13.179 79 HB2 SER 15 1HB SER 15 0.763 4.021 -15.391 80 HB3 SER 15 2HB SER 15 -0.148 5.184 -14.427 81 HG SER 15 HG SER 15 0.495 6.786 -15.712 82 H SER 16 H SER 16 3.423 6.719 -15.209 83 HA SER 16 HA SER 16 4.907 5.167 -16.897 84 HB2 SER 16 1HB SER 16 4.891 7.744 -16.566 85 HB3 SER 16 2HB SER 16 6.219 7.449 -15.443 86 HG SER 16 HG SER 16 6.613 7.832 -17.858 87 H ASP 17 H ASP 17 5.696 5.968 -13.529 88 HA ASP 17 HA ASP 17 8.143 4.576 -13.435 89 HB2 ASP 17 1HB ASP 17 6.311 4.991 -11.075 90 HB3 ASP 17 2HB ASP 17 8.069 4.883 -11.080 91 H ASP 18 H ASP 18 8.249 2.788 -11.517 92 HA ASP 18 HA ASP 18 6.996 0.481 -12.667 93 HB2 ASP 18 1HB ASP 18 8.620 0.708 -10.124 94 HB3 ASP 18 2HB ASP 18 8.226 -0.782 -10.977 95 H VAL 19 H VAL 19 6.272 2.645 -10.087 96 HA VAL 19 HA VAL 19 4.660 0.935 -8.507 97 HB VAL 19 HB VAL 19 4.526 3.939 -8.797 98 HG11 VAL 19 1HG1 VAL 19 3.700 2.678 -6.278 99 HG12 VAL 19 2HG1 VAL 19 2.977 4.019 -7.169 100 HG13 VAL 19 3HG1 VAL 19 2.641 2.355 -7.650 101 HG21 VAL 19 1HG2 VAL 19 6.723 3.175 -8.080 102 HG22 VAL 19 2HG2 VAL 19 5.882 3.976 -6.753 103 HG23 VAL 19 3HG2 VAL 19 5.986 2.216 -6.796 104 H ILE 20 H ILE 20 2.656 0.208 -8.804 105 HA ILE 20 HA ILE 20 1.209 1.002 -11.193 106 HB ILE 20 HB ILE 20 0.632 -1.125 -9.129 107 HG12 ILE 20 1HG1 ILE 20 1.463 -1.404 -12.022 108 HG13 ILE 20 2HG1 ILE 20 2.593 -1.457 -10.673 109 HG21 ILE 20 1HG2 ILE 20 -1.420 -0.166 -10.164 110 HG22 ILE 20 2HG2 ILE 20 -0.798 -0.657 -11.739 111 HG23 ILE 20 3HG2 ILE 20 -1.169 -1.875 -10.520 112 HD11 ILE 20 1HD1 ILE 20 1.929 -3.682 -11.526 113 HD12 ILE 20 2HD1 ILE 20 1.564 -3.440 -9.817 114 HD13 ILE 20 3HD1 ILE 20 0.275 -3.341 -11.016 115 H GLU 21 H GLU 21 -0.295 2.526 -11.199 116 HA GLU 21 HA GLU 21 -1.167 3.837 -8.849 117 HB2 GLU 21 1HB GLU 21 -1.027 4.753 -11.247 118 HB3 GLU 21 2HB GLU 21 -2.585 3.980 -11.499 119 HG2 GLU 21 1HG GLU 21 -3.669 5.388 -10.003 120 HG3 GLU 21 2HG GLU 21 -2.164 5.873 -9.223 121 H LEU 22 H LEU 22 -2.175 2.452 -7.437 122 HA LEU 22 HA LEU 22 -4.347 0.761 -8.302 123 HB2 LEU 22 1HB LEU 22 -3.106 1.357 -5.633 124 HB3 LEU 22 2HB LEU 22 -4.553 0.364 -5.791 125 HG LEU 22 HG LEU 22 -1.855 -0.254 -6.993 126 HD11 LEU 22 1HD1 LEU 22 -1.423 -1.634 -5.245 127 HD12 LEU 22 2HD1 LEU 22 -3.128 -1.960 -4.933 128 HD13 LEU 22 3HD1 LEU 22 -2.409 -0.441 -4.399 129 HD21 LEU 22 1HD2 LEU 22 -3.649 -1.109 -8.373 130 HD22 LEU 22 2HD2 LEU 22 -4.432 -1.821 -6.962 131 HD23 LEU 22 3HD2 LEU 22 -2.872 -2.437 -7.510 132 H THR 23 H THR 23 -6.477 1.159 -8.161 133 HA THR 23 HA THR 23 -7.363 3.548 -6.692 134 HB THR 23 HB THR 23 -8.472 4.480 -8.447 135 HG1 THR 23 1HG THR 23 -9.920 3.041 -9.121 136 HG21 THR 23 1HG2 THR 23 -6.885 4.782 -9.998 137 HG22 THR 23 2HG2 THR 23 -6.938 3.091 -10.496 138 HG23 THR 23 3HG2 THR 23 -5.949 3.575 -9.118 139 HA PRO 24 HA PRO 24 -10.653 1.117 -5.103 140 HB2 PRO 24 1HB PRO 24 -12.749 2.843 -5.133 141 HB3 PRO 24 2HB PRO 24 -11.396 2.994 -4.005 142 HG2 PRO 24 1HG PRO 24 -11.896 4.456 -6.569 143 HG3 PRO 24 2HG PRO 24 -11.315 5.086 -5.017 144 HD2 PRO 24 1HD PRO 24 -9.653 4.560 -7.089 145 HD3 PRO 24 2HD PRO 24 -9.154 4.379 -5.395 146 H SER 25 H SER 25 -10.318 1.431 -8.207 147 HA SER 25 HA SER 25 -12.984 0.366 -8.878 148 HB2 SER 25 1HB SER 25 -11.161 2.199 -10.396 149 HB3 SER 25 2HB SER 25 -12.256 1.137 -11.279 150 HG SER 25 HG SER 25 -13.655 2.663 -10.918 151 H ASN 26 H ASN 26 -9.566 -0.083 -8.966 152 HA ASN 26 HA ASN 26 -9.964 -2.667 -10.322 153 HB2 ASN 26 1HB ASN 26 -7.408 -2.220 -10.942 154 HB3 ASN 26 2HB ASN 26 -8.728 -1.651 -11.960 155 HD21 ASN 26 1HD2 ASN 26 -6.023 -0.786 -10.138 156 HD22 ASN 26 2HD2 ASN 26 -6.196 0.930 -10.239 157 H PHE 27 H PHE 27 -8.875 -0.995 -7.598 158 HA PHE 27 HA PHE 27 -6.737 -2.250 -6.558 159 HB2 PHE 27 1HB PHE 27 -8.148 -0.554 -5.381 160 HB3 PHE 27 2HB PHE 27 -9.294 -1.835 -4.997 161 HD1 PHE 27 1HD PHE 27 -8.256 -3.917 -3.778 162 HD2 PHE 27 2HD PHE 27 -6.515 -0.033 -3.852 163 HE1 PHE 27 1HE PHE 27 -6.974 -4.456 -1.748 164 HE2 PHE 27 2HE PHE 27 -5.231 -0.567 -1.823 165 HZ PHE 27 HZ PHE 27 -5.458 -2.781 -0.769 166 H ASN 28 H ASN 28 -9.812 -3.709 -7.215 167 HA ASN 28 HA ASN 28 -9.181 -6.119 -5.717 168 HB2 ASN 28 1HB ASN 28 -11.504 -5.215 -5.791 169 HB3 ASN 28 2HB ASN 28 -11.546 -5.558 -7.518 170 HD21 ASN 28 1HD2 ASN 28 -11.342 -7.775 -8.189 171 HD22 ASN 28 2HD2 ASN 28 -11.896 -9.038 -7.147 172 H ARG 29 H ARG 29 -9.545 -5.083 -9.080 173 HA ARG 29 HA ARG 29 -8.924 -7.691 -10.127 174 HB2 ARG 29 1HB ARG 29 -9.471 -4.996 -11.302 175 HB3 ARG 29 2HB ARG 29 -8.698 -6.220 -12.299 176 HG2 ARG 29 1HG ARG 29 -11.240 -6.794 -10.824 177 HG3 ARG 29 2HG ARG 29 -11.244 -6.002 -12.401 178 HD2 ARG 29 1HD ARG 29 -9.681 -8.011 -13.051 179 HD3 ARG 29 2HD ARG 29 -10.454 -8.781 -11.666 180 HE ARG 29 HE ARG 29 -12.549 -7.840 -13.087 181 HH11 ARG 29 2HH1 ARG 29 -9.785 -9.787 -13.920 182 HH12 ARG 29 1HH1 ARG 29 -10.611 -10.655 -15.171 183 HH21 ARG 29 2HH2 ARG 29 -13.646 -8.977 -14.732 184 HH22 ARG 29 1HH2 ARG 29 -12.806 -10.193 -15.633 185 H GLU 30 H GLU 30 -7.091 -5.313 -8.734 186 HA GLU 30 HA GLU 30 -4.723 -5.931 -10.366 187 HB2 GLU 30 1HB GLU 30 -5.544 -3.573 -8.745 188 HB3 GLU 30 2HB GLU 30 -3.828 -3.947 -8.827 189 HG2 GLU 30 1HG GLU 30 -5.508 -3.698 -11.296 190 HG3 GLU 30 2HG GLU 30 -4.769 -2.297 -10.522 191 H VAL 31 H VAL 31 -5.801 -5.603 -6.996 192 HA VAL 31 HA VAL 31 -3.462 -7.151 -6.131 193 HB VAL 31 HB VAL 31 -5.442 -5.604 -4.454 194 HG11 VAL 31 1HG1 VAL 31 -3.636 -5.877 -2.709 195 HG12 VAL 31 2HG1 VAL 31 -4.535 -7.338 -3.121 196 HG13 VAL 31 3HG1 VAL 31 -2.915 -7.086 -3.770 197 HG21 VAL 31 1HG2 VAL 31 -3.984 -3.821 -4.407 198 HG22 VAL 31 2HG2 VAL 31 -2.590 -4.810 -4.845 199 HG23 VAL 31 3HG2 VAL 31 -3.788 -4.382 -6.067 200 H ILE 32 H ILE 32 -6.885 -6.919 -5.147 201 HA ILE 32 HA ILE 32 -7.119 -9.333 -3.867 202 HB ILE 32 HB ILE 32 -9.252 -8.083 -5.602 203 HG12 ILE 32 1HG1 ILE 32 -8.310 -6.485 -3.979 204 HG13 ILE 32 2HG1 ILE 32 -9.968 -6.914 -3.576 205 HG21 ILE 32 1HG2 ILE 32 -10.289 -9.306 -3.270 206 HG22 ILE 32 2HG2 ILE 32 -10.550 -9.759 -4.954 207 HG23 ILE 32 3HG2 ILE 32 -9.211 -10.464 -4.048 208 HD11 ILE 32 1HD1 ILE 32 -9.158 -8.450 -1.868 209 HD12 ILE 32 2HD1 ILE 32 -7.494 -8.030 -2.278 210 HD13 ILE 32 3HD1 ILE 32 -8.569 -6.810 -1.596 211 H GLN 33 H GLN 33 -7.149 -8.698 -7.316 212 HA GLN 33 HA GLN 33 -7.715 -11.508 -7.890 213 HB2 GLN 33 1HB GLN 33 -7.563 -9.048 -9.624 214 HB3 GLN 33 2HB GLN 33 -7.679 -10.669 -10.297 215 HG2 GLN 33 1HG GLN 33 -9.711 -9.043 -8.894 216 HG3 GLN 33 2HG GLN 33 -9.876 -10.123 -10.278 217 HE21 GLN 33 1HE2 GLN 33 -10.188 -9.776 -6.914 218 HE22 GLN 33 2HE2 GLN 33 -10.651 -11.400 -6.549 219 H SER 34 H SER 34 -5.193 -10.653 -6.675 220 HA SER 34 HA SER 34 -3.379 -11.699 -8.740 221 HB2 SER 34 1HB SER 34 -2.953 -9.306 -8.568 222 HB3 SER 34 2HB SER 34 -2.786 -9.436 -6.818 223 HG SER 34 HG SER 34 -1.048 -11.041 -7.434 224 H ASP 35 H ASP 35 -3.120 -13.725 -7.975 225 HA ASP 35 HA ASP 35 -3.102 -14.535 -5.313 226 HB2 ASP 35 1HB ASP 35 -2.475 -16.628 -6.085 227 HB3 ASP 35 2HB ASP 35 -3.161 -15.914 -7.541 228 H GLY 36 H GLY 36 -0.593 -13.103 -7.249 229 HA2 GLY 36 1HA GLY 36 1.615 -13.870 -5.629 230 HA3 GLY 36 2HA GLY 36 1.593 -12.551 -6.790 231 H LEU 37 H LEU 37 3.036 -11.787 -4.896 232 HA LEU 37 HA LEU 37 1.593 -10.776 -2.606 233 HB2 LEU 37 1HB LEU 37 4.094 -11.590 -2.840 234 HB3 LEU 37 2HB LEU 37 4.360 -9.900 -3.263 235 HG LEU 37 HG LEU 37 3.273 -9.299 -1.068 236 HD11 LEU 37 1HD1 LEU 37 2.134 -11.469 -0.743 237 HD12 LEU 37 2HD1 LEU 37 3.115 -10.987 0.640 238 HD13 LEU 37 3HD1 LEU 37 3.706 -12.222 -0.472 239 HD21 LEU 37 1HD2 LEU 37 5.489 -8.975 -0.830 240 HD22 LEU 37 2HD2 LEU 37 5.901 -10.554 -1.499 241 HD23 LEU 37 3HD2 LEU 37 5.390 -10.415 0.184 242 H TRP 38 H TRP 38 1.015 -8.689 -2.201 243 HA TRP 38 HA TRP 38 1.604 -6.687 -4.273 244 HB2 TRP 38 1HB TRP 38 -1.014 -7.701 -3.399 245 HB3 TRP 38 2HB TRP 38 -0.889 -5.944 -3.418 246 HD1 TRP 38 HD TRP 38 -1.039 -8.958 -5.724 247 HE1 TRP 38 1HE TRP 38 -1.293 -8.145 -8.152 248 HE3 TRP 38 3HE TRP 38 -0.270 -3.957 -4.990 249 HZ2 TRP 38 2HZ TRP 38 -1.182 -5.707 -9.570 250 HZ3 TRP 38 3HZ TRP 38 -0.361 -2.453 -6.935 251 HH2 TRP 38 HH TRP 38 -0.806 -3.312 -9.177 252 H LEU 39 H LEU 39 2.335 -4.811 -3.497 253 HA LEU 39 HA LEU 39 2.051 -4.313 -0.608 254 HB2 LEU 39 1HB LEU 39 4.283 -3.965 -2.514 255 HB3 LEU 39 2HB LEU 39 4.088 -2.707 -1.295 256 HG LEU 39 HG LEU 39 4.299 -5.620 -0.577 257 HD11 LEU 39 1HD1 LEU 39 6.700 -4.157 -0.051 258 HD12 LEU 39 2HD1 LEU 39 6.317 -4.071 -1.770 259 HD13 LEU 39 3HD1 LEU 39 6.477 -5.639 -0.980 260 HD21 LEU 39 1HD2 LEU 39 3.734 -4.742 1.399 261 HD22 LEU 39 2HD2 LEU 39 4.036 -3.091 0.855 262 HD23 LEU 39 3HD2 LEU 39 5.373 -4.090 1.428 263 H VAL 40 H VAL 40 0.310 -3.004 -0.451 264 HA VAL 40 HA VAL 40 0.139 -0.674 -2.229 265 HB VAL 40 HB VAL 40 -1.962 -1.696 -0.316 266 HG11 VAL 40 1HG1 VAL 40 -3.292 -0.342 -2.223 267 HG12 VAL 40 2HG1 VAL 40 -2.722 0.392 -0.723 268 HG13 VAL 40 3HG1 VAL 40 -1.778 0.562 -2.204 269 HG21 VAL 40 1HG2 VAL 40 -2.380 -3.335 -1.755 270 HG22 VAL 40 2HG2 VAL 40 -2.744 -2.125 -2.986 271 HG23 VAL 40 3HG2 VAL 40 -1.106 -2.761 -2.832 272 H GLU 41 H GLU 41 0.722 1.259 -1.507 273 HA GLU 41 HA GLU 41 0.897 1.673 1.404 274 HB2 GLU 41 1HB GLU 41 3.081 1.879 0.598 275 HB3 GLU 41 2HB GLU 41 2.563 2.683 -0.877 276 HG2 GLU 41 1HG GLU 41 2.098 4.040 1.727 277 HG3 GLU 41 2HG GLU 41 3.730 4.006 1.062 278 H PHE 42 H PHE 42 -0.168 3.335 2.322 279 HA PHE 42 HA PHE 42 -1.844 4.976 0.559 280 HB2 PHE 42 1HB PHE 42 -2.080 4.404 3.520 281 HB3 PHE 42 2HB PHE 42 -3.181 5.424 2.601 282 HD1 PHE 42 1HD PHE 42 -1.970 1.974 3.056 283 HD2 PHE 42 2HD PHE 42 -4.901 4.491 1.270 284 HE1 PHE 42 1HE PHE 42 -3.318 -0.005 2.488 285 HE2 PHE 42 2HE PHE 42 -6.253 2.517 0.699 286 HZ PHE 42 HZ PHE 42 -5.463 0.265 1.309 287 H TYR 43 H TYR 43 -0.737 6.765 0.009 288 HA TYR 43 HA TYR 43 0.596 8.280 2.153 289 HB2 TYR 43 1HB TYR 43 2.037 9.230 0.512 290 HB3 TYR 43 2HB TYR 43 1.983 7.502 0.185 291 HD1 TYR 43 1HD TYR 43 0.542 10.756 -0.892 292 HD2 TYR 43 2HD TYR 43 1.366 6.713 -1.933 293 HE1 TYR 43 1HE TYR 43 -0.124 11.224 -3.213 294 HE2 TYR 43 2HE TYR 43 0.703 7.171 -4.257 295 HH TYR 43 HH TYR 43 -0.100 8.669 -5.682 296 H ALA 44 H ALA 44 0.700 10.738 1.468 297 HA ALA 44 HA ALA 44 -1.934 11.596 0.490 298 HB1 ALA 44 1HB ALA 44 -1.742 13.404 2.356 299 HB2 ALA 44 2HB ALA 44 -2.355 11.797 2.748 300 HB3 ALA 44 3HB ALA 44 -0.687 12.221 3.130 301 HA PRO 45 HA PRO 45 0.762 14.203 -1.914 302 HB2 PRO 45 1HB PRO 45 -1.217 15.473 -3.271 303 HB3 PRO 45 2HB PRO 45 -0.688 13.831 -3.656 304 HG2 PRO 45 1HG PRO 45 -3.051 14.734 -2.054 305 HG3 PRO 45 2HG PRO 45 -2.950 13.450 -3.273 306 HD2 PRO 45 1HD PRO 45 -2.914 12.940 -0.614 307 HD3 PRO 45 2HD PRO 45 -2.037 11.940 -1.790 308 H TRP 46 H TRP 46 -0.974 14.993 0.722 309 HA TRP 46 HA TRP 46 -0.459 17.879 0.411 310 HB2 TRP 46 1HB TRP 46 -2.231 18.210 2.145 311 HB3 TRP 46 2HB TRP 46 -2.829 17.514 0.641 312 HD1 TRP 46 HD TRP 46 -4.269 15.405 0.884 313 HE1 TRP 46 1HE TRP 46 -4.751 13.718 2.767 314 HE3 TRP 46 3HE TRP 46 -0.907 17.078 4.353 315 HZ2 TRP 46 2HZ TRP 46 -3.829 13.169 5.378 316 HZ3 TRP 46 3HZ TRP 46 -0.770 15.917 6.519 317 HH2 TRP 46 HH TRP 46 -2.203 14.004 7.018 318 H CYS 47 H CYS 47 0.173 15.025 2.208 319 HA CYS 47 HA CYS 47 1.158 16.396 4.554 320 HB2 CYS 47 1HB CYS 47 0.164 13.914 4.204 321 HB3 CYS 47 2HB CYS 47 1.883 13.561 4.084 322 HG CYS 47 HG CYS 47 2.552 14.386 6.595 323 H GLY 48 H GLY 48 3.446 15.441 5.305 324 HA2 GLY 48 1HA GLY 48 5.300 16.236 3.163 325 HA3 GLY 48 2HA GLY 48 5.631 16.334 4.886 326 H HIS 49 H HIS 49 5.641 14.156 6.031 327 HA HIS 49 HA HIS 49 7.699 12.590 5.184 328 HB2 HIS 49 1HB HIS 49 6.577 10.736 6.587 329 HB3 HIS 49 2HB HIS 49 6.998 12.244 7.393 330 HD1 HIS 49 1HD HIS 49 5.227 12.491 9.120 331 HD2 HIS 49 2HD HIS 49 3.661 11.496 5.403 332 HE1 HIS 49 1HE HIS 49 2.730 12.608 9.390 333 HE2 HIS 49 2HE HIS 49 1.802 11.919 7.151 334 H CYS 50 H CYS 50 4.492 12.617 3.952 335 HA CYS 50 HA CYS 50 4.630 10.003 2.743 336 HB2 CYS 50 1HB CYS 50 2.646 12.215 2.855 337 HB3 CYS 50 2HB CYS 50 2.556 11.129 1.474 338 HG CYS 50 HG CYS 50 2.451 10.077 4.728 339 H GLN 51 H GLN 51 4.736 13.364 1.588 340 HA GLN 51 HA GLN 51 5.105 12.754 -1.132 341 HB2 GLN 51 1HB GLN 51 5.974 15.200 0.418 342 HB3 GLN 51 2HB GLN 51 5.912 15.083 -1.335 343 HG2 GLN 51 1HG GLN 51 3.566 14.959 -1.351 344 HG3 GLN 51 2HG GLN 51 3.493 14.641 0.381 345 HE21 GLN 51 1HE2 GLN 51 1.903 16.452 0.123 346 HE22 GLN 51 2HE2 GLN 51 2.508 18.060 0.297 347 H ARG 52 H ARG 52 7.292 12.807 1.557 348 HA ARG 52 HA ARG 52 9.662 12.821 -0.110 349 HB2 ARG 52 1HB ARG 52 10.881 12.591 2.021 350 HB3 ARG 52 2HB ARG 52 9.758 13.944 2.041 351 HG2 ARG 52 1HG ARG 52 9.321 13.043 4.083 352 HG3 ARG 52 2HG ARG 52 8.150 12.151 3.110 353 HD2 ARG 52 1HD ARG 52 9.110 10.412 4.230 354 HD3 ARG 52 2HD ARG 52 10.185 10.488 2.835 355 HE ARG 52 HE ARG 52 11.121 12.131 4.958 356 HH11 ARG 52 2HH1 ARG 52 10.916 8.827 3.883 357 HH12 ARG 52 1HH1 ARG 52 12.319 8.316 4.762 358 HH21 ARG 52 2HH2 ARG 52 12.970 11.472 6.120 359 HH22 ARG 52 1HH2 ARG 52 13.486 9.822 6.035 360 H LEU 53 H LEU 53 7.403 10.556 0.603 361 HA LEU 53 HA LEU 53 9.309 8.332 0.768 362 HB2 LEU 53 1HB LEU 53 7.426 8.457 2.390 363 HB3 LEU 53 2HB LEU 53 6.308 8.276 1.039 364 HG LEU 53 HG LEU 53 7.277 6.048 0.582 365 HD11 LEU 53 1HD1 LEU 53 9.203 5.423 1.476 366 HD12 LEU 53 2HD1 LEU 53 8.523 5.574 3.096 367 HD13 LEU 53 3HD1 LEU 53 9.300 6.961 2.333 368 HD21 LEU 53 1HD2 LEU 53 6.323 6.359 3.425 369 HD22 LEU 53 2HD2 LEU 53 6.207 4.917 2.416 370 HD23 LEU 53 3HD2 LEU 53 5.273 6.357 2.009 371 H THR 54 H THR 54 7.952 10.100 -1.572 372 HA THR 54 HA THR 54 6.791 8.216 -3.320 373 HB THR 54 HB THR 54 8.269 10.510 -4.497 374 HG1 THR 54 1HG THR 54 6.368 10.726 -2.457 375 HG21 THR 54 1HG2 THR 54 6.813 10.125 -6.138 376 HG22 THR 54 2HG2 THR 54 5.466 10.433 -5.043 377 HG23 THR 54 3HG2 THR 54 6.123 8.804 -5.197 378 HA PRO 55 HA PRO 55 11.201 7.994 -5.330 379 HB2 PRO 55 1HB PRO 55 13.270 8.839 -3.790 380 HB3 PRO 55 2HB PRO 55 12.395 9.907 -4.894 381 HG2 PRO 55 1HG PRO 55 12.088 9.581 -1.934 382 HG3 PRO 55 2HG PRO 55 12.114 11.068 -2.899 383 HD2 PRO 55 1HD PRO 55 9.814 9.950 -2.006 384 HD3 PRO 55 2HD PRO 55 9.911 10.840 -3.540 385 H GLU 56 H GLU 56 10.836 7.510 -1.865 386 HA GLU 56 HA GLU 56 12.693 5.328 -1.729 387 HB2 GLU 56 1HB GLU 56 10.554 6.208 0.218 388 HB3 GLU 56 2HB GLU 56 11.801 5.016 0.553 389 HG2 GLU 56 1HG GLU 56 12.197 7.944 -0.005 390 HG3 GLU 56 2HG GLU 56 12.429 7.108 1.530 391 H TRP 57 H TRP 57 9.186 5.659 -1.962 392 HA TRP 57 HA TRP 57 8.655 2.864 -1.729 393 HB2 TRP 57 1HB TRP 57 7.016 4.732 -1.247 394 HB3 TRP 57 2HB TRP 57 6.866 4.947 -2.989 395 HD1 TRP 57 HD TRP 57 4.733 3.843 -3.839 396 HE1 TRP 57 1HE TRP 57 3.403 1.708 -3.291 397 HE3 TRP 57 3HE TRP 57 7.638 2.028 -0.044 398 HZ2 TRP 57 2HZ TRP 57 3.564 -0.458 -1.488 399 HZ3 TRP 57 3HZ TRP 57 6.981 -0.081 1.040 400 HH2 TRP 57 HH TRP 57 4.986 -1.297 0.331 401 H LYS 58 H LYS 58 8.967 5.110 -4.447 402 HA LYS 58 HA LYS 58 8.230 3.380 -6.508 403 HB2 LYS 58 1HB LYS 58 10.013 5.788 -6.368 404 HB3 LYS 58 2HB LYS 58 9.888 4.872 -7.864 405 HG2 LYS 58 1HG LYS 58 7.478 5.246 -7.900 406 HG3 LYS 58 2HG LYS 58 7.595 6.155 -6.392 407 HD2 LYS 58 1HD LYS 58 9.274 7.637 -7.655 408 HD3 LYS 58 2HD LYS 58 8.630 6.881 -9.115 409 HE2 LYS 58 1HE LYS 58 6.457 7.724 -8.702 410 HE3 LYS 58 2HE LYS 58 6.875 8.197 -7.056 411 HZ1 LYS 58 1HZ LYS 58 8.253 9.385 -9.382 412 HZ2 LYS 58 2HZ LYS 58 8.123 9.989 -7.807 413 HZ3 LYS 58 3HZ LYS 58 6.777 10.004 -8.832 414 H LYS 59 H LYS 59 11.435 4.000 -5.105 415 HA LYS 59 HA LYS 59 13.023 2.471 -6.731 416 HB2 LYS 59 1HB LYS 59 13.117 3.205 -3.851 417 HB3 LYS 59 2HB LYS 59 14.202 1.930 -4.390 418 HG2 LYS 59 1HG LYS 59 15.089 3.464 -6.111 419 HG3 LYS 59 2HG LYS 59 14.060 4.741 -5.459 420 HD2 LYS 59 1HD LYS 59 15.900 3.279 -3.621 421 HD3 LYS 59 2HD LYS 59 16.562 4.511 -4.697 422 HE2 LYS 59 1HE LYS 59 14.134 5.174 -3.112 423 HE3 LYS 59 2HE LYS 59 15.683 5.104 -2.274 424 HZ1 LYS 59 1HZ LYS 59 14.979 6.830 -4.582 425 HZ2 LYS 59 2HZ LYS 59 16.546 6.674 -3.967 426 HZ3 LYS 59 3HZ LYS 59 15.320 7.327 -3.001 427 H ALA 60 H ALA 60 11.367 1.317 -3.790 428 HA ALA 60 HA ALA 60 12.084 -1.367 -4.004 429 HB1 ALA 60 1HB ALA 60 10.691 -1.729 -2.250 430 HB2 ALA 60 2HB ALA 60 10.768 0.031 -2.157 431 HB3 ALA 60 3HB ALA 60 9.392 -0.751 -2.935 432 H ALA 61 H ALA 61 9.492 0.433 -5.542 433 HA ALA 61 HA ALA 61 8.021 -1.770 -6.517 434 HB1 ALA 61 1HB ALA 61 7.914 1.072 -6.719 435 HB2 ALA 61 2HB ALA 61 7.749 0.376 -8.332 436 HB3 ALA 61 3HB ALA 61 6.647 -0.112 -7.044 437 H THR 62 H THR 62 10.760 0.032 -7.805 438 HA THR 62 HA THR 62 10.746 -1.051 -10.403 439 HB THR 62 HB THR 62 13.144 -0.092 -8.829 440 HG1 THR 62 1HG THR 62 11.512 1.508 -8.976 441 HG21 THR 62 1HG2 THR 62 14.204 0.257 -10.946 442 HG22 THR 62 2HG2 THR 62 12.727 -0.159 -11.816 443 HG23 THR 62 3HG2 THR 62 13.603 -1.400 -10.921 444 H ALA 63 H ALA 63 12.388 -2.080 -7.434 445 HA ALA 63 HA ALA 63 13.686 -4.307 -8.685 446 HB1 ALA 63 1HB ALA 63 14.766 -3.364 -6.797 447 HB2 ALA 63 2HB ALA 63 13.316 -3.521 -5.804 448 HB3 ALA 63 3HB ALA 63 14.199 -4.962 -6.311 449 H LEU 64 H LEU 64 10.895 -3.937 -6.515 450 HA LEU 64 HA LEU 64 10.260 -6.757 -6.715 451 HB2 LEU 64 1HB LEU 64 8.576 -4.609 -5.458 452 HB3 LEU 64 2HB LEU 64 8.549 -6.341 -5.132 453 HG LEU 64 HG LEU 64 10.983 -4.705 -4.512 454 HD11 LEU 64 1HD1 LEU 64 8.579 -5.071 -2.730 455 HD12 LEU 64 2HD1 LEU 64 9.126 -3.552 -3.440 456 HD13 LEU 64 3HD1 LEU 64 10.127 -4.379 -2.246 457 HD21 LEU 64 1HD2 LEU 64 11.177 -6.472 -2.740 458 HD22 LEU 64 2HD2 LEU 64 11.317 -7.056 -4.398 459 HD23 LEU 64 3HD2 LEU 64 9.814 -7.291 -3.504 460 H LYS 65 H LYS 65 10.017 -4.501 -8.906 461 HA LYS 65 HA LYS 65 7.398 -4.175 -9.690 462 HB2 LYS 65 1HB LYS 65 8.979 -2.984 -10.933 463 HB3 LYS 65 2HB LYS 65 9.960 -4.412 -11.234 464 HG2 LYS 65 1HG LYS 65 8.203 -5.272 -12.730 465 HG3 LYS 65 2HG LYS 65 7.284 -3.788 -12.467 466 HD2 LYS 65 1HD LYS 65 8.384 -3.278 -14.420 467 HD3 LYS 65 2HD LYS 65 9.517 -2.639 -13.226 468 HE2 LYS 65 1HE LYS 65 11.052 -4.289 -13.600 469 HE3 LYS 65 2HE LYS 65 9.830 -5.472 -14.064 470 HZ1 LYS 65 1HZ LYS 65 9.838 -4.780 -16.208 471 HZ2 LYS 65 2HZ LYS 65 11.428 -4.356 -15.818 472 HZ3 LYS 65 3HZ LYS 65 10.216 -3.175 -15.827 473 H ASP 66 H ASP 66 9.585 -6.834 -10.595 474 HA ASP 66 HA ASP 66 7.332 -8.306 -11.727 475 HB2 ASP 66 1HB ASP 66 10.313 -8.613 -11.836 476 HB3 ASP 66 2HB ASP 66 9.278 -9.986 -12.217 477 H VAL 67 H VAL 67 9.256 -8.173 -8.884 478 HA VAL 67 HA VAL 67 8.722 -10.874 -8.032 479 HB VAL 67 HB VAL 67 9.599 -8.713 -6.155 480 HG11 VAL 67 1HG1 VAL 67 10.996 -10.592 -5.286 481 HG12 VAL 67 2HG1 VAL 67 9.257 -10.873 -5.187 482 HG13 VAL 67 3HG1 VAL 67 10.206 -11.649 -6.456 483 HG21 VAL 67 1HG2 VAL 67 11.977 -9.425 -6.961 484 HG22 VAL 67 2HG2 VAL 67 11.138 -9.827 -8.459 485 HG23 VAL 67 3HG2 VAL 67 11.087 -8.179 -7.835 486 H VAL 68 H VAL 68 7.927 -7.760 -6.485 487 HA VAL 68 HA VAL 68 5.320 -8.911 -5.728 488 HB VAL 68 HB VAL 68 7.027 -7.035 -4.086 489 HG11 VAL 68 1HG1 VAL 68 4.206 -7.943 -3.853 490 HG12 VAL 68 2HG1 VAL 68 5.149 -7.752 -2.374 491 HG13 VAL 68 3HG1 VAL 68 4.927 -6.382 -3.463 492 HG21 VAL 68 1HG2 VAL 68 6.473 -9.970 -3.949 493 HG22 VAL 68 2HG2 VAL 68 8.005 -9.112 -3.786 494 HG23 VAL 68 3HG2 VAL 68 6.825 -9.065 -2.476 495 H LYS 69 H LYS 69 3.717 -7.890 -6.711 496 HA LYS 69 HA LYS 69 3.924 -5.530 -8.163 497 HB2 LYS 69 1HB LYS 69 1.544 -6.926 -6.950 498 HB3 LYS 69 2HB LYS 69 1.378 -5.483 -7.941 499 HG2 LYS 69 1HG LYS 69 2.944 -7.752 -9.040 500 HG3 LYS 69 2HG LYS 69 1.187 -7.907 -8.962 501 HD2 LYS 69 1HD LYS 69 0.862 -6.019 -10.346 502 HD3 LYS 69 2HD LYS 69 2.546 -5.515 -10.179 503 HE2 LYS 69 1HE LYS 69 2.362 -6.475 -12.329 504 HE3 LYS 69 2HE LYS 69 3.171 -7.679 -11.327 505 HZ1 LYS 69 1HZ LYS 69 0.474 -8.195 -11.094 506 HZ2 LYS 69 2HZ LYS 69 1.611 -9.097 -11.962 507 HZ3 LYS 69 3HZ LYS 69 0.721 -7.886 -12.739 508 H VAL 70 H VAL 70 4.729 -3.744 -7.192 509 HA VAL 70 HA VAL 70 3.614 -2.877 -4.632 510 HB VAL 70 HB VAL 70 5.933 -1.780 -6.228 511 HG11 VAL 70 1HG1 VAL 70 4.859 -0.026 -4.930 512 HG12 VAL 70 2HG1 VAL 70 4.941 -1.028 -3.480 513 HG13 VAL 70 3HG1 VAL 70 6.425 -0.442 -4.234 514 HG21 VAL 70 1HG2 VAL 70 5.696 -3.721 -3.980 515 HG22 VAL 70 2HG2 VAL 70 6.755 -3.754 -5.390 516 HG23 VAL 70 3HG2 VAL 70 7.106 -2.663 -4.049 517 H GLY 71 H GLY 71 1.733 -1.822 -4.869 518 HA2 GLY 71 1HA GLY 71 1.397 0.027 -7.118 519 HA3 GLY 71 2HA GLY 71 0.121 -0.556 -6.059 520 H ALA 72 H ALA 72 -0.585 1.636 -5.852 521 HA ALA 72 HA ALA 72 0.455 2.919 -3.541 522 HB1 ALA 72 1HB ALA 72 2.162 3.679 -5.104 523 HB2 ALA 72 2HB ALA 72 0.914 4.337 -6.163 524 HB3 ALA 72 3HB ALA 72 1.163 5.026 -4.559 525 H VAL 73 H VAL 73 -1.336 3.581 -2.570 526 HA VAL 73 HA VAL 73 -3.535 4.634 -4.226 527 HB VAL 73 HB VAL 73 -3.550 2.950 -1.755 528 HG11 VAL 73 1HG1 VAL 73 -6.149 3.652 -1.920 529 HG12 VAL 73 2HG1 VAL 73 -4.997 4.402 -0.813 530 HG13 VAL 73 3HG1 VAL 73 -5.381 5.180 -2.349 531 HG21 VAL 73 1HG2 VAL 73 -5.397 1.840 -3.013 532 HG22 VAL 73 2HG2 VAL 73 -5.088 2.949 -4.349 533 HG23 VAL 73 3HG2 VAL 73 -3.841 1.810 -3.842 534 H ASN 74 H ASN 74 -3.988 6.716 -3.981 535 HA ASN 74 HA ASN 74 -2.661 8.320 -2.036 536 HB2 ASN 74 1HB ASN 74 -3.150 9.263 -4.203 537 HB3 ASN 74 2HB ASN 74 -4.873 8.959 -3.996 538 HD21 ASN 74 1HD2 ASN 74 -4.714 11.338 -4.602 539 HD22 ASN 74 2HD2 ASN 74 -4.653 12.453 -3.285 540 H ALA 75 H ALA 75 -3.290 7.579 -0.003 541 HA ALA 75 HA ALA 75 -5.725 6.957 1.002 542 HB1 ALA 75 1HB ALA 75 -4.309 8.748 2.813 543 HB2 ALA 75 2HB ALA 75 -4.710 7.039 2.990 544 HB3 ALA 75 3HB ALA 75 -3.269 7.518 2.092 545 H ASP 76 H ASP 76 -4.496 10.218 0.421 546 HA ASP 76 HA ASP 76 -6.587 11.647 1.624 547 HB2 ASP 76 1HB ASP 76 -4.459 12.682 0.944 548 HB3 ASP 76 2HB ASP 76 -4.885 12.443 -0.749 549 H LYS 77 H LYS 77 -6.159 10.578 -1.737 550 HA LYS 77 HA LYS 77 -8.742 11.577 -2.527 551 HB2 LYS 77 1HB LYS 77 -7.058 11.605 -4.207 552 HB3 LYS 77 2HB LYS 77 -6.643 9.920 -3.920 553 HG2 LYS 77 1HG LYS 77 -9.103 9.478 -4.653 554 HG3 LYS 77 2HG LYS 77 -8.966 11.077 -5.389 555 HD2 LYS 77 1HD LYS 77 -6.904 8.946 -5.865 556 HD3 LYS 77 2HD LYS 77 -8.381 9.034 -6.829 557 HE2 LYS 77 1HE LYS 77 -7.818 11.160 -7.677 558 HE3 LYS 77 2HE LYS 77 -6.559 11.397 -6.467 559 HZ1 LYS 77 1HZ LYS 77 -6.360 10.212 -9.024 560 HZ2 LYS 77 2HZ LYS 77 -5.901 9.089 -7.845 561 HZ3 LYS 77 3HZ LYS 77 -5.126 10.590 -7.930 562 H HIS 78 H HIS 78 -7.320 8.303 -2.440 563 HA HIS 78 HA HIS 78 -9.931 7.086 -2.576 564 HB2 HIS 78 1HB HIS 78 -7.252 5.776 -2.070 565 HB3 HIS 78 2HB HIS 78 -8.741 4.970 -2.557 566 HD1 HIS 78 1HD HIS 78 -9.567 6.886 -4.852 567 HD2 HIS 78 2HD HIS 78 -5.742 5.361 -4.306 568 HE1 HIS 78 1HE HIS 78 -8.474 6.987 -7.114 569 HE2 HIS 78 2HE HIS 78 -6.191 5.979 -6.777 570 H GLN 79 H GLN 79 -9.788 8.727 -0.359 571 HA GLN 79 HA GLN 79 -8.979 7.741 2.052 572 HB2 GLN 79 1HB GLN 79 -11.391 9.329 1.249 573 HB3 GLN 79 2HB GLN 79 -11.198 8.817 2.921 574 HG2 GLN 79 1HG GLN 79 -9.317 10.127 3.243 575 HG3 GLN 79 2HG GLN 79 -8.987 10.252 1.515 576 HE21 GLN 79 1HE2 GLN 79 -8.860 12.529 2.773 577 HE22 GLN 79 2HE2 GLN 79 -10.258 13.510 2.513 578 H SER 80 H SER 80 -11.645 6.632 0.088 579 HA SER 80 HA SER 80 -12.979 5.094 2.039 580 HB2 SER 80 1HB SER 80 -12.856 4.724 -0.964 581 HB3 SER 80 2HB SER 80 -14.002 3.919 0.109 582 HG SER 80 HG SER 80 -13.995 6.492 -0.849 583 H LEU 81 H LEU 81 -10.561 4.182 -0.407 584 HA LEU 81 HA LEU 81 -10.387 1.472 0.217 585 HB2 LEU 81 1HB LEU 81 -8.328 3.385 -0.861 586 HB3 LEU 81 2HB LEU 81 -8.060 1.647 -0.734 587 HG LEU 81 HG LEU 81 -10.234 2.930 -2.386 588 HD11 LEU 81 1HD1 LEU 81 -7.810 1.588 -3.504 589 HD12 LEU 81 2HD1 LEU 81 -7.752 3.290 -3.046 590 HD13 LEU 81 3HD1 LEU 81 -8.905 2.744 -4.264 591 HD21 LEU 81 1HD2 LEU 81 -10.088 0.372 -1.409 592 HD22 LEU 81 2HD2 LEU 81 -9.355 0.218 -3.006 593 HD23 LEU 81 3HD2 LEU 81 -10.984 0.875 -2.843 594 H GLY 82 H GLY 82 -8.297 4.131 1.362 595 HA2 GLY 82 1HA GLY 82 -6.711 2.644 3.098 596 HA3 GLY 82 2HA GLY 82 -7.066 4.355 3.286 597 H GLY 83 H GLY 83 -9.480 4.679 4.075 598 HA2 GLY 83 1HA GLY 83 -9.593 3.804 6.717 599 HA3 GLY 83 2HA GLY 83 -10.950 4.475 5.825 600 H GLN 84 H GLN 84 -11.116 2.447 3.834 601 HA GLN 84 HA GLN 84 -12.851 0.648 5.045 602 HB2 GLN 84 1HB GLN 84 -12.887 1.090 2.649 603 HB3 GLN 84 2HB GLN 84 -11.306 0.342 2.465 604 HG2 GLN 84 1HG GLN 84 -12.235 -1.806 3.150 605 HG3 GLN 84 2HG GLN 84 -13.820 -1.059 3.348 606 HE21 GLN 84 1HE2 GLN 84 -11.265 -1.137 0.879 607 HE22 GLN 84 2HE2 GLN 84 -12.324 -1.459 -0.448 608 H TYR 85 H TYR 85 -9.447 0.669 5.021 609 HA TYR 85 HA TYR 85 -9.331 -2.167 5.788 610 HB2 TYR 85 1HB TYR 85 -7.308 -0.275 4.635 611 HB3 TYR 85 2HB TYR 85 -6.781 -1.702 5.520 612 HD1 TYR 85 1HD TYR 85 -9.271 -0.865 2.851 613 HD2 TYR 85 2HD TYR 85 -6.270 -3.543 4.240 614 HE1 TYR 85 1HE TYR 85 -9.546 -2.220 0.817 615 HE2 TYR 85 2HE TYR 85 -6.536 -4.904 2.209 616 HH TYR 85 HH TYR 85 -9.083 -4.255 -0.117 617 H GLY 86 H GLY 86 -8.393 1.088 6.789 618 HA2 GLY 86 1HA GLY 86 -8.803 1.286 9.318 619 HA3 GLY 86 2HA GLY 86 -7.596 0.012 9.412 620 H VAL 87 H VAL 87 -7.482 2.643 7.096 621 HA VAL 87 HA VAL 87 -4.886 3.424 8.139 622 HB VAL 87 HB VAL 87 -6.358 4.564 5.761 623 HG11 VAL 87 1HG1 VAL 87 -4.692 6.078 6.101 624 HG12 VAL 87 2HG1 VAL 87 -3.648 4.913 6.919 625 HG13 VAL 87 3HG1 VAL 87 -3.793 4.888 5.161 626 HG21 VAL 87 1HG2 VAL 87 -5.208 3.021 4.368 627 HG22 VAL 87 2HG2 VAL 87 -4.233 2.430 5.714 628 HG23 VAL 87 3HG2 VAL 87 -5.960 2.079 5.656 629 H GLN 88 H GLN 88 -4.616 5.023 9.540 630 HA GLN 88 HA GLN 88 -6.629 7.171 9.633 631 HB2 GLN 88 1HB GLN 88 -5.186 5.878 11.952 632 HB3 GLN 88 2HB GLN 88 -6.191 7.316 12.081 633 HG2 GLN 88 1HG GLN 88 -8.047 5.867 11.070 634 HG3 GLN 88 2HG GLN 88 -7.010 4.502 11.477 635 HE21 GLN 88 1HE2 GLN 88 -8.586 7.346 12.849 636 HE22 GLN 88 2HE2 GLN 88 -8.811 6.682 14.427 637 H GLY 89 H GLY 89 -3.258 6.247 10.010 638 HA2 GLY 89 1HA GLY 89 -2.534 9.081 9.633 639 HA3 GLY 89 2HA GLY 89 -1.727 8.107 10.853 640 H PHE 90 H PHE 90 -1.374 9.337 7.856 641 HA PHE 90 HA PHE 90 0.071 7.050 6.749 642 HB2 PHE 90 1HB PHE 90 0.098 9.553 5.217 643 HB3 PHE 90 2HB PHE 90 -0.331 7.924 4.706 644 HD1 PHE 90 2HD PHE 90 -2.549 7.355 6.597 645 HD2 PHE 90 1HD PHE 90 -1.628 10.847 4.344 646 HE1 PHE 90 2HE PHE 90 -4.928 7.981 6.602 647 HE2 PHE 90 1HE PHE 90 -4.006 11.479 4.347 648 HZ PHE 90 HZ PHE 90 -5.660 10.045 5.475 649 HA PRO 91 HA PRO 91 1.507 7.330 4.716 650 HB2 PRO 91 1HB PRO 91 3.805 5.890 4.574 651 HB3 PRO 91 2HB PRO 91 3.655 7.526 3.922 652 HG2 PRO 91 1HG PRO 91 4.837 6.624 6.520 653 HG3 PRO 91 2HG PRO 91 5.447 7.830 5.372 654 HD2 PRO 91 1HD PRO 91 4.128 8.510 7.637 655 HD3 PRO 91 2HD PRO 91 4.025 9.470 6.148 656 H THR 92 H THR 92 0.792 5.223 4.481 657 HA THR 92 HA THR 92 1.193 3.395 6.745 658 HB THR 92 HB THR 92 -1.477 4.057 5.490 659 HG1 THR 92 1HG THR 92 -1.715 5.278 7.197 660 HG21 THR 92 1HG2 THR 92 -2.440 2.269 6.553 661 HG22 THR 92 2HG2 THR 92 -1.203 2.210 7.809 662 HG23 THR 92 3HG2 THR 92 -0.855 1.583 6.198 663 H ILE 93 H ILE 93 2.332 1.813 5.792 664 HA ILE 93 HA ILE 93 1.632 0.919 3.107 665 HB ILE 93 HB ILE 93 3.887 0.058 4.921 666 HG12 ILE 93 1HG1 ILE 93 4.272 1.566 2.373 667 HG13 ILE 93 2HG1 ILE 93 3.729 2.453 3.793 668 HG21 ILE 93 1HG2 ILE 93 4.705 -0.732 2.524 669 HG22 ILE 93 2HG2 ILE 93 3.732 -1.765 3.570 670 HG23 ILE 93 3HG2 ILE 93 2.967 -0.867 2.259 671 HD11 ILE 93 1HD1 ILE 93 6.304 2.075 3.164 672 HD12 ILE 93 2HD1 ILE 93 5.724 2.291 4.816 673 HD13 ILE 93 3HD1 ILE 93 6.035 0.670 4.195 674 H LYS 94 H LYS 94 0.815 -1.066 2.609 675 HA LYS 94 HA LYS 94 0.226 -2.894 4.837 676 HB2 LYS 94 1HB LYS 94 -1.652 -1.834 2.743 677 HB3 LYS 94 2HB LYS 94 -1.950 -3.383 3.522 678 HG2 LYS 94 1HG LYS 94 -1.472 -0.936 5.169 679 HG3 LYS 94 2HG LYS 94 -3.059 -1.248 4.464 680 HD2 LYS 94 1HD LYS 94 -2.821 -3.588 5.525 681 HD3 LYS 94 2HD LYS 94 -1.549 -2.850 6.501 682 HE2 LYS 94 1HE LYS 94 -3.202 -1.101 7.180 683 HE3 LYS 94 2HE LYS 94 -4.446 -2.031 6.347 684 HZ1 LYS 94 1HZ LYS 94 -4.581 -3.463 8.028 685 HZ2 LYS 94 2HZ LYS 94 -3.708 -2.339 8.941 686 HZ3 LYS 94 3HZ LYS 94 -2.902 -3.613 8.173 687 H ILE 95 H ILE 95 0.487 -5.034 4.421 688 HA ILE 95 HA ILE 95 1.544 -5.722 1.768 689 HB ILE 95 HB ILE 95 1.848 -7.134 4.419 690 HG12 ILE 95 1HG1 ILE 95 4.128 -6.114 2.789 691 HG13 ILE 95 2HG1 ILE 95 3.163 -4.943 3.682 692 HG21 ILE 95 1HG2 ILE 95 1.694 -8.723 2.551 693 HG22 ILE 95 2HG2 ILE 95 3.011 -7.878 1.739 694 HG23 ILE 95 3HG2 ILE 95 3.304 -8.699 3.271 695 HD11 ILE 95 1HD1 ILE 95 5.301 -6.095 4.718 696 HD12 ILE 95 2HD1 ILE 95 3.896 -5.676 5.699 697 HD13 ILE 95 3HD1 ILE 95 4.121 -7.334 5.143 698 H PHE 96 H PHE 96 0.603 -7.229 0.505 699 HA PHE 96 HA PHE 96 -1.803 -8.559 1.566 700 HB2 PHE 96 1HB PHE 96 -1.224 -7.427 -1.166 701 HB3 PHE 96 2HB PHE 96 -2.511 -8.598 -0.900 702 HD1 PHE 96 1HD PHE 96 -1.272 -5.350 0.444 703 HD2 PHE 96 2HD PHE 96 -4.623 -7.825 -0.428 704 HE1 PHE 96 1HE PHE 96 -2.786 -3.527 1.106 705 HE2 PHE 96 2HE PHE 96 -6.142 -6.005 0.232 706 HZ PHE 96 HZ PHE 96 -5.225 -3.853 1.000 707 H GLY 97 H GLY 97 -1.880 -10.720 1.492 708 HA2 GLY 97 1HA GLY 97 -0.540 -12.266 -0.506 709 HA3 GLY 97 2HA GLY 97 0.310 -12.320 1.031 710 H ALA 98 H ALA 98 -0.678 -13.312 2.825 711 HA ALA 98 HA ALA 98 -1.993 -15.670 2.408 712 HB1 ALA 98 1HB ALA 98 -2.740 -14.320 4.915 713 HB2 ALA 98 2HB ALA 98 -1.990 -15.894 4.650 714 HB3 ALA 98 3HB ALA 98 -1.010 -14.430 4.592 715 H ASN 99 H ASN 99 -3.595 -12.729 3.653 716 HA ASN 99 HA ASN 99 -6.079 -13.672 2.378 717 HB2 ASN 99 1HB ASN 99 -6.094 -13.758 4.888 718 HB3 ASN 99 2HB ASN 99 -5.893 -12.008 4.896 719 HD21 ASN 99 1HD2 ASN 99 -7.905 -12.079 6.109 720 HD22 ASN 99 2HD2 ASN 99 -9.401 -12.134 5.246 721 H LYS 100 H LYS 100 -6.276 -12.480 0.583 722 HA LYS 100 HA LYS 100 -5.277 -9.886 0.207 723 HB2 LYS 100 1HB LYS 100 -7.319 -11.554 -1.226 724 HB3 LYS 100 2HB LYS 100 -7.054 -9.881 -1.699 725 HG2 LYS 100 1HG LYS 100 -4.989 -12.073 -1.666 726 HG3 LYS 100 2HG LYS 100 -5.759 -11.374 -3.093 727 HD2 LYS 100 1HD LYS 100 -4.816 -9.143 -2.325 728 HD3 LYS 100 2HD LYS 100 -3.837 -10.065 -1.181 729 HE2 LYS 100 1HE LYS 100 -3.853 -10.540 -4.158 730 HE3 LYS 100 2HE LYS 100 -2.687 -9.507 -3.331 731 HZ1 LYS 100 1HZ LYS 100 -2.186 -11.539 -1.929 732 HZ2 LYS 100 2HZ LYS 100 -1.646 -11.573 -3.532 733 HZ3 LYS 100 3HZ LYS 100 -3.033 -12.434 -3.088 734 H ASN 101 H ASN 101 -8.101 -11.010 1.796 735 HA ASN 101 HA ASN 101 -9.561 -8.529 1.559 736 HB2 ASN 101 1HB ASN 101 -10.028 -11.181 2.827 737 HB3 ASN 101 2HB ASN 101 -10.891 -9.802 3.501 738 HD21 ASN 101 1HD2 ASN 101 -10.249 -11.541 0.505 739 HD22 ASN 101 2HD2 ASN 101 -11.750 -11.150 -0.255 740 H LYS 102 H LYS 102 -7.327 -10.000 3.773 741 HA LYS 102 HA LYS 102 -7.427 -7.572 5.422 742 HB2 LYS 102 1HB LYS 102 -7.050 -10.311 6.624 743 HB3 LYS 102 2HB LYS 102 -7.341 -8.791 7.460 744 HG2 LYS 102 1HG LYS 102 -9.605 -8.718 6.567 745 HG3 LYS 102 2HG LYS 102 -9.317 -10.226 5.696 746 HD2 LYS 102 1HD LYS 102 -8.679 -11.105 8.091 747 HD3 LYS 102 2HD LYS 102 -9.685 -9.753 8.617 748 HE2 LYS 102 1HE LYS 102 -10.746 -11.554 6.504 749 HE3 LYS 102 2HE LYS 102 -10.694 -12.160 8.158 750 HZ1 LYS 102 1HZ LYS 102 -11.983 -9.611 7.351 751 HZ2 LYS 102 2HZ LYS 102 -12.030 -10.328 8.882 752 HZ3 LYS 102 3HZ LYS 102 -12.810 -11.069 7.577 753 HA PRO 103 HA PRO 103 -3.111 -8.201 4.102 754 HB2 PRO 103 1HB PRO 103 -2.470 -5.567 4.249 755 HB3 PRO 103 2HB PRO 103 -3.274 -6.283 2.847 756 HG2 PRO 103 1HG PRO 103 -4.454 -4.738 5.123 757 HG3 PRO 103 2HG PRO 103 -4.808 -4.622 3.389 758 HD2 PRO 103 1HD PRO 103 -6.400 -5.973 5.113 759 HD3 PRO 103 2HD PRO 103 -6.192 -6.465 3.420 760 H GLU 104 H GLU 104 -1.044 -7.427 5.148 761 HA GLU 104 HA GLU 104 -1.372 -7.537 8.059 762 HB2 GLU 104 1HB GLU 104 0.928 -8.189 6.226 763 HB3 GLU 104 2HB GLU 104 1.141 -8.030 7.964 764 HG2 GLU 104 1HG GLU 104 -0.997 -9.837 6.980 765 HG3 GLU 104 2HG GLU 104 0.679 -10.359 6.818 766 H ASP 105 H ASP 105 0.126 -6.263 9.394 767 HA ASP 105 HA ASP 105 0.208 -3.528 8.456 768 HB2 ASP 105 1HB ASP 105 1.144 -4.619 11.115 769 HB3 ASP 105 2HB ASP 105 0.761 -2.944 10.728 770 H TYR 106 H TYR 106 1.854 -2.902 7.225 771 HA TYR 106 HA TYR 106 4.344 -4.199 7.069 772 HB2 TYR 106 1HB TYR 106 3.466 -2.833 5.241 773 HB3 TYR 106 2HB TYR 106 3.588 -1.389 6.240 774 HD1 TYR 106 1HD TYR 106 5.843 -0.534 6.889 775 HD2 TYR 106 2HD TYR 106 5.349 -3.681 4.069 776 HE1 TYR 106 1HE TYR 106 8.139 -0.167 6.088 777 HE2 TYR 106 2HE TYR 106 7.644 -3.324 3.260 778 HH TYR 106 HH TYR 106 9.933 -1.666 4.894 779 H GLN 107 H GLN 107 5.696 -4.334 8.742 780 HA GLN 107 HA GLN 107 6.244 -1.884 10.285 781 HB2 GLN 107 1HB GLN 107 5.860 -4.701 11.107 782 HB3 GLN 107 2HB GLN 107 7.151 -3.829 11.922 783 HG2 GLN 107 1HG GLN 107 5.235 -3.577 13.261 784 HG3 GLN 107 2HG GLN 107 5.465 -2.036 12.436 785 HE21 GLN 107 1HE2 GLN 107 4.043 -1.446 10.781 786 HE22 GLN 107 2HE2 GLN 107 2.495 -2.191 10.605 787 H GLY 108 H GLY 108 7.560 -2.357 7.875 788 HA2 GLY 108 1HA GLY 108 10.254 -3.167 8.779 789 HA3 GLY 108 2HA GLY 108 9.682 -3.339 7.126 790 H GLY 109 H GLY 109 11.958 -2.149 7.155 791 HA2 GLY 109 1HA GLY 109 12.055 0.600 7.753 792 HA3 GLY 109 2HA GLY 109 13.111 -0.237 6.625 793 H ARG 110 H ARG 110 11.127 2.291 6.827 794 HA ARG 110 HA ARG 110 9.631 1.983 4.386 795 HB2 ARG 110 1HB ARG 110 10.072 4.273 6.290 796 HB3 ARG 110 2HB ARG 110 9.208 4.486 4.774 797 HG2 ARG 110 1HG ARG 110 7.496 2.981 5.442 798 HG3 ARG 110 2HG ARG 110 8.422 2.461 6.852 799 HD2 ARG 110 1HD ARG 110 7.713 5.343 6.543 800 HD3 ARG 110 2HD ARG 110 6.484 4.206 7.096 801 HE ARG 110 HE ARG 110 8.983 4.072 8.533 802 HH11 ARG 110 2HH1 ARG 110 5.828 5.531 8.341 803 HH12 ARG 110 1HH1 ARG 110 5.781 5.959 10.020 804 HH21 ARG 110 2HH2 ARG 110 8.933 4.630 10.744 805 HH22 ARG 110 1HH2 ARG 110 7.547 5.447 11.385 806 H THR 111 H THR 111 12.275 1.492 3.844 807 HA THR 111 HA THR 111 13.025 3.843 2.233 808 HB THR 111 HB THR 111 15.407 3.073 2.450 809 HG1 THR 111 1HG THR 111 14.632 1.644 4.748 810 HG21 THR 111 1HG2 THR 111 15.701 4.502 4.168 811 HG22 THR 111 2HG2 THR 111 14.641 3.585 5.239 812 HG23 THR 111 3HG2 THR 111 13.954 4.713 4.071 813 H GLY 112 H GLY 112 13.498 3.496 0.119 814 HA2 GLY 112 1HA GLY 112 12.501 1.543 -1.398 815 HA3 GLY 112 2HA GLY 112 14.029 2.306 -1.812 816 H GLU 113 H GLU 113 15.431 1.224 0.507 817 HA GLU 113 HA GLU 113 16.171 -1.300 -0.644 818 HB2 GLU 113 1HB GLU 113 17.186 -0.501 2.034 819 HB3 GLU 113 2HB GLU 113 18.048 -1.189 0.665 820 HG2 GLU 113 1HG GLU 113 17.485 1.166 -0.401 821 HG3 GLU 113 2HG GLU 113 17.432 1.639 1.296 822 H ALA 114 H ALA 114 15.096 -0.382 2.634 823 HA ALA 114 HA ALA 114 14.735 -2.875 3.710 824 HB1 ALA 114 1HB ALA 114 14.416 -1.216 5.251 825 HB2 ALA 114 2HB ALA 114 13.414 -0.249 4.169 826 HB3 ALA 114 3HB ALA 114 12.742 -1.681 4.948 827 H ILE 115 H ILE 115 12.290 -0.991 1.929 828 HA ILE 115 HA ILE 115 10.167 -2.723 2.031 829 HB ILE 115 HB ILE 115 11.006 -1.101 -0.376 830 HG12 ILE 115 1HG1 ILE 115 8.903 -0.219 1.545 831 HG13 ILE 115 2HG1 ILE 115 10.585 -0.056 2.037 832 HG21 ILE 115 1HG2 ILE 115 8.246 -2.040 0.377 833 HG22 ILE 115 2HG2 ILE 115 8.742 -1.230 -1.109 834 HG23 ILE 115 3HG2 ILE 115 9.285 -2.875 -0.778 835 HD11 ILE 115 1HD1 ILE 115 9.451 1.933 0.904 836 HD12 ILE 115 2HD1 ILE 115 11.056 1.462 0.341 837 HD13 ILE 115 3HD1 ILE 115 9.627 1.010 -0.589 838 H VAL 116 H VAL 116 12.894 -2.799 -0.234 839 HA VAL 116 HA VAL 116 12.019 -4.888 -1.863 840 HB VAL 116 HB VAL 116 14.797 -3.996 -1.112 841 HG11 VAL 116 1HG1 VAL 116 15.228 -5.400 -3.352 842 HG12 VAL 116 2HG1 VAL 116 15.403 -6.087 -1.736 843 HG13 VAL 116 3HG1 VAL 116 13.923 -6.360 -2.656 844 HG21 VAL 116 1HG2 VAL 116 14.828 -3.018 -3.307 845 HG22 VAL 116 2HG2 VAL 116 13.274 -3.752 -3.704 846 HG23 VAL 116 3HG2 VAL 116 13.365 -2.488 -2.477 847 H ASP 117 H ASP 117 13.760 -4.946 1.208 848 HA ASP 117 HA ASP 117 14.153 -7.782 1.196 849 HB2 ASP 117 1HB ASP 117 15.479 -5.953 2.483 850 HB3 ASP 117 2HB ASP 117 14.196 -6.095 3.682 851 H ALA 118 H ALA 118 11.850 -5.575 2.731 852 HA ALA 118 HA ALA 118 10.493 -7.490 4.280 853 HB1 ALA 118 1HB ALA 118 9.711 -5.543 5.027 854 HB2 ALA 118 2HB ALA 118 10.116 -4.713 3.524 855 HB3 ALA 118 3HB ALA 118 8.591 -5.587 3.665 856 H ALA 119 H ALA 119 9.858 -6.244 1.016 857 HA ALA 119 HA ALA 119 7.479 -7.620 0.523 858 HB1 ALA 119 1HB ALA 119 8.462 -5.782 -0.869 859 HB2 ALA 119 2HB ALA 119 9.569 -6.977 -1.547 860 HB3 ALA 119 3HB ALA 119 7.830 -7.151 -1.784 861 H LEU 120 H LEU 120 10.842 -8.584 -0.086 862 HA LEU 120 HA LEU 120 10.276 -11.035 -1.338 863 HB2 LEU 120 1HB LEU 120 12.666 -10.141 0.263 864 HB3 LEU 120 2HB LEU 120 12.600 -11.649 -0.646 865 HG LEU 120 HG LEU 120 12.103 -9.068 -2.063 866 HD11 LEU 120 1HD1 LEU 120 14.450 -9.553 -0.586 867 HD12 LEU 120 2HD1 LEU 120 14.152 -8.280 -1.769 868 HD13 LEU 120 3HD1 LEU 120 14.849 -9.816 -2.284 869 HD21 LEU 120 1HD2 LEU 120 12.081 -11.656 -2.864 870 HD22 LEU 120 2HD2 LEU 120 13.751 -11.211 -3.215 871 HD23 LEU 120 3HD2 LEU 120 12.424 -10.288 -3.923 872 H SER 121 H SER 121 11.244 -10.403 2.038 873 HA SER 121 HA SER 121 11.159 -12.884 3.113 874 HB2 SER 121 1HB SER 121 11.492 -10.562 4.250 875 HB3 SER 121 2HB SER 121 9.762 -10.663 4.577 876 HG SER 121 HG SER 121 11.827 -11.956 5.778 877 H ALA 122 H ALA 122 8.341 -10.820 2.498 878 HA ALA 122 HA ALA 122 6.452 -12.713 3.498 879 HB1 ALA 122 1HB ALA 122 5.507 -10.656 3.583 880 HB2 ALA 122 2HB ALA 122 6.333 -10.093 2.129 881 HB3 ALA 122 3HB ALA 122 4.916 -11.134 1.991 882 H LEU 123 H LEU 123 7.718 -11.908 0.306 883 HA LEU 123 HA LEU 123 5.954 -13.311 -1.301 884 HB2 LEU 123 1HB LEU 123 7.844 -11.811 -2.018 885 HB3 LEU 123 2HB LEU 123 8.929 -13.172 -1.741 886 HG LEU 123 HG LEU 123 8.321 -12.816 -4.126 887 HD11 LEU 123 1HD1 LEU 123 8.685 -14.987 -4.428 888 HD12 LEU 123 2HD1 LEU 123 7.123 -15.415 -3.731 889 HD13 LEU 123 3HD1 LEU 123 8.521 -15.181 -2.683 890 HD21 LEU 123 1HD2 LEU 123 5.605 -13.881 -3.427 891 HD22 LEU 123 2HD2 LEU 123 6.157 -13.157 -4.938 892 HD23 LEU 123 3HD2 LEU 123 5.926 -12.149 -3.509 893 H ARG 124 H ARG 124 9.020 -14.501 0.079 894 HA ARG 124 HA ARG 124 8.614 -17.176 -0.789 895 HB2 ARG 124 1HB ARG 124 10.502 -17.710 0.727 896 HB3 ARG 124 2HB ARG 124 10.851 -16.370 -0.357 897 HG2 ARG 124 1HG ARG 124 10.173 -14.848 1.567 898 HG3 ARG 124 2HG ARG 124 10.267 -16.288 2.583 899 HD2 ARG 124 1HD ARG 124 12.604 -16.615 1.780 900 HD3 ARG 124 2HD ARG 124 12.482 -15.069 0.942 901 HE ARG 124 HE ARG 124 11.880 -14.954 3.761 902 HH11 ARG 124 2HH1 ARG 124 14.357 -14.745 1.322 903 HH12 ARG 124 1HH1 ARG 124 15.431 -13.810 2.308 904 HH21 ARG 124 2HH2 ARG 124 13.287 -13.724 5.069 905 HH22 ARG 124 1HH2 ARG 124 14.822 -13.230 4.439 906 H SER 125 H SER 125 7.951 -15.443 2.205 907 HA SER 125 HA SER 125 7.471 -17.290 4.069 908 HB2 SER 125 1HB SER 125 5.978 -15.830 5.082 909 HB3 SER 125 2HB SER 125 6.814 -14.746 3.971 910 HG SER 125 HG SER 125 4.779 -14.331 3.470 911 H GLY 126 H GLY 126 5.057 -16.497 1.561 912 HA2 GLY 126 1HA GLY 126 4.194 -18.668 0.493 913 HA3 GLY 126 2HA GLY 126 3.739 -19.067 2.143 914 HA PRO 127 HA PRO 127 0.959 -15.394 0.563 915 HB2 PRO 127 1HB PRO 127 0.720 -15.272 -2.139 916 HB3 PRO 127 2HB PRO 127 1.939 -14.360 -1.240 917 HG2 PRO 127 1HG PRO 127 2.221 -16.940 -2.733 918 HG3 PRO 127 2HG PRO 127 3.311 -15.541 -2.700 919 HD2 PRO 127 1HD PRO 127 3.766 -17.776 -1.240 920 HD3 PRO 127 2HD PRO 127 4.249 -16.159 -0.688 921 H SER 128 H SER 128 1.215 -18.493 -1.052 922 HA SER 128 HA SER 128 -1.143 -19.003 -2.193 923 HB2 SER 128 1HB SER 128 0.768 -20.640 -1.565 924 HB3 SER 128 2HB SER 128 -0.177 -20.947 -0.108 925 HG SER 128 HG SER 128 -0.993 -22.394 -1.469 926 H SER 129 H SER 129 -3.240 -18.937 -1.715 927 HA SER 129 HA SER 129 -4.006 -18.462 1.077 928 HB2 SER 129 1HB SER 129 -5.378 -17.871 -1.546 929 HB3 SER 129 2HB SER 129 -6.210 -17.745 0.004 930 HG SER 129 HG SER 129 -5.212 -15.765 -0.811 931 H GLY 130 H GLY 130 -3.959 -20.623 1.786 932 HA2 GLY 130 1HA GLY 130 -4.963 -22.621 2.316 933 HA3 GLY 130 2HA GLY 130 -6.404 -22.021 1.508 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -14.974 3.468 -29.348 2 HA2 GLY 1 1HA GLY 1 -15.841 1.452 -27.456 3 HA3 GLY 1 2HA GLY 1 -14.192 1.749 -27.986 4 H SER 2 H SER 2 -15.690 1.500 -25.290 5 HA SER 2 HA SER 2 -15.039 4.046 -24.052 6 HB2 SER 2 1HB SER 2 -16.019 3.094 -22.029 7 HB3 SER 2 2HB SER 2 -17.097 2.827 -23.400 8 HG SER 2 HG SER 2 -17.017 0.845 -22.646 9 H SER 3 H SER 3 -12.747 3.155 -25.020 10 HA SER 3 HA SER 3 -11.203 1.343 -23.643 11 HB2 SER 3 1HB SER 3 -9.247 2.833 -24.292 12 HB3 SER 3 2HB SER 3 -10.304 2.338 -25.614 13 HG SER 3 HG SER 3 -10.394 4.823 -24.241 14 H GLY 4 H GLY 4 -12.272 4.489 -22.633 15 HA2 GLY 4 1HA GLY 4 -12.347 4.683 -20.137 16 HA3 GLY 4 2HA GLY 4 -10.653 4.214 -20.175 17 H SER 5 H SER 5 -9.539 5.942 -19.530 18 HA SER 5 HA SER 5 -10.008 8.474 -20.957 19 HB2 SER 5 1HB SER 5 -10.883 8.495 -18.580 20 HB3 SER 5 2HB SER 5 -9.214 8.306 -18.045 21 HG SER 5 HG SER 5 -8.813 10.253 -19.374 22 H SER 6 H SER 6 -8.203 9.662 -21.497 23 HA SER 6 HA SER 6 -5.603 8.404 -20.910 24 HB2 SER 6 1HB SER 6 -6.648 9.546 -23.497 25 HB3 SER 6 2HB SER 6 -4.921 9.352 -23.198 26 HG SER 6 HG SER 6 -5.304 7.124 -22.874 27 H GLY 7 H GLY 7 -4.204 9.680 -19.897 28 HA2 GLY 7 1HA GLY 7 -2.953 11.704 -19.702 29 HA3 GLY 7 2HA GLY 7 -4.332 12.580 -20.350 30 H ALA 8 H ALA 8 -4.083 10.249 -17.676 31 HA ALA 8 HA ALA 8 -4.969 12.376 -15.846 32 HB1 ALA 8 1HB ALA 8 -6.862 10.900 -16.498 33 HB2 ALA 8 2HB ALA 8 -5.996 9.544 -15.774 34 HB3 ALA 8 3HB ALA 8 -6.516 10.897 -14.769 35 H VAL 9 H VAL 9 -4.108 12.339 -13.802 36 HA VAL 9 HA VAL 9 -2.128 10.225 -13.249 37 HB VAL 9 HB VAL 9 -0.721 11.869 -12.129 38 HG11 VAL 9 1HG1 VAL 9 -0.678 11.426 -14.676 39 HG12 VAL 9 2HG1 VAL 9 -1.330 13.060 -14.807 40 HG13 VAL 9 3HG1 VAL 9 0.232 12.792 -14.033 41 HG21 VAL 9 1HG2 VAL 9 -2.778 13.357 -11.616 42 HG22 VAL 9 2HG2 VAL 9 -1.217 14.125 -11.908 43 HG23 VAL 9 3HG2 VAL 9 -2.434 14.086 -13.185 44 H SER 10 H SER 10 -1.614 9.973 -10.926 45 HA SER 10 HA SER 10 -4.074 10.015 -9.378 46 HB2 SER 10 1HB SER 10 -2.838 8.584 -7.792 47 HB3 SER 10 2HB SER 10 -2.762 7.945 -9.434 48 HG SER 10 HG SER 10 -0.676 8.330 -9.501 49 H GLY 11 H GLY 11 -0.703 11.102 -8.988 50 HA2 GLY 11 1HA GLY 11 -1.263 13.582 -7.904 51 HA3 GLY 11 2HA GLY 11 -1.200 12.475 -6.541 52 H LEU 12 H LEU 12 0.742 11.817 -5.770 53 HA LEU 12 HA LEU 12 3.055 13.274 -6.564 54 HB2 LEU 12 1HB LEU 12 2.846 10.886 -4.737 55 HB3 LEU 12 2HB LEU 12 4.214 11.991 -4.853 56 HG LEU 12 HG LEU 12 1.456 12.749 -3.891 57 HD11 LEU 12 1HD1 LEU 12 3.135 13.039 -1.774 58 HD12 LEU 12 2HD1 LEU 12 3.777 11.584 -2.535 59 HD13 LEU 12 3HD1 LEU 12 2.084 11.649 -2.044 60 HD21 LEU 12 1HD2 LEU 12 3.559 14.327 -4.858 61 HD22 LEU 12 2HD2 LEU 12 3.606 14.482 -3.102 62 HD23 LEU 12 3HD2 LEU 12 2.126 14.863 -3.982 63 H TYR 13 H TYR 13 2.116 9.857 -6.821 64 HA TYR 13 HA TYR 13 4.487 9.211 -8.343 65 HB2 TYR 13 1HB TYR 13 2.041 7.548 -7.706 66 HB3 TYR 13 2HB TYR 13 3.515 6.945 -8.456 67 HD1 TYR 13 2HD TYR 13 2.240 8.566 -5.359 68 HD2 TYR 13 1HD TYR 13 5.282 6.178 -7.132 69 HE1 TYR 13 2HE TYR 13 3.187 8.128 -3.132 70 HE2 TYR 13 1HE TYR 13 6.237 5.732 -4.910 71 HH TYR 13 HH TYR 13 4.753 7.073 -1.972 72 H SER 14 H SER 14 4.023 7.778 -10.384 73 HA SER 14 HA SER 14 1.803 8.632 -12.004 74 HB2 SER 14 1HB SER 14 4.538 9.782 -12.385 75 HB3 SER 14 2HB SER 14 3.556 9.441 -13.809 76 HG SER 14 HG SER 14 2.324 10.798 -11.715 77 H SER 15 H SER 15 1.350 7.165 -13.552 78 HA SER 15 HA SER 15 2.154 4.620 -13.566 79 HB2 SER 15 1HB SER 15 1.177 6.387 -15.753 80 HB3 SER 15 2HB SER 15 1.806 4.805 -16.212 81 HG SER 15 HG SER 15 0.029 4.899 -14.070 82 H SER 16 H SER 16 3.909 7.271 -15.050 83 HA SER 16 HA SER 16 5.728 6.057 -16.657 84 HB2 SER 16 1HB SER 16 7.374 7.814 -15.882 85 HB3 SER 16 2HB SER 16 5.803 8.436 -16.387 86 HG SER 16 HG SER 16 6.967 8.365 -13.869 87 H ASP 17 H ASP 17 6.053 6.403 -13.129 88 HA ASP 17 HA ASP 17 8.466 4.956 -12.923 89 HB2 ASP 17 1HB ASP 17 7.172 6.505 -11.206 90 HB3 ASP 17 2HB ASP 17 6.514 4.963 -10.663 91 H ASP 18 H ASP 18 8.260 2.991 -11.140 92 HA ASP 18 HA ASP 18 7.021 0.871 -12.679 93 HB2 ASP 18 1HB ASP 18 8.690 0.747 -10.157 94 HB3 ASP 18 2HB ASP 18 8.188 -0.638 -11.122 95 H VAL 19 H VAL 19 6.167 2.846 -10.084 96 HA VAL 19 HA VAL 19 4.625 1.017 -8.548 97 HB VAL 19 HB VAL 19 4.390 4.022 -8.763 98 HG11 VAL 19 1HG1 VAL 19 3.515 2.604 -6.328 99 HG12 VAL 19 2HG1 VAL 19 2.832 4.023 -7.126 100 HG13 VAL 19 3HG1 VAL 19 2.492 2.409 -7.751 101 HG21 VAL 19 1HG2 VAL 19 6.319 4.048 -7.655 102 HG22 VAL 19 2HG2 VAL 19 5.478 3.297 -6.299 103 HG23 VAL 19 3HG2 VAL 19 6.312 2.293 -7.484 104 H ILE 20 H ILE 20 2.656 0.219 -8.898 105 HA ILE 20 HA ILE 20 1.233 0.966 -11.305 106 HB ILE 20 HB ILE 20 0.646 -1.128 -9.212 107 HG12 ILE 20 1HG1 ILE 20 1.528 -1.464 -12.083 108 HG13 ILE 20 2HG1 ILE 20 2.645 -1.443 -10.722 109 HG21 ILE 20 1HG2 ILE 20 -1.105 -1.943 -10.640 110 HG22 ILE 20 2HG2 ILE 20 -1.404 -0.240 -10.293 111 HG23 ILE 20 3HG2 ILE 20 -0.741 -0.718 -11.855 112 HD11 ILE 20 1HD1 ILE 20 1.597 -3.414 -9.797 113 HD12 ILE 20 2HD1 ILE 20 0.401 -3.412 -11.093 114 HD13 ILE 20 3HD1 ILE 20 2.100 -3.711 -11.461 115 H GLU 21 H GLU 21 -0.372 2.386 -11.400 116 HA GLU 21 HA GLU 21 -1.278 3.802 -9.126 117 HB2 GLU 21 1HB GLU 21 -1.211 4.756 -11.409 118 HB3 GLU 21 2HB GLU 21 -2.513 3.674 -11.882 119 HG2 GLU 21 1HG GLU 21 -3.770 4.791 -9.883 120 HG3 GLU 21 2HG GLU 21 -2.588 6.076 -10.127 121 H LEU 22 H LEU 22 -2.312 2.634 -7.593 122 HA LEU 22 HA LEU 22 -4.418 0.773 -8.344 123 HB2 LEU 22 1HB LEU 22 -3.071 1.474 -5.756 124 HB3 LEU 22 2HB LEU 22 -4.534 0.492 -5.797 125 HG LEU 22 HG LEU 22 -1.885 -0.202 -7.064 126 HD11 LEU 22 1HD1 LEU 22 -3.122 -1.888 -4.983 127 HD12 LEU 22 2HD1 LEU 22 -2.463 -0.342 -4.448 128 HD13 LEU 22 3HD1 LEU 22 -1.426 -1.502 -5.278 129 HD21 LEU 22 1HD2 LEU 22 -3.075 -1.524 -8.400 130 HD22 LEU 22 2HD2 LEU 22 -4.570 -1.175 -7.532 131 HD23 LEU 22 3HD2 LEU 22 -3.498 -2.456 -6.964 132 H THR 23 H THR 23 -6.546 1.149 -8.168 133 HA THR 23 HA THR 23 -7.440 3.546 -6.720 134 HB THR 23 HB THR 23 -8.598 4.444 -8.465 135 HG1 THR 23 1HG THR 23 -8.702 2.098 -10.016 136 HG21 THR 23 1HG2 THR 23 -6.964 2.998 -10.444 137 HG22 THR 23 2HG2 THR 23 -6.063 3.737 -9.119 138 HG23 THR 23 3HG2 THR 23 -7.107 4.728 -10.138 139 HA PRO 24 HA PRO 24 -10.666 1.077 -5.061 140 HB2 PRO 24 1HB PRO 24 -12.776 2.786 -5.044 141 HB3 PRO 24 2HB PRO 24 -11.402 2.946 -3.944 142 HG2 PRO 24 1HG PRO 24 -11.968 4.408 -6.495 143 HG3 PRO 24 2HG PRO 24 -11.360 5.041 -4.954 144 HD2 PRO 24 1HD PRO 24 -9.738 4.532 -7.061 145 HD3 PRO 24 2HD PRO 24 -9.201 4.352 -5.378 146 H SER 25 H SER 25 -10.399 1.396 -8.170 147 HA SER 25 HA SER 25 -13.071 0.314 -8.787 148 HB2 SER 25 1HB SER 25 -11.335 2.232 -10.266 149 HB3 SER 25 2HB SER 25 -12.279 1.086 -11.217 150 HG SER 25 HG SER 25 -13.331 3.139 -10.709 151 H ASN 26 H ASN 26 -9.645 -0.098 -8.977 152 HA ASN 26 HA ASN 26 -10.057 -2.687 -10.321 153 HB2 ASN 26 1HB ASN 26 -7.513 -2.229 -10.975 154 HB3 ASN 26 2HB ASN 26 -8.848 -1.653 -11.969 155 HD21 ASN 26 1HD2 ASN 26 -6.224 -0.792 -9.941 156 HD22 ASN 26 2HD2 ASN 26 -6.359 0.921 -10.118 157 H PHE 27 H PHE 27 -8.897 -1.007 -7.618 158 HA PHE 27 HA PHE 27 -6.754 -2.264 -6.611 159 HB2 PHE 27 1HB PHE 27 -8.153 -0.583 -5.402 160 HB3 PHE 27 2HB PHE 27 -9.289 -1.870 -5.011 161 HD1 PHE 27 1HD PHE 27 -8.185 -3.976 -3.854 162 HD2 PHE 27 2HD PHE 27 -6.546 -0.047 -3.858 163 HE1 PHE 27 1HE PHE 27 -6.874 -4.524 -1.845 164 HE2 PHE 27 2HE PHE 27 -5.232 -0.590 -1.850 165 HZ PHE 27 HZ PHE 27 -5.394 -2.831 -0.841 166 H ASN 28 H ASN 28 -9.861 -3.724 -7.167 167 HA ASN 28 HA ASN 28 -9.186 -6.140 -5.711 168 HB2 ASN 28 1HB ASN 28 -11.523 -5.183 -5.815 169 HB3 ASN 28 2HB ASN 28 -11.570 -5.670 -7.507 170 HD21 ASN 28 1HD2 ASN 28 -11.184 -7.973 -7.948 171 HD22 ASN 28 2HD2 ASN 28 -11.786 -9.133 -6.818 172 H ARG 29 H ARG 29 -9.542 -5.075 -9.059 173 HA ARG 29 HA ARG 29 -8.947 -7.685 -10.127 174 HB2 ARG 29 1HB ARG 29 -9.477 -4.979 -11.292 175 HB3 ARG 29 2HB ARG 29 -8.741 -6.222 -12.296 176 HG2 ARG 29 1HG ARG 29 -11.313 -6.640 -10.799 177 HG3 ARG 29 2HG ARG 29 -11.242 -6.014 -12.448 178 HD2 ARG 29 1HD ARG 29 -9.754 -8.511 -11.845 179 HD3 ARG 29 2HD ARG 29 -11.513 -8.603 -11.924 180 HE ARG 29 HE ARG 29 -9.703 -8.261 -14.117 181 HH11 ARG 29 2HH1 ARG 29 -12.929 -7.615 -12.977 182 HH12 ARG 29 1HH1 ARG 29 -13.609 -7.506 -14.567 183 HH21 ARG 29 2HH2 ARG 29 -10.587 -8.119 -16.215 184 HH22 ARG 29 1HH2 ARG 29 -12.276 -7.793 -16.408 185 H GLU 30 H GLU 30 -7.103 -5.311 -8.736 186 HA GLU 30 HA GLU 30 -4.745 -5.935 -10.379 187 HB2 GLU 30 1HB GLU 30 -5.555 -3.570 -8.764 188 HB3 GLU 30 2HB GLU 30 -3.840 -3.945 -8.853 189 HG2 GLU 30 1HG GLU 30 -5.454 -3.795 -11.356 190 HG3 GLU 30 2HG GLU 30 -4.911 -2.316 -10.566 191 H VAL 31 H VAL 31 -5.861 -5.668 -7.025 192 HA VAL 31 HA VAL 31 -3.501 -7.191 -6.156 193 HB VAL 31 HB VAL 31 -5.472 -5.621 -4.488 194 HG11 VAL 31 1HG1 VAL 31 -3.461 -5.922 -2.829 195 HG12 VAL 31 2HG1 VAL 31 -4.686 -7.181 -2.998 196 HG13 VAL 31 3HG1 VAL 31 -3.133 -7.343 -3.819 197 HG21 VAL 31 1HG2 VAL 31 -3.619 -4.546 -6.115 198 HG22 VAL 31 2HG2 VAL 31 -4.102 -3.824 -4.580 199 HG23 VAL 31 3HG2 VAL 31 -2.641 -4.808 -4.670 200 H ILE 32 H ILE 32 -6.919 -6.948 -5.157 201 HA ILE 32 HA ILE 32 -7.155 -9.364 -3.881 202 HB ILE 32 HB ILE 32 -9.293 -8.107 -5.603 203 HG12 ILE 32 1HG1 ILE 32 -8.306 -6.525 -3.969 204 HG13 ILE 32 2HG1 ILE 32 -9.985 -6.907 -3.604 205 HG21 ILE 32 1HG2 ILE 32 -9.790 -10.401 -4.907 206 HG22 ILE 32 2HG2 ILE 32 -9.513 -9.949 -3.226 207 HG23 ILE 32 3HG2 ILE 32 -10.857 -9.239 -4.119 208 HD11 ILE 32 1HD1 ILE 32 -7.569 -8.078 -2.246 209 HD12 ILE 32 2HD1 ILE 32 -8.648 -6.847 -1.587 210 HD13 ILE 32 3HD1 ILE 32 -9.248 -8.478 -1.886 211 H GLN 33 H GLN 33 -7.202 -8.722 -7.328 212 HA GLN 33 HA GLN 33 -7.806 -11.519 -7.914 213 HB2 GLN 33 1HB GLN 33 -7.587 -9.050 -9.626 214 HB3 GLN 33 2HB GLN 33 -7.695 -10.661 -10.323 215 HG2 GLN 33 1HG GLN 33 -9.752 -9.045 -8.943 216 HG3 GLN 33 2HG GLN 33 -9.889 -10.103 -10.347 217 HE21 GLN 33 1HE2 GLN 33 -10.038 -9.869 -6.912 218 HE22 GLN 33 2HE2 GLN 33 -10.609 -11.471 -6.611 219 H SER 34 H SER 34 -5.282 -10.740 -6.661 220 HA SER 34 HA SER 34 -3.427 -11.630 -8.773 221 HB2 SER 34 1HB SER 34 -2.869 -9.362 -8.137 222 HB3 SER 34 2HB SER 34 -2.890 -9.794 -6.427 223 HG SER 34 HG SER 34 -0.831 -9.845 -8.019 224 H ASP 35 H ASP 35 -2.676 -13.607 -8.464 225 HA ASP 35 HA ASP 35 -2.994 -14.929 -5.916 226 HB2 ASP 35 1HB ASP 35 -3.265 -15.908 -8.340 227 HB3 ASP 35 2HB ASP 35 -1.525 -16.153 -8.221 228 H GLY 36 H GLY 36 -0.960 -12.690 -6.500 229 HA2 GLY 36 1HA GLY 36 1.381 -14.135 -5.417 230 HA3 GLY 36 2HA GLY 36 1.530 -12.786 -6.533 231 H LEU 37 H LEU 37 2.762 -11.536 -5.138 232 HA LEU 37 HA LEU 37 1.480 -10.720 -2.624 233 HB2 LEU 37 1HB LEU 37 3.937 -11.615 -2.869 234 HB3 LEU 37 2HB LEU 37 4.268 -9.954 -3.356 235 HG LEU 37 HG LEU 37 3.178 -9.276 -1.143 236 HD11 LEU 37 1HD1 LEU 37 3.135 -12.204 -0.939 237 HD12 LEU 37 2HD1 LEU 37 2.157 -10.990 -0.115 238 HD13 LEU 37 3HD1 LEU 37 3.776 -11.366 0.474 239 HD21 LEU 37 1HD2 LEU 37 5.447 -10.446 -0.048 240 HD22 LEU 37 2HD2 LEU 37 5.335 -8.855 -0.802 241 HD23 LEU 37 3HD2 LEU 37 5.829 -10.253 -1.759 242 H TRP 38 H TRP 38 0.941 -8.628 -2.226 243 HA TRP 38 HA TRP 38 1.564 -6.639 -4.302 244 HB2 TRP 38 1HB TRP 38 -1.071 -7.575 -3.381 245 HB3 TRP 38 2HB TRP 38 -0.893 -5.823 -3.429 246 HD1 TRP 38 HD TRP 38 -1.247 -8.851 -5.673 247 HE1 TRP 38 1HE TRP 38 -1.481 -8.073 -8.115 248 HE3 TRP 38 3HE TRP 38 -0.127 -3.900 -5.058 249 HZ2 TRP 38 2HZ TRP 38 -1.224 -5.677 -9.586 250 HZ3 TRP 38 3HZ TRP 38 -0.143 -2.434 -7.033 251 HH2 TRP 38 HH TRP 38 -0.680 -3.306 -9.250 252 H LEU 39 H LEU 39 2.328 -4.766 -3.544 253 HA LEU 39 HA LEU 39 2.103 -4.265 -0.650 254 HB2 LEU 39 1HB LEU 39 4.318 -3.951 -2.589 255 HB3 LEU 39 2HB LEU 39 4.173 -2.719 -1.337 256 HG LEU 39 HG LEU 39 4.413 -5.675 -0.786 257 HD11 LEU 39 1HD1 LEU 39 6.654 -3.929 -0.095 258 HD12 LEU 39 2HD1 LEU 39 6.392 -4.115 -1.829 259 HD13 LEU 39 3HD1 LEU 39 6.645 -5.538 -0.818 260 HD21 LEU 39 1HD2 LEU 39 3.574 -4.923 1.171 261 HD22 LEU 39 2HD2 LEU 39 4.052 -3.253 0.862 262 HD23 LEU 39 3HD2 LEU 39 5.243 -4.420 1.439 263 H VAL 40 H VAL 40 0.402 -2.908 -0.471 264 HA VAL 40 HA VAL 40 0.276 -0.573 -2.248 265 HB VAL 40 HB VAL 40 -1.833 -1.606 -0.347 266 HG11 VAL 40 1HG1 VAL 40 -2.201 0.700 -0.677 267 HG12 VAL 40 2HG1 VAL 40 -1.813 0.596 -2.395 268 HG13 VAL 40 3HG1 VAL 40 -3.304 -0.120 -1.781 269 HG21 VAL 40 1HG2 VAL 40 -2.225 -3.174 -1.877 270 HG22 VAL 40 2HG2 VAL 40 -2.723 -1.884 -2.971 271 HG23 VAL 40 3HG2 VAL 40 -1.059 -2.466 -2.995 272 H GLU 41 H GLU 41 0.822 1.375 -1.524 273 HA GLU 41 HA GLU 41 1.061 1.761 1.387 274 HB2 GLU 41 1HB GLU 41 3.239 1.932 0.535 275 HB3 GLU 41 2HB GLU 41 2.707 2.786 -0.906 276 HG2 GLU 41 1HG GLU 41 2.214 4.760 0.430 277 HG3 GLU 41 2HG GLU 41 2.716 3.906 1.888 278 H PHE 42 H PHE 42 -0.272 3.184 2.273 279 HA PHE 42 HA PHE 42 -1.849 4.926 0.555 280 HB2 PHE 42 1HB PHE 42 -2.048 4.371 3.523 281 HB3 PHE 42 2HB PHE 42 -3.177 5.354 2.597 282 HD1 PHE 42 1HD PHE 42 -1.931 1.945 3.167 283 HD2 PHE 42 2HD PHE 42 -4.847 4.359 1.221 284 HE1 PHE 42 1HE PHE 42 -3.242 -0.070 2.640 285 HE2 PHE 42 2HE PHE 42 -6.163 2.348 0.691 286 HZ PHE 42 HZ PHE 42 -5.361 0.131 1.401 287 H TYR 43 H TYR 43 -0.706 6.695 -0.016 288 HA TYR 43 HA TYR 43 0.617 8.228 2.120 289 HB2 TYR 43 1HB TYR 43 2.046 9.180 0.465 290 HB3 TYR 43 2HB TYR 43 2.001 7.448 0.154 291 HD1 TYR 43 1HD TYR 43 0.517 10.677 -0.944 292 HD2 TYR 43 2HD TYR 43 1.401 6.641 -1.958 293 HE1 TYR 43 1HE TYR 43 -0.161 11.119 -3.267 294 HE2 TYR 43 2HE TYR 43 0.727 7.071 -4.284 295 HH TYR 43 HH TYR 43 -1.087 9.490 -5.254 296 H ALA 44 H ALA 44 0.683 10.674 1.530 297 HA ALA 44 HA ALA 44 -1.937 11.533 0.509 298 HB1 ALA 44 1HB ALA 44 -2.353 11.673 2.784 299 HB2 ALA 44 2HB ALA 44 -0.704 12.176 3.158 300 HB3 ALA 44 3HB ALA 44 -1.817 13.307 2.389 301 HA PRO 45 HA PRO 45 0.770 14.180 -1.838 302 HB2 PRO 45 1HB PRO 45 -1.201 15.453 -3.203 303 HB3 PRO 45 2HB PRO 45 -0.659 13.819 -3.600 304 HG2 PRO 45 1HG PRO 45 -3.044 14.690 -2.015 305 HG3 PRO 45 2HG PRO 45 -2.923 13.420 -3.246 306 HD2 PRO 45 1HD PRO 45 -2.912 12.882 -0.592 307 HD3 PRO 45 2HD PRO 45 -2.016 11.900 -1.769 308 H TRP 46 H TRP 46 -1.058 14.941 0.766 309 HA TRP 46 HA TRP 46 -0.521 17.827 0.504 310 HB2 TRP 46 1HB TRP 46 -2.338 18.134 2.203 311 HB3 TRP 46 2HB TRP 46 -2.894 17.477 0.666 312 HD1 TRP 46 HD TRP 46 -4.338 15.360 0.808 313 HE1 TRP 46 1HE TRP 46 -4.890 13.635 2.637 314 HE3 TRP 46 3HE TRP 46 -1.104 16.956 4.431 315 HZ2 TRP 46 2HZ TRP 46 -4.064 13.031 5.268 316 HZ3 TRP 46 3HZ TRP 46 -1.047 15.751 6.576 317 HH2 TRP 46 HH TRP 46 -2.498 13.829 6.983 318 H CYS 47 H CYS 47 0.115 14.958 2.246 319 HA CYS 47 HA CYS 47 0.967 16.251 4.677 320 HB2 CYS 47 1HB CYS 47 0.116 13.758 4.198 321 HB3 CYS 47 2HB CYS 47 1.847 13.483 4.041 322 HG CYS 47 HG CYS 47 2.510 14.180 6.593 323 H GLY 48 H GLY 48 3.265 15.538 5.487 324 HA2 GLY 48 1HA GLY 48 5.139 16.528 3.460 325 HA3 GLY 48 2HA GLY 48 5.411 16.512 5.196 326 H HIS 49 H HIS 49 5.541 14.267 6.178 327 HA HIS 49 HA HIS 49 7.708 12.893 5.235 328 HB2 HIS 49 1HB HIS 49 6.659 10.890 6.532 329 HB3 HIS 49 2HB HIS 49 7.106 12.348 7.414 330 HD1 HIS 49 1HD HIS 49 5.383 12.960 9.060 331 HD2 HIS 49 2HD HIS 49 3.716 11.215 5.679 332 HE1 HIS 49 1HE HIS 49 2.903 12.919 9.478 333 HE2 HIS 49 2HE HIS 49 1.924 11.781 7.456 334 H CYS 50 H CYS 50 4.382 12.584 4.234 335 HA CYS 50 HA CYS 50 4.605 10.107 2.888 336 HB2 CYS 50 1HB CYS 50 2.695 12.424 2.594 337 HB3 CYS 50 2HB CYS 50 2.554 10.957 1.633 338 HG CYS 50 HG CYS 50 1.032 11.455 4.301 339 H GLN 51 H GLN 51 4.682 13.452 1.661 340 HA GLN 51 HA GLN 51 5.195 12.825 -1.012 341 HB2 GLN 51 1HB GLN 51 6.105 15.276 0.505 342 HB3 GLN 51 2HB GLN 51 5.960 15.133 -1.242 343 HG2 GLN 51 1HG GLN 51 3.601 15.005 -1.128 344 HG3 GLN 51 2HG GLN 51 3.630 14.792 0.621 345 HE21 GLN 51 1HE2 GLN 51 2.036 16.617 0.283 346 HE22 GLN 51 2HE2 GLN 51 2.676 18.220 0.349 347 H ARG 52 H ARG 52 7.216 12.606 1.731 348 HA ARG 52 HA ARG 52 9.684 12.718 0.194 349 HB2 ARG 52 1HB ARG 52 9.247 12.117 3.125 350 HB3 ARG 52 2HB ARG 52 10.801 12.392 2.349 351 HG2 ARG 52 1HG ARG 52 8.736 14.508 2.103 352 HG3 ARG 52 2HG ARG 52 9.532 14.297 3.665 353 HD2 ARG 52 1HD ARG 52 10.837 15.885 2.539 354 HD3 ARG 52 2HD ARG 52 11.725 14.371 2.368 355 HE ARG 52 HE ARG 52 11.320 14.414 0.101 356 HH11 ARG 52 2HH1 ARG 52 9.397 16.839 1.696 357 HH12 ARG 52 1HH1 ARG 52 8.908 17.607 0.221 358 HH21 ARG 52 2HH2 ARG 52 10.683 15.416 -1.846 359 HH22 ARG 52 1HH2 ARG 52 9.639 16.796 -1.793 360 H LEU 53 H LEU 53 7.358 10.431 1.009 361 HA LEU 53 HA LEU 53 9.217 8.182 1.010 362 HB2 LEU 53 1HB LEU 53 7.326 8.258 2.608 363 HB3 LEU 53 2HB LEU 53 6.212 8.192 1.245 364 HG LEU 53 HG LEU 53 7.041 5.961 0.675 365 HD11 LEU 53 1HD1 LEU 53 9.039 5.309 1.375 366 HD12 LEU 53 2HD1 LEU 53 8.400 5.209 3.015 367 HD13 LEU 53 3HD1 LEU 53 9.158 6.699 2.455 368 HD21 LEU 53 1HD2 LEU 53 5.145 6.302 2.264 369 HD22 LEU 53 2HD2 LEU 53 6.291 6.109 3.591 370 HD23 LEU 53 3HD2 LEU 53 6.003 4.775 2.472 371 H THR 54 H THR 54 8.000 10.055 -1.298 372 HA THR 54 HA THR 54 6.818 8.256 -3.132 373 HB THR 54 HB THR 54 8.346 10.547 -4.229 374 HG1 THR 54 1HG THR 54 7.399 12.019 -3.033 375 HG21 THR 54 1HG2 THR 54 6.252 8.921 -5.053 376 HG22 THR 54 2HG2 THR 54 6.793 10.409 -5.832 377 HG23 THR 54 3HG2 THR 54 5.477 10.455 -4.659 378 HA PRO 55 HA PRO 55 11.256 8.039 -5.074 379 HB2 PRO 55 1HB PRO 55 13.311 8.826 -3.484 380 HB3 PRO 55 2HB PRO 55 12.462 9.929 -4.572 381 HG2 PRO 55 1HG PRO 55 12.110 9.530 -1.627 382 HG3 PRO 55 2HG PRO 55 12.162 11.042 -2.552 383 HD2 PRO 55 1HD PRO 55 9.841 9.922 -1.721 384 HD3 PRO 55 2HD PRO 55 9.967 10.850 -3.229 385 H GLU 56 H GLU 56 10.811 7.456 -1.639 386 HA GLU 56 HA GLU 56 12.663 5.270 -1.513 387 HB2 GLU 56 1HB GLU 56 10.507 6.224 0.374 388 HB3 GLU 56 2HB GLU 56 11.559 4.859 0.720 389 HG2 GLU 56 1HG GLU 56 13.494 6.264 0.712 390 HG3 GLU 56 2HG GLU 56 12.548 7.641 0.150 391 H TRP 57 H TRP 57 9.169 5.610 -1.868 392 HA TRP 57 HA TRP 57 8.646 2.801 -1.743 393 HB2 TRP 57 1HB TRP 57 7.001 4.682 -1.233 394 HB3 TRP 57 2HB TRP 57 6.851 4.890 -2.975 395 HD1 TRP 57 HD TRP 57 4.709 3.779 -3.797 396 HE1 TRP 57 1HE TRP 57 3.413 1.622 -3.256 397 HE3 TRP 57 3HE TRP 57 7.685 1.960 -0.059 398 HZ2 TRP 57 2HZ TRP 57 3.625 -0.562 -1.479 399 HZ3 TRP 57 3HZ TRP 57 7.068 -0.169 1.009 400 HH2 TRP 57 HH TRP 57 5.079 -1.402 0.313 401 H LYS 58 H LYS 58 8.983 5.167 -4.356 402 HA LYS 58 HA LYS 58 8.288 3.556 -6.510 403 HB2 LYS 58 1HB LYS 58 10.133 5.903 -6.213 404 HB3 LYS 58 2HB LYS 58 10.010 5.067 -7.755 405 HG2 LYS 58 1HG LYS 58 7.638 5.536 -7.857 406 HG3 LYS 58 2HG LYS 58 7.699 6.297 -6.266 407 HD2 LYS 58 1HD LYS 58 9.339 7.937 -7.210 408 HD3 LYS 58 2HD LYS 58 9.032 7.240 -8.802 409 HE2 LYS 58 1HE LYS 58 6.635 7.788 -8.532 410 HE3 LYS 58 2HE LYS 58 7.012 8.567 -6.996 411 HZ1 LYS 58 1HZ LYS 58 8.728 9.615 -8.931 412 HZ2 LYS 58 2HZ LYS 58 7.484 10.407 -8.103 413 HZ3 LYS 58 3HZ LYS 58 7.166 9.647 -9.580 414 H LYS 59 H LYS 59 11.523 4.110 -5.127 415 HA LYS 59 HA LYS 59 13.044 2.536 -6.775 416 HB2 LYS 59 1HB LYS 59 13.226 3.203 -3.865 417 HB3 LYS 59 2HB LYS 59 14.345 2.027 -4.541 418 HG2 LYS 59 1HG LYS 59 14.993 3.735 -6.242 419 HG3 LYS 59 2HG LYS 59 14.004 4.901 -5.360 420 HD2 LYS 59 1HD LYS 59 16.032 3.343 -3.841 421 HD3 LYS 59 2HD LYS 59 16.597 4.641 -4.896 422 HE2 LYS 59 1HE LYS 59 15.219 6.243 -3.742 423 HE3 LYS 59 2HE LYS 59 14.479 4.968 -2.775 424 HZ1 LYS 59 1HZ LYS 59 16.931 4.529 -2.081 425 HZ2 LYS 59 2HZ LYS 59 16.053 5.772 -1.344 426 HZ3 LYS 59 3HZ LYS 59 17.166 6.133 -2.566 427 H ALA 60 H ALA 60 11.366 1.458 -3.822 428 HA ALA 60 HA ALA 60 12.063 -1.237 -3.961 429 HB1 ALA 60 1HB ALA 60 10.843 0.115 -2.106 430 HB2 ALA 60 2HB ALA 60 9.380 -0.411 -2.940 431 HB3 ALA 60 3HB ALA 60 10.507 -1.606 -2.297 432 H ALA 61 H ALA 61 9.464 0.537 -5.536 433 HA ALA 61 HA ALA 61 8.034 -1.695 -6.510 434 HB1 ALA 61 1HB ALA 61 6.742 0.166 -6.667 435 HB2 ALA 61 2HB ALA 61 8.098 1.209 -7.098 436 HB3 ALA 61 3HB ALA 61 7.379 0.149 -8.312 437 H THR 62 H THR 62 10.748 0.151 -7.785 438 HA THR 62 HA THR 62 10.756 -0.930 -10.387 439 HB THR 62 HB THR 62 13.095 0.125 -8.786 440 HG1 THR 62 1HG THR 62 12.601 2.039 -10.103 441 HG21 THR 62 1HG2 THR 62 13.469 -1.301 -10.938 442 HG22 THR 62 2HG2 THR 62 14.335 0.222 -10.741 443 HG23 THR 62 3HG2 THR 62 12.907 0.146 -11.772 444 H ALA 63 H ALA 63 12.358 -1.943 -7.398 445 HA ALA 63 HA ALA 63 13.758 -4.117 -8.628 446 HB1 ALA 63 1HB ALA 63 13.486 -3.002 -5.923 447 HB2 ALA 63 2HB ALA 63 13.780 -4.740 -5.994 448 HB3 ALA 63 3HB ALA 63 14.909 -3.623 -6.761 449 H LEU 64 H LEU 64 10.873 -3.859 -6.568 450 HA LEU 64 HA LEU 64 10.323 -6.692 -6.857 451 HB2 LEU 64 1HB LEU 64 8.516 -4.651 -5.601 452 HB3 LEU 64 2HB LEU 64 8.591 -6.385 -5.293 453 HG LEU 64 HG LEU 64 10.933 -4.654 -4.613 454 HD11 LEU 64 1HD1 LEU 64 9.071 -3.493 -3.609 455 HD12 LEU 64 2HD1 LEU 64 9.981 -4.343 -2.361 456 HD13 LEU 64 3HD1 LEU 64 8.451 -5.001 -2.938 457 HD21 LEU 64 1HD2 LEU 64 9.844 -7.318 -3.827 458 HD22 LEU 64 2HD2 LEU 64 10.864 -6.430 -2.695 459 HD23 LEU 64 3HD2 LEU 64 11.484 -6.863 -4.289 460 H LYS 65 H LYS 65 10.084 -4.376 -8.985 461 HA LYS 65 HA LYS 65 7.495 -4.067 -9.843 462 HB2 LYS 65 1HB LYS 65 8.955 -2.845 -11.121 463 HB3 LYS 65 2HB LYS 65 10.134 -4.146 -11.213 464 HG2 LYS 65 1HG LYS 65 8.595 -5.327 -12.783 465 HG3 LYS 65 2HG LYS 65 7.585 -3.879 -12.787 466 HD2 LYS 65 1HD LYS 65 8.898 -3.505 -14.638 467 HD3 LYS 65 2HD LYS 65 9.837 -2.682 -13.390 468 HE2 LYS 65 1HE LYS 65 11.486 -4.263 -13.396 469 HE3 LYS 65 2HE LYS 65 10.391 -5.560 -13.875 470 HZ1 LYS 65 1HZ LYS 65 11.411 -3.404 -15.646 471 HZ2 LYS 65 2HZ LYS 65 10.338 -4.626 -16.111 472 HZ3 LYS 65 3HZ LYS 65 11.919 -5.018 -15.654 473 H ASP 66 H ASP 66 9.688 -6.766 -10.549 474 HA ASP 66 HA ASP 66 7.466 -8.219 -11.795 475 HB2 ASP 66 1HB ASP 66 10.450 -8.499 -11.898 476 HB3 ASP 66 2HB ASP 66 9.425 -9.872 -12.304 477 H VAL 67 H VAL 67 9.298 -8.047 -8.918 478 HA VAL 67 HA VAL 67 8.820 -10.780 -8.102 479 HB VAL 67 HB VAL 67 9.654 -8.644 -6.182 480 HG11 VAL 67 1HG1 VAL 67 9.385 -10.824 -5.262 481 HG12 VAL 67 2HG1 VAL 67 10.315 -11.557 -6.570 482 HG13 VAL 67 3HG1 VAL 67 11.117 -10.521 -5.390 483 HG21 VAL 67 1HG2 VAL 67 12.011 -8.989 -6.930 484 HG22 VAL 67 2HG2 VAL 67 11.384 -9.820 -8.354 485 HG23 VAL 67 3HG2 VAL 67 11.005 -8.118 -8.088 486 H VAL 68 H VAL 68 7.961 -7.665 -6.586 487 HA VAL 68 HA VAL 68 5.367 -8.851 -5.842 488 HB VAL 68 HB VAL 68 7.037 -6.974 -4.163 489 HG11 VAL 68 1HG1 VAL 68 4.922 -6.366 -3.548 490 HG12 VAL 68 2HG1 VAL 68 4.230 -7.936 -3.962 491 HG13 VAL 68 3HG1 VAL 68 5.159 -7.745 -2.475 492 HG21 VAL 68 1HG2 VAL 68 7.981 -9.162 -4.069 493 HG22 VAL 68 2HG2 VAL 68 7.066 -8.919 -2.581 494 HG23 VAL 68 3HG2 VAL 68 6.392 -9.904 -3.879 495 H LYS 69 H LYS 69 3.672 -7.770 -6.585 496 HA LYS 69 HA LYS 69 3.878 -5.433 -8.120 497 HB2 LYS 69 1HB LYS 69 1.516 -6.782 -6.816 498 HB3 LYS 69 2HB LYS 69 1.348 -5.363 -7.841 499 HG2 LYS 69 1HG LYS 69 2.784 -7.783 -8.845 500 HG3 LYS 69 2HG LYS 69 1.021 -7.715 -8.858 501 HD2 LYS 69 1HD LYS 69 0.982 -5.926 -10.355 502 HD3 LYS 69 2HD LYS 69 2.658 -5.487 -10.019 503 HE2 LYS 69 1HE LYS 69 3.309 -7.703 -11.047 504 HE3 LYS 69 2HE LYS 69 1.637 -7.844 -11.590 505 HZ1 LYS 69 1HZ LYS 69 3.199 -5.428 -12.223 506 HZ2 LYS 69 2HZ LYS 69 1.868 -6.081 -13.037 507 HZ3 LYS 69 3HZ LYS 69 3.383 -6.824 -13.160 508 H VAL 70 H VAL 70 4.786 -3.691 -7.131 509 HA VAL 70 HA VAL 70 3.745 -2.797 -4.555 510 HB VAL 70 HB VAL 70 6.018 -1.720 -6.229 511 HG11 VAL 70 1HG1 VAL 70 4.879 -0.022 -4.798 512 HG12 VAL 70 2HG1 VAL 70 5.290 -1.007 -3.393 513 HG13 VAL 70 3HG1 VAL 70 6.569 -0.302 -4.382 514 HG21 VAL 70 1HG2 VAL 70 7.344 -2.637 -4.237 515 HG22 VAL 70 2HG2 VAL 70 5.892 -3.567 -3.866 516 HG23 VAL 70 3HG2 VAL 70 6.716 -3.797 -5.408 517 H GLY 71 H GLY 71 1.739 -1.937 -4.971 518 HA2 GLY 71 1HA GLY 71 1.452 0.046 -7.093 519 HA3 GLY 71 2HA GLY 71 0.158 -0.617 -6.105 520 H ALA 72 H ALA 72 -0.393 1.760 -6.137 521 HA ALA 72 HA ALA 72 0.496 2.913 -3.636 522 HB1 ALA 72 1HB ALA 72 2.183 3.820 -5.077 523 HB2 ALA 72 2HB ALA 72 0.970 4.333 -6.252 524 HB3 ALA 72 3HB ALA 72 1.048 5.107 -4.669 525 H VAL 73 H VAL 73 -1.225 3.714 -2.634 526 HA VAL 73 HA VAL 73 -3.496 4.647 -4.267 527 HB VAL 73 HB VAL 73 -3.448 2.909 -1.839 528 HG11 VAL 73 1HG1 VAL 73 -5.889 3.445 -1.526 529 HG12 VAL 73 2HG1 VAL 73 -4.764 4.705 -1.015 530 HG13 VAL 73 3HG1 VAL 73 -5.629 4.860 -2.545 531 HG21 VAL 73 1HG2 VAL 73 -3.771 1.799 -3.921 532 HG22 VAL 73 2HG2 VAL 73 -5.333 1.832 -3.103 533 HG23 VAL 73 3HG2 VAL 73 -5.002 2.959 -4.419 534 H ASN 74 H ASN 74 -4.007 6.710 -3.985 535 HA ASN 74 HA ASN 74 -2.715 8.308 -2.002 536 HB2 ASN 74 1HB ASN 74 -3.198 9.262 -4.176 537 HB3 ASN 74 2HB ASN 74 -4.920 8.957 -3.969 538 HD21 ASN 74 1HD2 ASN 74 -4.847 11.321 -4.526 539 HD22 ASN 74 2HD2 ASN 74 -4.750 12.430 -3.205 540 H ALA 75 H ALA 75 -3.373 7.484 -0.001 541 HA ALA 75 HA ALA 75 -5.827 6.834 0.944 542 HB1 ALA 75 1HB ALA 75 -4.580 8.488 2.923 543 HB2 ALA 75 2HB ALA 75 -4.724 6.730 2.866 544 HB3 ALA 75 3HB ALA 75 -3.357 7.529 2.088 545 H ASP 76 H ASP 76 -4.580 10.105 0.475 546 HA ASP 76 HA ASP 76 -6.681 11.504 1.700 547 HB2 ASP 76 1HB ASP 76 -4.551 12.563 1.095 548 HB3 ASP 76 2HB ASP 76 -4.928 12.360 -0.613 549 H LYS 77 H LYS 77 -6.213 10.528 -1.682 550 HA LYS 77 HA LYS 77 -8.773 11.573 -2.486 551 HB2 LYS 77 1HB LYS 77 -7.086 11.628 -4.150 552 HB3 LYS 77 2HB LYS 77 -6.655 9.945 -3.880 553 HG2 LYS 77 1HG LYS 77 -9.086 9.469 -4.658 554 HG3 LYS 77 2HG LYS 77 -8.985 11.088 -5.353 555 HD2 LYS 77 1HD LYS 77 -6.839 9.058 -5.862 556 HD3 LYS 77 2HD LYS 77 -8.325 9.064 -6.816 557 HE2 LYS 77 1HE LYS 77 -7.903 11.281 -7.590 558 HE3 LYS 77 2HE LYS 77 -6.564 11.483 -6.461 559 HZ1 LYS 77 1HZ LYS 77 -6.438 10.563 -9.066 560 HZ2 LYS 77 2HZ LYS 77 -6.132 9.214 -8.093 561 HZ3 LYS 77 3HZ LYS 77 -5.182 10.605 -7.933 562 H HIS 78 H HIS 78 -7.390 8.281 -2.459 563 HA HIS 78 HA HIS 78 -10.020 7.105 -2.648 564 HB2 HIS 78 1HB HIS 78 -7.355 5.748 -2.190 565 HB3 HIS 78 2HB HIS 78 -8.855 4.971 -2.688 566 HD1 HIS 78 1HD HIS 78 -9.718 6.843 -4.951 567 HD2 HIS 78 2HD HIS 78 -5.825 5.493 -4.420 568 HE1 HIS 78 1HE HIS 78 -8.630 7.023 -7.211 569 HE2 HIS 78 2HE HIS 78 -6.301 6.121 -6.884 570 H GLN 79 H GLN 79 -9.756 8.694 -0.357 571 HA GLN 79 HA GLN 79 -8.992 7.635 2.011 572 HB2 GLN 79 1HB GLN 79 -11.323 9.303 1.209 573 HB3 GLN 79 2HB GLN 79 -11.320 8.638 2.837 574 HG2 GLN 79 1HG GLN 79 -9.007 10.195 1.729 575 HG3 GLN 79 2HG GLN 79 -10.368 10.961 2.546 576 HE21 GLN 79 1HE2 GLN 79 -7.986 11.382 3.618 577 HE22 GLN 79 2HE2 GLN 79 -7.768 10.467 5.067 578 H SER 80 H SER 80 -11.879 6.738 0.182 579 HA SER 80 HA SER 80 -13.140 5.106 2.026 580 HB2 SER 80 1HB SER 80 -12.971 4.922 -0.982 581 HB3 SER 80 2HB SER 80 -13.989 3.848 -0.023 582 HG SER 80 HG SER 80 -14.961 5.806 0.836 583 H LEU 81 H LEU 81 -10.609 4.241 -0.311 584 HA LEU 81 HA LEU 81 -10.463 1.516 0.250 585 HB2 LEU 81 1HB LEU 81 -8.391 3.479 -0.689 586 HB3 LEU 81 2HB LEU 81 -8.057 1.756 -0.528 587 HG LEU 81 HG LEU 81 -10.141 2.969 -2.343 588 HD11 LEU 81 1HD1 LEU 81 -8.643 3.018 -4.007 589 HD12 LEU 81 2HD1 LEU 81 -7.869 1.520 -3.490 590 HD13 LEU 81 3HD1 LEU 81 -7.447 3.045 -2.711 591 HD21 LEU 81 1HD2 LEU 81 -9.782 0.498 -3.275 592 HD22 LEU 81 2HD2 LEU 81 -10.991 0.885 -2.049 593 HD23 LEU 81 3HD2 LEU 81 -9.438 0.198 -1.571 594 H GLY 82 H GLY 82 -8.066 3.917 1.359 595 HA2 GLY 82 1HA GLY 82 -6.741 2.442 3.218 596 HA3 GLY 82 2HA GLY 82 -7.046 4.161 3.415 597 H GLY 83 H GLY 83 -9.457 4.575 4.131 598 HA2 GLY 83 1HA GLY 83 -9.725 3.725 6.747 599 HA3 GLY 83 2HA GLY 83 -11.047 4.356 5.775 600 H GLN 84 H GLN 84 -11.214 2.338 3.844 601 HA GLN 84 HA GLN 84 -12.930 0.523 5.029 602 HB2 GLN 84 1HB GLN 84 -12.870 0.951 2.616 603 HB3 GLN 84 2HB GLN 84 -11.307 0.153 2.505 604 HG2 GLN 84 1HG GLN 84 -12.212 -1.951 2.860 605 HG3 GLN 84 2HG GLN 84 -13.684 -1.304 3.582 606 HE21 GLN 84 1HE2 GLN 84 -11.894 -1.524 0.551 607 HE22 GLN 84 2HE2 GLN 84 -13.280 -1.491 -0.479 608 H TYR 85 H TYR 85 -9.526 0.576 5.098 609 HA TYR 85 HA TYR 85 -9.412 -2.245 5.923 610 HB2 TYR 85 1HB TYR 85 -7.350 -0.368 4.798 611 HB3 TYR 85 2HB TYR 85 -6.870 -1.816 5.675 612 HD1 TYR 85 1HD TYR 85 -9.114 -0.781 2.872 613 HD2 TYR 85 2HD TYR 85 -6.546 -3.768 4.480 614 HE1 TYR 85 1HE TYR 85 -9.376 -2.106 0.816 615 HE2 TYR 85 2HE TYR 85 -6.800 -5.100 2.428 616 HH TYR 85 HH TYR 85 -8.683 -3.896 -0.322 617 H GLY 86 H GLY 86 -8.540 1.041 6.870 618 HA2 GLY 86 1HA GLY 86 -9.009 1.145 9.443 619 HA3 GLY 86 2HA GLY 86 -7.620 0.069 9.479 620 H VAL 87 H VAL 87 -6.634 1.662 7.027 621 HA VAL 87 HA VAL 87 -4.620 3.090 8.035 622 HB VAL 87 HB VAL 87 -6.322 4.127 5.764 623 HG11 VAL 87 1HG1 VAL 87 -3.385 4.452 5.801 624 HG12 VAL 87 2HG1 VAL 87 -4.642 5.539 5.207 625 HG13 VAL 87 3HG1 VAL 87 -4.303 5.440 6.935 626 HG21 VAL 87 1HG2 VAL 87 -4.419 1.865 5.977 627 HG22 VAL 87 2HG2 VAL 87 -5.849 2.051 4.961 628 HG23 VAL 87 3HG2 VAL 87 -4.342 2.854 4.518 629 H GLN 88 H GLN 88 -4.401 4.637 9.499 630 HA GLN 88 HA GLN 88 -6.494 6.696 9.705 631 HB2 GLN 88 1HB GLN 88 -6.297 6.691 12.115 632 HB3 GLN 88 2HB GLN 88 -6.677 5.066 11.561 633 HG2 GLN 88 1HG GLN 88 -4.461 4.323 11.930 634 HG3 GLN 88 2HG GLN 88 -3.880 5.970 12.175 635 HE21 GLN 88 1HE2 GLN 88 -3.510 6.466 14.202 636 HE22 GLN 88 2HE2 GLN 88 -4.328 5.822 15.581 637 H GLY 89 H GLY 89 -3.122 5.841 9.860 638 HA2 GLY 89 1HA GLY 89 -2.456 8.701 9.723 639 HA3 GLY 89 2HA GLY 89 -1.639 7.691 10.906 640 H PHE 90 H PHE 90 -1.375 9.016 7.903 641 HA PHE 90 HA PHE 90 0.166 6.833 6.736 642 HB2 PHE 90 1HB PHE 90 0.100 9.430 5.340 643 HB3 PHE 90 2HB PHE 90 -0.195 7.808 4.721 644 HD1 PHE 90 2HD PHE 90 -2.417 6.922 6.424 645 HD2 PHE 90 1HD PHE 90 -1.688 10.691 4.586 646 HE1 PHE 90 2HE PHE 90 -4.836 7.373 6.398 647 HE2 PHE 90 1HE PHE 90 -4.106 11.149 4.558 648 HZ PHE 90 HZ PHE 90 -5.683 9.488 5.464 649 HA PRO 91 HA PRO 91 1.620 7.183 4.752 650 HB2 PRO 91 1HB PRO 91 3.946 5.790 4.611 651 HB3 PRO 91 2HB PRO 91 3.773 7.437 3.992 652 HG2 PRO 91 1HG PRO 91 4.938 6.500 6.586 653 HG3 PRO 91 2HG PRO 91 5.539 7.743 5.474 654 HD2 PRO 91 1HD PRO 91 4.178 8.347 7.735 655 HD3 PRO 91 2HD PRO 91 4.076 9.338 6.266 656 H THR 92 H THR 92 0.874 5.108 4.497 657 HA THR 92 HA THR 92 1.309 3.220 6.708 658 HB THR 92 HB THR 92 -1.356 3.926 5.471 659 HG1 THR 92 1HG THR 92 -1.588 5.039 7.249 660 HG21 THR 92 1HG2 THR 92 -1.537 2.077 7.656 661 HG22 THR 92 2HG2 THR 92 -0.496 1.408 6.399 662 HG23 THR 92 3HG2 THR 92 -2.141 1.911 6.008 663 H ILE 93 H ILE 93 2.484 1.686 5.715 664 HA ILE 93 HA ILE 93 1.758 0.821 3.021 665 HB ILE 93 HB ILE 93 4.108 0.036 4.749 666 HG12 ILE 93 1HG1 ILE 93 4.276 1.638 2.222 667 HG13 ILE 93 2HG1 ILE 93 3.852 2.440 3.730 668 HG21 ILE 93 1HG2 ILE 93 3.061 -1.013 2.229 669 HG22 ILE 93 2HG2 ILE 93 4.770 -0.584 2.175 670 HG23 ILE 93 3HG2 ILE 93 4.188 -1.734 3.379 671 HD11 ILE 93 1HD1 ILE 93 6.206 2.649 3.353 672 HD12 ILE 93 2HD1 ILE 93 5.941 1.569 4.722 673 HD13 ILE 93 3HD1 ILE 93 6.370 0.905 3.146 674 H LYS 94 H LYS 94 0.723 -1.023 2.595 675 HA LYS 94 HA LYS 94 0.375 -2.959 4.791 676 HB2 LYS 94 1HB LYS 94 -1.584 -1.966 2.736 677 HB3 LYS 94 2HB LYS 94 -1.817 -3.509 3.546 678 HG2 LYS 94 1HG LYS 94 -1.351 -1.050 5.168 679 HG3 LYS 94 2HG LYS 94 -2.944 -1.358 4.473 680 HD2 LYS 94 1HD LYS 94 -2.889 -3.613 5.553 681 HD3 LYS 94 2HD LYS 94 -1.401 -3.126 6.368 682 HE2 LYS 94 1HE LYS 94 -2.687 -1.163 7.288 683 HE3 LYS 94 2HE LYS 94 -4.147 -1.923 6.657 684 HZ1 LYS 94 1HZ LYS 94 -2.332 -2.938 8.765 685 HZ2 LYS 94 2HZ LYS 94 -3.472 -3.926 8.001 686 HZ3 LYS 94 3HZ LYS 94 -3.981 -2.580 8.890 687 H ILE 95 H ILE 95 0.525 -5.129 4.314 688 HA ILE 95 HA ILE 95 1.636 -5.752 1.664 689 HB ILE 95 HB ILE 95 1.906 -7.267 4.263 690 HG12 ILE 95 1HG1 ILE 95 4.204 -6.077 2.774 691 HG13 ILE 95 2HG1 ILE 95 3.180 -5.002 3.719 692 HG21 ILE 95 1HG2 ILE 95 2.160 -8.997 2.832 693 HG22 ILE 95 2HG2 ILE 95 2.546 -7.951 1.466 694 HG23 ILE 95 3HG2 ILE 95 3.783 -8.328 2.664 695 HD11 ILE 95 1HD1 ILE 95 3.601 -6.852 5.567 696 HD12 ILE 95 2HD1 ILE 95 5.059 -7.103 4.607 697 HD13 ILE 95 3HD1 ILE 95 4.718 -5.516 5.294 698 H PHE 96 H PHE 96 0.648 -7.155 0.340 699 HA PHE 96 HA PHE 96 -1.712 -8.580 1.381 700 HB2 PHE 96 1HB PHE 96 -1.228 -7.234 -1.266 701 HB3 PHE 96 2HB PHE 96 -2.459 -8.480 -1.089 702 HD1 PHE 96 1HD PHE 96 -1.364 -5.214 0.295 703 HD2 PHE 96 2HD PHE 96 -4.578 -7.936 -0.313 704 HE1 PHE 96 1HE PHE 96 -2.948 -3.523 1.123 705 HE2 PHE 96 2HE PHE 96 -6.167 -6.250 0.514 706 HZ PHE 96 HZ PHE 96 -5.353 -4.039 1.232 707 H GLY 97 H GLY 97 -1.660 -10.728 1.283 708 HA2 GLY 97 1HA GLY 97 -0.413 -12.139 -0.884 709 HA3 GLY 97 2HA GLY 97 0.509 -12.252 0.608 710 H ALA 98 H ALA 98 -0.210 -13.545 2.257 711 HA ALA 98 HA ALA 98 -1.497 -15.849 1.854 712 HB1 ALA 98 1HB ALA 98 -1.420 -16.135 4.078 713 HB2 ALA 98 2HB ALA 98 -0.595 -14.575 4.078 714 HB3 ALA 98 3HB ALA 98 -2.327 -14.657 4.402 715 H ASN 99 H ASN 99 -3.253 -13.041 3.195 716 HA ASN 99 HA ASN 99 -5.673 -14.042 1.846 717 HB2 ASN 99 1HB ASN 99 -5.674 -14.348 4.354 718 HB3 ASN 99 2HB ASN 99 -5.643 -12.593 4.498 719 HD21 ASN 99 1HD2 ASN 99 -7.591 -12.108 5.259 720 HD22 ASN 99 2HD2 ASN 99 -9.090 -12.565 4.531 721 H LYS 100 H LYS 100 -6.112 -12.699 0.229 722 HA LYS 100 HA LYS 100 -5.218 -10.017 0.089 723 HB2 LYS 100 1HB LYS 100 -7.179 -11.640 -1.513 724 HB3 LYS 100 2HB LYS 100 -6.933 -9.929 -1.840 725 HG2 LYS 100 1HG LYS 100 -4.812 -12.065 -1.930 726 HG3 LYS 100 2HG LYS 100 -5.597 -11.317 -3.323 727 HD2 LYS 100 1HD LYS 100 -4.734 -9.106 -2.484 728 HD3 LYS 100 2HD LYS 100 -3.778 -10.010 -1.308 729 HE2 LYS 100 1HE LYS 100 -3.633 -10.449 -4.285 730 HE3 LYS 100 2HE LYS 100 -2.556 -9.369 -3.401 731 HZ1 LYS 100 1HZ LYS 100 -2.827 -12.145 -2.492 732 HZ2 LYS 100 2HZ LYS 100 -1.499 -11.103 -2.385 733 HZ3 LYS 100 3HZ LYS 100 -1.885 -11.831 -3.862 734 H ASN 101 H ASN 101 -7.949 -11.480 1.552 735 HA ASN 101 HA ASN 101 -9.640 -9.158 1.501 736 HB2 ASN 101 1HB ASN 101 -9.756 -11.806 2.930 737 HB3 ASN 101 2HB ASN 101 -10.905 -10.520 3.291 738 HD21 ASN 101 1HD2 ASN 101 -9.564 -12.377 0.597 739 HD22 ASN 101 2HD2 ASN 101 -11.019 -12.408 -0.334 740 H LYS 102 H LYS 102 -7.223 -10.487 3.633 741 HA LYS 102 HA LYS 102 -7.476 -8.102 5.327 742 HB2 LYS 102 1HB LYS 102 -6.885 -10.832 6.462 743 HB3 LYS 102 2HB LYS 102 -7.243 -9.352 7.341 744 HG2 LYS 102 1HG LYS 102 -9.533 -9.398 6.431 745 HG3 LYS 102 2HG LYS 102 -9.160 -10.930 5.637 746 HD2 LYS 102 1HD LYS 102 -8.647 -10.709 8.557 747 HD3 LYS 102 2HD LYS 102 -10.323 -10.831 8.018 748 HE2 LYS 102 1HE LYS 102 -8.343 -12.731 6.878 749 HE3 LYS 102 2HE LYS 102 -8.856 -12.975 8.546 750 HZ1 LYS 102 1HZ LYS 102 -10.890 -13.625 7.911 751 HZ2 LYS 102 2HZ LYS 102 -10.159 -13.933 6.418 752 HZ3 LYS 102 3HZ LYS 102 -11.000 -12.486 6.664 753 HA PRO 103 HA PRO 103 -3.151 -8.315 3.957 754 HB2 PRO 103 1HB PRO 103 -2.695 -5.662 4.308 755 HB3 PRO 103 2HB PRO 103 -3.476 -6.319 2.865 756 HG2 PRO 103 1HG PRO 103 -4.713 -5.051 5.279 757 HG3 PRO 103 2HG PRO 103 -5.112 -4.822 3.566 758 HD2 PRO 103 1HD PRO 103 -6.566 -6.419 5.198 759 HD3 PRO 103 2HD PRO 103 -6.361 -6.756 3.467 760 H GLU 104 H GLU 104 -1.174 -7.080 5.051 761 HA GLU 104 HA GLU 104 -1.467 -7.341 7.971 762 HB2 GLU 104 1HB GLU 104 1.160 -7.958 7.542 763 HB3 GLU 104 2HB GLU 104 -0.125 -9.135 7.774 764 HG2 GLU 104 1HG GLU 104 0.339 -8.151 5.021 765 HG3 GLU 104 2HG GLU 104 1.546 -9.229 5.719 766 H ASP 105 H ASP 105 -0.114 -6.018 9.256 767 HA ASP 105 HA ASP 105 0.332 -3.424 8.169 768 HB2 ASP 105 1HB ASP 105 -0.221 -4.241 10.637 769 HB3 ASP 105 2HB ASP 105 1.534 -4.210 10.782 770 H TYR 106 H TYR 106 2.106 -2.578 7.287 771 HA TYR 106 HA TYR 106 4.399 -4.221 6.818 772 HB2 TYR 106 1HB TYR 106 3.642 -2.649 5.119 773 HB3 TYR 106 2HB TYR 106 3.901 -1.298 6.217 774 HD1 TYR 106 1HD TYR 106 6.176 -0.559 6.764 775 HD2 TYR 106 2HD TYR 106 5.484 -3.692 3.969 776 HE1 TYR 106 1HE TYR 106 8.483 -0.330 5.945 777 HE2 TYR 106 2HE TYR 106 7.790 -3.472 3.143 778 HH TYR 106 HH TYR 106 10.170 -1.716 4.779 779 H GLN 107 H GLN 107 5.482 -4.675 8.688 780 HA GLN 107 HA GLN 107 6.380 -2.425 10.342 781 HB2 GLN 107 1HB GLN 107 6.434 -5.397 10.895 782 HB3 GLN 107 2HB GLN 107 6.979 -4.148 12.007 783 HG2 GLN 107 1HG GLN 107 4.786 -3.316 12.297 784 HG3 GLN 107 2HG GLN 107 4.172 -4.271 10.948 785 HE21 GLN 107 1HE2 GLN 107 2.615 -5.287 12.177 786 HE22 GLN 107 2HE2 GLN 107 2.996 -6.476 13.371 787 H GLY 108 H GLY 108 7.886 -1.872 8.551 788 HA2 GLY 108 1HA GLY 108 10.487 -2.991 9.123 789 HA3 GLY 108 2HA GLY 108 9.910 -3.332 7.498 790 H GLY 109 H GLY 109 12.165 -2.004 7.526 791 HA2 GLY 109 1HA GLY 109 12.137 0.766 7.853 792 HA3 GLY 109 2HA GLY 109 13.195 -0.106 6.753 793 H ARG 110 H ARG 110 11.378 2.439 6.715 794 HA ARG 110 HA ARG 110 9.764 1.865 4.361 795 HB2 ARG 110 1HB ARG 110 9.974 4.116 6.300 796 HB3 ARG 110 2HB ARG 110 9.394 4.483 4.681 797 HG2 ARG 110 1HG ARG 110 7.523 3.083 4.917 798 HG3 ARG 110 2HG ARG 110 8.195 2.294 6.346 799 HD2 ARG 110 1HD ARG 110 8.123 4.661 7.388 800 HD3 ARG 110 2HD ARG 110 7.000 5.027 6.079 801 HE ARG 110 HE ARG 110 5.926 2.806 7.120 802 HH11 ARG 110 2HH1 ARG 110 7.089 5.733 8.605 803 HH12 ARG 110 1HH1 ARG 110 5.978 5.655 9.932 804 HH21 ARG 110 2HH2 ARG 110 4.459 2.693 8.863 805 HH22 ARG 110 1HH2 ARG 110 4.483 3.925 10.079 806 H THR 111 H THR 111 12.266 1.416 3.633 807 HA THR 111 HA THR 111 12.970 3.776 2.017 808 HB THR 111 HB THR 111 15.371 2.970 2.152 809 HG1 THR 111 1HG THR 111 14.183 1.379 4.183 810 HG21 THR 111 1HG2 THR 111 15.821 4.159 4.177 811 HG22 THR 111 2HG2 THR 111 14.198 3.841 4.791 812 HG23 THR 111 3HG2 THR 111 14.425 4.922 3.416 813 H GLY 112 H GLY 112 13.524 3.404 -0.098 814 HA2 GLY 112 1HA GLY 112 12.447 1.402 -1.554 815 HA3 GLY 112 2HA GLY 112 13.924 2.217 -2.045 816 H GLU 113 H GLU 113 15.401 1.186 0.299 817 HA GLU 113 HA GLU 113 16.190 -1.327 -0.881 818 HB2 GLU 113 1HB GLU 113 17.342 -0.433 1.708 819 HB3 GLU 113 2HB GLU 113 18.140 -1.121 0.301 820 HG2 GLU 113 1HG GLU 113 17.450 1.183 -0.781 821 HG3 GLU 113 2HG GLU 113 17.450 1.700 0.904 822 H ALA 114 H ALA 114 15.120 -0.301 2.362 823 HA ALA 114 HA ALA 114 14.949 -2.803 3.540 824 HB1 ALA 114 1HB ALA 114 13.113 -0.470 4.065 825 HB2 ALA 114 2HB ALA 114 13.470 -1.805 5.162 826 HB3 ALA 114 3HB ALA 114 14.734 -0.651 4.737 827 H ILE 115 H ILE 115 12.388 -1.004 1.839 828 HA ILE 115 HA ILE 115 10.299 -2.768 2.114 829 HB ILE 115 HB ILE 115 10.950 -1.208 -0.389 830 HG12 ILE 115 1HG1 ILE 115 9.021 -0.251 1.674 831 HG13 ILE 115 2HG1 ILE 115 10.740 -0.075 2.008 832 HG21 ILE 115 1HG2 ILE 115 9.224 -2.540 -1.073 833 HG22 ILE 115 2HG2 ILE 115 8.557 -2.698 0.551 834 HG23 ILE 115 3HG2 ILE 115 8.313 -1.209 -0.361 835 HD11 ILE 115 1HD1 ILE 115 9.664 1.915 0.976 836 HD12 ILE 115 2HD1 ILE 115 11.045 1.284 0.077 837 HD13 ILE 115 3HD1 ILE 115 9.405 0.954 -0.480 838 H VAL 116 H VAL 116 12.806 -2.792 -0.409 839 HA VAL 116 HA VAL 116 11.925 -4.904 -1.943 840 HB VAL 116 HB VAL 116 14.731 -4.053 -1.251 841 HG11 VAL 116 1HG1 VAL 116 13.835 -6.193 -3.174 842 HG12 VAL 116 2HG1 VAL 116 15.439 -5.456 -3.194 843 HG13 VAL 116 3HG1 VAL 116 14.907 -6.376 -1.786 844 HG21 VAL 116 1HG2 VAL 116 14.730 -2.966 -3.337 845 HG22 VAL 116 2HG2 VAL 116 13.293 -3.830 -3.882 846 HG23 VAL 116 3HG2 VAL 116 13.158 -2.597 -2.628 847 H ASP 117 H ASP 117 13.740 -4.995 1.085 848 HA ASP 117 HA ASP 117 14.106 -7.828 1.067 849 HB2 ASP 117 1HB ASP 117 15.404 -5.958 2.374 850 HB3 ASP 117 2HB ASP 117 14.153 -6.210 3.588 851 H ALA 118 H ALA 118 11.736 -5.627 2.455 852 HA ALA 118 HA ALA 118 10.404 -7.506 4.088 853 HB1 ALA 118 1HB ALA 118 10.122 -4.768 3.427 854 HB2 ALA 118 2HB ALA 118 8.561 -5.546 3.166 855 HB3 ALA 118 3HB ALA 118 9.353 -5.665 4.737 856 H ALA 119 H ALA 119 9.693 -6.327 0.804 857 HA ALA 119 HA ALA 119 7.392 -7.823 0.338 858 HB1 ALA 119 1HB ALA 119 7.536 -7.126 -1.830 859 HB2 ALA 119 2HB ALA 119 8.633 -5.969 -1.075 860 HB3 ALA 119 3HB ALA 119 9.280 -7.380 -1.914 861 H LEU 120 H LEU 120 10.786 -8.650 -0.313 862 HA LEU 120 HA LEU 120 10.300 -11.153 -1.494 863 HB2 LEU 120 1HB LEU 120 12.694 -10.148 0.035 864 HB3 LEU 120 2HB LEU 120 12.662 -11.644 -0.896 865 HG LEU 120 HG LEU 120 12.011 -9.072 -2.262 866 HD11 LEU 120 1HD1 LEU 120 14.799 -9.721 -2.514 867 HD12 LEU 120 2HD1 LEU 120 14.389 -9.401 -0.829 868 HD13 LEU 120 3HD1 LEU 120 14.038 -8.194 -2.066 869 HD21 LEU 120 1HD2 LEU 120 11.714 -11.086 -3.523 870 HD22 LEU 120 2HD2 LEU 120 13.316 -11.667 -3.069 871 HD23 LEU 120 3HD2 LEU 120 13.153 -10.265 -4.128 872 H SER 121 H SER 121 11.404 -10.435 1.824 873 HA SER 121 HA SER 121 11.364 -12.939 2.903 874 HB2 SER 121 1HB SER 121 11.851 -10.581 3.973 875 HB3 SER 121 2HB SER 121 10.179 -10.712 4.518 876 HG SER 121 HG SER 121 11.387 -13.028 4.995 877 H ALA 122 H ALA 122 8.590 -10.757 2.545 878 HA ALA 122 HA ALA 122 6.716 -12.536 3.739 879 HB1 ALA 122 1HB ALA 122 6.707 -9.883 2.780 880 HB2 ALA 122 2HB ALA 122 5.428 -10.747 1.926 881 HB3 ALA 122 3HB ALA 122 5.447 -10.718 3.689 882 H LEU 123 H LEU 123 7.829 -11.981 0.454 883 HA LEU 123 HA LEU 123 5.882 -13.272 -1.013 884 HB2 LEU 123 1HB LEU 123 7.925 -12.043 -1.850 885 HB3 LEU 123 2HB LEU 123 8.831 -13.525 -1.554 886 HG LEU 123 HG LEU 123 8.306 -13.382 -3.890 887 HD11 LEU 123 1HD1 LEU 123 8.003 -15.573 -2.502 888 HD12 LEU 123 2HD1 LEU 123 7.514 -15.517 -4.195 889 HD13 LEU 123 3HD1 LEU 123 6.303 -15.368 -2.922 890 HD21 LEU 123 1HD2 LEU 123 5.794 -12.363 -2.907 891 HD22 LEU 123 2HD2 LEU 123 5.537 -13.671 -4.061 892 HD23 LEU 123 3HD2 LEU 123 6.493 -12.263 -4.523 893 H ARG 124 H ARG 124 8.774 -14.712 0.481 894 HA ARG 124 HA ARG 124 7.989 -17.381 -0.236 895 HB2 ARG 124 1HB ARG 124 9.926 -18.040 1.210 896 HB3 ARG 124 2HB ARG 124 10.335 -16.927 -0.088 897 HG2 ARG 124 1HG ARG 124 10.619 -15.134 1.373 898 HG3 ARG 124 2HG ARG 124 9.731 -15.934 2.671 899 HD2 ARG 124 1HD ARG 124 12.075 -15.976 3.195 900 HD3 ARG 124 2HD ARG 124 11.549 -17.614 2.811 901 HE ARG 124 HE ARG 124 12.908 -17.591 0.956 902 HH11 ARG 124 2HH1 ARG 124 12.643 -14.373 2.259 903 HH12 ARG 124 1HH1 ARG 124 13.898 -13.723 1.257 904 HH21 ARG 124 2HH2 ARG 124 14.562 -16.747 -0.368 905 HH22 ARG 124 1HH2 ARG 124 14.988 -15.074 -0.238 906 H SER 125 H SER 125 7.654 -15.297 2.544 907 HA SER 125 HA SER 125 6.968 -17.293 4.433 908 HB2 SER 125 1HB SER 125 6.603 -15.559 5.902 909 HB3 SER 125 2HB SER 125 7.591 -14.722 4.705 910 HG SER 125 HG SER 125 5.425 -14.239 3.706 911 H GLY 126 H GLY 126 5.259 -15.867 1.829 912 HA2 GLY 126 1HA GLY 126 2.693 -16.844 2.908 913 HA3 GLY 126 2HA GLY 126 2.855 -15.610 1.667 914 HA PRO 127 HA PRO 127 1.878 -19.634 -0.415 915 HB2 PRO 127 1HB PRO 127 -0.016 -18.592 -2.057 916 HB3 PRO 127 2HB PRO 127 -0.371 -19.164 -0.423 917 HG2 PRO 127 1HG PRO 127 0.082 -16.369 -1.394 918 HG3 PRO 127 2HG PRO 127 -1.140 -16.976 -0.262 919 HD2 PRO 127 1HD PRO 127 1.116 -15.727 0.563 920 HD3 PRO 127 2HD PRO 127 0.334 -17.009 1.509 921 H SER 128 H SER 128 3.499 -20.048 -1.787 922 HA SER 128 HA SER 128 4.947 -18.326 -3.335 923 HB2 SER 128 1HB SER 128 5.715 -20.222 -4.589 924 HB3 SER 128 2HB SER 128 5.420 -20.774 -2.940 925 HG SER 128 HG SER 128 3.744 -21.925 -3.602 926 H SER 129 H SER 129 4.863 -17.520 -5.409 927 HA SER 129 HA SER 129 2.438 -16.725 -6.449 928 HB2 SER 129 1HB SER 129 4.854 -15.944 -7.015 929 HB3 SER 129 2HB SER 129 4.790 -17.188 -8.263 930 HG SER 129 HG SER 129 2.739 -15.268 -8.002 931 H GLY 130 H GLY 130 0.827 -17.823 -7.336 932 HA2 GLY 130 1HA GLY 130 1.208 -20.536 -8.249 933 HA3 GLY 130 2HA GLY 130 -0.312 -19.657 -8.187 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -19.569 -1.010 -11.950 2 HA2 GLY 1 1HA GLY 1 -18.803 0.799 -13.712 3 HA3 GLY 1 2HA GLY 1 -19.715 1.304 -12.297 4 H SER 2 H SER 2 -17.404 2.431 -14.023 5 HA SER 2 HA SER 2 -15.485 2.961 -11.868 6 HB2 SER 2 1HB SER 2 -14.594 2.168 -14.049 7 HB3 SER 2 2HB SER 2 -15.264 3.607 -14.819 8 HG SER 2 HG SER 2 -13.087 3.357 -13.082 9 H SER 3 H SER 3 -17.918 4.181 -11.522 10 HA SER 3 HA SER 3 -18.390 6.655 -12.604 11 HB2 SER 3 1HB SER 3 -19.684 5.352 -10.767 12 HB3 SER 3 2HB SER 3 -18.659 6.237 -9.638 13 HG SER 3 HG SER 3 -20.813 7.159 -10.382 14 H GLY 4 H GLY 4 -17.006 8.265 -12.931 15 HA2 GLY 4 1HA GLY 4 -15.761 9.643 -10.804 16 HA3 GLY 4 2HA GLY 4 -14.571 8.635 -11.615 17 H SER 5 H SER 5 -15.919 11.651 -11.533 18 HA SER 5 HA SER 5 -14.677 12.363 -14.055 19 HB2 SER 5 1HB SER 5 -17.634 12.667 -13.546 20 HB3 SER 5 2HB SER 5 -16.780 13.685 -14.705 21 HG SER 5 HG SER 5 -16.368 10.944 -14.901 22 H SER 6 H SER 6 -14.547 14.724 -14.346 23 HA SER 6 HA SER 6 -13.831 16.737 -13.553 24 HB2 SER 6 1HB SER 6 -16.339 16.233 -11.972 25 HB3 SER 6 2HB SER 6 -15.396 17.701 -11.719 26 HG SER 6 HG SER 6 -16.715 16.832 -14.060 27 H GLY 7 H GLY 7 -12.394 14.598 -12.521 28 HA2 GLY 7 1HA GLY 7 -11.798 15.572 -9.795 29 HA3 GLY 7 2HA GLY 7 -11.757 13.863 -10.202 30 H ALA 8 H ALA 8 -9.556 13.956 -9.376 31 HA ALA 8 HA ALA 8 -7.592 15.453 -10.870 32 HB1 ALA 8 1HB ALA 8 -6.502 15.238 -8.951 33 HB2 ALA 8 2HB ALA 8 -7.688 14.071 -8.363 34 HB3 ALA 8 3HB ALA 8 -6.296 13.520 -9.297 35 H VAL 9 H VAL 9 -5.565 14.169 -11.583 36 HA VAL 9 HA VAL 9 -6.446 11.809 -13.116 37 HB VAL 9 HB VAL 9 -6.015 13.871 -14.495 38 HG11 VAL 9 1HG1 VAL 9 -3.139 13.553 -14.503 39 HG12 VAL 9 2HG1 VAL 9 -4.111 15.018 -14.353 40 HG13 VAL 9 3HG1 VAL 9 -3.736 14.057 -12.922 41 HG21 VAL 9 1HG2 VAL 9 -5.966 11.694 -15.522 42 HG22 VAL 9 2HG2 VAL 9 -4.655 12.668 -16.187 43 HG23 VAL 9 3HG2 VAL 9 -4.309 11.432 -14.978 44 H SER 10 H SER 10 -3.945 13.296 -11.193 45 HA SER 10 HA SER 10 -2.818 10.746 -10.544 46 HB2 SER 10 1HB SER 10 -1.439 12.546 -12.485 47 HB3 SER 10 2HB SER 10 -0.451 11.701 -11.293 48 HG SER 10 HG SER 10 -2.052 10.649 -13.351 49 H GLY 11 H GLY 11 -1.415 10.828 -8.753 50 HA2 GLY 11 1HA GLY 11 -1.604 13.354 -7.266 51 HA3 GLY 11 2HA GLY 11 -1.324 11.767 -6.564 52 H LEU 12 H LEU 12 0.684 11.311 -5.958 53 HA LEU 12 HA LEU 12 2.820 13.139 -6.716 54 HB2 LEU 12 1HB LEU 12 2.926 10.829 -4.787 55 HB3 LEU 12 2HB LEU 12 4.087 12.146 -4.938 56 HG LEU 12 HG LEU 12 1.232 12.518 -4.043 57 HD11 LEU 12 1HD1 LEU 12 2.086 12.657 -1.785 58 HD12 LEU 12 2HD1 LEU 12 3.721 12.326 -2.354 59 HD13 LEU 12 3HD1 LEU 12 2.477 11.084 -2.479 60 HD21 LEU 12 1HD2 LEU 12 3.336 14.424 -3.295 61 HD22 LEU 12 2HD2 LEU 12 1.686 14.710 -3.849 62 HD23 LEU 12 3HD2 LEU 12 2.962 14.367 -5.018 63 H TYR 13 H TYR 13 2.008 9.709 -6.940 64 HA TYR 13 HA TYR 13 4.465 9.074 -8.324 65 HB2 TYR 13 1HB TYR 13 1.998 7.411 -7.775 66 HB3 TYR 13 2HB TYR 13 3.478 6.800 -8.507 67 HD1 TYR 13 2HD TYR 13 2.268 8.538 -5.434 68 HD2 TYR 13 1HD TYR 13 5.122 5.888 -7.148 69 HE1 TYR 13 2HE TYR 13 3.178 8.080 -3.195 70 HE2 TYR 13 1HE TYR 13 6.039 5.421 -4.914 71 HH TYR 13 HH TYR 13 4.976 7.198 -2.083 72 H SER 14 H SER 14 4.703 8.600 -10.480 73 HA SER 14 HA SER 14 2.425 9.318 -12.207 74 HB2 SER 14 1HB SER 14 3.887 10.338 -13.733 75 HB3 SER 14 2HB SER 14 4.542 10.812 -12.166 76 HG SER 14 HG SER 14 5.881 8.797 -12.473 77 H SER 15 H SER 15 1.806 7.931 -13.768 78 HA SER 15 HA SER 15 2.120 5.280 -13.714 79 HB2 SER 15 1HB SER 15 0.624 6.425 -15.298 80 HB3 SER 15 2HB SER 15 2.015 6.895 -16.275 81 HG SER 15 HG SER 15 0.632 4.704 -16.498 82 H SER 16 H SER 16 4.463 7.536 -14.990 83 HA SER 16 HA SER 16 6.112 5.868 -16.454 84 HB2 SER 16 1HB SER 16 6.278 8.417 -16.045 85 HB3 SER 16 2HB SER 16 7.240 7.983 -14.632 86 HG SER 16 HG SER 16 8.855 7.597 -15.908 87 H ASP 17 H ASP 17 6.313 6.601 -12.975 88 HA ASP 17 HA ASP 17 8.486 4.997 -12.345 89 HB2 ASP 17 1HB ASP 17 7.490 4.912 -10.036 90 HB3 ASP 17 2HB ASP 17 7.640 6.532 -10.712 91 H ASP 18 H ASP 18 8.434 2.959 -11.041 92 HA ASP 18 HA ASP 18 7.006 0.947 -12.506 93 HB2 ASP 18 1HB ASP 18 8.781 0.705 -10.067 94 HB3 ASP 18 2HB ASP 18 8.196 -0.642 -11.040 95 H VAL 19 H VAL 19 6.103 2.929 -10.035 96 HA VAL 19 HA VAL 19 4.653 1.061 -8.406 97 HB VAL 19 HB VAL 19 4.548 4.072 -8.577 98 HG11 VAL 19 1HG1 VAL 19 3.471 3.034 -6.140 99 HG12 VAL 19 2HG1 VAL 19 2.710 4.090 -7.331 100 HG13 VAL 19 3HG1 VAL 19 2.604 2.338 -7.508 101 HG21 VAL 19 1HG2 VAL 19 6.544 3.669 -7.555 102 HG22 VAL 19 2HG2 VAL 19 5.490 3.581 -6.144 103 HG23 VAL 19 3HG2 VAL 19 6.035 2.100 -6.931 104 H ILE 20 H ILE 20 2.669 0.282 -8.716 105 HA ILE 20 HA ILE 20 1.193 1.075 -11.078 106 HB ILE 20 HB ILE 20 0.611 -1.041 -9.003 107 HG12 ILE 20 1HG1 ILE 20 1.491 -1.397 -11.869 108 HG13 ILE 20 2HG1 ILE 20 2.627 -1.323 -10.527 109 HG21 ILE 20 1HG2 ILE 20 -0.717 -0.816 -11.682 110 HG22 ILE 20 2HG2 ILE 20 -1.207 -1.764 -10.279 111 HG23 ILE 20 3HG2 ILE 20 -1.371 -0.008 -10.258 112 HD11 ILE 20 1HD1 ILE 20 0.440 -3.357 -10.888 113 HD12 ILE 20 2HD1 ILE 20 2.166 -3.615 -11.143 114 HD13 ILE 20 3HD1 ILE 20 1.555 -3.278 -9.524 115 H GLU 21 H GLU 21 -0.286 2.622 -11.070 116 HA GLU 21 HA GLU 21 -1.192 3.893 -8.711 117 HB2 GLU 21 1HB GLU 21 -1.012 4.878 -11.063 118 HB3 GLU 21 2HB GLU 21 -2.539 4.074 -11.400 119 HG2 GLU 21 1HG GLU 21 -3.330 6.102 -10.785 120 HG3 GLU 21 2HG GLU 21 -3.273 5.338 -9.198 121 H LEU 22 H LEU 22 -2.192 2.429 -7.354 122 HA LEU 22 HA LEU 22 -4.335 0.746 -8.260 123 HB2 LEU 22 1HB LEU 22 -3.202 1.397 -5.557 124 HB3 LEU 22 2HB LEU 22 -4.627 0.379 -5.753 125 HG LEU 22 HG LEU 22 -1.875 -0.210 -6.844 126 HD11 LEU 22 1HD1 LEU 22 -1.546 -1.669 -5.100 127 HD12 LEU 22 2HD1 LEU 22 -3.269 -1.825 -4.760 128 HD13 LEU 22 3HD1 LEU 22 -2.407 -0.359 -4.293 129 HD21 LEU 22 1HD2 LEU 22 -4.429 -1.813 -6.900 130 HD22 LEU 22 2HD2 LEU 22 -2.840 -2.418 -7.370 131 HD23 LEU 22 3HD2 LEU 22 -3.594 -1.112 -8.286 132 H THR 23 H THR 23 -6.485 1.085 -8.151 133 HA THR 23 HA THR 23 -7.445 3.512 -6.795 134 HB THR 23 HB THR 23 -8.571 4.329 -8.602 135 HG1 THR 23 1HG THR 23 -9.120 2.797 -10.415 136 HG21 THR 23 1HG2 THR 23 -6.996 4.613 -10.180 137 HG22 THR 23 2HG2 THR 23 -6.899 2.886 -10.524 138 HG23 THR 23 3HG2 THR 23 -6.001 3.568 -9.168 139 HA PRO 24 HA PRO 24 -10.684 1.067 -5.126 140 HB2 PRO 24 1HB PRO 24 -12.805 2.760 -5.206 141 HB3 PRO 24 2HB PRO 24 -11.455 2.964 -4.083 142 HG2 PRO 24 1HG PRO 24 -11.976 4.342 -6.689 143 HG3 PRO 24 2HG PRO 24 -11.405 5.026 -5.156 144 HD2 PRO 24 1HD PRO 24 -9.735 4.465 -7.211 145 HD3 PRO 24 2HD PRO 24 -9.234 4.341 -5.513 146 H SER 25 H SER 25 -10.352 1.296 -8.238 147 HA SER 25 HA SER 25 -12.983 0.122 -8.863 148 HB2 SER 25 1HB SER 25 -11.358 2.136 -10.334 149 HB3 SER 25 2HB SER 25 -12.213 0.931 -11.297 150 HG SER 25 HG SER 25 -14.139 1.573 -10.254 151 H ASN 26 H ASN 26 -9.561 -0.169 -8.962 152 HA ASN 26 HA ASN 26 -9.833 -2.745 -10.362 153 HB2 ASN 26 1HB ASN 26 -7.301 -2.195 -10.956 154 HB3 ASN 26 2HB ASN 26 -8.628 -1.626 -11.963 155 HD21 ASN 26 1HD2 ASN 26 -6.013 -0.758 -9.966 156 HD22 ASN 26 2HD2 ASN 26 -6.207 0.957 -10.060 157 H PHE 27 H PHE 27 -8.827 -1.064 -7.604 158 HA PHE 27 HA PHE 27 -6.656 -2.284 -6.570 159 HB2 PHE 27 1HB PHE 27 -8.098 -0.608 -5.396 160 HB3 PHE 27 2HB PHE 27 -9.215 -1.910 -5.004 161 HD1 PHE 27 1HD PHE 27 -8.096 -3.983 -3.810 162 HD2 PHE 27 2HD PHE 27 -6.502 -0.036 -3.850 163 HE1 PHE 27 1HE PHE 27 -6.795 -4.491 -1.785 164 HE2 PHE 27 2HE PHE 27 -5.198 -0.539 -1.826 165 HZ PHE 27 HZ PHE 27 -5.342 -2.769 -0.791 166 H ASN 28 H ASN 28 -9.733 -3.775 -7.189 167 HA ASN 28 HA ASN 28 -9.057 -6.181 -5.708 168 HB2 ASN 28 1HB ASN 28 -11.394 -5.279 -5.789 169 HB3 ASN 28 2HB ASN 28 -11.438 -5.679 -7.503 170 HD21 ASN 28 1HD2 ASN 28 -11.139 -7.931 -8.086 171 HD22 ASN 28 2HD2 ASN 28 -11.698 -9.159 -7.007 172 H ARG 29 H ARG 29 -9.425 -5.132 -9.064 173 HA ARG 29 HA ARG 29 -8.811 -7.734 -10.129 174 HB2 ARG 29 1HB ARG 29 -9.403 -5.040 -11.255 175 HB3 ARG 29 2HB ARG 29 -8.534 -6.181 -12.273 176 HG2 ARG 29 1HG ARG 29 -10.758 -6.520 -12.836 177 HG3 ARG 29 2HG ARG 29 -10.418 -7.824 -11.696 178 HD2 ARG 29 1HD ARG 29 -12.485 -6.970 -11.008 179 HD3 ARG 29 2HD ARG 29 -11.320 -6.246 -9.900 180 HE ARG 29 HE ARG 29 -11.527 -4.389 -11.843 181 HH11 ARG 29 2HH1 ARG 29 -13.888 -6.099 -9.940 182 HH12 ARG 29 1HH1 ARG 29 -15.042 -4.807 -9.974 183 HH21 ARG 29 2HH2 ARG 29 -13.038 -2.682 -11.895 184 HH22 ARG 29 1HH2 ARG 29 -14.558 -2.865 -11.087 185 H GLU 30 H GLU 30 -6.971 -5.367 -8.716 186 HA GLU 30 HA GLU 30 -4.598 -6.001 -10.334 187 HB2 GLU 30 1HB GLU 30 -5.397 -3.638 -8.698 188 HB3 GLU 30 2HB GLU 30 -3.685 -4.016 -8.830 189 HG2 GLU 30 1HG GLU 30 -5.421 -3.770 -11.257 190 HG3 GLU 30 2HG GLU 30 -4.689 -2.359 -10.494 191 H VAL 31 H VAL 31 -5.631 -5.572 -6.955 192 HA VAL 31 HA VAL 31 -3.317 -7.133 -6.068 193 HB VAL 31 HB VAL 31 -5.345 -5.596 -4.437 194 HG11 VAL 31 1HG1 VAL 31 -2.889 -7.153 -3.689 195 HG12 VAL 31 2HG1 VAL 31 -3.535 -5.875 -2.658 196 HG13 VAL 31 3HG1 VAL 31 -4.522 -7.287 -3.036 197 HG21 VAL 31 1HG2 VAL 31 -2.502 -4.777 -4.615 198 HG22 VAL 31 2HG2 VAL 31 -3.525 -4.459 -6.017 199 HG23 VAL 31 3HG2 VAL 31 -3.957 -3.794 -4.441 200 H ILE 32 H ILE 32 -6.759 -6.958 -5.137 201 HA ILE 32 HA ILE 32 -6.961 -9.389 -3.870 202 HB ILE 32 HB ILE 32 -9.110 -8.158 -5.598 203 HG12 ILE 32 1HG1 ILE 32 -8.185 -6.545 -3.978 204 HG13 ILE 32 2HG1 ILE 32 -9.838 -6.995 -3.573 205 HG21 ILE 32 1HG2 ILE 32 -9.498 -10.496 -4.852 206 HG22 ILE 32 2HG2 ILE 32 -9.370 -9.942 -3.184 207 HG23 ILE 32 3HG2 ILE 32 -10.672 -9.345 -4.214 208 HD11 ILE 32 1HD1 ILE 32 -8.411 -6.866 -1.601 209 HD12 ILE 32 2HD1 ILE 32 -9.022 -8.501 -1.855 210 HD13 ILE 32 3HD1 ILE 32 -7.358 -8.105 -2.281 211 H GLN 33 H GLN 33 -6.992 -8.714 -7.311 212 HA GLN 33 HA GLN 33 -7.518 -11.526 -7.917 213 HB2 GLN 33 1HB GLN 33 -7.417 -9.041 -9.616 214 HB3 GLN 33 2HB GLN 33 -7.487 -10.652 -10.317 215 HG2 GLN 33 1HG GLN 33 -9.568 -9.102 -8.902 216 HG3 GLN 33 2HG GLN 33 -9.697 -10.172 -10.297 217 HE21 GLN 33 1HE2 GLN 33 -9.842 -9.907 -6.875 218 HE22 GLN 33 2HE2 GLN 33 -10.335 -11.530 -6.548 219 H SER 34 H SER 34 -5.013 -10.667 -6.690 220 HA SER 34 HA SER 34 -3.177 -11.607 -8.790 221 HB2 SER 34 1HB SER 34 -2.779 -9.220 -8.462 222 HB3 SER 34 2HB SER 34 -2.611 -9.466 -6.724 223 HG SER 34 HG SER 34 -0.849 -10.090 -8.796 224 H ASP 35 H ASP 35 -2.994 -13.689 -8.120 225 HA ASP 35 HA ASP 35 -3.000 -14.690 -5.556 226 HB2 ASP 35 1HB ASP 35 -2.110 -16.685 -6.433 227 HB3 ASP 35 2HB ASP 35 -2.957 -15.952 -7.793 228 H GLY 36 H GLY 36 -0.419 -13.079 -7.265 229 HA2 GLY 36 1HA GLY 36 1.667 -13.853 -5.465 230 HA3 GLY 36 2HA GLY 36 1.748 -12.569 -6.662 231 H LEU 37 H LEU 37 3.025 -11.854 -4.575 232 HA LEU 37 HA LEU 37 1.406 -10.759 -2.471 233 HB2 LEU 37 1HB LEU 37 3.911 -11.548 -2.477 234 HB3 LEU 37 2HB LEU 37 4.212 -9.883 -2.968 235 HG LEU 37 HG LEU 37 2.845 -9.258 -0.865 236 HD11 LEU 37 1HD1 LEU 37 2.892 -10.871 0.924 237 HD12 LEU 37 2HD1 LEU 37 3.682 -12.055 -0.117 238 HD13 LEU 37 3HD1 LEU 37 2.026 -11.551 -0.453 239 HD21 LEU 37 1HD2 LEU 37 5.540 -9.565 -1.386 240 HD22 LEU 37 2HD2 LEU 37 5.310 -10.412 0.144 241 HD23 LEU 37 3HD2 LEU 37 4.831 -8.721 -0.009 242 H TRP 38 H TRP 38 1.082 -8.555 -2.002 243 HA TRP 38 HA TRP 38 1.660 -6.649 -4.150 244 HB2 TRP 38 1HB TRP 38 -0.992 -7.616 -3.343 245 HB3 TRP 38 2HB TRP 38 -0.851 -5.860 -3.368 246 HD1 TRP 38 HD TRP 38 -0.982 -8.883 -5.657 247 HE1 TRP 38 1HE TRP 38 -1.148 -8.084 -8.098 248 HE3 TRP 38 3HE TRP 38 -0.138 -3.893 -4.937 249 HZ2 TRP 38 2HZ TRP 38 -0.947 -5.660 -9.529 250 HZ3 TRP 38 3HZ TRP 38 -0.141 -2.402 -6.894 251 HH2 TRP 38 HH TRP 38 -0.537 -3.269 -9.142 252 H LEU 39 H LEU 39 2.549 -4.871 -3.346 253 HA LEU 39 HA LEU 39 2.196 -4.291 -0.489 254 HB2 LEU 39 1HB LEU 39 4.378 -3.840 -2.451 255 HB3 LEU 39 2HB LEU 39 4.190 -2.665 -1.152 256 HG LEU 39 HG LEU 39 4.482 -5.612 -0.624 257 HD11 LEU 39 1HD1 LEU 39 6.407 -4.213 -1.902 258 HD12 LEU 39 2HD1 LEU 39 6.723 -5.540 -0.784 259 HD13 LEU 39 3HD1 LEU 39 6.817 -3.872 -0.221 260 HD21 LEU 39 1HD2 LEU 39 4.570 -3.102 0.999 261 HD22 LEU 39 2HD2 LEU 39 5.453 -4.534 1.530 262 HD23 LEU 39 3HD2 LEU 39 3.704 -4.607 1.308 263 H VAL 40 H VAL 40 0.451 -3.002 -0.287 264 HA VAL 40 HA VAL 40 0.163 -0.713 -2.099 265 HB VAL 40 HB VAL 40 -1.795 -1.847 -0.097 266 HG11 VAL 40 1HG1 VAL 40 -3.221 -0.287 -1.832 267 HG12 VAL 40 2HG1 VAL 40 -2.700 0.199 -0.217 268 HG13 VAL 40 3HG1 VAL 40 -1.738 0.644 -1.627 269 HG21 VAL 40 1HG2 VAL 40 -1.317 -2.305 -2.986 270 HG22 VAL 40 2HG2 VAL 40 -1.905 -3.412 -1.745 271 HG23 VAL 40 3HG2 VAL 40 -2.993 -2.214 -2.445 272 H GLU 41 H GLU 41 0.830 1.219 -1.459 273 HA GLU 41 HA GLU 41 1.081 1.734 1.430 274 HB2 GLU 41 1HB GLU 41 3.249 1.843 0.521 275 HB3 GLU 41 2HB GLU 41 2.697 2.684 -0.920 276 HG2 GLU 41 1HG GLU 41 2.388 4.708 0.267 277 HG3 GLU 41 2HG GLU 41 2.595 3.904 1.822 278 H PHE 42 H PHE 42 -0.279 3.165 2.259 279 HA PHE 42 HA PHE 42 -1.833 4.868 0.482 280 HB2 PHE 42 1HB PHE 42 -2.060 4.371 3.458 281 HB3 PHE 42 2HB PHE 42 -3.169 5.359 2.512 282 HD1 PHE 42 1HD PHE 42 -1.844 1.917 2.872 283 HD2 PHE 42 2HD PHE 42 -4.977 4.393 1.400 284 HE1 PHE 42 1HE PHE 42 -3.180 -0.085 2.361 285 HE2 PHE 42 2HE PHE 42 -6.319 2.395 0.887 286 HZ PHE 42 HZ PHE 42 -5.422 0.153 1.368 287 H TYR 43 H TYR 43 -0.691 6.625 -0.121 288 HA TYR 43 HA TYR 43 0.649 8.192 1.978 289 HB2 TYR 43 1HB TYR 43 2.045 9.130 0.287 290 HB3 TYR 43 2HB TYR 43 2.000 7.395 -0.003 291 HD1 TYR 43 1HD TYR 43 0.442 10.593 -1.100 292 HD2 TYR 43 2HD TYR 43 1.409 6.574 -2.106 293 HE1 TYR 43 1HE TYR 43 -0.278 11.006 -3.416 294 HE2 TYR 43 2HE TYR 43 0.692 6.975 -4.424 295 HH TYR 43 HH TYR 43 -0.579 8.427 -5.733 296 H ALA 44 H ALA 44 0.708 10.635 1.332 297 HA ALA 44 HA ALA 44 -1.932 11.478 0.354 298 HB1 ALA 44 1HB ALA 44 -1.841 13.252 2.207 299 HB2 ALA 44 2HB ALA 44 -2.285 11.605 2.657 300 HB3 ALA 44 3HB ALA 44 -0.652 12.195 2.969 301 HA PRO 45 HA PRO 45 0.737 14.114 -2.049 302 HB2 PRO 45 1HB PRO 45 -1.255 15.378 -3.392 303 HB3 PRO 45 2HB PRO 45 -0.719 13.740 -3.787 304 HG2 PRO 45 1HG PRO 45 -3.080 14.622 -2.171 305 HG3 PRO 45 2HG PRO 45 -2.976 13.344 -3.396 306 HD2 PRO 45 1HD PRO 45 -2.926 12.823 -0.739 307 HD3 PRO 45 2HD PRO 45 -2.048 11.833 -1.923 308 H TRP 46 H TRP 46 -1.011 14.884 0.593 309 HA TRP 46 HA TRP 46 -0.484 17.770 0.302 310 HB2 TRP 46 1HB TRP 46 -2.292 18.128 1.969 311 HB3 TRP 46 2HB TRP 46 -2.869 17.377 0.484 312 HD1 TRP 46 HD TRP 46 -4.297 15.266 0.783 313 HE1 TRP 46 1HE TRP 46 -4.792 13.645 2.720 314 HE3 TRP 46 3HE TRP 46 -0.991 17.086 4.232 315 HZ2 TRP 46 2HZ TRP 46 -3.900 13.196 5.360 316 HZ3 TRP 46 3HZ TRP 46 -0.875 16.005 6.439 317 HH2 TRP 46 HH TRP 46 -2.300 14.100 6.990 318 H CYS 47 H CYS 47 0.138 14.905 2.063 319 HA CYS 47 HA CYS 47 1.021 16.204 4.477 320 HB2 CYS 47 1HB CYS 47 0.166 13.704 3.998 321 HB3 CYS 47 2HB CYS 47 1.899 13.435 3.855 322 HG CYS 47 HG CYS 47 1.664 15.151 6.530 323 H GLY 48 H GLY 48 3.295 15.693 5.294 324 HA2 GLY 48 1HA GLY 48 5.160 16.620 3.253 325 HA3 GLY 48 2HA GLY 48 5.450 16.575 4.986 326 H HIS 49 H HIS 49 5.682 14.364 5.945 327 HA HIS 49 HA HIS 49 7.810 12.999 4.930 328 HB2 HIS 49 1HB HIS 49 6.771 10.974 6.235 329 HB3 HIS 49 2HB HIS 49 7.304 12.407 7.109 330 HD1 HIS 49 1HD HIS 49 5.685 13.033 8.852 331 HD2 HIS 49 2HD HIS 49 3.799 11.414 5.523 332 HE1 HIS 49 1HE HIS 49 3.228 13.065 9.389 333 HE2 HIS 49 2HE HIS 49 2.114 12.002 7.396 334 H CYS 50 H CYS 50 4.488 12.741 3.957 335 HA CYS 50 HA CYS 50 4.655 10.247 2.623 336 HB2 CYS 50 1HB CYS 50 2.778 12.591 2.291 337 HB3 CYS 50 2HB CYS 50 2.593 11.076 1.416 338 HG CYS 50 HG CYS 50 1.668 9.611 3.390 339 H GLN 51 H GLN 51 4.838 13.596 1.429 340 HA GLN 51 HA GLN 51 5.277 12.976 -1.264 341 HB2 GLN 51 1HB GLN 51 6.208 15.378 0.317 342 HB3 GLN 51 2HB GLN 51 6.203 15.268 -1.438 343 HG2 GLN 51 1HG GLN 51 3.825 15.161 -1.501 344 HG3 GLN 51 2HG GLN 51 3.733 14.999 0.252 345 HE21 GLN 51 1HE2 GLN 51 2.216 16.853 -0.240 346 HE22 GLN 51 2HE2 GLN 51 2.893 18.441 -0.177 347 H ARG 52 H ARG 52 7.377 12.825 1.465 348 HA ARG 52 HA ARG 52 9.793 12.773 -0.147 349 HB2 ARG 52 1HB ARG 52 9.522 12.216 2.808 350 HB3 ARG 52 2HB ARG 52 10.988 12.632 1.930 351 HG2 ARG 52 1HG ARG 52 9.905 14.844 1.400 352 HG3 ARG 52 2HG ARG 52 8.645 14.405 2.554 353 HD2 ARG 52 1HD ARG 52 10.266 14.248 4.332 354 HD3 ARG 52 2HD ARG 52 11.588 14.521 3.197 355 HE ARG 52 HE ARG 52 9.894 16.504 4.386 356 HH11 ARG 52 2HH1 ARG 52 11.880 15.743 1.629 357 HH12 ARG 52 1HH1 ARG 52 12.196 17.400 1.235 358 HH21 ARG 52 2HH2 ARG 52 10.303 18.690 3.877 359 HH22 ARG 52 1HH2 ARG 52 11.300 19.076 2.515 360 H LEU 53 H LEU 53 7.411 10.608 0.621 361 HA LEU 53 HA LEU 53 9.211 8.299 0.741 362 HB2 LEU 53 1HB LEU 53 7.320 8.542 2.367 363 HB3 LEU 53 2HB LEU 53 6.212 8.344 1.011 364 HG LEU 53 HG LEU 53 7.154 6.085 0.626 365 HD11 LEU 53 1HD1 LEU 53 8.451 5.129 2.592 366 HD12 LEU 53 2HD1 LEU 53 8.762 6.800 3.059 367 HD13 LEU 53 3HD1 LEU 53 9.329 6.201 1.500 368 HD21 LEU 53 1HD2 LEU 53 5.128 6.491 2.012 369 HD22 LEU 53 2HD2 LEU 53 6.157 6.476 3.445 370 HD23 LEU 53 3HD2 LEU 53 6.010 5.027 2.449 371 H THR 54 H THR 54 7.939 10.131 -1.590 372 HA THR 54 HA THR 54 6.691 8.279 -3.328 373 HB THR 54 HB THR 54 8.176 10.544 -4.535 374 HG1 THR 54 1HG THR 54 6.466 11.969 -3.690 375 HG21 THR 54 1HG2 THR 54 6.582 10.351 -6.091 376 HG22 THR 54 2HG2 THR 54 5.298 10.427 -4.884 377 HG23 THR 54 3HG2 THR 54 6.070 8.885 -5.255 378 HA PRO 55 HA PRO 55 11.059 8.013 -5.419 379 HB2 PRO 55 1HB PRO 55 13.166 8.853 -3.927 380 HB3 PRO 55 2HB PRO 55 12.275 9.922 -5.017 381 HG2 PRO 55 1HG PRO 55 12.030 9.611 -2.050 382 HG3 PRO 55 2HG PRO 55 12.043 11.094 -3.022 383 HD2 PRO 55 1HD PRO 55 9.758 9.994 -2.075 384 HD3 PRO 55 2HD PRO 55 9.826 10.876 -3.614 385 H GLU 56 H GLU 56 10.941 7.628 -1.902 386 HA GLU 56 HA GLU 56 12.732 5.418 -1.809 387 HB2 GLU 56 1HB GLU 56 10.700 6.495 0.141 388 HB3 GLU 56 2HB GLU 56 11.689 5.085 0.492 389 HG2 GLU 56 1HG GLU 56 13.673 6.338 0.481 390 HG3 GLU 56 2HG GLU 56 12.892 7.717 -0.290 391 H TRP 57 H TRP 57 9.208 5.722 -1.893 392 HA TRP 57 HA TRP 57 8.691 2.938 -1.643 393 HB2 TRP 57 1HB TRP 57 7.052 4.793 -1.158 394 HB3 TRP 57 2HB TRP 57 6.886 5.012 -2.898 395 HD1 TRP 57 HD TRP 57 4.727 3.929 -3.709 396 HE1 TRP 57 1HE TRP 57 3.406 1.789 -3.162 397 HE3 TRP 57 3HE TRP 57 7.705 2.064 0.004 398 HZ2 TRP 57 2HZ TRP 57 3.600 -0.400 -1.390 399 HZ3 TRP 57 3HZ TRP 57 7.067 -0.058 1.074 400 HH2 TRP 57 HH TRP 57 5.056 -1.262 0.391 401 H LYS 58 H LYS 58 9.082 5.120 -4.385 402 HA LYS 58 HA LYS 58 8.259 3.396 -6.425 403 HB2 LYS 58 1HB LYS 58 10.101 5.753 -6.303 404 HB3 LYS 58 2HB LYS 58 10.007 4.808 -7.783 405 HG2 LYS 58 1HG LYS 58 7.663 5.264 -7.996 406 HG3 LYS 58 2HG LYS 58 7.633 6.061 -6.421 407 HD2 LYS 58 1HD LYS 58 9.463 7.593 -7.487 408 HD3 LYS 58 2HD LYS 58 8.789 7.008 -9.010 409 HE2 LYS 58 1HE LYS 58 6.592 7.810 -8.378 410 HE3 LYS 58 2HE LYS 58 7.199 8.308 -6.800 411 HZ1 LYS 58 1HZ LYS 58 7.974 9.440 -9.433 412 HZ2 LYS 58 2HZ LYS 58 8.698 9.860 -7.963 413 HZ3 LYS 58 3HZ LYS 58 7.064 10.206 -8.230 414 H LYS 59 H LYS 59 11.521 3.963 -5.119 415 HA LYS 59 HA LYS 59 13.029 2.334 -6.699 416 HB2 LYS 59 1HB LYS 59 13.170 3.104 -3.830 417 HB3 LYS 59 2HB LYS 59 14.210 1.789 -4.362 418 HG2 LYS 59 1HG LYS 59 15.190 3.239 -6.060 419 HG3 LYS 59 2HG LYS 59 14.137 4.559 -5.544 420 HD2 LYS 59 1HD LYS 59 15.844 3.234 -3.498 421 HD3 LYS 59 2HD LYS 59 16.616 4.329 -4.648 422 HE2 LYS 59 1HE LYS 59 14.128 5.235 -3.295 423 HE3 LYS 59 2HE LYS 59 15.616 5.186 -2.350 424 HZ1 LYS 59 1HZ LYS 59 15.365 6.584 -4.955 425 HZ2 LYS 59 2HZ LYS 59 16.663 6.662 -3.873 426 HZ3 LYS 59 3HZ LYS 59 15.173 7.347 -3.457 427 H ALA 60 H ALA 60 11.312 1.293 -3.753 428 HA ALA 60 HA ALA 60 11.949 -1.414 -3.885 429 HB1 ALA 60 1HB ALA 60 9.250 -0.662 -2.908 430 HB2 ALA 60 2HB ALA 60 10.472 -1.704 -2.177 431 HB3 ALA 60 3HB ALA 60 10.646 0.050 -2.098 432 H ALA 61 H ALA 61 9.334 0.386 -5.430 433 HA ALA 61 HA ALA 61 7.932 -1.843 -6.449 434 HB1 ALA 61 1HB ALA 61 7.158 -0.027 -8.171 435 HB2 ALA 61 2HB ALA 61 6.655 0.064 -6.483 436 HB3 ALA 61 3HB ALA 61 7.980 1.073 -7.064 437 H THR 62 H THR 62 10.555 0.130 -7.749 438 HA THR 62 HA THR 62 10.572 -0.920 -10.355 439 HB THR 62 HB THR 62 12.920 0.155 -8.781 440 HG1 THR 62 1HG THR 62 12.342 2.113 -9.947 441 HG21 THR 62 1HG2 THR 62 14.142 0.200 -10.699 442 HG22 THR 62 2HG2 THR 62 12.726 0.433 -11.724 443 HG23 THR 62 3HG2 THR 62 13.108 -1.171 -11.099 444 H ALA 63 H ALA 63 12.250 -1.935 -7.408 445 HA ALA 63 HA ALA 63 13.683 -4.052 -8.702 446 HB1 ALA 63 1HB ALA 63 13.635 -4.626 -5.984 447 HB2 ALA 63 2HB ALA 63 14.888 -3.744 -6.858 448 HB3 ALA 63 3HB ALA 63 13.579 -2.865 -6.068 449 H LEU 64 H LEU 64 10.893 -3.934 -6.492 450 HA LEU 64 HA LEU 64 10.404 -6.762 -6.790 451 HB2 LEU 64 1HB LEU 64 8.502 -4.789 -5.574 452 HB3 LEU 64 2HB LEU 64 8.698 -6.502 -5.207 453 HG LEU 64 HG LEU 64 10.931 -4.609 -4.613 454 HD11 LEU 64 1HD1 LEU 64 9.985 -4.196 -2.396 455 HD12 LEU 64 2HD1 LEU 64 8.505 -5.028 -2.872 456 HD13 LEU 64 3HD1 LEU 64 8.967 -3.525 -3.671 457 HD21 LEU 64 1HD2 LEU 64 11.715 -6.627 -4.013 458 HD22 LEU 64 2HD2 LEU 64 10.105 -7.339 -3.916 459 HD23 LEU 64 3HD2 LEU 64 10.728 -6.383 -2.571 460 H LYS 65 H LYS 65 10.083 -4.494 -8.958 461 HA LYS 65 HA LYS 65 7.484 -4.284 -9.815 462 HB2 LYS 65 1HB LYS 65 8.991 -3.041 -11.063 463 HB3 LYS 65 2HB LYS 65 10.104 -4.390 -11.255 464 HG2 LYS 65 1HG LYS 65 8.663 -5.419 -12.877 465 HG3 LYS 65 2HG LYS 65 7.419 -4.197 -12.604 466 HD2 LYS 65 1HD LYS 65 10.140 -3.295 -13.409 467 HD3 LYS 65 2HD LYS 65 9.101 -4.026 -14.634 468 HE2 LYS 65 1HE LYS 65 7.369 -2.392 -14.178 469 HE3 LYS 65 2HE LYS 65 8.333 -1.698 -12.876 470 HZ1 LYS 65 1HZ LYS 65 9.517 -1.837 -15.550 471 HZ2 LYS 65 2HZ LYS 65 9.743 -0.688 -14.329 472 HZ3 LYS 65 3HZ LYS 65 8.335 -0.660 -15.265 473 H ASP 66 H ASP 66 9.784 -6.867 -10.666 474 HA ASP 66 HA ASP 66 7.595 -8.429 -11.810 475 HB2 ASP 66 1HB ASP 66 10.585 -8.592 -11.938 476 HB3 ASP 66 2HB ASP 66 9.621 -10.021 -12.299 477 H VAL 67 H VAL 67 9.465 -8.185 -8.954 478 HA VAL 67 HA VAL 67 9.077 -10.919 -8.109 479 HB VAL 67 HB VAL 67 9.833 -8.750 -6.198 480 HG11 VAL 67 1HG1 VAL 67 11.404 -10.567 -5.446 481 HG12 VAL 67 2HG1 VAL 67 9.686 -10.933 -5.274 482 HG13 VAL 67 3HG1 VAL 67 10.608 -11.630 -6.606 483 HG21 VAL 67 1HG2 VAL 67 11.158 -8.126 -8.069 484 HG22 VAL 67 2HG2 VAL 67 12.211 -9.024 -6.976 485 HG23 VAL 67 3HG2 VAL 67 11.569 -9.804 -8.421 486 H VAL 68 H VAL 68 8.128 -7.838 -6.580 487 HA VAL 68 HA VAL 68 5.549 -9.079 -5.883 488 HB VAL 68 HB VAL 68 7.284 -7.363 -4.106 489 HG11 VAL 68 1HG1 VAL 68 5.178 -6.559 -3.601 490 HG12 VAL 68 2HG1 VAL 68 4.394 -8.106 -3.928 491 HG13 VAL 68 3HG1 VAL 68 5.344 -7.891 -2.457 492 HG21 VAL 68 1HG2 VAL 68 7.502 -9.990 -4.436 493 HG22 VAL 68 2HG2 VAL 68 7.710 -9.223 -2.861 494 HG23 VAL 68 3HG2 VAL 68 6.175 -9.987 -3.274 495 H LYS 69 H LYS 69 3.887 -7.982 -6.669 496 HA LYS 69 HA LYS 69 4.077 -5.586 -8.071 497 HB2 LYS 69 1HB LYS 69 1.751 -7.027 -6.820 498 HB3 LYS 69 2HB LYS 69 1.529 -5.504 -7.671 499 HG2 LYS 69 1HG LYS 69 3.014 -7.667 -9.058 500 HG3 LYS 69 2HG LYS 69 1.266 -7.835 -8.880 501 HD2 LYS 69 1HD LYS 69 1.299 -6.685 -10.842 502 HD3 LYS 69 2HD LYS 69 1.342 -5.312 -9.734 503 HE2 LYS 69 1HE LYS 69 3.531 -4.845 -10.181 504 HE3 LYS 69 2HE LYS 69 3.931 -6.526 -10.533 505 HZ1 LYS 69 1HZ LYS 69 3.634 -6.162 -12.684 506 HZ2 LYS 69 2HZ LYS 69 3.447 -4.514 -12.355 507 HZ3 LYS 69 3HZ LYS 69 2.089 -5.519 -12.436 508 H VAL 70 H VAL 70 4.401 -3.575 -7.411 509 HA VAL 70 HA VAL 70 3.575 -2.840 -4.677 510 HB VAL 70 HB VAL 70 5.896 -1.773 -6.290 511 HG11 VAL 70 1HG1 VAL 70 6.417 -0.437 -4.292 512 HG12 VAL 70 2HG1 VAL 70 4.869 0.014 -5.008 513 HG13 VAL 70 3HG1 VAL 70 4.911 -0.979 -3.552 514 HG21 VAL 70 1HG2 VAL 70 5.626 -3.927 -4.394 515 HG22 VAL 70 2HG2 VAL 70 7.017 -3.464 -5.375 516 HG23 VAL 70 3HG2 VAL 70 6.754 -2.706 -3.804 517 H GLY 71 H GLY 71 1.767 -1.671 -4.792 518 HA2 GLY 71 1HA GLY 71 1.457 0.231 -7.020 519 HA3 GLY 71 2HA GLY 71 0.142 -0.428 -6.059 520 H ALA 72 H ALA 72 -0.625 1.707 -5.705 521 HA ALA 72 HA ALA 72 0.245 2.852 -3.280 522 HB1 ALA 72 1HB ALA 72 1.005 4.386 -5.762 523 HB2 ALA 72 2HB ALA 72 1.045 5.028 -4.120 524 HB3 ALA 72 3HB ALA 72 2.107 3.694 -4.571 525 H VAL 73 H VAL 73 -1.557 3.626 -2.414 526 HA VAL 73 HA VAL 73 -3.633 4.700 -4.209 527 HB VAL 73 HB VAL 73 -3.823 3.091 -1.692 528 HG11 VAL 73 1HG1 VAL 73 -5.573 5.320 -2.480 529 HG12 VAL 73 2HG1 VAL 73 -6.400 3.816 -2.072 530 HG13 VAL 73 3HG1 VAL 73 -5.321 4.576 -0.902 531 HG21 VAL 73 1HG2 VAL 73 -5.551 1.913 -3.011 532 HG22 VAL 73 2HG2 VAL 73 -5.234 3.008 -4.358 533 HG23 VAL 73 3HG2 VAL 73 -3.971 1.912 -3.796 534 H ASN 74 H ASN 74 -4.109 6.784 -4.015 535 HA ASN 74 HA ASN 74 -2.828 8.426 -2.070 536 HB2 ASN 74 1HB ASN 74 -3.262 9.316 -4.275 537 HB3 ASN 74 2HB ASN 74 -4.991 9.034 -4.094 538 HD21 ASN 74 1HD2 ASN 74 -4.806 11.394 -4.751 539 HD22 ASN 74 2HD2 ASN 74 -4.755 12.541 -3.460 540 H ALA 75 H ALA 75 -3.501 7.778 -0.031 541 HA ALA 75 HA ALA 75 -5.971 7.175 0.923 542 HB1 ALA 75 1HB ALA 75 -3.659 8.602 2.159 543 HB2 ALA 75 2HB ALA 75 -5.165 8.429 3.063 544 HB3 ALA 75 3HB ALA 75 -4.304 6.996 2.501 545 H ASP 76 H ASP 76 -4.704 10.411 0.290 546 HA ASP 76 HA ASP 76 -6.808 11.885 1.414 547 HB2 ASP 76 1HB ASP 76 -4.663 12.892 0.758 548 HB3 ASP 76 2HB ASP 76 -5.044 12.604 -0.938 549 H LYS 77 H LYS 77 -6.335 10.667 -1.885 550 HA LYS 77 HA LYS 77 -8.888 11.686 -2.764 551 HB2 LYS 77 1HB LYS 77 -7.155 11.651 -4.401 552 HB3 LYS 77 2HB LYS 77 -6.786 9.963 -4.073 553 HG2 LYS 77 1HG LYS 77 -9.263 9.593 -4.840 554 HG3 LYS 77 2HG LYS 77 -9.022 11.148 -5.639 555 HD2 LYS 77 1HD LYS 77 -7.049 8.909 -5.955 556 HD3 LYS 77 2HD LYS 77 -8.497 9.003 -6.960 557 HE2 LYS 77 1HE LYS 77 -6.691 11.372 -6.680 558 HE3 LYS 77 2HE LYS 77 -6.281 10.070 -7.795 559 HZ1 LYS 77 1HZ LYS 77 -9.004 10.960 -8.023 560 HZ2 LYS 77 2HZ LYS 77 -7.843 10.718 -9.228 561 HZ3 LYS 77 3HZ LYS 77 -7.878 12.175 -8.369 562 H HIS 78 H HIS 78 -7.491 8.406 -2.558 563 HA HIS 78 HA HIS 78 -10.127 7.221 -2.672 564 HB2 HIS 78 1HB HIS 78 -7.454 5.881 -2.218 565 HB3 HIS 78 2HB HIS 78 -8.964 5.088 -2.657 566 HD1 HIS 78 1HD HIS 78 -9.887 6.823 -4.980 567 HD2 HIS 78 2HD HIS 78 -5.953 5.594 -4.458 568 HE1 HIS 78 1HE HIS 78 -8.841 6.931 -7.264 569 HE2 HIS 78 2HE HIS 78 -6.485 6.101 -6.938 570 H GLN 79 H GLN 79 -9.915 8.874 -0.468 571 HA GLN 79 HA GLN 79 -9.070 7.934 1.935 572 HB2 GLN 79 1HB GLN 79 -11.470 9.501 1.113 573 HB3 GLN 79 2HB GLN 79 -11.383 8.930 2.773 574 HG2 GLN 79 1HG GLN 79 -9.057 10.003 2.815 575 HG3 GLN 79 2HG GLN 79 -9.569 10.837 1.349 576 HE21 GLN 79 1HE2 GLN 79 -9.516 12.852 2.304 577 HE22 GLN 79 2HE2 GLN 79 -10.678 13.359 3.477 578 H SER 80 H SER 80 -11.748 6.730 0.039 579 HA SER 80 HA SER 80 -12.989 5.175 2.040 580 HB2 SER 80 1HB SER 80 -13.776 5.832 -0.385 581 HB3 SER 80 2HB SER 80 -13.005 4.308 -0.827 582 HG SER 80 HG SER 80 -14.977 4.594 1.194 583 H LEU 81 H LEU 81 -10.660 4.275 -0.500 584 HA LEU 81 HA LEU 81 -10.384 1.591 0.105 585 HB2 LEU 81 1HB LEU 81 -8.408 3.589 -0.962 586 HB3 LEU 81 2HB LEU 81 -8.029 1.875 -0.808 587 HG LEU 81 HG LEU 81 -10.185 3.078 -2.544 588 HD11 LEU 81 1HD1 LEU 81 -7.610 1.698 -3.284 589 HD12 LEU 81 2HD1 LEU 81 -7.889 3.437 -3.353 590 HD13 LEU 81 3HD1 LEU 81 -8.811 2.355 -4.396 591 HD21 LEU 81 1HD2 LEU 81 -9.887 0.441 -1.473 592 HD22 LEU 81 2HD2 LEU 81 -9.656 0.398 -3.221 593 HD23 LEU 81 3HD2 LEU 81 -11.138 1.074 -2.543 594 H GLY 82 H GLY 82 -8.483 4.320 1.384 595 HA2 GLY 82 1HA GLY 82 -6.839 2.804 3.085 596 HA3 GLY 82 2HA GLY 82 -7.198 4.513 3.276 597 H GLY 83 H GLY 83 -9.663 4.790 4.005 598 HA2 GLY 83 1HA GLY 83 -9.787 3.929 6.659 599 HA3 GLY 83 2HA GLY 83 -11.140 4.585 5.748 600 H GLN 84 H GLN 84 -11.010 2.433 3.743 601 HA GLN 84 HA GLN 84 -12.825 0.644 4.941 602 HB2 GLN 84 1HB GLN 84 -12.739 1.150 2.512 603 HB3 GLN 84 2HB GLN 84 -11.232 0.252 2.402 604 HG2 GLN 84 1HG GLN 84 -12.274 -1.790 2.767 605 HG3 GLN 84 2HG GLN 84 -13.706 -1.041 3.471 606 HE21 GLN 84 1HE2 GLN 84 -11.892 -1.308 0.449 607 HE22 GLN 84 2HE2 GLN 84 -13.269 -1.223 -0.591 608 H TYR 85 H TYR 85 -9.430 0.757 4.992 609 HA TYR 85 HA TYR 85 -9.246 -2.083 5.730 610 HB2 TYR 85 1HB TYR 85 -7.259 -0.116 4.643 611 HB3 TYR 85 2HB TYR 85 -6.703 -1.526 5.537 612 HD1 TYR 85 1HD TYR 85 -9.135 -0.757 2.797 613 HD2 TYR 85 2HD TYR 85 -6.109 -3.356 4.276 614 HE1 TYR 85 1HE TYR 85 -9.309 -2.113 0.752 615 HE2 TYR 85 2HE TYR 85 -6.274 -4.719 2.235 616 HH TYR 85 HH TYR 85 -8.774 -4.161 -0.150 617 H GLY 86 H GLY 86 -8.464 1.189 6.797 618 HA2 GLY 86 1HA GLY 86 -8.928 1.373 9.303 619 HA3 GLY 86 2HA GLY 86 -7.723 0.101 9.436 620 H VAL 87 H VAL 87 -7.305 2.510 6.997 621 HA VAL 87 HA VAL 87 -4.807 3.331 8.116 622 HB VAL 87 HB VAL 87 -6.318 4.582 5.819 623 HG11 VAL 87 1HG1 VAL 87 -3.367 4.616 6.432 624 HG12 VAL 87 2HG1 VAL 87 -4.197 5.471 5.131 625 HG13 VAL 87 3HG1 VAL 87 -4.478 5.931 6.811 626 HG21 VAL 87 1HG2 VAL 87 -6.040 2.533 4.912 627 HG22 VAL 87 2HG2 VAL 87 -4.393 3.105 4.646 628 HG23 VAL 87 3HG2 VAL 87 -4.758 2.089 6.040 629 H GLN 88 H GLN 88 -4.512 4.814 9.631 630 HA GLN 88 HA GLN 88 -6.571 6.886 9.996 631 HB2 GLN 88 1HB GLN 88 -4.624 5.717 11.989 632 HB3 GLN 88 2HB GLN 88 -5.712 7.057 12.328 633 HG2 GLN 88 1HG GLN 88 -6.682 4.364 11.421 634 HG3 GLN 88 2HG GLN 88 -6.448 4.780 13.118 635 HE21 GLN 88 1HE2 GLN 88 -7.521 6.924 13.730 636 HE22 GLN 88 2HE2 GLN 88 -9.136 7.145 13.159 637 H GLY 89 H GLY 89 -3.087 6.280 9.925 638 HA2 GLY 89 1HA GLY 89 -2.700 9.106 9.212 639 HA3 GLY 89 2HA GLY 89 -1.747 8.419 10.519 640 H PHE 90 H PHE 90 -1.295 9.433 7.601 641 HA PHE 90 HA PHE 90 0.133 7.094 6.565 642 HB2 PHE 90 1HB PHE 90 0.159 9.582 4.984 643 HB3 PHE 90 2HB PHE 90 -0.177 7.928 4.481 644 HD1 PHE 90 2HD PHE 90 -2.465 7.091 5.903 645 HD2 PHE 90 1HD PHE 90 -1.562 10.977 4.418 646 HE1 PHE 90 2HE PHE 90 -4.868 7.609 5.807 647 HE2 PHE 90 1HE PHE 90 -3.964 11.501 4.321 648 HZ PHE 90 HZ PHE 90 -5.621 9.816 5.014 649 HA PRO 91 HA PRO 91 1.612 7.315 4.553 650 HB2 PRO 91 1HB PRO 91 3.910 5.871 4.500 651 HB3 PRO 91 2HB PRO 91 3.775 7.488 3.798 652 HG2 PRO 91 1HG PRO 91 4.903 6.660 6.445 653 HG3 PRO 91 2HG PRO 91 5.537 7.833 5.276 654 HD2 PRO 91 1HD PRO 91 4.173 8.577 7.494 655 HD3 PRO 91 2HD PRO 91 4.101 9.495 5.976 656 H THR 92 H THR 92 0.881 5.214 4.372 657 HA THR 92 HA THR 92 1.239 3.447 6.693 658 HB THR 92 HB THR 92 -1.363 4.315 5.465 659 HG1 THR 92 1HG THR 92 -0.216 5.045 7.588 660 HG21 THR 92 1HG2 THR 92 -0.646 1.634 6.369 661 HG22 THR 92 2HG2 THR 92 -2.058 2.183 5.467 662 HG23 THR 92 3HG2 THR 92 -2.032 2.307 7.225 663 H ILE 93 H ILE 93 2.468 1.911 5.740 664 HA ILE 93 HA ILE 93 1.806 0.923 3.090 665 HB ILE 93 HB ILE 93 4.002 0.092 4.989 666 HG12 ILE 93 1HG1 ILE 93 4.413 1.579 2.420 667 HG13 ILE 93 2HG1 ILE 93 3.927 2.463 3.862 668 HG21 ILE 93 1HG2 ILE 93 3.093 -0.956 2.395 669 HG22 ILE 93 2HG2 ILE 93 4.830 -0.695 2.542 670 HG23 ILE 93 3HG2 ILE 93 3.996 -1.746 3.687 671 HD11 ILE 93 1HD1 ILE 93 6.423 2.274 3.310 672 HD12 ILE 93 2HD1 ILE 93 5.906 1.980 4.971 673 HD13 ILE 93 3HD1 ILE 93 6.282 0.622 3.910 674 H LYS 94 H LYS 94 1.065 -1.112 2.609 675 HA LYS 94 HA LYS 94 0.430 -2.906 4.842 676 HB2 LYS 94 1HB LYS 94 -1.482 -1.799 2.805 677 HB3 LYS 94 2HB LYS 94 -1.782 -3.356 3.567 678 HG2 LYS 94 1HG LYS 94 -1.227 -0.957 5.254 679 HG3 LYS 94 2HG LYS 94 -2.831 -1.202 4.560 680 HD2 LYS 94 1HD LYS 94 -2.615 -3.590 5.558 681 HD3 LYS 94 2HD LYS 94 -1.357 -2.869 6.564 682 HE2 LYS 94 1HE LYS 94 -2.987 -1.160 7.302 683 HE3 LYS 94 2HE LYS 94 -4.233 -1.982 6.364 684 HZ1 LYS 94 1HZ LYS 94 -2.920 -2.823 8.848 685 HZ2 LYS 94 2HZ LYS 94 -3.461 -4.016 7.778 686 HZ3 LYS 94 3HZ LYS 94 -4.554 -2.894 8.418 687 H ILE 95 H ILE 95 0.762 -5.018 4.422 688 HA ILE 95 HA ILE 95 1.724 -5.704 1.739 689 HB ILE 95 HB ILE 95 2.037 -7.154 4.369 690 HG12 ILE 95 1HG1 ILE 95 4.270 -6.065 2.691 691 HG13 ILE 95 2HG1 ILE 95 3.367 -4.980 3.743 692 HG21 ILE 95 1HG2 ILE 95 2.805 -7.911 1.572 693 HG22 ILE 95 2HG2 ILE 95 3.696 -8.524 2.964 694 HG23 ILE 95 3HG2 ILE 95 1.976 -8.873 2.796 695 HD11 ILE 95 1HD1 ILE 95 4.422 -5.710 5.554 696 HD12 ILE 95 2HD1 ILE 95 4.207 -7.401 5.101 697 HD13 ILE 95 3HD1 ILE 95 5.558 -6.477 4.444 698 H PHE 96 H PHE 96 0.792 -7.248 0.493 699 HA PHE 96 HA PHE 96 -1.650 -8.513 1.551 700 HB2 PHE 96 1HB PHE 96 -1.034 -7.405 -1.180 701 HB3 PHE 96 2HB PHE 96 -2.328 -8.572 -0.931 702 HD1 PHE 96 1HD PHE 96 -1.097 -5.293 0.329 703 HD2 PHE 96 2HD PHE 96 -4.443 -7.823 -0.393 704 HE1 PHE 96 1HE PHE 96 -2.615 -3.464 0.968 705 HE2 PHE 96 2HE PHE 96 -5.965 -5.998 0.244 706 HZ PHE 96 HZ PHE 96 -5.052 -3.815 0.924 707 H GLY 97 H GLY 97 -1.721 -10.669 1.555 708 HA2 GLY 97 1HA GLY 97 -0.423 -12.269 -0.435 709 HA3 GLY 97 2HA GLY 97 0.430 -12.310 1.100 710 H ALA 98 H ALA 98 -0.507 -13.330 2.876 711 HA ALA 98 HA ALA 98 -1.844 -15.655 2.545 712 HB1 ALA 98 1HB ALA 98 -1.925 -15.788 4.796 713 HB2 ALA 98 2HB ALA 98 -0.923 -14.339 4.702 714 HB3 ALA 98 3HB ALA 98 -2.659 -14.194 4.973 715 H ASN 99 H ASN 99 -3.557 -12.789 3.805 716 HA ASN 99 HA ASN 99 -5.967 -13.742 2.400 717 HB2 ASN 99 1HB ASN 99 -6.064 -13.848 4.906 718 HB3 ASN 99 2HB ASN 99 -5.893 -12.096 4.936 719 HD21 ASN 99 1HD2 ASN 99 -7.850 -11.613 5.790 720 HD22 ASN 99 2HD2 ASN 99 -9.351 -11.916 4.990 721 H LYS 100 H LYS 100 -6.043 -12.544 0.587 722 HA LYS 100 HA LYS 100 -5.103 -9.940 0.255 723 HB2 LYS 100 1HB LYS 100 -7.116 -11.606 -1.223 724 HB3 LYS 100 2HB LYS 100 -6.836 -9.933 -1.687 725 HG2 LYS 100 1HG LYS 100 -4.746 -12.099 -1.585 726 HG3 LYS 100 2HG LYS 100 -5.527 -11.480 -3.042 727 HD2 LYS 100 1HD LYS 100 -4.639 -9.210 -2.433 728 HD3 LYS 100 2HD LYS 100 -3.702 -9.993 -1.159 729 HE2 LYS 100 1HE LYS 100 -3.531 -10.671 -4.093 730 HE3 LYS 100 2HE LYS 100 -2.409 -9.613 -3.238 731 HZ1 LYS 100 1HZ LYS 100 -1.295 -11.566 -3.074 732 HZ2 LYS 100 2HZ LYS 100 -2.692 -12.518 -3.105 733 HZ3 LYS 100 3HZ LYS 100 -2.247 -11.716 -1.684 734 H ASN 101 H ASN 101 -7.942 -11.082 1.797 735 HA ASN 101 HA ASN 101 -9.459 -8.655 1.517 736 HB2 ASN 101 1HB ASN 101 -9.804 -11.177 3.121 737 HB3 ASN 101 2HB ASN 101 -10.848 -9.784 3.386 738 HD21 ASN 101 1HD2 ASN 101 -9.933 -12.309 1.193 739 HD22 ASN 101 2HD2 ASN 101 -11.264 -12.128 0.106 740 H LYS 102 H LYS 102 -7.208 -10.003 3.818 741 HA LYS 102 HA LYS 102 -7.297 -7.476 5.310 742 HB2 LYS 102 1HB LYS 102 -6.999 -10.160 6.657 743 HB3 LYS 102 2HB LYS 102 -7.195 -8.590 7.426 744 HG2 LYS 102 1HG LYS 102 -9.468 -8.457 6.411 745 HG3 LYS 102 2HG LYS 102 -9.254 -10.118 5.851 746 HD2 LYS 102 1HD LYS 102 -8.770 -9.544 8.727 747 HD3 LYS 102 2HD LYS 102 -10.440 -9.552 8.156 748 HE2 LYS 102 1HE LYS 102 -10.308 -11.794 7.472 749 HE3 LYS 102 2HE LYS 102 -8.546 -11.798 7.538 750 HZ1 LYS 102 1HZ LYS 102 -8.796 -11.453 9.997 751 HZ2 LYS 102 2HZ LYS 102 -9.294 -12.964 9.425 752 HZ3 LYS 102 3HZ LYS 102 -10.444 -11.786 9.812 753 HA PRO 103 HA PRO 103 -2.974 -8.166 4.098 754 HB2 PRO 103 1HB PRO 103 -2.300 -5.541 4.244 755 HB3 PRO 103 2HB PRO 103 -3.098 -6.250 2.836 756 HG2 PRO 103 1HG PRO 103 -4.282 -4.683 5.095 757 HG3 PRO 103 2HG PRO 103 -4.616 -4.567 3.358 758 HD2 PRO 103 1HD PRO 103 -6.243 -5.893 5.068 759 HD3 PRO 103 2HD PRO 103 -6.024 -6.392 3.379 760 H GLU 104 H GLU 104 -0.907 -7.407 5.163 761 HA GLU 104 HA GLU 104 -1.269 -7.498 8.071 762 HB2 GLU 104 1HB GLU 104 1.182 -8.053 6.391 763 HB3 GLU 104 2HB GLU 104 1.095 -8.202 8.140 764 HG2 GLU 104 1HG GLU 104 -0.811 -9.733 6.435 765 HG3 GLU 104 2HG GLU 104 0.847 -10.301 6.627 766 H ASP 105 H ASP 105 0.127 -6.201 9.433 767 HA ASP 105 HA ASP 105 0.297 -3.492 8.481 768 HB2 ASP 105 1HB ASP 105 1.350 -4.463 11.128 769 HB3 ASP 105 2HB ASP 105 0.701 -2.878 10.719 770 H TYR 106 H TYR 106 1.939 -2.919 7.214 771 HA TYR 106 HA TYR 106 4.427 -4.236 7.096 772 HB2 TYR 106 1HB TYR 106 3.566 -2.955 5.210 773 HB3 TYR 106 2HB TYR 106 3.651 -1.469 6.150 774 HD1 TYR 106 1HD TYR 106 5.915 -0.608 6.856 775 HD2 TYR 106 2HD TYR 106 5.445 -3.751 4.027 776 HE1 TYR 106 1HE TYR 106 8.214 -0.232 6.064 777 HE2 TYR 106 2HE TYR 106 7.742 -3.385 3.229 778 HH TYR 106 HH TYR 106 9.873 -1.026 4.782 779 H GLN 107 H GLN 107 5.692 -4.328 8.854 780 HA GLN 107 HA GLN 107 6.222 -1.832 10.321 781 HB2 GLN 107 1HB GLN 107 6.388 -4.722 11.160 782 HB3 GLN 107 2HB GLN 107 7.111 -3.425 12.102 783 HG2 GLN 107 1HG GLN 107 4.209 -3.421 11.345 784 HG3 GLN 107 2HG GLN 107 4.807 -4.226 12.795 785 HE21 GLN 107 1HE2 GLN 107 3.252 -1.614 11.931 786 HE22 GLN 107 2HE2 GLN 107 3.872 -0.451 13.048 787 H GLY 108 H GLY 108 7.510 -2.222 7.883 788 HA2 GLY 108 1HA GLY 108 10.253 -2.952 8.697 789 HA3 GLY 108 2HA GLY 108 9.651 -3.029 7.047 790 H GLY 109 H GLY 109 11.870 -1.774 7.063 791 HA2 GLY 109 1HA GLY 109 11.847 0.953 7.846 792 HA3 GLY 109 2HA GLY 109 12.976 0.212 6.721 793 H ARG 110 H ARG 110 11.230 2.769 6.826 794 HA ARG 110 HA ARG 110 9.577 2.506 4.478 795 HB2 ARG 110 1HB ARG 110 10.372 4.925 6.107 796 HB3 ARG 110 2HB ARG 110 9.224 4.954 4.775 797 HG2 ARG 110 1HG ARG 110 8.068 3.057 6.216 798 HG3 ARG 110 2HG ARG 110 8.922 3.884 7.521 799 HD2 ARG 110 1HD ARG 110 7.040 5.178 5.550 800 HD3 ARG 110 2HD ARG 110 6.648 4.751 7.215 801 HE ARG 110 HE ARG 110 8.171 7.020 6.317 802 HH11 ARG 110 2HH1 ARG 110 7.510 4.876 8.978 803 HH12 ARG 110 1HH1 ARG 110 8.016 6.009 10.187 804 HH21 ARG 110 2HH2 ARG 110 8.840 8.521 7.899 805 HH22 ARG 110 1HH2 ARG 110 8.772 8.083 9.572 806 H THR 111 H THR 111 12.158 1.763 3.863 807 HA THR 111 HA THR 111 12.970 3.928 2.041 808 HB THR 111 HB THR 111 15.346 2.977 2.305 809 HG1 THR 111 1HG THR 111 14.052 1.905 4.601 810 HG21 THR 111 1HG2 THR 111 14.870 5.173 3.097 811 HG22 THR 111 2HG2 THR 111 15.719 4.337 4.397 812 HG23 THR 111 3HG2 THR 111 13.971 4.548 4.479 813 H GLY 112 H GLY 112 13.230 3.345 -0.036 814 HA2 GLY 112 1HA GLY 112 12.216 1.226 -1.272 815 HA3 GLY 112 2HA GLY 112 13.709 1.952 -1.848 816 H GLU 113 H GLU 113 15.349 1.175 0.354 817 HA GLU 113 HA GLU 113 16.117 -1.403 -0.517 818 HB2 GLU 113 1HB GLU 113 17.027 -0.427 2.140 819 HB3 GLU 113 2HB GLU 113 17.951 -1.152 0.832 820 HG2 GLU 113 1HG GLU 113 17.078 1.687 1.170 821 HG3 GLU 113 2HG GLU 113 18.697 1.044 0.901 822 H ALA 114 H ALA 114 14.974 -0.381 2.707 823 HA ALA 114 HA ALA 114 14.637 -2.880 3.823 824 HB1 ALA 114 1HB ALA 114 13.933 -0.220 4.487 825 HB2 ALA 114 2HB ALA 114 12.510 -1.230 4.741 826 HB3 ALA 114 3HB ALA 114 14.028 -1.626 5.547 827 H ILE 115 H ILE 115 12.297 -1.003 1.923 828 HA ILE 115 HA ILE 115 10.107 -2.698 2.141 829 HB ILE 115 HB ILE 115 10.870 -1.110 -0.312 830 HG12 ILE 115 1HG1 ILE 115 8.966 -0.074 1.731 831 HG13 ILE 115 2HG1 ILE 115 10.683 -0.011 2.114 832 HG21 ILE 115 1HG2 ILE 115 9.029 -2.804 -0.525 833 HG22 ILE 115 2HG2 ILE 115 8.129 -1.871 0.669 834 HG23 ILE 115 3HG2 ILE 115 8.561 -1.141 -0.877 835 HD11 ILE 115 1HD1 ILE 115 9.659 1.067 -0.478 836 HD12 ILE 115 2HD1 ILE 115 9.581 2.023 1.003 837 HD13 ILE 115 3HD1 ILE 115 11.140 1.467 0.393 838 H VAL 116 H VAL 116 12.754 -2.747 -0.224 839 HA VAL 116 HA VAL 116 11.843 -4.802 -1.857 840 HB VAL 116 HB VAL 116 14.684 -4.112 -1.101 841 HG11 VAL 116 1HG1 VAL 116 13.818 -6.418 -2.363 842 HG12 VAL 116 2HG1 VAL 116 14.304 -5.361 -3.690 843 HG13 VAL 116 3HG1 VAL 116 15.449 -5.749 -2.405 844 HG21 VAL 116 1HG2 VAL 116 14.483 -2.380 -2.477 845 HG22 VAL 116 2HG2 VAL 116 13.929 -3.434 -3.778 846 HG23 VAL 116 3HG2 VAL 116 12.766 -2.745 -2.645 847 H ASP 117 H ASP 117 13.681 -4.965 1.161 848 HA ASP 117 HA ASP 117 14.034 -7.788 1.109 849 HB2 ASP 117 1HB ASP 117 15.316 -5.980 2.474 850 HB3 ASP 117 2HB ASP 117 14.013 -6.175 3.643 851 H ALA 118 H ALA 118 11.574 -5.645 2.399 852 HA ALA 118 HA ALA 118 10.229 -7.548 4.001 853 HB1 ALA 118 1HB ALA 118 9.315 -5.619 4.630 854 HB2 ALA 118 2HB ALA 118 9.805 -4.816 3.138 855 HB3 ALA 118 3HB ALA 118 8.300 -5.733 3.192 856 H ALA 119 H ALA 119 9.706 -6.443 0.666 857 HA ALA 119 HA ALA 119 7.418 -7.961 0.123 858 HB1 ALA 119 1HB ALA 119 8.975 -6.165 -1.271 859 HB2 ALA 119 2HB ALA 119 9.173 -7.667 -2.175 860 HB3 ALA 119 3HB ALA 119 7.559 -7.015 -1.891 861 H LEU 120 H LEU 120 10.852 -8.738 -0.295 862 HA LEU 120 HA LEU 120 10.473 -11.248 -1.518 863 HB2 LEU 120 1HB LEU 120 12.769 -10.233 0.150 864 HB3 LEU 120 2HB LEU 120 12.804 -11.696 -0.833 865 HG LEU 120 HG LEU 120 12.192 -9.079 -2.135 866 HD11 LEU 120 1HD1 LEU 120 14.870 -9.322 -2.520 867 HD12 LEU 120 2HD1 LEU 120 14.715 -9.807 -0.832 868 HD13 LEU 120 3HD1 LEU 120 14.116 -8.233 -1.355 869 HD21 LEU 120 1HD2 LEU 120 13.940 -11.205 -3.255 870 HD22 LEU 120 2HD2 LEU 120 12.787 -10.144 -4.064 871 HD23 LEU 120 3HD2 LEU 120 12.210 -11.527 -3.132 872 H SER 121 H SER 121 11.301 -10.459 1.861 873 HA SER 121 HA SER 121 11.295 -12.957 2.964 874 HB2 SER 121 1HB SER 121 11.619 -10.588 4.047 875 HB3 SER 121 2HB SER 121 9.908 -10.747 4.444 876 HG SER 121 HG SER 121 10.654 -11.818 6.096 877 H ALA 122 H ALA 122 8.457 -10.878 2.459 878 HA ALA 122 HA ALA 122 6.569 -12.687 3.525 879 HB1 ALA 122 1HB ALA 122 6.445 -10.235 1.852 880 HB2 ALA 122 2HB ALA 122 5.015 -11.266 1.924 881 HB3 ALA 122 3HB ALA 122 5.688 -10.587 3.406 882 H LEU 123 H LEU 123 7.668 -12.079 0.206 883 HA LEU 123 HA LEU 123 5.943 -13.701 -1.197 884 HB2 LEU 123 1HB LEU 123 7.999 -12.204 -1.912 885 HB3 LEU 123 2HB LEU 123 8.827 -13.759 -1.925 886 HG LEU 123 HG LEU 123 8.134 -13.296 -4.151 887 HD11 LEU 123 1HD1 LEU 123 6.370 -15.112 -4.492 888 HD12 LEU 123 2HD1 LEU 123 6.442 -15.335 -2.744 889 HD13 LEU 123 3HD1 LEU 123 7.887 -15.581 -3.724 890 HD21 LEU 123 1HD2 LEU 123 5.402 -13.215 -4.260 891 HD22 LEU 123 2HD2 LEU 123 6.471 -11.816 -4.369 892 HD23 LEU 123 3HD2 LEU 123 5.749 -12.257 -2.821 893 H ARG 124 H ARG 124 9.158 -14.680 0.008 894 HA ARG 124 HA ARG 124 8.924 -17.391 -0.607 895 HB2 ARG 124 1HB ARG 124 10.717 -17.731 1.075 896 HB3 ARG 124 2HB ARG 124 11.064 -16.422 -0.046 897 HG2 ARG 124 1HG ARG 124 10.289 -14.812 1.673 898 HG3 ARG 124 2HG ARG 124 10.104 -16.162 2.794 899 HD2 ARG 124 1HD ARG 124 12.602 -16.636 2.080 900 HD3 ARG 124 2HD ARG 124 12.575 -14.914 1.703 901 HE ARG 124 HE ARG 124 12.548 -14.457 3.947 902 HH11 ARG 124 2HH1 ARG 124 11.760 -17.811 3.450 903 HH12 ARG 124 1HH1 ARG 124 11.825 -18.210 5.135 904 HH21 ARG 124 2HH2 ARG 124 12.636 -14.970 6.167 905 HH22 ARG 124 1HH2 ARG 124 12.322 -16.593 6.680 906 H SER 125 H SER 125 8.035 -15.624 2.326 907 HA SER 125 HA SER 125 7.316 -17.879 3.864 908 HB2 SER 125 1HB SER 125 6.852 -14.943 4.037 909 HB3 SER 125 2HB SER 125 5.796 -15.986 4.989 910 HG SER 125 HG SER 125 8.632 -15.894 5.069 911 H GLY 126 H GLY 126 5.677 -16.104 1.375 912 HA2 GLY 126 1HA GLY 126 3.022 -16.900 2.001 913 HA3 GLY 126 2HA GLY 126 3.583 -16.304 0.446 914 HA PRO 127 HA PRO 127 2.359 -20.682 -0.222 915 HB2 PRO 127 1HB PRO 127 1.322 -20.237 -2.691 916 HB3 PRO 127 2HB PRO 127 0.399 -19.994 -1.204 917 HG2 PRO 127 1HG PRO 127 1.807 -17.977 -2.909 918 HG3 PRO 127 2HG PRO 127 0.209 -17.878 -2.149 919 HD2 PRO 127 1HD PRO 127 2.398 -16.679 -1.100 920 HD3 PRO 127 2HD PRO 127 1.083 -17.316 -0.091 921 H SER 128 H SER 128 4.554 -18.512 -1.578 922 HA SER 128 HA SER 128 5.447 -20.064 -3.799 923 HB2 SER 128 1HB SER 128 5.845 -17.641 -3.673 924 HB3 SER 128 2HB SER 128 6.874 -17.879 -2.260 925 HG SER 128 HG SER 128 8.119 -17.720 -4.151 926 H SER 129 H SER 129 6.093 -22.096 -3.366 927 HA SER 129 HA SER 129 7.152 -23.858 -2.343 928 HB2 SER 129 1HB SER 129 9.605 -23.579 -2.272 929 HB3 SER 129 2HB SER 129 8.921 -22.934 -3.763 930 HG SER 129 HG SER 129 10.516 -21.656 -2.283 931 H GLY 130 H GLY 130 5.676 -22.509 -0.460 932 HA2 GLY 130 1HA GLY 130 7.095 -23.206 1.941 933 HA3 GLY 130 2HA GLY 130 6.843 -21.474 1.780 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.436 35.777 -11.786 2 HA2 GLY 1 1HA GLY 1 -10.878 34.907 -9.094 3 HA3 GLY 1 2HA GLY 1 -11.501 34.146 -10.550 4 H SER 2 H SER 2 -10.608 32.663 -8.381 5 HA SER 2 HA SER 2 -7.923 31.739 -9.021 6 HB2 SER 2 1HB SER 2 -8.467 31.944 -6.667 7 HB3 SER 2 2HB SER 2 -9.877 30.904 -6.865 8 HG SER 2 HG SER 2 -7.933 29.869 -6.017 9 H SER 3 H SER 3 -7.674 30.327 -10.612 10 HA SER 3 HA SER 3 -9.822 28.395 -11.154 11 HB2 SER 3 1HB SER 3 -9.337 29.678 -13.106 12 HB3 SER 3 2HB SER 3 -7.598 29.478 -12.888 13 HG SER 3 HG SER 3 -8.949 28.056 -14.444 14 H GLY 4 H GLY 4 -9.499 26.524 -10.136 15 HA2 GLY 4 1HA GLY 4 -6.773 25.566 -9.686 16 HA3 GLY 4 2HA GLY 4 -8.236 24.912 -8.964 17 H SER 5 H SER 5 -6.939 22.919 -9.652 18 HA SER 5 HA SER 5 -6.529 21.184 -11.098 19 HB2 SER 5 1HB SER 5 -9.376 21.902 -11.837 20 HB3 SER 5 2HB SER 5 -8.587 20.373 -12.224 21 HG SER 5 HG SER 5 -9.830 21.061 -9.980 22 H SER 6 H SER 6 -5.436 23.514 -12.109 23 HA SER 6 HA SER 6 -5.986 23.289 -14.996 24 HB2 SER 6 1HB SER 6 -5.108 25.595 -15.205 25 HB3 SER 6 2HB SER 6 -6.520 25.519 -14.151 26 HG SER 6 HG SER 6 -3.889 25.384 -13.130 27 H GLY 7 H GLY 7 -4.324 21.433 -13.822 28 HA2 GLY 7 1HA GLY 7 -2.139 21.272 -15.394 29 HA3 GLY 7 2HA GLY 7 -1.573 22.295 -14.082 30 H ALA 8 H ALA 8 -3.062 21.040 -11.996 31 HA ALA 8 HA ALA 8 -1.327 19.211 -10.992 32 HB1 ALA 8 1HB ALA 8 -3.321 18.287 -9.701 33 HB2 ALA 8 2HB ALA 8 -2.991 20.013 -9.547 34 HB3 ALA 8 3HB ALA 8 -4.293 19.454 -10.597 35 H VAL 9 H VAL 9 -1.510 16.864 -10.667 36 HA VAL 9 HA VAL 9 -2.767 15.470 -12.933 37 HB VAL 9 HB VAL 9 -0.153 15.866 -13.016 38 HG11 VAL 9 1HG1 VAL 9 1.182 14.415 -11.850 39 HG12 VAL 9 2HG1 VAL 9 -0.107 14.669 -10.672 40 HG13 VAL 9 3HG1 VAL 9 -0.095 13.213 -11.668 41 HG21 VAL 9 1HG2 VAL 9 -1.856 14.321 -14.373 42 HG22 VAL 9 2HG2 VAL 9 -0.113 14.280 -14.640 43 HG23 VAL 9 3HG2 VAL 9 -0.878 13.060 -13.621 44 H SER 10 H SER 10 -2.388 12.943 -12.473 45 HA SER 10 HA SER 10 -4.127 12.001 -10.726 46 HB2 SER 10 1HB SER 10 -1.503 10.915 -11.609 47 HB3 SER 10 2HB SER 10 -2.297 10.094 -10.266 48 HG SER 10 HG SER 10 -3.043 10.279 -12.935 49 H GLY 11 H GLY 11 -0.736 12.546 -9.751 50 HA2 GLY 11 1HA GLY 11 -1.314 13.764 -7.310 51 HA3 GLY 11 2HA GLY 11 -1.183 12.038 -7.005 52 H LEU 12 H LEU 12 0.761 11.342 -6.443 53 HA LEU 12 HA LEU 12 3.078 13.042 -7.020 54 HB2 LEU 12 1HB LEU 12 2.947 10.695 -5.142 55 HB3 LEU 12 2HB LEU 12 4.191 11.941 -5.223 56 HG LEU 12 HG LEU 12 1.340 12.474 -4.401 57 HD11 LEU 12 1HD1 LEU 12 3.475 12.533 -2.381 58 HD12 LEU 12 2HD1 LEU 12 3.027 10.931 -2.965 59 HD13 LEU 12 3HD1 LEU 12 1.803 11.985 -2.257 60 HD21 LEU 12 1HD2 LEU 12 1.922 14.613 -4.414 61 HD22 LEU 12 2HD2 LEU 12 3.474 14.165 -5.122 62 HD23 LEU 12 3HD2 LEU 12 3.304 14.277 -3.370 63 H TYR 13 H TYR 13 1.976 9.684 -7.246 64 HA TYR 13 HA TYR 13 4.360 8.910 -8.710 65 HB2 TYR 13 1HB TYR 13 1.883 7.297 -8.068 66 HB3 TYR 13 2HB TYR 13 3.402 6.665 -8.693 67 HD1 TYR 13 2HD TYR 13 1.963 8.477 -5.775 68 HD2 TYR 13 1HD TYR 13 5.057 5.939 -7.220 69 HE1 TYR 13 2HE TYR 13 2.771 8.161 -3.474 70 HE2 TYR 13 1HE TYR 13 5.873 5.615 -4.923 71 HH TYR 13 HH TYR 13 5.776 6.557 -2.784 72 H SER 14 H SER 14 3.711 7.300 -10.647 73 HA SER 14 HA SER 14 1.532 8.004 -12.290 74 HB2 SER 14 1HB SER 14 4.060 9.552 -12.656 75 HB3 SER 14 2HB SER 14 3.164 9.067 -14.095 76 HG SER 14 HG SER 14 1.446 10.254 -13.439 77 H SER 15 H SER 15 2.220 7.408 -14.741 78 HA SER 15 HA SER 15 2.727 4.658 -14.722 79 HB2 SER 15 1HB SER 15 1.591 6.124 -16.533 80 HB3 SER 15 2HB SER 15 3.225 6.366 -17.150 81 HG SER 15 HG SER 15 2.592 4.589 -18.194 82 H SER 16 H SER 16 4.850 7.368 -15.596 83 HA SER 16 HA SER 16 7.077 6.165 -16.517 84 HB2 SER 16 1HB SER 16 6.783 8.459 -14.593 85 HB3 SER 16 2HB SER 16 8.379 7.919 -15.116 86 HG SER 16 HG SER 16 7.498 9.598 -16.438 87 H ASP 17 H ASP 17 6.345 6.546 -13.052 88 HA ASP 17 HA ASP 17 8.575 5.019 -12.181 89 HB2 ASP 17 1HB ASP 17 7.024 4.886 -10.035 90 HB3 ASP 17 2HB ASP 17 7.833 6.384 -10.489 91 H ASP 18 H ASP 18 8.514 2.951 -11.101 92 HA ASP 18 HA ASP 18 7.073 1.000 -12.599 93 HB2 ASP 18 1HB ASP 18 8.770 0.727 -10.109 94 HB3 ASP 18 2HB ASP 18 8.147 -0.626 -11.049 95 H VAL 19 H VAL 19 6.344 2.823 -9.829 96 HA VAL 19 HA VAL 19 4.734 1.017 -8.386 97 HB VAL 19 HB VAL 19 4.585 4.028 -8.564 98 HG11 VAL 19 1HG1 VAL 19 2.800 4.029 -7.237 99 HG12 VAL 19 2HG1 VAL 19 2.657 2.296 -7.540 100 HG13 VAL 19 3HG1 VAL 19 3.547 2.876 -6.131 101 HG21 VAL 19 1HG2 VAL 19 6.591 2.531 -7.541 102 HG22 VAL 19 2HG2 VAL 19 6.151 4.132 -6.946 103 HG23 VAL 19 3HG2 VAL 19 5.549 2.690 -6.127 104 H ILE 20 H ILE 20 2.693 0.331 -8.646 105 HA ILE 20 HA ILE 20 1.297 1.098 -11.080 106 HB ILE 20 HB ILE 20 0.773 -1.070 -9.050 107 HG12 ILE 20 1HG1 ILE 20 1.435 -1.314 -11.985 108 HG13 ILE 20 2HG1 ILE 20 2.671 -1.280 -10.733 109 HG21 ILE 20 1HG2 ILE 20 -1.340 -0.141 -9.949 110 HG22 ILE 20 2HG2 ILE 20 -0.777 -0.520 -11.576 111 HG23 ILE 20 3HG2 ILE 20 -1.064 -1.818 -10.417 112 HD11 ILE 20 1HD1 ILE 20 1.780 -3.290 -9.748 113 HD12 ILE 20 2HD1 ILE 20 0.450 -3.300 -10.906 114 HD13 ILE 20 3HD1 ILE 20 2.104 -3.553 -11.462 115 H GLU 21 H GLU 21 -0.239 2.590 -11.108 116 HA GLU 21 HA GLU 21 -1.169 3.880 -8.766 117 HB2 GLU 21 1HB GLU 21 -1.001 4.881 -11.085 118 HB3 GLU 21 2HB GLU 21 -2.459 3.988 -11.492 119 HG2 GLU 21 1HG GLU 21 -3.393 5.969 -10.917 120 HG3 GLU 21 2HG GLU 21 -3.375 5.198 -9.332 121 H LEU 22 H LEU 22 -2.203 2.519 -7.366 122 HA LEU 22 HA LEU 22 -4.308 0.761 -8.265 123 HB2 LEU 22 1HB LEU 22 -3.141 1.428 -5.582 124 HB3 LEU 22 2HB LEU 22 -4.584 0.429 -5.740 125 HG LEU 22 HG LEU 22 -1.858 -0.212 -6.868 126 HD11 LEU 22 1HD1 LEU 22 -1.464 -1.535 -5.075 127 HD12 LEU 22 2HD1 LEU 22 -3.171 -1.898 -4.824 128 HD13 LEU 22 3HD1 LEU 22 -2.508 -0.356 -4.282 129 HD21 LEU 22 1HD2 LEU 22 -4.546 -1.429 -7.190 130 HD22 LEU 22 2HD2 LEU 22 -3.168 -2.516 -7.013 131 HD23 LEU 22 3HD2 LEU 22 -3.198 -1.336 -8.324 132 H THR 23 H THR 23 -6.453 1.105 -8.184 133 HA THR 23 HA THR 23 -7.431 3.516 -6.811 134 HB THR 23 HB THR 23 -8.606 4.309 -8.614 135 HG1 THR 23 1HG THR 23 -8.568 1.645 -9.618 136 HG21 THR 23 1HG2 THR 23 -6.925 3.153 -10.631 137 HG22 THR 23 2HG2 THR 23 -5.972 3.494 -9.187 138 HG23 THR 23 3HG2 THR 23 -6.895 4.783 -9.959 139 HA PRO 24 HA PRO 24 -10.663 1.043 -5.169 140 HB2 PRO 24 1HB PRO 24 -12.791 2.727 -5.245 141 HB3 PRO 24 2HB PRO 24 -11.446 2.929 -4.116 142 HG2 PRO 24 1HG PRO 24 -11.965 4.324 -6.713 143 HG3 PRO 24 2HG PRO 24 -11.402 5.000 -5.173 144 HD2 PRO 24 1HD PRO 24 -9.723 4.461 -7.227 145 HD3 PRO 24 2HD PRO 24 -9.227 4.326 -5.528 146 H SER 25 H SER 25 -10.347 1.362 -8.298 147 HA SER 25 HA SER 25 -12.978 0.202 -8.945 148 HB2 SER 25 1HB SER 25 -11.260 2.144 -10.405 149 HB3 SER 25 2HB SER 25 -12.133 0.955 -11.372 150 HG SER 25 HG SER 25 -13.966 1.899 -10.893 151 H ASN 26 H ASN 26 -9.552 -0.170 -9.023 152 HA ASN 26 HA ASN 26 -9.885 -2.770 -10.366 153 HB2 ASN 26 1HB ASN 26 -7.328 -2.288 -10.941 154 HB3 ASN 26 2HB ASN 26 -8.635 -1.726 -11.979 155 HD21 ASN 26 1HD2 ASN 26 -5.999 -0.846 -10.041 156 HD22 ASN 26 2HD2 ASN 26 -6.175 0.868 -10.160 157 H PHE 27 H PHE 27 -8.838 -1.057 -7.637 158 HA PHE 27 HA PHE 27 -6.714 -2.291 -6.553 159 HB2 PHE 27 1HB PHE 27 -8.158 -0.602 -5.408 160 HB3 PHE 27 2HB PHE 27 -9.299 -1.890 -5.035 161 HD1 PHE 27 1HD PHE 27 -8.238 -3.968 -3.806 162 HD2 PHE 27 2HD PHE 27 -6.581 -0.047 -3.837 163 HE1 PHE 27 1HE PHE 27 -6.986 -4.485 -1.753 164 HE2 PHE 27 2HE PHE 27 -5.325 -0.559 -1.784 165 HZ PHE 27 HZ PHE 27 -5.525 -2.780 -0.740 166 H ASN 28 H ASN 28 -9.792 -3.772 -7.198 167 HA ASN 28 HA ASN 28 -9.156 -6.168 -5.689 168 HB2 ASN 28 1HB ASN 28 -11.485 -5.284 -5.820 169 HB3 ASN 28 2HB ASN 28 -11.489 -5.647 -7.544 170 HD21 ASN 28 1HD2 ASN 28 -11.200 -7.884 -8.172 171 HD22 ASN 28 2HD2 ASN 28 -11.784 -9.134 -7.131 172 H ARG 29 H ARG 29 -9.437 -5.156 -9.065 173 HA ARG 29 HA ARG 29 -8.780 -7.773 -10.075 174 HB2 ARG 29 1HB ARG 29 -9.339 -5.096 -11.282 175 HB3 ARG 29 2HB ARG 29 -8.517 -6.309 -12.254 176 HG2 ARG 29 1HG ARG 29 -10.752 -6.603 -12.791 177 HG3 ARG 29 2HG ARG 29 -10.452 -7.860 -11.589 178 HD2 ARG 29 1HD ARG 29 -11.700 -6.812 -9.980 179 HD3 ARG 29 2HD ARG 29 -11.405 -5.206 -10.646 180 HE ARG 29 HE ARG 29 -13.034 -6.913 -12.306 181 HH11 ARG 29 2HH1 ARG 29 -12.991 -4.559 -9.740 182 HH12 ARG 29 1HH1 ARG 29 -14.629 -4.058 -9.996 183 HH21 ARG 29 2HH2 ARG 29 -15.193 -6.261 -12.652 184 HH22 ARG 29 1HH2 ARG 29 -15.881 -5.027 -11.652 185 H GLU 30 H GLU 30 -6.999 -5.367 -8.665 186 HA GLU 30 HA GLU 30 -4.593 -5.969 -10.245 187 HB2 GLU 30 1HB GLU 30 -5.469 -3.615 -8.646 188 HB3 GLU 30 2HB GLU 30 -3.748 -3.972 -8.693 189 HG2 GLU 30 1HG GLU 30 -5.346 -3.786 -11.214 190 HG3 GLU 30 2HG GLU 30 -4.726 -2.341 -10.418 191 H VAL 31 H VAL 31 -5.714 -5.608 -6.890 192 HA VAL 31 HA VAL 31 -3.387 -7.144 -5.979 193 HB VAL 31 HB VAL 31 -5.405 -5.553 -4.390 194 HG11 VAL 31 1HG1 VAL 31 -4.656 -7.332 -3.009 195 HG12 VAL 31 2HG1 VAL 31 -2.984 -7.127 -3.537 196 HG13 VAL 31 3HG1 VAL 31 -3.748 -5.899 -2.527 197 HG21 VAL 31 1HG2 VAL 31 -3.838 -3.854 -4.221 198 HG22 VAL 31 2HG2 VAL 31 -2.494 -4.910 -4.654 199 HG23 VAL 31 3HG2 VAL 31 -3.638 -4.389 -5.890 200 H ILE 32 H ILE 32 -6.828 -6.941 -5.053 201 HA ILE 32 HA ILE 32 -7.063 -9.353 -3.770 202 HB ILE 32 HB ILE 32 -9.179 -8.141 -5.551 203 HG12 ILE 32 1HG1 ILE 32 -8.304 -6.497 -3.954 204 HG13 ILE 32 2HG1 ILE 32 -9.945 -6.973 -3.529 205 HG21 ILE 32 1HG2 ILE 32 -9.913 -9.540 -3.071 206 HG22 ILE 32 2HG2 ILE 32 -10.676 -9.565 -4.660 207 HG23 ILE 32 3HG2 ILE 32 -9.254 -10.560 -4.350 208 HD11 ILE 32 1HD1 ILE 32 -9.180 -8.310 -1.733 209 HD12 ILE 32 2HD1 ILE 32 -7.502 -8.168 -2.257 210 HD13 ILE 32 3HD1 ILE 32 -8.348 -6.760 -1.617 211 H GLN 33 H GLN 33 -7.066 -8.730 -7.225 212 HA GLN 33 HA GLN 33 -7.593 -11.545 -7.799 213 HB2 GLN 33 1HB GLN 33 -7.417 -9.084 -9.527 214 HB3 GLN 33 2HB GLN 33 -7.482 -10.703 -10.212 215 HG2 GLN 33 1HG GLN 33 -9.587 -9.123 -8.862 216 HG3 GLN 33 2HG GLN 33 -9.688 -10.193 -10.260 217 HE21 GLN 33 1HE2 GLN 33 -10.086 -9.888 -6.895 218 HE22 GLN 33 2HE2 GLN 33 -10.542 -11.521 -6.563 219 H SER 34 H SER 34 -5.105 -10.699 -6.523 220 HA SER 34 HA SER 34 -3.235 -11.719 -8.553 221 HB2 SER 34 1HB SER 34 -2.777 -9.350 -8.335 222 HB3 SER 34 2HB SER 34 -2.727 -9.482 -6.577 223 HG SER 34 HG SER 34 -0.786 -10.003 -8.416 224 H ASP 35 H ASP 35 -3.468 -13.798 -7.657 225 HA ASP 35 HA ASP 35 -3.356 -14.598 -5.050 226 HB2 ASP 35 1HB ASP 35 -2.486 -15.830 -7.613 227 HB3 ASP 35 2HB ASP 35 -1.937 -16.596 -6.125 228 H GLY 36 H GLY 36 -0.763 -13.328 -6.988 229 HA2 GLY 36 1HA GLY 36 1.410 -14.236 -5.417 230 HA3 GLY 36 2HA GLY 36 1.437 -12.867 -6.518 231 H LEU 37 H LEU 37 2.688 -11.609 -5.126 232 HA LEU 37 HA LEU 37 1.405 -10.833 -2.595 233 HB2 LEU 37 1HB LEU 37 3.854 -11.751 -2.813 234 HB3 LEU 37 2HB LEU 37 4.210 -10.092 -3.288 235 HG LEU 37 HG LEU 37 3.065 -9.436 -1.077 236 HD11 LEU 37 1HD1 LEU 37 3.889 -11.792 0.290 237 HD12 LEU 37 2HD1 LEU 37 2.740 -12.241 -0.970 238 HD13 LEU 37 3HD1 LEU 37 2.295 -11.039 0.242 239 HD21 LEU 37 1HD2 LEU 37 5.279 -10.285 0.139 240 HD22 LEU 37 2HD2 LEU 37 5.283 -8.960 -1.024 241 HD23 LEU 37 3HD2 LEU 37 5.758 -10.581 -1.532 242 H TRP 38 H TRP 38 0.990 -8.703 -2.134 243 HA TRP 38 HA TRP 38 1.628 -6.716 -4.201 244 HB2 TRP 38 1HB TRP 38 -1.039 -7.617 -3.325 245 HB3 TRP 38 2HB TRP 38 -0.829 -5.869 -3.376 246 HD1 TRP 38 HD TRP 38 -1.063 -8.925 -5.634 247 HE1 TRP 38 1HE TRP 38 -1.295 -8.142 -8.075 248 HE3 TRP 38 3HE TRP 38 -0.191 -3.931 -4.973 249 HZ2 TRP 38 2HZ TRP 38 -1.130 -5.728 -9.528 250 HZ3 TRP 38 3HZ TRP 38 -0.246 -2.453 -6.940 251 HH2 TRP 38 HH TRP 38 -0.705 -3.335 -9.169 252 H LEU 39 H LEU 39 2.258 -4.774 -3.437 253 HA LEU 39 HA LEU 39 2.057 -4.343 -0.528 254 HB2 LEU 39 1HB LEU 39 4.279 -3.993 -2.449 255 HB3 LEU 39 2HB LEU 39 4.114 -2.762 -1.198 256 HG LEU 39 HG LEU 39 4.355 -5.711 -0.622 257 HD11 LEU 39 1HD1 LEU 39 6.585 -5.602 -0.704 258 HD12 LEU 39 2HD1 LEU 39 6.628 -3.994 0.018 259 HD13 LEU 39 3HD1 LEU 39 6.337 -4.175 -1.712 260 HD21 LEU 39 1HD2 LEU 39 5.178 -4.571 1.596 261 HD22 LEU 39 2HD2 LEU 39 3.458 -4.806 1.283 262 HD23 LEU 39 3HD2 LEU 39 4.196 -3.226 1.014 263 H VAL 40 H VAL 40 0.335 -3.012 -0.345 264 HA VAL 40 HA VAL 40 0.167 -0.669 -2.102 265 HB VAL 40 HB VAL 40 -1.880 -1.743 -0.156 266 HG11 VAL 40 1HG1 VAL 40 -2.150 0.631 -0.471 267 HG12 VAL 40 2HG1 VAL 40 -2.042 0.448 -2.223 268 HG13 VAL 40 3HG1 VAL 40 -3.424 -0.216 -1.349 269 HG21 VAL 40 1HG2 VAL 40 -2.396 -3.235 -1.717 270 HG22 VAL 40 2HG2 VAL 40 -2.785 -1.912 -2.817 271 HG23 VAL 40 3HG2 VAL 40 -1.157 -2.589 -2.793 272 H GLU 41 H GLU 41 0.608 1.320 -1.392 273 HA GLU 41 HA GLU 41 0.885 1.727 1.514 274 HB2 GLU 41 1HB GLU 41 3.090 1.805 0.723 275 HB3 GLU 41 2HB GLU 41 2.628 2.641 -0.754 276 HG2 GLU 41 1HG GLU 41 2.316 4.686 0.391 277 HG3 GLU 41 2HG GLU 41 2.418 3.899 1.964 278 H PHE 42 H PHE 42 -0.577 3.091 2.273 279 HA PHE 42 HA PHE 42 -1.991 4.883 0.494 280 HB2 PHE 42 1HB PHE 42 -2.294 4.425 3.469 281 HB3 PHE 42 2HB PHE 42 -3.379 5.384 2.468 282 HD1 PHE 42 1HD PHE 42 -2.090 1.962 3.023 283 HD2 PHE 42 2HD PHE 42 -5.120 4.378 1.262 284 HE1 PHE 42 1HE PHE 42 -3.407 -0.057 2.527 285 HE2 PHE 42 2HE PHE 42 -6.442 2.364 0.765 286 HZ PHE 42 HZ PHE 42 -5.587 0.143 1.398 287 H TYR 43 H TYR 43 -0.792 6.613 -0.082 288 HA TYR 43 HA TYR 43 0.549 8.140 2.043 289 HB2 TYR 43 1HB TYR 43 1.956 9.089 0.350 290 HB3 TYR 43 2HB TYR 43 1.921 7.348 0.093 291 HD1 TYR 43 1HD TYR 43 0.551 10.567 -1.130 292 HD2 TYR 43 2HD TYR 43 1.168 6.438 -1.951 293 HE1 TYR 43 1HE TYR 43 -0.145 10.932 -3.461 294 HE2 TYR 43 2HE TYR 43 0.475 6.792 -4.285 295 HH TYR 43 HH TYR 43 -0.374 10.025 -5.478 296 H ALA 44 H ALA 44 0.722 10.600 1.186 297 HA ALA 44 HA ALA 44 -1.919 11.495 0.287 298 HB1 ALA 44 1HB ALA 44 -0.660 12.090 2.924 299 HB2 ALA 44 2HB ALA 44 -1.664 13.315 2.147 300 HB3 ALA 44 3HB ALA 44 -2.343 11.734 2.533 301 HA PRO 45 HA PRO 45 0.835 14.026 -2.140 302 HB2 PRO 45 1HB PRO 45 -1.118 15.286 -3.542 303 HB3 PRO 45 2HB PRO 45 -0.597 13.634 -3.893 304 HG2 PRO 45 1HG PRO 45 -2.972 14.580 -2.335 305 HG3 PRO 45 2HG PRO 45 -2.866 13.275 -3.531 306 HD2 PRO 45 1HD PRO 45 -2.864 12.811 -0.863 307 HD3 PRO 45 2HD PRO 45 -1.981 11.785 -2.011 308 H TRP 46 H TRP 46 -0.994 14.884 0.436 309 HA TRP 46 HA TRP 46 -0.430 17.756 0.091 310 HB2 TRP 46 1HB TRP 46 -2.233 18.148 1.760 311 HB3 TRP 46 2HB TRP 46 -2.813 17.377 0.286 312 HD1 TRP 46 HD TRP 46 -4.244 15.273 0.616 313 HE1 TRP 46 1HE TRP 46 -4.744 13.681 2.576 314 HE3 TRP 46 3HE TRP 46 -0.937 17.138 4.040 315 HZ2 TRP 46 2HZ TRP 46 -3.854 13.271 5.223 316 HZ3 TRP 46 3HZ TRP 46 -0.824 16.089 6.263 317 HH2 TRP 46 HH TRP 46 -2.254 14.196 6.840 318 H CYS 47 H CYS 47 0.131 14.932 1.967 319 HA CYS 47 HA CYS 47 1.045 16.298 4.325 320 HB2 CYS 47 1HB CYS 47 0.155 13.803 3.945 321 HB3 CYS 47 2HB CYS 47 1.879 13.496 3.774 322 HG CYS 47 HG CYS 47 0.168 13.657 6.495 323 H GLY 48 H GLY 48 3.351 15.470 5.126 324 HA2 GLY 48 1HA GLY 48 5.223 16.363 3.037 325 HA3 GLY 48 2HA GLY 48 5.498 16.479 4.769 326 H HIS 49 H HIS 49 5.573 14.298 5.915 327 HA HIS 49 HA HIS 49 7.738 12.840 5.125 328 HB2 HIS 49 1HB HIS 49 6.713 10.948 6.526 329 HB3 HIS 49 2HB HIS 49 6.982 12.493 7.327 330 HD1 HIS 49 1HD HIS 49 5.124 12.773 8.933 331 HD2 HIS 49 2HD HIS 49 3.801 11.296 5.282 332 HE1 HIS 49 1HE HIS 49 2.620 12.649 9.125 333 HE2 HIS 49 2HE HIS 49 1.848 11.673 6.935 334 H CYS 50 H CYS 50 4.538 12.666 3.861 335 HA CYS 50 HA CYS 50 4.846 10.068 2.658 336 HB2 CYS 50 1HB CYS 50 2.757 12.223 2.523 337 HB3 CYS 50 2HB CYS 50 2.721 10.873 1.395 338 HG CYS 50 HG CYS 50 1.625 11.015 4.481 339 H GLN 51 H GLN 51 4.818 13.426 1.498 340 HA GLN 51 HA GLN 51 5.188 12.902 -1.216 341 HB2 GLN 51 1HB GLN 51 6.078 15.254 0.456 342 HB3 GLN 51 2HB GLN 51 6.168 15.215 -1.299 343 HG2 GLN 51 1HG GLN 51 3.804 15.099 -1.500 344 HG3 GLN 51 2HG GLN 51 3.611 14.835 0.232 345 HE21 GLN 51 1HE2 GLN 51 2.113 16.672 -0.070 346 HE22 GLN 51 2HE2 GLN 51 2.755 18.271 0.057 347 H ARG 52 H ARG 52 7.436 12.839 1.434 348 HA ARG 52 HA ARG 52 9.759 12.772 -0.302 349 HB2 ARG 52 1HB ARG 52 11.053 12.945 1.614 350 HB3 ARG 52 2HB ARG 52 9.590 13.799 2.084 351 HG2 ARG 52 1HG ARG 52 8.824 11.949 3.366 352 HG3 ARG 52 2HG ARG 52 10.093 10.905 2.723 353 HD2 ARG 52 1HD ARG 52 11.788 12.184 3.856 354 HD3 ARG 52 2HD ARG 52 10.595 13.372 4.380 355 HE ARG 52 HE ARG 52 9.654 11.092 5.453 356 HH11 ARG 52 2HH1 ARG 52 12.803 12.577 5.476 357 HH12 ARG 52 1HH1 ARG 52 13.238 11.933 7.024 358 HH21 ARG 52 2HH2 ARG 52 10.216 10.239 7.492 359 HH22 ARG 52 1HH2 ARG 52 11.767 10.603 8.170 360 H LEU 53 H LEU 53 7.454 10.585 0.606 361 HA LEU 53 HA LEU 53 9.281 8.303 0.730 362 HB2 LEU 53 1HB LEU 53 7.375 8.561 2.346 363 HB3 LEU 53 2HB LEU 53 6.280 8.304 0.988 364 HG LEU 53 HG LEU 53 7.266 6.056 0.670 365 HD11 LEU 53 1HD1 LEU 53 8.722 5.109 2.333 366 HD12 LEU 53 2HD1 LEU 53 8.689 6.602 3.270 367 HD13 LEU 53 3HD1 LEU 53 9.463 6.573 1.686 368 HD21 LEU 53 1HD2 LEU 53 6.191 5.029 2.590 369 HD22 LEU 53 2HD2 LEU 53 5.227 6.382 1.998 370 HD23 LEU 53 3HD2 LEU 53 6.212 6.569 3.450 371 H THR 54 H THR 54 8.042 10.076 -1.642 372 HA THR 54 HA THR 54 6.787 8.201 -3.351 373 HB THR 54 HB THR 54 8.315 10.440 -4.568 374 HG1 THR 54 1HG THR 54 7.351 11.951 -3.437 375 HG21 THR 54 1HG2 THR 54 6.116 8.781 -5.227 376 HG22 THR 54 2HG2 THR 54 6.843 10.063 -6.195 377 HG23 THR 54 3HG2 THR 54 5.511 10.432 -5.100 378 HA PRO 55 HA PRO 55 11.181 7.842 -5.378 379 HB2 PRO 55 1HB PRO 55 13.277 8.657 -3.859 380 HB3 PRO 55 2HB PRO 55 12.424 9.731 -4.973 381 HG2 PRO 55 1HG PRO 55 12.123 9.452 -2.008 382 HG3 PRO 55 2HG PRO 55 12.181 10.925 -2.993 383 HD2 PRO 55 1HD PRO 55 9.859 9.877 -2.075 384 HD3 PRO 55 2HD PRO 55 9.970 10.743 -3.620 385 H GLU 56 H GLU 56 11.073 7.523 -1.847 386 HA GLU 56 HA GLU 56 12.796 5.276 -1.707 387 HB2 GLU 56 1HB GLU 56 10.730 6.371 0.199 388 HB3 GLU 56 2HB GLU 56 11.735 4.979 0.578 389 HG2 GLU 56 1HG GLU 56 13.657 6.234 0.729 390 HG3 GLU 56 2HG GLU 56 13.019 7.527 -0.284 391 H TRP 57 H TRP 57 9.263 5.604 -1.746 392 HA TRP 57 HA TRP 57 8.729 2.828 -1.532 393 HB2 TRP 57 1HB TRP 57 7.102 4.680 -1.029 394 HB3 TRP 57 2HB TRP 57 6.943 4.932 -2.765 395 HD1 TRP 57 HD TRP 57 4.812 3.848 -3.647 396 HE1 TRP 57 1HE TRP 57 3.455 1.725 -3.122 397 HE3 TRP 57 3HE TRP 57 7.675 1.973 0.152 398 HZ2 TRP 57 2HZ TRP 57 3.581 -0.456 -1.334 399 HZ3 TRP 57 3HZ TRP 57 6.987 -0.136 1.216 400 HH2 TRP 57 HH TRP 57 4.982 -1.323 0.488 401 H LYS 58 H LYS 58 9.022 5.033 -4.284 402 HA LYS 58 HA LYS 58 8.219 3.302 -6.314 403 HB2 LYS 58 1HB LYS 58 10.022 5.685 -6.199 404 HB3 LYS 58 2HB LYS 58 9.959 4.736 -7.678 405 HG2 LYS 58 1HG LYS 58 7.602 5.138 -7.901 406 HG3 LYS 58 2HG LYS 58 7.553 5.948 -6.333 407 HD2 LYS 58 1HD LYS 58 9.215 7.602 -7.286 408 HD3 LYS 58 2HD LYS 58 8.898 6.876 -8.863 409 HE2 LYS 58 1HE LYS 58 6.537 7.434 -8.660 410 HE3 LYS 58 2HE LYS 58 6.820 8.111 -7.057 411 HZ1 LYS 58 1HZ LYS 58 7.939 9.917 -7.925 412 HZ2 LYS 58 2HZ LYS 58 6.719 9.681 -9.072 413 HZ3 LYS 58 3HZ LYS 58 8.293 9.148 -9.390 414 H LYS 59 H LYS 59 11.518 3.939 -5.124 415 HA LYS 59 HA LYS 59 13.018 2.326 -6.698 416 HB2 LYS 59 1HB LYS 59 13.173 3.064 -3.822 417 HB3 LYS 59 2HB LYS 59 14.215 1.758 -4.370 418 HG2 LYS 59 1HG LYS 59 15.168 3.233 -6.072 419 HG3 LYS 59 2HG LYS 59 14.127 4.544 -5.512 420 HD2 LYS 59 1HD LYS 59 15.848 3.183 -3.508 421 HD3 LYS 59 2HD LYS 59 16.626 4.269 -4.661 422 HE2 LYS 59 1HE LYS 59 14.195 5.117 -3.125 423 HE3 LYS 59 2HE LYS 59 15.805 5.230 -2.414 424 HZ1 LYS 59 1HZ LYS 59 16.475 6.779 -3.993 425 HZ2 LYS 59 2HZ LYS 59 14.893 7.258 -3.631 426 HZ3 LYS 59 3HZ LYS 59 15.214 6.408 -5.058 427 H ALA 60 H ALA 60 11.355 1.219 -3.744 428 HA ALA 60 HA ALA 60 12.012 -1.484 -3.960 429 HB1 ALA 60 1HB ALA 60 10.656 0.017 -2.150 430 HB2 ALA 60 2HB ALA 60 9.349 -0.934 -2.858 431 HB3 ALA 60 3HB ALA 60 10.736 -1.745 -2.132 432 H ALA 61 H ALA 61 9.351 0.351 -5.372 433 HA ALA 61 HA ALA 61 7.902 -1.856 -6.380 434 HB1 ALA 61 1HB ALA 61 6.706 0.144 -6.243 435 HB2 ALA 61 2HB ALA 61 7.962 1.061 -7.075 436 HB3 ALA 61 3HB ALA 61 6.963 -0.081 -7.973 437 H THR 62 H THR 62 10.579 0.030 -7.642 438 HA THR 62 HA THR 62 10.469 -0.926 -10.305 439 HB THR 62 HB THR 62 12.901 0.069 -8.809 440 HG1 THR 62 1HG THR 62 10.725 1.380 -10.018 441 HG21 THR 62 1HG2 THR 62 12.399 0.326 -11.753 442 HG22 THR 62 2HG2 THR 62 13.108 -1.146 -11.089 443 HG23 THR 62 3HG2 THR 62 13.924 0.402 -10.873 444 H ALA 63 H ALA 63 12.273 -1.987 -7.443 445 HA ALA 63 HA ALA 63 13.608 -4.112 -8.831 446 HB1 ALA 63 1HB ALA 63 13.356 -3.387 -5.925 447 HB2 ALA 63 2HB ALA 63 14.215 -4.827 -6.473 448 HB3 ALA 63 3HB ALA 63 14.762 -3.228 -6.978 449 H LEU 64 H LEU 64 10.887 -3.917 -6.557 450 HA LEU 64 HA LEU 64 10.369 -6.759 -6.806 451 HB2 LEU 64 1HB LEU 64 8.630 -4.735 -5.427 452 HB3 LEU 64 2HB LEU 64 8.727 -6.471 -5.135 453 HG LEU 64 HG LEU 64 11.001 -4.590 -4.543 454 HD11 LEU 64 1HD1 LEU 64 9.652 -3.730 -2.969 455 HD12 LEU 64 2HD1 LEU 64 9.989 -5.236 -2.117 456 HD13 LEU 64 3HD1 LEU 64 8.510 -5.070 -3.064 457 HD21 LEU 64 1HD2 LEU 64 11.561 -6.961 -4.774 458 HD22 LEU 64 2HD2 LEU 64 10.341 -7.367 -3.567 459 HD23 LEU 64 3HD2 LEU 64 11.751 -6.409 -3.109 460 H LYS 65 H LYS 65 9.939 -4.448 -8.913 461 HA LYS 65 HA LYS 65 7.280 -4.215 -9.585 462 HB2 LYS 65 1HB LYS 65 8.664 -2.915 -10.899 463 HB3 LYS 65 2HB LYS 65 9.812 -4.219 -11.168 464 HG2 LYS 65 1HG LYS 65 8.139 -5.312 -12.643 465 HG3 LYS 65 2HG LYS 65 7.112 -3.888 -12.456 466 HD2 LYS 65 1HD LYS 65 9.939 -3.524 -13.333 467 HD3 LYS 65 2HD LYS 65 8.752 -4.114 -14.499 468 HE2 LYS 65 1HE LYS 65 8.235 -1.673 -12.832 469 HE3 LYS 65 2HE LYS 65 9.148 -1.579 -14.337 470 HZ1 LYS 65 1HZ LYS 65 7.246 -1.545 -15.439 471 HZ2 LYS 65 2HZ LYS 65 6.370 -1.656 -13.996 472 HZ3 LYS 65 3HZ LYS 65 6.828 -3.062 -14.818 473 H ASP 66 H ASP 66 9.530 -6.801 -10.510 474 HA ASP 66 HA ASP 66 7.335 -8.307 -11.709 475 HB2 ASP 66 1HB ASP 66 10.323 -8.550 -11.750 476 HB3 ASP 66 2HB ASP 66 9.330 -9.948 -12.152 477 H VAL 67 H VAL 67 9.195 -8.161 -8.822 478 HA VAL 67 HA VAL 67 8.622 -10.875 -8.003 479 HB VAL 67 HB VAL 67 9.583 -8.777 -6.101 480 HG11 VAL 67 1HG1 VAL 67 9.302 -10.866 -5.084 481 HG12 VAL 67 2HG1 VAL 67 9.970 -11.731 -6.470 482 HG13 VAL 67 3HG1 VAL 67 11.029 -10.780 -5.428 483 HG21 VAL 67 1HG2 VAL 67 10.962 -8.282 -7.955 484 HG22 VAL 67 2HG2 VAL 67 11.923 -9.323 -6.905 485 HG23 VAL 67 3HG2 VAL 67 11.168 -9.987 -8.354 486 H VAL 68 H VAL 68 7.943 -7.745 -6.432 487 HA VAL 68 HA VAL 68 5.318 -8.826 -5.633 488 HB VAL 68 HB VAL 68 7.131 -7.016 -4.032 489 HG11 VAL 68 1HG1 VAL 68 4.621 -6.556 -3.931 490 HG12 VAL 68 2HG1 VAL 68 4.491 -8.119 -3.122 491 HG13 VAL 68 3HG1 VAL 68 5.457 -6.830 -2.403 492 HG21 VAL 68 1HG2 VAL 68 6.433 -9.908 -3.906 493 HG22 VAL 68 2HG2 VAL 68 7.982 -9.109 -3.636 494 HG23 VAL 68 3HG2 VAL 68 6.727 -9.040 -2.399 495 H LYS 69 H LYS 69 3.711 -7.762 -6.563 496 HA LYS 69 HA LYS 69 3.987 -5.379 -8.007 497 HB2 LYS 69 1HB LYS 69 1.572 -6.804 -6.900 498 HB3 LYS 69 2HB LYS 69 1.435 -5.335 -7.857 499 HG2 LYS 69 1HG LYS 69 2.996 -7.633 -8.934 500 HG3 LYS 69 2HG LYS 69 1.232 -7.678 -8.982 501 HD2 LYS 69 1HD LYS 69 1.103 -5.822 -10.388 502 HD3 LYS 69 2HD LYS 69 2.739 -5.290 -9.990 503 HE2 LYS 69 1HE LYS 69 3.541 -7.427 -11.106 504 HE3 LYS 69 2HE LYS 69 1.899 -7.601 -11.723 505 HZ1 LYS 69 1HZ LYS 69 3.699 -6.391 -13.124 506 HZ2 LYS 69 2HZ LYS 69 3.326 -5.067 -12.141 507 HZ3 LYS 69 3HZ LYS 69 2.119 -5.788 -13.083 508 H VAL 70 H VAL 70 4.790 -3.639 -6.943 509 HA VAL 70 HA VAL 70 3.609 -2.836 -4.396 510 HB VAL 70 HB VAL 70 5.953 -1.707 -5.930 511 HG11 VAL 70 1HG1 VAL 70 4.615 -0.069 -4.516 512 HG12 VAL 70 2HG1 VAL 70 5.166 -0.996 -3.119 513 HG13 VAL 70 3HG1 VAL 70 6.339 -0.199 -4.168 514 HG21 VAL 70 1HG2 VAL 70 7.317 -2.999 -4.680 515 HG22 VAL 70 2HG2 VAL 70 6.293 -2.883 -3.249 516 HG23 VAL 70 3HG2 VAL 70 5.884 -4.016 -4.537 517 H GLY 71 H GLY 71 1.702 -1.825 -4.669 518 HA2 GLY 71 1HA GLY 71 1.416 0.122 -6.843 519 HA3 GLY 71 2HA GLY 71 0.109 -0.544 -5.875 520 H ALA 72 H ALA 72 -0.553 1.735 -5.756 521 HA ALA 72 HA ALA 72 0.265 2.879 -3.271 522 HB1 ALA 72 1HB ALA 72 1.458 4.712 -3.896 523 HB2 ALA 72 2HB ALA 72 1.959 3.608 -5.177 524 HB3 ALA 72 3HB ALA 72 0.700 4.804 -5.486 525 H VAL 73 H VAL 73 -1.551 3.620 -2.409 526 HA VAL 73 HA VAL 73 -3.646 4.652 -4.207 527 HB VAL 73 HB VAL 73 -3.799 3.035 -1.698 528 HG11 VAL 73 1HG1 VAL 73 -5.225 4.610 -0.886 529 HG12 VAL 73 2HG1 VAL 73 -5.640 5.222 -2.489 530 HG13 VAL 73 3HG1 VAL 73 -6.359 3.721 -1.903 531 HG21 VAL 73 1HG2 VAL 73 -3.991 1.905 -3.835 532 HG22 VAL 73 2HG2 VAL 73 -5.537 1.858 -2.986 533 HG23 VAL 73 3HG2 VAL 73 -5.296 2.989 -4.317 534 H ASN 74 H ASN 74 -4.093 6.743 -4.050 535 HA ASN 74 HA ASN 74 -2.850 8.408 -2.110 536 HB2 ASN 74 1HB ASN 74 -3.311 9.241 -4.350 537 HB3 ASN 74 2HB ASN 74 -5.040 9.006 -4.111 538 HD21 ASN 74 1HD2 ASN 74 -4.779 11.356 -4.826 539 HD22 ASN 74 2HD2 ASN 74 -4.675 12.521 -3.555 540 H ALA 75 H ALA 75 -3.543 7.680 -0.082 541 HA ALA 75 HA ALA 75 -6.020 7.108 0.857 542 HB1 ALA 75 1HB ALA 75 -4.949 8.699 2.880 543 HB2 ALA 75 2HB ALA 75 -4.763 6.956 2.683 544 HB3 ALA 75 3HB ALA 75 -3.554 8.053 2.015 545 H ASP 76 H ASP 76 -4.721 10.331 0.239 546 HA ASP 76 HA ASP 76 -6.809 11.818 1.385 547 HB2 ASP 76 1HB ASP 76 -4.662 12.821 0.760 548 HB3 ASP 76 2HB ASP 76 -5.013 12.535 -0.943 549 H LYS 77 H LYS 77 -6.325 10.674 -1.942 550 HA LYS 77 HA LYS 77 -8.864 11.720 -2.816 551 HB2 LYS 77 1HB LYS 77 -7.143 11.684 -4.455 552 HB3 LYS 77 2HB LYS 77 -6.765 9.998 -4.126 553 HG2 LYS 77 1HG LYS 77 -9.241 9.618 -4.900 554 HG3 LYS 77 2HG LYS 77 -8.997 11.170 -5.705 555 HD2 LYS 77 1HD LYS 77 -7.032 8.919 -6.000 556 HD3 LYS 77 2HD LYS 77 -8.465 9.035 -7.024 557 HE2 LYS 77 1HE LYS 77 -6.445 11.247 -6.704 558 HE3 LYS 77 2HE LYS 77 -6.385 10.045 -7.992 559 HZ1 LYS 77 1HZ LYS 77 -8.887 11.508 -7.619 560 HZ2 LYS 77 2HZ LYS 77 -8.169 10.942 -9.042 561 HZ3 LYS 77 3HZ LYS 77 -7.589 12.349 -8.303 562 H HIS 78 H HIS 78 -7.517 8.418 -2.635 563 HA HIS 78 HA HIS 78 -10.155 7.260 -2.806 564 HB2 HIS 78 1HB HIS 78 -7.502 5.910 -2.266 565 HB3 HIS 78 2HB HIS 78 -9.005 5.113 -2.722 566 HD1 HIS 78 1HD HIS 78 -9.871 6.841 -5.084 567 HD2 HIS 78 2HD HIS 78 -5.966 5.559 -4.476 568 HE1 HIS 78 1HE HIS 78 -8.782 6.904 -7.350 569 HE2 HIS 78 2HE HIS 78 -6.446 6.043 -6.971 570 H GLN 79 H GLN 79 -9.943 8.937 -0.592 571 HA GLN 79 HA GLN 79 -9.208 8.015 1.837 572 HB2 GLN 79 1HB GLN 79 -11.599 9.552 0.930 573 HB3 GLN 79 2HB GLN 79 -11.540 9.009 2.601 574 HG2 GLN 79 1HG GLN 79 -9.298 10.556 1.346 575 HG3 GLN 79 2HG GLN 79 -10.682 11.343 2.103 576 HE21 GLN 79 1HE2 GLN 79 -7.977 11.579 2.919 577 HE22 GLN 79 2HE2 GLN 79 -7.854 10.936 4.518 578 H SER 80 H SER 80 -11.821 6.782 -0.130 579 HA SER 80 HA SER 80 -13.118 5.238 1.842 580 HB2 SER 80 1HB SER 80 -14.079 3.990 -0.081 581 HB3 SER 80 2HB SER 80 -14.205 5.738 -0.278 582 HG SER 80 HG SER 80 -12.531 5.685 -1.730 583 H LEU 81 H LEU 81 -10.663 4.353 -0.578 584 HA LEU 81 HA LEU 81 -10.405 1.665 0.085 585 HB2 LEU 81 1HB LEU 81 -8.417 3.642 -1.000 586 HB3 LEU 81 2HB LEU 81 -8.049 1.929 -0.809 587 HG LEU 81 HG LEU 81 -10.186 3.101 -2.590 588 HD11 LEU 81 1HD1 LEU 81 -7.685 1.640 -3.394 589 HD12 LEU 81 2HD1 LEU 81 -7.769 3.397 -3.271 590 HD13 LEU 81 3HD1 LEU 81 -8.803 2.543 -4.417 591 HD21 LEU 81 1HD2 LEU 81 -9.583 0.400 -3.192 592 HD22 LEU 81 2HD2 LEU 81 -11.110 1.086 -2.634 593 HD23 LEU 81 3HD2 LEU 81 -9.925 0.502 -1.465 594 H GLY 82 H GLY 82 -8.468 4.418 1.267 595 HA2 GLY 82 1HA GLY 82 -6.838 3.005 3.029 596 HA3 GLY 82 2HA GLY 82 -7.276 4.698 3.208 597 H GLY 83 H GLY 83 -9.736 4.889 3.934 598 HA2 GLY 83 1HA GLY 83 -9.853 4.021 6.582 599 HA3 GLY 83 2HA GLY 83 -11.224 4.620 5.660 600 H GLN 84 H GLN 84 -11.298 2.604 3.681 601 HA GLN 84 HA GLN 84 -12.973 0.735 4.807 602 HB2 GLN 84 1HB GLN 84 -12.775 1.153 2.383 603 HB3 GLN 84 2HB GLN 84 -11.216 0.340 2.379 604 HG2 GLN 84 1HG GLN 84 -12.144 -1.743 2.653 605 HG3 GLN 84 2HG GLN 84 -13.613 -1.109 3.393 606 HE21 GLN 84 1HE2 GLN 84 -11.853 -0.755 0.327 607 HE22 GLN 84 2HE2 GLN 84 -13.243 -0.921 -0.685 608 H TYR 85 H TYR 85 -9.556 0.871 4.953 609 HA TYR 85 HA TYR 85 -9.396 -1.921 5.855 610 HB2 TYR 85 1HB TYR 85 -7.365 0.006 4.770 611 HB3 TYR 85 2HB TYR 85 -6.854 -1.382 5.724 612 HD1 TYR 85 1HD TYR 85 -9.081 -0.606 2.820 613 HD2 TYR 85 2HD TYR 85 -6.324 -3.320 4.591 614 HE1 TYR 85 1HE TYR 85 -9.188 -2.019 0.809 615 HE2 TYR 85 2HE TYR 85 -6.423 -4.739 2.585 616 HH TYR 85 HH TYR 85 -8.704 -4.111 0.001 617 H GLY 86 H GLY 86 -8.670 1.402 6.795 618 HA2 GLY 86 1HA GLY 86 -9.216 1.735 9.255 619 HA3 GLY 86 2HA GLY 86 -8.059 0.438 9.516 620 H VAL 87 H VAL 87 -7.468 2.718 6.983 621 HA VAL 87 HA VAL 87 -4.990 3.513 8.159 622 HB VAL 87 HB VAL 87 -6.392 4.690 5.755 623 HG11 VAL 87 1HG1 VAL 87 -4.326 5.643 5.146 624 HG12 VAL 87 2HG1 VAL 87 -4.523 6.010 6.861 625 HG13 VAL 87 3HG1 VAL 87 -3.446 4.708 6.354 626 HG21 VAL 87 1HG2 VAL 87 -6.045 2.674 4.848 627 HG22 VAL 87 2HG2 VAL 87 -4.339 3.122 4.827 628 HG23 VAL 87 3HG2 VAL 87 -4.983 2.166 6.161 629 H GLN 88 H GLN 88 -4.684 5.064 9.604 630 HA GLN 88 HA GLN 88 -6.663 7.240 9.773 631 HB2 GLN 88 1HB GLN 88 -4.948 6.107 11.989 632 HB3 GLN 88 2HB GLN 88 -6.115 7.412 12.155 633 HG2 GLN 88 1HG GLN 88 -6.780 4.588 11.356 634 HG3 GLN 88 2HG GLN 88 -6.959 5.258 12.977 635 HE21 GLN 88 1HE2 GLN 88 -9.106 4.161 11.742 636 HE22 GLN 88 2HE2 GLN 88 -10.235 5.391 11.299 637 H GLY 89 H GLY 89 -3.244 6.393 9.933 638 HA2 GLY 89 1HA GLY 89 -2.615 9.209 9.338 639 HA3 GLY 89 2HA GLY 89 -1.741 8.365 10.607 640 H PHE 90 H PHE 90 -1.323 9.449 7.643 641 HA PHE 90 HA PHE 90 0.032 7.079 6.582 642 HB2 PHE 90 1HB PHE 90 0.085 9.560 4.994 643 HB3 PHE 90 2HB PHE 90 -0.313 7.916 4.505 644 HD1 PHE 90 2HD PHE 90 -2.575 7.220 6.145 645 HD2 PHE 90 1HD PHE 90 -1.621 10.939 4.309 646 HE1 PHE 90 2HE PHE 90 -4.963 7.810 6.108 647 HE2 PHE 90 1HE PHE 90 -4.008 11.536 4.269 648 HZ PHE 90 HZ PHE 90 -5.682 9.970 5.169 649 HA PRO 91 HA PRO 91 1.467 7.270 4.533 650 HB2 PRO 91 1HB PRO 91 3.730 5.774 4.424 651 HB3 PRO 91 2HB PRO 91 3.615 7.394 3.727 652 HG2 PRO 91 1HG PRO 91 4.787 6.536 6.345 653 HG3 PRO 91 2HG PRO 91 5.420 7.696 5.163 654 HD2 PRO 91 1HD PRO 91 4.126 8.468 7.413 655 HD3 PRO 91 2HD PRO 91 4.039 9.389 5.899 656 H THR 92 H THR 92 0.699 5.177 4.359 657 HA THR 92 HA THR 92 1.035 3.426 6.698 658 HB THR 92 HB THR 92 -1.574 4.102 5.331 659 HG1 THR 92 1HG THR 92 -1.302 5.549 6.927 660 HG21 THR 92 1HG2 THR 92 -1.173 2.097 7.546 661 HG22 THR 92 2HG2 THR 92 -1.266 1.645 5.844 662 HG23 THR 92 3HG2 THR 92 -2.643 2.420 6.627 663 H ILE 93 H ILE 93 2.260 1.858 5.801 664 HA ILE 93 HA ILE 93 1.637 0.838 3.150 665 HB ILE 93 HB ILE 93 3.808 0.025 5.086 666 HG12 ILE 93 1HG1 ILE 93 4.129 1.580 2.526 667 HG13 ILE 93 2HG1 ILE 93 3.844 2.381 4.067 668 HG21 ILE 93 1HG2 ILE 93 4.288 -1.678 3.745 669 HG22 ILE 93 2HG2 ILE 93 2.804 -1.341 2.856 670 HG23 ILE 93 3HG2 ILE 93 4.326 -0.616 2.338 671 HD11 ILE 93 1HD1 ILE 93 6.224 2.274 3.420 672 HD12 ILE 93 2HD1 ILE 93 5.882 1.491 4.963 673 HD13 ILE 93 3HD1 ILE 93 6.138 0.516 3.516 674 H LYS 94 H LYS 94 0.814 -1.152 2.696 675 HA LYS 94 HA LYS 94 0.196 -2.940 4.942 676 HB2 LYS 94 1HB LYS 94 -1.722 -1.844 2.901 677 HB3 LYS 94 2HB LYS 94 -2.032 -3.374 3.710 678 HG2 LYS 94 1HG LYS 94 -1.460 -0.889 5.277 679 HG3 LYS 94 2HG LYS 94 -3.080 -1.241 4.672 680 HD2 LYS 94 1HD LYS 94 -2.748 -3.545 5.793 681 HD3 LYS 94 2HD LYS 94 -1.440 -2.754 6.675 682 HE2 LYS 94 1HE LYS 94 -3.065 -1.022 7.411 683 HE3 LYS 94 2HE LYS 94 -4.347 -1.951 6.635 684 HZ1 LYS 94 1HZ LYS 94 -3.857 -3.799 8.103 685 HZ2 LYS 94 2HZ LYS 94 -4.214 -2.414 9.004 686 HZ3 LYS 94 3HZ LYS 94 -2.610 -2.925 8.839 687 H ILE 95 H ILE 95 0.751 -4.983 4.553 688 HA ILE 95 HA ILE 95 1.610 -5.711 1.865 689 HB ILE 95 HB ILE 95 1.895 -7.190 4.483 690 HG12 ILE 95 1HG1 ILE 95 4.147 -6.022 2.885 691 HG13 ILE 95 2HG1 ILE 95 3.205 -4.984 3.950 692 HG21 ILE 95 1HG2 ILE 95 1.832 -8.811 2.746 693 HG22 ILE 95 2HG2 ILE 95 2.882 -7.840 1.716 694 HG23 ILE 95 3HG2 ILE 95 3.526 -8.584 3.179 695 HD11 ILE 95 1HD1 ILE 95 5.191 -7.045 4.586 696 HD12 ILE 95 2HD1 ILE 95 4.745 -5.579 5.461 697 HD13 ILE 95 3HD1 ILE 95 3.759 -7.033 5.615 698 H PHE 96 H PHE 96 0.669 -7.242 0.613 699 HA PHE 96 HA PHE 96 -1.769 -8.514 1.671 700 HB2 PHE 96 1HB PHE 96 -1.171 -7.366 -1.046 701 HB3 PHE 96 2HB PHE 96 -2.454 -8.549 -0.814 702 HD1 PHE 96 1HD PHE 96 -1.252 -5.296 0.545 703 HD2 PHE 96 2HD PHE 96 -4.576 -7.814 -0.308 704 HE1 PHE 96 1HE PHE 96 -2.786 -3.493 1.216 705 HE2 PHE 96 2HE PHE 96 -6.115 -6.014 0.360 706 HZ PHE 96 HZ PHE 96 -5.221 -3.850 1.123 707 H GLY 97 H GLY 97 -1.840 -10.669 1.652 708 HA2 GLY 97 1HA GLY 97 -0.590 -12.260 -0.364 709 HA3 GLY 97 2HA GLY 97 0.326 -12.292 1.135 710 H ALA 98 H ALA 98 -0.466 -13.397 2.901 711 HA ALA 98 HA ALA 98 -1.807 -15.705 2.648 712 HB1 ALA 98 1HB ALA 98 -2.459 -14.117 5.082 713 HB2 ALA 98 2HB ALA 98 -1.970 -15.805 4.932 714 HB3 ALA 98 3HB ALA 98 -0.775 -14.522 4.751 715 H ASN 99 H ASN 99 -3.478 -12.761 3.792 716 HA ASN 99 HA ASN 99 -5.929 -13.782 2.513 717 HB2 ASN 99 1HB ASN 99 -5.971 -13.919 5.017 718 HB3 ASN 99 2HB ASN 99 -5.816 -12.166 5.067 719 HD21 ASN 99 1HD2 ASN 99 -7.752 -11.682 5.948 720 HD22 ASN 99 2HD2 ASN 99 -9.271 -12.003 5.188 721 H LYS 100 H LYS 100 -6.097 -12.563 0.725 722 HA LYS 100 HA LYS 100 -5.186 -9.945 0.394 723 HB2 LYS 100 1HB LYS 100 -7.222 -11.616 -1.046 724 HB3 LYS 100 2HB LYS 100 -6.969 -9.936 -1.500 725 HG2 LYS 100 1HG LYS 100 -4.861 -12.087 -1.479 726 HG3 LYS 100 2HG LYS 100 -5.683 -11.455 -2.907 727 HD2 LYS 100 1HD LYS 100 -4.796 -9.184 -2.278 728 HD3 LYS 100 2HD LYS 100 -3.809 -9.991 -1.056 729 HE2 LYS 100 1HE LYS 100 -3.744 -10.626 -4.003 730 HE3 LYS 100 2HE LYS 100 -2.612 -9.546 -3.191 731 HZ1 LYS 100 1HZ LYS 100 -2.264 -11.600 -1.661 732 HZ2 LYS 100 2HZ LYS 100 -1.475 -11.516 -3.154 733 HZ3 LYS 100 3HZ LYS 100 -2.865 -12.464 -2.985 734 H ASN 101 H ASN 101 -7.951 -11.134 2.022 735 HA ASN 101 HA ASN 101 -9.509 -8.723 1.806 736 HB2 ASN 101 1HB ASN 101 -9.781 -11.275 3.373 737 HB3 ASN 101 2HB ASN 101 -10.824 -9.896 3.708 738 HD21 ASN 101 1HD2 ASN 101 -11.064 -12.685 2.395 739 HD22 ASN 101 2HD2 ASN 101 -12.013 -12.365 0.987 740 H LYS 102 H LYS 102 -7.170 -10.067 4.016 741 HA LYS 102 HA LYS 102 -7.254 -7.564 5.549 742 HB2 LYS 102 1HB LYS 102 -6.875 -10.267 6.838 743 HB3 LYS 102 2HB LYS 102 -7.054 -8.713 7.643 744 HG2 LYS 102 1HG LYS 102 -9.364 -8.581 6.713 745 HG3 LYS 102 2HG LYS 102 -9.159 -10.231 6.121 746 HD2 LYS 102 1HD LYS 102 -8.575 -9.694 8.985 747 HD3 LYS 102 2HD LYS 102 -10.265 -9.710 8.475 748 HE2 LYS 102 1HE LYS 102 -10.169 -11.940 7.814 749 HE3 LYS 102 2HE LYS 102 -8.410 -11.931 7.698 750 HZ1 LYS 102 1HZ LYS 102 -8.263 -12.613 9.785 751 HZ2 LYS 102 2HZ LYS 102 -9.945 -12.774 9.837 752 HZ3 LYS 102 3HZ LYS 102 -9.218 -11.332 10.341 753 HA PRO 103 HA PRO 103 -2.960 -8.156 4.191 754 HB2 PRO 103 1HB PRO 103 -2.326 -5.522 4.368 755 HB3 PRO 103 2HB PRO 103 -3.157 -6.218 2.972 756 HG2 PRO 103 1HG PRO 103 -4.294 -4.715 5.299 757 HG3 PRO 103 2HG PRO 103 -4.685 -4.572 3.575 758 HD2 PRO 103 1HD PRO 103 -6.234 -5.959 5.310 759 HD3 PRO 103 2HD PRO 103 -6.062 -6.421 3.605 760 H GLU 104 H GLU 104 -0.873 -7.382 5.205 761 HA GLU 104 HA GLU 104 -1.148 -7.505 8.124 762 HB2 GLU 104 1HB GLU 104 1.318 -8.002 6.450 763 HB3 GLU 104 2HB GLU 104 1.131 -8.321 8.169 764 HG2 GLU 104 1HG GLU 104 -0.184 -10.176 7.823 765 HG3 GLU 104 2HG GLU 104 -0.694 -9.647 6.221 766 H ASP 105 H ASP 105 -0.019 -6.094 9.476 767 HA ASP 105 HA ASP 105 0.287 -3.442 8.467 768 HB2 ASP 105 1HB ASP 105 0.881 -4.663 11.167 769 HB3 ASP 105 2HB ASP 105 1.059 -2.946 10.816 770 H TYR 106 H TYR 106 1.960 -3.020 7.160 771 HA TYR 106 HA TYR 106 4.381 -4.292 6.977 772 HB2 TYR 106 1HB TYR 106 3.585 -2.621 5.356 773 HB3 TYR 106 2HB TYR 106 3.865 -1.343 6.533 774 HD1 TYR 106 1HD TYR 106 6.156 -0.686 7.132 775 HD2 TYR 106 2HD TYR 106 5.404 -3.609 4.133 776 HE1 TYR 106 1HE TYR 106 8.467 -0.445 6.326 777 HE2 TYR 106 2HE TYR 106 7.714 -3.376 3.319 778 HH TYR 106 HH TYR 106 10.104 -1.580 5.061 779 H GLN 107 H GLN 107 5.822 -4.683 8.514 780 HA GLN 107 HA GLN 107 6.387 -2.568 10.485 781 HB2 GLN 107 1HB GLN 107 6.451 -5.568 10.710 782 HB3 GLN 107 2HB GLN 107 7.309 -4.543 11.853 783 HG2 GLN 107 1HG GLN 107 5.146 -3.405 12.341 784 HG3 GLN 107 2HG GLN 107 4.348 -4.612 11.334 785 HE21 GLN 107 1HE2 GLN 107 3.164 -5.048 13.326 786 HE22 GLN 107 2HE2 GLN 107 3.848 -6.135 14.482 787 H GLY 108 H GLY 108 7.612 -2.509 7.970 788 HA2 GLY 108 1HA GLY 108 10.371 -3.351 8.611 789 HA3 GLY 108 2HA GLY 108 9.737 -3.239 6.976 790 H GLY 109 H GLY 109 11.500 -1.859 6.433 791 HA2 GLY 109 1HA GLY 109 11.522 0.774 7.723 792 HA3 GLY 109 2HA GLY 109 12.757 0.143 6.643 793 H ARG 110 H ARG 110 11.134 2.678 6.666 794 HA ARG 110 HA ARG 110 9.508 2.487 4.284 795 HB2 ARG 110 1HB ARG 110 10.362 4.973 5.773 796 HB3 ARG 110 2HB ARG 110 9.034 4.826 4.630 797 HG2 ARG 110 1HG ARG 110 9.012 3.113 7.060 798 HG3 ARG 110 2HG ARG 110 8.614 4.825 7.219 799 HD2 ARG 110 1HD ARG 110 6.705 4.638 5.958 800 HD3 ARG 110 2HD ARG 110 7.308 3.247 5.058 801 HE ARG 110 HE ARG 110 7.029 2.271 7.558 802 HH11 ARG 110 2HH1 ARG 110 4.898 4.035 5.444 803 HH12 ARG 110 1HH1 ARG 110 3.457 3.314 6.080 804 HH21 ARG 110 2HH2 ARG 110 5.139 1.314 8.403 805 HH22 ARG 110 1HH2 ARG 110 3.595 1.766 7.764 806 H THR 111 H THR 111 12.127 1.692 3.782 807 HA THR 111 HA THR 111 13.033 3.843 1.986 808 HB THR 111 HB THR 111 15.375 2.808 2.319 809 HG1 THR 111 1HG THR 111 14.032 1.213 3.886 810 HG21 THR 111 1HG2 THR 111 13.950 4.499 4.358 811 HG22 THR 111 2HG2 THR 111 15.037 5.014 3.068 812 HG23 THR 111 3HG2 THR 111 15.676 4.156 4.470 813 H GLY 112 H GLY 112 13.218 3.269 -0.089 814 HA2 GLY 112 1HA GLY 112 12.238 1.101 -1.299 815 HA3 GLY 112 2HA GLY 112 13.663 1.914 -1.928 816 H GLU 113 H GLU 113 15.485 1.235 0.107 817 HA GLU 113 HA GLU 113 16.309 -1.315 -0.780 818 HB2 GLU 113 1HB GLU 113 17.828 -1.018 1.393 819 HB3 GLU 113 2HB GLU 113 18.133 -0.134 -0.095 820 HG2 GLU 113 1HG GLU 113 17.199 1.840 0.752 821 HG3 GLU 113 2HG GLU 113 16.421 0.996 2.090 822 H ALA 114 H ALA 114 14.992 -0.227 2.342 823 HA ALA 114 HA ALA 114 14.965 -2.770 3.558 824 HB1 ALA 114 1HB ALA 114 14.756 -0.484 4.667 825 HB2 ALA 114 2HB ALA 114 13.047 -0.562 4.238 826 HB3 ALA 114 3HB ALA 114 13.746 -1.783 5.301 827 H ILE 115 H ILE 115 12.482 -0.972 1.775 828 HA ILE 115 HA ILE 115 10.336 -2.698 2.157 829 HB ILE 115 HB ILE 115 10.986 -1.033 -0.278 830 HG12 ILE 115 1HG1 ILE 115 8.909 -0.308 1.738 831 HG13 ILE 115 2HG1 ILE 115 10.599 -0.062 2.168 832 HG21 ILE 115 1HG2 ILE 115 9.391 -2.647 -0.957 833 HG22 ILE 115 2HG2 ILE 115 8.470 -2.467 0.535 834 HG23 ILE 115 3HG2 ILE 115 8.495 -1.160 -0.649 835 HD11 ILE 115 1HD1 ILE 115 10.921 1.468 0.408 836 HD12 ILE 115 2HD1 ILE 115 9.392 1.028 -0.353 837 HD13 ILE 115 3HD1 ILE 115 9.396 1.911 1.173 838 H VAL 116 H VAL 116 12.899 -2.784 -0.286 839 HA VAL 116 HA VAL 116 11.926 -4.856 -1.871 840 HB VAL 116 HB VAL 116 14.747 -4.012 -1.238 841 HG11 VAL 116 1HG1 VAL 116 13.767 -6.272 -2.935 842 HG12 VAL 116 2HG1 VAL 116 15.244 -5.407 -3.367 843 HG13 VAL 116 3HG1 VAL 116 15.123 -6.225 -1.809 844 HG21 VAL 116 1HG2 VAL 116 14.073 -3.716 -3.959 845 HG22 VAL 116 2HG2 VAL 116 12.708 -3.105 -3.025 846 HG23 VAL 116 3HG2 VAL 116 14.323 -2.449 -2.758 847 H ASP 117 H ASP 117 13.884 -4.979 1.075 848 HA ASP 117 HA ASP 117 14.206 -7.809 1.048 849 HB2 ASP 117 1HB ASP 117 15.562 -5.961 2.319 850 HB3 ASP 117 2HB ASP 117 14.343 -6.195 3.569 851 H ALA 118 H ALA 118 11.834 -5.613 2.392 852 HA ALA 118 HA ALA 118 10.559 -7.461 4.119 853 HB1 ALA 118 1HB ALA 118 8.713 -5.505 3.137 854 HB2 ALA 118 2HB ALA 118 9.448 -5.642 4.735 855 HB3 ALA 118 3HB ALA 118 10.271 -4.745 3.459 856 H ALA 119 H ALA 119 9.768 -6.354 0.828 857 HA ALA 119 HA ALA 119 7.479 -7.899 0.446 858 HB1 ALA 119 1HB ALA 119 8.527 -6.026 -1.016 859 HB2 ALA 119 2HB ALA 119 9.360 -7.360 -1.815 860 HB3 ALA 119 3HB ALA 119 7.598 -7.312 -1.787 861 H LEU 120 H LEU 120 10.868 -8.656 -0.324 862 HA LEU 120 HA LEU 120 10.436 -11.164 -1.478 863 HB2 LEU 120 1HB LEU 120 12.800 -10.146 0.089 864 HB3 LEU 120 2HB LEU 120 12.797 -11.625 -0.869 865 HG LEU 120 HG LEU 120 12.144 -9.017 -2.175 866 HD11 LEU 120 1HD1 LEU 120 14.626 -9.614 -0.863 867 HD12 LEU 120 2HD1 LEU 120 14.142 -8.161 -1.737 868 HD13 LEU 120 3HD1 LEU 120 14.864 -9.514 -2.608 869 HD21 LEU 120 1HD2 LEU 120 12.266 -11.615 -3.047 870 HD22 LEU 120 2HD2 LEU 120 13.841 -10.974 -3.516 871 HD23 LEU 120 3HD2 LEU 120 12.365 -10.181 -4.069 872 H SER 121 H SER 121 11.382 -10.398 1.875 873 HA SER 121 HA SER 121 11.444 -12.897 2.966 874 HB2 SER 121 1HB SER 121 11.703 -10.485 4.033 875 HB3 SER 121 2HB SER 121 10.036 -10.776 4.531 876 HG SER 121 HG SER 121 12.378 -11.951 5.399 877 H ALA 122 H ALA 122 8.569 -10.914 2.386 878 HA ALA 122 HA ALA 122 6.747 -12.794 3.522 879 HB1 ALA 122 1HB ALA 122 5.863 -10.678 3.535 880 HB2 ALA 122 2HB ALA 122 6.488 -10.287 1.933 881 HB3 ALA 122 3HB ALA 122 5.089 -11.347 2.099 882 H LEU 123 H LEU 123 7.708 -11.983 0.201 883 HA LEU 123 HA LEU 123 5.983 -13.567 -1.233 884 HB2 LEU 123 1HB LEU 123 7.855 -11.990 -2.025 885 HB3 LEU 123 2HB LEU 123 8.895 -13.410 -1.934 886 HG LEU 123 HG LEU 123 8.057 -12.917 -4.217 887 HD11 LEU 123 1HD1 LEU 123 8.753 -15.164 -3.633 888 HD12 LEU 123 2HD1 LEU 123 7.369 -15.218 -4.725 889 HD13 LEU 123 3HD1 LEU 123 7.145 -15.521 -3.002 890 HD21 LEU 123 1HD2 LEU 123 5.371 -13.904 -3.350 891 HD22 LEU 123 2HD2 LEU 123 5.822 -13.010 -4.802 892 HD23 LEU 123 3HD2 LEU 123 5.764 -12.188 -3.242 893 H ARG 124 H ARG 124 9.240 -14.559 -0.158 894 HA ARG 124 HA ARG 124 9.088 -17.220 -0.917 895 HB2 ARG 124 1HB ARG 124 10.774 -17.599 0.949 896 HB3 ARG 124 2HB ARG 124 11.200 -16.392 -0.257 897 HG2 ARG 124 1HG ARG 124 11.720 -15.177 1.562 898 HG3 ARG 124 2HG ARG 124 9.993 -14.816 1.546 899 HD2 ARG 124 1HD ARG 124 9.556 -16.156 3.341 900 HD3 ARG 124 2HD ARG 124 10.880 -17.261 2.974 901 HE ARG 124 HE ARG 124 12.010 -14.833 3.715 902 HH11 ARG 124 2HH1 ARG 124 10.047 -17.332 5.136 903 HH12 ARG 124 1HH1 ARG 124 10.645 -17.069 6.741 904 HH21 ARG 124 2HH2 ARG 124 12.805 -14.478 5.823 905 HH22 ARG 124 1HH2 ARG 124 12.213 -15.445 7.131 906 H SER 125 H SER 125 8.086 -15.703 2.123 907 HA SER 125 HA SER 125 7.456 -17.944 3.606 908 HB2 SER 125 1HB SER 125 7.368 -15.747 4.603 909 HB3 SER 125 2HB SER 125 6.064 -15.258 3.521 910 HG SER 125 HG SER 125 4.662 -16.475 4.629 911 H GLY 126 H GLY 126 5.399 -16.208 1.284 912 HA2 GLY 126 1HA GLY 126 3.517 -16.863 0.146 913 HA3 GLY 126 2HA GLY 126 4.099 -18.508 0.352 914 HA PRO 127 HA PRO 127 0.154 -17.677 2.832 915 HB2 PRO 127 1HB PRO 127 -1.503 -19.272 1.390 916 HB3 PRO 127 2HB PRO 127 -1.262 -17.560 1.026 917 HG2 PRO 127 1HG PRO 127 -0.027 -19.962 -0.264 918 HG3 PRO 127 2HG PRO 127 -0.676 -18.495 -1.020 919 HD2 PRO 127 1HD PRO 127 1.976 -18.885 -0.634 920 HD3 PRO 127 2HD PRO 127 1.230 -17.275 -0.581 921 H SER 128 H SER 128 0.698 -18.841 4.602 922 HA SER 128 HA SER 128 1.762 -21.335 4.822 923 HB2 SER 128 1HB SER 128 -0.165 -19.862 6.604 924 HB3 SER 128 2HB SER 128 0.432 -21.462 7.042 925 HG SER 128 HG SER 128 2.169 -20.510 7.706 926 H SER 129 H SER 129 -1.739 -20.707 5.127 927 HA SER 129 HA SER 129 -2.499 -22.837 3.434 928 HB2 SER 129 1HB SER 129 -1.660 -24.200 5.322 929 HB3 SER 129 2HB SER 129 -2.797 -23.387 6.397 930 HG SER 129 HG SER 129 -4.406 -24.503 5.566 931 H GLY 130 H GLY 130 -4.765 -22.983 3.159 932 HA2 GLY 130 1HA GLY 130 -6.481 -21.289 4.781 933 HA3 GLY 130 2HA GLY 130 -6.257 -20.763 3.119 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -14.015 -8.793 -17.043 2 HA2 GLY 1 1HA GLY 1 -12.387 -6.761 -15.960 3 HA3 GLY 1 2HA GLY 1 -13.506 -6.570 -17.302 4 H SER 2 H SER 2 -12.793 -4.977 -14.773 5 HA SER 2 HA SER 2 -15.575 -4.552 -13.896 6 HB2 SER 2 1HB SER 2 -13.957 -5.523 -12.164 7 HB3 SER 2 2HB SER 2 -13.159 -3.950 -12.191 8 HG SER 2 HG SER 2 -15.029 -3.005 -11.449 9 H SER 3 H SER 3 -15.898 -2.968 -15.497 10 HA SER 3 HA SER 3 -14.204 -0.770 -15.946 11 HB2 SER 3 1HB SER 3 -17.086 -1.351 -16.528 12 HB3 SER 3 2HB SER 3 -16.462 0.279 -16.783 13 HG SER 3 HG SER 3 -15.469 -0.401 -18.502 14 H GLY 4 H GLY 4 -15.154 1.564 -15.630 15 HA2 GLY 4 1HA GLY 4 -16.703 2.635 -13.827 16 HA3 GLY 4 2HA GLY 4 -15.574 1.844 -12.738 17 H SER 5 H SER 5 -15.491 3.956 -15.612 18 HA SER 5 HA SER 5 -13.061 5.212 -14.626 19 HB2 SER 5 1HB SER 5 -12.960 6.320 -16.766 20 HB3 SER 5 2HB SER 5 -13.363 4.626 -17.047 21 HG SER 5 HG SER 5 -15.646 5.872 -16.748 22 H SER 6 H SER 6 -12.982 7.087 -13.571 23 HA SER 6 HA SER 6 -15.436 8.717 -13.459 24 HB2 SER 6 1HB SER 6 -14.838 7.603 -11.311 25 HB3 SER 6 2HB SER 6 -13.304 8.473 -11.323 26 HG SER 6 HG SER 6 -15.659 9.312 -10.435 27 H GLY 7 H GLY 7 -11.896 8.956 -13.067 28 HA2 GLY 7 1HA GLY 7 -10.983 10.594 -14.838 29 HA3 GLY 7 2HA GLY 7 -12.055 11.731 -14.034 30 H ALA 8 H ALA 8 -9.601 9.322 -13.078 31 HA ALA 8 HA ALA 8 -8.455 11.371 -11.294 32 HB1 ALA 8 1HB ALA 8 -9.092 8.517 -10.819 33 HB2 ALA 8 2HB ALA 8 -7.613 9.150 -10.094 34 HB3 ALA 8 3HB ALA 8 -9.167 9.896 -9.721 35 H VAL 9 H VAL 9 -6.383 11.876 -11.615 36 HA VAL 9 HA VAL 9 -4.798 10.141 -13.393 37 HB VAL 9 HB VAL 9 -4.474 13.106 -12.911 38 HG11 VAL 9 1HG1 VAL 9 -3.111 11.323 -14.926 39 HG12 VAL 9 2HG1 VAL 9 -2.838 13.050 -14.682 40 HG13 VAL 9 3HG1 VAL 9 -2.377 11.898 -13.429 41 HG21 VAL 9 1HG2 VAL 9 -6.522 12.433 -14.186 42 HG22 VAL 9 2HG2 VAL 9 -5.399 13.454 -15.085 43 HG23 VAL 9 3HG2 VAL 9 -5.458 11.719 -15.399 44 H SER 10 H SER 10 -2.633 9.730 -12.902 45 HA SER 10 HA SER 10 -1.913 9.058 -10.396 46 HB2 SER 10 1HB SER 10 -0.159 10.104 -12.621 47 HB3 SER 10 2HB SER 10 0.500 9.444 -11.124 48 HG SER 10 HG SER 10 -1.065 8.128 -13.081 49 H GLY 11 H GLY 11 -1.127 9.986 -8.568 50 HA2 GLY 11 1HA GLY 11 -1.317 12.890 -8.408 51 HA3 GLY 11 2HA GLY 11 -1.187 11.777 -7.054 52 H LEU 12 H LEU 12 0.706 11.676 -6.040 53 HA LEU 12 HA LEU 12 2.863 13.328 -6.740 54 HB2 LEU 12 1HB LEU 12 2.764 10.948 -4.895 55 HB3 LEU 12 2HB LEU 12 4.106 12.085 -4.991 56 HG LEU 12 HG LEU 12 1.296 12.772 -4.131 57 HD11 LEU 12 1HD1 LEU 12 3.817 12.298 -2.554 58 HD12 LEU 12 2HD1 LEU 12 2.302 11.401 -2.456 59 HD13 LEU 12 3HD1 LEU 12 2.373 13.074 -1.903 60 HD21 LEU 12 1HD2 LEU 12 2.052 14.785 -4.880 61 HD22 LEU 12 2HD2 LEU 12 3.749 14.362 -4.649 62 HD23 LEU 12 3HD2 LEU 12 2.754 14.807 -3.262 63 H TYR 13 H TYR 13 2.580 9.778 -6.900 64 HA TYR 13 HA TYR 13 5.070 9.318 -8.104 65 HB2 TYR 13 1HB TYR 13 2.516 7.703 -8.198 66 HB3 TYR 13 2HB TYR 13 4.066 7.127 -8.801 67 HD1 TYR 13 2HD TYR 13 2.237 8.159 -5.759 68 HD2 TYR 13 1HD TYR 13 5.722 6.282 -7.321 69 HE1 TYR 13 2HE TYR 13 2.807 7.354 -3.506 70 HE2 TYR 13 1HE TYR 13 6.300 5.471 -5.073 71 HH TYR 13 HH TYR 13 5.293 6.628 -2.385 72 H SER 14 H SER 14 5.034 8.071 -10.361 73 HA SER 14 HA SER 14 3.500 9.648 -12.304 74 HB2 SER 14 1HB SER 14 6.487 9.164 -12.403 75 HB3 SER 14 2HB SER 14 5.539 9.861 -13.717 76 HG SER 14 HG SER 14 5.256 11.051 -11.227 77 H SER 15 H SER 15 2.491 8.380 -13.703 78 HA SER 15 HA SER 15 2.335 5.703 -13.742 79 HB2 SER 15 1HB SER 15 2.032 7.733 -15.905 80 HB3 SER 15 2HB SER 15 2.022 6.031 -16.368 81 HG SER 15 HG SER 15 0.259 5.695 -15.073 82 H SER 16 H SER 16 4.820 7.596 -15.386 83 HA SER 16 HA SER 16 6.055 5.630 -16.881 84 HB2 SER 16 1HB SER 16 8.088 6.996 -16.748 85 HB3 SER 16 2HB SER 16 6.668 8.016 -16.981 86 HG SER 16 HG SER 16 8.413 8.389 -15.180 87 H ASP 17 H ASP 17 6.613 6.479 -13.481 88 HA ASP 17 HA ASP 17 8.728 4.832 -12.881 89 HB2 ASP 17 1HB ASP 17 8.022 4.914 -10.590 90 HB3 ASP 17 2HB ASP 17 7.608 6.459 -11.328 91 H ASP 18 H ASP 18 8.438 2.855 -11.296 92 HA ASP 18 HA ASP 18 7.076 0.821 -12.860 93 HB2 ASP 18 1HB ASP 18 8.927 0.617 -10.477 94 HB3 ASP 18 2HB ASP 18 8.249 -0.766 -11.332 95 H VAL 19 H VAL 19 6.173 2.838 -10.449 96 HA VAL 19 HA VAL 19 4.753 1.000 -8.755 97 HB VAL 19 HB VAL 19 4.604 4.007 -8.992 98 HG11 VAL 19 1HG1 VAL 19 2.697 2.309 -7.880 99 HG12 VAL 19 2HG1 VAL 19 3.629 2.910 -6.507 100 HG13 VAL 19 3HG1 VAL 19 2.857 4.045 -7.615 101 HG21 VAL 19 1HG2 VAL 19 6.240 2.113 -7.426 102 HG22 VAL 19 2HG2 VAL 19 6.616 3.741 -7.991 103 HG23 VAL 19 3HG2 VAL 19 5.621 3.515 -6.553 104 H ILE 20 H ILE 20 2.705 0.308 -8.926 105 HA ILE 20 HA ILE 20 1.224 1.010 -11.328 106 HB ILE 20 HB ILE 20 0.740 -1.080 -9.207 107 HG12 ILE 20 1HG1 ILE 20 1.312 -1.494 -12.135 108 HG13 ILE 20 2HG1 ILE 20 2.609 -1.321 -10.957 109 HG21 ILE 20 1HG2 ILE 20 -0.903 -0.335 -11.613 110 HG22 ILE 20 2HG2 ILE 20 -1.023 -1.904 -10.818 111 HG23 ILE 20 3HG2 ILE 20 -1.417 -0.433 -9.929 112 HD11 ILE 20 1HD1 ILE 20 0.491 -3.455 -11.014 113 HD12 ILE 20 2HD1 ILE 20 2.211 -3.645 -11.355 114 HD13 ILE 20 3HD1 ILE 20 1.674 -3.250 -9.723 115 H GLU 21 H GLU 21 -0.292 2.522 -11.350 116 HA GLU 21 HA GLU 21 -1.138 3.888 -9.023 117 HB2 GLU 21 1HB GLU 21 -1.044 4.878 -11.313 118 HB3 GLU 21 2HB GLU 21 -2.440 3.903 -11.751 119 HG2 GLU 21 1HG GLU 21 -3.696 5.031 -9.906 120 HG3 GLU 21 2HG GLU 21 -2.317 6.113 -9.717 121 H LEU 22 H LEU 22 -2.150 2.609 -7.540 122 HA LEU 22 HA LEU 22 -4.285 0.823 -8.308 123 HB2 LEU 22 1HB LEU 22 -3.038 1.591 -5.689 124 HB3 LEU 22 2HB LEU 22 -4.490 0.596 -5.765 125 HG LEU 22 HG LEU 22 -1.788 -0.102 -6.914 126 HD11 LEU 22 1HD1 LEU 22 -1.569 -1.654 -5.167 127 HD12 LEU 22 2HD1 LEU 22 -3.257 -1.480 -4.687 128 HD13 LEU 22 3HD1 LEU 22 -2.118 -0.166 -4.393 129 HD21 LEU 22 1HD2 LEU 22 -4.410 -1.586 -6.928 130 HD22 LEU 22 2HD2 LEU 22 -2.853 -2.325 -7.300 131 HD23 LEU 22 3HD2 LEU 22 -3.483 -1.031 -8.322 132 H THR 23 H THR 23 -6.446 1.109 -8.018 133 HA THR 23 HA THR 23 -7.384 3.560 -6.719 134 HB THR 23 HB THR 23 -8.533 4.409 -8.508 135 HG1 THR 23 1HG THR 23 -9.476 3.175 -10.068 136 HG21 THR 23 1HG2 THR 23 -6.374 4.718 -9.300 137 HG22 THR 23 2HG2 THR 23 -7.154 3.909 -10.659 138 HG23 THR 23 3HG2 THR 23 -6.115 2.995 -9.566 139 HA PRO 24 HA PRO 24 -10.635 1.082 -5.122 140 HB2 PRO 24 1HB PRO 24 -12.741 2.794 -5.145 141 HB3 PRO 24 2HB PRO 24 -11.389 2.950 -4.017 142 HG2 PRO 24 1HG PRO 24 -11.901 4.417 -6.576 143 HG3 PRO 24 2HG PRO 24 -11.323 5.046 -5.021 144 HD2 PRO 24 1HD PRO 24 -9.659 4.539 -7.096 145 HD3 PRO 24 2HD PRO 24 -9.158 4.355 -5.403 146 H SER 25 H SER 25 -10.298 1.393 -8.221 147 HA SER 25 HA SER 25 -12.948 0.287 -8.887 148 HB2 SER 25 1HB SER 25 -11.261 2.287 -10.307 149 HB3 SER 25 2HB SER 25 -12.148 1.128 -11.297 150 HG SER 25 HG SER 25 -13.143 3.280 -10.465 151 H ASN 26 H ASN 26 -9.522 -0.057 -9.014 152 HA ASN 26 HA ASN 26 -9.849 -2.603 -10.461 153 HB2 ASN 26 1HB ASN 26 -7.291 -2.092 -11.004 154 HB3 ASN 26 2HB ASN 26 -8.595 -1.485 -12.021 155 HD21 ASN 26 1HD2 ASN 26 -6.005 -0.690 -9.955 156 HD22 ASN 26 2HD2 ASN 26 -6.169 1.028 -10.030 157 H PHE 27 H PHE 27 -8.654 -0.944 -7.712 158 HA PHE 27 HA PHE 27 -6.586 -2.259 -6.675 159 HB2 PHE 27 1HB PHE 27 -8.021 -0.592 -5.468 160 HB3 PHE 27 2HB PHE 27 -9.140 -1.901 -5.099 161 HD1 PHE 27 1HD PHE 27 -7.939 -4.030 -4.017 162 HD2 PHE 27 2HD PHE 27 -6.500 -0.028 -3.856 163 HE1 PHE 27 1HE PHE 27 -6.629 -4.585 -2.010 164 HE2 PHE 27 2HE PHE 27 -5.188 -0.577 -1.849 165 HZ PHE 27 HZ PHE 27 -5.250 -2.858 -0.923 166 H ASN 28 H ASN 28 -9.784 -3.642 -7.113 167 HA ASN 28 HA ASN 28 -9.129 -6.099 -5.762 168 HB2 ASN 28 1HB ASN 28 -11.450 -5.122 -5.892 169 HB3 ASN 28 2HB ASN 28 -11.471 -5.565 -7.597 170 HD21 ASN 28 1HD2 ASN 28 -11.125 -7.857 -8.094 171 HD22 ASN 28 2HD2 ASN 28 -11.757 -9.039 -7.003 172 H ARG 29 H ARG 29 -9.554 -5.062 -9.128 173 HA ARG 29 HA ARG 29 -8.903 -7.649 -10.189 174 HB2 ARG 29 1HB ARG 29 -9.441 -4.944 -11.352 175 HB3 ARG 29 2HB ARG 29 -8.692 -6.179 -12.355 176 HG2 ARG 29 1HG ARG 29 -11.287 -6.570 -10.885 177 HG3 ARG 29 2HG ARG 29 -11.172 -6.017 -12.558 178 HD2 ARG 29 1HD ARG 29 -9.712 -8.492 -11.803 179 HD3 ARG 29 2HD ARG 29 -11.468 -8.579 -11.933 180 HE ARG 29 HE ARG 29 -11.303 -8.221 -14.222 181 HH11 ARG 29 2HH1 ARG 29 -8.189 -7.960 -12.687 182 HH12 ARG 29 1HH1 ARG 29 -7.305 -8.024 -14.176 183 HH21 ARG 29 2HH2 ARG 29 -10.150 -8.306 -16.188 184 HH22 ARG 29 1HH2 ARG 29 -8.422 -8.219 -16.167 185 H GLU 30 H GLU 30 -7.070 -5.272 -8.790 186 HA GLU 30 HA GLU 30 -4.706 -5.879 -10.431 187 HB2 GLU 30 1HB GLU 30 -5.519 -3.534 -8.784 188 HB3 GLU 30 2HB GLU 30 -3.804 -3.903 -8.893 189 HG2 GLU 30 1HG GLU 30 -5.452 -3.715 -11.373 190 HG3 GLU 30 2HG GLU 30 -4.880 -2.253 -10.573 191 H VAL 31 H VAL 31 -5.721 -5.502 -7.040 192 HA VAL 31 HA VAL 31 -3.390 -7.062 -6.192 193 HB VAL 31 HB VAL 31 -5.388 -5.503 -4.547 194 HG11 VAL 31 1HG1 VAL 31 -2.859 -6.918 -3.710 195 HG12 VAL 31 2HG1 VAL 31 -3.853 -5.891 -2.675 196 HG13 VAL 31 3HG1 VAL 31 -4.505 -7.403 -3.307 197 HG21 VAL 31 1HG2 VAL 31 -2.526 -4.760 -4.675 198 HG22 VAL 31 2HG2 VAL 31 -3.501 -4.426 -6.106 199 HG23 VAL 31 3HG2 VAL 31 -3.959 -3.740 -4.547 200 H ILE 32 H ILE 32 -6.823 -6.887 -5.229 201 HA ILE 32 HA ILE 32 -7.017 -9.321 -3.967 202 HB ILE 32 HB ILE 32 -9.175 -8.075 -5.674 203 HG12 ILE 32 1HG1 ILE 32 -8.224 -6.491 -4.029 204 HG13 ILE 32 2HG1 ILE 32 -9.888 -6.921 -3.648 205 HG21 ILE 32 1HG2 ILE 32 -9.726 -10.336 -5.058 206 HG22 ILE 32 2HG2 ILE 32 -9.299 -10.022 -3.377 207 HG23 ILE 32 3HG2 ILE 32 -10.699 -9.224 -4.094 208 HD11 ILE 32 1HD1 ILE 32 -8.627 -6.881 -1.626 209 HD12 ILE 32 2HD1 ILE 32 -9.014 -8.561 -2.000 210 HD13 ILE 32 3HD1 ILE 32 -7.394 -7.938 -2.314 211 H GLN 33 H GLN 33 -7.035 -8.641 -7.401 212 HA GLN 33 HA GLN 33 -7.581 -11.450 -8.012 213 HB2 GLN 33 1HB GLN 33 -7.487 -8.959 -9.705 214 HB3 GLN 33 2HB GLN 33 -7.559 -10.568 -10.411 215 HG2 GLN 33 1HG GLN 33 -9.633 -9.031 -8.968 216 HG3 GLN 33 2HG GLN 33 -9.770 -10.075 -10.382 217 HE21 GLN 33 1HE2 GLN 33 -9.818 -9.895 -6.936 218 HE22 GLN 33 2HE2 GLN 33 -10.343 -11.515 -6.645 219 H SER 34 H SER 34 -5.063 -10.566 -6.802 220 HA SER 34 HA SER 34 -3.238 -11.496 -8.917 221 HB2 SER 34 1HB SER 34 -2.836 -9.116 -8.545 222 HB3 SER 34 2HB SER 34 -2.663 -9.395 -6.813 223 HG SER 34 HG SER 34 -0.801 -10.571 -7.216 224 H ASP 35 H ASP 35 -2.866 -13.551 -8.341 225 HA ASP 35 HA ASP 35 -2.923 -14.614 -5.769 226 HB2 ASP 35 1HB ASP 35 -2.038 -16.591 -6.691 227 HB3 ASP 35 2HB ASP 35 -2.910 -15.840 -8.024 228 H GLY 36 H GLY 36 -0.364 -12.975 -7.488 229 HA2 GLY 36 1HA GLY 36 1.758 -13.778 -5.758 230 HA3 GLY 36 2HA GLY 36 1.796 -12.440 -6.896 231 H LEU 37 H LEU 37 3.106 -11.681 -4.912 232 HA LEU 37 HA LEU 37 1.504 -10.724 -2.702 233 HB2 LEU 37 1HB LEU 37 4.023 -11.522 -2.784 234 HB3 LEU 37 2HB LEU 37 4.302 -9.820 -3.146 235 HG LEU 37 HG LEU 37 2.965 -9.348 -1.006 236 HD11 LEU 37 1HD1 LEU 37 3.631 -11.520 0.510 237 HD12 LEU 37 2HD1 LEU 37 3.085 -12.266 -0.991 238 HD13 LEU 37 3HD1 LEU 37 2.020 -11.167 -0.115 239 HD21 LEU 37 1HD2 LEU 37 5.204 -8.804 -0.890 240 HD22 LEU 37 2HD2 LEU 37 5.732 -10.461 -1.185 241 HD23 LEU 37 3HD2 LEU 37 5.063 -10.015 0.385 242 H TRP 38 H TRP 38 1.027 -8.594 -2.227 243 HA TRP 38 HA TRP 38 1.660 -6.596 -4.288 244 HB2 TRP 38 1HB TRP 38 -0.987 -7.566 -3.446 245 HB3 TRP 38 2HB TRP 38 -0.828 -5.812 -3.457 246 HD1 TRP 38 HD TRP 38 -0.964 -8.822 -5.781 247 HE1 TRP 38 1HE TRP 38 -1.197 -7.994 -8.207 248 HE3 TRP 38 3HE TRP 38 -0.222 -3.823 -5.007 249 HZ2 TRP 38 2HZ TRP 38 -1.080 -5.546 -9.607 250 HZ3 TRP 38 3HZ TRP 38 -0.299 -2.306 -6.943 251 HH2 TRP 38 HH TRP 38 -0.718 -3.151 -9.195 252 H LEU 39 H LEU 39 2.333 -4.688 -3.514 253 HA LEU 39 HA LEU 39 2.078 -4.229 -0.615 254 HB2 LEU 39 1HB LEU 39 4.305 -3.886 -2.519 255 HB3 LEU 39 2HB LEU 39 4.109 -2.605 -1.324 256 HG LEU 39 HG LEU 39 4.312 -5.500 -0.539 257 HD11 LEU 39 1HD1 LEU 39 6.557 -5.511 -0.658 258 HD12 LEU 39 2HD1 LEU 39 6.695 -3.798 -0.262 259 HD13 LEU 39 3HD1 LEU 39 6.299 -4.293 -1.907 260 HD21 LEU 39 1HD2 LEU 39 4.194 -4.741 1.550 261 HD22 LEU 39 2HD2 LEU 39 3.694 -3.193 0.870 262 HD23 LEU 39 3HD2 LEU 39 5.394 -3.487 1.238 263 H VAL 40 H VAL 40 0.327 -2.931 -0.449 264 HA VAL 40 HA VAL 40 0.153 -0.578 -2.197 265 HB VAL 40 HB VAL 40 -1.951 -1.638 -0.308 266 HG11 VAL 40 1HG1 VAL 40 -3.220 -0.240 -2.279 267 HG12 VAL 40 2HG1 VAL 40 -2.805 0.399 -0.687 268 HG13 VAL 40 3HG1 VAL 40 -1.740 0.695 -2.062 269 HG21 VAL 40 1HG2 VAL 40 -1.846 -3.353 -1.837 270 HG22 VAL 40 2HG2 VAL 40 -3.001 -2.277 -2.622 271 HG23 VAL 40 3HG2 VAL 40 -1.317 -2.298 -3.147 272 H GLU 41 H GLU 41 0.806 1.317 -1.442 273 HA GLU 41 HA GLU 41 0.901 1.712 1.476 274 HB2 GLU 41 1HB GLU 41 3.110 1.901 0.806 275 HB3 GLU 41 2HB GLU 41 2.688 2.613 -0.745 276 HG2 GLU 41 1HG GLU 41 1.963 4.238 1.582 277 HG3 GLU 41 2HG GLU 41 3.693 3.977 1.369 278 H PHE 42 H PHE 42 -0.380 3.210 2.326 279 HA PHE 42 HA PHE 42 -1.903 4.939 0.544 280 HB2 PHE 42 1HB PHE 42 -2.168 4.448 3.518 281 HB3 PHE 42 2HB PHE 42 -3.264 5.427 2.548 282 HD1 PHE 42 1HD PHE 42 -2.007 1.997 3.086 283 HD2 PHE 42 2HD PHE 42 -4.994 4.440 1.291 284 HE1 PHE 42 1HE PHE 42 -3.336 -0.009 2.576 285 HE2 PHE 42 2HE PHE 42 -6.329 2.438 0.779 286 HZ PHE 42 HZ PHE 42 -5.501 0.209 1.422 287 H TYR 43 H TYR 43 -0.790 6.715 -0.026 288 HA TYR 43 HA TYR 43 0.588 8.230 2.087 289 HB2 TYR 43 1HB TYR 43 2.015 9.142 0.435 290 HB3 TYR 43 2HB TYR 43 1.884 7.432 0.040 291 HD1 TYR 43 1HD TYR 43 0.638 10.801 -0.881 292 HD2 TYR 43 2HD TYR 43 1.065 6.735 -2.058 293 HE1 TYR 43 1HE TYR 43 -0.085 11.390 -3.157 294 HE2 TYR 43 2HE TYR 43 0.345 7.313 -4.338 295 HH TYR 43 HH TYR 43 -1.024 10.361 -5.115 296 H ALA 44 H ALA 44 0.682 10.688 1.416 297 HA ALA 44 HA ALA 44 -1.969 11.564 0.503 298 HB1 ALA 44 1HB ALA 44 -1.628 13.376 2.403 299 HB2 ALA 44 2HB ALA 44 -2.403 11.824 2.725 300 HB3 ALA 44 3HB ALA 44 -0.707 12.066 3.143 301 HA PRO 45 HA PRO 45 0.703 14.170 -1.934 302 HB2 PRO 45 1HB PRO 45 -1.293 15.434 -3.272 303 HB3 PRO 45 2HB PRO 45 -0.763 13.793 -3.663 304 HG2 PRO 45 1HG PRO 45 -3.113 14.688 -2.038 305 HG3 PRO 45 2HG PRO 45 -3.020 13.404 -3.258 306 HD2 PRO 45 1HD PRO 45 -2.956 12.894 -0.600 307 HD3 PRO 45 2HD PRO 45 -2.087 11.898 -1.784 308 H TRP 46 H TRP 46 -1.077 14.964 0.696 309 HA TRP 46 HA TRP 46 -0.528 17.844 0.397 310 HB2 TRP 46 1HB TRP 46 -2.320 18.173 2.124 311 HB3 TRP 46 2HB TRP 46 -2.899 17.524 0.593 312 HD1 TRP 46 HD TRP 46 -4.371 15.429 0.754 313 HE1 TRP 46 1HE TRP 46 -4.917 13.705 2.586 314 HE3 TRP 46 3HE TRP 46 -1.061 16.971 4.332 315 HZ2 TRP 46 2HZ TRP 46 -4.058 13.082 5.202 316 HZ3 TRP 46 3HZ TRP 46 -0.986 15.758 6.471 317 HH2 TRP 46 HH TRP 46 -2.455 13.854 6.895 318 H CYS 47 H CYS 47 0.193 14.996 2.099 319 HA CYS 47 HA CYS 47 1.088 16.332 4.511 320 HB2 CYS 47 1HB CYS 47 0.124 13.868 4.157 321 HB3 CYS 47 2HB CYS 47 1.831 13.507 3.934 322 HG CYS 47 HG CYS 47 0.206 13.717 6.706 323 H GLY 48 H GLY 48 3.380 15.497 5.285 324 HA2 GLY 48 1HA GLY 48 5.242 16.353 3.179 325 HA3 GLY 48 2HA GLY 48 5.551 16.409 4.908 326 H HIS 49 H HIS 49 5.610 14.207 5.993 327 HA HIS 49 HA HIS 49 7.708 12.709 5.105 328 HB2 HIS 49 1HB HIS 49 6.665 10.810 6.489 329 HB3 HIS 49 2HB HIS 49 7.014 12.325 7.318 330 HD1 HIS 49 1HD HIS 49 5.220 12.663 8.979 331 HD2 HIS 49 2HD HIS 49 3.729 11.255 5.366 332 HE1 HIS 49 1HE HIS 49 2.721 12.612 9.257 333 HE2 HIS 49 2HE HIS 49 1.846 11.676 7.088 334 H CYS 50 H CYS 50 4.500 12.697 3.886 335 HA CYS 50 HA CYS 50 4.663 10.102 2.644 336 HB2 CYS 50 1HB CYS 50 2.683 12.362 2.553 337 HB3 CYS 50 2HB CYS 50 2.565 11.018 1.424 338 HG CYS 50 HG CYS 50 1.429 11.214 4.463 339 H GLN 51 H GLN 51 4.780 13.475 1.531 340 HA GLN 51 HA GLN 51 5.154 12.902 -1.196 341 HB2 GLN 51 1HB GLN 51 6.004 15.318 0.409 342 HB3 GLN 51 2HB GLN 51 6.005 15.232 -1.347 343 HG2 GLN 51 1HG GLN 51 3.644 15.067 -1.429 344 HG3 GLN 51 2HG GLN 51 3.537 14.813 0.312 345 HE21 GLN 51 1HE2 GLN 51 1.968 16.613 0.013 346 HE22 GLN 51 2HE2 GLN 51 2.574 18.227 0.118 347 H ARG 52 H ARG 52 7.314 12.828 1.496 348 HA ARG 52 HA ARG 52 9.694 12.860 -0.173 349 HB2 ARG 52 1HB ARG 52 10.918 12.638 1.950 350 HB3 ARG 52 2HB ARG 52 9.789 13.986 1.984 351 HG2 ARG 52 1HG ARG 52 9.519 12.988 4.059 352 HG3 ARG 52 2HG ARG 52 8.174 12.345 3.115 353 HD2 ARG 52 1HD ARG 52 9.180 10.254 2.885 354 HD3 ARG 52 2HD ARG 52 10.781 10.878 3.277 355 HE ARG 52 HE ARG 52 8.766 9.994 5.123 356 HH11 ARG 52 2HH1 ARG 52 11.565 12.020 4.699 357 HH12 ARG 52 1HH1 ARG 52 11.979 12.024 6.381 358 HH21 ARG 52 2HH2 ARG 52 9.300 9.991 7.341 359 HH22 ARG 52 1HH2 ARG 52 10.691 10.868 7.883 360 H LEU 53 H LEU 53 7.414 10.618 0.581 361 HA LEU 53 HA LEU 53 9.297 8.377 0.741 362 HB2 LEU 53 1HB LEU 53 7.414 8.525 2.360 363 HB3 LEU 53 2HB LEU 53 6.295 8.353 1.010 364 HG LEU 53 HG LEU 53 7.200 6.112 0.563 365 HD11 LEU 53 1HD1 LEU 53 8.536 5.659 3.045 366 HD12 LEU 53 2HD1 LEU 53 9.313 6.998 2.200 367 HD13 LEU 53 3HD1 LEU 53 9.135 5.436 1.401 368 HD21 LEU 53 1HD2 LEU 53 6.373 6.427 3.444 369 HD22 LEU 53 2HD2 LEU 53 6.166 5.005 2.421 370 HD23 LEU 53 3HD2 LEU 53 5.259 6.479 2.078 371 H THR 54 H THR 54 8.068 10.145 -1.626 372 HA THR 54 HA THR 54 6.830 8.303 -3.369 373 HB THR 54 HB THR 54 8.427 10.482 -4.586 374 HG1 THR 54 1HG THR 54 7.779 11.837 -3.079 375 HG21 THR 54 1HG2 THR 54 6.918 10.148 -6.188 376 HG22 THR 54 2HG2 THR 54 5.627 10.621 -5.084 377 HG23 THR 54 3HG2 THR 54 6.125 8.933 -5.186 378 HA PRO 55 HA PRO 55 11.244 7.840 -5.325 379 HB2 PRO 55 1HB PRO 55 13.336 8.628 -3.786 380 HB3 PRO 55 2HB PRO 55 12.517 9.708 -4.920 381 HG2 PRO 55 1HG PRO 55 12.174 9.461 -1.956 382 HG3 PRO 55 2HG PRO 55 12.271 10.924 -2.953 383 HD2 PRO 55 1HD PRO 55 9.919 9.927 -2.056 384 HD3 PRO 55 2HD PRO 55 10.066 10.778 -3.607 385 H GLU 56 H GLU 56 10.935 7.493 -1.825 386 HA GLU 56 HA GLU 56 12.678 5.257 -1.598 387 HB2 GLU 56 1HB GLU 56 10.506 6.320 0.210 388 HB3 GLU 56 2HB GLU 56 11.532 4.957 0.633 389 HG2 GLU 56 1HG GLU 56 12.619 7.665 -0.077 390 HG3 GLU 56 2HG GLU 56 12.212 7.187 1.570 391 H TRP 57 H TRP 57 9.225 5.636 -2.137 392 HA TRP 57 HA TRP 57 8.655 2.833 -1.866 393 HB2 TRP 57 1HB TRP 57 7.024 4.752 -1.454 394 HB3 TRP 57 2HB TRP 57 6.902 4.890 -3.206 395 HD1 TRP 57 HD TRP 57 4.760 3.769 -4.012 396 HE1 TRP 57 1HE TRP 57 3.434 1.648 -3.404 397 HE3 TRP 57 3HE TRP 57 7.663 2.072 -0.162 398 HZ2 TRP 57 2HZ TRP 57 3.597 -0.464 -1.538 399 HZ3 TRP 57 3HZ TRP 57 7.009 -0.005 0.983 400 HH2 TRP 57 HH TRP 57 5.017 -1.245 0.308 401 H LYS 58 H LYS 58 9.115 5.092 -4.546 402 HA LYS 58 HA LYS 58 8.416 3.425 -6.661 403 HB2 LYS 58 1HB LYS 58 10.228 5.780 -6.368 404 HB3 LYS 58 2HB LYS 58 10.288 4.858 -7.864 405 HG2 LYS 58 1HG LYS 58 7.996 5.304 -8.324 406 HG3 LYS 58 2HG LYS 58 7.753 6.004 -6.722 407 HD2 LYS 58 1HD LYS 58 9.856 7.210 -8.431 408 HD3 LYS 58 2HD LYS 58 8.176 7.496 -8.890 409 HE2 LYS 58 1HE LYS 58 7.766 8.237 -6.524 410 HE3 LYS 58 2HE LYS 58 9.509 8.156 -6.270 411 HZ1 LYS 58 1HZ LYS 58 7.945 10.065 -7.834 412 HZ2 LYS 58 2HZ LYS 58 9.480 9.659 -8.417 413 HZ3 LYS 58 3HZ LYS 58 9.311 10.321 -6.869 414 H LYS 59 H LYS 59 11.598 3.896 -5.144 415 HA LYS 59 HA LYS 59 13.149 2.268 -6.718 416 HB2 LYS 59 1HB LYS 59 13.222 3.027 -3.837 417 HB3 LYS 59 2HB LYS 59 14.286 1.733 -4.371 418 HG2 LYS 59 1HG LYS 59 15.269 3.223 -6.037 419 HG3 LYS 59 2HG LYS 59 14.201 4.523 -5.502 420 HD2 LYS 59 1HD LYS 59 16.052 3.122 -3.597 421 HD3 LYS 59 2HD LYS 59 16.597 4.480 -4.584 422 HE2 LYS 59 1HE LYS 59 14.652 5.784 -3.647 423 HE3 LYS 59 2HE LYS 59 14.409 4.456 -2.514 424 HZ1 LYS 59 1HZ LYS 59 16.985 4.915 -2.137 425 HZ2 LYS 59 2HZ LYS 59 15.778 5.713 -1.260 426 HZ3 LYS 59 3HZ LYS 59 16.504 6.475 -2.585 427 H ALA 60 H ALA 60 11.327 1.269 -3.821 428 HA ALA 60 HA ALA 60 11.944 -1.451 -3.931 429 HB1 ALA 60 1HB ALA 60 10.542 -1.661 -2.182 430 HB2 ALA 60 2HB ALA 60 10.558 0.103 -2.213 431 HB3 ALA 60 3HB ALA 60 9.240 -0.781 -2.983 432 H ALA 61 H ALA 61 9.444 0.407 -5.570 433 HA ALA 61 HA ALA 61 7.972 -1.791 -6.573 434 HB1 ALA 61 1HB ALA 61 8.121 1.114 -7.171 435 HB2 ALA 61 2HB ALA 61 7.358 0.060 -8.362 436 HB3 ALA 61 3HB ALA 61 6.738 0.121 -6.712 437 H THR 62 H THR 62 10.709 0.048 -7.829 438 HA THR 62 HA THR 62 10.748 -1.020 -10.425 439 HB THR 62 HB THR 62 13.140 -0.111 -8.815 440 HG1 THR 62 1HG THR 62 11.155 1.303 -10.255 441 HG21 THR 62 1HG2 THR 62 12.716 -0.056 -11.801 442 HG22 THR 62 2HG2 THR 62 13.568 -1.352 -10.961 443 HG23 THR 62 3HG2 THR 62 14.201 0.294 -10.916 444 H ALA 63 H ALA 63 12.413 -2.059 -7.464 445 HA ALA 63 HA ALA 63 13.689 -4.289 -8.717 446 HB1 ALA 63 1HB ALA 63 13.273 -3.622 -5.806 447 HB2 ALA 63 2HB ALA 63 14.272 -4.948 -6.402 448 HB3 ALA 63 3HB ALA 63 14.703 -3.280 -6.780 449 H LEU 64 H LEU 64 10.928 -3.963 -6.493 450 HA LEU 64 HA LEU 64 10.277 -6.768 -6.745 451 HB2 LEU 64 1HB LEU 64 8.531 -4.679 -5.489 452 HB3 LEU 64 2HB LEU 64 8.628 -6.400 -5.122 453 HG LEU 64 HG LEU 64 10.895 -4.508 -4.549 454 HD11 LEU 64 1HD1 LEU 64 9.884 -4.834 -2.132 455 HD12 LEU 64 2HD1 LEU 64 8.379 -4.977 -3.040 456 HD13 LEU 64 3HD1 LEU 64 9.360 -3.519 -3.184 457 HD21 LEU 64 1HD2 LEU 64 10.256 -7.343 -4.014 458 HD22 LEU 64 2HD2 LEU 64 11.022 -6.446 -2.703 459 HD23 LEU 64 3HD2 LEU 64 11.813 -6.557 -4.276 460 H LYS 65 H LYS 65 10.025 -4.471 -8.903 461 HA LYS 65 HA LYS 65 7.420 -4.126 -9.693 462 HB2 LYS 65 1HB LYS 65 9.011 -2.963 -10.946 463 HB3 LYS 65 2HB LYS 65 9.976 -4.403 -11.240 464 HG2 LYS 65 1HG LYS 65 8.229 -5.250 -12.742 465 HG3 LYS 65 2HG LYS 65 7.299 -3.775 -12.470 466 HD2 LYS 65 1HD LYS 65 8.388 -3.237 -14.418 467 HD3 LYS 65 2HD LYS 65 9.528 -2.610 -13.226 468 HE2 LYS 65 1HE LYS 65 11.062 -4.256 -13.626 469 HE3 LYS 65 2HE LYS 65 9.837 -5.433 -14.096 470 HZ1 LYS 65 1HZ LYS 65 9.622 -4.421 -16.211 471 HZ2 LYS 65 2HZ LYS 65 11.280 -4.617 -15.939 472 HZ3 LYS 65 3HZ LYS 65 10.569 -3.092 -15.763 473 H ASP 66 H ASP 66 9.564 -6.807 -10.648 474 HA ASP 66 HA ASP 66 7.279 -8.250 -11.745 475 HB2 ASP 66 1HB ASP 66 10.254 -8.599 -11.887 476 HB3 ASP 66 2HB ASP 66 9.193 -9.953 -12.265 477 H VAL 67 H VAL 67 9.222 -8.141 -8.918 478 HA VAL 67 HA VAL 67 8.673 -10.840 -8.069 479 HB VAL 67 HB VAL 67 9.570 -8.708 -6.174 480 HG11 VAL 67 1HG1 VAL 67 10.150 -11.638 -6.546 481 HG12 VAL 67 2HG1 VAL 67 11.016 -10.615 -5.399 482 HG13 VAL 67 3HG1 VAL 67 9.279 -10.865 -5.222 483 HG21 VAL 67 1HG2 VAL 67 10.956 -8.171 -7.999 484 HG22 VAL 67 2HG2 VAL 67 11.932 -9.222 -6.973 485 HG23 VAL 67 3HG2 VAL 67 11.181 -9.866 -8.433 486 H VAL 68 H VAL 68 7.865 -7.686 -6.606 487 HA VAL 68 HA VAL 68 5.259 -8.817 -5.827 488 HB VAL 68 HB VAL 68 7.025 -7.044 -4.134 489 HG11 VAL 68 1HG1 VAL 68 4.180 -7.938 -3.821 490 HG12 VAL 68 2HG1 VAL 68 5.172 -7.525 -2.422 491 HG13 VAL 68 3HG1 VAL 68 4.857 -6.317 -3.668 492 HG21 VAL 68 1HG2 VAL 68 7.897 -9.145 -3.812 493 HG22 VAL 68 2HG2 VAL 68 6.645 -9.115 -2.571 494 HG23 VAL 68 3HG2 VAL 68 6.354 -9.949 -4.097 495 H LYS 69 H LYS 69 3.655 -7.717 -6.717 496 HA LYS 69 HA LYS 69 3.939 -5.325 -8.130 497 HB2 LYS 69 1HB LYS 69 1.517 -6.706 -6.984 498 HB3 LYS 69 2HB LYS 69 1.395 -5.234 -7.939 499 HG2 LYS 69 1HG LYS 69 2.899 -7.550 -9.051 500 HG3 LYS 69 2HG LYS 69 1.134 -7.588 -9.050 501 HD2 LYS 69 1HD LYS 69 0.978 -5.718 -10.443 502 HD3 LYS 69 2HD LYS 69 2.636 -5.216 -10.108 503 HE2 LYS 69 1HE LYS 69 3.361 -7.360 -11.253 504 HE3 LYS 69 2HE LYS 69 1.692 -7.518 -11.800 505 HZ1 LYS 69 1HZ LYS 69 1.864 -5.658 -13.134 506 HZ2 LYS 69 2HZ LYS 69 3.392 -6.361 -13.317 507 HZ3 LYS 69 3HZ LYS 69 3.192 -5.029 -12.293 508 H VAL 70 H VAL 70 4.758 -3.579 -7.104 509 HA VAL 70 HA VAL 70 3.667 -2.785 -4.513 510 HB VAL 70 HB VAL 70 5.955 -1.622 -6.108 511 HG11 VAL 70 1HG1 VAL 70 6.476 -0.482 -3.919 512 HG12 VAL 70 2HG1 VAL 70 5.062 0.128 -4.781 513 HG13 VAL 70 3HG1 VAL 70 4.857 -0.938 -3.391 514 HG21 VAL 70 1HG2 VAL 70 6.753 -3.659 -5.368 515 HG22 VAL 70 2HG2 VAL 70 7.207 -2.592 -4.040 516 HG23 VAL 70 3HG2 VAL 70 5.784 -3.624 -3.895 517 H GLY 71 H GLY 71 1.717 -1.828 -4.803 518 HA2 GLY 71 1HA GLY 71 1.433 0.194 -6.908 519 HA3 GLY 71 2HA GLY 71 0.122 -0.528 -5.988 520 H ALA 72 H ALA 72 -0.227 1.996 -6.125 521 HA ALA 72 HA ALA 72 0.483 2.997 -3.479 522 HB1 ALA 72 1HB ALA 72 2.122 3.811 -5.329 523 HB2 ALA 72 2HB ALA 72 0.795 4.886 -5.772 524 HB3 ALA 72 3HB ALA 72 1.487 4.962 -4.152 525 H VAL 73 H VAL 73 -1.312 3.678 -2.527 526 HA VAL 73 HA VAL 73 -3.512 4.676 -4.217 527 HB VAL 73 HB VAL 73 -3.520 2.962 -1.771 528 HG11 VAL 73 1HG1 VAL 73 -6.064 3.541 -1.730 529 HG12 VAL 73 2HG1 VAL 73 -4.910 4.570 -0.879 530 HG13 VAL 73 3HG1 VAL 73 -5.533 5.058 -2.456 531 HG21 VAL 73 1HG2 VAL 73 -5.001 2.985 -4.392 532 HG22 VAL 73 2HG2 VAL 73 -3.795 1.823 -3.840 533 HG23 VAL 73 3HG2 VAL 73 -5.381 1.879 -3.072 534 H ASN 74 H ASN 74 -4.028 6.742 -3.967 535 HA ASN 74 HA ASN 74 -2.778 8.368 -1.988 536 HB2 ASN 74 1HB ASN 74 -3.260 9.288 -4.179 537 HB3 ASN 74 2HB ASN 74 -4.981 8.980 -3.968 538 HD21 ASN 74 1HD2 ASN 74 -4.850 11.354 -4.572 539 HD22 ASN 74 2HD2 ASN 74 -4.781 12.473 -3.258 540 H ALA 75 H ALA 75 -3.442 7.553 0.017 541 HA ALA 75 HA ALA 75 -5.905 6.901 0.947 542 HB1 ALA 75 1HB ALA 75 -4.493 8.630 2.831 543 HB2 ALA 75 2HB ALA 75 -4.949 6.931 2.969 544 HB3 ALA 75 3HB ALA 75 -3.477 7.382 2.109 545 H ASP 76 H ASP 76 -4.655 10.164 0.451 546 HA ASP 76 HA ASP 76 -6.756 11.573 1.672 547 HB2 ASP 76 1HB ASP 76 -4.611 12.614 1.062 548 HB3 ASP 76 2HB ASP 76 -5.006 12.425 -0.645 549 H LYS 77 H LYS 77 -6.306 10.471 -1.663 550 HA LYS 77 HA LYS 77 -8.861 11.547 -2.489 551 HB2 LYS 77 1HB LYS 77 -7.152 11.614 -4.141 552 HB3 LYS 77 2HB LYS 77 -6.742 9.922 -3.889 553 HG2 LYS 77 1HG LYS 77 -9.213 9.526 -4.660 554 HG3 LYS 77 2HG LYS 77 -9.015 11.121 -5.390 555 HD2 LYS 77 1HD LYS 77 -7.037 8.896 -5.819 556 HD3 LYS 77 2HD LYS 77 -8.456 9.111 -6.848 557 HE2 LYS 77 1HE LYS 77 -7.714 11.246 -7.570 558 HE3 LYS 77 2HE LYS 77 -6.458 11.303 -6.333 559 HZ1 LYS 77 1HZ LYS 77 -5.092 9.981 -7.529 560 HZ2 LYS 77 2HZ LYS 77 -5.968 10.614 -8.829 561 HZ3 LYS 77 3HZ LYS 77 -6.348 9.083 -8.218 562 H HIS 78 H HIS 78 -7.442 8.271 -2.440 563 HA HIS 78 HA HIS 78 -10.060 7.067 -2.638 564 HB2 HIS 78 1HB HIS 78 -7.391 5.727 -2.165 565 HB3 HIS 78 2HB HIS 78 -8.881 4.949 -2.691 566 HD1 HIS 78 1HD HIS 78 -9.710 6.860 -4.945 567 HD2 HIS 78 2HD HIS 78 -5.836 5.470 -4.381 568 HE1 HIS 78 1HE HIS 78 -8.592 7.055 -7.189 569 HE2 HIS 78 2HE HIS 78 -6.276 6.129 -6.843 570 H GLN 79 H GLN 79 -9.758 8.672 -0.338 571 HA GLN 79 HA GLN 79 -9.004 7.623 2.026 572 HB2 GLN 79 1HB GLN 79 -11.377 9.243 1.233 573 HB3 GLN 79 2HB GLN 79 -11.322 8.605 2.871 574 HG2 GLN 79 1HG GLN 79 -8.931 9.646 2.889 575 HG3 GLN 79 2HG GLN 79 -9.562 10.620 1.561 576 HE21 GLN 79 1HE2 GLN 79 -9.794 12.563 2.469 577 HE22 GLN 79 2HE2 GLN 79 -10.751 12.898 3.868 578 H SER 80 H SER 80 -11.932 6.728 0.248 579 HA SER 80 HA SER 80 -13.141 5.068 2.091 580 HB2 SER 80 1HB SER 80 -14.046 5.733 -0.168 581 HB3 SER 80 2HB SER 80 -13.005 4.498 -0.877 582 HG SER 80 HG SER 80 -15.373 4.231 0.467 583 H LEU 81 H LEU 81 -10.699 4.184 -0.342 584 HA LEU 81 HA LEU 81 -10.509 1.475 0.240 585 HB2 LEU 81 1HB LEU 81 -8.471 3.442 -0.765 586 HB3 LEU 81 2HB LEU 81 -8.128 1.721 -0.608 587 HG LEU 81 HG LEU 81 -10.257 2.931 -2.372 588 HD11 LEU 81 1HD1 LEU 81 -7.641 3.090 -2.859 589 HD12 LEU 81 2HD1 LEU 81 -8.833 2.825 -4.130 590 HD13 LEU 81 3HD1 LEU 81 -7.935 1.461 -3.466 591 HD21 LEU 81 1HD2 LEU 81 -11.145 0.890 -2.306 592 HD22 LEU 81 2HD2 LEU 81 -9.763 0.233 -1.428 593 HD23 LEU 81 3HD2 LEU 81 -9.719 0.343 -3.189 594 H GLY 82 H GLY 82 -8.257 4.008 1.376 595 HA2 GLY 82 1HA GLY 82 -6.856 2.461 3.199 596 HA3 GLY 82 2HA GLY 82 -7.072 4.200 3.333 597 H GLY 83 H GLY 83 -9.549 4.673 3.990 598 HA2 GLY 83 1HA GLY 83 -9.770 3.981 6.677 599 HA3 GLY 83 2HA GLY 83 -11.080 4.623 5.698 600 H GLN 84 H GLN 84 -10.867 2.273 3.855 601 HA GLN 84 HA GLN 84 -12.787 0.636 5.170 602 HB2 GLN 84 1HB GLN 84 -12.851 0.984 2.754 603 HB3 GLN 84 2HB GLN 84 -11.285 0.201 2.583 604 HG2 GLN 84 1HG GLN 84 -12.150 -1.907 3.073 605 HG3 GLN 84 2HG GLN 84 -13.618 -1.239 3.784 606 HE21 GLN 84 1HE2 GLN 84 -11.857 -1.547 0.740 607 HE22 GLN 84 2HE2 GLN 84 -13.256 -1.578 -0.273 608 H TYR 85 H TYR 85 -9.394 0.665 5.137 609 HA TYR 85 HA TYR 85 -9.251 -2.153 5.961 610 HB2 TYR 85 1HB TYR 85 -7.225 -0.243 4.835 611 HB3 TYR 85 2HB TYR 85 -6.710 -1.674 5.720 612 HD1 TYR 85 1HD TYR 85 -9.166 -0.833 3.021 613 HD2 TYR 85 2HD TYR 85 -6.164 -3.498 4.431 614 HE1 TYR 85 1HE TYR 85 -9.404 -2.175 0.973 615 HE2 TYR 85 2HE TYR 85 -6.393 -4.847 2.387 616 HH TYR 85 HH TYR 85 -7.354 -4.104 -0.210 617 H GLY 86 H GLY 86 -8.360 1.128 6.927 618 HA2 GLY 86 1HA GLY 86 -8.808 1.396 9.432 619 HA3 GLY 86 2HA GLY 86 -7.638 0.095 9.592 620 H VAL 87 H VAL 87 -7.321 2.587 7.167 621 HA VAL 87 HA VAL 87 -4.747 3.332 8.242 622 HB VAL 87 HB VAL 87 -6.174 4.572 5.890 623 HG11 VAL 87 1HG1 VAL 87 -3.574 4.685 5.282 624 HG12 VAL 87 2HG1 VAL 87 -4.402 5.956 6.183 625 HG13 VAL 87 3HG1 VAL 87 -3.454 4.741 7.040 626 HG21 VAL 87 1HG2 VAL 87 -5.388 2.927 4.479 627 HG22 VAL 87 2HG2 VAL 87 -4.127 2.416 5.601 628 HG23 VAL 87 3HG2 VAL 87 -5.809 1.987 5.910 629 H GLN 88 H GLN 88 -4.404 4.923 9.636 630 HA GLN 88 HA GLN 88 -6.364 7.118 9.779 631 HB2 GLN 88 1HB GLN 88 -5.880 7.253 12.206 632 HB3 GLN 88 2HB GLN 88 -6.621 5.728 11.739 633 HG2 GLN 88 1HG GLN 88 -4.988 4.949 13.104 634 HG3 GLN 88 2HG GLN 88 -4.106 4.955 11.578 635 HE21 GLN 88 1HE2 GLN 88 -4.830 7.057 14.339 636 HE22 GLN 88 2HE2 GLN 88 -3.266 7.787 14.414 637 H GLY 89 H GLY 89 -2.999 6.133 10.086 638 HA2 GLY 89 1HA GLY 89 -2.236 8.960 9.706 639 HA3 GLY 89 2HA GLY 89 -1.391 7.936 10.857 640 H PHE 90 H PHE 90 -1.158 9.244 7.882 641 HA PHE 90 HA PHE 90 0.199 6.960 6.657 642 HB2 PHE 90 1HB PHE 90 0.119 9.504 5.176 643 HB3 PHE 90 2HB PHE 90 -0.279 7.874 4.642 644 HD1 PHE 90 2HD PHE 90 -2.373 7.261 6.727 645 HD2 PHE 90 1HD PHE 90 -1.706 10.686 4.290 646 HE1 PHE 90 2HE PHE 90 -4.768 7.809 6.847 647 HE2 PHE 90 1HE PHE 90 -4.100 11.240 4.407 648 HZ PHE 90 HZ PHE 90 -5.635 9.800 5.685 649 HA PRO 91 HA PRO 91 1.529 7.231 4.566 650 HB2 PRO 91 1HB PRO 91 3.810 5.782 4.309 651 HB3 PRO 91 2HB PRO 91 3.633 7.418 3.663 652 HG2 PRO 91 1HG PRO 91 4.944 6.512 6.198 653 HG3 PRO 91 2HG PRO 91 5.498 7.716 5.020 654 HD2 PRO 91 1HD PRO 91 4.300 8.402 7.349 655 HD3 PRO 91 2HD PRO 91 4.125 9.362 5.866 656 H THR 92 H THR 92 0.769 5.142 4.384 657 HA THR 92 HA THR 92 1.244 3.338 6.661 658 HB THR 92 HB THR 92 -1.423 4.000 5.406 659 HG1 THR 92 1HG THR 92 -1.316 5.341 7.058 660 HG21 THR 92 1HG2 THR 92 -0.561 1.504 6.405 661 HG22 THR 92 2HG2 THR 92 -2.201 1.992 5.975 662 HG23 THR 92 3HG2 THR 92 -1.621 2.205 7.627 663 H ILE 93 H ILE 93 2.473 1.820 5.685 664 HA ILE 93 HA ILE 93 1.789 0.847 3.034 665 HB ILE 93 HB ILE 93 4.029 0.045 4.895 666 HG12 ILE 93 1HG1 ILE 93 4.399 1.516 2.317 667 HG13 ILE 93 2HG1 ILE 93 3.879 2.412 3.740 668 HG21 ILE 93 1HG2 ILE 93 3.054 -1.081 2.383 669 HG22 ILE 93 2HG2 ILE 93 4.774 -0.695 2.370 670 HG23 ILE 93 3HG2 ILE 93 4.123 -1.778 3.600 671 HD11 ILE 93 1HD1 ILE 93 6.264 2.548 3.524 672 HD12 ILE 93 2HD1 ILE 93 5.864 1.577 4.941 673 HD13 ILE 93 3HD1 ILE 93 6.395 0.791 3.455 674 H LYS 94 H LYS 94 0.843 -1.058 2.576 675 HA LYS 94 HA LYS 94 0.301 -2.899 4.811 676 HB2 LYS 94 1HB LYS 94 -1.566 -1.845 2.707 677 HB3 LYS 94 2HB LYS 94 -1.867 -3.399 3.472 678 HG2 LYS 94 1HG LYS 94 -1.448 -0.903 5.080 679 HG3 LYS 94 2HG LYS 94 -3.032 -1.357 4.446 680 HD2 LYS 94 1HD LYS 94 -2.663 -3.607 5.581 681 HD3 LYS 94 2HD LYS 94 -1.315 -2.838 6.423 682 HE2 LYS 94 1HE LYS 94 -2.828 -1.168 7.346 683 HE3 LYS 94 2HE LYS 94 -4.178 -1.885 6.468 684 HZ1 LYS 94 1HZ LYS 94 -4.499 -3.180 8.218 685 HZ2 LYS 94 2HZ LYS 94 -3.091 -2.627 8.974 686 HZ3 LYS 94 3HZ LYS 94 -3.019 -3.938 7.907 687 H ILE 95 H ILE 95 0.505 -5.057 4.404 688 HA ILE 95 HA ILE 95 1.629 -5.765 1.785 689 HB ILE 95 HB ILE 95 1.822 -7.161 4.454 690 HG12 ILE 95 1HG1 ILE 95 4.164 -6.254 2.840 691 HG13 ILE 95 2HG1 ILE 95 3.233 -5.039 3.709 692 HG21 ILE 95 1HG2 ILE 95 3.480 -8.624 3.145 693 HG22 ILE 95 2HG2 ILE 95 1.756 -8.931 2.939 694 HG23 ILE 95 3HG2 ILE 95 2.645 -8.036 1.708 695 HD11 ILE 95 1HD1 ILE 95 4.406 -5.513 5.518 696 HD12 ILE 95 2HD1 ILE 95 3.693 -7.126 5.524 697 HD13 ILE 95 3HD1 ILE 95 5.219 -6.839 4.687 698 H PHE 96 H PHE 96 0.647 -7.175 0.462 699 HA PHE 96 HA PHE 96 -1.793 -8.497 1.453 700 HB2 PHE 96 1HB PHE 96 -1.144 -7.277 -1.220 701 HB3 PHE 96 2HB PHE 96 -2.424 -8.474 -1.050 702 HD1 PHE 96 1HD PHE 96 -1.275 -5.208 0.301 703 HD2 PHE 96 2HD PHE 96 -4.558 -7.811 -0.445 704 HE1 PHE 96 1HE PHE 96 -2.835 -3.432 0.987 705 HE2 PHE 96 2HE PHE 96 -6.123 -6.040 0.239 706 HZ PHE 96 HZ PHE 96 -5.262 -3.847 0.956 707 H GLY 97 H GLY 97 -1.774 -10.644 1.481 708 HA2 GLY 97 1HA GLY 97 -0.470 -12.179 -0.579 709 HA3 GLY 97 2HA GLY 97 0.347 -12.271 0.974 710 H ALA 98 H ALA 98 -0.615 -13.369 2.682 711 HA ALA 98 HA ALA 98 -1.993 -15.663 2.192 712 HB1 ALA 98 1HB ALA 98 -2.826 -14.582 4.740 713 HB2 ALA 98 2HB ALA 98 -1.783 -15.959 4.386 714 HB3 ALA 98 3HB ALA 98 -1.101 -14.334 4.462 715 H ASN 99 H ASN 99 -3.591 -12.847 3.694 716 HA ASN 99 HA ASN 99 -6.082 -13.679 2.359 717 HB2 ASN 99 1HB ASN 99 -6.029 -13.767 4.883 718 HB3 ASN 99 2HB ASN 99 -5.862 -12.014 4.871 719 HD21 ASN 99 1HD2 ASN 99 -7.847 -12.062 6.100 720 HD22 ASN 99 2HD2 ASN 99 -9.357 -12.173 5.268 721 H LYS 100 H LYS 100 -6.094 -12.483 0.524 722 HA LYS 100 HA LYS 100 -5.119 -9.900 0.184 723 HB2 LYS 100 1HB LYS 100 -7.180 -11.531 -1.261 724 HB3 LYS 100 2HB LYS 100 -6.906 -9.855 -1.719 725 HG2 LYS 100 1HG LYS 100 -4.856 -12.061 -1.712 726 HG3 LYS 100 2HG LYS 100 -5.623 -11.341 -3.129 727 HD2 LYS 100 1HD LYS 100 -4.664 -9.123 -2.321 728 HD3 LYS 100 2HD LYS 100 -3.676 -10.080 -1.214 729 HE2 LYS 100 1HE LYS 100 -3.739 -10.461 -4.204 730 HE3 LYS 100 2HE LYS 100 -2.540 -9.488 -3.353 731 HZ1 LYS 100 1HZ LYS 100 -1.390 -11.303 -2.878 732 HZ2 LYS 100 2HZ LYS 100 -2.448 -12.206 -3.839 733 HZ3 LYS 100 3HZ LYS 100 -2.735 -12.055 -2.179 734 H ASN 101 H ASN 101 -7.930 -10.973 1.808 735 HA ASN 101 HA ASN 101 -9.351 -8.462 1.575 736 HB2 ASN 101 1HB ASN 101 -9.882 -11.118 2.808 737 HB3 ASN 101 2HB ASN 101 -10.716 -9.729 3.498 738 HD21 ASN 101 1HD2 ASN 101 -10.225 -11.622 0.600 739 HD22 ASN 101 2HD2 ASN 101 -11.668 -11.117 -0.205 740 H LYS 102 H LYS 102 -7.138 -9.996 3.760 741 HA LYS 102 HA LYS 102 -7.208 -7.598 5.454 742 HB2 LYS 102 1HB LYS 102 -6.876 -10.376 6.584 743 HB3 LYS 102 2HB LYS 102 -7.094 -8.872 7.470 744 HG2 LYS 102 1HG LYS 102 -9.373 -8.691 6.604 745 HG3 LYS 102 2HG LYS 102 -9.154 -10.203 5.720 746 HD2 LYS 102 1HD LYS 102 -8.508 -11.122 8.097 747 HD3 LYS 102 2HD LYS 102 -9.451 -9.736 8.651 748 HE2 LYS 102 1HE LYS 102 -10.616 -11.489 6.549 749 HE3 LYS 102 2HE LYS 102 -10.565 -12.094 8.204 750 HZ1 LYS 102 1HZ LYS 102 -11.760 -10.116 8.921 751 HZ2 LYS 102 2HZ LYS 102 -12.644 -10.961 7.752 752 HZ3 LYS 102 3HZ LYS 102 -11.818 -9.547 7.328 753 HA PRO 103 HA PRO 103 -2.905 -8.263 4.093 754 HB2 PRO 103 1HB PRO 103 -2.240 -5.635 4.236 755 HB3 PRO 103 2HB PRO 103 -3.057 -6.345 2.838 756 HG2 PRO 103 1HG PRO 103 -4.214 -4.788 5.119 757 HG3 PRO 103 2HG PRO 103 -4.574 -4.670 3.386 758 HD2 PRO 103 1HD PRO 103 -6.169 -6.007 5.119 759 HD3 PRO 103 2HD PRO 103 -5.974 -6.501 3.425 760 H GLU 104 H GLU 104 -0.825 -7.348 5.120 761 HA GLU 104 HA GLU 104 -1.134 -7.523 8.034 762 HB2 GLU 104 1HB GLU 104 1.315 -7.967 6.317 763 HB3 GLU 104 2HB GLU 104 1.243 -8.163 8.063 764 HG2 GLU 104 1HG GLU 104 -0.273 -10.004 7.858 765 HG3 GLU 104 2HG GLU 104 -0.419 -9.746 6.120 766 H ASP 105 H ASP 105 0.158 -6.168 9.401 767 HA ASP 105 HA ASP 105 0.283 -3.459 8.440 768 HB2 ASP 105 1HB ASP 105 1.213 -4.483 11.124 769 HB3 ASP 105 2HB ASP 105 0.726 -2.842 10.709 770 H TYR 106 H TYR 106 1.935 -2.952 7.139 771 HA TYR 106 HA TYR 106 4.443 -4.170 7.078 772 HB2 TYR 106 1HB TYR 106 3.579 -2.818 5.228 773 HB3 TYR 106 2HB TYR 106 3.685 -1.369 6.221 774 HD1 TYR 106 1HD TYR 106 5.979 -0.606 6.994 775 HD2 TYR 106 2HD TYR 106 5.431 -3.566 3.988 776 HE1 TYR 106 1HE TYR 106 8.285 -0.239 6.221 777 HE2 TYR 106 2HE TYR 106 7.735 -3.208 3.207 778 HH TYR 106 HH TYR 106 10.054 -1.829 4.890 779 H GLN 107 H GLN 107 5.709 -4.302 8.826 780 HA GLN 107 HA GLN 107 6.208 -1.842 10.367 781 HB2 GLN 107 1HB GLN 107 5.196 -3.994 11.458 782 HB3 GLN 107 2HB GLN 107 6.855 -4.577 11.406 783 HG2 GLN 107 1HG GLN 107 6.813 -3.660 13.487 784 HG3 GLN 107 2HG GLN 107 7.362 -2.272 12.550 785 HE21 GLN 107 1HE2 GLN 107 4.305 -3.808 13.502 786 HE22 GLN 107 2HE2 GLN 107 3.496 -2.336 13.909 787 H GLY 108 H GLY 108 7.574 -2.146 8.002 788 HA2 GLY 108 1HA GLY 108 10.280 -2.912 8.913 789 HA3 GLY 108 2HA GLY 108 9.734 -3.085 7.252 790 H GLY 109 H GLY 109 11.889 -1.832 7.124 791 HA2 GLY 109 1HA GLY 109 11.922 0.919 7.823 792 HA3 GLY 109 2HA GLY 109 13.001 0.131 6.681 793 H ARG 110 H ARG 110 11.197 2.684 6.810 794 HA ARG 110 HA ARG 110 9.527 2.351 4.480 795 HB2 ARG 110 1HB ARG 110 10.223 4.744 6.182 796 HB3 ARG 110 2HB ARG 110 9.179 4.842 4.771 797 HG2 ARG 110 1HG ARG 110 7.903 2.897 6.027 798 HG3 ARG 110 2HG ARG 110 8.671 3.639 7.433 799 HD2 ARG 110 1HD ARG 110 6.979 5.096 5.405 800 HD3 ARG 110 2HD ARG 110 6.416 4.539 6.980 801 HE ARG 110 HE ARG 110 7.902 6.898 6.444 802 HH11 ARG 110 2HH1 ARG 110 7.483 4.365 8.795 803 HH12 ARG 110 1HH1 ARG 110 7.999 5.340 10.131 804 HH21 ARG 110 2HH2 ARG 110 8.585 8.192 8.195 805 HH22 ARG 110 1HH2 ARG 110 8.625 7.517 9.788 806 H THR 111 H THR 111 12.205 1.742 3.933 807 HA THR 111 HA THR 111 12.923 3.937 2.101 808 HB THR 111 HB THR 111 15.309 3.028 2.309 809 HG1 THR 111 1HG THR 111 14.040 1.772 4.518 810 HG21 THR 111 1HG2 THR 111 14.604 4.133 4.953 811 HG22 THR 111 2HG2 THR 111 14.050 5.064 3.562 812 HG23 THR 111 3HG2 THR 111 15.765 4.706 3.757 813 H GLY 112 H GLY 112 13.268 3.413 0.008 814 HA2 GLY 112 1HA GLY 112 12.224 1.292 -1.259 815 HA3 GLY 112 2HA GLY 112 13.673 2.088 -1.856 816 H GLU 113 H GLU 113 15.202 1.240 0.551 817 HA GLU 113 HA GLU 113 16.119 -1.262 -0.501 818 HB2 GLU 113 1HB GLU 113 17.026 -0.319 2.170 819 HB3 GLU 113 2HB GLU 113 17.958 -0.992 0.841 820 HG2 GLU 113 1HG GLU 113 17.022 1.814 1.255 821 HG3 GLU 113 2HG GLU 113 18.648 1.216 0.931 822 H ALA 114 H ALA 114 14.918 -0.334 2.731 823 HA ALA 114 HA ALA 114 14.684 -2.883 3.792 824 HB1 ALA 114 1HB ALA 114 13.921 -0.256 4.538 825 HB2 ALA 114 2HB ALA 114 12.537 -1.319 4.795 826 HB3 ALA 114 3HB ALA 114 14.084 -1.686 5.558 827 H ILE 115 H ILE 115 12.307 -1.014 1.938 828 HA ILE 115 HA ILE 115 10.128 -2.715 2.146 829 HB ILE 115 HB ILE 115 10.915 -1.116 -0.292 830 HG12 ILE 115 1HG1 ILE 115 8.923 -0.141 1.694 831 HG13 ILE 115 2HG1 ILE 115 10.623 -0.046 2.138 832 HG21 ILE 115 1HG2 ILE 115 9.147 -2.804 -0.664 833 HG22 ILE 115 2HG2 ILE 115 8.194 -2.046 0.612 834 HG23 ILE 115 3HG2 ILE 115 8.570 -1.149 -0.859 835 HD11 ILE 115 1HD1 ILE 115 9.610 1.055 -0.456 836 HD12 ILE 115 2HD1 ILE 115 9.571 1.989 1.039 837 HD13 ILE 115 3HD1 ILE 115 11.111 1.424 0.392 838 H VAL 116 H VAL 116 12.753 -2.757 -0.249 839 HA VAL 116 HA VAL 116 11.862 -4.829 -1.857 840 HB VAL 116 HB VAL 116 14.653 -3.982 -1.111 841 HG11 VAL 116 1HG1 VAL 116 13.796 -6.155 -3.011 842 HG12 VAL 116 2HG1 VAL 116 15.385 -5.387 -3.062 843 HG13 VAL 116 3HG1 VAL 116 14.886 -6.291 -1.632 844 HG21 VAL 116 1HG2 VAL 116 13.000 -2.611 -2.575 845 HG22 VAL 116 2HG2 VAL 116 14.669 -2.810 -3.106 846 HG23 VAL 116 3HG2 VAL 116 13.394 -3.800 -3.817 847 H ASP 117 H ASP 117 13.689 -4.981 1.170 848 HA ASP 117 HA ASP 117 13.982 -7.823 1.120 849 HB2 ASP 117 1HB ASP 117 15.345 -5.991 2.424 850 HB3 ASP 117 2HB ASP 117 14.113 -6.242 3.659 851 H ALA 118 H ALA 118 11.626 -5.585 2.414 852 HA ALA 118 HA ALA 118 10.290 -7.418 4.119 853 HB1 ALA 118 1HB ALA 118 8.365 -5.611 3.511 854 HB2 ALA 118 2HB ALA 118 9.612 -5.367 4.735 855 HB3 ALA 118 3HB ALA 118 9.822 -4.698 3.117 856 H ALA 119 H ALA 119 9.654 -6.313 0.801 857 HA ALA 119 HA ALA 119 7.306 -7.780 0.376 858 HB1 ALA 119 1HB ALA 119 8.551 -5.928 -1.051 859 HB2 ALA 119 2HB ALA 119 9.155 -7.348 -1.906 860 HB3 ALA 119 3HB ALA 119 7.419 -7.065 -1.784 861 H LEU 120 H LEU 120 10.699 -8.613 -0.249 862 HA LEU 120 HA LEU 120 10.197 -11.118 -1.441 863 HB2 LEU 120 1HB LEU 120 12.615 -10.117 0.052 864 HB3 LEU 120 2HB LEU 120 12.566 -11.601 -0.897 865 HG LEU 120 HG LEU 120 11.872 -9.036 -2.242 866 HD11 LEU 120 1HD1 LEU 120 14.250 -9.283 -0.802 867 HD12 LEU 120 2HD1 LEU 120 13.874 -8.099 -2.053 868 HD13 LEU 120 3HD1 LEU 120 14.682 -9.607 -2.481 869 HD21 LEU 120 1HD2 LEU 120 11.638 -11.049 -3.511 870 HD22 LEU 120 2HD2 LEU 120 13.252 -11.591 -3.047 871 HD23 LEU 120 3HD2 LEU 120 13.061 -10.192 -4.105 872 H SER 121 H SER 121 11.224 -10.313 1.877 873 HA SER 121 HA SER 121 11.317 -12.779 3.017 874 HB2 SER 121 1HB SER 121 11.588 -10.388 4.059 875 HB3 SER 121 2HB SER 121 9.896 -10.599 4.509 876 HG SER 121 HG SER 121 11.594 -11.337 6.046 877 H ALA 122 H ALA 122 8.399 -10.848 2.455 878 HA ALA 122 HA ALA 122 6.627 -12.762 3.615 879 HB1 ALA 122 1HB ALA 122 5.520 -10.809 3.641 880 HB2 ALA 122 2HB ALA 122 6.387 -10.180 2.240 881 HB3 ALA 122 3HB ALA 122 5.022 -11.273 2.014 882 H LEU 123 H LEU 123 7.568 -11.954 0.293 883 HA LEU 123 HA LEU 123 5.848 -13.522 -1.152 884 HB2 LEU 123 1HB LEU 123 7.656 -11.989 -2.010 885 HB3 LEU 123 2HB LEU 123 8.791 -13.312 -1.747 886 HG LEU 123 HG LEU 123 8.220 -13.246 -4.069 887 HD11 LEU 123 1HD1 LEU 123 6.560 -15.499 -3.003 888 HD12 LEU 123 2HD1 LEU 123 8.307 -15.465 -2.772 889 HD13 LEU 123 3HD1 LEU 123 7.634 -15.471 -4.401 890 HD21 LEU 123 1HD2 LEU 123 5.953 -13.408 -4.887 891 HD22 LEU 123 2HD2 LEU 123 6.100 -12.008 -3.824 892 HD23 LEU 123 3HD2 LEU 123 5.331 -13.484 -3.239 893 H ARG 124 H ARG 124 9.016 -14.553 0.121 894 HA ARG 124 HA ARG 124 8.702 -17.264 -0.636 895 HB2 ARG 124 1HB ARG 124 10.624 -17.676 0.873 896 HB3 ARG 124 2HB ARG 124 10.906 -16.349 -0.247 897 HG2 ARG 124 1HG ARG 124 10.150 -14.824 1.664 898 HG3 ARG 124 2HG ARG 124 10.376 -16.236 2.698 899 HD2 ARG 124 1HD ARG 124 12.510 -15.182 0.856 900 HD3 ARG 124 2HD ARG 124 12.341 -14.660 2.531 901 HE ARG 124 HE ARG 124 12.520 -17.517 2.176 902 HH11 ARG 124 2HH1 ARG 124 14.268 -14.548 2.677 903 HH12 ARG 124 1HH1 ARG 124 15.658 -15.329 3.356 904 HH21 ARG 124 2HH2 ARG 124 14.343 -18.556 3.068 905 HH22 ARG 124 1HH2 ARG 124 15.700 -17.609 3.577 906 H SER 125 H SER 125 8.206 -15.552 2.432 907 HA SER 125 HA SER 125 7.732 -17.462 4.238 908 HB2 SER 125 1HB SER 125 5.999 -15.044 3.695 909 HB3 SER 125 2HB SER 125 5.851 -16.042 5.142 910 HG SER 125 HG SER 125 8.365 -15.521 5.028 911 H GLY 126 H GLY 126 5.225 -16.399 1.929 912 HA2 GLY 126 1HA GLY 126 4.304 -19.002 1.376 913 HA3 GLY 126 2HA GLY 126 3.302 -18.309 2.642 914 HA PRO 127 HA PRO 127 2.751 -15.823 -1.520 915 HB2 PRO 127 1HB PRO 127 3.054 -17.384 -3.720 916 HB3 PRO 127 2HB PRO 127 4.375 -16.437 -3.024 917 HG2 PRO 127 1HG PRO 127 3.757 -19.349 -2.703 918 HG3 PRO 127 2HG PRO 127 5.323 -18.560 -2.966 919 HD2 PRO 127 1HD PRO 127 4.503 -19.392 -0.523 920 HD3 PRO 127 2HD PRO 127 5.539 -17.968 -0.749 921 H SER 128 H SER 128 0.633 -16.018 -0.651 922 HA SER 128 HA SER 128 -1.149 -18.000 -0.596 923 HB2 SER 128 1HB SER 128 -2.909 -16.420 -0.802 924 HB3 SER 128 2HB SER 128 -1.552 -15.523 -0.123 925 HG SER 128 HG SER 128 -1.611 -14.286 -1.808 926 H SER 129 H SER 129 -2.309 -19.280 -1.933 927 HA SER 129 HA SER 129 -1.834 -18.957 -4.822 928 HB2 SER 129 1HB SER 129 -2.300 -21.424 -4.949 929 HB3 SER 129 2HB SER 129 -0.852 -21.009 -4.033 930 HG SER 129 HG SER 129 -1.964 -22.465 -2.809 931 H GLY 130 H GLY 130 -3.527 -18.886 -6.210 932 HA2 GLY 130 1HA GLY 130 -5.973 -19.864 -6.268 933 HA3 GLY 130 2HA GLY 130 -6.183 -18.662 -5.004 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -12.849 -6.151 -16.308 2 HA2 GLY 1 1HA GLY 1 -12.006 -4.513 -14.272 3 HA3 GLY 1 2HA GLY 1 -10.523 -5.108 -15.004 4 H SER 2 H SER 2 -12.335 -2.499 -14.937 5 HA SER 2 HA SER 2 -11.511 -1.663 -17.593 6 HB2 SER 2 1HB SER 2 -13.801 -0.701 -18.059 7 HB3 SER 2 2HB SER 2 -13.707 -2.461 -18.124 8 HG SER 2 HG SER 2 -14.925 -2.606 -16.387 9 H SER 3 H SER 3 -11.515 0.635 -17.869 10 HA SER 3 HA SER 3 -11.615 2.104 -15.315 11 HB2 SER 3 1HB SER 3 -9.318 1.890 -16.071 12 HB3 SER 3 2HB SER 3 -9.752 2.498 -17.668 13 HG SER 3 HG SER 3 -10.382 4.470 -16.583 14 H GLY 4 H GLY 4 -13.576 3.078 -15.420 15 HA2 GLY 4 1HA GLY 4 -14.517 4.287 -17.877 16 HA3 GLY 4 2HA GLY 4 -15.356 4.268 -16.333 17 H SER 5 H SER 5 -14.781 5.830 -14.734 18 HA SER 5 HA SER 5 -13.521 8.229 -15.894 19 HB2 SER 5 1HB SER 5 -14.955 9.564 -14.432 20 HB3 SER 5 2HB SER 5 -15.937 8.486 -15.424 21 HG SER 5 HG SER 5 -15.106 7.630 -12.886 22 H SER 6 H SER 6 -11.897 6.316 -14.749 23 HA SER 6 HA SER 6 -11.189 7.493 -12.143 24 HB2 SER 6 1HB SER 6 -10.630 4.734 -13.252 25 HB3 SER 6 2HB SER 6 -9.952 5.347 -11.744 26 HG SER 6 HG SER 6 -12.694 4.961 -12.361 27 H GLY 7 H GLY 7 -9.988 9.203 -13.056 28 HA2 GLY 7 1HA GLY 7 -7.285 8.419 -13.805 29 HA3 GLY 7 2HA GLY 7 -8.171 9.359 -14.996 30 H ALA 8 H ALA 8 -5.783 9.788 -13.053 31 HA ALA 8 HA ALA 8 -6.422 12.568 -12.542 32 HB1 ALA 8 1HB ALA 8 -7.098 12.087 -10.441 33 HB2 ALA 8 2HB ALA 8 -6.219 10.558 -10.390 34 HB3 ALA 8 3HB ALA 8 -5.362 12.077 -10.126 35 H VAL 9 H VAL 9 -4.519 13.817 -11.885 36 HA VAL 9 HA VAL 9 -2.007 12.522 -12.729 37 HB VAL 9 HB VAL 9 -2.763 15.418 -13.139 38 HG11 VAL 9 1HG1 VAL 9 -0.354 13.812 -13.975 39 HG12 VAL 9 2HG1 VAL 9 -0.733 15.423 -14.587 40 HG13 VAL 9 3HG1 VAL 9 -0.393 15.187 -12.872 41 HG21 VAL 9 1HG2 VAL 9 -2.763 14.765 -15.567 42 HG22 VAL 9 2HG2 VAL 9 -2.738 13.082 -15.041 43 HG23 VAL 9 3HG2 VAL 9 -4.101 14.118 -14.616 44 H SER 10 H SER 10 -3.486 14.969 -10.654 45 HA SER 10 HA SER 10 -1.409 16.073 -9.332 46 HB2 SER 10 1HB SER 10 -3.956 16.271 -8.884 47 HB3 SER 10 2HB SER 10 -3.700 14.966 -7.726 48 HG SER 10 HG SER 10 -1.982 16.385 -6.858 49 H GLY 11 H GLY 11 -2.601 12.784 -8.915 50 HA2 GLY 11 1HA GLY 11 -1.433 11.888 -6.654 51 HA3 GLY 11 2HA GLY 11 -1.458 10.931 -8.127 52 H LEU 12 H LEU 12 0.519 11.939 -5.779 53 HA LEU 12 HA LEU 12 2.770 13.054 -6.859 54 HB2 LEU 12 1HB LEU 12 2.780 10.768 -4.897 55 HB3 LEU 12 2HB LEU 12 4.038 11.984 -5.113 56 HG LEU 12 HG LEU 12 1.255 12.627 -4.152 57 HD11 LEU 12 1HD1 LEU 12 1.859 12.306 -1.985 58 HD12 LEU 12 2HD1 LEU 12 3.569 12.601 -2.298 59 HD13 LEU 12 3HD1 LEU 12 2.848 11.051 -2.731 60 HD21 LEU 12 1HD2 LEU 12 2.557 14.635 -3.251 61 HD22 LEU 12 2HD2 LEU 12 2.243 14.577 -4.986 62 HD23 LEU 12 3HD2 LEU 12 3.836 14.145 -4.363 63 H TYR 13 H TYR 13 1.887 9.616 -6.879 64 HA TYR 13 HA TYR 13 4.204 8.940 -8.482 65 HB2 TYR 13 1HB TYR 13 1.876 7.198 -7.647 66 HB3 TYR 13 2HB TYR 13 3.405 6.646 -8.322 67 HD1 TYR 13 2HD TYR 13 1.953 8.429 -5.397 68 HD2 TYR 13 1HD TYR 13 5.198 6.132 -6.913 69 HE1 TYR 13 2HE TYR 13 2.885 8.259 -3.128 70 HE2 TYR 13 1HE TYR 13 6.139 5.955 -4.648 71 HH TYR 13 HH TYR 13 5.957 6.585 -2.524 72 H SER 14 H SER 14 4.085 7.975 -10.567 73 HA SER 14 HA SER 14 1.606 8.526 -12.052 74 HB2 SER 14 1HB SER 14 4.373 9.491 -12.611 75 HB3 SER 14 2HB SER 14 3.358 9.053 -13.985 76 HG SER 14 HG SER 14 3.226 11.227 -12.348 77 H SER 15 H SER 15 1.508 7.369 -14.150 78 HA SER 15 HA SER 15 1.944 4.622 -13.809 79 HB2 SER 15 1HB SER 15 1.219 6.316 -16.187 80 HB3 SER 15 2HB SER 15 1.482 4.581 -16.361 81 HG SER 15 HG SER 15 -0.186 4.209 -14.919 82 H SER 16 H SER 16 3.868 7.112 -15.345 83 HA SER 16 HA SER 16 5.606 5.626 -16.885 84 HB2 SER 16 1HB SER 16 7.268 7.435 -16.464 85 HB3 SER 16 2HB SER 16 5.670 8.053 -16.885 86 HG SER 16 HG SER 16 5.706 9.075 -15.063 87 H ASP 17 H ASP 17 5.913 6.409 -13.430 88 HA ASP 17 HA ASP 17 8.331 5.103 -12.956 89 HB2 ASP 17 1HB ASP 17 6.168 5.119 -10.881 90 HB3 ASP 17 2HB ASP 17 7.898 5.387 -10.688 91 H ASP 18 H ASP 18 8.199 3.205 -11.135 92 HA ASP 18 HA ASP 18 7.163 0.936 -12.618 93 HB2 ASP 18 1HB ASP 18 8.731 0.941 -10.033 94 HB3 ASP 18 2HB ASP 18 8.470 -0.428 -11.110 95 H VAL 19 H VAL 19 6.322 2.834 -9.879 96 HA VAL 19 HA VAL 19 4.791 0.918 -8.458 97 HB VAL 19 HB VAL 19 4.576 3.932 -8.490 98 HG11 VAL 19 1HG1 VAL 19 2.884 3.836 -7.040 99 HG12 VAL 19 2HG1 VAL 19 2.706 2.148 -7.521 100 HG13 VAL 19 3HG1 VAL 19 3.659 2.565 -6.096 101 HG21 VAL 19 1HG2 VAL 19 6.214 4.008 -6.952 102 HG22 VAL 19 2HG2 VAL 19 5.663 2.541 -6.143 103 HG23 VAL 19 3HG2 VAL 19 6.653 2.426 -7.598 104 H ILE 20 H ILE 20 2.731 0.254 -8.680 105 HA ILE 20 HA ILE 20 1.301 1.080 -11.075 106 HB ILE 20 HB ILE 20 0.764 -1.118 -9.078 107 HG12 ILE 20 1HG1 ILE 20 1.399 -1.430 -12.000 108 HG13 ILE 20 2HG1 ILE 20 2.686 -1.232 -10.816 109 HG21 ILE 20 1HG2 ILE 20 -1.367 -0.418 -9.848 110 HG22 ILE 20 2HG2 ILE 20 -0.793 -0.270 -11.508 111 HG23 ILE 20 3HG2 ILE 20 -0.949 -1.863 -10.768 112 HD11 ILE 20 1HD1 ILE 20 0.670 -3.450 -10.986 113 HD12 ILE 20 2HD1 ILE 20 2.419 -3.551 -11.190 114 HD13 ILE 20 3HD1 ILE 20 1.735 -3.205 -9.602 115 H GLU 21 H GLU 21 -0.247 2.560 -11.056 116 HA GLU 21 HA GLU 21 -1.127 3.820 -8.680 117 HB2 GLU 21 1HB GLU 21 -1.039 4.682 -11.156 118 HB3 GLU 21 2HB GLU 21 -2.664 4.016 -11.242 119 HG2 GLU 21 1HG GLU 21 -3.190 5.408 -9.192 120 HG3 GLU 21 2HG GLU 21 -1.654 6.224 -9.480 121 H LEU 22 H LEU 22 -2.204 2.569 -7.247 122 HA LEU 22 HA LEU 22 -4.295 0.765 -8.120 123 HB2 LEU 22 1HB LEU 22 -3.101 1.441 -5.450 124 HB3 LEU 22 2HB LEU 22 -4.534 0.426 -5.598 125 HG LEU 22 HG LEU 22 -1.801 -0.179 -6.726 126 HD11 LEU 22 1HD1 LEU 22 -2.257 -0.341 -4.191 127 HD12 LEU 22 2HD1 LEU 22 -1.518 -1.714 -5.014 128 HD13 LEU 22 3HD1 LEU 22 -3.237 -1.744 -4.619 129 HD21 LEU 22 1HD2 LEU 22 -2.797 -2.387 -7.244 130 HD22 LEU 22 2HD2 LEU 22 -3.499 -1.068 -8.181 131 HD23 LEU 22 3HD2 LEU 22 -4.379 -1.741 -6.808 132 H THR 23 H THR 23 -6.436 1.113 -8.019 133 HA THR 23 HA THR 23 -7.409 3.496 -6.599 134 HB THR 23 HB THR 23 -8.467 4.411 -8.388 135 HG1 THR 23 1HG THR 23 -9.899 2.936 -9.045 136 HG21 THR 23 1HG2 THR 23 -5.949 3.789 -8.959 137 HG22 THR 23 2HG2 THR 23 -6.998 4.584 -10.133 138 HG23 THR 23 3HG2 THR 23 -6.731 2.843 -10.224 139 HA PRO 24 HA PRO 24 -10.684 0.994 -5.091 140 HB2 PRO 24 1HB PRO 24 -12.807 2.684 -5.158 141 HB3 PRO 24 2HB PRO 24 -11.482 2.851 -4.000 142 HG2 PRO 24 1HG PRO 24 -11.951 4.319 -6.566 143 HG3 PRO 24 2HG PRO 24 -11.415 4.950 -4.998 144 HD2 PRO 24 1HD PRO 24 -9.700 4.465 -7.036 145 HD3 PRO 24 2HD PRO 24 -9.235 4.282 -5.332 146 H SER 25 H SER 25 -10.275 1.298 -8.176 147 HA SER 25 HA SER 25 -12.892 0.153 -8.901 148 HB2 SER 25 1HB SER 25 -11.201 2.169 -10.321 149 HB3 SER 25 2HB SER 25 -12.152 1.038 -11.283 150 HG SER 25 HG SER 25 -13.269 3.005 -10.772 151 H ASN 26 H ASN 26 -9.471 -0.134 -8.922 152 HA ASN 26 HA ASN 26 -9.704 -2.659 -10.421 153 HB2 ASN 26 1HB ASN 26 -7.167 -2.104 -10.943 154 HB3 ASN 26 2HB ASN 26 -8.464 -1.458 -11.944 155 HD21 ASN 26 1HD2 ASN 26 -5.814 -0.737 -9.987 156 HD22 ASN 26 2HD2 ASN 26 -6.000 0.980 -9.942 157 H PHE 27 H PHE 27 -8.587 -0.993 -7.641 158 HA PHE 27 HA PHE 27 -6.507 -2.300 -6.594 159 HB2 PHE 27 1HB PHE 27 -7.944 -0.622 -5.403 160 HB3 PHE 27 2HB PHE 27 -9.069 -1.925 -5.033 161 HD1 PHE 27 1HD PHE 27 -7.910 -4.041 -3.911 162 HD2 PHE 27 2HD PHE 27 -6.398 -0.064 -3.808 163 HE1 PHE 27 1HE PHE 27 -6.613 -4.590 -1.893 164 HE2 PHE 27 2HE PHE 27 -5.098 -0.606 -1.791 165 HZ PHE 27 HZ PHE 27 -5.204 -2.871 -0.831 166 H ASN 28 H ASN 28 -9.708 -3.676 -7.036 167 HA ASN 28 HA ASN 28 -9.053 -6.132 -5.676 168 HB2 ASN 28 1HB ASN 28 -11.373 -5.131 -5.801 169 HB3 ASN 28 2HB ASN 28 -11.410 -5.613 -7.494 170 HD21 ASN 28 1HD2 ASN 28 -11.330 -7.848 -8.002 171 HD22 ASN 28 2HD2 ASN 28 -11.857 -9.029 -6.856 172 H ARG 29 H ARG 29 -9.426 -5.061 -9.029 173 HA ARG 29 HA ARG 29 -8.828 -7.664 -10.102 174 HB2 ARG 29 1HB ARG 29 -9.369 -4.956 -11.247 175 HB3 ARG 29 2HB ARG 29 -8.600 -6.169 -12.261 176 HG2 ARG 29 1HG ARG 29 -10.812 -6.491 -12.762 177 HG3 ARG 29 2HG ARG 29 -10.575 -7.675 -11.475 178 HD2 ARG 29 1HD ARG 29 -11.372 -5.871 -9.875 179 HD3 ARG 29 2HD ARG 29 -11.882 -4.972 -11.304 180 HE ARG 29 HE ARG 29 -12.887 -7.671 -11.172 181 HH11 ARG 29 2HH1 ARG 29 -13.428 -4.343 -10.305 182 HH12 ARG 29 1HH1 ARG 29 -15.143 -4.528 -10.145 183 HH21 ARG 29 2HH2 ARG 29 -15.144 -7.927 -10.965 184 HH22 ARG 29 1HH2 ARG 29 -16.118 -6.567 -10.520 185 H GLU 30 H GLU 30 -6.972 -5.298 -8.708 186 HA GLU 30 HA GLU 30 -4.616 -5.935 -10.349 187 HB2 GLU 30 1HB GLU 30 -5.425 -3.562 -8.752 188 HB3 GLU 30 2HB GLU 30 -3.711 -3.949 -8.805 189 HG2 GLU 30 1HG GLU 30 -5.384 -3.666 -11.281 190 HG3 GLU 30 2HG GLU 30 -4.558 -2.305 -10.523 191 H VAL 31 H VAL 31 -5.643 -5.539 -6.967 192 HA VAL 31 HA VAL 31 -3.312 -7.089 -6.099 193 HB VAL 31 HB VAL 31 -5.326 -5.546 -4.457 194 HG11 VAL 31 1HG1 VAL 31 -3.612 -5.858 -2.644 195 HG12 VAL 31 2HG1 VAL 31 -4.480 -7.319 -3.118 196 HG13 VAL 31 3HG1 VAL 31 -2.832 -7.047 -3.686 197 HG21 VAL 31 1HG2 VAL 31 -3.916 -3.761 -4.450 198 HG22 VAL 31 2HG2 VAL 31 -2.473 -4.757 -4.637 199 HG23 VAL 31 3HG2 VAL 31 -3.498 -4.420 -6.032 200 H ILE 32 H ILE 32 -6.744 -6.916 -5.132 201 HA ILE 32 HA ILE 32 -6.938 -9.348 -3.871 202 HB ILE 32 HB ILE 32 -9.095 -8.109 -5.584 203 HG12 ILE 32 1HG1 ILE 32 -8.157 -6.517 -3.946 204 HG13 ILE 32 2HG1 ILE 32 -9.815 -6.958 -3.554 205 HG21 ILE 32 1HG2 ILE 32 -10.295 -9.281 -3.416 206 HG22 ILE 32 2HG2 ILE 32 -10.189 -9.978 -5.032 207 HG23 ILE 32 3HG2 ILE 32 -9.003 -10.417 -3.804 208 HD11 ILE 32 1HD1 ILE 32 -8.946 -8.566 -1.893 209 HD12 ILE 32 2HD1 ILE 32 -7.316 -7.986 -2.237 210 HD13 ILE 32 3HD1 ILE 32 -8.513 -6.892 -1.546 211 H GLN 33 H GLN 33 -7.022 -8.671 -7.315 212 HA GLN 33 HA GLN 33 -7.549 -11.479 -7.920 213 HB2 GLN 33 1HB GLN 33 -7.427 -8.992 -9.616 214 HB3 GLN 33 2HB GLN 33 -7.508 -10.602 -10.320 215 HG2 GLN 33 1HG GLN 33 -9.578 -9.047 -8.888 216 HG3 GLN 33 2HG GLN 33 -9.715 -10.090 -10.303 217 HE21 GLN 33 1HE2 GLN 33 -10.018 -9.852 -6.921 218 HE22 GLN 33 2HE2 GLN 33 -10.464 -11.491 -6.609 219 H SER 34 H SER 34 -5.035 -10.635 -6.694 220 HA SER 34 HA SER 34 -3.211 -11.617 -8.783 221 HB2 SER 34 1HB SER 34 -2.795 -9.229 -8.528 222 HB3 SER 34 2HB SER 34 -2.634 -9.418 -6.783 223 HG SER 34 HG SER 34 -0.870 -10.126 -8.828 224 H ASP 35 H ASP 35 -3.152 -13.695 -8.013 225 HA ASP 35 HA ASP 35 -3.059 -14.551 -5.388 226 HB2 ASP 35 1HB ASP 35 -3.340 -16.016 -7.391 227 HB3 ASP 35 2HB ASP 35 -1.616 -15.848 -7.708 228 H GLY 36 H GLY 36 -0.652 -12.911 -7.184 229 HA2 GLY 36 1HA GLY 36 1.603 -13.848 -5.661 230 HA3 GLY 36 2HA GLY 36 1.596 -12.512 -6.802 231 H LEU 37 H LEU 37 3.049 -11.687 -5.009 232 HA LEU 37 HA LEU 37 1.656 -10.721 -2.654 233 HB2 LEU 37 1HB LEU 37 4.141 -11.570 -2.922 234 HB3 LEU 37 2HB LEU 37 4.428 -9.882 -3.338 235 HG LEU 37 HG LEU 37 3.325 -9.310 -1.115 236 HD11 LEU 37 1HD1 LEU 37 2.224 -11.334 -0.570 237 HD12 LEU 37 2HD1 LEU 37 3.549 -11.159 0.580 238 HD13 LEU 37 3HD1 LEU 37 3.701 -12.276 -0.777 239 HD21 LEU 37 1HD2 LEU 37 5.461 -8.912 -0.664 240 HD22 LEU 37 2HD2 LEU 37 5.982 -10.200 -1.751 241 HD23 LEU 37 3HD2 LEU 37 5.597 -10.567 -0.069 242 H TRP 38 H TRP 38 1.080 -8.643 -2.243 243 HA TRP 38 HA TRP 38 1.700 -6.620 -4.285 244 HB2 TRP 38 1HB TRP 38 -0.936 -7.617 -3.435 245 HB3 TRP 38 2HB TRP 38 -0.791 -5.862 -3.454 246 HD1 TRP 38 HD TRP 38 -0.968 -8.874 -5.757 247 HE1 TRP 38 1HE TRP 38 -1.191 -8.061 -8.189 248 HE3 TRP 38 3HE TRP 38 -0.124 -3.885 -5.025 249 HZ2 TRP 38 2HZ TRP 38 -1.029 -5.626 -9.609 250 HZ3 TRP 38 3HZ TRP 38 -0.175 -2.382 -6.972 251 HH2 TRP 38 HH TRP 38 -0.618 -3.237 -9.216 252 H LEU 39 H LEU 39 2.434 -4.757 -3.481 253 HA LEU 39 HA LEU 39 2.153 -4.304 -0.586 254 HB2 LEU 39 1HB LEU 39 4.366 -3.893 -2.504 255 HB3 LEU 39 2HB LEU 39 4.170 -2.670 -1.251 256 HG LEU 39 HG LEU 39 4.485 -5.613 -0.682 257 HD11 LEU 39 1HD1 LEU 39 6.752 -4.097 0.101 258 HD12 LEU 39 2HD1 LEU 39 6.436 -3.776 -1.604 259 HD13 LEU 39 3HD1 LEU 39 6.661 -5.434 -1.047 260 HD21 LEU 39 1HD2 LEU 39 3.595 -4.783 1.243 261 HD22 LEU 39 2HD2 LEU 39 4.196 -3.150 0.951 262 HD23 LEU 39 3HD2 LEU 39 5.293 -4.404 1.533 263 H VAL 40 H VAL 40 0.429 -2.992 -0.360 264 HA VAL 40 HA VAL 40 0.210 -0.642 -2.109 265 HB VAL 40 HB VAL 40 -1.871 -1.636 -0.166 266 HG11 VAL 40 1HG1 VAL 40 -1.673 0.558 -2.094 267 HG12 VAL 40 2HG1 VAL 40 -3.154 -0.392 -2.227 268 HG13 VAL 40 3HG1 VAL 40 -2.727 0.368 -0.693 269 HG21 VAL 40 1HG2 VAL 40 -1.041 -2.759 -2.703 270 HG22 VAL 40 2HG2 VAL 40 -2.165 -3.396 -1.502 271 HG23 VAL 40 3HG2 VAL 40 -2.733 -2.261 -2.727 272 H GLU 41 H GLU 41 0.817 1.274 -1.364 273 HA GLU 41 HA GLU 41 0.968 1.661 1.553 274 HB2 GLU 41 1HB GLU 41 3.174 1.822 0.834 275 HB3 GLU 41 2HB GLU 41 2.729 2.590 -0.684 276 HG2 GLU 41 1HG GLU 41 2.045 4.152 1.690 277 HG3 GLU 41 2HG GLU 41 3.771 3.866 1.480 278 H PHE 42 H PHE 42 -0.497 3.005 2.340 279 HA PHE 42 HA PHE 42 -1.968 4.776 0.591 280 HB2 PHE 42 1HB PHE 42 -2.195 4.306 3.571 281 HB3 PHE 42 2HB PHE 42 -3.309 5.272 2.608 282 HD1 PHE 42 1HD PHE 42 -1.968 1.845 3.039 283 HD2 PHE 42 2HD PHE 42 -5.102 4.275 1.493 284 HE1 PHE 42 1HE PHE 42 -3.290 -0.173 2.557 285 HE2 PHE 42 2HE PHE 42 -6.430 2.261 1.009 286 HZ PHE 42 HZ PHE 42 -5.525 0.033 1.542 287 H TYR 43 H TYR 43 -0.831 6.533 -0.016 288 HA TYR 43 HA TYR 43 0.523 8.096 2.077 289 HB2 TYR 43 1HB TYR 43 1.967 8.968 0.428 290 HB3 TYR 43 2HB TYR 43 1.822 7.258 0.038 291 HD1 TYR 43 1HD TYR 43 0.594 10.632 -0.896 292 HD2 TYR 43 2HD TYR 43 1.024 6.564 -2.066 293 HE1 TYR 43 1HE TYR 43 -0.113 11.220 -3.177 294 HE2 TYR 43 2HE TYR 43 0.320 7.141 -4.351 295 HH TYR 43 HH TYR 43 -0.804 8.799 -5.567 296 H ALA 44 H ALA 44 0.595 10.537 1.420 297 HA ALA 44 HA ALA 44 -2.032 11.395 0.425 298 HB1 ALA 44 1HB ALA 44 -2.465 11.549 2.691 299 HB2 ALA 44 2HB ALA 44 -0.811 12.023 3.080 300 HB3 ALA 44 3HB ALA 44 -1.899 13.175 2.306 301 HA PRO 45 HA PRO 45 0.684 14.038 -1.918 302 HB2 PRO 45 1HB PRO 45 -1.283 15.316 -3.284 303 HB3 PRO 45 2HB PRO 45 -0.744 13.680 -3.682 304 HG2 PRO 45 1HG PRO 45 -3.129 14.557 -2.099 305 HG3 PRO 45 2HG PRO 45 -3.009 13.287 -3.330 306 HD2 PRO 45 1HD PRO 45 -3.003 12.748 -0.677 307 HD3 PRO 45 2HD PRO 45 -2.108 11.764 -1.853 308 H TRP 46 H TRP 46 -1.175 14.807 0.673 309 HA TRP 46 HA TRP 46 -0.623 17.691 0.416 310 HB2 TRP 46 1HB TRP 46 -2.444 18.013 2.094 311 HB3 TRP 46 2HB TRP 46 -3.001 17.318 0.574 312 HD1 TRP 46 HD TRP 46 -4.438 15.202 0.775 313 HE1 TRP 46 1HE TRP 46 -4.970 13.514 2.644 314 HE3 TRP 46 3HE TRP 46 -1.185 16.888 4.340 315 HZ2 TRP 46 2HZ TRP 46 -4.123 12.971 5.281 316 HZ3 TRP 46 3HZ TRP 46 -1.108 15.729 6.509 317 HH2 TRP 46 HH TRP 46 -2.548 13.812 6.968 318 H CYS 47 H CYS 47 0.093 14.831 2.101 319 HA CYS 47 HA CYS 47 0.917 16.120 4.554 320 HB2 CYS 47 1HB CYS 47 0.068 13.627 4.081 321 HB3 CYS 47 2HB CYS 47 1.797 13.353 3.905 322 HG CYS 47 HG CYS 47 0.006 13.662 6.649 323 H GLY 48 H GLY 48 3.208 15.505 5.368 324 HA2 GLY 48 1HA GLY 48 5.074 16.472 3.331 325 HA3 GLY 48 2HA GLY 48 5.352 16.453 5.066 326 H HIS 49 H HIS 49 5.543 14.233 6.052 327 HA HIS 49 HA HIS 49 7.698 12.867 5.071 328 HB2 HIS 49 1HB HIS 49 6.612 10.856 6.395 329 HB3 HIS 49 2HB HIS 49 7.212 12.277 7.244 330 HD1 HIS 49 1HD HIS 49 5.639 13.081 8.958 331 HD2 HIS 49 2HD HIS 49 3.653 11.296 5.776 332 HE1 HIS 49 1HE HIS 49 3.196 13.184 9.547 333 HE2 HIS 49 2HE HIS 49 2.021 12.021 7.647 334 H CYS 50 H CYS 50 4.345 12.503 4.169 335 HA CYS 50 HA CYS 50 4.535 10.019 2.853 336 HB2 CYS 50 1HB CYS 50 2.657 12.347 2.417 337 HB3 CYS 50 2HB CYS 50 2.465 10.774 1.654 338 HG CYS 50 HG CYS 50 0.625 10.739 3.651 339 H GLN 51 H GLN 51 4.720 13.342 1.593 340 HA GLN 51 HA GLN 51 5.191 12.632 -1.085 341 HB2 GLN 51 1HB GLN 51 6.038 15.131 0.391 342 HB3 GLN 51 2HB GLN 51 5.994 14.944 -1.357 343 HG2 GLN 51 1HG GLN 51 3.590 14.657 -1.294 344 HG3 GLN 51 2HG GLN 51 3.607 14.756 0.466 345 HE21 GLN 51 1HE2 GLN 51 2.360 16.552 0.667 346 HE22 GLN 51 2HE2 GLN 51 2.836 18.119 0.118 347 H ARG 52 H ARG 52 7.219 12.550 1.672 348 HA ARG 52 HA ARG 52 9.690 12.637 0.151 349 HB2 ARG 52 1HB ARG 52 9.368 11.919 3.063 350 HB3 ARG 52 2HB ARG 52 10.815 12.500 2.249 351 HG2 ARG 52 1HG ARG 52 8.406 14.238 2.253 352 HG3 ARG 52 2HG ARG 52 9.342 14.085 3.741 353 HD2 ARG 52 1HD ARG 52 11.247 15.012 2.785 354 HD3 ARG 52 2HD ARG 52 10.703 14.675 1.142 355 HE ARG 52 HE ARG 52 8.870 16.435 1.951 356 HH11 ARG 52 2HH1 ARG 52 12.341 16.460 2.222 357 HH12 ARG 52 1HH1 ARG 52 12.463 18.187 2.167 358 HH21 ARG 52 2HH2 ARG 52 9.019 18.710 1.876 359 HH22 ARG 52 1HH2 ARG 52 10.573 19.466 1.971 360 H LEU 53 H LEU 53 7.367 10.364 0.669 361 HA LEU 53 HA LEU 53 9.261 8.121 0.751 362 HB2 LEU 53 1HB LEU 53 7.361 8.215 2.383 363 HB3 LEU 53 2HB LEU 53 6.262 8.030 1.018 364 HG LEU 53 HG LEU 53 7.306 5.832 0.537 365 HD11 LEU 53 1HD1 LEU 53 8.489 5.206 2.984 366 HD12 LEU 53 2HD1 LEU 53 9.177 6.761 2.518 367 HD13 LEU 53 3HD1 LEU 53 9.290 5.383 1.423 368 HD21 LEU 53 1HD2 LEU 53 5.766 4.865 1.830 369 HD22 LEU 53 2HD2 LEU 53 5.421 6.488 2.430 370 HD23 LEU 53 3HD2 LEU 53 6.528 5.437 3.314 371 H THR 54 H THR 54 8.024 9.996 -1.518 372 HA THR 54 HA THR 54 6.781 8.220 -3.338 373 HB THR 54 HB THR 54 8.316 10.501 -4.448 374 HG1 THR 54 1HG THR 54 6.467 11.851 -3.573 375 HG21 THR 54 1HG2 THR 54 5.475 10.525 -4.882 376 HG22 THR 54 2HG2 THR 54 6.117 8.909 -5.179 377 HG23 THR 54 3HG2 THR 54 6.778 10.295 -6.048 378 HA PRO 55 HA PRO 55 11.180 7.963 -5.364 379 HB2 PRO 55 1HB PRO 55 13.273 8.720 -3.810 380 HB3 PRO 55 2HB PRO 55 12.415 9.838 -4.877 381 HG2 PRO 55 1HG PRO 55 12.115 9.429 -1.927 382 HG3 PRO 55 2HG PRO 55 12.167 10.944 -2.847 383 HD2 PRO 55 1HD PRO 55 9.850 9.846 -1.976 384 HD3 PRO 55 2HD PRO 55 9.957 10.780 -3.482 385 H GLU 56 H GLU 56 10.959 7.444 -1.874 386 HA GLU 56 HA GLU 56 12.728 5.209 -1.826 387 HB2 GLU 56 1HB GLU 56 10.646 6.172 0.139 388 HB3 GLU 56 2HB GLU 56 11.727 4.821 0.448 389 HG2 GLU 56 1HG GLU 56 13.643 6.246 0.357 390 HG3 GLU 56 2HG GLU 56 12.662 7.610 -0.177 391 H TRP 57 H TRP 57 9.197 5.551 -1.852 392 HA TRP 57 HA TRP 57 8.634 2.782 -1.736 393 HB2 TRP 57 1HB TRP 57 7.041 4.719 -1.265 394 HB3 TRP 57 2HB TRP 57 6.861 4.864 -3.011 395 HD1 TRP 57 HD TRP 57 4.683 3.768 -3.752 396 HE1 TRP 57 1HE TRP 57 3.351 1.663 -3.102 397 HE3 TRP 57 3HE TRP 57 7.687 2.033 0.004 398 HZ2 TRP 57 2HZ TRP 57 3.548 -0.452 -1.243 399 HZ3 TRP 57 3HZ TRP 57 7.044 -0.037 1.168 400 HH2 TRP 57 HH TRP 57 5.017 -1.252 0.556 401 H LYS 58 H LYS 58 8.995 5.046 -4.432 402 HA LYS 58 HA LYS 58 8.245 3.313 -6.500 403 HB2 LYS 58 1HB LYS 58 9.963 5.763 -6.355 404 HB3 LYS 58 2HB LYS 58 9.880 4.845 -7.853 405 HG2 LYS 58 1HG LYS 58 7.496 5.177 -7.976 406 HG3 LYS 58 2HG LYS 58 7.498 5.987 -6.407 407 HD2 LYS 58 1HD LYS 58 9.096 7.667 -7.436 408 HD3 LYS 58 2HD LYS 58 8.701 6.941 -8.996 409 HE2 LYS 58 1HE LYS 58 6.388 7.519 -8.746 410 HE3 LYS 58 2HE LYS 58 6.652 8.055 -7.088 411 HZ1 LYS 58 1HZ LYS 58 8.309 9.679 -8.205 412 HZ2 LYS 58 2HZ LYS 58 6.654 10.025 -8.239 413 HZ3 LYS 58 3HZ LYS 58 7.410 9.373 -9.605 414 H LYS 59 H LYS 59 11.490 4.076 -5.247 415 HA LYS 59 HA LYS 59 13.068 2.548 -6.852 416 HB2 LYS 59 1HB LYS 59 13.206 3.313 -3.983 417 HB3 LYS 59 2HB LYS 59 14.311 2.059 -4.532 418 HG2 LYS 59 1HG LYS 59 15.163 3.576 -6.257 419 HG3 LYS 59 2HG LYS 59 14.070 4.835 -5.677 420 HD2 LYS 59 1HD LYS 59 15.892 3.552 -3.709 421 HD3 LYS 59 2HD LYS 59 16.590 4.685 -4.868 422 HE2 LYS 59 1HE LYS 59 14.153 5.382 -3.262 423 HE3 LYS 59 2HE LYS 59 15.776 5.601 -2.610 424 HZ1 LYS 59 1HZ LYS 59 16.304 7.120 -4.329 425 HZ2 LYS 59 2HZ LYS 59 14.802 7.596 -3.714 426 HZ3 LYS 59 3HZ LYS 59 14.888 6.768 -5.187 427 H ALA 60 H ALA 60 11.433 1.387 -3.906 428 HA ALA 60 HA ALA 60 12.241 -1.282 -4.081 429 HB1 ALA 60 1HB ALA 60 10.926 0.080 -2.230 430 HB2 ALA 60 2HB ALA 60 9.538 -0.684 -3.006 431 HB3 ALA 60 3HB ALA 60 10.831 -1.678 -2.335 432 H ALA 61 H ALA 61 9.504 0.398 -5.540 433 HA ALA 61 HA ALA 61 8.154 -1.871 -6.523 434 HB1 ALA 61 1HB ALA 61 8.170 0.997 -7.435 435 HB2 ALA 61 2HB ALA 61 7.115 -0.237 -8.126 436 HB3 ALA 61 3HB ALA 61 6.976 0.188 -6.420 437 H THR 62 H THR 62 10.797 0.055 -7.803 438 HA THR 62 HA THR 62 10.776 -0.955 -10.435 439 HB THR 62 HB THR 62 13.161 0.060 -8.875 440 HG1 THR 62 1HG THR 62 12.112 1.892 -8.985 441 HG21 THR 62 1HG2 THR 62 13.479 -1.206 -11.102 442 HG22 THR 62 2HG2 THR 62 14.254 0.368 -10.917 443 HG23 THR 62 3HG2 THR 62 12.762 0.222 -11.846 444 H ALA 63 H ALA 63 12.381 -2.045 -7.483 445 HA ALA 63 HA ALA 63 13.791 -4.171 -8.816 446 HB1 ALA 63 1HB ALA 63 15.003 -4.230 -6.953 447 HB2 ALA 63 2HB ALA 63 14.056 -2.854 -6.385 448 HB3 ALA 63 3HB ALA 63 13.574 -4.495 -5.952 449 H LEU 64 H LEU 64 10.980 -3.930 -6.663 450 HA LEU 64 HA LEU 64 10.452 -6.772 -6.895 451 HB2 LEU 64 1HB LEU 64 8.677 -4.713 -5.617 452 HB3 LEU 64 2HB LEU 64 8.736 -6.446 -5.305 453 HG LEU 64 HG LEU 64 10.997 -4.577 -4.624 454 HD11 LEU 64 1HD1 LEU 64 10.101 -4.868 -2.263 455 HD12 LEU 64 2HD1 LEU 64 8.591 -5.379 -3.016 456 HD13 LEU 64 3HD1 LEU 64 9.225 -3.761 -3.320 457 HD21 LEU 64 1HD2 LEU 64 11.423 -7.042 -4.873 458 HD22 LEU 64 2HD2 LEU 64 10.323 -7.295 -3.518 459 HD23 LEU 64 3HD2 LEU 64 11.806 -6.366 -3.290 460 H LYS 65 H LYS 65 10.033 -4.322 -8.945 461 HA LYS 65 HA LYS 65 7.437 -4.149 -9.756 462 HB2 LYS 65 1HB LYS 65 8.879 -2.840 -11.003 463 HB3 LYS 65 2HB LYS 65 10.026 -4.151 -11.248 464 HG2 LYS 65 1HG LYS 65 8.547 -5.188 -12.858 465 HG3 LYS 65 2HG LYS 65 7.327 -3.945 -12.570 466 HD2 LYS 65 1HD LYS 65 10.062 -3.088 -13.377 467 HD3 LYS 65 2HD LYS 65 9.004 -3.788 -14.605 468 HE2 LYS 65 1HE LYS 65 7.263 -2.130 -13.948 469 HE3 LYS 65 2HE LYS 65 8.445 -1.382 -12.876 470 HZ1 LYS 65 1HZ LYS 65 8.688 -0.126 -14.752 471 HZ2 LYS 65 2HZ LYS 65 8.348 -1.403 -15.808 472 HZ3 LYS 65 3HZ LYS 65 9.857 -1.312 -15.049 473 H ASP 66 H ASP 66 9.724 -6.730 -10.595 474 HA ASP 66 HA ASP 66 7.574 -8.235 -11.879 475 HB2 ASP 66 1HB ASP 66 10.562 -8.463 -11.837 476 HB3 ASP 66 2HB ASP 66 9.587 -9.862 -12.279 477 H VAL 67 H VAL 67 9.357 -8.102 -8.941 478 HA VAL 67 HA VAL 67 8.759 -10.824 -8.158 479 HB VAL 67 HB VAL 67 9.702 -8.748 -6.222 480 HG11 VAL 67 1HG1 VAL 67 9.466 -10.779 -5.157 481 HG12 VAL 67 2HG1 VAL 67 9.952 -11.703 -6.580 482 HG13 VAL 67 3HG1 VAL 67 11.162 -10.830 -5.639 483 HG21 VAL 67 1HG2 VAL 67 12.044 -9.263 -6.979 484 HG22 VAL 67 2HG2 VAL 67 11.341 -9.980 -8.429 485 HG23 VAL 67 3HG2 VAL 67 11.099 -8.267 -8.086 486 H VAL 68 H VAL 68 8.069 -7.695 -6.587 487 HA VAL 68 HA VAL 68 5.435 -8.775 -5.818 488 HB VAL 68 HB VAL 68 7.111 -6.840 -4.213 489 HG11 VAL 68 1HG1 VAL 68 4.366 -7.949 -3.923 490 HG12 VAL 68 2HG1 VAL 68 5.323 -7.678 -2.465 491 HG13 VAL 68 3HG1 VAL 68 4.979 -6.336 -3.557 492 HG21 VAL 68 1HG2 VAL 68 7.160 -8.827 -2.598 493 HG22 VAL 68 2HG2 VAL 68 6.706 -9.807 -3.992 494 HG23 VAL 68 3HG2 VAL 68 8.215 -8.895 -4.009 495 H LYS 69 H LYS 69 3.737 -7.649 -6.498 496 HA LYS 69 HA LYS 69 4.028 -5.318 -8.082 497 HB2 LYS 69 1HB LYS 69 1.629 -6.721 -6.915 498 HB3 LYS 69 2HB LYS 69 1.479 -5.264 -7.889 499 HG2 LYS 69 1HG LYS 69 3.035 -7.550 -8.981 500 HG3 LYS 69 2HG LYS 69 1.273 -7.651 -8.959 501 HD2 LYS 69 1HD LYS 69 1.057 -5.717 -10.314 502 HD3 LYS 69 2HD LYS 69 2.760 -5.299 -10.110 503 HE2 LYS 69 1HE LYS 69 3.473 -6.965 -11.554 504 HE3 LYS 69 2HE LYS 69 1.996 -7.908 -11.357 505 HZ1 LYS 69 1HZ LYS 69 2.111 -5.283 -12.737 506 HZ2 LYS 69 2HZ LYS 69 0.799 -6.349 -12.680 507 HZ3 LYS 69 3HZ LYS 69 2.195 -6.773 -13.535 508 H VAL 70 H VAL 70 4.887 -3.591 -7.022 509 HA VAL 70 HA VAL 70 3.732 -2.739 -4.483 510 HB VAL 70 HB VAL 70 6.044 -1.581 -6.047 511 HG11 VAL 70 1HG1 VAL 70 5.146 -1.004 -3.225 512 HG12 VAL 70 2HG1 VAL 70 6.538 -0.299 -4.050 513 HG13 VAL 70 3HG1 VAL 70 4.904 0.062 -4.609 514 HG21 VAL 70 1HG2 VAL 70 7.455 -2.635 -4.359 515 HG22 VAL 70 2HG2 VAL 70 6.029 -3.328 -3.586 516 HG23 VAL 70 3HG2 VAL 70 6.487 -3.840 -5.210 517 H GLY 71 H GLY 71 1.772 -1.816 -4.870 518 HA2 GLY 71 1HA GLY 71 1.508 0.142 -7.022 519 HA3 GLY 71 2HA GLY 71 0.203 -0.503 -6.037 520 H ALA 72 H ALA 72 -0.603 1.603 -5.688 521 HA ALA 72 HA ALA 72 0.336 2.836 -3.325 522 HB1 ALA 72 1HB ALA 72 0.884 4.346 -5.878 523 HB2 ALA 72 2HB ALA 72 1.011 5.012 -4.249 524 HB3 ALA 72 3HB ALA 72 2.088 3.711 -4.756 525 H VAL 73 H VAL 73 -1.361 3.769 -2.379 526 HA VAL 73 HA VAL 73 -3.584 4.685 -4.086 527 HB VAL 73 HB VAL 73 -3.630 3.008 -1.612 528 HG11 VAL 73 1HG1 VAL 73 -6.201 3.646 -1.707 529 HG12 VAL 73 2HG1 VAL 73 -5.050 4.560 -0.730 530 HG13 VAL 73 3HG1 VAL 73 -5.545 5.167 -2.311 531 HG21 VAL 73 1HG2 VAL 73 -3.892 1.831 -3.660 532 HG22 VAL 73 2HG2 VAL 73 -5.487 1.918 -2.913 533 HG23 VAL 73 3HG2 VAL 73 -5.081 2.993 -4.251 534 H ASN 74 H ASN 74 -4.129 6.746 -3.830 535 HA ASN 74 HA ASN 74 -2.842 8.365 -1.847 536 HB2 ASN 74 1HB ASN 74 -3.221 9.299 -4.042 537 HB3 ASN 74 2HB ASN 74 -4.954 9.008 -3.914 538 HD21 ASN 74 1HD2 ASN 74 -4.735 11.387 -4.523 539 HD22 ASN 74 2HD2 ASN 74 -4.733 12.506 -3.207 540 H ALA 75 H ALA 75 -3.544 7.772 0.178 541 HA ALA 75 HA ALA 75 -6.026 7.101 1.072 542 HB1 ALA 75 1HB ALA 75 -4.060 8.867 2.526 543 HB2 ALA 75 2HB ALA 75 -5.372 7.947 3.264 544 HB3 ALA 75 3HB ALA 75 -4.034 7.103 2.486 545 H ASP 76 H ASP 76 -4.819 10.357 0.436 546 HA ASP 76 HA ASP 76 -6.966 11.799 1.519 547 HB2 ASP 76 1HB ASP 76 -4.832 12.839 0.877 548 HB3 ASP 76 2HB ASP 76 -5.192 12.533 -0.820 549 H LYS 77 H LYS 77 -6.400 10.677 -1.809 550 HA LYS 77 HA LYS 77 -8.975 11.591 -2.705 551 HB2 LYS 77 1HB LYS 77 -7.223 11.605 -4.320 552 HB3 LYS 77 2HB LYS 77 -6.811 9.928 -3.987 553 HG2 LYS 77 1HG LYS 77 -9.272 9.496 -4.785 554 HG3 LYS 77 2HG LYS 77 -9.051 11.051 -5.589 555 HD2 LYS 77 1HD LYS 77 -6.971 8.920 -5.864 556 HD3 LYS 77 2HD LYS 77 -8.442 8.845 -6.837 557 HE2 LYS 77 1HE LYS 77 -6.591 11.222 -6.712 558 HE3 LYS 77 2HE LYS 77 -6.542 9.985 -7.967 559 HZ1 LYS 77 1HZ LYS 77 -8.161 12.258 -7.849 560 HZ2 LYS 77 2HZ LYS 77 -9.176 10.910 -7.730 561 HZ3 LYS 77 3HZ LYS 77 -8.125 11.064 -9.047 562 H HIS 78 H HIS 78 -7.501 8.346 -2.495 563 HA HIS 78 HA HIS 78 -10.087 7.082 -2.676 564 HB2 HIS 78 1HB HIS 78 -7.396 5.837 -2.081 565 HB3 HIS 78 2HB HIS 78 -8.858 4.986 -2.568 566 HD1 HIS 78 1HD HIS 78 -9.700 6.782 -4.936 567 HD2 HIS 78 2HD HIS 78 -5.829 5.427 -4.273 568 HE1 HIS 78 1HE HIS 78 -8.570 6.850 -7.182 569 HE2 HIS 78 2HE HIS 78 -6.255 5.946 -6.771 570 H GLN 79 H GLN 79 -10.060 8.763 -0.498 571 HA GLN 79 HA GLN 79 -9.291 7.895 1.959 572 HB2 GLN 79 1HB GLN 79 -11.795 9.277 1.050 573 HB3 GLN 79 2HB GLN 79 -11.578 8.860 2.745 574 HG2 GLN 79 1HG GLN 79 -9.392 10.324 1.370 575 HG3 GLN 79 2HG GLN 79 -10.862 11.205 1.785 576 HE21 GLN 79 1HE2 GLN 79 -8.238 9.267 3.085 577 HE22 GLN 79 2HE2 GLN 79 -8.319 9.897 4.692 578 H SER 80 H SER 80 -12.062 6.735 0.098 579 HA SER 80 HA SER 80 -13.223 5.102 2.041 580 HB2 SER 80 1HB SER 80 -13.211 5.060 -0.960 581 HB3 SER 80 2HB SER 80 -13.975 3.747 -0.064 582 HG SER 80 HG SER 80 -15.616 5.067 -0.039 583 H LEU 81 H LEU 81 -10.755 4.330 -0.394 584 HA LEU 81 HA LEU 81 -10.460 1.623 0.138 585 HB2 LEU 81 1HB LEU 81 -8.573 3.722 -0.860 586 HB3 LEU 81 2HB LEU 81 -8.023 2.068 -0.602 587 HG LEU 81 HG LEU 81 -10.149 2.992 -2.531 588 HD11 LEU 81 1HD1 LEU 81 -7.652 3.301 -3.032 589 HD12 LEU 81 2HD1 LEU 81 -8.648 2.487 -4.238 590 HD13 LEU 81 3HD1 LEU 81 -7.606 1.544 -3.173 591 HD21 LEU 81 1HD2 LEU 81 -9.516 0.333 -3.041 592 HD22 LEU 81 2HD2 LEU 81 -11.019 0.953 -2.357 593 HD23 LEU 81 3HD2 LEU 81 -9.719 0.419 -1.291 594 H GLY 82 H GLY 82 -8.431 4.269 1.424 595 HA2 GLY 82 1HA GLY 82 -6.898 2.802 3.186 596 HA3 GLY 82 2HA GLY 82 -7.348 4.482 3.440 597 H GLY 83 H GLY 83 -9.818 4.633 4.127 598 HA2 GLY 83 1HA GLY 83 -9.989 3.632 6.723 599 HA3 GLY 83 2HA GLY 83 -11.344 4.270 5.802 600 H GLN 84 H GLN 84 -11.257 2.310 3.711 601 HA GLN 84 HA GLN 84 -12.957 0.369 4.763 602 HB2 GLN 84 1HB GLN 84 -12.859 0.963 2.375 603 HB3 GLN 84 2HB GLN 84 -11.279 0.202 2.254 604 HG2 GLN 84 1HG GLN 84 -12.152 -1.938 2.491 605 HG3 GLN 84 2HG GLN 84 -13.661 -1.347 3.186 606 HE21 GLN 84 1HE2 GLN 84 -11.746 -1.160 0.210 607 HE22 GLN 84 2HE2 GLN 84 -13.097 -1.192 -0.867 608 H TYR 85 H TYR 85 -9.527 0.542 4.756 609 HA TYR 85 HA TYR 85 -9.306 -2.297 5.481 610 HB2 TYR 85 1HB TYR 85 -7.346 -0.294 4.404 611 HB3 TYR 85 2HB TYR 85 -6.777 -1.729 5.249 612 HD1 TYR 85 1HD TYR 85 -9.126 -0.787 2.497 613 HD2 TYR 85 2HD TYR 85 -6.328 -3.618 4.000 614 HE1 TYR 85 1HE TYR 85 -9.331 -2.084 0.418 615 HE2 TYR 85 2HE TYR 85 -6.524 -4.922 1.924 616 HH TYR 85 HH TYR 85 -8.767 -3.954 -0.649 617 H GLY 86 H GLY 86 -8.577 0.971 6.583 618 HA2 GLY 86 1HA GLY 86 -8.975 1.179 9.071 619 HA3 GLY 86 2HA GLY 86 -7.835 -0.150 9.213 620 H VAL 87 H VAL 87 -7.689 2.685 7.091 621 HA VAL 87 HA VAL 87 -5.036 3.275 8.176 622 HB VAL 87 HB VAL 87 -6.378 4.473 5.750 623 HG11 VAL 87 1HG1 VAL 87 -4.653 5.909 6.573 624 HG12 VAL 87 2HG1 VAL 87 -3.541 4.552 6.763 625 HG13 VAL 87 3HG1 VAL 87 -4.030 5.074 5.151 626 HG21 VAL 87 1HG2 VAL 87 -6.116 2.110 5.390 627 HG22 VAL 87 2HG2 VAL 87 -4.882 2.964 4.462 628 HG23 VAL 87 3HG2 VAL 87 -4.452 2.163 5.973 629 H GLN 88 H GLN 88 -4.726 4.887 9.558 630 HA GLN 88 HA GLN 88 -6.720 7.054 9.660 631 HB2 GLN 88 1HB GLN 88 -5.193 5.903 12.002 632 HB3 GLN 88 2HB GLN 88 -6.394 7.186 12.069 633 HG2 GLN 88 1HG GLN 88 -7.424 5.181 12.812 634 HG3 GLN 88 2HG GLN 88 -8.078 5.565 11.221 635 HE21 GLN 88 1HE2 GLN 88 -8.691 3.267 11.338 636 HE22 GLN 88 2HE2 GLN 88 -7.548 2.089 10.801 637 H GLY 89 H GLY 89 -3.344 6.124 10.048 638 HA2 GLY 89 1HA GLY 89 -2.616 8.951 9.617 639 HA3 GLY 89 2HA GLY 89 -1.805 7.991 10.846 640 H PHE 90 H PHE 90 -1.343 9.240 7.922 641 HA PHE 90 HA PHE 90 0.045 6.917 6.797 642 HB2 PHE 90 1HB PHE 90 0.087 9.426 5.265 643 HB3 PHE 90 2HB PHE 90 -0.323 7.795 4.746 644 HD1 PHE 90 2HD PHE 90 -2.543 7.266 6.709 645 HD2 PHE 90 1HD PHE 90 -1.655 10.646 4.279 646 HE1 PHE 90 2HE PHE 90 -4.927 7.873 6.689 647 HE2 PHE 90 1HE PHE 90 -4.038 11.259 4.256 648 HZ PHE 90 HZ PHE 90 -5.677 9.871 5.460 649 HA PRO 91 HA PRO 91 1.486 7.204 4.754 650 HB2 PRO 91 1HB PRO 91 3.775 5.752 4.603 651 HB3 PRO 91 2HB PRO 91 3.635 7.394 3.963 652 HG2 PRO 91 1HG PRO 91 4.811 6.466 6.554 653 HG3 PRO 91 2HG PRO 91 5.428 7.678 5.416 654 HD2 PRO 91 1HD PRO 91 4.112 8.348 7.686 655 HD3 PRO 91 2HD PRO 91 4.015 9.320 6.204 656 H THR 92 H THR 92 0.736 5.116 4.515 657 HA THR 92 HA THR 92 1.096 3.290 6.794 658 HB THR 92 HB THR 92 -1.503 4.032 5.453 659 HG1 THR 92 1HG THR 92 -0.340 4.377 7.969 660 HG21 THR 92 1HG2 THR 92 -2.578 2.238 6.653 661 HG22 THR 92 2HG2 THR 92 -1.049 1.766 7.396 662 HG23 THR 92 3HG2 THR 92 -1.288 1.562 5.660 663 H ILE 93 H ILE 93 2.383 1.802 5.836 664 HA ILE 93 HA ILE 93 1.758 0.831 3.164 665 HB ILE 93 HB ILE 93 4.004 0.070 5.035 666 HG12 ILE 93 1HG1 ILE 93 4.361 1.601 2.491 667 HG13 ILE 93 2HG1 ILE 93 3.799 2.455 3.923 668 HG21 ILE 93 1HG2 ILE 93 4.874 -0.662 2.608 669 HG22 ILE 93 2HG2 ILE 93 4.017 -1.752 3.696 670 HG23 ILE 93 3HG2 ILE 93 3.146 -0.939 2.396 671 HD11 ILE 93 1HD1 ILE 93 6.287 0.776 3.899 672 HD12 ILE 93 2HD1 ILE 93 6.275 2.496 3.508 673 HD13 ILE 93 3HD1 ILE 93 5.775 1.952 5.109 674 H LYS 94 H LYS 94 0.820 -1.070 2.706 675 HA LYS 94 HA LYS 94 0.367 -2.963 4.917 676 HB2 LYS 94 1HB LYS 94 -1.582 -1.917 2.880 677 HB3 LYS 94 2HB LYS 94 -1.835 -3.472 3.661 678 HG2 LYS 94 1HG LYS 94 -1.342 -1.039 5.317 679 HG3 LYS 94 2HG LYS 94 -2.941 -1.340 4.635 680 HD2 LYS 94 1HD LYS 94 -2.637 -3.712 5.659 681 HD3 LYS 94 2HD LYS 94 -1.412 -2.927 6.658 682 HE2 LYS 94 1HE LYS 94 -3.061 -1.330 7.458 683 HE3 LYS 94 2HE LYS 94 -4.287 -2.045 6.412 684 HZ1 LYS 94 1HZ LYS 94 -4.583 -2.896 8.597 685 HZ2 LYS 94 2HZ LYS 94 -2.952 -3.320 8.734 686 HZ3 LYS 94 3HZ LYS 94 -3.953 -4.152 7.655 687 H ILE 95 H ILE 95 0.668 -5.088 4.470 688 HA ILE 95 HA ILE 95 1.701 -5.724 1.800 689 HB ILE 95 HB ILE 95 1.961 -7.247 4.395 690 HG12 ILE 95 1HG1 ILE 95 4.239 -6.035 2.876 691 HG13 ILE 95 2HG1 ILE 95 3.249 -5.004 3.904 692 HG21 ILE 95 1HG2 ILE 95 3.308 -7.809 1.759 693 HG22 ILE 95 2HG2 ILE 95 3.412 -8.760 3.239 694 HG23 ILE 95 3HG2 ILE 95 1.891 -8.674 2.352 695 HD11 ILE 95 1HD1 ILE 95 4.316 -5.698 5.710 696 HD12 ILE 95 2HD1 ILE 95 4.001 -7.387 5.312 697 HD13 ILE 95 3HD1 ILE 95 5.423 -6.577 4.656 698 H PHE 96 H PHE 96 0.793 -7.238 0.506 699 HA PHE 96 HA PHE 96 -1.651 -8.549 1.503 700 HB2 PHE 96 1HB PHE 96 -1.000 -7.392 -1.200 701 HB3 PHE 96 2HB PHE 96 -2.293 -8.567 -0.986 702 HD1 PHE 96 1HD PHE 96 -1.093 -5.295 0.317 703 HD2 PHE 96 2HD PHE 96 -4.417 -7.842 -0.443 704 HE1 PHE 96 1HE PHE 96 -2.626 -3.481 0.961 705 HE2 PHE 96 2HE PHE 96 -5.955 -6.033 0.199 706 HZ PHE 96 HZ PHE 96 -5.061 -3.848 0.902 707 H GLY 97 H GLY 97 -1.675 -10.703 1.498 708 HA2 GLY 97 1HA GLY 97 -0.342 -12.257 -0.510 709 HA3 GLY 97 2HA GLY 97 0.491 -12.314 1.037 710 H ALA 98 H ALA 98 -0.550 -13.270 2.834 711 HA ALA 98 HA ALA 98 -1.856 -15.636 2.406 712 HB1 ALA 98 1HB ALA 98 -2.118 -15.805 4.688 713 HB2 ALA 98 2HB ALA 98 -0.833 -14.602 4.570 714 HB3 ALA 98 3HB ALA 98 -2.492 -14.092 4.880 715 H ASN 99 H ASN 99 -3.501 -12.740 3.697 716 HA ASN 99 HA ASN 99 -5.957 -13.670 2.360 717 HB2 ASN 99 1HB ASN 99 -5.951 -13.702 4.894 718 HB3 ASN 99 2HB ASN 99 -5.845 -11.945 4.836 719 HD21 ASN 99 1HD2 ASN 99 -7.853 -11.986 6.002 720 HD22 ASN 99 2HD2 ASN 99 -9.339 -12.190 5.144 721 H LYS 100 H LYS 100 -6.003 -12.505 0.516 722 HA LYS 100 HA LYS 100 -5.040 -9.917 0.138 723 HB2 LYS 100 1HB LYS 100 -7.049 -11.609 -1.306 724 HB3 LYS 100 2HB LYS 100 -6.809 -9.935 -1.788 725 HG2 LYS 100 1HG LYS 100 -4.706 -12.089 -1.720 726 HG3 LYS 100 2HG LYS 100 -5.475 -11.413 -3.158 727 HD2 LYS 100 1HD LYS 100 -4.584 -9.154 -2.344 728 HD3 LYS 100 2HD LYS 100 -3.559 -10.093 -1.256 729 HE2 LYS 100 1HE LYS 100 -3.650 -10.560 -4.227 730 HE3 LYS 100 2HE LYS 100 -2.534 -9.423 -3.474 731 HZ1 LYS 100 1HZ LYS 100 -2.407 -11.883 -2.116 732 HZ2 LYS 100 2HZ LYS 100 -1.189 -11.092 -2.982 733 HZ3 LYS 100 3HZ LYS 100 -2.224 -12.171 -3.773 734 H ASN 101 H ASN 101 -7.909 -11.012 1.677 735 HA ASN 101 HA ASN 101 -9.346 -8.526 1.394 736 HB2 ASN 101 1HB ASN 101 -9.847 -11.157 2.696 737 HB3 ASN 101 2HB ASN 101 -10.721 -9.762 3.322 738 HD21 ASN 101 1HD2 ASN 101 -9.786 -10.981 0.119 739 HD22 ASN 101 2HD2 ASN 101 -11.357 -10.827 -0.583 740 H LYS 102 H LYS 102 -7.166 -9.988 3.671 741 HA LYS 102 HA LYS 102 -7.273 -7.536 5.283 742 HB2 LYS 102 1HB LYS 102 -6.938 -10.252 6.542 743 HB3 LYS 102 2HB LYS 102 -7.258 -8.717 7.338 744 HG2 LYS 102 1HG LYS 102 -9.496 -8.670 6.385 745 HG3 LYS 102 2HG LYS 102 -9.177 -10.188 5.541 746 HD2 LYS 102 1HD LYS 102 -8.621 -11.067 7.938 747 HD3 LYS 102 2HD LYS 102 -9.585 -9.684 8.459 748 HE2 LYS 102 1HE LYS 102 -10.693 -11.451 6.341 749 HE3 LYS 102 2HE LYS 102 -10.670 -12.056 7.996 750 HZ1 LYS 102 1HZ LYS 102 -11.922 -9.517 7.099 751 HZ2 LYS 102 2HZ LYS 102 -11.896 -10.090 8.690 752 HZ3 LYS 102 3HZ LYS 102 -12.748 -10.938 7.500 753 HA PRO 103 HA PRO 103 -2.938 -8.206 4.071 754 HB2 PRO 103 1HB PRO 103 -2.268 -5.582 4.256 755 HB3 PRO 103 2HB PRO 103 -3.051 -6.275 2.831 756 HG2 PRO 103 1HG PRO 103 -4.260 -4.736 5.096 757 HG3 PRO 103 2HG PRO 103 -4.576 -4.600 3.356 758 HD2 PRO 103 1HD PRO 103 -6.219 -5.948 5.034 759 HD3 PRO 103 2HD PRO 103 -5.982 -6.426 3.341 760 H GLU 104 H GLU 104 -0.882 -7.425 5.165 761 HA GLU 104 HA GLU 104 -1.276 -7.556 8.069 762 HB2 GLU 104 1HB GLU 104 1.093 -8.212 6.318 763 HB3 GLU 104 2HB GLU 104 1.186 -8.154 8.073 764 HG2 GLU 104 1HG GLU 104 -0.903 -9.852 6.814 765 HG3 GLU 104 2HG GLU 104 0.769 -10.408 6.798 766 H ASP 105 H ASP 105 0.184 -6.302 9.443 767 HA ASP 105 HA ASP 105 0.333 -3.572 8.536 768 HB2 ASP 105 1HB ASP 105 1.329 -3.265 10.904 769 HB3 ASP 105 2HB ASP 105 -0.361 -3.741 10.763 770 H TYR 106 H TYR 106 1.973 -2.904 7.326 771 HA TYR 106 HA TYR 106 4.434 -4.235 7.062 772 HB2 TYR 106 1HB TYR 106 3.456 -2.693 5.368 773 HB3 TYR 106 2HB TYR 106 3.838 -1.339 6.425 774 HD1 TYR 106 2HD TYR 106 5.261 -3.962 4.272 775 HD2 TYR 106 1HD TYR 106 6.082 -0.510 6.619 776 HE1 TYR 106 2HE TYR 106 7.505 -3.825 3.274 777 HE2 TYR 106 1HE TYR 106 8.328 -0.362 5.627 778 HH TYR 106 HH TYR 106 9.970 -2.153 4.513 779 H GLN 107 H GLN 107 5.533 -4.551 8.946 780 HA GLN 107 HA GLN 107 6.202 -2.197 10.565 781 HB2 GLN 107 1HB GLN 107 5.219 -4.425 11.513 782 HB3 GLN 107 2HB GLN 107 6.870 -5.010 11.354 783 HG2 GLN 107 1HG GLN 107 7.653 -3.689 13.027 784 HG3 GLN 107 2HG GLN 107 6.458 -2.425 12.740 785 HE21 GLN 107 1HE2 GLN 107 4.125 -3.297 13.124 786 HE22 GLN 107 2HE2 GLN 107 3.904 -4.127 14.623 787 H GLY 108 H GLY 108 7.441 -2.744 7.985 788 HA2 GLY 108 1HA GLY 108 10.214 -3.256 8.871 789 HA3 GLY 108 2HA GLY 108 9.619 -3.630 7.261 790 H GLY 109 H GLY 109 11.816 -2.243 7.190 791 HA2 GLY 109 1HA GLY 109 11.623 0.557 7.477 792 HA3 GLY 109 2HA GLY 109 12.800 -0.292 6.486 793 H ARG 110 H ARG 110 10.493 1.988 6.358 794 HA ARG 110 HA ARG 110 9.225 1.243 3.876 795 HB2 ARG 110 1HB ARG 110 8.215 3.506 4.003 796 HB3 ARG 110 2HB ARG 110 7.953 2.551 5.456 797 HG2 ARG 110 1HG ARG 110 9.879 3.754 6.497 798 HG3 ARG 110 2HG ARG 110 9.909 4.803 5.079 799 HD2 ARG 110 1HD ARG 110 7.342 5.057 5.664 800 HD3 ARG 110 2HD ARG 110 7.911 4.620 7.274 801 HE ARG 110 HE ARG 110 9.405 6.739 6.012 802 HH11 ARG 110 2HH1 ARG 110 6.685 5.924 8.027 803 HH12 ARG 110 1HH1 ARG 110 6.608 7.483 8.778 804 HH21 ARG 110 2HH2 ARG 110 9.314 8.796 6.994 805 HH22 ARG 110 1HH2 ARG 110 8.103 9.116 8.189 806 H THR 111 H THR 111 12.072 1.304 3.764 807 HA THR 111 HA THR 111 12.575 3.640 2.043 808 HB THR 111 HB THR 111 14.965 3.215 2.367 809 HG1 THR 111 1HG THR 111 14.030 0.854 3.344 810 HG21 THR 111 1HG2 THR 111 13.286 3.446 4.856 811 HG22 THR 111 2HG2 THR 111 14.051 4.738 3.931 812 HG23 THR 111 3HG2 THR 111 15.040 3.623 4.873 813 H GLY 112 H GLY 112 13.212 3.384 -0.051 814 HA2 GLY 112 1HA GLY 112 12.404 1.379 -1.640 815 HA3 GLY 112 2HA GLY 112 13.864 2.292 -1.994 816 H GLU 113 H GLU 113 15.295 1.293 0.345 817 HA GLU 113 HA GLU 113 16.268 -1.149 -0.831 818 HB2 GLU 113 1HB GLU 113 17.228 -0.265 1.839 819 HB3 GLU 113 2HB GLU 113 18.137 -0.869 0.460 820 HG2 GLU 113 1HG GLU 113 17.361 1.429 -0.593 821 HG3 GLU 113 2HG GLU 113 17.273 1.891 1.105 822 H ALA 114 H ALA 114 15.258 -0.358 2.500 823 HA ALA 114 HA ALA 114 15.057 -2.912 3.492 824 HB1 ALA 114 1HB ALA 114 14.809 -0.785 4.782 825 HB2 ALA 114 2HB ALA 114 13.150 -0.687 4.190 826 HB3 ALA 114 3HB ALA 114 13.645 -2.040 5.206 827 H ILE 115 H ILE 115 12.505 -1.046 1.860 828 HA ILE 115 HA ILE 115 10.405 -2.805 2.049 829 HB ILE 115 HB ILE 115 11.099 -1.167 -0.392 830 HG12 ILE 115 1HG1 ILE 115 9.158 -0.297 1.711 831 HG13 ILE 115 2HG1 ILE 115 10.880 -0.088 2.010 832 HG21 ILE 115 1HG2 ILE 115 8.293 -1.644 0.359 833 HG22 ILE 115 2HG2 ILE 115 9.056 -1.612 -1.230 834 HG23 ILE 115 3HG2 ILE 115 9.177 -3.055 -0.223 835 HD11 ILE 115 1HD1 ILE 115 9.859 1.923 1.085 836 HD12 ILE 115 2HD1 ILE 115 11.080 1.256 0.000 837 HD13 ILE 115 3HD1 ILE 115 9.367 1.016 -0.345 838 H VAL 116 H VAL 116 12.975 -2.783 -0.404 839 HA VAL 116 HA VAL 116 12.084 -4.850 -2.016 840 HB VAL 116 HB VAL 116 14.864 -3.941 -1.317 841 HG11 VAL 116 1HG1 VAL 116 15.713 -5.377 -3.113 842 HG12 VAL 116 2HG1 VAL 116 15.012 -6.324 -1.799 843 HG13 VAL 116 3HG1 VAL 116 14.111 -6.089 -3.297 844 HG21 VAL 116 1HG2 VAL 116 12.923 -2.932 -2.999 845 HG22 VAL 116 2HG2 VAL 116 14.646 -2.556 -3.055 846 HG23 VAL 116 3HG2 VAL 116 13.986 -3.825 -4.086 847 H ASP 117 H ASP 117 13.833 -4.992 1.038 848 HA ASP 117 HA ASP 117 14.186 -7.846 0.933 849 HB2 ASP 117 1HB ASP 117 15.609 -6.049 2.196 850 HB3 ASP 117 2HB ASP 117 14.400 -6.249 3.461 851 H ALA 118 H ALA 118 11.967 -5.594 2.489 852 HA ALA 118 HA ALA 118 10.651 -7.449 4.149 853 HB1 ALA 118 1HB ALA 118 10.300 -5.204 4.680 854 HB2 ALA 118 2HB ALA 118 9.866 -4.783 3.022 855 HB3 ALA 118 3HB ALA 118 8.754 -5.729 4.011 856 H ALA 119 H ALA 119 9.893 -6.274 0.882 857 HA ALA 119 HA ALA 119 7.504 -7.674 0.513 858 HB1 ALA 119 1HB ALA 119 9.410 -7.198 -1.746 859 HB2 ALA 119 2HB ALA 119 7.648 -7.098 -1.730 860 HB3 ALA 119 3HB ALA 119 8.610 -5.848 -0.942 861 H LEU 120 H LEU 120 10.834 -8.610 -0.321 862 HA LEU 120 HA LEU 120 10.221 -11.094 -1.462 863 HB2 LEU 120 1HB LEU 120 12.704 -10.181 -0.019 864 HB3 LEU 120 2HB LEU 120 12.585 -11.669 -0.956 865 HG LEU 120 HG LEU 120 11.986 -9.056 -2.274 866 HD11 LEU 120 1HD1 LEU 120 14.384 -9.465 -0.942 867 HD12 LEU 120 2HD1 LEU 120 14.073 -8.297 -2.226 868 HD13 LEU 120 3HD1 LEU 120 14.734 -9.884 -2.619 869 HD21 LEU 120 1HD2 LEU 120 12.484 -10.187 -4.236 870 HD22 LEU 120 2HD2 LEU 120 11.692 -11.428 -3.263 871 HD23 LEU 120 3HD2 LEU 120 13.450 -11.408 -3.407 872 H SER 121 H SER 121 11.323 -10.341 1.844 873 HA SER 121 HA SER 121 11.312 -12.856 2.936 874 HB2 SER 121 1HB SER 121 11.826 -10.495 3.985 875 HB3 SER 121 2HB SER 121 10.157 -10.608 4.545 876 HG SER 121 HG SER 121 11.736 -11.471 6.027 877 H ALA 122 H ALA 122 8.563 -10.768 2.281 878 HA ALA 122 HA ALA 122 6.679 -12.513 3.595 879 HB1 ALA 122 1HB ALA 122 5.288 -10.766 1.898 880 HB2 ALA 122 2HB ALA 122 5.528 -10.617 3.639 881 HB3 ALA 122 3HB ALA 122 6.661 -9.852 2.525 882 H LEU 123 H LEU 123 7.774 -11.890 0.312 883 HA LEU 123 HA LEU 123 5.862 -13.101 -1.217 884 HB2 LEU 123 1HB LEU 123 7.978 -12.007 -1.999 885 HB3 LEU 123 2HB LEU 123 8.820 -13.506 -1.613 886 HG LEU 123 HG LEU 123 8.384 -13.344 -3.997 887 HD11 LEU 123 1HD1 LEU 123 7.850 -15.527 -4.240 888 HD12 LEU 123 2HD1 LEU 123 6.423 -15.409 -3.211 889 HD13 LEU 123 3HD1 LEU 123 8.026 -15.521 -2.485 890 HD21 LEU 123 1HD2 LEU 123 6.203 -13.208 -4.926 891 HD22 LEU 123 2HD2 LEU 123 6.335 -11.913 -3.736 892 HD23 LEU 123 3HD2 LEU 123 5.446 -13.385 -3.343 893 H ARG 124 H ARG 124 8.608 -14.738 0.353 894 HA ARG 124 HA ARG 124 7.713 -17.345 -0.408 895 HB2 ARG 124 1HB ARG 124 9.562 -18.177 0.832 896 HB3 ARG 124 2HB ARG 124 10.104 -16.688 0.070 897 HG2 ARG 124 1HG ARG 124 9.685 -15.503 2.209 898 HG3 ARG 124 2HG ARG 124 9.302 -17.060 2.946 899 HD2 ARG 124 1HD ARG 124 11.885 -16.730 1.493 900 HD3 ARG 124 2HD ARG 124 11.718 -16.052 3.112 901 HE ARG 124 HE ARG 124 12.087 -18.778 2.459 902 HH11 ARG 124 2HH1 ARG 124 10.355 -16.701 4.651 903 HH12 ARG 124 1HH1 ARG 124 10.260 -17.889 5.909 904 HH21 ARG 124 2HH2 ARG 124 11.968 -20.351 4.107 905 HH22 ARG 124 1HH2 ARG 124 11.179 -19.964 5.598 906 H SER 125 H SER 125 7.411 -15.326 2.455 907 HA SER 125 HA SER 125 6.580 -17.077 4.373 908 HB2 SER 125 1HB SER 125 6.782 -14.506 4.473 909 HB3 SER 125 2HB SER 125 5.100 -14.489 3.943 910 HG SER 125 HG SER 125 4.595 -14.853 5.937 911 H GLY 126 H GLY 126 4.447 -15.502 1.985 912 HA2 GLY 126 1HA GLY 126 2.040 -16.628 2.672 913 HA3 GLY 126 2HA GLY 126 2.494 -16.241 1.019 914 HA PRO 127 HA PRO 127 2.413 -20.969 2.033 915 HB2 PRO 127 1HB PRO 127 -0.228 -21.568 1.838 916 HB3 PRO 127 2HB PRO 127 0.556 -21.168 3.371 917 HG2 PRO 127 1HG PRO 127 -1.088 -19.428 1.573 918 HG3 PRO 127 2HG PRO 127 -1.122 -19.558 3.341 919 HD2 PRO 127 1HD PRO 127 0.155 -17.548 2.052 920 HD3 PRO 127 2HD PRO 127 0.724 -18.202 3.602 921 H SER 128 H SER 128 1.188 -18.778 -0.259 922 HA SER 128 HA SER 128 0.035 -20.066 -2.286 923 HB2 SER 128 1HB SER 128 2.290 -18.086 -2.332 924 HB3 SER 128 2HB SER 128 1.666 -18.748 -3.843 925 HG SER 128 HG SER 128 0.206 -17.254 -3.648 926 H SER 129 H SER 129 0.324 -21.915 -3.322 927 HA SER 129 HA SER 129 2.879 -22.747 -4.301 928 HB2 SER 129 1HB SER 129 2.950 -23.446 -1.873 929 HB3 SER 129 2HB SER 129 1.612 -24.540 -2.222 930 HG SER 129 HG SER 129 3.946 -24.615 -3.789 931 H GLY 130 H GLY 130 2.731 -24.829 -5.495 932 HA2 GLY 130 1HA GLY 130 1.681 -26.252 -6.964 933 HA3 GLY 130 2HA GLY 130 0.218 -26.043 -6.013 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -22.346 5.778 -21.123 2 HA2 GLY 1 1HA GLY 1 -21.119 7.506 -20.225 3 HA3 GLY 1 2HA GLY 1 -21.552 6.905 -18.631 4 H SER 2 H SER 2 -19.013 7.546 -20.589 5 HA SER 2 HA SER 2 -17.315 5.327 -20.254 6 HB2 SER 2 1HB SER 2 -17.037 7.371 -21.807 7 HB3 SER 2 2HB SER 2 -16.319 8.166 -20.406 8 HG SER 2 HG SER 2 -15.216 6.385 -22.087 9 H SER 3 H SER 3 -15.557 5.011 -18.824 10 HA SER 3 HA SER 3 -16.145 5.777 -16.117 11 HB2 SER 3 1HB SER 3 -14.010 4.065 -17.383 12 HB3 SER 3 2HB SER 3 -13.999 4.441 -15.660 13 HG SER 3 HG SER 3 -15.758 3.245 -15.365 14 H GLY 4 H GLY 4 -15.755 7.893 -15.703 15 HA2 GLY 4 1HA GLY 4 -14.542 9.787 -15.244 16 HA3 GLY 4 2HA GLY 4 -13.121 8.753 -15.231 17 H SER 5 H SER 5 -14.554 11.342 -16.718 18 HA SER 5 HA SER 5 -13.222 10.882 -19.289 19 HB2 SER 5 1HB SER 5 -15.676 11.703 -19.049 20 HB3 SER 5 2HB SER 5 -14.949 13.264 -18.670 21 HG SER 5 HG SER 5 -15.176 13.306 -20.830 22 H SER 6 H SER 6 -13.630 13.562 -16.968 23 HA SER 6 HA SER 6 -10.796 14.147 -17.103 24 HB2 SER 6 1HB SER 6 -12.850 16.178 -18.013 25 HB3 SER 6 2HB SER 6 -11.137 16.509 -17.756 26 HG SER 6 HG SER 6 -10.631 15.382 -19.519 27 H GLY 7 H GLY 7 -10.070 14.903 -15.204 28 HA2 GLY 7 1HA GLY 7 -10.877 16.700 -13.457 29 HA3 GLY 7 2HA GLY 7 -12.056 15.440 -13.123 30 H ALA 8 H ALA 8 -10.667 13.152 -13.176 31 HA ALA 8 HA ALA 8 -9.387 13.073 -10.700 32 HB1 ALA 8 1HB ALA 8 -9.551 10.881 -11.012 33 HB2 ALA 8 2HB ALA 8 -10.198 11.215 -12.619 34 HB3 ALA 8 3HB ALA 8 -8.469 10.941 -12.404 35 H VAL 9 H VAL 9 -7.110 12.246 -10.358 36 HA VAL 9 HA VAL 9 -5.144 13.088 -12.308 37 HB VAL 9 HB VAL 9 -4.012 14.692 -10.928 38 HG11 VAL 9 1HG1 VAL 9 -6.937 15.412 -10.887 39 HG12 VAL 9 2HG1 VAL 9 -5.559 16.510 -10.986 40 HG13 VAL 9 3HG1 VAL 9 -5.937 15.443 -12.339 41 HG21 VAL 9 1HG2 VAL 9 -4.289 13.936 -8.734 42 HG22 VAL 9 2HG2 VAL 9 -5.188 15.453 -8.778 43 HG23 VAL 9 3HG2 VAL 9 -6.048 13.915 -8.864 44 H SER 10 H SER 10 -3.206 12.066 -12.058 45 HA SER 10 HA SER 10 -3.049 9.697 -10.646 46 HB2 SER 10 1HB SER 10 -1.560 10.319 -12.532 47 HB3 SER 10 2HB SER 10 -0.715 11.443 -11.468 48 HG SER 10 HG SER 10 -0.871 8.622 -11.227 49 H GLY 11 H GLY 11 -1.041 12.537 -9.850 50 HA2 GLY 11 1HA GLY 11 -1.404 13.381 -7.483 51 HA3 GLY 11 2HA GLY 11 -1.187 11.698 -7.023 52 H LEU 12 H LEU 12 0.732 11.397 -6.126 53 HA LEU 12 HA LEU 12 2.964 13.121 -6.803 54 HB2 LEU 12 1HB LEU 12 2.816 10.830 -4.850 55 HB3 LEU 12 2HB LEU 12 4.123 12.006 -4.981 56 HG LEU 12 HG LEU 12 1.293 12.608 -4.121 57 HD11 LEU 12 1HD1 LEU 12 2.887 13.229 -2.026 58 HD12 LEU 12 2HD1 LEU 12 3.724 11.819 -2.674 59 HD13 LEU 12 3HD1 LEU 12 2.029 11.698 -2.204 60 HD21 LEU 12 1HD2 LEU 12 1.860 14.660 -4.844 61 HD22 LEU 12 2HD2 LEU 12 3.584 14.288 -4.875 62 HD23 LEU 12 3HD2 LEU 12 2.802 14.720 -3.354 63 H TYR 13 H TYR 13 2.008 9.755 -7.171 64 HA TYR 13 HA TYR 13 4.528 9.124 -8.505 65 HB2 TYR 13 1HB TYR 13 2.182 7.322 -7.873 66 HB3 TYR 13 2HB TYR 13 3.758 6.808 -8.464 67 HD1 TYR 13 2HD TYR 13 2.163 8.596 -5.607 68 HD2 TYR 13 1HD TYR 13 5.406 6.190 -6.946 69 HE1 TYR 13 2HE TYR 13 2.956 8.384 -3.288 70 HE2 TYR 13 1HE TYR 13 6.208 5.970 -4.631 71 HH TYR 13 HH TYR 13 5.530 6.204 -2.418 72 H SER 14 H SER 14 4.487 7.986 -10.580 73 HA SER 14 HA SER 14 2.139 8.516 -12.242 74 HB2 SER 14 1HB SER 14 4.875 9.679 -12.641 75 HB3 SER 14 2HB SER 14 3.868 9.315 -14.042 76 HG SER 14 HG SER 14 2.207 10.573 -12.775 77 H SER 15 H SER 15 1.809 7.036 -13.833 78 HA SER 15 HA SER 15 2.647 4.488 -13.693 79 HB2 SER 15 1HB SER 15 1.929 6.099 -16.138 80 HB3 SER 15 2HB SER 15 2.258 4.369 -16.230 81 HG SER 15 HG SER 15 0.433 3.951 -15.221 82 H SER 16 H SER 16 4.441 7.137 -15.092 83 HA SER 16 HA SER 16 6.328 5.950 -16.645 84 HB2 SER 16 1HB SER 16 7.928 7.705 -15.800 85 HB3 SER 16 2HB SER 16 6.366 8.331 -16.329 86 HG SER 16 HG SER 16 5.804 8.088 -13.983 87 H ASP 17 H ASP 17 6.418 6.174 -13.100 88 HA ASP 17 HA ASP 17 8.852 4.729 -12.830 89 HB2 ASP 17 1HB ASP 17 7.651 6.321 -11.146 90 HB3 ASP 17 2HB ASP 17 6.788 4.866 -10.657 91 H ASP 18 H ASP 18 8.567 2.773 -11.055 92 HA ASP 18 HA ASP 18 7.233 0.698 -12.600 93 HB2 ASP 18 1HB ASP 18 9.061 0.500 -10.197 94 HB3 ASP 18 2HB ASP 18 8.447 -0.866 -11.124 95 H VAL 19 H VAL 19 6.168 2.767 -10.406 96 HA VAL 19 HA VAL 19 4.827 0.940 -8.601 97 HB VAL 19 HB VAL 19 4.621 3.939 -8.905 98 HG11 VAL 19 1HG1 VAL 19 2.768 2.222 -7.735 99 HG12 VAL 19 2HG1 VAL 19 3.701 2.871 -6.385 100 HG13 VAL 19 3HG1 VAL 19 2.891 3.966 -7.507 101 HG21 VAL 19 1HG2 VAL 19 6.706 3.597 -7.996 102 HG22 VAL 19 2HG2 VAL 19 5.717 3.684 -6.539 103 HG23 VAL 19 3HG2 VAL 19 6.223 2.116 -7.169 104 H ILE 20 H ILE 20 2.782 0.229 -8.756 105 HA ILE 20 HA ILE 20 1.305 0.863 -11.182 106 HB ILE 20 HB ILE 20 0.802 -1.187 -9.024 107 HG12 ILE 20 1HG1 ILE 20 1.496 -1.695 -11.908 108 HG13 ILE 20 2HG1 ILE 20 2.750 -1.428 -10.702 109 HG21 ILE 20 1HG2 ILE 20 -0.857 -2.086 -10.730 110 HG22 ILE 20 2HG2 ILE 20 -1.333 -0.641 -9.838 111 HG23 ILE 20 3HG2 ILE 20 -0.755 -0.502 -11.498 112 HD11 ILE 20 1HD1 ILE 20 1.328 -3.320 -9.453 113 HD12 ILE 20 2HD1 ILE 20 0.995 -3.750 -11.131 114 HD13 ILE 20 3HD1 ILE 20 2.660 -3.668 -10.555 115 H GLU 21 H GLU 21 -0.261 2.323 -11.240 116 HA GLU 21 HA GLU 21 -1.143 3.691 -8.909 117 HB2 GLU 21 1HB GLU 21 -1.011 4.451 -11.432 118 HB3 GLU 21 2HB GLU 21 -2.658 3.838 -11.480 119 HG2 GLU 21 1HG GLU 21 -3.039 6.025 -10.970 120 HG3 GLU 21 2HG GLU 21 -2.956 5.329 -9.353 121 H LEU 22 H LEU 22 -2.215 2.420 -7.471 122 HA LEU 22 HA LEU 22 -4.334 0.650 -8.343 123 HB2 LEU 22 1HB LEU 22 -3.154 1.322 -5.664 124 HB3 LEU 22 2HB LEU 22 -4.584 0.305 -5.831 125 HG LEU 22 HG LEU 22 -1.836 -0.292 -6.928 126 HD11 LEU 22 1HD1 LEU 22 -2.505 -0.480 -4.366 127 HD12 LEU 22 2HD1 LEU 22 -1.483 -1.676 -5.162 128 HD13 LEU 22 3HD1 LEU 22 -3.200 -2.002 -4.927 129 HD21 LEU 22 1HD2 LEU 22 -2.842 -1.697 -8.319 130 HD22 LEU 22 2HD2 LEU 22 -4.425 -1.275 -7.666 131 HD23 LEU 22 3HD2 LEU 22 -3.482 -2.569 -6.926 132 H THR 23 H THR 23 -6.486 0.984 -8.157 133 HA THR 23 HA THR 23 -7.413 3.416 -6.795 134 HB THR 23 HB THR 23 -8.489 4.301 -8.589 135 HG1 THR 23 1HG THR 23 -9.947 2.837 -9.201 136 HG21 THR 23 1HG2 THR 23 -7.046 4.420 -10.358 137 HG22 THR 23 2HG2 THR 23 -6.801 2.675 -10.418 138 HG23 THR 23 3HG2 THR 23 -5.988 3.638 -9.185 139 HA PRO 24 HA PRO 24 -10.685 0.978 -5.180 140 HB2 PRO 24 1HB PRO 24 -12.794 2.686 -5.252 141 HB3 PRO 24 2HB PRO 24 -11.450 2.866 -4.118 142 HG2 PRO 24 1HG PRO 24 -11.946 4.281 -6.709 143 HG3 PRO 24 2HG PRO 24 -11.380 4.942 -5.164 144 HD2 PRO 24 1HD PRO 24 -9.701 4.396 -7.217 145 HD3 PRO 24 2HD PRO 24 -9.211 4.247 -5.518 146 H SER 25 H SER 25 -10.330 1.232 -8.284 147 HA SER 25 HA SER 25 -12.976 0.113 -8.947 148 HB2 SER 25 1HB SER 25 -11.223 2.011 -10.459 149 HB3 SER 25 2HB SER 25 -12.247 0.893 -11.359 150 HG SER 25 HG SER 25 -13.668 2.020 -9.389 151 H ASN 26 H ASN 26 -9.553 -0.254 -9.021 152 HA ASN 26 HA ASN 26 -9.880 -2.844 -10.384 153 HB2 ASN 26 1HB ASN 26 -7.348 -2.360 -11.010 154 HB3 ASN 26 2HB ASN 26 -8.668 -1.758 -12.008 155 HD21 ASN 26 1HD2 ASN 26 -5.996 -0.955 -10.071 156 HD22 ASN 26 2HD2 ASN 26 -6.146 0.763 -10.163 157 H PHE 27 H PHE 27 -8.811 -1.131 -7.664 158 HA PHE 27 HA PHE 27 -6.665 -2.352 -6.611 159 HB2 PHE 27 1HB PHE 27 -8.117 -0.677 -5.446 160 HB3 PHE 27 2HB PHE 27 -9.230 -1.984 -5.053 161 HD1 PHE 27 1HD PHE 27 -8.076 -4.058 -3.870 162 HD2 PHE 27 2HD PHE 27 -6.558 -0.082 -3.877 163 HE1 PHE 27 1HE PHE 27 -6.778 -4.554 -1.840 164 HE2 PHE 27 2HE PHE 27 -5.256 -0.571 -1.848 165 HZ PHE 27 HZ PHE 27 -5.365 -2.810 -0.827 166 H ASN 28 H ASN 28 -9.785 -3.835 -7.127 167 HA ASN 28 HA ASN 28 -9.090 -6.236 -5.668 168 HB2 ASN 28 1HB ASN 28 -11.428 -5.342 -5.770 169 HB3 ASN 28 2HB ASN 28 -11.461 -5.752 -7.482 170 HD21 ASN 28 1HD2 ASN 28 -11.241 -7.986 -8.069 171 HD22 ASN 28 2HD2 ASN 28 -11.771 -9.217 -6.979 172 H ARG 29 H ARG 29 -9.422 -5.212 -9.033 173 HA ARG 29 HA ARG 29 -8.799 -7.826 -10.070 174 HB2 ARG 29 1HB ARG 29 -9.426 -5.154 -11.215 175 HB3 ARG 29 2HB ARG 29 -8.504 -6.263 -12.221 176 HG2 ARG 29 1HG ARG 29 -10.252 -7.668 -12.518 177 HG3 ARG 29 2HG ARG 29 -10.923 -7.350 -10.917 178 HD2 ARG 29 1HD ARG 29 -12.110 -5.537 -11.624 179 HD3 ARG 29 2HD ARG 29 -10.940 -5.125 -12.878 180 HE ARG 29 HE ARG 29 -12.056 -6.509 -14.348 181 HH11 ARG 29 2HH1 ARG 29 -13.290 -6.942 -11.121 182 HH12 ARG 29 1HH1 ARG 29 -14.661 -7.871 -11.630 183 HH21 ARG 29 2HH2 ARG 29 -13.857 -7.731 -15.030 184 HH22 ARG 29 1HH2 ARG 29 -14.982 -8.320 -13.854 185 H GLU 30 H GLU 30 -6.979 -5.431 -8.674 186 HA GLU 30 HA GLU 30 -4.593 -6.070 -10.271 187 HB2 GLU 30 1HB GLU 30 -5.439 -3.690 -8.701 188 HB3 GLU 30 2HB GLU 30 -3.722 -4.067 -8.735 189 HG2 GLU 30 1HG GLU 30 -5.279 -3.925 -11.278 190 HG3 GLU 30 2HG GLU 30 -4.713 -2.452 -10.492 191 H VAL 31 H VAL 31 -5.695 -5.680 -6.914 192 HA VAL 31 HA VAL 31 -3.366 -7.211 -6.000 193 HB VAL 31 HB VAL 31 -5.388 -5.629 -4.407 194 HG11 VAL 31 1HG1 VAL 31 -2.966 -7.209 -3.584 195 HG12 VAL 31 2HG1 VAL 31 -3.664 -5.942 -2.573 196 HG13 VAL 31 3HG1 VAL 31 -4.623 -7.360 -2.999 197 HG21 VAL 31 1HG2 VAL 31 -2.495 -4.935 -4.653 198 HG22 VAL 31 2HG2 VAL 31 -3.611 -4.478 -5.940 199 HG23 VAL 31 3HG2 VAL 31 -3.874 -3.894 -4.297 200 H ILE 32 H ILE 32 -6.807 -7.012 -5.069 201 HA ILE 32 HA ILE 32 -7.030 -9.424 -3.781 202 HB ILE 32 HB ILE 32 -9.157 -8.205 -5.544 203 HG12 ILE 32 1HG1 ILE 32 -8.236 -6.590 -3.918 204 HG13 ILE 32 2HG1 ILE 32 -9.902 -7.019 -3.544 205 HG21 ILE 32 1HG2 ILE 32 -10.034 -9.517 -3.118 206 HG22 ILE 32 2HG2 ILE 32 -10.567 -9.750 -4.782 207 HG23 ILE 32 3HG2 ILE 32 -9.155 -10.617 -4.180 208 HD11 ILE 32 1HD1 ILE 32 -7.551 -8.328 -2.217 209 HD12 ILE 32 2HD1 ILE 32 -8.326 -6.871 -1.593 210 HD13 ILE 32 3HD1 ILE 32 -9.245 -8.370 -1.729 211 H GLN 33 H GLN 33 -7.037 -8.799 -7.233 212 HA GLN 33 HA GLN 33 -7.573 -11.614 -7.807 213 HB2 GLN 33 1HB GLN 33 -7.421 -9.150 -9.533 214 HB3 GLN 33 2HB GLN 33 -7.485 -10.768 -10.220 215 HG2 GLN 33 1HG GLN 33 -9.585 -9.195 -8.859 216 HG3 GLN 33 2HG GLN 33 -9.693 -10.276 -10.247 217 HE21 GLN 33 1HE2 GLN 33 -9.910 -9.981 -6.833 218 HE22 GLN 33 2HE2 GLN 33 -10.415 -11.600 -6.503 219 H SER 34 H SER 34 -5.072 -10.739 -6.557 220 HA SER 34 HA SER 34 -3.216 -11.746 -8.608 221 HB2 SER 34 1HB SER 34 -2.679 -9.430 -8.419 222 HB3 SER 34 2HB SER 34 -2.784 -9.478 -6.660 223 HG SER 34 HG SER 34 -0.965 -11.224 -7.791 224 H ASP 35 H ASP 35 -2.963 -13.797 -7.920 225 HA ASP 35 HA ASP 35 -3.029 -14.729 -5.305 226 HB2 ASP 35 1HB ASP 35 -3.185 -16.365 -6.982 227 HB3 ASP 35 2HB ASP 35 -1.741 -15.785 -7.808 228 H GLY 36 H GLY 36 -0.463 -13.170 -7.060 229 HA2 GLY 36 1HA GLY 36 1.664 -13.970 -5.329 230 HA3 GLY 36 2HA GLY 36 1.711 -12.656 -6.494 231 H LEU 37 H LEU 37 3.017 -11.731 -4.660 232 HA LEU 37 HA LEU 37 1.452 -10.758 -2.413 233 HB2 LEU 37 1HB LEU 37 3.964 -11.570 -2.493 234 HB3 LEU 37 2HB LEU 37 4.251 -9.884 -2.917 235 HG LEU 37 HG LEU 37 2.913 -9.351 -0.774 236 HD11 LEU 37 1HD1 LEU 37 3.356 -11.210 0.944 237 HD12 LEU 37 2HD1 LEU 37 3.475 -12.276 -0.456 238 HD13 LEU 37 3HD1 LEU 37 1.982 -11.388 -0.148 239 HD21 LEU 37 1HD2 LEU 37 5.616 -10.646 -0.469 240 HD22 LEU 37 2HD2 LEU 37 4.916 -9.371 0.528 241 HD23 LEU 37 3HD2 LEU 37 5.363 -9.037 -1.146 242 H TRP 38 H TRP 38 0.967 -8.621 -2.005 243 HA TRP 38 HA TRP 38 1.609 -6.676 -4.112 244 HB2 TRP 38 1HB TRP 38 -1.043 -7.631 -3.272 245 HB3 TRP 38 2HB TRP 38 -0.888 -5.877 -3.327 246 HD1 TRP 38 HD TRP 38 -1.042 -8.940 -5.567 247 HE1 TRP 38 1HE TRP 38 -1.234 -8.179 -8.018 248 HE3 TRP 38 3HE TRP 38 -0.205 -3.937 -4.931 249 HZ2 TRP 38 2HZ TRP 38 -1.053 -5.776 -9.488 250 HZ3 TRP 38 3HZ TRP 38 -0.230 -2.476 -6.911 251 HH2 TRP 38 HH TRP 38 -0.645 -3.378 -9.141 252 H LEU 39 H LEU 39 2.364 -4.805 -3.353 253 HA LEU 39 HA LEU 39 2.052 -4.259 -0.477 254 HB2 LEU 39 1HB LEU 39 4.279 -3.892 -2.395 255 HB3 LEU 39 2HB LEU 39 4.083 -2.659 -1.151 256 HG LEU 39 HG LEU 39 4.311 -5.585 -0.493 257 HD11 LEU 39 1HD1 LEU 39 6.299 -4.148 -1.739 258 HD12 LEU 39 2HD1 LEU 39 6.526 -5.581 -0.738 259 HD13 LEU 39 3HD1 LEU 39 6.687 -3.976 -0.027 260 HD21 LEU 39 1HD2 LEU 39 5.273 -4.401 1.626 261 HD22 LEU 39 2HD2 LEU 39 3.529 -4.517 1.390 262 HD23 LEU 39 3HD2 LEU 39 4.371 -3.012 1.019 263 H VAL 40 H VAL 40 0.297 -2.962 -0.346 264 HA VAL 40 HA VAL 40 0.130 -0.644 -2.141 265 HB VAL 40 HB VAL 40 -1.988 -1.669 -0.249 266 HG11 VAL 40 1HG1 VAL 40 -3.305 -0.336 -2.176 267 HG12 VAL 40 2HG1 VAL 40 -2.751 0.415 -0.678 268 HG13 VAL 40 3HG1 VAL 40 -1.797 0.577 -2.153 269 HG21 VAL 40 1HG2 VAL 40 -1.617 -3.401 -1.835 270 HG22 VAL 40 2HG2 VAL 40 -3.063 -2.533 -2.353 271 HG23 VAL 40 3HG2 VAL 40 -1.525 -2.249 -3.168 272 H GLU 41 H GLU 41 0.579 1.334 -1.424 273 HA GLU 41 HA GLU 41 0.731 1.755 1.489 274 HB2 GLU 41 1HB GLU 41 2.939 1.947 0.748 275 HB3 GLU 41 2HB GLU 41 2.469 2.738 -0.750 276 HG2 GLU 41 1HG GLU 41 1.912 4.133 1.811 277 HG3 GLU 41 2HG GLU 41 3.575 4.069 1.230 278 H PHE 42 H PHE 42 -0.348 3.435 2.358 279 HA PHE 42 HA PHE 42 -1.971 5.058 0.530 280 HB2 PHE 42 1HB PHE 42 -2.293 4.572 3.500 281 HB3 PHE 42 2HB PHE 42 -3.387 5.515 2.494 282 HD1 PHE 42 1HD PHE 42 -2.058 2.120 3.083 283 HD2 PHE 42 2HD PHE 42 -5.074 4.479 1.225 284 HE1 PHE 42 1HE PHE 42 -3.330 0.078 2.564 285 HE2 PHE 42 2HE PHE 42 -6.352 2.442 0.704 286 HZ PHE 42 HZ PHE 42 -5.481 0.238 1.374 287 H TYR 43 H TYR 43 -0.790 6.808 -0.020 288 HA TYR 43 HA TYR 43 0.499 8.343 2.132 289 HB2 TYR 43 1HB TYR 43 1.938 9.297 0.488 290 HB3 TYR 43 2HB TYR 43 1.887 7.568 0.167 291 HD1 TYR 43 1HD TYR 43 0.437 10.814 -0.920 292 HD2 TYR 43 2HD TYR 43 1.274 6.771 -1.949 293 HE1 TYR 43 1HE TYR 43 -0.230 11.273 -3.243 294 HE2 TYR 43 2HE TYR 43 0.611 7.220 -4.274 295 HH TYR 43 HH TYR 43 -1.155 9.754 -5.226 296 H ALA 44 H ALA 44 0.604 10.802 1.455 297 HA ALA 44 HA ALA 44 -2.036 11.661 0.491 298 HB1 ALA 44 1HB ALA 44 -0.805 12.185 3.137 299 HB2 ALA 44 2HB ALA 44 -1.694 13.503 2.372 300 HB3 ALA 44 3HB ALA 44 -2.499 11.967 2.696 301 HA PRO 45 HA PRO 45 0.652 14.236 -1.962 302 HB2 PRO 45 1HB PRO 45 -1.335 15.477 -3.334 303 HB3 PRO 45 2HB PRO 45 -0.799 13.832 -3.697 304 HG2 PRO 45 1HG PRO 45 -3.163 14.745 -2.104 305 HG3 PRO 45 2HG PRO 45 -3.058 13.445 -3.305 306 HD2 PRO 45 1HD PRO 45 -3.016 12.973 -0.639 307 HD3 PRO 45 2HD PRO 45 -2.135 11.961 -1.802 308 H TRP 46 H TRP 46 -1.119 15.059 0.654 309 HA TRP 46 HA TRP 46 -0.583 17.938 0.313 310 HB2 TRP 46 1HB TRP 46 -2.384 18.276 2.042 311 HB3 TRP 46 2HB TRP 46 -2.950 17.640 0.501 312 HD1 TRP 46 HD TRP 46 -4.423 15.541 0.626 313 HE1 TRP 46 1HE TRP 46 -5.001 13.811 2.442 314 HE3 TRP 46 3HE TRP 46 -1.171 17.067 4.263 315 HZ2 TRP 46 2HZ TRP 46 -4.186 13.179 5.070 316 HZ3 TRP 46 3HZ TRP 46 -1.133 15.847 6.400 317 HH2 TRP 46 HH TRP 46 -2.611 13.943 6.793 318 H CYS 47 H CYS 47 0.225 15.130 1.990 319 HA CYS 47 HA CYS 47 1.093 16.512 4.402 320 HB2 CYS 47 1HB CYS 47 0.086 14.052 4.113 321 HB3 CYS 47 2HB CYS 47 1.790 13.660 3.918 322 HG CYS 47 HG CYS 47 2.590 14.333 6.397 323 H GLY 48 H GLY 48 3.377 15.551 5.179 324 HA2 GLY 48 1HA GLY 48 5.248 16.321 3.039 325 HA3 GLY 48 2HA GLY 48 5.561 16.466 4.762 326 H HIS 49 H HIS 49 5.453 14.260 5.940 327 HA HIS 49 HA HIS 49 7.567 12.695 5.170 328 HB2 HIS 49 1HB HIS 49 6.476 10.887 6.614 329 HB3 HIS 49 2HB HIS 49 6.790 12.439 7.384 330 HD1 HIS 49 1HD HIS 49 4.939 12.742 9.002 331 HD2 HIS 49 2HD HIS 49 3.578 11.370 5.324 332 HE1 HIS 49 1HE HIS 49 2.430 12.719 9.179 333 HE2 HIS 49 2HE HIS 49 1.632 11.804 6.972 334 H CYS 50 H CYS 50 4.426 12.749 3.826 335 HA CYS 50 HA CYS 50 4.602 10.094 2.673 336 HB2 CYS 50 1HB CYS 50 2.554 12.266 2.723 337 HB3 CYS 50 2HB CYS 50 2.481 11.080 1.426 338 HG CYS 50 HG CYS 50 2.854 9.500 4.276 339 H GLN 51 H GLN 51 4.737 13.460 1.574 340 HA GLN 51 HA GLN 51 5.055 12.869 -1.172 341 HB2 GLN 51 1HB GLN 51 5.830 15.313 0.426 342 HB3 GLN 51 2HB GLN 51 5.890 15.221 -1.330 343 HG2 GLN 51 1HG GLN 51 3.548 15.036 -1.501 344 HG3 GLN 51 2HG GLN 51 3.373 14.720 0.225 345 HE21 GLN 51 1HE2 GLN 51 1.771 16.493 -0.097 346 HE22 GLN 51 2HE2 GLN 51 2.331 18.115 0.094 347 H ARG 52 H ARG 52 7.203 12.726 1.493 348 HA ARG 52 HA ARG 52 9.592 12.876 -0.163 349 HB2 ARG 52 1HB ARG 52 10.811 12.587 1.959 350 HB3 ARG 52 2HB ARG 52 9.672 13.925 2.029 351 HG2 ARG 52 1HG ARG 52 9.221 12.957 4.029 352 HG3 ARG 52 2HG ARG 52 8.092 12.050 3.021 353 HD2 ARG 52 1HD ARG 52 9.164 10.401 4.271 354 HD3 ARG 52 2HD ARG 52 10.016 10.375 2.728 355 HE ARG 52 HE ARG 52 11.514 12.067 4.182 356 HH11 ARG 52 2HH1 ARG 52 10.249 8.893 4.847 357 HH12 ARG 52 1HH1 ARG 52 11.559 8.447 5.890 358 HH21 ARG 52 2HH2 ARG 52 13.244 11.492 5.553 359 HH22 ARG 52 1HH2 ARG 52 13.261 9.927 6.291 360 H LEU 53 H LEU 53 7.362 10.550 0.740 361 HA LEU 53 HA LEU 53 9.282 8.349 0.721 362 HB2 LEU 53 1HB LEU 53 7.423 8.440 2.385 363 HB3 LEU 53 2HB LEU 53 6.289 8.243 1.050 364 HG LEU 53 HG LEU 53 7.305 6.039 0.563 365 HD11 LEU 53 1HD1 LEU 53 9.196 5.352 1.501 366 HD12 LEU 53 2HD1 LEU 53 8.590 5.694 3.121 367 HD13 LEU 53 3HD1 LEU 53 9.369 6.969 2.185 368 HD21 LEU 53 1HD2 LEU 53 5.775 6.772 2.922 369 HD22 LEU 53 2HD2 LEU 53 6.646 5.252 3.124 370 HD23 LEU 53 3HD2 LEU 53 5.527 5.456 1.775 371 H THR 54 H THR 54 8.003 10.147 -1.579 372 HA THR 54 HA THR 54 6.709 8.374 -3.338 373 HB THR 54 HB THR 54 8.386 10.547 -4.487 374 HG1 THR 54 1HG THR 54 7.675 11.859 -2.967 375 HG21 THR 54 1HG2 THR 54 5.566 10.627 -5.055 376 HG22 THR 54 2HG2 THR 54 6.191 8.995 -5.289 377 HG23 THR 54 3HG2 THR 54 6.918 10.350 -6.152 378 HA PRO 55 HA PRO 55 11.097 7.780 -5.325 379 HB2 PRO 55 1HB PRO 55 13.220 8.413 -3.755 380 HB3 PRO 55 2HB PRO 55 12.457 9.570 -4.853 381 HG2 PRO 55 1HG PRO 55 12.092 9.237 -1.901 382 HG3 PRO 55 2HG PRO 55 12.263 10.728 -2.845 383 HD2 PRO 55 1HD PRO 55 9.863 9.813 -1.988 384 HD3 PRO 55 2HD PRO 55 10.055 10.710 -3.508 385 H GLU 56 H GLU 56 11.374 7.495 -1.774 386 HA GLU 56 HA GLU 56 12.808 5.142 -1.652 387 HB2 GLU 56 1HB GLU 56 10.702 6.258 0.194 388 HB3 GLU 56 2HB GLU 56 11.603 4.797 0.572 389 HG2 GLU 56 1HG GLU 56 12.941 6.263 1.630 390 HG3 GLU 56 2HG GLU 56 13.649 6.418 0.023 391 H TRP 57 H TRP 57 9.301 5.567 -1.910 392 HA TRP 57 HA TRP 57 8.695 2.790 -1.785 393 HB2 TRP 57 1HB TRP 57 7.116 4.749 -1.333 394 HB3 TRP 57 2HB TRP 57 6.973 4.899 -3.082 395 HD1 TRP 57 HD TRP 57 4.821 3.805 -3.896 396 HE1 TRP 57 1HE TRP 57 3.447 1.721 -3.269 397 HE3 TRP 57 3HE TRP 57 7.680 2.083 -0.023 398 HZ2 TRP 57 2HZ TRP 57 3.560 -0.376 -1.382 399 HZ3 TRP 57 3HZ TRP 57 6.977 0.032 1.140 400 HH2 TRP 57 HH TRP 57 4.960 -1.171 0.473 401 H LYS 58 H LYS 58 8.967 5.097 -4.475 402 HA LYS 58 HA LYS 58 8.290 3.431 -6.574 403 HB2 LYS 58 1HB LYS 58 10.124 5.789 -6.338 404 HB3 LYS 58 2HB LYS 58 10.041 4.902 -7.854 405 HG2 LYS 58 1HG LYS 58 7.691 5.362 -8.056 406 HG3 LYS 58 2HG LYS 58 7.664 6.114 -6.460 407 HD2 LYS 58 1HD LYS 58 9.339 7.777 -7.339 408 HD3 LYS 58 2HD LYS 58 9.053 7.102 -8.945 409 HE2 LYS 58 1HE LYS 58 6.686 7.672 -8.768 410 HE3 LYS 58 2HE LYS 58 6.954 8.318 -7.149 411 HZ1 LYS 58 1HZ LYS 58 8.072 10.136 -7.962 412 HZ2 LYS 58 2HZ LYS 58 6.911 9.907 -9.170 413 HZ3 LYS 58 3HZ LYS 58 8.500 9.382 -9.415 414 H LYS 59 H LYS 59 11.519 3.970 -5.178 415 HA LYS 59 HA LYS 59 13.055 2.389 -6.796 416 HB2 LYS 59 1HB LYS 59 13.179 3.033 -3.879 417 HB3 LYS 59 2HB LYS 59 14.295 1.842 -4.534 418 HG2 LYS 59 1HG LYS 59 14.996 3.557 -6.218 419 HG3 LYS 59 2HG LYS 59 14.024 4.730 -5.327 420 HD2 LYS 59 1HD LYS 59 16.020 3.098 -3.834 421 HD3 LYS 59 2HD LYS 59 16.596 4.432 -4.836 422 HE2 LYS 59 1HE LYS 59 14.874 5.868 -3.634 423 HE3 LYS 59 2HE LYS 59 14.714 4.533 -2.493 424 HZ1 LYS 59 1HZ LYS 59 16.574 6.552 -2.411 425 HZ2 LYS 59 2HZ LYS 59 17.445 5.197 -2.929 426 HZ3 LYS 59 3HZ LYS 59 16.575 5.140 -1.479 427 H ALA 60 H ALA 60 11.453 1.271 -3.809 428 HA ALA 60 HA ALA 60 12.077 -1.421 -4.022 429 HB1 ALA 60 1HB ALA 60 10.753 -1.690 -2.225 430 HB2 ALA 60 2HB ALA 60 10.700 0.074 -2.236 431 HB3 ALA 60 3HB ALA 60 9.392 -0.852 -2.971 432 H ALA 61 H ALA 61 9.518 0.419 -5.573 433 HA ALA 61 HA ALA 61 8.033 -1.779 -6.554 434 HB1 ALA 61 1HB ALA 61 6.710 0.013 -6.800 435 HB2 ALA 61 2HB ALA 61 8.073 1.122 -6.955 436 HB3 ALA 61 3HB ALA 61 7.524 0.199 -8.353 437 H THR 62 H THR 62 10.806 -0.010 -7.782 438 HA THR 62 HA THR 62 10.763 -1.061 -10.411 439 HB THR 62 HB THR 62 13.150 -0.051 -8.853 440 HG1 THR 62 1HG THR 62 11.409 1.480 -9.044 441 HG21 THR 62 1HG2 THR 62 12.770 -0.038 -11.837 442 HG22 THR 62 2HG2 THR 62 13.532 -1.387 -10.996 443 HG23 THR 62 3HG2 THR 62 14.252 0.221 -10.918 444 H ALA 63 H ALA 63 12.504 -2.031 -7.472 445 HA ALA 63 HA ALA 63 13.806 -4.246 -8.729 446 HB1 ALA 63 1HB ALA 63 14.725 -4.728 -6.623 447 HB2 ALA 63 2HB ALA 63 14.596 -2.970 -6.674 448 HB3 ALA 63 3HB ALA 63 13.413 -3.914 -5.770 449 H LEU 64 H LEU 64 10.959 -3.863 -6.661 450 HA LEU 64 HA LEU 64 10.407 -6.713 -6.745 451 HB2 LEU 64 1HB LEU 64 8.676 -4.542 -5.588 452 HB3 LEU 64 2HB LEU 64 8.629 -6.266 -5.228 453 HG LEU 64 HG LEU 64 11.053 -4.627 -4.575 454 HD11 LEU 64 1HD1 LEU 64 10.182 -4.122 -2.414 455 HD12 LEU 64 2HD1 LEU 64 8.707 -5.033 -2.732 456 HD13 LEU 64 3HD1 LEU 64 9.024 -3.536 -3.609 457 HD21 LEU 64 1HD2 LEU 64 11.411 -6.958 -4.399 458 HD22 LEU 64 2HD2 LEU 64 9.862 -7.211 -3.596 459 HD23 LEU 64 3HD2 LEU 64 11.166 -6.373 -2.754 460 H LYS 65 H LYS 65 10.212 -4.650 -9.068 461 HA LYS 65 HA LYS 65 7.626 -4.305 -9.930 462 HB2 LYS 65 1HB LYS 65 9.230 -3.291 -11.271 463 HB3 LYS 65 2HB LYS 65 10.212 -4.747 -11.374 464 HG2 LYS 65 1HG LYS 65 8.625 -5.760 -12.883 465 HG3 LYS 65 2HG LYS 65 7.542 -4.376 -12.716 466 HD2 LYS 65 1HD LYS 65 10.338 -3.869 -13.594 467 HD3 LYS 65 2HD LYS 65 9.224 -4.600 -14.752 468 HE2 LYS 65 1HE LYS 65 7.680 -2.753 -14.477 469 HE3 LYS 65 2HE LYS 65 8.708 -2.046 -13.232 470 HZ1 LYS 65 1HZ LYS 65 9.379 -2.382 -16.104 471 HZ2 LYS 65 2HZ LYS 65 10.466 -1.834 -14.929 472 HZ3 LYS 65 3HZ LYS 65 9.087 -0.925 -15.296 473 H ASP 66 H ASP 66 9.718 -7.107 -10.613 474 HA ASP 66 HA ASP 66 7.377 -8.595 -11.545 475 HB2 ASP 66 1HB ASP 66 10.337 -8.941 -11.847 476 HB3 ASP 66 2HB ASP 66 9.279 -10.337 -12.039 477 H VAL 67 H VAL 67 9.363 -8.237 -8.804 478 HA VAL 67 HA VAL 67 8.964 -10.895 -7.756 479 HB VAL 67 HB VAL 67 9.784 -8.605 -6.022 480 HG11 VAL 67 1HG1 VAL 67 11.337 -10.360 -5.151 481 HG12 VAL 67 2HG1 VAL 67 9.624 -10.743 -4.969 482 HG13 VAL 67 3HG1 VAL 67 10.568 -11.505 -6.250 483 HG21 VAL 67 1HG2 VAL 67 12.135 -8.944 -6.834 484 HG22 VAL 67 2HG2 VAL 67 11.463 -9.836 -8.199 485 HG23 VAL 67 3HG2 VAL 67 11.062 -8.133 -7.975 486 H VAL 68 H VAL 68 8.037 -7.686 -6.495 487 HA VAL 68 HA VAL 68 5.485 -8.863 -5.618 488 HB VAL 68 HB VAL 68 7.243 -6.996 -4.024 489 HG11 VAL 68 1HG1 VAL 68 5.094 -6.226 -3.568 490 HG12 VAL 68 2HG1 VAL 68 4.390 -7.842 -3.664 491 HG13 VAL 68 3HG1 VAL 68 5.389 -7.394 -2.280 492 HG21 VAL 68 1HG2 VAL 68 6.955 -8.934 -2.348 493 HG22 VAL 68 2HG2 VAL 68 6.477 -9.882 -3.756 494 HG23 VAL 68 3HG2 VAL 68 8.078 -9.144 -3.691 495 H LYS 69 H LYS 69 3.808 -7.826 -6.452 496 HA LYS 69 HA LYS 69 4.019 -5.491 -7.994 497 HB2 LYS 69 1HB LYS 69 1.644 -6.887 -6.766 498 HB3 LYS 69 2HB LYS 69 1.481 -5.473 -7.799 499 HG2 LYS 69 1HG LYS 69 3.069 -7.762 -8.822 500 HG3 LYS 69 2HG LYS 69 1.313 -7.932 -8.748 501 HD2 LYS 69 1HD LYS 69 0.995 -6.030 -10.153 502 HD3 LYS 69 2HD LYS 69 2.704 -5.601 -10.057 503 HE2 LYS 69 1HE LYS 69 2.467 -6.622 -12.152 504 HE3 LYS 69 2HE LYS 69 3.155 -7.876 -11.122 505 HZ1 LYS 69 1HZ LYS 69 1.185 -9.034 -11.064 506 HZ2 LYS 69 2HZ LYS 69 1.162 -8.431 -12.644 507 HZ3 LYS 69 3HZ LYS 69 0.236 -7.685 -11.441 508 H VAL 70 H VAL 70 4.761 -3.665 -7.067 509 HA VAL 70 HA VAL 70 3.629 -2.803 -4.505 510 HB VAL 70 HB VAL 70 5.964 -1.687 -6.065 511 HG11 VAL 70 1HG1 VAL 70 4.903 -0.981 -3.332 512 HG12 VAL 70 2HG1 VAL 70 6.430 -0.409 -4.004 513 HG13 VAL 70 3HG1 VAL 70 4.905 0.051 -4.761 514 HG21 VAL 70 1HG2 VAL 70 6.747 -2.692 -3.553 515 HG22 VAL 70 2HG2 VAL 70 5.733 -3.927 -4.299 516 HG23 VAL 70 3HG2 VAL 70 7.156 -3.323 -5.149 517 H GLY 71 H GLY 71 1.736 -1.776 -4.805 518 HA2 GLY 71 1HA GLY 71 1.442 0.067 -7.062 519 HA3 GLY 71 2HA GLY 71 0.149 -0.512 -6.022 520 H ALA 72 H ALA 72 -0.584 1.659 -5.808 521 HA ALA 72 HA ALA 72 0.413 2.965 -3.499 522 HB1 ALA 72 1HB ALA 72 0.906 4.401 -6.105 523 HB2 ALA 72 2HB ALA 72 1.172 5.052 -4.487 524 HB3 ALA 72 3HB ALA 72 2.149 3.703 -5.065 525 H VAL 73 H VAL 73 -1.429 3.559 -2.580 526 HA VAL 73 HA VAL 73 -3.580 4.630 -4.287 527 HB VAL 73 HB VAL 73 -3.655 2.964 -1.802 528 HG11 VAL 73 1HG1 VAL 73 -6.254 3.621 -2.069 529 HG12 VAL 73 2HG1 VAL 73 -5.154 4.416 -0.941 530 HG13 VAL 73 3HG1 VAL 73 -5.498 5.153 -2.507 531 HG21 VAL 73 1HG2 VAL 73 -5.456 1.827 -3.123 532 HG22 VAL 73 2HG2 VAL 73 -5.064 2.902 -4.465 533 HG23 VAL 73 3HG2 VAL 73 -3.854 1.771 -3.859 534 H ASN 74 H ASN 74 -4.042 6.711 -4.057 535 HA ASN 74 HA ASN 74 -2.764 8.329 -2.096 536 HB2 ASN 74 1HB ASN 74 -3.242 9.275 -4.259 537 HB3 ASN 74 2HB ASN 74 -4.961 8.932 -4.084 538 HD21 ASN 74 1HD2 ASN 74 -4.989 11.276 -4.644 539 HD22 ASN 74 2HD2 ASN 74 -4.921 12.405 -3.338 540 H ALA 75 H ALA 75 -3.417 7.514 -0.081 541 HA ALA 75 HA ALA 75 -5.865 6.900 0.893 542 HB1 ALA 75 1HB ALA 75 -4.846 6.913 2.876 543 HB2 ALA 75 2HB ALA 75 -3.406 7.452 2.012 544 HB3 ALA 75 3HB ALA 75 -4.475 8.634 2.767 545 H ASP 76 H ASP 76 -4.606 10.159 0.370 546 HA ASP 76 HA ASP 76 -6.703 11.579 1.584 547 HB2 ASP 76 1HB ASP 76 -4.558 12.615 0.971 548 HB3 ASP 76 2HB ASP 76 -4.948 12.414 -0.735 549 H LYS 77 H LYS 77 -6.256 10.462 -1.747 550 HA LYS 77 HA LYS 77 -8.801 11.546 -2.585 551 HB2 LYS 77 1HB LYS 77 -7.086 11.570 -4.234 552 HB3 LYS 77 2HB LYS 77 -6.703 9.876 -3.963 553 HG2 LYS 77 1HG LYS 77 -9.159 9.484 -4.740 554 HG3 LYS 77 2HG LYS 77 -8.980 11.087 -5.457 555 HD2 LYS 77 1HD LYS 77 -6.922 8.957 -5.919 556 HD3 LYS 77 2HD LYS 77 -8.399 9.015 -6.885 557 HE2 LYS 77 1HE LYS 77 -6.461 11.303 -6.564 558 HE3 LYS 77 2HE LYS 77 -6.478 10.189 -7.930 559 HZ1 LYS 77 1HZ LYS 77 -9.046 11.351 -7.401 560 HZ2 LYS 77 2HZ LYS 77 -8.183 11.256 -8.852 561 HZ3 LYS 77 3HZ LYS 77 -7.871 12.513 -7.764 562 H HIS 78 H HIS 78 -7.422 8.254 -2.509 563 HA HIS 78 HA HIS 78 -10.053 7.077 -2.689 564 HB2 HIS 78 1HB HIS 78 -7.384 5.734 -2.213 565 HB3 HIS 78 2HB HIS 78 -8.884 4.940 -2.682 566 HD1 HIS 78 1HD HIS 78 -9.787 6.718 -4.986 567 HD2 HIS 78 2HD HIS 78 -5.859 5.478 -4.442 568 HE1 HIS 78 1HE HIS 78 -8.715 6.863 -7.256 569 HE2 HIS 78 2HE HIS 78 -6.363 6.028 -6.919 570 H GLN 79 H GLN 79 -9.789 8.699 -0.419 571 HA GLN 79 HA GLN 79 -9.034 7.704 1.968 572 HB2 GLN 79 1HB GLN 79 -11.529 9.182 1.191 573 HB3 GLN 79 2HB GLN 79 -11.259 8.705 2.862 574 HG2 GLN 79 1HG GLN 79 -9.226 10.276 1.319 575 HG3 GLN 79 2HG GLN 79 -10.562 11.052 2.170 576 HE21 GLN 79 1HE2 GLN 79 -9.687 11.982 3.887 577 HE22 GLN 79 2HE2 GLN 79 -8.658 11.207 5.038 578 H SER 80 H SER 80 -11.808 6.627 0.085 579 HA SER 80 HA SER 80 -13.042 5.003 1.986 580 HB2 SER 80 1HB SER 80 -12.906 4.839 -1.023 581 HB3 SER 80 2HB SER 80 -13.850 3.696 -0.066 582 HG SER 80 HG SER 80 -15.211 5.349 -0.614 583 H LEU 81 H LEU 81 -10.616 4.117 -0.466 584 HA LEU 81 HA LEU 81 -10.357 1.430 0.200 585 HB2 LEU 81 1HB LEU 81 -8.351 3.380 -0.908 586 HB3 LEU 81 2HB LEU 81 -8.042 1.651 -0.764 587 HG LEU 81 HG LEU 81 -10.202 2.916 -2.451 588 HD11 LEU 81 1HD1 LEU 81 -8.468 3.331 -3.811 589 HD12 LEU 81 2HD1 LEU 81 -8.541 1.602 -4.147 590 HD13 LEU 81 3HD1 LEU 81 -7.397 2.220 -2.956 591 HD21 LEU 81 1HD2 LEU 81 -9.908 0.275 -1.436 592 HD22 LEU 81 2HD2 LEU 81 -9.620 0.240 -3.176 593 HD23 LEU 81 3HD2 LEU 81 -11.128 0.904 -2.544 594 H GLY 82 H GLY 82 -8.435 4.198 1.364 595 HA2 GLY 82 1HA GLY 82 -6.786 2.745 3.108 596 HA3 GLY 82 2HA GLY 82 -7.147 4.459 3.244 597 H GLY 83 H GLY 83 -9.601 4.762 3.986 598 HA2 GLY 83 1HA GLY 83 -9.705 3.980 6.666 599 HA3 GLY 83 2HA GLY 83 -11.063 4.615 5.748 600 H GLN 84 H GLN 84 -11.066 2.458 3.806 601 HA GLN 84 HA GLN 84 -12.855 0.709 5.047 602 HB2 GLN 84 1HB GLN 84 -12.845 1.045 2.639 603 HB3 GLN 84 2HB GLN 84 -11.242 0.333 2.519 604 HG2 GLN 84 1HG GLN 84 -12.019 -1.810 2.891 605 HG3 GLN 84 2HG GLN 84 -13.499 -1.247 3.666 606 HE21 GLN 84 1HE2 GLN 84 -11.813 -1.331 0.565 607 HE22 GLN 84 2HE2 GLN 84 -13.237 -1.403 -0.410 608 H TYR 85 H TYR 85 -9.472 0.798 5.184 609 HA TYR 85 HA TYR 85 -9.338 -2.013 6.043 610 HB2 TYR 85 1HB TYR 85 -7.279 -0.141 4.905 611 HB3 TYR 85 2HB TYR 85 -6.797 -1.569 5.815 612 HD1 TYR 85 1HD TYR 85 -9.229 -0.747 3.087 613 HD2 TYR 85 2HD TYR 85 -6.233 -3.397 4.540 614 HE1 TYR 85 1HE TYR 85 -9.458 -2.112 1.054 615 HE2 TYR 85 2HE TYR 85 -6.454 -4.768 2.510 616 HH TYR 85 HH TYR 85 -7.867 -3.761 -0.245 617 H GLY 86 H GLY 86 -8.503 1.296 6.937 618 HA2 GLY 86 1HA GLY 86 -8.966 1.627 9.425 619 HA3 GLY 86 2HA GLY 86 -7.791 0.337 9.634 620 H VAL 87 H VAL 87 -7.419 2.723 7.124 621 HA VAL 87 HA VAL 87 -4.868 3.511 8.193 622 HB VAL 87 HB VAL 87 -6.359 4.622 5.811 623 HG11 VAL 87 1HG1 VAL 87 -4.068 5.564 7.117 624 HG12 VAL 87 2HG1 VAL 87 -3.491 4.749 5.661 625 HG13 VAL 87 3HG1 VAL 87 -4.678 6.048 5.535 626 HG21 VAL 87 1HG2 VAL 87 -4.863 2.148 6.222 627 HG22 VAL 87 2HG2 VAL 87 -5.984 2.594 4.936 628 HG23 VAL 87 3HG2 VAL 87 -4.296 3.097 4.847 629 H GLN 88 H GLN 88 -4.610 5.020 9.689 630 HA GLN 88 HA GLN 88 -6.532 7.252 9.783 631 HB2 GLN 88 1HB GLN 88 -5.187 5.723 11.992 632 HB3 GLN 88 2HB GLN 88 -5.773 7.360 12.257 633 HG2 GLN 88 1HG GLN 88 -7.996 6.407 11.269 634 HG3 GLN 88 2HG GLN 88 -7.302 4.858 11.749 635 HE21 GLN 88 1HE2 GLN 88 -7.603 4.219 13.765 636 HE22 GLN 88 2HE2 GLN 88 -8.129 5.217 15.074 637 H GLY 89 H GLY 89 -3.177 6.257 9.998 638 HA2 GLY 89 1HA GLY 89 -2.407 9.084 9.654 639 HA3 GLY 89 2HA GLY 89 -1.566 8.065 10.813 640 H PHE 90 H PHE 90 -1.223 9.399 7.900 641 HA PHE 90 HA PHE 90 0.101 7.092 6.665 642 HB2 PHE 90 1HB PHE 90 0.032 9.644 5.188 643 HB3 PHE 90 2HB PHE 90 -0.340 8.013 4.640 644 HD1 PHE 90 2HD PHE 90 -2.455 7.388 6.719 645 HD2 PHE 90 1HD PHE 90 -1.796 10.791 4.250 646 HE1 PHE 90 2HE PHE 90 -4.857 7.910 6.804 647 HE2 PHE 90 1HE PHE 90 -4.198 11.319 4.331 648 HZ PHE 90 HZ PHE 90 -5.732 9.877 5.608 649 HA PRO 91 HA PRO 91 1.452 7.357 4.587 650 HB2 PRO 91 1HB PRO 91 3.731 5.900 4.355 651 HB3 PRO 91 2HB PRO 91 3.566 7.536 3.705 652 HG2 PRO 91 1HG PRO 91 4.848 6.630 6.254 653 HG3 PRO 91 2HG PRO 91 5.418 7.830 5.080 654 HD2 PRO 91 1HD PRO 91 4.199 8.523 7.396 655 HD3 PRO 91 2HD PRO 91 4.042 9.482 5.910 656 H THR 92 H THR 92 0.663 5.284 4.413 657 HA THR 92 HA THR 92 1.112 3.481 6.698 658 HB THR 92 HB THR 92 -1.502 4.318 5.478 659 HG1 THR 92 1HG THR 92 -1.086 5.374 7.356 660 HG21 THR 92 1HG2 THR 92 -0.949 1.761 6.986 661 HG22 THR 92 2HG2 THR 92 -1.553 1.911 5.335 662 HG23 THR 92 3HG2 THR 92 -2.558 2.420 6.692 663 H ILE 93 H ILE 93 2.306 1.906 5.798 664 HA ILE 93 HA ILE 93 1.667 0.928 3.128 665 HB ILE 93 HB ILE 93 3.888 0.063 4.982 666 HG12 ILE 93 1HG1 ILE 93 4.279 1.777 2.556 667 HG13 ILE 93 2HG1 ILE 93 3.777 2.522 4.070 668 HG21 ILE 93 1HG2 ILE 93 4.259 -1.559 3.516 669 HG22 ILE 93 2HG2 ILE 93 2.899 -1.012 2.537 670 HG23 ILE 93 3HG2 ILE 93 4.509 -0.349 2.257 671 HD11 ILE 93 1HD1 ILE 93 6.310 1.028 3.485 672 HD12 ILE 93 2HD1 ILE 93 6.114 2.704 3.999 673 HD13 ILE 93 3HD1 ILE 93 5.775 1.390 5.126 674 H LYS 94 H LYS 94 0.764 -1.006 2.684 675 HA LYS 94 HA LYS 94 0.247 -2.838 4.929 676 HB2 LYS 94 1HB LYS 94 -1.675 -1.782 2.876 677 HB3 LYS 94 2HB LYS 94 -1.954 -3.336 3.650 678 HG2 LYS 94 1HG LYS 94 -1.480 -0.858 5.264 679 HG3 LYS 94 2HG LYS 94 -3.081 -1.266 4.644 680 HD2 LYS 94 1HD LYS 94 -2.686 -3.563 5.737 681 HD3 LYS 94 2HD LYS 94 -1.389 -2.758 6.623 682 HE2 LYS 94 1HE LYS 94 -3.021 -1.095 7.436 683 HE3 LYS 94 2HE LYS 94 -4.303 -1.976 6.605 684 HZ1 LYS 94 1HZ LYS 94 -2.571 -3.227 8.658 685 HZ2 LYS 94 2HZ LYS 94 -4.021 -3.820 8.021 686 HZ3 LYS 94 3HZ LYS 94 -4.035 -2.467 9.036 687 H ILE 95 H ILE 95 0.568 -4.962 4.529 688 HA ILE 95 HA ILE 95 1.567 -5.664 1.862 689 HB ILE 95 HB ILE 95 1.887 -7.058 4.520 690 HG12 ILE 95 1HG1 ILE 95 4.079 -5.981 2.768 691 HG13 ILE 95 2HG1 ILE 95 3.219 -4.921 3.879 692 HG21 ILE 95 1HG2 ILE 95 3.291 -8.669 3.378 693 HG22 ILE 95 2HG2 ILE 95 1.674 -8.672 2.677 694 HG23 ILE 95 3HG2 ILE 95 2.997 -7.866 1.836 695 HD11 ILE 95 1HD1 ILE 95 5.349 -5.834 4.764 696 HD12 ILE 95 2HD1 ILE 95 3.940 -6.203 5.758 697 HD13 ILE 95 3HD1 ILE 95 4.629 -7.443 4.710 698 H PHE 96 H PHE 96 0.624 -7.183 0.608 699 HA PHE 96 HA PHE 96 -1.797 -8.482 1.673 700 HB2 PHE 96 1HB PHE 96 -1.190 -7.352 -1.048 701 HB3 PHE 96 2HB PHE 96 -2.453 -8.558 -0.824 702 HD1 PHE 96 1HD PHE 96 -1.330 -5.263 0.494 703 HD2 PHE 96 2HD PHE 96 -4.594 -7.873 -0.313 704 HE1 PHE 96 1HE PHE 96 -2.906 -3.485 1.134 705 HE2 PHE 96 2HE PHE 96 -6.175 -6.099 0.325 706 HZ PHE 96 HZ PHE 96 -5.332 -3.901 1.049 707 H GLY 97 H GLY 97 -1.838 -10.638 1.692 708 HA2 GLY 97 1HA GLY 97 -0.527 -12.231 -0.297 709 HA3 GLY 97 2HA GLY 97 0.325 -12.259 1.240 710 H ALA 98 H ALA 98 -0.601 -13.288 3.016 711 HA ALA 98 HA ALA 98 -1.941 -15.620 2.663 712 HB1 ALA 98 1HB ALA 98 -2.863 -14.959 5.120 713 HB2 ALA 98 2HB ALA 98 -1.236 -15.559 4.797 714 HB3 ALA 98 3HB ALA 98 -1.522 -13.826 4.951 715 H ASN 99 H ASN 99 -3.603 -12.757 3.998 716 HA ASN 99 HA ASN 99 -6.068 -13.711 2.695 717 HB2 ASN 99 1HB ASN 99 -6.014 -13.677 5.229 718 HB3 ASN 99 2HB ASN 99 -5.919 -11.922 5.124 719 HD21 ASN 99 1HD2 ASN 99 -7.908 -11.980 6.343 720 HD22 ASN 99 2HD2 ASN 99 -9.407 -12.201 5.513 721 H LYS 100 H LYS 100 -6.025 -12.598 0.796 722 HA LYS 100 HA LYS 100 -5.127 -10.015 0.351 723 HB2 LYS 100 1HB LYS 100 -7.115 -11.776 -1.027 724 HB3 LYS 100 2HB LYS 100 -6.951 -10.103 -1.543 725 HG2 LYS 100 1HG LYS 100 -4.756 -12.163 -1.473 726 HG3 LYS 100 2HG LYS 100 -5.588 -11.565 -2.911 727 HD2 LYS 100 1HD LYS 100 -4.781 -9.254 -2.233 728 HD3 LYS 100 2HD LYS 100 -3.730 -10.071 -1.074 729 HE2 LYS 100 1HE LYS 100 -3.754 -10.619 -4.039 730 HE3 LYS 100 2HE LYS 100 -2.628 -9.524 -3.239 731 HZ1 LYS 100 1HZ LYS 100 -1.647 -11.289 -2.072 732 HZ2 LYS 100 2HZ LYS 100 -1.820 -11.860 -3.655 733 HZ3 LYS 100 3HZ LYS 100 -2.897 -12.365 -2.451 734 H ASN 101 H ASN 101 -7.938 -11.067 1.997 735 HA ASN 101 HA ASN 101 -9.386 -8.583 1.657 736 HB2 ASN 101 1HB ASN 101 -9.899 -11.184 3.031 737 HB3 ASN 101 2HB ASN 101 -10.796 -9.766 3.567 738 HD21 ASN 101 1HD2 ASN 101 -11.130 -12.359 1.768 739 HD22 ASN 101 2HD2 ASN 101 -12.154 -11.771 0.507 740 H LYS 102 H LYS 102 -7.192 -10.022 3.927 741 HA LYS 102 HA LYS 102 -7.306 -7.566 5.534 742 HB2 LYS 102 1HB LYS 102 -6.963 -10.298 6.764 743 HB3 LYS 102 2HB LYS 102 -7.209 -8.767 7.594 744 HG2 LYS 102 1HG LYS 102 -9.477 -8.642 6.693 745 HG3 LYS 102 2HG LYS 102 -9.229 -10.180 5.862 746 HD2 LYS 102 1HD LYS 102 -8.614 -11.025 8.267 747 HD3 LYS 102 2HD LYS 102 -9.556 -9.622 8.776 748 HE2 LYS 102 1HE LYS 102 -10.718 -11.424 6.716 749 HE3 LYS 102 2HE LYS 102 -10.672 -11.992 8.385 750 HZ1 LYS 102 1HZ LYS 102 -12.500 -10.814 8.727 751 HZ2 LYS 102 2HZ LYS 102 -12.423 -10.115 7.190 752 HZ3 LYS 102 3HZ LYS 102 -11.608 -9.397 8.486 753 HA PRO 103 HA PRO 103 -2.977 -8.199 4.270 754 HB2 PRO 103 1HB PRO 103 -2.337 -5.565 4.416 755 HB3 PRO 103 2HB PRO 103 -3.128 -6.285 3.008 756 HG2 PRO 103 1HG PRO 103 -4.330 -4.733 5.269 757 HG3 PRO 103 2HG PRO 103 -4.667 -4.621 3.531 758 HD2 PRO 103 1HD PRO 103 -6.275 -5.968 5.243 759 HD3 PRO 103 2HD PRO 103 -6.051 -6.464 3.554 760 H GLU 104 H GLU 104 -0.919 -7.315 5.327 761 HA GLU 104 HA GLU 104 -1.285 -7.407 8.241 762 HB2 GLU 104 1HB GLU 104 1.124 -8.073 6.541 763 HB3 GLU 104 2HB GLU 104 1.106 -8.104 8.299 764 HG2 GLU 104 1HG GLU 104 -0.702 -9.776 6.574 765 HG3 GLU 104 2HG GLU 104 0.847 -10.327 7.210 766 H ASP 105 H ASP 105 0.094 -6.086 9.580 767 HA ASP 105 HA ASP 105 0.297 -3.404 8.584 768 HB2 ASP 105 1HB ASP 105 1.397 -4.352 11.221 769 HB3 ASP 105 2HB ASP 105 0.756 -2.765 10.805 770 H TYR 106 H TYR 106 1.901 -2.966 7.199 771 HA TYR 106 HA TYR 106 4.325 -4.249 6.924 772 HB2 TYR 106 1HB TYR 106 3.437 -2.656 5.278 773 HB3 TYR 106 2HB TYR 106 3.735 -1.328 6.394 774 HD1 TYR 106 2HD TYR 106 5.289 -3.769 4.139 775 HD2 TYR 106 1HD TYR 106 5.972 -0.483 6.754 776 HE1 TYR 106 2HE TYR 106 7.558 -3.519 3.223 777 HE2 TYR 106 1HE TYR 106 8.242 -0.223 5.845 778 HH TYR 106 HH TYR 106 9.947 -1.770 4.681 779 H GLN 107 H GLN 107 6.046 -4.428 8.184 780 HA GLN 107 HA GLN 107 6.468 -2.411 10.284 781 HB2 GLN 107 1HB GLN 107 7.080 -5.346 10.134 782 HB3 GLN 107 2HB GLN 107 7.951 -4.309 11.255 783 HG2 GLN 107 1HG GLN 107 6.108 -3.930 12.559 784 HG3 GLN 107 2HG GLN 107 4.978 -4.228 11.239 785 HE21 GLN 107 1HE2 GLN 107 3.758 -5.887 11.781 786 HE22 GLN 107 2HE2 GLN 107 4.313 -7.384 12.442 787 H GLY 108 H GLY 108 7.955 -4.117 7.619 788 HA2 GLY 108 1HA GLY 108 10.624 -3.684 7.923 789 HA3 GLY 108 2HA GLY 108 9.810 -3.544 6.372 790 H GLY 109 H GLY 109 12.016 -2.047 6.749 791 HA2 GLY 109 1HA GLY 109 11.598 0.499 7.895 792 HA3 GLY 109 2HA GLY 109 12.821 0.102 6.698 793 H ARG 110 H ARG 110 11.672 2.558 6.619 794 HA ARG 110 HA ARG 110 9.634 2.426 4.511 795 HB2 ARG 110 1HB ARG 110 10.566 4.830 6.089 796 HB3 ARG 110 2HB ARG 110 9.191 4.763 4.995 797 HG2 ARG 110 1HG ARG 110 9.242 2.872 7.282 798 HG3 ARG 110 2HG ARG 110 8.905 4.573 7.609 799 HD2 ARG 110 1HD ARG 110 6.948 4.558 6.385 800 HD3 ARG 110 2HD ARG 110 7.450 3.179 5.407 801 HE ARG 110 HE ARG 110 7.222 2.180 7.938 802 HH11 ARG 110 2HH1 ARG 110 5.108 3.884 5.759 803 HH12 ARG 110 1HH1 ARG 110 3.666 3.146 6.373 804 HH21 ARG 110 2HH2 ARG 110 5.330 1.201 8.755 805 HH22 ARG 110 1HH2 ARG 110 3.793 1.621 8.078 806 H THR 111 H THR 111 12.285 1.732 3.846 807 HA THR 111 HA THR 111 12.972 3.953 2.037 808 HB THR 111 HB THR 111 15.369 3.149 2.199 809 HG1 THR 111 1HG THR 111 14.516 1.981 4.644 810 HG21 THR 111 1HG2 THR 111 15.329 4.072 4.795 811 HG22 THR 111 2HG2 THR 111 13.834 4.719 4.118 812 HG23 THR 111 3HG2 THR 111 15.379 5.074 3.345 813 H GLY 112 H GLY 112 13.477 3.419 -0.053 814 HA2 GLY 112 1HA GLY 112 12.370 1.338 -1.350 815 HA3 GLY 112 2HA GLY 112 13.867 2.076 -1.903 816 H GLU 113 H GLU 113 15.382 1.206 0.441 817 HA GLU 113 HA GLU 113 16.147 -1.372 -0.537 818 HB2 GLU 113 1HB GLU 113 17.155 -0.400 2.085 819 HB3 GLU 113 2HB GLU 113 18.026 -1.146 0.753 820 HG2 GLU 113 1HG GLU 113 17.399 1.136 -0.438 821 HG3 GLU 113 2HG GLU 113 17.361 1.698 1.232 822 H ALA 114 H ALA 114 14.932 -0.246 2.622 823 HA ALA 114 HA ALA 114 14.656 -2.721 3.842 824 HB1 ALA 114 1HB ALA 114 14.145 -0.140 4.564 825 HB2 ALA 114 2HB ALA 114 12.523 -0.832 4.508 826 HB3 ALA 114 3HB ALA 114 13.758 -1.561 5.534 827 H ILE 115 H ILE 115 12.301 -0.939 1.869 828 HA ILE 115 HA ILE 115 10.148 -2.687 2.125 829 HB ILE 115 HB ILE 115 10.868 -1.078 -0.327 830 HG12 ILE 115 1HG1 ILE 115 8.897 -0.142 1.705 831 HG13 ILE 115 2HG1 ILE 115 10.609 0.012 2.088 832 HG21 ILE 115 1HG2 ILE 115 9.083 -2.095 -1.193 833 HG22 ILE 115 2HG2 ILE 115 8.620 -2.780 0.364 834 HG23 ILE 115 3HG2 ILE 115 8.122 -1.143 -0.062 835 HD11 ILE 115 1HD1 ILE 115 9.502 2.015 1.033 836 HD12 ILE 115 2HD1 ILE 115 10.984 1.448 0.262 837 HD13 ILE 115 3HD1 ILE 115 9.418 1.070 -0.454 838 H VAL 116 H VAL 116 12.835 -2.713 -0.183 839 HA VAL 116 HA VAL 116 11.957 -4.806 -1.812 840 HB VAL 116 HB VAL 116 14.789 -4.037 -1.093 841 HG11 VAL 116 1HG1 VAL 116 14.396 -5.249 -3.694 842 HG12 VAL 116 2HG1 VAL 116 15.559 -5.646 -2.428 843 HG13 VAL 116 3HG1 VAL 116 13.937 -6.338 -2.385 844 HG21 VAL 116 1HG2 VAL 116 13.757 -3.371 -3.743 845 HG22 VAL 116 2HG2 VAL 116 12.908 -2.557 -2.429 846 HG23 VAL 116 3HG2 VAL 116 14.655 -2.379 -2.594 847 H ASP 117 H ASP 117 13.806 -4.856 1.201 848 HA ASP 117 HA ASP 117 14.264 -7.667 1.181 849 HB2 ASP 117 1HB ASP 117 15.496 -5.790 2.504 850 HB3 ASP 117 2HB ASP 117 14.219 -6.025 3.694 851 H ALA 118 H ALA 118 11.842 -5.573 2.677 852 HA ALA 118 HA ALA 118 10.557 -7.560 4.209 853 HB1 ALA 118 1HB ALA 118 8.636 -5.638 3.449 854 HB2 ALA 118 2HB ALA 118 9.533 -5.743 4.964 855 HB3 ALA 118 3HB ALA 118 10.174 -4.793 3.624 856 H ALA 119 H ALA 119 9.847 -6.267 0.973 857 HA ALA 119 HA ALA 119 7.553 -7.747 0.437 858 HB1 ALA 119 1HB ALA 119 8.495 -5.850 -0.921 859 HB2 ALA 119 2HB ALA 119 9.620 -7.012 -1.623 860 HB3 ALA 119 3HB ALA 119 7.883 -7.218 -1.852 861 H LEU 120 H LEU 120 10.957 -8.570 -0.135 862 HA LEU 120 HA LEU 120 10.505 -11.022 -1.433 863 HB2 LEU 120 1HB LEU 120 12.836 -10.045 0.203 864 HB3 LEU 120 2HB LEU 120 12.844 -11.553 -0.708 865 HG LEU 120 HG LEU 120 12.271 -8.980 -2.116 866 HD11 LEU 120 1HD1 LEU 120 14.979 -9.467 -2.475 867 HD12 LEU 120 2HD1 LEU 120 14.728 -9.619 -0.736 868 HD13 LEU 120 3HD1 LEU 120 14.253 -8.139 -1.569 869 HD21 LEU 120 1HD2 LEU 120 11.959 -11.037 -3.343 870 HD22 LEU 120 2HD2 LEU 120 13.575 -11.585 -2.898 871 HD23 LEU 120 3HD2 LEU 120 13.377 -10.191 -3.962 872 H SER 121 H SER 121 11.514 -10.459 1.945 873 HA SER 121 HA SER 121 11.427 -12.980 2.940 874 HB2 SER 121 1HB SER 121 11.817 -10.660 4.118 875 HB3 SER 121 2HB SER 121 10.118 -10.826 4.559 876 HG SER 121 HG SER 121 12.251 -12.011 5.650 877 H ALA 122 H ALA 122 8.642 -10.850 2.442 878 HA ALA 122 HA ALA 122 6.735 -12.691 3.493 879 HB1 ALA 122 1HB ALA 122 5.060 -11.176 2.524 880 HB2 ALA 122 2HB ALA 122 6.275 -10.311 3.466 881 HB3 ALA 122 3HB ALA 122 6.349 -10.295 1.704 882 H LEU 123 H LEU 123 7.734 -11.793 0.205 883 HA LEU 123 HA LEU 123 5.969 -13.203 -1.322 884 HB2 LEU 123 1HB LEU 123 7.945 -11.775 -2.050 885 HB3 LEU 123 2HB LEU 123 8.922 -13.231 -1.881 886 HG LEU 123 HG LEU 123 8.315 -12.838 -4.206 887 HD11 LEU 123 1HD1 LEU 123 6.662 -15.179 -3.364 888 HD12 LEU 123 2HD1 LEU 123 8.402 -15.176 -3.075 889 HD13 LEU 123 3HD1 LEU 123 7.781 -15.021 -4.718 890 HD21 LEU 123 1HD2 LEU 123 5.789 -12.177 -3.077 891 HD22 LEU 123 2HD2 LEU 123 5.565 -13.518 -4.201 892 HD23 LEU 123 3HD2 LEU 123 6.325 -12.023 -4.750 893 H ARG 124 H ARG 124 9.024 -14.501 -0.017 894 HA ARG 124 HA ARG 124 8.892 -17.078 -0.921 895 HB2 ARG 124 1HB ARG 124 9.790 -16.171 1.821 896 HB3 ARG 124 2HB ARG 124 10.179 -17.722 1.089 897 HG2 ARG 124 1HG ARG 124 11.140 -16.222 -0.834 898 HG3 ARG 124 2HG ARG 124 11.210 -15.007 0.445 899 HD2 ARG 124 1HD ARG 124 13.307 -16.049 0.502 900 HD3 ARG 124 2HD ARG 124 12.408 -16.782 1.830 901 HE ARG 124 HE ARG 124 12.498 -18.795 0.739 902 HH11 ARG 124 2HH1 ARG 124 13.362 -16.248 -1.472 903 HH12 ARG 124 1HH1 ARG 124 13.866 -17.331 -2.727 904 HH21 ARG 124 2HH2 ARG 124 13.160 -20.231 -0.905 905 HH22 ARG 124 1HH2 ARG 124 13.750 -19.596 -2.404 906 H SER 125 H SER 125 7.510 -15.902 2.149 907 HA SER 125 HA SER 125 6.309 -18.294 2.933 908 HB2 SER 125 1HB SER 125 6.607 -16.106 4.263 909 HB3 SER 125 2HB SER 125 5.095 -15.597 3.512 910 HG SER 125 HG SER 125 5.133 -18.118 4.684 911 H GLY 126 H GLY 126 4.755 -15.500 1.337 912 HA2 GLY 126 1HA GLY 126 2.232 -16.342 0.958 913 HA3 GLY 126 2HA GLY 126 3.116 -15.499 -0.305 914 HA PRO 127 HA PRO 127 2.596 -20.280 -1.086 915 HB2 PRO 127 1HB PRO 127 -0.074 -20.735 -1.284 916 HB3 PRO 127 2HB PRO 127 0.828 -20.951 0.220 917 HG2 PRO 127 1HG PRO 127 -0.866 -18.644 -0.658 918 HG3 PRO 127 2HG PRO 127 -0.784 -19.432 0.929 919 HD2 PRO 127 1HD PRO 127 0.480 -17.098 0.395 920 HD3 PRO 127 2HD PRO 127 1.127 -18.294 1.535 921 H SER 128 H SER 128 1.918 -21.225 -3.123 922 HA SER 128 HA SER 128 0.500 -19.697 -5.068 923 HB2 SER 128 1HB SER 128 2.783 -18.551 -4.925 924 HB3 SER 128 2HB SER 128 3.445 -20.021 -5.641 925 HG SER 128 HG SER 128 2.751 -18.189 -7.079 926 H SER 129 H SER 129 -0.205 -20.974 -6.697 927 HA SER 129 HA SER 129 -0.308 -23.674 -6.541 928 HB2 SER 129 1HB SER 129 -1.513 -22.129 -8.188 929 HB3 SER 129 2HB SER 129 -0.097 -22.308 -9.224 930 HG SER 129 HG SER 129 -0.630 -24.720 -8.643 931 H GLY 130 H GLY 130 1.089 -25.299 -6.672 932 HA2 GLY 130 1HA GLY 130 2.810 -26.559 -7.680 933 HA3 GLY 130 2HA GLY 130 3.384 -25.100 -8.472 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -4.425 -4.649 -22.329 2 HA2 GLY 1 1HA GLY 1 -7.081 -4.818 -21.051 3 HA3 GLY 1 2HA GLY 1 -5.771 -5.891 -20.580 4 H SER 2 H SER 2 -6.595 -2.445 -20.841 5 HA SER 2 HA SER 2 -5.227 -2.006 -18.287 6 HB2 SER 2 1HB SER 2 -4.682 -0.569 -20.873 7 HB3 SER 2 2HB SER 2 -4.403 0.223 -19.323 8 HG SER 2 HG SER 2 -2.719 -1.274 -20.527 9 H SER 3 H SER 3 -5.726 0.261 -17.448 10 HA SER 3 HA SER 3 -8.338 1.246 -18.317 11 HB2 SER 3 1HB SER 3 -7.722 0.025 -15.656 12 HB3 SER 3 2HB SER 3 -8.855 1.376 -15.728 13 HG SER 3 HG SER 3 -9.464 -1.077 -16.119 14 H GLY 4 H GLY 4 -8.726 3.407 -17.844 15 HA2 GLY 4 1HA GLY 4 -7.062 4.946 -16.116 16 HA3 GLY 4 2HA GLY 4 -6.582 5.148 -17.794 17 H SER 5 H SER 5 -7.152 7.371 -17.642 18 HA SER 5 HA SER 5 -9.997 7.815 -18.127 19 HB2 SER 5 1HB SER 5 -8.408 9.021 -15.897 20 HB3 SER 5 2HB SER 5 -9.649 9.998 -16.682 21 HG SER 5 HG SER 5 -10.798 8.987 -15.181 22 H SER 6 H SER 6 -10.426 9.943 -19.097 23 HA SER 6 HA SER 6 -8.269 10.650 -20.928 24 HB2 SER 6 1HB SER 6 -10.079 11.948 -22.102 25 HB3 SER 6 2HB SER 6 -10.388 10.216 -21.982 26 HG SER 6 HG SER 6 -12.192 11.622 -21.423 27 H GLY 7 H GLY 7 -7.753 11.491 -18.358 28 HA2 GLY 7 1HA GLY 7 -7.348 14.281 -18.756 29 HA3 GLY 7 2HA GLY 7 -8.620 13.998 -17.578 30 H ALA 8 H ALA 8 -6.045 15.257 -17.160 31 HA ALA 8 HA ALA 8 -4.549 13.319 -15.576 32 HB1 ALA 8 1HB ALA 8 -3.913 16.238 -15.939 33 HB2 ALA 8 2HB ALA 8 -2.827 14.940 -15.439 34 HB3 ALA 8 3HB ALA 8 -3.432 14.995 -17.095 35 H VAL 9 H VAL 9 -4.679 13.148 -13.429 36 HA VAL 9 HA VAL 9 -6.036 15.296 -11.934 37 HB VAL 9 HB VAL 9 -6.270 12.345 -11.336 38 HG11 VAL 9 1HG1 VAL 9 -7.208 14.829 -10.018 39 HG12 VAL 9 2HG1 VAL 9 -8.309 13.450 -10.033 40 HG13 VAL 9 3HG1 VAL 9 -6.705 13.292 -9.315 41 HG21 VAL 9 1HG2 VAL 9 -8.314 14.178 -12.585 42 HG22 VAL 9 2HG2 VAL 9 -7.393 12.946 -13.448 43 HG23 VAL 9 3HG2 VAL 9 -8.535 12.474 -12.189 44 H SER 10 H SER 10 -5.375 15.604 -9.766 45 HA SER 10 HA SER 10 -2.740 15.736 -9.216 46 HB2 SER 10 1HB SER 10 -5.141 15.479 -7.474 47 HB3 SER 10 2HB SER 10 -3.562 15.298 -6.709 48 HG SER 10 HG SER 10 -4.078 17.453 -6.657 49 H GLY 11 H GLY 11 -1.225 14.509 -7.986 50 HA2 GLY 11 1HA GLY 11 -1.473 12.029 -6.882 51 HA3 GLY 11 2HA GLY 11 -1.321 11.700 -8.602 52 H LEU 12 H LEU 12 0.410 11.563 -5.953 53 HA LEU 12 HA LEU 12 2.745 13.065 -6.554 54 HB2 LEU 12 1HB LEU 12 2.327 10.652 -4.798 55 HB3 LEU 12 2HB LEU 12 3.827 11.575 -4.876 56 HG LEU 12 HG LEU 12 1.163 12.657 -3.956 57 HD11 LEU 12 1HD1 LEU 12 3.531 12.254 -2.187 58 HD12 LEU 12 2HD1 LEU 12 2.462 10.895 -2.536 59 HD13 LEU 12 3HD1 LEU 12 1.818 12.350 -1.775 60 HD21 LEU 12 1HD2 LEU 12 3.923 13.850 -4.109 61 HD22 LEU 12 2HD2 LEU 12 2.631 14.523 -3.115 62 HD23 LEU 12 3HD2 LEU 12 2.442 14.435 -4.867 63 H TYR 13 H TYR 13 1.733 9.750 -7.215 64 HA TYR 13 HA TYR 13 4.234 9.251 -8.651 65 HB2 TYR 13 1HB TYR 13 1.978 7.326 -8.063 66 HB3 TYR 13 2HB TYR 13 3.577 6.918 -8.676 67 HD1 TYR 13 2HD TYR 13 1.955 8.573 -5.747 68 HD2 TYR 13 1HD TYR 13 5.199 6.222 -7.180 69 HE1 TYR 13 2HE TYR 13 2.761 8.289 -3.440 70 HE2 TYR 13 1HE TYR 13 6.013 5.931 -4.877 71 HH TYR 13 HH TYR 13 5.747 6.503 -2.744 72 H SER 14 H SER 14 3.654 7.599 -10.615 73 HA SER 14 HA SER 14 1.383 8.391 -12.176 74 HB2 SER 14 1HB SER 14 4.092 9.544 -12.745 75 HB3 SER 14 2HB SER 14 3.000 9.190 -14.083 76 HG SER 14 HG SER 14 1.943 10.582 -11.917 77 H SER 15 H SER 15 1.968 7.623 -14.631 78 HA SER 15 HA SER 15 2.229 4.806 -14.420 79 HB2 SER 15 1HB SER 15 1.860 4.748 -16.778 80 HB3 SER 15 2HB SER 15 0.877 6.073 -16.154 81 HG SER 15 HG SER 15 3.225 6.156 -17.686 82 H SER 16 H SER 16 4.380 7.369 -15.553 83 HA SER 16 HA SER 16 6.403 5.975 -16.733 84 HB2 SER 16 1HB SER 16 6.373 8.434 -15.027 85 HB3 SER 16 2HB SER 16 7.926 7.751 -15.509 86 HG SER 16 HG SER 16 5.993 9.023 -17.029 87 H ASP 17 H ASP 17 6.071 6.574 -13.241 88 HA ASP 17 HA ASP 17 8.350 5.127 -12.455 89 HB2 ASP 17 1HB ASP 17 6.902 4.924 -10.246 90 HB3 ASP 17 2HB ASP 17 7.592 6.465 -10.747 91 H ASP 18 H ASP 18 8.399 3.085 -11.265 92 HA ASP 18 HA ASP 18 7.042 1.026 -12.717 93 HB2 ASP 18 1HB ASP 18 8.770 0.802 -10.243 94 HB3 ASP 18 2HB ASP 18 8.303 -0.522 -11.306 95 H VAL 19 H VAL 19 6.167 2.923 -10.109 96 HA VAL 19 HA VAL 19 4.725 0.990 -8.570 97 HB VAL 19 HB VAL 19 4.558 4.004 -8.636 98 HG11 VAL 19 1HG1 VAL 19 2.703 2.154 -7.559 99 HG12 VAL 19 2HG1 VAL 19 3.557 2.907 -6.210 100 HG13 VAL 19 3HG1 VAL 19 2.721 3.910 -7.397 101 HG21 VAL 19 1HG2 VAL 19 6.540 3.715 -7.602 102 HG22 VAL 19 2HG2 VAL 19 5.532 3.336 -6.204 103 HG23 VAL 19 3HG2 VAL 19 6.200 2.034 -7.189 104 H ILE 20 H ILE 20 2.702 0.260 -8.815 105 HA ILE 20 HA ILE 20 1.220 1.067 -11.174 106 HB ILE 20 HB ILE 20 0.702 -1.090 -9.127 107 HG12 ILE 20 1HG1 ILE 20 1.354 -1.440 -12.045 108 HG13 ILE 20 2HG1 ILE 20 2.625 -1.262 -10.841 109 HG21 ILE 20 1HG2 ILE 20 -1.105 -1.855 -10.534 110 HG22 ILE 20 2HG2 ILE 20 -1.395 -0.182 -10.061 111 HG23 ILE 20 3HG2 ILE 20 -0.805 -0.551 -11.682 112 HD11 ILE 20 1HD1 ILE 20 2.283 -3.585 -11.267 113 HD12 ILE 20 2HD1 ILE 20 1.683 -3.222 -9.649 114 HD13 ILE 20 3HD1 ILE 20 0.549 -3.432 -10.983 115 H GLU 21 H GLU 21 -0.286 2.588 -11.147 116 HA GLU 21 HA GLU 21 -1.159 3.855 -8.774 117 HB2 GLU 21 1HB GLU 21 -1.061 4.708 -11.257 118 HB3 GLU 21 2HB GLU 21 -2.698 4.071 -11.331 119 HG2 GLU 21 1HG GLU 21 -3.492 5.585 -9.753 120 HG3 GLU 21 2HG GLU 21 -1.874 5.958 -9.161 121 H LEU 22 H LEU 22 -2.222 2.566 -7.351 122 HA LEU 22 HA LEU 22 -4.348 0.810 -8.230 123 HB2 LEU 22 1HB LEU 22 -3.129 1.441 -5.559 124 HB3 LEU 22 2HB LEU 22 -4.577 0.446 -5.710 125 HG LEU 22 HG LEU 22 -1.862 -0.183 -6.870 126 HD11 LEU 22 1HD1 LEU 22 -2.784 -0.477 -4.266 127 HD12 LEU 22 2HD1 LEU 22 -1.396 -1.282 -4.997 128 HD13 LEU 22 3HD1 LEU 22 -2.972 -2.073 -4.991 129 HD21 LEU 22 1HD2 LEU 22 -3.305 -2.478 -6.965 130 HD22 LEU 22 2HD2 LEU 22 -3.089 -1.375 -8.324 131 HD23 LEU 22 3HD2 LEU 22 -4.546 -1.279 -7.333 132 H THR 23 H THR 23 -6.473 1.214 -8.163 133 HA THR 23 HA THR 23 -7.411 3.584 -6.695 134 HB THR 23 HB THR 23 -8.458 4.533 -8.472 135 HG1 THR 23 1HG THR 23 -9.919 3.163 -9.213 136 HG21 THR 23 1HG2 THR 23 -6.772 2.955 -10.341 137 HG22 THR 23 2HG2 THR 23 -5.954 3.856 -9.064 138 HG23 THR 23 3HG2 THR 23 -6.991 4.700 -10.214 139 HA PRO 24 HA PRO 24 -10.720 1.121 -5.200 140 HB2 PRO 24 1HB PRO 24 -12.824 2.836 -5.262 141 HB3 PRO 24 2HB PRO 24 -11.498 2.984 -4.103 142 HG2 PRO 24 1HG PRO 24 -11.948 4.466 -6.664 143 HG3 PRO 24 2HG PRO 24 -11.406 5.085 -5.093 144 HD2 PRO 24 1HD PRO 24 -9.695 4.587 -7.132 145 HD3 PRO 24 2HD PRO 24 -9.233 4.393 -5.429 146 H SER 25 H SER 25 -10.312 1.447 -8.289 147 HA SER 25 HA SER 25 -12.951 0.357 -9.024 148 HB2 SER 25 1HB SER 25 -11.161 2.278 -10.466 149 HB3 SER 25 2HB SER 25 -12.191 1.194 -11.401 150 HG SER 25 HG SER 25 -12.914 3.247 -9.623 151 H ASN 26 H ASN 26 -9.530 -0.026 -9.041 152 HA ASN 26 HA ASN 26 -9.841 -2.573 -10.486 153 HB2 ASN 26 1HB ASN 26 -7.278 -2.071 -11.014 154 HB3 ASN 26 2HB ASN 26 -8.573 -1.476 -12.049 155 HD21 ASN 26 1HD2 ASN 26 -5.953 -0.657 -10.069 156 HD22 ASN 26 2HD2 ASN 26 -6.133 1.061 -10.128 157 H PHE 27 H PHE 27 -8.668 -0.882 -7.747 158 HA PHE 27 HA PHE 27 -6.608 -2.207 -6.687 159 HB2 PHE 27 1HB PHE 27 -7.984 -0.489 -5.505 160 HB3 PHE 27 2HB PHE 27 -9.165 -1.743 -5.140 161 HD1 PHE 27 1HD PHE 27 -8.091 -3.904 -4.003 162 HD2 PHE 27 2HD PHE 27 -6.452 0.022 -3.884 163 HE1 PHE 27 1HE PHE 27 -6.840 -4.491 -1.967 164 HE2 PHE 27 2HE PHE 27 -5.198 -0.559 -1.849 165 HZ PHE 27 HZ PHE 27 -5.390 -2.818 -0.888 166 H ASN 28 H ASN 28 -9.797 -3.557 -7.183 167 HA ASN 28 HA ASN 28 -9.203 -5.993 -5.750 168 HB2 ASN 28 1HB ASN 28 -11.507 -4.976 -5.916 169 HB3 ASN 28 2HB ASN 28 -11.526 -5.463 -7.609 170 HD21 ASN 28 1HD2 ASN 28 -11.476 -7.699 -8.109 171 HD22 ASN 28 2HD2 ASN 28 -12.030 -8.870 -6.966 172 H ARG 29 H ARG 29 -9.535 -4.985 -9.129 173 HA ARG 29 HA ARG 29 -8.949 -7.609 -10.148 174 HB2 ARG 29 1HB ARG 29 -9.392 -4.906 -11.362 175 HB3 ARG 29 2HB ARG 29 -8.683 -6.188 -12.334 176 HG2 ARG 29 1HG ARG 29 -11.275 -6.526 -10.855 177 HG3 ARG 29 2HG ARG 29 -11.184 -5.893 -12.500 178 HD2 ARG 29 1HD ARG 29 -9.788 -8.446 -11.870 179 HD3 ARG 29 2HD ARG 29 -11.544 -8.463 -12.032 180 HE ARG 29 HE ARG 29 -10.166 -7.165 -14.204 181 HH11 ARG 29 2HH1 ARG 29 -11.384 -10.177 -12.951 182 HH12 ARG 29 1HH1 ARG 29 -11.502 -10.927 -14.508 183 HH21 ARG 29 2HH2 ARG 29 -10.317 -8.143 -16.260 184 HH22 ARG 29 1HH2 ARG 29 -10.893 -9.770 -16.390 185 H GLU 30 H GLU 30 -7.078 -5.252 -8.761 186 HA GLU 30 HA GLU 30 -4.708 -5.940 -10.360 187 HB2 GLU 30 1HB GLU 30 -5.486 -3.552 -8.759 188 HB3 GLU 30 2HB GLU 30 -3.778 -3.963 -8.841 189 HG2 GLU 30 1HG GLU 30 -5.458 -3.692 -11.308 190 HG3 GLU 30 2HG GLU 30 -4.685 -2.304 -10.546 191 H VAL 31 H VAL 31 -5.755 -5.486 -6.990 192 HA VAL 31 HA VAL 31 -3.473 -7.087 -6.087 193 HB VAL 31 HB VAL 31 -5.466 -5.507 -4.455 194 HG11 VAL 31 1HG1 VAL 31 -4.621 -7.216 -3.072 195 HG12 VAL 31 2HG1 VAL 31 -2.989 -7.045 -3.721 196 HG13 VAL 31 3HG1 VAL 31 -3.665 -5.786 -2.687 197 HG21 VAL 31 1HG2 VAL 31 -3.856 -4.253 -6.013 198 HG22 VAL 31 2HG2 VAL 31 -3.907 -3.773 -4.317 199 HG23 VAL 31 3HG2 VAL 31 -2.590 -4.785 -4.908 200 H ILE 32 H ILE 32 -6.908 -6.820 -5.153 201 HA ILE 32 HA ILE 32 -7.175 -9.230 -3.866 202 HB ILE 32 HB ILE 32 -9.284 -7.971 -5.623 203 HG12 ILE 32 1HG1 ILE 32 -8.332 -6.365 -4.010 204 HG13 ILE 32 2HG1 ILE 32 -9.999 -6.770 -3.618 205 HG21 ILE 32 1HG2 ILE 32 -10.014 -9.369 -3.138 206 HG22 ILE 32 2HG2 ILE 32 -10.804 -9.362 -4.714 207 HG23 ILE 32 3HG2 ILE 32 -9.399 -10.391 -4.436 208 HD11 ILE 32 1HD1 ILE 32 -8.363 -6.636 -1.695 209 HD12 ILE 32 2HD1 ILE 32 -9.356 -8.091 -1.791 210 HD13 ILE 32 3HD1 ILE 32 -7.672 -8.136 -2.313 211 H GLN 33 H GLN 33 -7.176 -8.600 -7.316 212 HA GLN 33 HA GLN 33 -7.765 -11.404 -7.891 213 HB2 GLN 33 1HB GLN 33 -7.575 -8.945 -9.621 214 HB3 GLN 33 2HB GLN 33 -7.685 -10.563 -10.301 215 HG2 GLN 33 1HG GLN 33 -9.733 -8.943 -8.910 216 HG3 GLN 33 2HG GLN 33 -9.880 -10.001 -10.313 217 HE21 GLN 33 1HE2 GLN 33 -9.974 -9.775 -6.871 218 HE22 GLN 33 2HE2 GLN 33 -10.550 -11.375 -6.567 219 H SER 34 H SER 34 -5.246 -10.585 -6.651 220 HA SER 34 HA SER 34 -3.373 -11.388 -8.780 221 HB2 SER 34 1HB SER 34 -2.995 -9.103 -7.816 222 HB3 SER 34 2HB SER 34 -2.693 -9.866 -6.255 223 HG SER 34 HG SER 34 -1.052 -11.128 -7.503 224 H ASP 35 H ASP 35 -2.568 -13.360 -8.588 225 HA ASP 35 HA ASP 35 -2.912 -14.843 -6.123 226 HB2 ASP 35 1HB ASP 35 -3.191 -15.658 -8.623 227 HB3 ASP 35 2HB ASP 35 -1.463 -15.966 -8.482 228 H GLY 36 H GLY 36 -0.974 -12.593 -6.297 229 HA2 GLY 36 1HA GLY 36 1.383 -14.108 -5.379 230 HA3 GLY 36 2HA GLY 36 1.574 -12.748 -6.477 231 H LEU 37 H LEU 37 2.800 -11.511 -5.081 232 HA LEU 37 HA LEU 37 1.519 -10.706 -2.560 233 HB2 LEU 37 1HB LEU 37 3.955 -11.661 -2.785 234 HB3 LEU 37 2HB LEU 37 4.334 -10.004 -3.250 235 HG LEU 37 HG LEU 37 3.213 -9.336 -1.038 236 HD11 LEU 37 1HD1 LEU 37 3.307 -12.291 -0.810 237 HD12 LEU 37 2HD1 LEU 37 2.138 -11.139 -0.165 238 HD13 LEU 37 3HD1 LEU 37 3.704 -11.341 0.622 239 HD21 LEU 37 1HD2 LEU 37 5.423 -10.362 0.144 240 HD22 LEU 37 2HD2 LEU 37 5.414 -8.915 -0.864 241 HD23 LEU 37 3HD2 LEU 37 5.873 -10.471 -1.558 242 H TRP 38 H TRP 38 0.895 -8.651 -2.225 243 HA TRP 38 HA TRP 38 1.639 -6.640 -4.244 244 HB2 TRP 38 1HB TRP 38 -1.029 -7.525 -3.356 245 HB3 TRP 38 2HB TRP 38 -0.811 -5.778 -3.419 246 HD1 TRP 38 HD TRP 38 -1.103 -8.841 -5.650 247 HE1 TRP 38 1HE TRP 38 -1.325 -8.077 -8.097 248 HE3 TRP 38 3HE TRP 38 -0.118 -3.863 -5.037 249 HZ2 TRP 38 2HZ TRP 38 -1.111 -5.680 -9.573 250 HZ3 TRP 38 3HZ TRP 38 -0.146 -2.403 -7.018 251 HH2 TRP 38 HH TRP 38 -0.631 -3.295 -9.238 252 H LEU 39 H LEU 39 2.275 -4.696 -3.489 253 HA LEU 39 HA LEU 39 2.096 -4.259 -0.581 254 HB2 LEU 39 1HB LEU 39 4.297 -3.900 -2.524 255 HB3 LEU 39 2HB LEU 39 4.140 -2.672 -1.270 256 HG LEU 39 HG LEU 39 4.407 -5.623 -0.709 257 HD11 LEU 39 1HD1 LEU 39 6.663 -3.898 -0.050 258 HD12 LEU 39 2HD1 LEU 39 6.369 -4.038 -1.783 259 HD13 LEU 39 3HD1 LEU 39 6.632 -5.488 -0.814 260 HD21 LEU 39 1HD2 LEU 39 3.482 -4.715 1.192 261 HD22 LEU 39 2HD2 LEU 39 4.256 -3.148 0.953 262 HD23 LEU 39 3HD2 LEU 39 5.204 -4.522 1.521 263 H VAL 40 H VAL 40 0.372 -2.932 -0.380 264 HA VAL 40 HA VAL 40 0.191 -0.584 -2.131 265 HB VAL 40 HB VAL 40 -1.876 -1.570 -0.164 266 HG11 VAL 40 1HG1 VAL 40 -1.682 0.688 -2.027 267 HG12 VAL 40 2HG1 VAL 40 -3.191 -0.221 -2.124 268 HG13 VAL 40 3HG1 VAL 40 -2.681 0.483 -0.589 269 HG21 VAL 40 1HG2 VAL 40 -2.886 -2.130 -2.629 270 HG22 VAL 40 2HG2 VAL 40 -1.178 -2.507 -2.854 271 HG23 VAL 40 3HG2 VAL 40 -2.096 -3.304 -1.576 272 H GLU 41 H GLU 41 0.737 1.365 -1.412 273 HA GLU 41 HA GLU 41 0.978 1.760 1.499 274 HB2 GLU 41 1HB GLU 41 3.170 1.943 0.806 275 HB3 GLU 41 2HB GLU 41 2.730 2.584 -0.770 276 HG2 GLU 41 1HG GLU 41 2.031 4.329 1.469 277 HG3 GLU 41 2HG GLU 41 3.759 4.034 1.285 278 H PHE 42 H PHE 42 -0.494 3.097 2.286 279 HA PHE 42 HA PHE 42 -1.946 4.894 0.545 280 HB2 PHE 42 1HB PHE 42 -2.204 4.401 3.519 281 HB3 PHE 42 2HB PHE 42 -3.310 5.365 2.546 282 HD1 PHE 42 1HD PHE 42 -2.037 1.954 3.132 283 HD2 PHE 42 2HD PHE 42 -5.012 4.354 1.260 284 HE1 PHE 42 1HE PHE 42 -3.347 -0.068 2.631 285 HE2 PHE 42 2HE PHE 42 -6.328 2.336 0.756 286 HZ PHE 42 HZ PHE 42 -5.496 0.122 1.442 287 H TYR 43 H TYR 43 -0.813 6.661 -0.026 288 HA TYR 43 HA TYR 43 0.561 8.174 2.090 289 HB2 TYR 43 1HB TYR 43 1.958 9.121 0.417 290 HB3 TYR 43 2HB TYR 43 1.864 7.401 0.054 291 HD1 TYR 43 1HD TYR 43 0.547 10.726 -0.927 292 HD2 TYR 43 2HD TYR 43 1.046 6.646 -2.026 293 HE1 TYR 43 1HE TYR 43 -0.196 11.257 -3.210 294 HE2 TYR 43 2HE TYR 43 0.306 7.166 -4.313 295 HH TYR 43 HH TYR 43 -1.333 9.309 -5.273 296 H ALA 44 H ALA 44 0.661 10.642 1.369 297 HA ALA 44 HA ALA 44 -1.995 11.519 0.485 298 HB1 ALA 44 1HB ALA 44 -2.421 11.714 2.726 299 HB2 ALA 44 2HB ALA 44 -0.735 12.037 3.132 300 HB3 ALA 44 3HB ALA 44 -1.722 13.300 2.397 301 HA PRO 45 HA PRO 45 0.693 14.160 -1.899 302 HB2 PRO 45 1HB PRO 45 -1.295 15.430 -3.242 303 HB3 PRO 45 2HB PRO 45 -0.754 13.796 -3.646 304 HG2 PRO 45 1HG PRO 45 -3.124 14.664 -2.035 305 HG3 PRO 45 2HG PRO 45 -3.013 13.395 -3.268 306 HD2 PRO 45 1HD PRO 45 -2.974 12.856 -0.615 307 HD3 PRO 45 2HD PRO 45 -2.090 11.875 -1.801 308 H TRP 46 H TRP 46 -1.079 14.912 0.736 309 HA TRP 46 HA TRP 46 -0.535 17.797 0.474 310 HB2 TRP 46 1HB TRP 46 -2.365 18.129 2.148 311 HB3 TRP 46 2HB TRP 46 -2.916 17.466 0.612 312 HD1 TRP 46 HD TRP 46 -4.389 15.370 0.764 313 HE1 TRP 46 1HE TRP 46 -4.968 13.663 2.601 314 HE3 TRP 46 3HE TRP 46 -1.149 16.949 4.390 315 HZ2 TRP 46 2HZ TRP 46 -4.158 13.065 5.239 316 HZ3 TRP 46 3HZ TRP 46 -1.114 15.756 6.541 317 HH2 TRP 46 HH TRP 46 -2.588 13.855 6.955 318 H CYS 47 H CYS 47 0.191 14.934 2.115 319 HA CYS 47 HA CYS 47 1.023 16.232 4.576 320 HB2 CYS 47 1HB CYS 47 0.097 13.731 4.080 321 HB3 CYS 47 2HB CYS 47 1.831 13.435 4.071 322 HG CYS 47 HG CYS 47 2.269 14.352 6.647 323 H GLY 48 H GLY 48 3.302 15.287 5.366 324 HA2 GLY 48 1HA GLY 48 5.207 16.157 3.295 325 HA3 GLY 48 2HA GLY 48 5.481 16.245 5.029 326 H HIS 49 H HIS 49 5.354 13.983 6.117 327 HA HIS 49 HA HIS 49 7.516 12.479 5.322 328 HB2 HIS 49 1HB HIS 49 6.413 10.612 6.703 329 HB3 HIS 49 2HB HIS 49 6.759 12.134 7.520 330 HD1 HIS 49 1HD HIS 49 4.929 12.144 9.233 331 HD2 HIS 49 2HD HIS 49 3.510 11.451 5.390 332 HE1 HIS 49 1HE HIS 49 2.422 12.222 9.418 333 HE2 HIS 49 2HE HIS 49 1.584 11.716 7.097 334 H CYS 50 H CYS 50 4.408 12.561 3.932 335 HA CYS 50 HA CYS 50 4.572 9.924 2.742 336 HB2 CYS 50 1HB CYS 50 2.561 12.116 2.819 337 HB3 CYS 50 2HB CYS 50 2.513 11.024 1.439 338 HG CYS 50 HG CYS 50 2.306 10.028 4.708 339 H GLN 51 H GLN 51 4.689 13.299 1.637 340 HA GLN 51 HA GLN 51 5.129 12.711 -1.085 341 HB2 GLN 51 1HB GLN 51 5.943 15.174 0.466 342 HB3 GLN 51 2HB GLN 51 5.831 15.050 -1.284 343 HG2 GLN 51 1HG GLN 51 3.463 14.779 -1.185 344 HG3 GLN 51 2HG GLN 51 3.502 14.648 0.573 345 HE21 GLN 51 1HE2 GLN 51 1.827 16.395 0.093 346 HE22 GLN 51 2HE2 GLN 51 2.407 18.022 0.108 347 H ARG 52 H ARG 52 7.182 12.564 1.647 348 HA ARG 52 HA ARG 52 9.623 12.728 0.062 349 HB2 ARG 52 1HB ARG 52 10.784 12.498 2.219 350 HB3 ARG 52 2HB ARG 52 9.622 13.818 2.240 351 HG2 ARG 52 1HG ARG 52 9.134 12.872 4.241 352 HG3 ARG 52 2HG ARG 52 8.048 11.929 3.219 353 HD2 ARG 52 1HD ARG 52 9.122 10.328 4.536 354 HD3 ARG 52 2HD ARG 52 9.992 10.277 3.003 355 HE ARG 52 HE ARG 52 11.471 12.007 4.403 356 HH11 ARG 52 2HH1 ARG 52 10.167 8.888 5.237 357 HH12 ARG 52 1HH1 ARG 52 11.454 8.497 6.330 358 HH21 ARG 52 2HH2 ARG 52 13.171 11.504 5.839 359 HH22 ARG 52 1HH2 ARG 52 13.161 9.986 6.672 360 H LEU 53 H LEU 53 7.374 10.422 0.691 361 HA LEU 53 HA LEU 53 9.312 8.224 0.851 362 HB2 LEU 53 1HB LEU 53 7.447 8.267 2.473 363 HB3 LEU 53 2HB LEU 53 6.311 8.154 1.131 364 HG LEU 53 HG LEU 53 7.193 5.935 0.577 365 HD11 LEU 53 1HD1 LEU 53 9.357 6.747 2.183 366 HD12 LEU 53 2HD1 LEU 53 9.149 5.219 1.329 367 HD13 LEU 53 3HD1 LEU 53 8.603 5.377 2.998 368 HD21 LEU 53 1HD2 LEU 53 6.398 6.209 3.474 369 HD22 LEU 53 2HD2 LEU 53 6.281 4.747 2.495 370 HD23 LEU 53 3HD2 LEU 53 5.289 6.152 2.104 371 H THR 54 H THR 54 7.972 10.001 -1.479 372 HA THR 54 HA THR 54 6.832 8.131 -3.257 373 HB THR 54 HB THR 54 8.299 10.427 -4.425 374 HG1 THR 54 1HG THR 54 7.603 11.558 -2.702 375 HG21 THR 54 1HG2 THR 54 6.144 8.744 -5.109 376 HG22 THR 54 2HG2 THR 54 6.792 10.100 -6.033 377 HG23 THR 54 3HG2 THR 54 5.472 10.360 -4.893 378 HA PRO 55 HA PRO 55 11.255 7.958 -5.242 379 HB2 PRO 55 1HB PRO 55 13.309 8.821 -3.690 380 HB3 PRO 55 2HB PRO 55 12.427 9.883 -4.794 381 HG2 PRO 55 1HG PRO 55 12.112 9.543 -1.837 382 HG3 PRO 55 2HG PRO 55 12.125 11.034 -2.796 383 HD2 PRO 55 1HD PRO 55 9.835 9.889 -1.917 384 HD3 PRO 55 2HD PRO 55 9.928 10.785 -3.446 385 H GLU 56 H GLU 56 10.822 7.428 -1.801 386 HA GLU 56 HA GLU 56 12.714 5.260 -1.674 387 HB2 GLU 56 1HB GLU 56 10.635 6.248 0.283 388 HB3 GLU 56 2HB GLU 56 11.749 4.930 0.619 389 HG2 GLU 56 1HG GLU 56 13.632 6.396 0.462 390 HG3 GLU 56 2HG GLU 56 12.612 7.721 -0.095 391 H TRP 57 H TRP 57 9.258 5.631 -2.094 392 HA TRP 57 HA TRP 57 8.687 2.831 -1.770 393 HB2 TRP 57 1HB TRP 57 7.065 4.731 -1.311 394 HB3 TRP 57 2HB TRP 57 6.910 4.905 -3.057 395 HD1 TRP 57 HD TRP 57 4.739 3.820 -3.835 396 HE1 TRP 57 1HE TRP 57 3.415 1.692 -3.248 397 HE3 TRP 57 3HE TRP 57 7.724 2.012 -0.100 398 HZ2 TRP 57 2HZ TRP 57 3.610 -0.467 -1.440 399 HZ3 TRP 57 3HZ TRP 57 7.085 -0.090 1.008 400 HH2 TRP 57 HH TRP 57 5.070 -1.302 0.351 401 H LYS 58 H LYS 58 9.060 5.065 -4.486 402 HA LYS 58 HA LYS 58 8.300 3.368 -6.558 403 HB2 LYS 58 1HB LYS 58 10.086 5.749 -6.349 404 HB3 LYS 58 2HB LYS 58 10.126 4.807 -7.833 405 HG2 LYS 58 1HG LYS 58 7.779 5.179 -8.195 406 HG3 LYS 58 2HG LYS 58 7.631 5.990 -6.634 407 HD2 LYS 58 1HD LYS 58 9.425 7.601 -7.556 408 HD3 LYS 58 2HD LYS 58 8.992 6.936 -9.133 409 HE2 LYS 58 1HE LYS 58 6.703 7.630 -8.848 410 HE3 LYS 58 2HE LYS 58 7.027 8.153 -7.196 411 HZ1 LYS 58 1HZ LYS 58 7.743 9.438 -9.726 412 HZ2 LYS 58 2HZ LYS 58 8.793 9.635 -8.415 413 HZ3 LYS 58 3HZ LYS 58 7.179 10.128 -8.288 414 H LYS 59 H LYS 59 11.526 3.888 -5.155 415 HA LYS 59 HA LYS 59 13.060 2.282 -6.752 416 HB2 LYS 59 1HB LYS 59 13.165 2.959 -3.844 417 HB3 LYS 59 2HB LYS 59 14.261 1.730 -4.461 418 HG2 LYS 59 1HG LYS 59 15.068 3.371 -6.139 419 HG3 LYS 59 2HG LYS 59 14.059 4.594 -5.365 420 HD2 LYS 59 1HD LYS 59 16.004 3.021 -3.728 421 HD3 LYS 59 2HD LYS 59 16.577 4.370 -4.712 422 HE2 LYS 59 1HE LYS 59 14.856 5.803 -3.600 423 HE3 LYS 59 2HE LYS 59 14.506 4.451 -2.523 424 HZ1 LYS 59 1HZ LYS 59 16.939 6.104 -2.689 425 HZ2 LYS 59 2HZ LYS 59 17.025 4.535 -2.063 426 HZ3 LYS 59 3HZ LYS 59 16.024 5.684 -1.328 427 H ALA 60 H ALA 60 11.447 1.192 -3.759 428 HA ALA 60 HA ALA 60 12.036 -1.505 -3.955 429 HB1 ALA 60 1HB ALA 60 10.552 -1.830 -2.249 430 HB2 ALA 60 2HB ALA 60 10.786 -0.086 -2.118 431 HB3 ALA 60 3HB ALA 60 9.356 -0.725 -2.929 432 H ALA 61 H ALA 61 9.505 0.347 -5.539 433 HA ALA 61 HA ALA 61 8.033 -1.863 -6.532 434 HB1 ALA 61 1HB ALA 61 6.679 -0.328 -7.500 435 HB2 ALA 61 2HB ALA 61 7.519 0.755 -6.389 436 HB3 ALA 61 3HB ALA 61 8.023 0.658 -8.077 437 H THR 62 H THR 62 10.670 0.085 -7.854 438 HA THR 62 HA THR 62 10.669 -1.005 -10.447 439 HB THR 62 HB THR 62 13.044 0.089 -8.930 440 HG1 THR 62 1HG THR 62 12.165 1.987 -9.222 441 HG21 THR 62 1HG2 THR 62 14.053 0.470 -11.046 442 HG22 THR 62 2HG2 THR 62 12.566 0.066 -11.905 443 HG23 THR 62 3HG2 THR 62 13.473 -1.194 -11.068 444 H ALA 63 H ALA 63 12.251 -2.014 -7.463 445 HA ALA 63 HA ALA 63 13.733 -4.128 -8.740 446 HB1 ALA 63 1HB ALA 63 13.328 -4.150 -5.806 447 HB2 ALA 63 2HB ALA 63 14.795 -4.402 -6.753 448 HB3 ALA 63 3HB ALA 63 14.183 -2.768 -6.494 449 H LEU 64 H LEU 64 10.911 -3.936 -6.588 450 HA LEU 64 HA LEU 64 10.432 -6.785 -6.839 451 HB2 LEU 64 1HB LEU 64 8.633 -4.766 -5.531 452 HB3 LEU 64 2HB LEU 64 8.718 -6.501 -5.236 453 HG LEU 64 HG LEU 64 11.000 -4.659 -4.575 454 HD11 LEU 64 1HD1 LEU 64 10.007 -4.982 -2.185 455 HD12 LEU 64 2HD1 LEU 64 8.489 -5.197 -3.057 456 HD13 LEU 64 3HD1 LEU 64 9.402 -3.698 -3.231 457 HD21 LEU 64 1HD2 LEU 64 10.187 -7.426 -3.703 458 HD22 LEU 64 2HD2 LEU 64 11.482 -6.495 -2.950 459 HD23 LEU 64 3HD2 LEU 64 11.606 -6.969 -4.645 460 H LYS 65 H LYS 65 10.038 -4.457 -8.953 461 HA LYS 65 HA LYS 65 7.431 -4.225 -9.738 462 HB2 LYS 65 1HB LYS 65 8.896 -3.003 -11.044 463 HB3 LYS 65 2HB LYS 65 10.006 -4.352 -11.249 464 HG2 LYS 65 1HG LYS 65 8.534 -5.394 -12.833 465 HG3 LYS 65 2HG LYS 65 7.292 -4.173 -12.541 466 HD2 LYS 65 1HD LYS 65 9.984 -3.248 -13.398 467 HD3 LYS 65 2HD LYS 65 8.953 -4.022 -14.604 468 HE2 LYS 65 1HE LYS 65 7.135 -2.397 -13.760 469 HE3 LYS 65 2HE LYS 65 8.477 -1.505 -13.046 470 HZ1 LYS 65 1HZ LYS 65 9.459 -1.248 -15.205 471 HZ2 LYS 65 2HZ LYS 65 7.860 -0.703 -15.270 472 HZ3 LYS 65 3HZ LYS 65 8.267 -2.210 -15.922 473 H ASP 66 H ASP 66 9.652 -6.868 -10.595 474 HA ASP 66 HA ASP 66 7.436 -8.370 -11.758 475 HB2 ASP 66 1HB ASP 66 10.417 -8.628 -11.806 476 HB3 ASP 66 2HB ASP 66 9.430 -10.049 -12.135 477 H VAL 67 H VAL 67 9.297 -8.193 -8.871 478 HA VAL 67 HA VAL 67 8.712 -10.881 -7.995 479 HB VAL 67 HB VAL 67 9.614 -8.735 -6.118 480 HG11 VAL 67 1HG1 VAL 67 9.261 -10.899 -5.170 481 HG12 VAL 67 2HG1 VAL 67 10.203 -11.672 -6.446 482 HG13 VAL 67 3HG1 VAL 67 11.001 -10.630 -5.266 483 HG21 VAL 67 1HG2 VAL 67 11.960 -9.179 -6.856 484 HG22 VAL 67 2HG2 VAL 67 11.303 -10.009 -8.266 485 HG23 VAL 67 3HG2 VAL 67 10.986 -8.291 -8.028 486 H VAL 68 H VAL 68 7.989 -7.737 -6.474 487 HA VAL 68 HA VAL 68 5.355 -8.823 -5.711 488 HB VAL 68 HB VAL 68 7.128 -6.965 -4.121 489 HG11 VAL 68 1HG1 VAL 68 4.932 -6.201 -3.751 490 HG12 VAL 68 2HG1 VAL 68 4.283 -7.842 -3.703 491 HG13 VAL 68 3HG1 VAL 68 5.296 -7.254 -2.384 492 HG21 VAL 68 1HG2 VAL 68 6.759 -8.915 -2.437 493 HG22 VAL 68 2HG2 VAL 68 6.379 -9.850 -3.884 494 HG23 VAL 68 3HG2 VAL 68 7.959 -9.085 -3.719 495 H LYS 69 H LYS 69 3.660 -7.718 -6.429 496 HA LYS 69 HA LYS 69 3.937 -5.410 -8.037 497 HB2 LYS 69 1HB LYS 69 1.553 -6.801 -6.830 498 HB3 LYS 69 2HB LYS 69 1.384 -5.346 -7.804 499 HG2 LYS 69 1HG LYS 69 2.948 -7.601 -8.934 500 HG3 LYS 69 2HG LYS 69 1.191 -7.760 -8.851 501 HD2 LYS 69 1HD LYS 69 0.861 -5.849 -10.208 502 HD3 LYS 69 2HD LYS 69 2.549 -5.356 -10.050 503 HE2 LYS 69 1HE LYS 69 2.170 -6.319 -12.238 504 HE3 LYS 69 2HE LYS 69 3.229 -7.367 -11.295 505 HZ1 LYS 69 1HZ LYS 69 0.305 -7.800 -11.517 506 HZ2 LYS 69 2HZ LYS 69 1.462 -8.866 -10.899 507 HZ3 LYS 69 3HZ LYS 69 1.428 -8.523 -12.555 508 H VAL 70 H VAL 70 4.783 -3.645 -7.044 509 HA VAL 70 HA VAL 70 3.662 -2.748 -4.502 510 HB VAL 70 HB VAL 70 5.935 -1.564 -6.102 511 HG11 VAL 70 1HG1 VAL 70 4.510 -0.711 -3.725 512 HG12 VAL 70 2HG1 VAL 70 6.240 -0.899 -3.434 513 HG13 VAL 70 3HG1 VAL 70 5.671 0.166 -4.721 514 HG21 VAL 70 1HG2 VAL 70 7.392 -2.647 -4.436 515 HG22 VAL 70 2HG2 VAL 70 5.980 -3.448 -3.745 516 HG23 VAL 70 3HG2 VAL 70 6.484 -3.817 -5.394 517 H GLY 71 H GLY 71 1.724 -1.788 -4.836 518 HA2 GLY 71 1HA GLY 71 1.420 0.102 -7.048 519 HA3 GLY 71 2HA GLY 71 0.132 -0.509 -6.020 520 H ALA 72 H ALA 72 -0.628 1.646 -5.767 521 HA ALA 72 HA ALA 72 0.352 2.926 -3.436 522 HB1 ALA 72 1HB ALA 72 2.091 3.766 -4.865 523 HB2 ALA 72 2HB ALA 72 0.908 4.311 -6.055 524 HB3 ALA 72 3HB ALA 72 0.990 5.087 -4.474 525 H VAL 73 H VAL 73 -1.416 3.675 -2.487 526 HA VAL 73 HA VAL 73 -3.611 4.677 -4.183 527 HB VAL 73 HB VAL 73 -3.661 2.968 -1.731 528 HG11 VAL 73 1HG1 VAL 73 -5.550 5.156 -2.383 529 HG12 VAL 73 2HG1 VAL 73 -6.239 3.623 -1.844 530 HG13 VAL 73 3HG1 VAL 73 -5.089 4.484 -0.820 531 HG21 VAL 73 1HG2 VAL 73 -5.082 2.991 -4.384 532 HG22 VAL 73 2HG2 VAL 73 -3.933 1.800 -3.774 533 HG23 VAL 73 3HG2 VAL 73 -5.540 1.921 -3.059 534 H ASN 74 H ASN 74 -4.101 6.749 -3.925 535 HA ASN 74 HA ASN 74 -2.820 8.348 -1.939 536 HB2 ASN 74 1HB ASN 74 -3.272 9.295 -4.119 537 HB3 ASN 74 2HB ASN 74 -4.998 8.997 -3.935 538 HD21 ASN 74 1HD2 ASN 74 -4.885 11.363 -4.512 539 HD22 ASN 74 2HD2 ASN 74 -4.811 12.478 -3.193 540 H ALA 75 H ALA 75 -3.493 7.583 0.071 541 HA ALA 75 HA ALA 75 -5.956 6.945 1.007 542 HB1 ALA 75 1HB ALA 75 -4.736 8.629 2.971 543 HB2 ALA 75 2HB ALA 75 -4.859 6.869 2.933 544 HB3 ALA 75 3HB ALA 75 -3.495 7.675 2.158 545 H ASP 76 H ASP 76 -4.716 10.201 0.454 546 HA ASP 76 HA ASP 76 -6.822 11.626 1.649 547 HB2 ASP 76 1HB ASP 76 -4.674 12.656 1.017 548 HB3 ASP 76 2HB ASP 76 -5.079 12.447 -0.685 549 H LYS 77 H LYS 77 -6.338 10.564 -1.704 550 HA LYS 77 HA LYS 77 -8.902 11.587 -2.537 551 HB2 LYS 77 1HB LYS 77 -7.191 11.635 -4.186 552 HB3 LYS 77 2HB LYS 77 -6.773 9.950 -3.907 553 HG2 LYS 77 1HG LYS 77 -9.216 9.501 -4.690 554 HG3 LYS 77 2HG LYS 77 -9.075 11.107 -5.408 555 HD2 LYS 77 1HD LYS 77 -6.922 9.086 -5.867 556 HD3 LYS 77 2HD LYS 77 -8.423 8.989 -6.791 557 HE2 LYS 77 1HE LYS 77 -6.745 11.483 -6.597 558 HE3 LYS 77 2HE LYS 77 -6.561 10.286 -7.878 559 HZ1 LYS 77 1HZ LYS 77 -7.978 12.071 -8.609 560 HZ2 LYS 77 2HZ LYS 77 -9.010 11.858 -7.285 561 HZ3 LYS 77 3HZ LYS 77 -8.896 10.656 -8.470 562 H HIS 78 H HIS 78 -7.481 8.312 -2.453 563 HA HIS 78 HA HIS 78 -10.092 7.099 -2.651 564 HB2 HIS 78 1HB HIS 78 -7.423 5.779 -2.122 565 HB3 HIS 78 2HB HIS 78 -8.904 4.982 -2.643 566 HD1 HIS 78 1HD HIS 78 -9.709 6.888 -4.934 567 HD2 HIS 78 2HD HIS 78 -5.863 5.437 -4.331 568 HE1 HIS 78 1HE HIS 78 -8.578 7.029 -7.175 569 HE2 HIS 78 2HE HIS 78 -6.280 6.066 -6.805 570 H GLN 79 H GLN 79 -9.917 8.726 -0.395 571 HA GLN 79 HA GLN 79 -9.163 7.705 2.007 572 HB2 GLN 79 1HB GLN 79 -11.459 9.384 1.141 573 HB3 GLN 79 2HB GLN 79 -11.509 8.731 2.772 574 HG2 GLN 79 1HG GLN 79 -9.323 9.752 3.230 575 HG3 GLN 79 2HG GLN 79 -9.326 10.445 1.609 576 HE21 GLN 79 1HE2 GLN 79 -9.234 11.777 4.193 577 HE22 GLN 79 2HE2 GLN 79 -10.600 12.834 4.240 578 H SER 80 H SER 80 -11.822 6.629 0.008 579 HA SER 80 HA SER 80 -13.169 5.061 1.922 580 HB2 SER 80 1HB SER 80 -13.060 5.048 -1.081 581 HB3 SER 80 2HB SER 80 -13.932 3.783 -0.215 582 HG SER 80 HG SER 80 -15.320 5.499 -0.709 583 H LEU 81 H LEU 81 -10.604 4.272 -0.394 584 HA LEU 81 HA LEU 81 -10.468 1.520 0.159 585 HB2 LEU 81 1HB LEU 81 -8.438 3.473 -0.892 586 HB3 LEU 81 2HB LEU 81 -8.104 1.750 -0.731 587 HG LEU 81 HG LEU 81 -10.276 2.940 -2.455 588 HD11 LEU 81 1HD1 LEU 81 -8.902 2.705 -4.299 589 HD12 LEU 81 2HD1 LEU 81 -7.805 1.600 -3.472 590 HD13 LEU 81 3HD1 LEU 81 -7.790 3.318 -3.074 591 HD21 LEU 81 1HD2 LEU 81 -9.894 0.325 -1.448 592 HD22 LEU 81 2HD2 LEU 81 -9.498 0.294 -3.167 593 HD23 LEU 81 3HD2 LEU 81 -11.075 0.880 -2.634 594 H GLY 82 H GLY 82 -8.372 4.163 1.335 595 HA2 GLY 82 1HA GLY 82 -6.820 2.677 3.090 596 HA3 GLY 82 2HA GLY 82 -7.186 4.385 3.288 597 H GLY 83 H GLY 83 -9.604 4.697 4.055 598 HA2 GLY 83 1HA GLY 83 -9.759 3.826 6.685 599 HA3 GLY 83 2HA GLY 83 -11.119 4.448 5.762 600 H GLN 84 H GLN 84 -11.153 2.380 3.785 601 HA GLN 84 HA GLN 84 -12.878 0.552 4.965 602 HB2 GLN 84 1HB GLN 84 -12.906 0.890 2.585 603 HB3 GLN 84 2HB GLN 84 -11.245 0.335 2.435 604 HG2 GLN 84 1HG GLN 84 -11.872 -1.904 2.985 605 HG3 GLN 84 2HG GLN 84 -13.514 -1.397 3.378 606 HE21 GLN 84 1HE2 GLN 84 -11.179 -1.433 0.720 607 HE22 GLN 84 2HE2 GLN 84 -12.343 -1.685 -0.532 608 H TYR 85 H TYR 85 -9.489 0.690 5.111 609 HA TYR 85 HA TYR 85 -9.328 -2.126 5.954 610 HB2 TYR 85 1HB TYR 85 -7.295 -0.241 4.793 611 HB3 TYR 85 2HB TYR 85 -6.790 -1.660 5.704 612 HD1 TYR 85 1HD TYR 85 -9.159 -0.802 2.937 613 HD2 TYR 85 2HD TYR 85 -6.318 -3.561 4.493 614 HE1 TYR 85 1HE TYR 85 -9.395 -2.178 0.912 615 HE2 TYR 85 2HE TYR 85 -6.545 -4.944 2.472 616 HH TYR 85 HH TYR 85 -7.258 -4.506 0.012 617 H GLY 86 H GLY 86 -8.564 1.190 6.859 618 HA2 GLY 86 1HA GLY 86 -8.985 1.514 9.344 619 HA3 GLY 86 2HA GLY 86 -7.803 0.228 9.544 620 H VAL 87 H VAL 87 -7.419 2.577 7.015 621 HA VAL 87 HA VAL 87 -4.894 3.409 8.122 622 HB VAL 87 HB VAL 87 -6.331 4.384 5.649 623 HG11 VAL 87 1HG1 VAL 87 -4.763 5.950 5.523 624 HG12 VAL 87 2HG1 VAL 87 -4.002 5.352 6.999 625 HG13 VAL 87 3HG1 VAL 87 -3.538 4.684 5.433 626 HG21 VAL 87 1HG2 VAL 87 -5.471 1.888 5.983 627 HG22 VAL 87 2HG2 VAL 87 -5.339 2.731 4.440 628 HG23 VAL 87 3HG2 VAL 87 -3.943 2.632 5.513 629 H GLN 88 H GLN 88 -4.708 4.960 9.588 630 HA GLN 88 HA GLN 88 -6.591 7.224 9.487 631 HB2 GLN 88 1HB GLN 88 -6.610 7.349 11.865 632 HB3 GLN 88 2HB GLN 88 -6.911 5.669 11.444 633 HG2 GLN 88 1HG GLN 88 -4.637 5.081 11.967 634 HG3 GLN 88 2HG GLN 88 -4.234 6.772 12.261 635 HE21 GLN 88 1HE2 GLN 88 -6.310 4.142 13.369 636 HE22 GLN 88 2HE2 GLN 88 -6.376 4.649 15.019 637 H GLY 89 H GLY 89 -3.307 6.130 9.908 638 HA2 GLY 89 1HA GLY 89 -2.425 8.939 9.710 639 HA3 GLY 89 2HA GLY 89 -1.677 7.844 10.863 640 H PHE 90 H PHE 90 -1.332 9.209 7.891 641 HA PHE 90 HA PHE 90 0.076 6.930 6.714 642 HB2 PHE 90 1HB PHE 90 0.029 9.474 5.229 643 HB3 PHE 90 2HB PHE 90 -0.337 7.842 4.682 644 HD1 PHE 90 2HD PHE 90 -2.508 7.159 6.614 645 HD2 PHE 90 1HD PHE 90 -1.762 10.693 4.362 646 HE1 PHE 90 2HE PHE 90 -4.911 7.687 6.652 647 HE2 PHE 90 1HE PHE 90 -4.163 11.227 4.398 648 HZ PHE 90 HZ PHE 90 -5.742 9.723 5.542 649 HA PRO 91 HA PRO 91 1.468 7.223 4.658 650 HB2 PRO 91 1HB PRO 91 3.766 5.790 4.463 651 HB3 PRO 91 2HB PRO 91 3.598 7.428 3.821 652 HG2 PRO 91 1HG PRO 91 4.837 6.517 6.390 653 HG3 PRO 91 2HG PRO 91 5.419 7.731 5.235 654 HD2 PRO 91 1HD PRO 91 4.146 8.396 7.531 655 HD3 PRO 91 2HD PRO 91 4.009 9.364 6.048 656 H THR 92 H THR 92 0.735 5.126 4.438 657 HA THR 92 HA THR 92 1.165 3.304 6.708 658 HB THR 92 HB THR 92 -1.481 4.016 5.442 659 HG1 THR 92 1HG THR 92 -1.811 5.000 7.294 660 HG21 THR 92 1HG2 THR 92 -0.867 1.751 7.344 661 HG22 THR 92 2HG2 THR 92 -1.332 1.582 5.651 662 HG23 THR 92 3HG2 THR 92 -2.474 2.248 6.817 663 H ILE 93 H ILE 93 2.361 1.750 5.773 664 HA ILE 93 HA ILE 93 1.721 0.820 3.088 665 HB ILE 93 HB ILE 93 3.955 0.055 4.969 666 HG12 ILE 93 1HG1 ILE 93 4.335 1.405 2.330 667 HG13 ILE 93 2HG1 ILE 93 3.783 2.369 3.696 668 HG21 ILE 93 1HG2 ILE 93 4.912 -1.165 3.078 669 HG22 ILE 93 2HG2 ILE 93 3.347 -1.827 3.546 670 HG23 ILE 93 3HG2 ILE 93 3.479 -0.801 2.117 671 HD11 ILE 93 1HD1 ILE 93 6.076 0.658 4.289 672 HD12 ILE 93 2HD1 ILE 93 6.378 1.893 3.066 673 HD13 ILE 93 3HD1 ILE 93 5.793 2.358 4.663 674 H LYS 94 H LYS 94 0.903 -1.157 2.587 675 HA LYS 94 HA LYS 94 0.338 -3.013 4.795 676 HB2 LYS 94 1HB LYS 94 -1.586 -1.907 2.768 677 HB3 LYS 94 2HB LYS 94 -1.869 -3.473 3.517 678 HG2 LYS 94 1HG LYS 94 -1.345 -1.077 5.219 679 HG3 LYS 94 2HG LYS 94 -2.947 -1.349 4.531 680 HD2 LYS 94 1HD LYS 94 -2.824 -3.678 5.529 681 HD3 LYS 94 2HD LYS 94 -1.408 -3.116 6.421 682 HE2 LYS 94 1HE LYS 94 -2.858 -1.233 7.280 683 HE3 LYS 94 2HE LYS 94 -4.234 -2.091 6.590 684 HZ1 LYS 94 1HZ LYS 94 -2.647 -2.719 8.941 685 HZ2 LYS 94 2HZ LYS 94 -3.109 -4.040 7.992 686 HZ3 LYS 94 3HZ LYS 94 -4.285 -3.006 8.632 687 H ILE 95 H ILE 95 0.647 -5.129 4.342 688 HA ILE 95 HA ILE 95 1.640 -5.768 1.657 689 HB ILE 95 HB ILE 95 1.954 -7.237 4.276 690 HG12 ILE 95 1HG1 ILE 95 4.166 -6.131 2.574 691 HG13 ILE 95 2HG1 ILE 95 3.289 -5.075 3.676 692 HG21 ILE 95 1HG2 ILE 95 1.821 -8.911 2.607 693 HG22 ILE 95 2HG2 ILE 95 2.818 -7.978 1.492 694 HG23 ILE 95 3HG2 ILE 95 3.537 -8.679 2.942 695 HD11 ILE 95 1HD1 ILE 95 4.711 -5.707 5.248 696 HD12 ILE 95 2HD1 ILE 95 3.951 -7.299 5.202 697 HD13 ILE 95 3HD1 ILE 95 5.380 -6.974 4.220 698 H PHE 96 H PHE 96 0.667 -7.221 0.358 699 HA PHE 96 HA PHE 96 -1.737 -8.566 1.403 700 HB2 PHE 96 1HB PHE 96 -1.177 -7.309 -1.271 701 HB3 PHE 96 2HB PHE 96 -2.427 -8.535 -1.090 702 HD1 PHE 96 1HD PHE 96 -1.325 -5.238 0.209 703 HD2 PHE 96 2HD PHE 96 -4.555 -7.952 -0.356 704 HE1 PHE 96 1HE PHE 96 -2.906 -3.507 0.954 705 HE2 PHE 96 2HE PHE 96 -6.141 -6.225 0.387 706 HZ PHE 96 HZ PHE 96 -5.318 -3.998 1.043 707 H GLY 97 H GLY 97 -1.621 -10.705 1.483 708 HA2 GLY 97 1HA GLY 97 -0.259 -12.176 -0.629 709 HA3 GLY 97 2HA GLY 97 0.413 -12.352 0.985 710 H ALA 98 H ALA 98 -0.371 -13.928 2.220 711 HA ALA 98 HA ALA 98 -1.895 -15.986 1.517 712 HB1 ALA 98 1HB ALA 98 -1.932 -16.580 3.687 713 HB2 ALA 98 2HB ALA 98 -0.896 -15.167 3.888 714 HB3 ALA 98 3HB ALA 98 -2.626 -15.044 4.206 715 H ASN 99 H ASN 99 -3.443 -13.366 3.381 716 HA ASN 99 HA ASN 99 -5.957 -13.986 1.986 717 HB2 ASN 99 1HB ASN 99 -5.868 -14.199 4.503 718 HB3 ASN 99 2HB ASN 99 -5.644 -12.453 4.571 719 HD21 ASN 99 1HD2 ASN 99 -7.554 -12.117 5.671 720 HD22 ASN 99 2HD2 ASN 99 -9.101 -12.288 4.921 721 H LYS 100 H LYS 100 -6.411 -12.644 0.379 722 HA LYS 100 HA LYS 100 -5.223 -10.054 0.143 723 HB2 LYS 100 1HB LYS 100 -7.198 -11.639 -1.458 724 HB3 LYS 100 2HB LYS 100 -6.983 -9.926 -1.795 725 HG2 LYS 100 1HG LYS 100 -4.877 -12.073 -1.925 726 HG3 LYS 100 2HG LYS 100 -5.603 -11.206 -3.281 727 HD2 LYS 100 1HD LYS 100 -4.702 -9.084 -2.169 728 HD3 LYS 100 2HD LYS 100 -3.719 -10.169 -1.183 729 HE2 LYS 100 1HE LYS 100 -3.725 -10.417 -4.165 730 HE3 LYS 100 2HE LYS 100 -2.737 -9.188 -3.377 731 HZ1 LYS 100 1HZ LYS 100 -1.800 -11.052 -2.005 732 HZ2 LYS 100 2HZ LYS 100 -1.378 -11.074 -3.643 733 HZ3 LYS 100 3HZ LYS 100 -2.566 -12.128 -3.062 734 H ASN 101 H ASN 101 -7.924 -11.227 1.786 735 HA ASN 101 HA ASN 101 -9.489 -8.797 1.586 736 HB2 ASN 101 1HB ASN 101 -9.845 -11.471 2.851 737 HB3 ASN 101 2HB ASN 101 -10.747 -10.119 3.530 738 HD21 ASN 101 1HD2 ASN 101 -10.040 -11.770 0.488 739 HD22 ASN 101 2HD2 ASN 101 -11.577 -11.464 -0.239 740 H LYS 102 H LYS 102 -7.169 -10.242 3.732 741 HA LYS 102 HA LYS 102 -7.284 -7.834 5.409 742 HB2 LYS 102 1HB LYS 102 -6.785 -10.550 6.603 743 HB3 LYS 102 2HB LYS 102 -7.180 -9.048 7.428 744 HG2 LYS 102 1HG LYS 102 -9.437 -9.133 6.649 745 HG3 LYS 102 2HG LYS 102 -9.075 -10.506 5.601 746 HD2 LYS 102 1HD LYS 102 -8.289 -11.540 7.938 747 HD3 LYS 102 2HD LYS 102 -9.505 -10.406 8.531 748 HE2 LYS 102 1HE LYS 102 -10.895 -12.144 8.143 749 HE3 LYS 102 2HE LYS 102 -10.868 -11.508 6.499 750 HZ1 LYS 102 1HZ LYS 102 -10.212 -13.541 5.925 751 HZ2 LYS 102 2HZ LYS 102 -9.839 -13.985 7.514 752 HZ3 LYS 102 3HZ LYS 102 -8.705 -13.144 6.582 753 HA PRO 103 HA PRO 103 -2.984 -8.330 4.005 754 HB2 PRO 103 1HB PRO 103 -2.389 -5.691 4.242 755 HB3 PRO 103 2HB PRO 103 -3.210 -6.368 2.830 756 HG2 PRO 103 1HG PRO 103 -4.369 -4.935 5.189 757 HG3 PRO 103 2HG PRO 103 -4.762 -4.759 3.469 758 HD2 PRO 103 1HD PRO 103 -6.291 -6.207 5.171 759 HD3 PRO 103 2HD PRO 103 -6.111 -6.628 3.456 760 H GLU 104 H GLU 104 -0.911 -7.457 5.035 761 HA GLU 104 HA GLU 104 -1.187 -7.664 7.954 762 HB2 GLU 104 1HB GLU 104 1.343 -8.075 6.369 763 HB3 GLU 104 2HB GLU 104 1.014 -8.563 8.026 764 HG2 GLU 104 1HG GLU 104 -0.547 -10.233 7.275 765 HG3 GLU 104 2HG GLU 104 -0.378 -9.689 5.607 766 H ASP 105 H ASP 105 0.018 -6.297 9.319 767 HA ASP 105 HA ASP 105 0.258 -3.615 8.373 768 HB2 ASP 105 1HB ASP 105 1.246 -4.710 11.011 769 HB3 ASP 105 2HB ASP 105 0.825 -3.042 10.635 770 H TYR 106 H TYR 106 1.890 -2.997 7.120 771 HA TYR 106 HA TYR 106 4.395 -4.318 7.005 772 HB2 TYR 106 1HB TYR 106 3.542 -3.150 5.064 773 HB3 TYR 106 2HB TYR 106 3.523 -1.625 5.942 774 HD1 TYR 106 1HD TYR 106 5.717 -0.599 6.641 775 HD2 TYR 106 2HD TYR 106 5.491 -3.893 3.958 776 HE1 TYR 106 1HE TYR 106 8.005 -0.124 5.875 777 HE2 TYR 106 2HE TYR 106 7.779 -3.429 3.185 778 HH TYR 106 HH TYR 106 9.905 -2.162 4.384 779 H GLN 107 H GLN 107 5.733 -4.302 8.699 780 HA GLN 107 HA GLN 107 6.186 -1.755 10.101 781 HB2 GLN 107 1HB GLN 107 6.159 -4.592 10.992 782 HB3 GLN 107 2HB GLN 107 7.304 -3.510 11.775 783 HG2 GLN 107 1HG GLN 107 4.976 -3.836 12.818 784 HG3 GLN 107 2HG GLN 107 5.642 -2.208 12.707 785 HE21 GLN 107 1HE2 GLN 107 4.849 -0.808 11.072 786 HE22 GLN 107 2HE2 GLN 107 3.276 -1.042 10.396 787 H GLY 108 H GLY 108 7.428 -2.694 7.567 788 HA2 GLY 108 1HA GLY 108 10.192 -3.213 8.337 789 HA3 GLY 108 2HA GLY 108 9.554 -3.191 6.700 790 H GLY 109 H GLY 109 11.824 -1.977 6.807 791 HA2 GLY 109 1HA GLY 109 11.842 0.708 7.708 792 HA3 GLY 109 2HA GLY 109 12.951 0.007 6.539 793 H ARG 110 H ARG 110 11.357 2.608 6.737 794 HA ARG 110 HA ARG 110 9.629 2.492 4.423 795 HB2 ARG 110 1HB ARG 110 10.564 4.942 5.921 796 HB3 ARG 110 2HB ARG 110 9.169 4.811 4.858 797 HG2 ARG 110 1HG ARG 110 9.287 3.041 7.240 798 HG3 ARG 110 2HG ARG 110 8.926 4.752 7.478 799 HD2 ARG 110 1HD ARG 110 6.923 4.623 6.391 800 HD3 ARG 110 2HD ARG 110 7.455 3.309 5.342 801 HE ARG 110 HE ARG 110 7.358 2.182 7.816 802 HH11 ARG 110 2HH1 ARG 110 5.090 3.938 5.845 803 HH12 ARG 110 1HH1 ARG 110 3.702 3.125 6.487 804 HH21 ARG 110 2HH2 ARG 110 5.539 1.103 8.671 805 HH22 ARG 110 1HH2 ARG 110 3.958 1.513 8.096 806 H THR 111 H THR 111 12.323 1.747 3.907 807 HA THR 111 HA THR 111 13.122 3.918 2.080 808 HB THR 111 HB THR 111 15.479 2.841 2.325 809 HG1 THR 111 1HG THR 111 14.118 1.914 4.642 810 HG21 THR 111 1HG2 THR 111 14.165 4.587 4.399 811 HG22 THR 111 2HG2 THR 111 15.145 5.083 3.019 812 HG23 THR 111 3HG2 THR 111 15.897 4.260 4.385 813 H GLY 112 H GLY 112 13.290 3.382 -0.010 814 HA2 GLY 112 1HA GLY 112 12.264 1.266 -1.257 815 HA3 GLY 112 2HA GLY 112 13.712 2.047 -1.875 816 H GLU 113 H GLU 113 15.571 1.292 0.036 817 HA GLU 113 HA GLU 113 16.296 -1.268 -0.862 818 HB2 GLU 113 1HB GLU 113 17.827 -1.051 1.319 819 HB3 GLU 113 2HB GLU 113 18.160 -0.168 -0.164 820 HG2 GLU 113 1HG GLU 113 17.463 1.837 0.705 821 HG3 GLU 113 2HG GLU 113 16.412 1.076 1.899 822 H ALA 114 H ALA 114 15.095 -0.220 2.324 823 HA ALA 114 HA ALA 114 15.004 -2.745 3.516 824 HB1 ALA 114 1HB ALA 114 12.909 -0.791 4.264 825 HB2 ALA 114 2HB ALA 114 14.018 -1.713 5.280 826 HB3 ALA 114 3HB ALA 114 14.588 -0.277 4.430 827 H ILE 115 H ILE 115 12.448 -0.948 1.812 828 HA ILE 115 HA ILE 115 10.354 -2.715 2.114 829 HB ILE 115 HB ILE 115 10.977 -1.128 -0.379 830 HG12 ILE 115 1HG1 ILE 115 9.047 -0.194 1.688 831 HG13 ILE 115 2HG1 ILE 115 10.762 -0.035 2.047 832 HG21 ILE 115 1HG2 ILE 115 8.274 -1.975 0.627 833 HG22 ILE 115 2HG2 ILE 115 8.700 -1.321 -0.954 834 HG23 ILE 115 3HG2 ILE 115 9.214 -2.947 -0.506 835 HD11 ILE 115 1HD1 ILE 115 11.100 1.520 0.405 836 HD12 ILE 115 2HD1 ILE 115 9.738 0.954 -0.564 837 HD13 ILE 115 3HD1 ILE 115 9.449 1.901 0.895 838 H VAL 116 H VAL 116 12.882 -2.738 -0.379 839 HA VAL 116 HA VAL 116 11.983 -4.823 -1.951 840 HB VAL 116 HB VAL 116 14.789 -3.986 -1.245 841 HG11 VAL 116 1HG1 VAL 116 13.927 -6.068 -3.249 842 HG12 VAL 116 2HG1 VAL 116 15.552 -5.392 -3.121 843 HG13 VAL 116 3HG1 VAL 116 14.883 -6.342 -1.793 844 HG21 VAL 116 1HG2 VAL 116 14.422 -3.548 -3.904 845 HG22 VAL 116 2HG2 VAL 116 12.798 -3.267 -3.277 846 HG23 VAL 116 3HG2 VAL 116 14.159 -2.343 -2.644 847 H ASP 117 H ASP 117 13.799 -4.953 1.076 848 HA ASP 117 HA ASP 117 14.118 -7.798 1.027 849 HB2 ASP 117 1HB ASP 117 15.490 -5.964 2.311 850 HB3 ASP 117 2HB ASP 117 14.264 -6.197 3.555 851 H ALA 118 H ALA 118 11.815 -5.551 2.437 852 HA ALA 118 HA ALA 118 10.484 -7.395 4.115 853 HB1 ALA 118 1HB ALA 118 10.363 -4.723 3.814 854 HB2 ALA 118 2HB ALA 118 8.887 -5.197 2.973 855 HB3 ALA 118 3HB ALA 118 9.134 -5.671 4.654 856 H ALA 119 H ALA 119 9.808 -6.273 0.812 857 HA ALA 119 HA ALA 119 7.441 -7.700 0.399 858 HB1 ALA 119 1HB ALA 119 9.372 -7.267 -1.838 859 HB2 ALA 119 2HB ALA 119 7.615 -7.110 -1.824 860 HB3 ALA 119 3HB ALA 119 8.616 -5.883 -1.048 861 H LEU 120 H LEU 120 10.811 -8.622 -0.237 862 HA LEU 120 HA LEU 120 10.258 -11.123 -1.400 863 HB2 LEU 120 1HB LEU 120 12.679 -10.149 0.105 864 HB3 LEU 120 2HB LEU 120 12.610 -11.667 -0.788 865 HG LEU 120 HG LEU 120 12.026 -9.105 -2.208 866 HD11 LEU 120 1HD1 LEU 120 14.056 -8.280 -1.890 867 HD12 LEU 120 2HD1 LEU 120 14.750 -9.744 -2.586 868 HD13 LEU 120 3HD1 LEU 120 14.472 -9.641 -0.848 869 HD21 LEU 120 1HD2 LEU 120 12.634 -10.290 -4.116 870 HD22 LEU 120 2HD2 LEU 120 11.782 -11.492 -3.146 871 HD23 LEU 120 3HD2 LEU 120 13.545 -11.491 -3.200 872 H SER 121 H SER 121 11.325 -10.360 1.918 873 HA SER 121 HA SER 121 11.300 -12.821 3.062 874 HB2 SER 121 1HB SER 121 11.679 -10.444 4.102 875 HB3 SER 121 2HB SER 121 9.979 -10.578 4.553 876 HG SER 121 HG SER 121 11.649 -11.392 6.087 877 H ALA 122 H ALA 122 8.470 -10.764 2.501 878 HA ALA 122 HA ALA 122 6.618 -12.603 3.662 879 HB1 ALA 122 1HB ALA 122 5.535 -10.649 3.688 880 HB2 ALA 122 2HB ALA 122 6.509 -9.988 2.373 881 HB3 ALA 122 3HB ALA 122 5.117 -11.009 2.013 882 H LEU 123 H LEU 123 7.743 -11.932 0.387 883 HA LEU 123 HA LEU 123 5.921 -13.326 -1.125 884 HB2 LEU 123 1HB LEU 123 7.926 -11.990 -1.899 885 HB3 LEU 123 2HB LEU 123 8.889 -13.437 -1.604 886 HG LEU 123 HG LEU 123 8.463 -13.409 -3.916 887 HD11 LEU 123 1HD1 LEU 123 7.392 -15.450 -4.273 888 HD12 LEU 123 2HD1 LEU 123 6.276 -15.207 -2.930 889 HD13 LEU 123 3HD1 LEU 123 7.975 -15.558 -2.612 890 HD21 LEU 123 1HD2 LEU 123 6.012 -13.336 -4.706 891 HD22 LEU 123 2HD2 LEU 123 6.790 -11.824 -4.238 892 HD23 LEU 123 3HD2 LEU 123 5.680 -12.627 -3.126 893 H ARG 124 H ARG 124 8.921 -14.655 0.274 894 HA ARG 124 HA ARG 124 8.290 -17.338 -0.443 895 HB2 ARG 124 1HB ARG 124 10.271 -17.954 0.680 896 HB3 ARG 124 2HB ARG 124 10.602 -16.365 0.002 897 HG2 ARG 124 1HG ARG 124 10.266 -15.327 2.149 898 HG3 ARG 124 2HG ARG 124 9.781 -16.871 2.853 899 HD2 ARG 124 1HD ARG 124 12.431 -16.695 1.514 900 HD3 ARG 124 2HD ARG 124 12.244 -15.944 3.099 901 HE ARG 124 HE ARG 124 11.230 -18.410 3.488 902 HH11 ARG 124 2HH1 ARG 124 14.214 -17.271 2.102 903 HH12 ARG 124 1HH1 ARG 124 15.121 -18.666 2.584 904 HH21 ARG 124 2HH2 ARG 124 12.414 -20.251 4.128 905 HH22 ARG 124 1HH2 ARG 124 14.096 -20.361 3.736 906 H SER 125 H SER 125 7.954 -15.427 2.507 907 HA SER 125 HA SER 125 7.317 -17.334 4.361 908 HB2 SER 125 1HB SER 125 7.469 -14.989 4.963 909 HB3 SER 125 2HB SER 125 6.046 -14.612 3.992 910 HG SER 125 HG SER 125 5.849 -14.981 6.407 911 H GLY 126 H GLY 126 5.031 -15.746 2.134 912 HA2 GLY 126 1HA GLY 126 2.808 -17.334 2.943 913 HA3 GLY 126 2HA GLY 126 2.892 -16.323 1.508 914 HA PRO 127 HA PRO 127 3.030 -20.951 0.482 915 HB2 PRO 127 1HB PRO 127 0.562 -21.145 -0.633 916 HB3 PRO 127 2HB PRO 127 0.865 -21.428 1.085 917 HG2 PRO 127 1HG PRO 127 -0.192 -18.979 -0.274 918 HG3 PRO 127 2HG PRO 127 -0.738 -19.749 1.227 919 HD2 PRO 127 1HD PRO 127 0.851 -17.557 1.210 920 HD3 PRO 127 2HD PRO 127 0.946 -18.796 2.478 921 H SER 128 H SER 128 2.578 -17.947 -1.012 922 HA SER 128 HA SER 128 2.162 -18.571 -3.686 923 HB2 SER 128 1HB SER 128 3.800 -16.347 -2.453 924 HB3 SER 128 2HB SER 128 3.383 -16.428 -4.164 925 HG SER 128 HG SER 128 1.939 -15.412 -2.231 926 H SER 129 H SER 129 3.659 -18.664 -5.472 927 HA SER 129 HA SER 129 6.284 -19.778 -4.729 928 HB2 SER 129 1HB SER 129 5.085 -21.658 -5.479 929 HB3 SER 129 2HB SER 129 4.284 -20.749 -6.759 930 HG SER 129 HG SER 129 6.034 -20.901 -7.992 931 H GLY 130 H GLY 130 7.890 -18.545 -5.429 932 HA2 GLY 130 1HA GLY 130 7.421 -16.642 -7.588 933 HA3 GLY 130 2HA GLY 130 8.821 -16.691 -6.527 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -8.496 -1.792 -16.244 2 HA2 GLY 1 1HA GLY 1 -10.752 -1.711 -15.439 3 HA3 GLY 1 2HA GLY 1 -10.184 -0.798 -14.049 4 H SER 2 H SER 2 -12.116 -0.444 -16.519 5 HA SER 2 HA SER 2 -11.169 2.217 -17.321 6 HB2 SER 2 1HB SER 2 -13.237 0.379 -18.541 7 HB3 SER 2 2HB SER 2 -12.941 2.025 -19.099 8 HG SER 2 HG SER 2 -11.093 -0.129 -19.069 9 H SER 3 H SER 3 -11.784 3.414 -15.530 10 HA SER 3 HA SER 3 -14.633 4.003 -15.385 11 HB2 SER 3 1HB SER 3 -14.094 2.227 -13.650 12 HB3 SER 3 2HB SER 3 -13.086 3.434 -12.852 13 HG SER 3 HG SER 3 -14.896 4.696 -12.520 14 H GLY 4 H GLY 4 -15.108 6.055 -14.479 15 HA2 GLY 4 1HA GLY 4 -14.495 8.131 -13.496 16 HA3 GLY 4 2HA GLY 4 -12.810 7.762 -13.834 17 H SER 5 H SER 5 -12.203 7.704 -16.175 18 HA SER 5 HA SER 5 -11.956 8.812 -18.147 19 HB2 SER 5 1HB SER 5 -14.944 8.632 -17.888 20 HB3 SER 5 2HB SER 5 -14.221 9.502 -19.242 21 HG SER 5 HG SER 5 -13.224 6.963 -18.684 22 H SER 6 H SER 6 -11.533 10.354 -15.889 23 HA SER 6 HA SER 6 -12.892 12.895 -16.279 24 HB2 SER 6 1HB SER 6 -11.751 13.625 -14.281 25 HB3 SER 6 2HB SER 6 -12.387 12.006 -13.990 26 HG SER 6 HG SER 6 -9.859 12.002 -15.033 27 H GLY 7 H GLY 7 -11.459 14.905 -16.240 28 HA2 GLY 7 1HA GLY 7 -9.742 14.792 -18.531 29 HA3 GLY 7 2HA GLY 7 -10.090 16.214 -17.559 30 H ALA 8 H ALA 8 -9.124 15.837 -15.175 31 HA ALA 8 HA ALA 8 -6.411 14.752 -15.413 32 HB1 ALA 8 1HB ALA 8 -6.414 17.211 -15.931 33 HB2 ALA 8 2HB ALA 8 -6.926 17.486 -14.266 34 HB3 ALA 8 3HB ALA 8 -5.371 16.723 -14.596 35 H VAL 9 H VAL 9 -5.369 14.354 -13.371 36 HA VAL 9 HA VAL 9 -7.083 14.454 -11.003 37 HB VAL 9 HB VAL 9 -6.684 12.136 -10.427 38 HG11 VAL 9 1HG1 VAL 9 -8.619 12.795 -11.903 39 HG12 VAL 9 2HG1 VAL 9 -7.676 12.195 -13.269 40 HG13 VAL 9 3HG1 VAL 9 -8.151 11.096 -11.973 41 HG21 VAL 9 1HG2 VAL 9 -4.581 11.628 -11.319 42 HG22 VAL 9 2HG2 VAL 9 -5.699 10.639 -12.258 43 HG23 VAL 9 3HG2 VAL 9 -5.048 12.128 -12.944 44 H SER 10 H SER 10 -5.860 13.836 -9.008 45 HA SER 10 HA SER 10 -3.145 14.930 -9.184 46 HB2 SER 10 1HB SER 10 -3.356 15.304 -6.751 47 HB3 SER 10 2HB SER 10 -4.665 16.077 -7.645 48 HG SER 10 HG SER 10 -5.610 13.753 -7.126 49 H GLY 11 H GLY 11 -1.426 13.968 -7.941 50 HA2 GLY 11 1HA GLY 11 -1.394 11.672 -6.486 51 HA3 GLY 11 2HA GLY 11 -1.449 11.093 -8.145 52 H LEU 12 H LEU 12 0.594 11.622 -5.697 53 HA LEU 12 HA LEU 12 2.746 13.035 -6.808 54 HB2 LEU 12 1HB LEU 12 2.961 10.749 -4.863 55 HB3 LEU 12 2HB LEU 12 4.087 12.088 -5.075 56 HG LEU 12 HG LEU 12 1.272 12.406 -4.044 57 HD11 LEU 12 1HD1 LEU 12 2.388 12.714 -1.835 58 HD12 LEU 12 2HD1 LEU 12 3.871 12.091 -2.557 59 HD13 LEU 12 3HD1 LEU 12 2.441 11.064 -2.455 60 HD21 LEU 12 1HD2 LEU 12 2.486 14.539 -3.140 61 HD22 LEU 12 2HD2 LEU 12 1.881 14.491 -4.796 62 HD23 LEU 12 3HD2 LEU 12 3.595 14.226 -4.476 63 H TYR 13 H TYR 13 2.059 9.548 -6.749 64 HA TYR 13 HA TYR 13 4.370 8.900 -8.320 65 HB2 TYR 13 1HB TYR 13 1.948 7.247 -7.577 66 HB3 TYR 13 2HB TYR 13 3.387 6.618 -8.373 67 HD1 TYR 13 2HD TYR 13 2.201 8.255 -5.257 68 HD2 TYR 13 1HD TYR 13 5.256 5.949 -7.117 69 HE1 TYR 13 2HE TYR 13 3.240 7.872 -3.061 70 HE2 TYR 13 1HE TYR 13 6.303 5.558 -4.925 71 HH TYR 13 HH TYR 13 5.450 7.300 -2.144 72 H SER 14 H SER 14 4.409 8.131 -10.457 73 HA SER 14 HA SER 14 2.085 8.937 -12.081 74 HB2 SER 14 1HB SER 14 5.033 9.073 -12.750 75 HB3 SER 14 2HB SER 14 3.741 9.365 -13.915 76 HG SER 14 HG SER 14 4.414 11.325 -13.052 77 H SER 15 H SER 15 2.173 7.838 -14.322 78 HA SER 15 HA SER 15 2.055 5.014 -13.866 79 HB2 SER 15 1HB SER 15 1.521 6.797 -16.225 80 HB3 SER 15 2HB SER 15 1.584 5.046 -16.429 81 HG SER 15 HG SER 15 -0.534 5.716 -15.997 82 H SER 16 H SER 16 4.334 7.215 -15.308 83 HA SER 16 HA SER 16 5.825 5.474 -16.887 84 HB2 SER 16 1HB SER 16 6.144 7.917 -16.886 85 HB3 SER 16 2HB SER 16 6.831 7.826 -15.265 86 HG SER 16 HG SER 16 8.634 7.613 -16.339 87 H ASP 17 H ASP 17 6.278 6.326 -13.463 88 HA ASP 17 HA ASP 17 8.521 4.803 -12.921 89 HB2 ASP 17 1HB ASP 17 6.337 4.917 -10.884 90 HB3 ASP 17 2HB ASP 17 8.071 5.152 -10.682 91 H ASP 18 H ASP 18 8.243 2.894 -11.160 92 HA ASP 18 HA ASP 18 7.029 0.733 -12.676 93 HB2 ASP 18 1HB ASP 18 8.692 0.641 -10.149 94 HB3 ASP 18 2HB ASP 18 8.218 -0.747 -11.125 95 H VAL 19 H VAL 19 6.258 2.712 -10.023 96 HA VAL 19 HA VAL 19 4.684 0.898 -8.509 97 HB VAL 19 HB VAL 19 4.533 3.912 -8.668 98 HG11 VAL 19 1HG1 VAL 19 3.639 2.587 -6.219 99 HG12 VAL 19 2HG1 VAL 19 2.912 3.917 -7.121 100 HG13 VAL 19 3HG1 VAL 19 2.630 2.251 -7.625 101 HG21 VAL 19 1HG2 VAL 19 5.719 3.665 -6.416 102 HG22 VAL 19 2HG2 VAL 19 6.075 2.015 -6.924 103 HG23 VAL 19 3HG2 VAL 19 6.671 3.378 -7.872 104 H ILE 20 H ILE 20 2.646 0.222 -8.768 105 HA ILE 20 HA ILE 20 1.214 1.053 -11.159 106 HB ILE 20 HB ILE 20 0.671 -1.139 -9.158 107 HG12 ILE 20 1HG1 ILE 20 1.357 -1.381 -12.085 108 HG13 ILE 20 2HG1 ILE 20 2.592 -1.335 -10.832 109 HG21 ILE 20 1HG2 ILE 20 -1.431 -0.239 -10.031 110 HG22 ILE 20 2HG2 ILE 20 -0.848 -0.480 -11.677 111 HG23 ILE 20 3HG2 ILE 20 -1.127 -1.870 -10.628 112 HD11 ILE 20 1HD1 ILE 20 2.146 -3.610 -11.433 113 HD12 ILE 20 2HD1 ILE 20 1.550 -3.322 -9.799 114 HD13 ILE 20 3HD1 ILE 20 0.420 -3.390 -11.151 115 H GLU 21 H GLU 21 -0.306 2.561 -11.132 116 HA GLU 21 HA GLU 21 -1.186 3.809 -8.748 117 HB2 GLU 21 1HB GLU 21 -1.050 4.754 -11.158 118 HB3 GLU 21 2HB GLU 21 -2.638 4.030 -11.369 119 HG2 GLU 21 1HG GLU 21 -1.813 6.292 -9.608 120 HG3 GLU 21 2HG GLU 21 -3.131 6.204 -10.774 121 H LEU 22 H LEU 22 -2.226 2.443 -7.362 122 HA LEU 22 HA LEU 22 -4.356 0.719 -8.269 123 HB2 LEU 22 1HB LEU 22 -3.189 1.343 -5.572 124 HB3 LEU 22 2HB LEU 22 -4.611 0.321 -5.766 125 HG LEU 22 HG LEU 22 -1.883 -0.248 -6.925 126 HD11 LEU 22 1HD1 LEU 22 -3.037 -2.024 -4.892 127 HD12 LEU 22 2HD1 LEU 22 -2.555 -0.431 -4.309 128 HD13 LEU 22 3HD1 LEU 22 -1.377 -1.470 -5.111 129 HD21 LEU 22 1HD2 LEU 22 -4.384 -1.933 -6.830 130 HD22 LEU 22 2HD2 LEU 22 -2.815 -2.435 -7.459 131 HD23 LEU 22 3HD2 LEU 22 -3.720 -1.153 -8.265 132 H THR 23 H THR 23 -6.502 1.062 -8.129 133 HA THR 23 HA THR 23 -7.442 3.470 -6.727 134 HB THR 23 HB THR 23 -8.614 4.305 -8.506 135 HG1 THR 23 1HG THR 23 -8.770 1.612 -9.353 136 HG21 THR 23 1HG2 THR 23 -6.015 3.495 -9.116 137 HG22 THR 23 2HG2 THR 23 -6.967 4.719 -9.956 138 HG23 THR 23 3HG2 THR 23 -6.971 3.052 -10.529 139 HA PRO 24 HA PRO 24 -10.675 1.008 -5.072 140 HB2 PRO 24 1HB PRO 24 -12.794 2.704 -5.112 141 HB3 PRO 24 2HB PRO 24 -11.436 2.890 -3.996 142 HG2 PRO 24 1HG PRO 24 -11.973 4.307 -6.578 143 HG3 PRO 24 2HG PRO 24 -11.391 4.968 -5.039 144 HD2 PRO 24 1HD PRO 24 -9.736 4.435 -7.114 145 HD3 PRO 24 2HD PRO 24 -9.223 4.285 -5.421 146 H SER 25 H SER 25 -10.370 1.297 -8.187 147 HA SER 25 HA SER 25 -13.015 0.155 -8.815 148 HB2 SER 25 1HB SER 25 -11.340 2.133 -10.279 149 HB3 SER 25 2HB SER 25 -12.225 0.952 -11.244 150 HG SER 25 HG SER 25 -13.589 2.656 -10.960 151 H ASN 26 H ASN 26 -9.594 -0.197 -8.926 152 HA ASN 26 HA ASN 26 -9.921 -2.774 -10.313 153 HB2 ASN 26 1HB ASN 26 -7.398 -2.288 -10.949 154 HB3 ASN 26 2HB ASN 26 -8.719 -1.653 -11.926 155 HD21 ASN 26 1HD2 ASN 26 -6.032 -0.916 -9.979 156 HD22 ASN 26 2HD2 ASN 26 -6.166 0.806 -10.037 157 H PHE 27 H PHE 27 -8.871 -1.103 -7.568 158 HA PHE 27 HA PHE 27 -6.713 -2.335 -6.538 159 HB2 PHE 27 1HB PHE 27 -8.156 -0.665 -5.355 160 HB3 PHE 27 2HB PHE 27 -9.270 -1.971 -4.966 161 HD1 PHE 27 1HD PHE 27 -8.194 -4.025 -3.746 162 HD2 PHE 27 2HD PHE 27 -6.508 -0.118 -3.848 163 HE1 PHE 27 1HE PHE 27 -6.888 -4.540 -1.726 164 HE2 PHE 27 2HE PHE 27 -5.198 -0.627 -1.829 165 HZ PHE 27 HZ PHE 27 -5.386 -2.840 -0.765 166 H ASN 28 H ASN 28 -9.782 -3.824 -7.178 167 HA ASN 28 HA ASN 28 -9.112 -6.237 -5.705 168 HB2 ASN 28 1HB ASN 28 -11.464 -5.229 -5.902 169 HB3 ASN 28 2HB ASN 28 -11.476 -5.879 -7.538 170 HD21 ASN 28 1HD2 ASN 28 -11.323 -8.153 -7.818 171 HD22 ASN 28 2HD2 ASN 28 -11.828 -9.227 -6.562 172 H ARG 29 H ARG 29 -9.496 -5.182 -9.059 173 HA ARG 29 HA ARG 29 -8.847 -7.779 -10.122 174 HB2 ARG 29 1HB ARG 29 -9.496 -5.099 -11.258 175 HB3 ARG 29 2HB ARG 29 -8.636 -6.244 -12.279 176 HG2 ARG 29 1HG ARG 29 -10.926 -6.514 -12.757 177 HG3 ARG 29 2HG ARG 29 -10.463 -7.899 -11.766 178 HD2 ARG 29 1HD ARG 29 -11.670 -7.185 -9.960 179 HD3 ARG 29 2HD ARG 29 -11.510 -5.482 -10.390 180 HE ARG 29 HE ARG 29 -13.098 -6.790 -12.311 181 HH11 ARG 29 2HH1 ARG 29 -13.196 -5.728 -8.997 182 HH12 ARG 29 1HH1 ARG 29 -14.915 -5.512 -8.980 183 HH21 ARG 29 2HH2 ARG 29 -15.361 -6.510 -12.301 184 HH22 ARG 29 1HH2 ARG 29 -16.146 -5.958 -10.860 185 H GLU 30 H GLU 30 -7.045 -5.367 -8.739 186 HA GLU 30 HA GLU 30 -4.676 -5.957 -10.380 187 HB2 GLU 30 1HB GLU 30 -5.542 -3.591 -8.802 188 HB3 GLU 30 2HB GLU 30 -3.819 -3.939 -8.846 189 HG2 GLU 30 1HG GLU 30 -5.459 -3.753 -11.347 190 HG3 GLU 30 2HG GLU 30 -4.748 -2.332 -10.585 191 H VAL 31 H VAL 31 -5.785 -5.668 -7.022 192 HA VAL 31 HA VAL 31 -3.398 -7.138 -6.141 193 HB VAL 31 HB VAL 31 -5.419 -5.607 -4.496 194 HG11 VAL 31 1HG1 VAL 31 -4.616 -7.175 -3.010 195 HG12 VAL 31 2HG1 VAL 31 -3.034 -7.258 -3.787 196 HG13 VAL 31 3HG1 VAL 31 -3.457 -5.863 -2.794 197 HG21 VAL 31 1HG2 VAL 31 -3.660 -4.443 -6.093 198 HG22 VAL 31 2HG2 VAL 31 -4.014 -3.806 -4.487 199 HG23 VAL 31 3HG2 VAL 31 -2.573 -4.788 -4.749 200 H ILE 32 H ILE 32 -6.829 -6.987 -5.168 201 HA ILE 32 HA ILE 32 -6.997 -9.411 -3.886 202 HB ILE 32 HB ILE 32 -9.171 -8.201 -5.598 203 HG12 ILE 32 1HG1 ILE 32 -8.241 -6.592 -3.973 204 HG13 ILE 32 2HG1 ILE 32 -9.894 -7.046 -3.572 205 HG21 ILE 32 1HG2 ILE 32 -10.674 -9.348 -3.983 206 HG22 ILE 32 2HG2 ILE 32 -9.721 -10.449 -4.976 207 HG23 ILE 32 3HG2 ILE 32 -9.259 -10.148 -3.301 208 HD11 ILE 32 1HD1 ILE 32 -8.710 -7.014 -1.545 209 HD12 ILE 32 2HD1 ILE 32 -8.896 -8.718 -1.962 210 HD13 ILE 32 3HD1 ILE 32 -7.353 -7.907 -2.231 211 H GLN 33 H GLN 33 -7.039 -8.763 -7.328 212 HA GLN 33 HA GLN 33 -7.572 -11.577 -7.917 213 HB2 GLN 33 1HB GLN 33 -7.451 -9.103 -9.631 214 HB3 GLN 33 2HB GLN 33 -7.526 -10.718 -10.323 215 HG2 GLN 33 1HG GLN 33 -9.604 -9.156 -8.911 216 HG3 GLN 33 2HG GLN 33 -9.734 -10.210 -10.317 217 HE21 GLN 33 1HE2 GLN 33 -10.152 -9.925 -6.974 218 HE22 GLN 33 2HE2 GLN 33 -10.556 -11.570 -6.636 219 H SER 34 H SER 34 -5.070 -10.737 -6.682 220 HA SER 34 HA SER 34 -3.237 -11.752 -8.743 221 HB2 SER 34 1HB SER 34 -2.883 -9.324 -8.543 222 HB3 SER 34 2HB SER 34 -2.618 -9.504 -6.809 223 HG SER 34 HG SER 34 -0.925 -10.008 -8.910 224 H ASP 35 H ASP 35 -3.344 -13.806 -7.812 225 HA ASP 35 HA ASP 35 -3.212 -14.583 -5.212 226 HB2 ASP 35 1HB ASP 35 -2.199 -15.765 -7.745 227 HB3 ASP 35 2HB ASP 35 -1.632 -16.484 -6.241 228 H GLY 36 H GLY 36 -0.595 -13.301 -7.159 229 HA2 GLY 36 1HA GLY 36 1.562 -14.001 -5.496 230 HA3 GLY 36 2HA GLY 36 1.538 -12.649 -6.619 231 H LEU 37 H LEU 37 2.845 -11.566 -4.990 232 HA LEU 37 HA LEU 37 1.365 -10.713 -2.609 233 HB2 LEU 37 1HB LEU 37 3.861 -11.587 -2.738 234 HB3 LEU 37 2HB LEU 37 4.179 -9.894 -3.111 235 HG LEU 37 HG LEU 37 2.912 -9.367 -0.950 236 HD11 LEU 37 1HD1 LEU 37 3.490 -11.555 0.570 237 HD12 LEU 37 2HD1 LEU 37 2.908 -12.292 -0.922 238 HD13 LEU 37 3HD1 LEU 37 1.891 -11.144 -0.052 239 HD21 LEU 37 1HD2 LEU 37 4.911 -9.139 0.053 240 HD22 LEU 37 2HD2 LEU 37 5.543 -9.690 -1.500 241 HD23 LEU 37 3HD2 LEU 37 5.337 -10.836 -0.174 242 H TRP 38 H TRP 38 0.918 -8.579 -2.171 243 HA TRP 38 HA TRP 38 1.601 -6.612 -4.246 244 HB2 TRP 38 1HB TRP 38 -1.072 -7.495 -3.370 245 HB3 TRP 38 2HB TRP 38 -0.858 -5.748 -3.449 246 HD1 TRP 38 HD TRP 38 -1.028 -8.849 -5.665 247 HE1 TRP 38 1HE TRP 38 -1.270 -8.104 -8.117 248 HE3 TRP 38 3HE TRP 38 -0.292 -3.826 -5.063 249 HZ2 TRP 38 2HZ TRP 38 -1.162 -5.704 -9.599 250 HZ3 TRP 38 3HZ TRP 38 -0.377 -2.375 -7.048 251 HH2 TRP 38 HH TRP 38 -0.802 -3.297 -9.268 252 H LEU 39 H LEU 39 2.404 -4.768 -3.466 253 HA LEU 39 HA LEU 39 2.146 -4.270 -0.577 254 HB2 LEU 39 1HB LEU 39 4.348 -3.916 -2.523 255 HB3 LEU 39 2HB LEU 39 4.195 -2.693 -1.263 256 HG LEU 39 HG LEU 39 4.435 -5.643 -0.695 257 HD11 LEU 39 1HD1 LEU 39 6.662 -5.552 -0.831 258 HD12 LEU 39 2HD1 LEU 39 6.735 -3.951 -0.097 259 HD13 LEU 39 3HD1 LEU 39 6.408 -4.115 -1.822 260 HD21 LEU 39 1HD2 LEU 39 5.116 -4.784 1.542 261 HD22 LEU 39 2HD2 LEU 39 3.440 -4.436 1.117 262 HD23 LEU 39 3HD2 LEU 39 4.661 -3.166 1.007 263 H VAL 40 H VAL 40 0.434 -2.933 -0.373 264 HA VAL 40 HA VAL 40 0.238 -0.605 -2.147 265 HB VAL 40 HB VAL 40 -1.770 -1.735 -0.192 266 HG11 VAL 40 1HG1 VAL 40 -3.296 -0.120 -1.517 267 HG12 VAL 40 2HG1 VAL 40 -2.271 0.531 -0.236 268 HG13 VAL 40 3HG1 VAL 40 -1.793 0.706 -1.925 269 HG21 VAL 40 1HG2 VAL 40 -2.270 -3.141 -1.840 270 HG22 VAL 40 2HG2 VAL 40 -2.789 -1.750 -2.793 271 HG23 VAL 40 3HG2 VAL 40 -1.136 -2.349 -2.935 272 H GLU 41 H GLU 41 0.649 1.402 -1.457 273 HA GLU 41 HA GLU 41 1.030 1.814 1.437 274 HB2 GLU 41 1HB GLU 41 3.190 1.964 0.536 275 HB3 GLU 41 2HB GLU 41 2.630 2.797 -0.907 276 HG2 GLU 41 1HG GLU 41 1.977 4.688 0.730 277 HG3 GLU 41 2HG GLU 41 3.078 3.877 1.841 278 H PHE 42 H PHE 42 -0.425 3.137 2.276 279 HA PHE 42 HA PHE 42 -1.969 4.899 0.568 280 HB2 PHE 42 1HB PHE 42 -2.160 4.357 3.539 281 HB3 PHE 42 2HB PHE 42 -3.296 5.331 2.611 282 HD1 PHE 42 1HD PHE 42 -2.008 1.925 3.151 283 HD2 PHE 42 2HD PHE 42 -4.986 4.325 1.284 284 HE1 PHE 42 1HE PHE 42 -3.309 -0.098 2.633 285 HE2 PHE 42 2HE PHE 42 -6.293 2.306 0.765 286 HZ PHE 42 HZ PHE 42 -5.455 0.091 1.440 287 H TYR 43 H TYR 43 -0.815 6.661 -0.017 288 HA TYR 43 HA TYR 43 0.469 8.228 2.119 289 HB2 TYR 43 1HB TYR 43 1.951 9.133 0.497 290 HB3 TYR 43 2HB TYR 43 1.885 7.402 0.181 291 HD1 TYR 43 1HD TYR 43 0.523 10.669 -0.950 292 HD2 TYR 43 2HD TYR 43 1.272 6.599 -1.936 293 HE1 TYR 43 1HE TYR 43 -0.096 11.127 -3.286 294 HE2 TYR 43 2HE TYR 43 0.656 7.046 -4.274 295 HH TYR 43 HH TYR 43 -0.977 9.008 -5.403 296 H ALA 44 H ALA 44 0.573 10.669 1.410 297 HA ALA 44 HA ALA 44 -2.031 11.503 0.338 298 HB1 ALA 44 1HB ALA 44 -2.081 13.272 2.148 299 HB2 ALA 44 2HB ALA 44 -2.405 11.616 2.665 300 HB3 ALA 44 3HB ALA 44 -0.824 12.339 2.961 301 HA PRO 45 HA PRO 45 0.728 14.096 -2.009 302 HB2 PRO 45 1HB PRO 45 -1.212 15.346 -3.438 303 HB3 PRO 45 2HB PRO 45 -0.667 13.701 -3.790 304 HG2 PRO 45 1HG PRO 45 -3.080 14.614 -2.271 305 HG3 PRO 45 2HG PRO 45 -2.939 13.318 -3.473 306 HD2 PRO 45 1HD PRO 45 -2.982 12.835 -0.809 307 HD3 PRO 45 2HD PRO 45 -2.067 11.826 -1.947 308 H TRP 46 H TRP 46 -1.093 14.908 0.564 309 HA TRP 46 HA TRP 46 -0.577 17.792 0.239 310 HB2 TRP 46 1HB TRP 46 -2.406 18.160 1.878 311 HB3 TRP 46 2HB TRP 46 -2.960 17.376 0.400 312 HD1 TRP 46 HD TRP 46 -4.364 15.252 0.720 313 HE1 TRP 46 1HE TRP 46 -4.865 13.661 2.680 314 HE3 TRP 46 3HE TRP 46 -1.127 17.178 4.177 315 HZ2 TRP 46 2HZ TRP 46 -4.003 13.274 5.340 316 HZ3 TRP 46 3HZ TRP 46 -1.027 16.140 6.405 317 HH2 TRP 46 HH TRP 46 -2.437 14.229 6.973 318 H CYS 47 H CYS 47 0.071 14.963 2.040 319 HA CYS 47 HA CYS 47 0.889 16.288 4.458 320 HB2 CYS 47 1HB CYS 47 0.117 13.771 3.984 321 HB3 CYS 47 2HB CYS 47 1.855 13.547 3.829 322 HG CYS 47 HG CYS 47 0.801 15.202 6.572 323 H GLY 48 H GLY 48 3.241 15.392 5.225 324 HA2 GLY 48 1HA GLY 48 5.090 16.485 3.205 325 HA3 GLY 48 2HA GLY 48 5.342 16.555 4.943 326 H HIS 49 H HIS 49 5.440 14.312 6.006 327 HA HIS 49 HA HIS 49 7.681 12.966 5.127 328 HB2 HIS 49 1HB HIS 49 6.671 11.018 6.554 329 HB3 HIS 49 2HB HIS 49 7.141 12.523 7.339 330 HD1 HIS 49 1HD HIS 49 5.488 12.896 9.139 331 HD2 HIS 49 2HD HIS 49 3.682 11.632 5.617 332 HE1 HIS 49 1HE HIS 49 3.014 12.967 9.589 333 HE2 HIS 49 2HE HIS 49 1.946 12.117 7.472 334 H CYS 50 H CYS 50 4.505 12.797 3.900 335 HA CYS 50 HA CYS 50 4.783 10.161 2.743 336 HB2 CYS 50 1HB CYS 50 2.670 12.305 2.515 337 HB3 CYS 50 2HB CYS 50 2.604 10.805 1.597 338 HG CYS 50 HG CYS 50 1.024 11.097 4.148 339 H GLN 51 H GLN 51 4.694 13.512 1.568 340 HA GLN 51 HA GLN 51 4.988 12.970 -1.154 341 HB2 GLN 51 1HB GLN 51 5.880 15.349 0.477 342 HB3 GLN 51 2HB GLN 51 5.935 15.297 -1.280 343 HG2 GLN 51 1HG GLN 51 3.560 15.114 -1.420 344 HG3 GLN 51 2HG GLN 51 3.423 14.914 0.326 345 HE21 GLN 51 1HE2 GLN 51 1.928 16.702 0.181 346 HE22 GLN 51 2HE2 GLN 51 2.535 18.319 0.157 347 H ARG 52 H ARG 52 7.251 12.752 1.423 348 HA ARG 52 HA ARG 52 9.561 12.808 -0.348 349 HB2 ARG 52 1HB ARG 52 10.901 12.769 1.600 350 HB3 ARG 52 2HB ARG 52 9.543 13.818 1.983 351 HG2 ARG 52 1HG ARG 52 8.662 12.362 3.499 352 HG3 ARG 52 2HG ARG 52 9.326 10.943 2.687 353 HD2 ARG 52 1HD ARG 52 11.595 11.678 3.440 354 HD3 ARG 52 2HD ARG 52 10.808 12.938 4.391 355 HE ARG 52 HE ARG 52 9.573 10.718 5.259 356 HH11 ARG 52 2HH1 ARG 52 12.938 11.502 4.827 357 HH12 ARG 52 1HH1 ARG 52 13.477 10.475 6.114 358 HH21 ARG 52 2HH2 ARG 52 10.271 9.362 6.955 359 HH22 ARG 52 1HH2 ARG 52 11.959 9.257 7.323 360 H LEU 53 H LEU 53 7.323 10.559 0.791 361 HA LEU 53 HA LEU 53 9.139 8.294 0.752 362 HB2 LEU 53 1HB LEU 53 7.241 8.477 2.361 363 HB3 LEU 53 2HB LEU 53 6.136 8.313 0.998 364 HG LEU 53 HG LEU 53 7.043 6.063 0.564 365 HD11 LEU 53 1HD1 LEU 53 8.994 6.933 2.529 366 HD12 LEU 53 2HD1 LEU 53 9.073 5.615 1.360 367 HD13 LEU 53 3HD1 LEU 53 8.293 5.362 2.921 368 HD21 LEU 53 1HD2 LEU 53 6.145 6.368 3.423 369 HD22 LEU 53 2HD2 LEU 53 5.931 4.968 2.372 370 HD23 LEU 53 3HD2 LEU 53 5.064 6.466 2.034 371 H THR 54 H THR 54 7.944 10.109 -1.602 372 HA THR 54 HA THR 54 6.674 8.319 -3.369 373 HB THR 54 HB THR 54 8.359 10.482 -4.517 374 HG1 THR 54 1HG THR 54 6.704 12.008 -3.789 375 HG21 THR 54 1HG2 THR 54 5.523 10.536 -5.073 376 HG22 THR 54 2HG2 THR 54 6.193 8.927 -5.339 377 HG23 THR 54 3HG2 THR 54 6.878 10.318 -6.179 378 HA PRO 55 HA PRO 55 11.096 7.730 -5.280 379 HB2 PRO 55 1HB PRO 55 13.191 8.399 -3.689 380 HB3 PRO 55 2HB PRO 55 12.436 9.537 -4.811 381 HG2 PRO 55 1HG PRO 55 12.031 9.237 -1.860 382 HG3 PRO 55 2HG PRO 55 12.205 10.717 -2.821 383 HD2 PRO 55 1HD PRO 55 9.799 9.796 -1.986 384 HD3 PRO 55 2HD PRO 55 10.007 10.675 -3.514 385 H GLU 56 H GLU 56 11.331 7.493 -1.722 386 HA GLU 56 HA GLU 56 12.780 5.156 -1.547 387 HB2 GLU 56 1HB GLU 56 10.627 6.267 0.247 388 HB3 GLU 56 2HB GLU 56 11.542 4.823 0.658 389 HG2 GLU 56 1HG GLU 56 12.832 6.328 1.727 390 HG3 GLU 56 2HG GLU 56 13.578 6.456 0.135 391 H TRP 57 H TRP 57 9.282 5.546 -1.908 392 HA TRP 57 HA TRP 57 8.712 2.754 -1.763 393 HB2 TRP 57 1HB TRP 57 7.101 4.691 -1.321 394 HB3 TRP 57 2HB TRP 57 6.965 4.835 -3.071 395 HD1 TRP 57 HD TRP 57 4.829 3.711 -3.887 396 HE1 TRP 57 1HE TRP 57 3.488 1.604 -3.266 397 HE3 TRP 57 3HE TRP 57 7.709 2.028 -0.013 398 HZ2 TRP 57 2HZ TRP 57 3.632 -0.494 -1.382 399 HZ3 TRP 57 3HZ TRP 57 7.038 -0.036 1.146 400 HH2 TRP 57 HH TRP 57 5.041 -1.269 0.474 401 H LYS 58 H LYS 58 8.857 5.070 -4.464 402 HA LYS 58 HA LYS 58 8.263 3.380 -6.556 403 HB2 LYS 58 1HB LYS 58 10.007 5.804 -6.323 404 HB3 LYS 58 2HB LYS 58 9.966 4.910 -7.837 405 HG2 LYS 58 1HG LYS 58 7.494 5.194 -7.864 406 HG3 LYS 58 2HG LYS 58 7.649 6.234 -6.446 407 HD2 LYS 58 1HD LYS 58 9.363 7.529 -7.915 408 HD3 LYS 58 2HD LYS 58 8.561 6.709 -9.257 409 HE2 LYS 58 1HE LYS 58 6.423 7.639 -8.576 410 HE3 LYS 58 2HE LYS 58 7.178 8.401 -7.177 411 HZ1 LYS 58 1HZ LYS 58 6.771 9.719 -9.387 412 HZ2 LYS 58 2HZ LYS 58 8.244 9.019 -9.834 413 HZ3 LYS 58 3HZ LYS 58 8.156 9.994 -8.454 414 H LYS 59 H LYS 59 11.437 3.969 -5.076 415 HA LYS 59 HA LYS 59 13.044 2.463 -6.724 416 HB2 LYS 59 1HB LYS 59 13.131 3.157 -3.825 417 HB3 LYS 59 2HB LYS 59 14.253 1.937 -4.415 418 HG2 LYS 59 1HG LYS 59 15.048 3.560 -6.111 419 HG3 LYS 59 2HG LYS 59 14.004 4.779 -5.376 420 HD2 LYS 59 1HD LYS 59 16.160 3.279 -3.894 421 HD3 LYS 59 2HD LYS 59 16.384 4.871 -4.622 422 HE2 LYS 59 1HE LYS 59 14.578 5.753 -3.212 423 HE3 LYS 59 2HE LYS 59 14.387 4.163 -2.474 424 HZ1 LYS 59 1HZ LYS 59 16.966 5.610 -2.416 425 HZ2 LYS 59 2HZ LYS 59 16.464 4.319 -1.445 426 HZ3 LYS 59 3HZ LYS 59 15.782 5.853 -1.232 427 H ALA 60 H ALA 60 11.380 1.304 -3.790 428 HA ALA 60 HA ALA 60 12.113 -1.374 -3.981 429 HB1 ALA 60 1HB ALA 60 9.402 -0.944 -2.970 430 HB2 ALA 60 2HB ALA 60 10.813 -1.648 -2.178 431 HB3 ALA 60 3HB ALA 60 10.619 0.104 -2.241 432 H ALA 61 H ALA 61 9.501 0.386 -5.546 433 HA ALA 61 HA ALA 61 8.088 -1.836 -6.550 434 HB1 ALA 61 1HB ALA 61 6.705 -0.290 -7.367 435 HB2 ALA 61 2HB ALA 61 7.742 0.898 -6.576 436 HB3 ALA 61 3HB ALA 61 7.993 0.500 -8.276 437 H THR 62 H THR 62 10.793 0.034 -7.824 438 HA THR 62 HA THR 62 10.832 -1.094 -10.408 439 HB THR 62 HB THR 62 13.202 -0.021 -8.868 440 HG1 THR 62 1HG THR 62 11.116 1.257 -10.292 441 HG21 THR 62 1HG2 THR 62 13.964 0.588 -11.193 442 HG22 THR 62 2HG2 THR 62 12.654 -0.422 -11.805 443 HG23 THR 62 3HG2 THR 62 13.942 -1.139 -10.837 444 H ALA 63 H ALA 63 12.527 -1.973 -7.418 445 HA ALA 63 HA ALA 63 13.948 -4.150 -8.601 446 HB1 ALA 63 1HB ALA 63 15.107 -3.588 -6.761 447 HB2 ALA 63 2HB ALA 63 13.682 -2.968 -5.926 448 HB3 ALA 63 3HB ALA 63 14.007 -4.701 -5.948 449 H LEU 64 H LEU 64 11.020 -3.874 -6.623 450 HA LEU 64 HA LEU 64 10.562 -6.738 -6.757 451 HB2 LEU 64 1HB LEU 64 8.711 -4.655 -5.632 452 HB3 LEU 64 2HB LEU 64 8.751 -6.380 -5.272 453 HG LEU 64 HG LEU 64 11.057 -4.598 -4.561 454 HD11 LEU 64 1HD1 LEU 64 9.057 -3.580 -3.593 455 HD12 LEU 64 2HD1 LEU 64 10.084 -4.295 -2.351 456 HD13 LEU 64 3HD1 LEU 64 8.618 -5.127 -2.869 457 HD21 LEU 64 1HD2 LEU 64 11.103 -6.389 -2.691 458 HD22 LEU 64 2HD2 LEU 64 11.673 -6.815 -4.305 459 HD23 LEU 64 3HD2 LEU 64 10.063 -7.309 -3.778 460 H LYS 65 H LYS 65 10.280 -4.499 -8.986 461 HA LYS 65 HA LYS 65 7.668 -4.410 -9.891 462 HB2 LYS 65 1HB LYS 65 9.092 -3.024 -11.072 463 HB3 LYS 65 2HB LYS 65 10.332 -4.261 -11.235 464 HG2 LYS 65 1HG LYS 65 8.837 -5.445 -12.841 465 HG3 LYS 65 2HG LYS 65 7.751 -4.055 -12.766 466 HD2 LYS 65 1HD LYS 65 9.008 -3.504 -14.605 467 HD3 LYS 65 2HD LYS 65 9.947 -2.722 -13.331 468 HE2 LYS 65 1HE LYS 65 11.631 -3.825 -14.393 469 HE3 LYS 65 2HE LYS 65 11.134 -5.092 -13.272 470 HZ1 LYS 65 1HZ LYS 65 10.376 -6.367 -14.928 471 HZ2 LYS 65 2HZ LYS 65 11.346 -5.407 -15.927 472 HZ3 LYS 65 3HZ LYS 65 9.695 -5.071 -15.776 473 H ASP 66 H ASP 66 10.153 -6.853 -10.563 474 HA ASP 66 HA ASP 66 8.116 -8.527 -11.850 475 HB2 ASP 66 1HB ASP 66 11.123 -8.519 -11.922 476 HB3 ASP 66 2HB ASP 66 10.207 -9.935 -12.433 477 H VAL 67 H VAL 67 8.642 -8.040 -8.878 478 HA VAL 67 HA VAL 67 8.750 -10.887 -8.128 479 HB VAL 67 HB VAL 67 9.684 -8.839 -6.175 480 HG11 VAL 67 1HG1 VAL 67 11.048 -10.669 -5.375 481 HG12 VAL 67 2HG1 VAL 67 9.377 -11.208 -5.553 482 HG13 VAL 67 3HG1 VAL 67 10.583 -11.658 -6.759 483 HG21 VAL 67 1HG2 VAL 67 11.437 -9.954 -8.363 484 HG22 VAL 67 2HG2 VAL 67 10.889 -8.282 -8.245 485 HG23 VAL 67 3HG2 VAL 67 11.963 -8.946 -7.014 486 H VAL 68 H VAL 68 7.966 -7.716 -6.685 487 HA VAL 68 HA VAL 68 5.401 -8.862 -5.796 488 HB VAL 68 HB VAL 68 7.154 -6.965 -4.227 489 HG11 VAL 68 1HG1 VAL 68 4.992 -8.109 -2.737 490 HG12 VAL 68 2HG1 VAL 68 5.372 -6.410 -3.023 491 HG13 VAL 68 3HG1 VAL 68 4.362 -7.294 -4.168 492 HG21 VAL 68 1HG2 VAL 68 8.120 -9.068 -3.965 493 HG22 VAL 68 2HG2 VAL 68 7.038 -8.941 -2.578 494 HG23 VAL 68 3HG2 VAL 68 6.562 -9.893 -3.983 495 H LYS 69 H LYS 69 3.720 -7.809 -6.600 496 HA LYS 69 HA LYS 69 3.925 -5.469 -8.136 497 HB2 LYS 69 1HB LYS 69 1.592 -6.924 -6.913 498 HB3 LYS 69 2HB LYS 69 1.366 -5.437 -7.824 499 HG2 LYS 69 1HG LYS 69 2.813 -7.804 -8.967 500 HG3 LYS 69 2HG LYS 69 1.061 -7.621 -9.076 501 HD2 LYS 69 1HD LYS 69 1.197 -5.888 -10.553 502 HD3 LYS 69 2HD LYS 69 2.735 -5.314 -9.904 503 HE2 LYS 69 1HE LYS 69 2.430 -7.847 -11.508 504 HE3 LYS 69 2HE LYS 69 2.850 -6.287 -12.213 505 HZ1 LYS 69 1HZ LYS 69 4.847 -6.224 -10.936 506 HZ2 LYS 69 2HZ LYS 69 4.786 -7.722 -11.720 507 HZ3 LYS 69 3HZ LYS 69 4.418 -7.615 -10.072 508 H VAL 70 H VAL 70 4.760 -3.696 -7.153 509 HA VAL 70 HA VAL 70 3.656 -2.828 -4.589 510 HB VAL 70 HB VAL 70 5.966 -1.720 -6.191 511 HG11 VAL 70 1HG1 VAL 70 6.281 -0.102 -4.625 512 HG12 VAL 70 2HG1 VAL 70 4.528 -0.260 -4.492 513 HG13 VAL 70 3HG1 VAL 70 5.579 -1.066 -3.326 514 HG21 VAL 70 1HG2 VAL 70 7.157 -2.642 -4.038 515 HG22 VAL 70 2HG2 VAL 70 5.750 -3.704 -3.978 516 HG23 VAL 70 3HG2 VAL 70 6.797 -3.707 -5.397 517 H GLY 71 H GLY 71 1.755 -1.800 -4.853 518 HA2 GLY 71 1HA GLY 71 1.449 0.091 -7.072 519 HA3 GLY 71 2HA GLY 71 0.156 -0.526 -6.054 520 H ALA 72 H ALA 72 -0.576 1.653 -5.813 521 HA ALA 72 HA ALA 72 0.393 2.893 -3.451 522 HB1 ALA 72 1HB ALA 72 0.864 4.451 -5.989 523 HB2 ALA 72 2HB ALA 72 1.198 4.981 -4.340 524 HB3 ALA 72 3HB ALA 72 2.127 3.658 -5.046 525 H VAL 73 H VAL 73 -1.408 3.574 -2.514 526 HA VAL 73 HA VAL 73 -3.582 4.607 -4.215 527 HB VAL 73 HB VAL 73 -3.628 2.950 -1.727 528 HG11 VAL 73 1HG1 VAL 73 -5.068 4.457 -0.839 529 HG12 VAL 73 2HG1 VAL 73 -5.500 5.137 -2.410 530 HG13 VAL 73 3HG1 VAL 73 -6.213 3.613 -1.880 531 HG21 VAL 73 1HG2 VAL 73 -5.496 1.861 -3.021 532 HG22 VAL 73 2HG2 VAL 73 -5.069 2.912 -4.371 533 HG23 VAL 73 3HG2 VAL 73 -3.897 1.747 -3.757 534 H ASN 74 H ASN 74 -4.058 6.687 -3.996 535 HA ASN 74 HA ASN 74 -2.771 8.312 -2.033 536 HB2 ASN 74 1HB ASN 74 -3.193 9.224 -4.233 537 HB3 ASN 74 2HB ASN 74 -4.923 8.944 -4.061 538 HD21 ASN 74 1HD2 ASN 74 -4.705 11.315 -4.698 539 HD22 ASN 74 2HD2 ASN 74 -4.666 12.446 -3.393 540 H ALA 75 H ALA 75 -3.462 7.619 -0.010 541 HA ALA 75 HA ALA 75 -5.930 7.004 0.924 542 HB1 ALA 75 1HB ALA 75 -4.761 6.930 2.806 543 HB2 ALA 75 2HB ALA 75 -3.480 7.897 2.076 544 HB3 ALA 75 3HB ALA 75 -4.823 8.690 2.899 545 H ASP 76 H ASP 76 -4.683 10.257 0.337 546 HA ASP 76 HA ASP 76 -6.807 11.706 1.452 547 HB2 ASP 76 1HB ASP 76 -4.674 12.742 0.823 548 HB3 ASP 76 2HB ASP 76 -5.025 12.449 -0.878 549 H LYS 77 H LYS 77 -6.298 10.538 -1.862 550 HA LYS 77 HA LYS 77 -8.859 11.533 -2.743 551 HB2 LYS 77 1HB LYS 77 -7.138 11.540 -4.382 552 HB3 LYS 77 2HB LYS 77 -6.715 9.865 -4.050 553 HG2 LYS 77 1HG LYS 77 -9.147 9.380 -4.838 554 HG3 LYS 77 2HG LYS 77 -9.015 10.968 -5.597 555 HD2 LYS 77 1HD LYS 77 -6.916 8.855 -5.987 556 HD3 LYS 77 2HD LYS 77 -8.368 8.912 -6.990 557 HE2 LYS 77 1HE LYS 77 -7.817 11.102 -7.777 558 HE3 LYS 77 2HE LYS 77 -6.492 11.241 -6.623 559 HZ1 LYS 77 1HZ LYS 77 -6.572 9.914 -9.186 560 HZ2 LYS 77 2HZ LYS 77 -5.833 9.011 -7.963 561 HZ3 LYS 77 3HZ LYS 77 -5.255 10.556 -8.340 562 H HIS 78 H HIS 78 -7.428 8.267 -2.549 563 HA HIS 78 HA HIS 78 -10.048 7.053 -2.705 564 HB2 HIS 78 1HB HIS 78 -7.375 5.729 -2.206 565 HB3 HIS 78 2HB HIS 78 -8.867 4.936 -2.701 566 HD1 HIS 78 1HD HIS 78 -9.707 6.780 -5.007 567 HD2 HIS 78 2HD HIS 78 -5.830 5.404 -4.421 568 HE1 HIS 78 1HE HIS 78 -8.600 6.907 -7.262 569 HE2 HIS 78 2HE HIS 78 -6.283 5.989 -6.900 570 H GLN 79 H GLN 79 -9.857 8.704 -0.483 571 HA GLN 79 HA GLN 79 -9.046 7.753 1.923 572 HB2 GLN 79 1HB GLN 79 -11.529 9.237 1.131 573 HB3 GLN 79 2HB GLN 79 -11.277 8.768 2.807 574 HG2 GLN 79 1HG GLN 79 -9.371 10.115 3.014 575 HG3 GLN 79 2HG GLN 79 -9.221 10.314 1.269 576 HE21 GLN 79 1HE2 GLN 79 -9.722 12.081 3.784 577 HE22 GLN 79 2HE2 GLN 79 -10.945 13.171 3.237 578 H SER 80 H SER 80 -11.865 6.680 0.097 579 HA SER 80 HA SER 80 -13.072 5.078 2.029 580 HB2 SER 80 1HB SER 80 -13.020 5.008 -0.972 581 HB3 SER 80 2HB SER 80 -13.824 3.720 -0.074 582 HG SER 80 HG SER 80 -15.394 5.041 0.387 583 H LEU 81 H LEU 81 -10.633 4.199 -0.407 584 HA LEU 81 HA LEU 81 -10.395 1.500 0.237 585 HB2 LEU 81 1HB LEU 81 -8.404 3.466 -0.864 586 HB3 LEU 81 2HB LEU 81 -8.050 1.749 -0.687 587 HG LEU 81 HG LEU 81 -10.236 2.914 -2.411 588 HD11 LEU 81 1HD1 LEU 81 -8.878 2.588 -4.264 589 HD12 LEU 81 2HD1 LEU 81 -7.773 1.525 -3.394 590 HD13 LEU 81 3HD1 LEU 81 -7.767 3.258 -3.069 591 HD21 LEU 81 1HD2 LEU 81 -9.803 0.284 -1.380 592 HD22 LEU 81 2HD2 LEU 81 -9.568 0.271 -3.128 593 HD23 LEU 81 3HD2 LEU 81 -11.083 0.864 -2.445 594 H GLY 82 H GLY 82 -8.342 4.201 1.354 595 HA2 GLY 82 1HA GLY 82 -6.726 2.788 3.102 596 HA3 GLY 82 2HA GLY 82 -7.159 4.480 3.302 597 H GLY 83 H GLY 83 -9.589 4.685 4.086 598 HA2 GLY 83 1HA GLY 83 -9.668 3.785 6.721 599 HA3 GLY 83 2HA GLY 83 -11.052 4.402 5.831 600 H GLN 84 H GLN 84 -11.373 2.495 3.881 601 HA GLN 84 HA GLN 84 -12.959 0.596 5.025 602 HB2 GLN 84 1HB GLN 84 -12.872 1.054 2.607 603 HB3 GLN 84 2HB GLN 84 -11.315 0.242 2.512 604 HG2 GLN 84 1HG GLN 84 -12.251 -1.857 2.898 605 HG3 GLN 84 2HG GLN 84 -13.745 -1.174 3.538 606 HE21 GLN 84 1HE2 GLN 84 -11.806 -1.352 0.585 607 HE22 GLN 84 2HE2 GLN 84 -13.147 -1.368 -0.504 608 H TYR 85 H TYR 85 -9.527 0.670 4.984 609 HA TYR 85 HA TYR 85 -9.371 -2.137 5.834 610 HB2 TYR 85 1HB TYR 85 -7.365 -0.213 4.697 611 HB3 TYR 85 2HB TYR 85 -6.829 -1.625 5.601 612 HD1 TYR 85 1HD TYR 85 -9.214 -0.796 2.839 613 HD2 TYR 85 2HD TYR 85 -6.333 -3.519 4.386 614 HE1 TYR 85 1HE TYR 85 -9.429 -2.169 0.809 615 HE2 TYR 85 2HE TYR 85 -6.539 -4.897 2.360 616 HH TYR 85 HH TYR 85 -8.200 -5.310 0.576 617 H GLY 86 H GLY 86 -8.545 1.154 6.809 618 HA2 GLY 86 1HA GLY 86 -8.996 1.379 9.325 619 HA3 GLY 86 2HA GLY 86 -7.765 0.132 9.461 620 H VAL 87 H VAL 87 -7.542 2.610 7.026 621 HA VAL 87 HA VAL 87 -5.025 3.496 8.132 622 HB VAL 87 HB VAL 87 -6.490 4.525 5.699 623 HG11 VAL 87 1HG1 VAL 87 -3.544 4.693 6.246 624 HG12 VAL 87 2HG1 VAL 87 -4.504 5.595 5.072 625 HG13 VAL 87 3HG1 VAL 87 -4.662 5.941 6.794 626 HG21 VAL 87 1HG2 VAL 87 -5.203 3.024 4.381 627 HG22 VAL 87 2HG2 VAL 87 -4.235 2.531 5.770 628 HG23 VAL 87 3HG2 VAL 87 -5.934 2.071 5.672 629 H GLN 88 H GLN 88 -4.870 5.049 9.598 630 HA GLN 88 HA GLN 88 -6.932 7.153 9.645 631 HB2 GLN 88 1HB GLN 88 -6.455 7.386 12.054 632 HB3 GLN 88 2HB GLN 88 -7.037 5.778 11.643 633 HG2 GLN 88 1HG GLN 88 -4.888 4.834 11.871 634 HG3 GLN 88 2HG GLN 88 -4.118 6.419 11.918 635 HE21 GLN 88 1HE2 GLN 88 -6.257 4.247 13.671 636 HE22 GLN 88 2HE2 GLN 88 -5.908 4.873 15.243 637 H GLY 89 H GLY 89 -3.499 6.429 9.928 638 HA2 GLY 89 1HA GLY 89 -2.944 9.260 9.339 639 HA3 GLY 89 2HA GLY 89 -2.093 8.461 10.652 640 H PHE 90 H PHE 90 -1.643 9.501 7.655 641 HA PHE 90 HA PHE 90 -0.136 7.180 6.703 642 HB2 PHE 90 1HB PHE 90 -0.128 9.612 5.049 643 HB3 PHE 90 2HB PHE 90 -0.470 7.944 4.601 644 HD1 PHE 90 2HD PHE 90 -2.765 7.144 5.995 645 HD2 PHE 90 1HD PHE 90 -1.841 11.015 4.487 646 HE1 PHE 90 2HE PHE 90 -5.166 7.668 5.879 647 HE2 PHE 90 1HE PHE 90 -4.240 11.546 4.370 648 HZ PHE 90 HZ PHE 90 -5.907 9.871 5.065 649 HA PRO 91 HA PRO 91 1.341 7.447 4.663 650 HB2 PRO 91 1HB PRO 91 3.679 6.068 4.607 651 HB3 PRO 91 2HB PRO 91 3.498 7.682 3.907 652 HG2 PRO 91 1HG PRO 91 4.650 6.883 6.552 653 HG3 PRO 91 2HG PRO 91 5.250 8.075 5.385 654 HD2 PRO 91 1HD PRO 91 3.866 8.777 7.604 655 HD3 PRO 91 2HD PRO 91 3.767 9.694 6.087 656 H THR 92 H THR 92 0.750 5.285 4.447 657 HA THR 92 HA THR 92 1.154 3.526 6.757 658 HB THR 92 HB THR 92 -1.535 4.124 5.512 659 HG1 THR 92 1HG THR 92 -0.423 4.551 8.097 660 HG21 THR 92 1HG2 THR 92 -2.481 2.380 6.738 661 HG22 THR 92 2HG2 THR 92 -1.077 2.233 7.795 662 HG23 THR 92 3HG2 THR 92 -0.986 1.673 6.125 663 H ILE 93 H ILE 93 2.317 1.950 5.826 664 HA ILE 93 HA ILE 93 1.610 0.994 3.161 665 HB ILE 93 HB ILE 93 3.909 0.208 4.956 666 HG12 ILE 93 1HG1 ILE 93 4.186 1.752 2.406 667 HG13 ILE 93 2HG1 ILE 93 3.709 2.599 3.873 668 HG21 ILE 93 1HG2 ILE 93 2.904 -0.847 2.414 669 HG22 ILE 93 2HG2 ILE 93 4.627 -0.478 2.423 670 HG23 ILE 93 3HG2 ILE 93 3.958 -1.591 3.616 671 HD11 ILE 93 1HD1 ILE 93 5.732 1.897 4.978 672 HD12 ILE 93 2HD1 ILE 93 6.197 0.937 3.573 673 HD13 ILE 93 3HD1 ILE 93 6.123 2.694 3.455 674 H LYS 94 H LYS 94 0.843 -1.022 2.711 675 HA LYS 94 HA LYS 94 0.377 -2.851 4.963 676 HB2 LYS 94 1HB LYS 94 -1.641 -1.847 2.967 677 HB3 LYS 94 2HB LYS 94 -1.868 -3.369 3.818 678 HG2 LYS 94 1HG LYS 94 -1.287 -0.909 5.391 679 HG3 LYS 94 2HG LYS 94 -2.906 -1.152 4.732 680 HD2 LYS 94 1HD LYS 94 -2.712 -3.509 5.798 681 HD3 LYS 94 2HD LYS 94 -1.419 -2.783 6.756 682 HE2 LYS 94 1HE LYS 94 -2.929 -1.117 7.617 683 HE3 LYS 94 2HE LYS 94 -4.218 -1.680 6.554 684 HZ1 LYS 94 1HZ LYS 94 -2.967 -3.425 8.594 685 HZ2 LYS 94 2HZ LYS 94 -4.417 -3.671 7.759 686 HZ3 LYS 94 3HZ LYS 94 -4.313 -2.457 8.932 687 H ILE 95 H ILE 95 0.612 -4.992 4.511 688 HA ILE 95 HA ILE 95 1.632 -5.638 1.842 689 HB ILE 95 HB ILE 95 1.835 -7.120 4.462 690 HG12 ILE 95 1HG1 ILE 95 4.169 -6.235 2.828 691 HG13 ILE 95 2HG1 ILE 95 3.286 -5.015 3.739 692 HG21 ILE 95 1HG2 ILE 95 1.768 -8.896 3.012 693 HG22 ILE 95 2HG2 ILE 95 2.444 -7.968 1.673 694 HG23 ILE 95 3HG2 ILE 95 3.490 -8.518 2.982 695 HD11 ILE 95 1HD1 ILE 95 5.222 -6.921 4.645 696 HD12 ILE 95 2HD1 ILE 95 4.506 -5.555 5.499 697 HD13 ILE 95 3HD1 ILE 95 3.704 -7.125 5.519 698 H PHE 96 H PHE 96 0.736 -7.177 0.544 699 HA PHE 96 HA PHE 96 -1.757 -8.427 1.494 700 HB2 PHE 96 1HB PHE 96 -1.126 -7.133 -1.149 701 HB3 PHE 96 2HB PHE 96 -2.414 -8.324 -1.001 702 HD1 PHE 96 1HD PHE 96 -1.222 -5.162 0.567 703 HD2 PHE 96 2HD PHE 96 -4.540 -7.611 -0.486 704 HE1 PHE 96 1HE PHE 96 -2.760 -3.397 1.323 705 HE2 PHE 96 2HE PHE 96 -6.083 -5.849 0.268 706 HZ PHE 96 HZ PHE 96 -5.194 -3.738 1.172 707 H GLY 97 H GLY 97 -1.810 -10.577 1.400 708 HA2 GLY 97 1HA GLY 97 -0.590 -12.077 -0.703 709 HA3 GLY 97 2HA GLY 97 0.343 -12.179 0.782 710 H ALA 98 H ALA 98 -0.567 -13.197 2.609 711 HA ALA 98 HA ALA 98 -1.905 -15.543 2.214 712 HB1 ALA 98 1HB ALA 98 -0.900 -14.210 4.401 713 HB2 ALA 98 2HB ALA 98 -2.618 -14.362 4.775 714 HB3 ALA 98 3HB ALA 98 -1.662 -15.800 4.416 715 H ASN 99 H ASN 99 -3.476 -12.690 3.678 716 HA ASN 99 HA ASN 99 -6.005 -13.590 2.460 717 HB2 ASN 99 1HB ASN 99 -5.857 -13.693 4.985 718 HB3 ASN 99 2HB ASN 99 -5.744 -11.936 4.974 719 HD21 ASN 99 1HD2 ASN 99 -7.677 -11.944 6.230 720 HD22 ASN 99 2HD2 ASN 99 -9.213 -12.141 5.463 721 H LYS 100 H LYS 100 -6.024 -12.379 0.620 722 HA LYS 100 HA LYS 100 -5.145 -9.757 0.315 723 HB2 LYS 100 1HB LYS 100 -7.195 -11.396 -1.154 724 HB3 LYS 100 2HB LYS 100 -6.859 -9.733 -1.616 725 HG2 LYS 100 1HG LYS 100 -4.795 -11.920 -1.484 726 HG3 LYS 100 2HG LYS 100 -5.621 -11.396 -2.954 727 HD2 LYS 100 1HD LYS 100 -4.719 -9.123 -2.610 728 HD3 LYS 100 2HD LYS 100 -3.841 -9.708 -1.194 729 HE2 LYS 100 1HE LYS 100 -3.498 -10.741 -4.008 730 HE3 LYS 100 2HE LYS 100 -2.428 -9.588 -3.213 731 HZ1 LYS 100 1HZ LYS 100 -1.346 -11.542 -2.813 732 HZ2 LYS 100 2HZ LYS 100 -2.764 -12.458 -2.716 733 HZ3 LYS 100 3HZ LYS 100 -2.310 -11.464 -1.425 734 H ASN 101 H ASN 101 -7.940 -10.962 1.888 735 HA ASN 101 HA ASN 101 -9.462 -8.518 1.682 736 HB2 ASN 101 1HB ASN 101 -9.854 -11.190 2.932 737 HB3 ASN 101 2HB ASN 101 -10.750 -9.839 3.619 738 HD21 ASN 101 1HD2 ASN 101 -10.131 -11.640 0.671 739 HD22 ASN 101 2HD2 ASN 101 -11.623 -11.245 -0.105 740 H LYS 102 H LYS 102 -7.213 -9.976 3.902 741 HA LYS 102 HA LYS 102 -7.335 -7.548 5.549 742 HB2 LYS 102 1HB LYS 102 -6.945 -10.277 6.763 743 HB3 LYS 102 2HB LYS 102 -7.272 -8.758 7.587 744 HG2 LYS 102 1HG LYS 102 -9.524 -8.725 6.669 745 HG3 LYS 102 2HG LYS 102 -9.200 -10.226 5.797 746 HD2 LYS 102 1HD LYS 102 -8.586 -11.115 8.188 747 HD3 LYS 102 2HD LYS 102 -9.596 -9.769 8.721 748 HE2 LYS 102 1HE LYS 102 -10.643 -11.560 6.591 749 HE3 LYS 102 2HE LYS 102 -10.602 -12.171 8.244 750 HZ1 LYS 102 1HZ LYS 102 -12.047 -9.798 7.220 751 HZ2 LYS 102 2HZ LYS 102 -11.802 -10.068 8.871 752 HZ3 LYS 102 3HZ LYS 102 -12.697 -11.175 7.957 753 HA PRO 103 HA PRO 103 -3.007 -8.142 4.268 754 HB2 PRO 103 1HB PRO 103 -2.375 -5.509 4.463 755 HB3 PRO 103 2HB PRO 103 -3.166 -6.205 3.044 756 HG2 PRO 103 1HG PRO 103 -4.369 -4.700 5.335 757 HG3 PRO 103 2HG PRO 103 -4.710 -4.557 3.601 758 HD2 PRO 103 1HD PRO 103 -6.310 -5.941 5.291 759 HD3 PRO 103 2HD PRO 103 -6.088 -6.404 3.591 760 H GLU 104 H GLU 104 -0.950 -7.379 5.343 761 HA GLU 104 HA GLU 104 -1.334 -7.337 8.262 762 HB2 GLU 104 1HB GLU 104 0.792 -8.457 8.475 763 HB3 GLU 104 2HB GLU 104 -0.214 -9.356 7.347 764 HG2 GLU 104 1HG GLU 104 1.021 -8.609 5.490 765 HG3 GLU 104 2HG GLU 104 1.830 -7.359 6.433 766 H ASP 105 H ASP 105 -0.272 -5.853 9.503 767 HA ASP 105 HA ASP 105 0.355 -3.367 8.439 768 HB2 ASP 105 1HB ASP 105 -0.073 -4.198 10.920 769 HB3 ASP 105 2HB ASP 105 1.688 -4.220 10.971 770 H TYR 106 H TYR 106 2.107 -2.494 7.525 771 HA TYR 106 HA TYR 106 4.370 -4.184 6.951 772 HB2 TYR 106 1HB TYR 106 3.576 -2.768 5.179 773 HB3 TYR 106 2HB TYR 106 3.707 -1.335 6.193 774 HD1 TYR 106 1HD TYR 106 5.888 -0.339 6.665 775 HD2 TYR 106 2HD TYR 106 5.526 -3.734 4.127 776 HE1 TYR 106 1HE TYR 106 8.171 0.046 5.834 777 HE2 TYR 106 2HE TYR 106 7.808 -3.360 3.290 778 HH TYR 106 HH TYR 106 10.039 -1.715 4.703 779 H GLN 107 H GLN 107 5.560 -4.520 8.778 780 HA GLN 107 HA GLN 107 6.441 -2.207 10.334 781 HB2 GLN 107 1HB GLN 107 5.565 -4.495 11.280 782 HB3 GLN 107 2HB GLN 107 7.215 -5.025 10.979 783 HG2 GLN 107 1HG GLN 107 7.023 -4.325 13.257 784 HG3 GLN 107 2HG GLN 107 8.029 -3.168 12.387 785 HE21 GLN 107 1HE2 GLN 107 4.659 -3.724 13.329 786 HE22 GLN 107 2HE2 GLN 107 4.292 -2.066 13.645 787 H GLY 108 H GLY 108 7.496 -2.226 7.799 788 HA2 GLY 108 1HA GLY 108 10.276 -3.130 8.232 789 HA3 GLY 108 2HA GLY 108 9.520 -2.999 6.651 790 H GLY 109 H GLY 109 11.698 -1.774 6.483 791 HA2 GLY 109 1HA GLY 109 11.712 0.891 7.585 792 HA3 GLY 109 2HA GLY 109 12.877 0.221 6.454 793 H ARG 110 H ARG 110 11.335 2.812 6.565 794 HA ARG 110 HA ARG 110 9.622 2.698 4.240 795 HB2 ARG 110 1HB ARG 110 10.588 5.052 5.873 796 HB3 ARG 110 2HB ARG 110 9.384 5.134 4.595 797 HG2 ARG 110 1HG ARG 110 8.223 3.277 6.093 798 HG3 ARG 110 2HG ARG 110 9.159 4.084 7.353 799 HD2 ARG 110 1HD ARG 110 7.335 5.517 5.430 800 HD3 ARG 110 2HD ARG 110 6.840 4.972 7.032 801 HE ARG 110 HE ARG 110 8.540 7.222 6.402 802 HH11 ARG 110 2HH1 ARG 110 7.472 4.979 8.841 803 HH12 ARG 110 1HH1 ARG 110 7.907 6.009 10.164 804 HH21 ARG 110 2HH2 ARG 110 9.117 8.587 8.136 805 HH22 ARG 110 1HH2 ARG 110 8.842 8.061 9.762 806 H THR 111 H THR 111 12.315 1.886 3.775 807 HA THR 111 HA THR 111 13.169 3.995 1.902 808 HB THR 111 HB THR 111 15.506 2.897 2.201 809 HG1 THR 111 1HG THR 111 15.338 1.274 3.580 810 HG21 THR 111 1HG2 THR 111 14.342 4.575 4.428 811 HG22 THR 111 2HG2 THR 111 14.913 5.196 2.879 812 HG23 THR 111 3HG2 THR 111 16.047 4.441 3.998 813 H GLY 112 H GLY 112 13.420 3.400 -0.171 814 HA2 GLY 112 1HA GLY 112 12.352 1.286 -1.392 815 HA3 GLY 112 2HA GLY 112 13.844 2.000 -1.986 816 H GLU 113 H GLU 113 15.573 1.229 0.085 817 HA GLU 113 HA GLU 113 16.255 -1.377 -0.750 818 HB2 GLU 113 1HB GLU 113 17.707 -1.142 1.491 819 HB3 GLU 113 2HB GLU 113 18.136 -0.339 -0.012 820 HG2 GLU 113 1HG GLU 113 17.583 1.722 0.762 821 HG3 GLU 113 2HG GLU 113 16.334 1.105 1.842 822 H ALA 114 H ALA 114 15.182 -0.253 2.464 823 HA ALA 114 HA ALA 114 14.910 -2.694 3.704 824 HB1 ALA 114 1HB ALA 114 13.709 -1.616 5.349 825 HB2 ALA 114 2HB ALA 114 14.556 -0.269 4.587 826 HB3 ALA 114 3HB ALA 114 12.863 -0.578 4.201 827 H ILE 115 H ILE 115 12.333 -0.919 1.988 828 HA ILE 115 HA ILE 115 10.280 -2.718 2.225 829 HB ILE 115 HB ILE 115 10.929 -1.116 -0.252 830 HG12 ILE 115 1HG1 ILE 115 8.931 -0.252 1.788 831 HG13 ILE 115 2HG1 ILE 115 10.638 -0.028 2.157 832 HG21 ILE 115 1HG2 ILE 115 9.018 -1.826 -1.142 833 HG22 ILE 115 2HG2 ILE 115 8.963 -3.041 0.134 834 HG23 ILE 115 3HG2 ILE 115 8.129 -1.501 0.346 835 HD11 ILE 115 1HD1 ILE 115 9.441 0.958 -0.405 836 HD12 ILE 115 2HD1 ILE 115 9.393 1.909 1.079 837 HD13 ILE 115 3HD1 ILE 115 10.943 1.448 0.377 838 H VAL 116 H VAL 116 12.814 -2.698 -0.268 839 HA VAL 116 HA VAL 116 11.973 -4.806 -1.831 840 HB VAL 116 HB VAL 116 14.810 -4.094 -1.079 841 HG11 VAL 116 1HG1 VAL 116 14.427 -5.308 -3.681 842 HG12 VAL 116 2HG1 VAL 116 15.569 -5.719 -2.400 843 HG13 VAL 116 3HG1 VAL 116 13.935 -6.383 -2.372 844 HG21 VAL 116 1HG2 VAL 116 12.952 -2.611 -2.471 845 HG22 VAL 116 2HG2 VAL 116 14.703 -2.417 -2.552 846 HG23 VAL 116 3HG2 VAL 116 13.870 -3.412 -3.747 847 H ASP 117 H ASP 117 13.765 -4.904 1.212 848 HA ASP 117 HA ASP 117 14.142 -7.737 1.177 849 HB2 ASP 117 1HB ASP 117 15.456 -5.901 2.486 850 HB3 ASP 117 2HB ASP 117 14.188 -6.101 3.692 851 H ALA 118 H ALA 118 11.741 -5.554 2.518 852 HA ALA 118 HA ALA 118 10.417 -7.437 4.162 853 HB1 ALA 118 1HB ALA 118 10.247 -4.805 3.986 854 HB2 ALA 118 2HB ALA 118 8.885 -5.206 2.939 855 HB3 ALA 118 3HB ALA 118 8.914 -5.781 4.606 856 H ALA 119 H ALA 119 9.756 -6.289 0.861 857 HA ALA 119 HA ALA 119 7.450 -7.776 0.378 858 HB1 ALA 119 1HB ALA 119 9.356 -7.382 -1.862 859 HB2 ALA 119 2HB ALA 119 7.620 -7.080 -1.783 860 HB3 ALA 119 3HB ALA 119 8.747 -5.947 -1.037 861 H LEU 120 H LEU 120 10.851 -8.626 -0.199 862 HA LEU 120 HA LEU 120 10.410 -11.118 -1.396 863 HB2 LEU 120 1HB LEU 120 12.716 -10.143 0.280 864 HB3 LEU 120 2HB LEU 120 12.726 -11.644 -0.643 865 HG LEU 120 HG LEU 120 12.199 -9.061 -2.049 866 HD11 LEU 120 1HD1 LEU 120 14.193 -8.219 -1.579 867 HD12 LEU 120 2HD1 LEU 120 14.948 -9.656 -2.268 868 HD13 LEU 120 3HD1 LEU 120 14.563 -9.601 -0.548 869 HD21 LEU 120 1HD2 LEU 120 13.796 -10.564 -3.625 870 HD22 LEU 120 2HD2 LEU 120 12.034 -10.651 -3.636 871 HD23 LEU 120 3HD2 LEU 120 12.970 -11.824 -2.709 872 H SER 121 H SER 121 11.286 -10.426 1.995 873 HA SER 121 HA SER 121 11.206 -12.908 3.082 874 HB2 SER 121 1HB SER 121 11.480 -10.527 4.181 875 HB3 SER 121 2HB SER 121 9.770 -10.736 4.561 876 HG SER 121 HG SER 121 10.247 -12.292 5.934 877 H ALA 122 H ALA 122 8.385 -10.837 2.485 878 HA ALA 122 HA ALA 122 6.478 -12.681 3.487 879 HB1 ALA 122 1HB ALA 122 4.990 -11.184 1.839 880 HB2 ALA 122 2HB ALA 122 5.520 -10.633 3.429 881 HB3 ALA 122 3HB ALA 122 6.404 -10.139 1.985 882 H LEU 123 H LEU 123 7.508 -11.868 0.178 883 HA LEU 123 HA LEU 123 5.868 -13.423 -1.327 884 HB2 LEU 123 1HB LEU 123 7.854 -11.958 -2.027 885 HB3 LEU 123 2HB LEU 123 8.827 -13.414 -1.826 886 HG LEU 123 HG LEU 123 8.199 -12.979 -4.172 887 HD11 LEU 123 1HD1 LEU 123 6.680 -15.426 -3.599 888 HD12 LEU 123 2HD1 LEU 123 8.283 -15.349 -2.868 889 HD13 LEU 123 3HD1 LEU 123 8.101 -15.178 -4.614 890 HD21 LEU 123 1HD2 LEU 123 5.382 -13.555 -3.265 891 HD22 LEU 123 2HD2 LEU 123 5.922 -13.215 -4.909 892 HD23 LEU 123 3HD2 LEU 123 5.996 -11.954 -3.678 893 H ARG 124 H ARG 124 9.008 -14.577 -0.076 894 HA ARG 124 HA ARG 124 8.627 -17.262 -0.774 895 HB2 ARG 124 1HB ARG 124 10.534 -17.743 0.541 896 HB3 ARG 124 2HB ARG 124 10.792 -16.124 -0.095 897 HG2 ARG 124 1HG ARG 124 10.460 -15.120 1.964 898 HG3 ARG 124 2HG ARG 124 9.574 -16.504 2.606 899 HD2 ARG 124 1HD ARG 124 11.750 -17.799 2.400 900 HD3 ARG 124 2HD ARG 124 12.531 -16.242 2.128 901 HE ARG 124 HE ARG 124 12.428 -15.890 4.372 902 HH11 ARG 124 2HH1 ARG 124 9.945 -18.171 3.508 903 HH12 ARG 124 1HH1 ARG 124 9.434 -18.432 5.143 904 HH21 ARG 124 2HH2 ARG 124 11.764 -16.225 6.528 905 HH22 ARG 124 1HH2 ARG 124 10.469 -17.324 6.860 906 H SER 125 H SER 125 7.499 -15.406 1.936 907 HA SER 125 HA SER 125 6.987 -17.394 3.805 908 HB2 SER 125 1HB SER 125 6.675 -14.808 3.945 909 HB3 SER 125 2HB SER 125 5.039 -15.146 3.380 910 HG SER 125 HG SER 125 6.063 -15.428 5.843 911 H GLY 126 H GLY 126 4.813 -16.153 1.265 912 HA2 GLY 126 1HA GLY 126 2.856 -18.210 1.804 913 HA3 GLY 126 2HA GLY 126 2.771 -16.991 0.541 914 HA PRO 127 HA PRO 127 4.712 -21.222 -0.875 915 HB2 PRO 127 1HB PRO 127 2.680 -23.018 -0.761 916 HB3 PRO 127 2HB PRO 127 3.841 -22.797 0.553 917 HG2 PRO 127 1HG PRO 127 1.067 -21.707 0.273 918 HG3 PRO 127 2HG PRO 127 1.854 -22.409 1.698 919 HD2 PRO 127 1HD PRO 127 1.601 -19.737 1.343 920 HD3 PRO 127 2HD PRO 127 2.982 -20.461 2.191 921 H SER 128 H SER 128 2.315 -19.117 -1.597 922 HA SER 128 HA SER 128 0.674 -19.895 -3.522 923 HB2 SER 128 1HB SER 128 2.555 -17.616 -4.126 924 HB3 SER 128 2HB SER 128 0.855 -17.775 -4.567 925 HG SER 128 HG SER 128 0.451 -17.737 -2.231 926 H SER 129 H SER 129 4.099 -19.215 -4.251 927 HA SER 129 HA SER 129 4.163 -21.410 -6.137 928 HB2 SER 129 1HB SER 129 3.267 -19.533 -7.488 929 HB3 SER 129 2HB SER 129 4.698 -18.584 -7.086 930 HG SER 129 HG SER 129 4.437 -20.212 -9.093 931 H GLY 130 H GLY 130 6.299 -21.973 -6.803 932 HA2 GLY 130 1HA GLY 130 8.485 -20.542 -5.467 933 HA3 GLY 130 2HA GLY 130 8.265 -22.248 -5.111 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -20.808 -0.260 -3.861 2 HA2 GLY 1 1HA GLY 1 -21.921 0.124 -1.596 3 HA3 GLY 1 2HA GLY 1 -20.366 0.809 -1.148 4 H SER 2 H SER 2 -22.637 2.310 -0.896 5 HA SER 2 HA SER 2 -22.844 4.025 -3.239 6 HB2 SER 2 1HB SER 2 -24.270 4.146 -0.570 7 HB3 SER 2 2HB SER 2 -24.616 5.179 -1.958 8 HG SER 2 HG SER 2 -25.943 3.637 -2.484 9 H SER 3 H SER 3 -20.311 4.113 -2.254 10 HA SER 3 HA SER 3 -20.194 6.804 -1.064 11 HB2 SER 3 1HB SER 3 -18.040 6.038 0.044 12 HB3 SER 3 2HB SER 3 -19.523 5.344 0.699 13 HG SER 3 HG SER 3 -17.460 4.025 -0.129 14 H GLY 4 H GLY 4 -19.261 8.202 -2.393 15 HA2 GLY 4 1HA GLY 4 -16.798 7.653 -3.722 16 HA3 GLY 4 2HA GLY 4 -18.145 7.626 -4.850 17 H SER 5 H SER 5 -16.037 9.583 -2.968 18 HA SER 5 HA SER 5 -17.325 11.991 -4.075 19 HB2 SER 5 1HB SER 5 -17.491 11.618 -1.516 20 HB3 SER 5 2HB SER 5 -15.777 12.033 -1.494 21 HG SER 5 HG SER 5 -16.807 13.889 -2.930 22 H SER 6 H SER 6 -16.067 13.169 -5.354 23 HA SER 6 HA SER 6 -13.272 12.465 -5.645 24 HB2 SER 6 1HB SER 6 -15.067 14.372 -7.157 25 HB3 SER 6 2HB SER 6 -13.360 14.137 -7.534 26 HG SER 6 HG SER 6 -15.441 12.659 -8.292 27 H GLY 7 H GLY 7 -12.063 13.259 -4.000 28 HA2 GLY 7 1HA GLY 7 -12.449 16.008 -3.108 29 HA3 GLY 7 2HA GLY 7 -11.372 14.820 -2.389 30 H ALA 8 H ALA 8 -9.778 14.045 -4.415 31 HA ALA 8 HA ALA 8 -8.678 16.481 -5.617 32 HB1 ALA 8 1HB ALA 8 -6.905 16.544 -4.288 33 HB2 ALA 8 2HB ALA 8 -7.556 15.192 -3.361 34 HB3 ALA 8 3HB ALA 8 -6.492 14.888 -4.734 35 H VAL 9 H VAL 9 -6.862 15.915 -7.173 36 HA VAL 9 HA VAL 9 -7.329 13.300 -8.440 37 HB VAL 9 HB VAL 9 -6.927 15.830 -10.027 38 HG11 VAL 9 1HG1 VAL 9 -6.596 13.272 -10.794 39 HG12 VAL 9 2HG1 VAL 9 -8.316 13.475 -11.134 40 HG13 VAL 9 3HG1 VAL 9 -7.135 14.554 -11.878 41 HG21 VAL 9 1HG2 VAL 9 -9.567 14.463 -9.547 42 HG22 VAL 9 2HG2 VAL 9 -9.032 15.885 -8.651 43 HG23 VAL 9 3HG2 VAL 9 -9.273 15.981 -10.395 44 H SER 10 H SER 10 -5.209 16.148 -8.297 45 HA SER 10 HA SER 10 -3.013 15.281 -9.657 46 HB2 SER 10 1HB SER 10 -3.318 16.986 -7.212 47 HB3 SER 10 2HB SER 10 -1.700 16.557 -7.767 48 HG SER 10 HG SER 10 -3.645 17.663 -9.496 49 H GLY 11 H GLY 11 -1.546 13.709 -9.468 50 HA2 GLY 11 1HA GLY 11 -1.438 12.240 -6.904 51 HA3 GLY 11 2HA GLY 11 -1.345 11.442 -8.468 52 H LEU 12 H LEU 12 0.519 11.704 -6.071 53 HA LEU 12 HA LEU 12 2.790 13.171 -6.935 54 HB2 LEU 12 1HB LEU 12 2.721 10.842 -5.027 55 HB3 LEU 12 2HB LEU 12 3.969 12.081 -5.145 56 HG LEU 12 HG LEU 12 1.126 12.609 -4.287 57 HD11 LEU 12 1HD1 LEU 12 1.938 12.694 -2.030 58 HD12 LEU 12 2HD1 LEU 12 3.587 12.369 -2.565 59 HD13 LEU 12 3HD1 LEU 12 2.348 11.124 -2.721 60 HD21 LEU 12 1HD2 LEU 12 2.689 14.601 -3.294 61 HD22 LEU 12 2HD2 LEU 12 1.760 14.701 -4.790 62 HD23 LEU 12 3HD2 LEU 12 3.472 14.278 -4.840 63 H TYR 13 H TYR 13 2.212 9.652 -6.790 64 HA TYR 13 HA TYR 13 4.529 9.031 -8.326 65 HB2 TYR 13 1HB TYR 13 2.108 7.338 -7.676 66 HB3 TYR 13 2HB TYR 13 3.610 6.736 -8.368 67 HD1 TYR 13 2HD TYR 13 2.117 8.277 -5.354 68 HD2 TYR 13 1HD TYR 13 5.482 6.256 -6.995 69 HE1 TYR 13 2HE TYR 13 3.024 7.960 -3.089 70 HE2 TYR 13 1HE TYR 13 6.397 5.932 -4.736 71 HH TYR 13 HH TYR 13 5.158 7.553 -2.001 72 H SER 14 H SER 14 4.425 7.797 -10.389 73 HA SER 14 HA SER 14 2.225 8.695 -12.122 74 HB2 SER 14 1HB SER 14 5.188 8.871 -12.700 75 HB3 SER 14 2HB SER 14 3.941 9.056 -13.933 76 HG SER 14 HG SER 14 4.735 11.046 -12.931 77 H SER 15 H SER 15 1.510 7.238 -13.598 78 HA SER 15 HA SER 15 1.866 4.534 -13.219 79 HB2 SER 15 1HB SER 15 0.085 5.796 -14.610 80 HB3 SER 15 2HB SER 15 1.227 5.640 -15.944 81 HG SER 15 HG SER 15 0.682 3.340 -14.480 82 H SER 16 H SER 16 3.694 6.728 -15.255 83 HA SER 16 HA SER 16 5.061 4.960 -16.878 84 HB2 SER 16 1HB SER 16 6.897 6.680 -16.877 85 HB3 SER 16 2HB SER 16 5.294 7.331 -17.216 86 HG SER 16 HG SER 16 6.338 8.634 -15.705 87 H ASP 17 H ASP 17 5.896 6.020 -13.595 88 HA ASP 17 HA ASP 17 8.317 4.674 -13.328 89 HB2 ASP 17 1HB ASP 17 6.447 4.871 -10.998 90 HB3 ASP 17 2HB ASP 17 8.186 5.142 -11.059 91 H ASP 18 H ASP 18 8.357 2.917 -11.351 92 HA ASP 18 HA ASP 18 7.250 0.549 -12.563 93 HB2 ASP 18 1HB ASP 18 8.802 0.808 -9.980 94 HB3 ASP 18 2HB ASP 18 8.517 -0.672 -10.891 95 H VAL 19 H VAL 19 6.381 2.698 -10.027 96 HA VAL 19 HA VAL 19 4.799 0.906 -8.483 97 HB VAL 19 HB VAL 19 4.620 3.915 -8.697 98 HG11 VAL 19 1HG1 VAL 19 3.023 3.917 -7.126 99 HG12 VAL 19 2HG1 VAL 19 2.766 2.236 -7.595 100 HG13 VAL 19 3HG1 VAL 19 3.789 2.620 -6.211 101 HG21 VAL 19 1HG2 VAL 19 6.818 3.197 -7.968 102 HG22 VAL 19 2HG2 VAL 19 5.936 3.905 -6.614 103 HG23 VAL 19 3HG2 VAL 19 6.096 2.153 -6.743 104 H ILE 20 H ILE 20 2.713 0.311 -8.674 105 HA ILE 20 HA ILE 20 1.324 1.074 -11.124 106 HB ILE 20 HB ILE 20 0.752 -1.078 -9.088 107 HG12 ILE 20 1HG1 ILE 20 1.444 -1.398 -12.004 108 HG13 ILE 20 2HG1 ILE 20 2.685 -1.297 -10.760 109 HG21 ILE 20 1HG2 ILE 20 -0.730 -0.521 -11.653 110 HG22 ILE 20 2HG2 ILE 20 -1.059 -1.813 -10.500 111 HG23 ILE 20 3HG2 ILE 20 -1.325 -0.132 -10.040 112 HD11 ILE 20 1HD1 ILE 20 1.836 -3.280 -9.695 113 HD12 ILE 20 2HD1 ILE 20 0.489 -3.351 -10.832 114 HD13 ILE 20 3HD1 ILE 20 2.139 -3.605 -11.401 115 H GLU 21 H GLU 21 -0.162 2.615 -11.125 116 HA GLU 21 HA GLU 21 -1.063 3.892 -8.767 117 HB2 GLU 21 1HB GLU 21 -0.869 4.923 -11.070 118 HB3 GLU 21 2HB GLU 21 -2.346 4.069 -11.493 119 HG2 GLU 21 1HG GLU 21 -3.562 5.263 -9.770 120 HG3 GLU 21 2HG GLU 21 -2.083 6.080 -9.269 121 H LEU 22 H LEU 22 -2.094 2.469 -7.403 122 HA LEU 22 HA LEU 22 -4.229 0.774 -8.310 123 HB2 LEU 22 1HB LEU 22 -3.115 1.462 -5.608 124 HB3 LEU 22 2HB LEU 22 -4.552 0.458 -5.794 125 HG LEU 22 HG LEU 22 -1.799 -0.185 -6.853 126 HD11 LEU 22 1HD1 LEU 22 -3.215 -1.778 -4.776 127 HD12 LEU 22 2HD1 LEU 22 -2.396 -0.291 -4.298 128 HD13 LEU 22 3HD1 LEU 22 -1.487 -1.587 -5.073 129 HD21 LEU 22 1HD2 LEU 22 -3.402 -1.137 -8.323 130 HD22 LEU 22 2HD2 LEU 22 -4.421 -1.661 -6.982 131 HD23 LEU 22 3HD2 LEU 22 -2.856 -2.430 -7.256 132 H THR 23 H THR 23 -6.404 1.048 -8.083 133 HA THR 23 HA THR 23 -7.371 3.508 -6.811 134 HB THR 23 HB THR 23 -8.483 4.323 -8.633 135 HG1 THR 23 1HG THR 23 -8.576 1.638 -9.571 136 HG21 THR 23 1HG2 THR 23 -6.191 2.759 -9.813 137 HG22 THR 23 2HG2 THR 23 -6.203 4.450 -9.310 138 HG23 THR 23 3HG2 THR 23 -7.127 3.944 -10.724 139 HA PRO 24 HA PRO 24 -10.628 1.052 -5.193 140 HB2 PRO 24 1HB PRO 24 -12.741 2.753 -5.276 141 HB3 PRO 24 2HB PRO 24 -11.402 2.940 -4.138 142 HG2 PRO 24 1HG PRO 24 -11.893 4.349 -6.733 143 HG3 PRO 24 2HG PRO 24 -11.334 5.014 -5.188 144 HD2 PRO 24 1HD PRO 24 -9.647 4.468 -7.234 145 HD3 PRO 24 2HD PRO 24 -9.162 4.324 -5.532 146 H SER 25 H SER 25 -10.263 1.303 -8.297 147 HA SER 25 HA SER 25 -12.901 0.169 -8.965 148 HB2 SER 25 1HB SER 25 -11.210 2.149 -10.407 149 HB3 SER 25 2HB SER 25 -12.071 0.960 -11.385 150 HG SER 25 HG SER 25 -13.711 2.243 -11.136 151 H ASN 26 H ASN 26 -9.470 -0.159 -9.059 152 HA ASN 26 HA ASN 26 -9.774 -2.742 -10.444 153 HB2 ASN 26 1HB ASN 26 -7.224 -2.241 -10.999 154 HB3 ASN 26 2HB ASN 26 -8.524 -1.638 -12.023 155 HD21 ASN 26 1HD2 ASN 26 -5.942 -0.836 -9.941 156 HD22 ASN 26 2HD2 ASN 26 -6.088 0.883 -10.047 157 H PHE 27 H PHE 27 -8.679 -1.038 -7.702 158 HA PHE 27 HA PHE 27 -6.584 -2.295 -6.622 159 HB2 PHE 27 1HB PHE 27 -8.057 -0.626 -5.464 160 HB3 PHE 27 2HB PHE 27 -9.165 -1.942 -5.089 161 HD1 PHE 27 1HD PHE 27 -8.032 -4.009 -3.895 162 HD2 PHE 27 2HD PHE 27 -6.489 -0.042 -3.897 163 HE1 PHE 27 1HE PHE 27 -6.746 -4.512 -1.859 164 HE2 PHE 27 2HE PHE 27 -5.200 -0.539 -1.861 165 HZ PHE 27 HZ PHE 27 -5.326 -2.777 -0.840 166 H ASN 28 H ASN 28 -9.689 -3.761 -7.233 167 HA ASN 28 HA ASN 28 -9.028 -6.183 -5.785 168 HB2 ASN 28 1HB ASN 28 -11.357 -5.307 -5.864 169 HB3 ASN 28 2HB ASN 28 -11.385 -5.620 -7.597 170 HD21 ASN 28 1HD2 ASN 28 -11.046 -7.854 -8.278 171 HD22 ASN 28 2HD2 ASN 28 -11.640 -9.127 -7.271 172 H ARG 29 H ARG 29 -9.414 -5.149 -9.151 173 HA ARG 29 HA ARG 29 -8.752 -7.740 -10.205 174 HB2 ARG 29 1HB ARG 29 -9.298 -5.040 -11.375 175 HB3 ARG 29 2HB ARG 29 -8.531 -6.269 -12.371 176 HG2 ARG 29 1HG ARG 29 -10.745 -6.586 -12.872 177 HG3 ARG 29 2HG ARG 29 -10.512 -7.758 -11.573 178 HD2 ARG 29 1HD ARG 29 -11.513 -6.292 -9.976 179 HD3 ARG 29 2HD ARG 29 -11.539 -4.962 -11.133 180 HE ARG 29 HE ARG 29 -13.455 -5.833 -12.047 181 HH11 ARG 29 2HH1 ARG 29 -11.979 -8.206 -9.970 182 HH12 ARG 29 1HH1 ARG 29 -13.326 -9.294 -10.038 183 HH21 ARG 29 2HH2 ARG 29 -15.234 -7.257 -12.145 184 HH22 ARG 29 1HH2 ARG 29 -15.176 -8.753 -11.277 185 H GLU 30 H GLU 30 -6.945 -5.346 -8.796 186 HA GLU 30 HA GLU 30 -4.563 -5.948 -10.412 187 HB2 GLU 30 1HB GLU 30 -5.411 -3.593 -8.801 188 HB3 GLU 30 2HB GLU 30 -3.692 -3.953 -8.875 189 HG2 GLU 30 1HG GLU 30 -5.278 -3.820 -11.395 190 HG3 GLU 30 2HG GLU 30 -4.775 -2.332 -10.596 191 H VAL 31 H VAL 31 -5.604 -5.539 -7.033 192 HA VAL 31 HA VAL 31 -3.271 -7.072 -6.147 193 HB VAL 31 HB VAL 31 -5.310 -5.530 -4.536 194 HG11 VAL 31 1HG1 VAL 31 -2.777 -6.918 -3.666 195 HG12 VAL 31 2HG1 VAL 31 -3.778 -5.881 -2.648 196 HG13 VAL 31 3HG1 VAL 31 -4.425 -7.401 -3.265 197 HG21 VAL 31 1HG2 VAL 31 -2.453 -4.756 -4.652 198 HG22 VAL 31 2HG2 VAL 31 -3.436 -4.426 -6.079 199 HG23 VAL 31 3HG2 VAL 31 -3.896 -3.751 -4.516 200 H ILE 32 H ILE 32 -6.715 -6.935 -5.215 201 HA ILE 32 HA ILE 32 -6.892 -9.365 -3.945 202 HB ILE 32 HB ILE 32 -9.048 -8.156 -5.681 203 HG12 ILE 32 1HG1 ILE 32 -8.144 -6.544 -4.045 204 HG13 ILE 32 2HG1 ILE 32 -9.798 -7.007 -3.660 205 HG21 ILE 32 1HG2 ILE 32 -10.606 -9.413 -4.438 206 HG22 ILE 32 2HG2 ILE 32 -9.319 -10.541 -4.864 207 HG23 ILE 32 3HG2 ILE 32 -9.398 -9.868 -3.236 208 HD11 ILE 32 1HD1 ILE 32 -8.279 -6.858 -1.701 209 HD12 ILE 32 2HD1 ILE 32 -9.059 -8.428 -1.895 210 HD13 ILE 32 3HD1 ILE 32 -7.372 -8.217 -2.363 211 H GLN 33 H GLN 33 -6.925 -8.699 -7.389 212 HA GLN 33 HA GLN 33 -7.422 -11.516 -7.991 213 HB2 GLN 33 1HB GLN 33 -7.318 -9.035 -9.697 214 HB3 GLN 33 2HB GLN 33 -7.380 -10.649 -10.392 215 HG2 GLN 33 1HG GLN 33 -9.471 -9.111 -8.970 216 HG3 GLN 33 2HG GLN 33 -9.592 -10.147 -10.391 217 HE21 GLN 33 1HE2 GLN 33 -9.799 -9.955 -6.975 218 HE22 GLN 33 2HE2 GLN 33 -10.279 -11.589 -6.688 219 H SER 34 H SER 34 -4.932 -10.649 -6.745 220 HA SER 34 HA SER 34 -3.068 -11.542 -8.843 221 HB2 SER 34 1HB SER 34 -2.690 -9.162 -8.411 222 HB3 SER 34 2HB SER 34 -2.521 -9.487 -6.686 223 HG SER 34 HG SER 34 -0.804 -11.064 -7.659 224 H ASP 35 H ASP 35 -2.822 -13.633 -8.266 225 HA ASP 35 HA ASP 35 -2.880 -14.719 -5.719 226 HB2 ASP 35 1HB ASP 35 -2.942 -16.021 -7.840 227 HB3 ASP 35 2HB ASP 35 -1.219 -15.715 -8.042 228 H GLY 36 H GLY 36 -0.340 -12.985 -7.329 229 HA2 GLY 36 1HA GLY 36 1.765 -13.864 -5.579 230 HA3 GLY 36 2HA GLY 36 1.851 -12.542 -6.734 231 H LEU 37 H LEU 37 3.130 -11.762 -4.749 232 HA LEU 37 HA LEU 37 1.512 -10.764 -2.570 233 HB2 LEU 37 1HB LEU 37 4.034 -11.566 -2.627 234 HB3 LEU 37 2HB LEU 37 4.314 -9.867 -3.001 235 HG LEU 37 HG LEU 37 2.985 -9.360 -0.879 236 HD11 LEU 37 1HD1 LEU 37 2.042 -11.077 0.160 237 HD12 LEU 37 2HD1 LEU 37 3.658 -11.653 0.568 238 HD13 LEU 37 3HD1 LEU 37 2.859 -12.232 -0.894 239 HD21 LEU 37 1HD2 LEU 37 5.553 -9.386 -1.284 240 HD22 LEU 37 2HD2 LEU 37 5.515 -10.833 -0.276 241 HD23 LEU 37 3HD2 LEU 37 4.930 -9.296 0.364 242 H TRP 38 H TRP 38 1.088 -8.609 -2.103 243 HA TRP 38 HA TRP 38 1.726 -6.648 -4.194 244 HB2 TRP 38 1HB TRP 38 -0.931 -7.600 -3.372 245 HB3 TRP 38 2HB TRP 38 -0.768 -5.846 -3.392 246 HD1 TRP 38 HD TRP 38 -0.848 -8.875 -5.704 247 HE1 TRP 38 1HE TRP 38 -1.067 -8.059 -8.136 248 HE3 TRP 38 3HE TRP 38 -0.195 -3.862 -4.941 249 HZ2 TRP 38 2HZ TRP 38 -0.976 -5.614 -9.544 250 HZ3 TRP 38 3HZ TRP 38 -0.275 -2.353 -6.883 251 HH2 TRP 38 HH TRP 38 -0.657 -3.213 -9.136 252 H LEU 39 H LEU 39 2.405 -4.736 -3.435 253 HA LEU 39 HA LEU 39 2.146 -4.251 -0.542 254 HB2 LEU 39 1HB LEU 39 4.348 -3.869 -2.472 255 HB3 LEU 39 2HB LEU 39 4.145 -2.604 -1.262 256 HG LEU 39 HG LEU 39 4.533 -5.530 -0.635 257 HD11 LEU 39 1HD1 LEU 39 6.453 -4.111 -1.734 258 HD12 LEU 39 2HD1 LEU 39 6.778 -5.187 -0.376 259 HD13 LEU 39 3HD1 LEU 39 6.597 -3.455 -0.103 260 HD21 LEU 39 1HD2 LEU 39 5.242 -4.158 1.577 261 HD22 LEU 39 2HD2 LEU 39 3.630 -4.821 1.304 262 HD23 LEU 39 3HD2 LEU 39 3.956 -3.122 0.958 263 H VAL 40 H VAL 40 0.383 -2.975 -0.358 264 HA VAL 40 HA VAL 40 0.128 -0.655 -2.136 265 HB VAL 40 HB VAL 40 -1.891 -1.666 -0.134 266 HG11 VAL 40 1HG1 VAL 40 -3.237 -0.379 -2.137 267 HG12 VAL 40 2HG1 VAL 40 -2.794 0.334 -0.585 268 HG13 VAL 40 3HG1 VAL 40 -1.766 0.584 -1.996 269 HG21 VAL 40 1HG2 VAL 40 -3.034 -2.486 -2.297 270 HG22 VAL 40 2HG2 VAL 40 -1.418 -2.404 -3.000 271 HG23 VAL 40 3HG2 VAL 40 -1.726 -3.453 -1.616 272 H GLU 41 H GLU 41 0.682 1.303 -1.454 273 HA GLU 41 HA GLU 41 0.910 1.761 1.448 274 HB2 GLU 41 1HB GLU 41 3.100 1.919 0.667 275 HB3 GLU 41 2HB GLU 41 2.610 2.662 -0.849 276 HG2 GLU 41 1HG GLU 41 1.977 4.246 1.528 277 HG3 GLU 41 2HG GLU 41 3.699 3.980 1.260 278 H PHE 42 H PHE 42 -0.437 3.207 2.272 279 HA PHE 42 HA PHE 42 -1.960 4.924 0.479 280 HB2 PHE 42 1HB PHE 42 -2.251 4.430 3.450 281 HB3 PHE 42 2HB PHE 42 -3.352 5.386 2.464 282 HD1 PHE 42 1HD PHE 42 -2.076 1.987 3.091 283 HD2 PHE 42 2HD PHE 42 -5.016 4.359 1.129 284 HE1 PHE 42 1HE PHE 42 -3.364 -0.044 2.573 285 HE2 PHE 42 2HE PHE 42 -6.309 2.332 0.609 286 HZ PHE 42 HZ PHE 42 -5.484 0.127 1.331 287 H TYR 43 H TYR 43 -0.780 6.673 -0.087 288 HA TYR 43 HA TYR 43 0.550 8.202 2.040 289 HB2 TYR 43 1HB TYR 43 1.960 9.139 0.395 290 HB3 TYR 43 2HB TYR 43 1.824 7.440 -0.041 291 HD1 TYR 43 1HD TYR 43 0.589 10.834 -0.870 292 HD2 TYR 43 2HD TYR 43 0.961 6.790 -2.141 293 HE1 TYR 43 1HE TYR 43 -0.159 11.479 -3.123 294 HE2 TYR 43 2HE TYR 43 0.215 7.424 -4.397 295 HH TYR 43 HH TYR 43 -0.090 9.222 -5.798 296 H ALA 44 H ALA 44 0.602 10.666 1.436 297 HA ALA 44 HA ALA 44 -2.061 11.528 0.543 298 HB1 ALA 44 1HB ALA 44 -0.777 12.024 3.180 299 HB2 ALA 44 2HB ALA 44 -1.760 13.304 2.467 300 HB3 ALA 44 3HB ALA 44 -2.469 11.720 2.784 301 HA PRO 45 HA PRO 45 0.562 14.212 -1.861 302 HB2 PRO 45 1HB PRO 45 -1.459 15.487 -3.151 303 HB3 PRO 45 2HB PRO 45 -0.919 13.860 -3.583 304 HG2 PRO 45 1HG PRO 45 -3.259 14.699 -1.916 305 HG3 PRO 45 2HG PRO 45 -3.168 13.443 -3.164 306 HD2 PRO 45 1HD PRO 45 -3.073 12.877 -0.518 307 HD3 PRO 45 2HD PRO 45 -2.208 11.913 -1.732 308 H TRP 46 H TRP 46 -1.199 14.935 0.803 309 HA TRP 46 HA TRP 46 -0.666 17.824 0.563 310 HB2 TRP 46 1HB TRP 46 -2.463 18.135 2.267 311 HB3 TRP 46 2HB TRP 46 -3.044 17.454 0.750 312 HD1 TRP 46 HD TRP 46 -4.477 15.333 0.949 313 HE1 TRP 46 1HE TRP 46 -4.989 13.634 2.813 314 HE3 TRP 46 3HE TRP 46 -1.186 16.996 4.490 315 HZ2 TRP 46 2HZ TRP 46 -4.114 13.073 5.437 316 HZ3 TRP 46 3HZ TRP 46 -1.086 15.823 6.651 317 HH2 TRP 46 HH TRP 46 -2.521 13.903 7.113 318 H CYS 47 H CYS 47 0.117 14.951 2.163 319 HA CYS 47 HA CYS 47 0.980 16.220 4.625 320 HB2 CYS 47 1HB CYS 47 0.061 13.753 4.192 321 HB3 CYS 47 2HB CYS 47 1.774 13.429 3.951 322 HG CYS 47 HG CYS 47 0.117 14.197 6.786 323 H GLY 48 H GLY 48 3.293 15.353 5.359 324 HA2 GLY 48 1HA GLY 48 5.135 16.333 3.288 325 HA3 GLY 48 2HA GLY 48 5.446 16.333 5.017 326 H HIS 49 H HIS 49 5.497 14.069 6.013 327 HA HIS 49 HA HIS 49 7.631 12.644 5.050 328 HB2 HIS 49 1HB HIS 49 6.644 10.696 6.407 329 HB3 HIS 49 2HB HIS 49 6.991 12.194 7.266 330 HD1 HIS 49 1HD HIS 49 5.240 12.304 9.022 331 HD2 HIS 49 2HD HIS 49 3.668 11.292 5.311 332 HE1 HIS 49 1HE HIS 49 2.746 12.253 9.339 333 HE2 HIS 49 2HE HIS 49 1.821 11.556 7.103 334 H CYS 50 H CYS 50 4.435 12.667 3.846 335 HA CYS 50 HA CYS 50 4.572 10.088 2.563 336 HB2 CYS 50 1HB CYS 50 2.604 12.363 2.495 337 HB3 CYS 50 2HB CYS 50 2.467 11.005 1.385 338 HG CYS 50 HG CYS 50 1.302 11.243 4.388 339 H GLN 51 H GLN 51 4.619 13.476 1.476 340 HA GLN 51 HA GLN 51 5.018 12.929 -1.250 341 HB2 GLN 51 1HB GLN 51 5.857 15.359 0.341 342 HB3 GLN 51 2HB GLN 51 5.768 15.272 -1.413 343 HG2 GLN 51 1HG GLN 51 3.431 15.132 -1.401 344 HG3 GLN 51 2HG GLN 51 3.379 14.743 0.318 345 HE21 GLN 51 1HE2 GLN 51 1.756 16.540 0.134 346 HE22 GLN 51 2HE2 GLN 51 2.339 18.149 0.374 347 H ARG 52 H ARG 52 7.181 12.904 1.446 348 HA ARG 52 HA ARG 52 9.559 12.995 -0.223 349 HB2 ARG 52 1HB ARG 52 10.791 12.814 1.891 350 HB3 ARG 52 2HB ARG 52 9.609 14.115 1.947 351 HG2 ARG 52 1HG ARG 52 9.244 13.164 3.980 352 HG3 ARG 52 2HG ARG 52 8.096 12.240 3.009 353 HD2 ARG 52 1HD ARG 52 9.146 10.529 4.097 354 HD3 ARG 52 2HD ARG 52 10.181 10.660 2.675 355 HE ARG 52 HE ARG 52 11.369 12.317 4.446 356 HH11 ARG 52 2HH1 ARG 52 10.298 9.010 4.626 357 HH12 ARG 52 1HH1 ARG 52 11.513 8.542 5.769 358 HH21 ARG 52 2HH2 ARG 52 12.974 11.713 5.951 359 HH22 ARG 52 1HH2 ARG 52 13.034 10.080 6.522 360 H LEU 53 H LEU 53 7.334 10.693 0.575 361 HA LEU 53 HA LEU 53 9.277 8.501 0.692 362 HB2 LEU 53 1HB LEU 53 7.405 8.624 2.344 363 HB3 LEU 53 2HB LEU 53 6.283 8.375 1.008 364 HG LEU 53 HG LEU 53 7.323 6.170 0.593 365 HD11 LEU 53 1HD1 LEU 53 8.613 5.960 3.178 366 HD12 LEU 53 2HD1 LEU 53 9.391 7.158 2.143 367 HD13 LEU 53 3HD1 LEU 53 9.199 5.498 1.579 368 HD21 LEU 53 1HD2 LEU 53 6.582 6.130 3.468 369 HD22 LEU 53 2HD2 LEU 53 6.019 5.118 2.137 370 HD23 LEU 53 3HD2 LEU 53 5.400 6.760 2.320 371 H THR 54 H THR 54 8.011 10.232 -1.659 372 HA THR 54 HA THR 54 6.756 8.370 -3.375 373 HB THR 54 HB THR 54 8.312 10.574 -4.608 374 HG1 THR 54 1HG THR 54 6.386 10.932 -2.585 375 HG21 THR 54 1HG2 THR 54 5.512 10.658 -5.110 376 HG22 THR 54 2HG2 THR 54 6.039 8.977 -5.203 377 HG23 THR 54 3HG2 THR 54 6.812 10.201 -6.210 378 HA PRO 55 HA PRO 55 11.148 7.953 -5.391 379 HB2 PRO 55 1HB PRO 55 13.252 8.759 -3.877 380 HB3 PRO 55 2HB PRO 55 12.409 9.833 -4.999 381 HG2 PRO 55 1HG PRO 55 12.105 9.578 -2.032 382 HG3 PRO 55 2HG PRO 55 12.176 11.044 -3.027 383 HD2 PRO 55 1HD PRO 55 9.845 10.023 -2.102 384 HD3 PRO 55 2HD PRO 55 9.964 10.878 -3.654 385 H GLU 56 H GLU 56 10.962 7.631 -1.871 386 HA GLU 56 HA GLU 56 12.699 5.394 -1.687 387 HB2 GLU 56 1HB GLU 56 10.520 6.308 0.200 388 HB3 GLU 56 2HB GLU 56 11.763 5.125 0.580 389 HG2 GLU 56 1HG GLU 56 13.443 6.712 0.645 390 HG3 GLU 56 2HG GLU 56 12.525 7.869 -0.317 391 H TRP 57 H TRP 57 9.181 5.725 -1.909 392 HA TRP 57 HA TRP 57 8.643 2.941 -1.679 393 HB2 TRP 57 1HB TRP 57 7.010 4.831 -1.245 394 HB3 TRP 57 2HB TRP 57 6.872 5.004 -2.993 395 HD1 TRP 57 HD TRP 57 4.755 3.870 -3.844 396 HE1 TRP 57 1HE TRP 57 3.413 1.757 -3.247 397 HE3 TRP 57 3HE TRP 57 7.601 2.174 0.050 398 HZ2 TRP 57 2HZ TRP 57 3.543 -0.350 -1.373 399 HZ3 TRP 57 3HZ TRP 57 6.923 0.103 1.191 400 HH2 TRP 57 HH TRP 57 4.935 -1.131 0.494 401 H LYS 58 H LYS 58 8.883 5.160 -4.439 402 HA LYS 58 HA LYS 58 8.214 3.369 -6.465 403 HB2 LYS 58 1HB LYS 58 9.934 5.829 -6.382 404 HB3 LYS 58 2HB LYS 58 9.797 4.889 -7.862 405 HG2 LYS 58 1HG LYS 58 7.329 5.173 -7.738 406 HG3 LYS 58 2HG LYS 58 7.573 6.255 -6.365 407 HD2 LYS 58 1HD LYS 58 9.137 7.561 -7.925 408 HD3 LYS 58 2HD LYS 58 8.391 6.636 -9.230 409 HE2 LYS 58 1HE LYS 58 6.288 7.578 -8.851 410 HE3 LYS 58 2HE LYS 58 6.722 8.122 -7.231 411 HZ1 LYS 58 1HZ LYS 58 6.822 10.061 -8.424 412 HZ2 LYS 58 2HZ LYS 58 7.393 9.316 -9.831 413 HZ3 LYS 58 3HZ LYS 58 8.435 9.558 -8.520 414 H LYS 59 H LYS 59 11.390 4.105 -5.059 415 HA LYS 59 HA LYS 59 13.032 2.610 -6.669 416 HB2 LYS 59 1HB LYS 59 13.104 3.293 -3.758 417 HB3 LYS 59 2HB LYS 59 14.294 2.168 -4.398 418 HG2 LYS 59 1HG LYS 59 14.894 3.905 -6.096 419 HG3 LYS 59 2HG LYS 59 13.845 5.024 -5.223 420 HD2 LYS 59 1HD LYS 59 16.079 3.533 -3.872 421 HD3 LYS 59 2HD LYS 59 16.330 5.090 -4.663 422 HE2 LYS 59 1HE LYS 59 14.435 5.963 -3.221 423 HE3 LYS 59 2HE LYS 59 14.564 4.459 -2.311 424 HZ1 LYS 59 1HZ LYS 59 16.094 5.514 -1.116 425 HZ2 LYS 59 2HZ LYS 59 16.230 6.784 -2.225 426 HZ3 LYS 59 3HZ LYS 59 17.127 5.367 -2.448 427 H ALA 60 H ALA 60 11.253 1.464 -3.808 428 HA ALA 60 HA ALA 60 12.108 -1.207 -3.934 429 HB1 ALA 60 1HB ALA 60 9.395 -0.488 -2.908 430 HB2 ALA 60 2HB ALA 60 10.562 -1.650 -2.276 431 HB3 ALA 60 3HB ALA 60 10.838 0.080 -2.067 432 H ALA 61 H ALA 61 9.430 0.474 -5.484 433 HA ALA 61 HA ALA 61 8.068 -1.782 -6.470 434 HB1 ALA 61 1HB ALA 61 6.785 0.110 -6.603 435 HB2 ALA 61 2HB ALA 61 8.122 1.112 -7.169 436 HB3 ALA 61 3HB ALA 61 7.338 -0.018 -8.273 437 H THR 62 H THR 62 10.752 0.106 -7.754 438 HA THR 62 HA THR 62 10.803 -1.017 -10.337 439 HB THR 62 HB THR 62 13.140 0.078 -8.759 440 HG1 THR 62 1HG THR 62 11.059 1.386 -9.312 441 HG21 THR 62 1HG2 THR 62 14.129 0.517 -10.949 442 HG22 THR 62 2HG2 THR 62 12.729 -0.207 -11.739 443 HG23 THR 62 3HG2 THR 62 13.796 -1.203 -10.750 444 H ALA 63 H ALA 63 12.335 -1.980 -7.304 445 HA ALA 63 HA ALA 63 13.809 -4.137 -8.500 446 HB1 ALA 63 1HB ALA 63 13.704 -2.832 -5.945 447 HB2 ALA 63 2HB ALA 63 13.637 -4.583 -5.740 448 HB3 ALA 63 3HB ALA 63 14.971 -3.851 -6.631 449 H LEU 64 H LEU 64 10.903 -3.875 -6.474 450 HA LEU 64 HA LEU 64 10.409 -6.725 -6.675 451 HB2 LEU 64 1HB LEU 64 8.516 -4.702 -5.530 452 HB3 LEU 64 2HB LEU 64 8.678 -6.410 -5.129 453 HG LEU 64 HG LEU 64 10.816 -4.393 -4.488 454 HD11 LEU 64 1HD1 LEU 64 9.009 -3.532 -3.293 455 HD12 LEU 64 2HD1 LEU 64 9.817 -4.590 -2.136 456 HD13 LEU 64 3HD1 LEU 64 8.350 -5.132 -2.952 457 HD21 LEU 64 1HD2 LEU 64 11.014 -7.047 -4.517 458 HD22 LEU 64 2HD2 LEU 64 10.307 -6.852 -2.913 459 HD23 LEU 64 3HD2 LEU 64 11.828 -6.051 -3.310 460 H LYS 65 H LYS 65 10.056 -4.322 -8.789 461 HA LYS 65 HA LYS 65 7.490 -4.194 -9.707 462 HB2 LYS 65 1HB LYS 65 8.976 -2.881 -10.903 463 HB3 LYS 65 2HB LYS 65 10.137 -4.188 -11.098 464 HG2 LYS 65 1HG LYS 65 8.536 -5.274 -12.674 465 HG3 LYS 65 2HG LYS 65 7.540 -3.820 -12.572 466 HD2 LYS 65 1HD LYS 65 8.787 -3.333 -14.432 467 HD3 LYS 65 2HD LYS 65 9.807 -2.626 -13.177 468 HE2 LYS 65 1HE LYS 65 11.392 -4.273 -13.348 469 HE3 LYS 65 2HE LYS 65 10.235 -5.478 -13.913 470 HZ1 LYS 65 1HZ LYS 65 11.575 -4.956 -15.749 471 HZ2 LYS 65 2HZ LYS 65 11.491 -3.292 -15.464 472 HZ3 LYS 65 3HZ LYS 65 10.128 -4.123 -16.021 473 H ASP 66 H ASP 66 9.854 -6.741 -10.441 474 HA ASP 66 HA ASP 66 7.774 -8.303 -11.771 475 HB2 ASP 66 1HB ASP 66 10.765 -8.490 -11.625 476 HB3 ASP 66 2HB ASP 66 9.816 -9.891 -12.114 477 H VAL 67 H VAL 67 9.417 -8.078 -8.771 478 HA VAL 67 HA VAL 67 8.870 -10.813 -7.980 479 HB VAL 67 HB VAL 67 9.708 -8.688 -6.046 480 HG11 VAL 67 1HG1 VAL 67 9.368 -10.785 -5.042 481 HG12 VAL 67 2HG1 VAL 67 10.167 -11.641 -6.362 482 HG13 VAL 67 3HG1 VAL 67 11.114 -10.655 -5.248 483 HG21 VAL 67 1HG2 VAL 67 11.404 -9.900 -8.212 484 HG22 VAL 67 2HG2 VAL 67 11.189 -8.196 -7.812 485 HG23 VAL 67 3HG2 VAL 67 12.093 -9.249 -6.724 486 H VAL 68 H VAL 68 8.104 -7.726 -6.373 487 HA VAL 68 HA VAL 68 5.448 -8.833 -5.726 488 HB VAL 68 HB VAL 68 7.077 -6.911 -4.058 489 HG11 VAL 68 1HG1 VAL 68 4.282 -7.870 -3.933 490 HG12 VAL 68 2HG1 VAL 68 5.162 -7.780 -2.406 491 HG13 VAL 68 3HG1 VAL 68 4.982 -6.339 -3.408 492 HG21 VAL 68 1HG2 VAL 68 8.092 -9.044 -3.877 493 HG22 VAL 68 2HG2 VAL 68 7.089 -8.851 -2.439 494 HG23 VAL 68 3HG2 VAL 68 6.530 -9.858 -3.775 495 H LYS 69 H LYS 69 3.742 -7.708 -6.400 496 HA LYS 69 HA LYS 69 4.047 -5.380 -7.991 497 HB2 LYS 69 1HB LYS 69 1.657 -6.835 -6.882 498 HB3 LYS 69 2HB LYS 69 1.480 -5.345 -7.801 499 HG2 LYS 69 1HG LYS 69 3.068 -7.587 -8.954 500 HG3 LYS 69 2HG LYS 69 1.305 -7.662 -8.982 501 HD2 LYS 69 1HD LYS 69 1.142 -5.706 -10.288 502 HD3 LYS 69 2HD LYS 69 2.824 -5.267 -9.981 503 HE2 LYS 69 1HE LYS 69 3.523 -7.291 -11.239 504 HE3 LYS 69 2HE LYS 69 1.830 -7.590 -11.628 505 HZ1 LYS 69 1HZ LYS 69 3.336 -5.141 -12.371 506 HZ2 LYS 69 2HZ LYS 69 1.741 -5.502 -12.801 507 HZ3 LYS 69 3HZ LYS 69 3.014 -6.434 -13.413 508 H VAL 70 H VAL 70 4.855 -3.630 -6.940 509 HA VAL 70 HA VAL 70 3.685 -2.795 -4.404 510 HB VAL 70 HB VAL 70 5.967 -1.608 -5.990 511 HG11 VAL 70 1HG1 VAL 70 4.445 -0.260 -4.210 512 HG12 VAL 70 2HG1 VAL 70 5.655 -0.963 -3.136 513 HG13 VAL 70 3HG1 VAL 70 6.158 0.057 -4.485 514 HG21 VAL 70 1HG2 VAL 70 7.110 -2.512 -3.755 515 HG22 VAL 70 2HG2 VAL 70 5.785 -3.670 -3.871 516 HG23 VAL 70 3HG2 VAL 70 6.932 -3.507 -5.201 517 H GLY 71 H GLY 71 1.703 -1.918 -4.770 518 HA2 GLY 71 1HA GLY 71 1.350 -0.002 -6.942 519 HA3 GLY 71 2HA GLY 71 0.086 -0.645 -5.904 520 H ALA 72 H ALA 72 -0.546 1.678 -5.923 521 HA ALA 72 HA ALA 72 0.355 2.918 -3.494 522 HB1 ALA 72 1HB ALA 72 2.084 3.866 -4.738 523 HB2 ALA 72 2HB ALA 72 1.059 4.114 -6.152 524 HB3 ALA 72 3HB ALA 72 0.844 5.120 -4.719 525 H VAL 73 H VAL 73 -1.416 3.675 -2.556 526 HA VAL 73 HA VAL 73 -3.606 4.661 -4.267 527 HB VAL 73 HB VAL 73 -3.670 2.939 -1.826 528 HG11 VAL 73 1HG1 VAL 73 -6.233 3.568 -1.901 529 HG12 VAL 73 2HG1 VAL 73 -5.087 4.495 -0.932 530 HG13 VAL 73 3HG1 VAL 73 -5.599 5.097 -2.509 531 HG21 VAL 73 1HG2 VAL 73 -5.589 1.951 -3.201 532 HG22 VAL 73 2HG2 VAL 73 -5.001 2.967 -4.518 533 HG23 VAL 73 3HG2 VAL 73 -3.950 1.736 -3.817 534 H ASN 74 H ASN 74 -4.124 6.726 -3.996 535 HA ASN 74 HA ASN 74 -2.852 8.334 -2.017 536 HB2 ASN 74 1HB ASN 74 -3.353 9.280 -4.188 537 HB3 ASN 74 2HB ASN 74 -5.071 8.958 -3.975 538 HD21 ASN 74 1HD2 ASN 74 -4.967 11.336 -4.555 539 HD22 ASN 74 2HD2 ASN 74 -4.899 12.443 -3.230 540 H ALA 75 H ALA 75 -3.494 7.501 -0.011 541 HA ALA 75 HA ALA 75 -5.936 6.842 0.953 542 HB1 ALA 75 1HB ALA 75 -4.935 6.863 2.948 543 HB2 ALA 75 2HB ALA 75 -3.491 7.388 2.082 544 HB3 ALA 75 3HB ALA 75 -4.550 8.580 2.834 545 H ASP 76 H ASP 76 -4.715 10.124 0.481 546 HA ASP 76 HA ASP 76 -6.824 11.507 1.706 547 HB2 ASP 76 1HB ASP 76 -4.698 12.574 1.083 548 HB3 ASP 76 2HB ASP 76 -5.097 12.378 -0.622 549 H LYS 77 H LYS 77 -6.361 10.530 -1.677 550 HA LYS 77 HA LYS 77 -8.934 11.550 -2.470 551 HB2 LYS 77 1HB LYS 77 -7.229 11.614 -4.129 552 HB3 LYS 77 2HB LYS 77 -6.826 9.920 -3.880 553 HG2 LYS 77 1HG LYS 77 -9.298 9.530 -4.642 554 HG3 LYS 77 2HG LYS 77 -9.106 11.129 -5.365 555 HD2 LYS 77 1HD LYS 77 -7.050 8.998 -5.816 556 HD3 LYS 77 2HD LYS 77 -8.534 9.028 -6.771 557 HE2 LYS 77 1HE LYS 77 -6.889 11.507 -6.485 558 HE3 LYS 77 2HE LYS 77 -6.403 10.259 -7.631 559 HZ1 LYS 77 1HZ LYS 77 -8.978 10.507 -8.238 560 HZ2 LYS 77 2HZ LYS 77 -7.758 11.405 -8.990 561 HZ3 LYS 77 3HZ LYS 77 -8.656 12.088 -7.729 562 H HIS 78 H HIS 78 -7.519 8.272 -2.443 563 HA HIS 78 HA HIS 78 -10.137 7.070 -2.621 564 HB2 HIS 78 1HB HIS 78 -7.455 5.744 -2.180 565 HB3 HIS 78 2HB HIS 78 -8.950 4.946 -2.659 566 HD1 HIS 78 1HD HIS 78 -9.855 6.808 -4.919 567 HD2 HIS 78 2HD HIS 78 -5.947 5.488 -4.426 568 HE1 HIS 78 1HE HIS 78 -8.794 6.989 -7.191 569 HE2 HIS 78 2HE HIS 78 -6.455 6.105 -6.887 570 H GLN 79 H GLN 79 -9.894 8.659 -0.336 571 HA GLN 79 HA GLN 79 -9.104 7.632 2.033 572 HB2 GLN 79 1HB GLN 79 -11.523 9.193 1.247 573 HB3 GLN 79 2HB GLN 79 -11.420 8.580 2.892 574 HG2 GLN 79 1HG GLN 79 -9.171 10.145 1.693 575 HG3 GLN 79 2HG GLN 79 -10.573 10.952 2.395 576 HE21 GLN 79 1HE2 GLN 79 -7.549 10.246 3.060 577 HE22 GLN 79 2HE2 GLN 79 -7.630 9.959 4.762 578 H SER 80 H SER 80 -11.859 6.557 0.133 579 HA SER 80 HA SER 80 -13.092 4.910 2.022 580 HB2 SER 80 1HB SER 80 -12.984 4.870 -0.984 581 HB3 SER 80 2HB SER 80 -13.833 3.603 -0.097 582 HG SER 80 HG SER 80 -15.157 5.179 0.810 583 H LEU 81 H LEU 81 -10.629 4.098 -0.415 584 HA LEU 81 HA LEU 81 -10.369 1.390 0.211 585 HB2 LEU 81 1HB LEU 81 -8.368 3.356 -0.883 586 HB3 LEU 81 2HB LEU 81 -8.072 1.622 -0.775 587 HG LEU 81 HG LEU 81 -10.250 2.921 -2.412 588 HD11 LEU 81 1HD1 LEU 81 -7.835 1.511 -3.485 589 HD12 LEU 81 2HD1 LEU 81 -7.796 3.234 -3.113 590 HD13 LEU 81 3HD1 LEU 81 -8.938 2.616 -4.307 591 HD21 LEU 81 1HD2 LEU 81 -10.021 0.303 -1.437 592 HD22 LEU 81 2HD2 LEU 81 -9.556 0.231 -3.137 593 HD23 LEU 81 3HD2 LEU 81 -11.124 0.898 -2.678 594 H GLY 82 H GLY 82 -8.446 4.158 1.378 595 HA2 GLY 82 1HA GLY 82 -6.769 2.715 3.095 596 HA3 GLY 82 2HA GLY 82 -7.166 4.419 3.264 597 H GLY 83 H GLY 83 -9.611 4.665 4.038 598 HA2 GLY 83 1HA GLY 83 -9.678 3.818 6.700 599 HA3 GLY 83 2HA GLY 83 -11.051 4.461 5.812 600 H GLN 84 H GLN 84 -11.045 2.351 3.816 601 HA GLN 84 HA GLN 84 -12.802 0.551 5.032 602 HB2 GLN 84 1HB GLN 84 -12.864 0.918 2.648 603 HB3 GLN 84 2HB GLN 84 -11.224 0.309 2.468 604 HG2 GLN 84 1HG GLN 84 -11.914 -1.909 3.026 605 HG3 GLN 84 2HG GLN 84 -13.531 -1.350 3.454 606 HE21 GLN 84 1HE2 GLN 84 -11.253 -1.501 0.754 607 HE22 GLN 84 2HE2 GLN 84 -12.450 -1.695 -0.476 608 H TYR 85 H TYR 85 -9.430 0.688 5.170 609 HA TYR 85 HA TYR 85 -9.249 -2.147 5.942 610 HB2 TYR 85 1HB TYR 85 -7.223 -0.221 4.836 611 HB3 TYR 85 2HB TYR 85 -6.717 -1.668 5.701 612 HD1 TYR 85 1HD TYR 85 -9.214 -0.824 3.040 613 HD2 TYR 85 2HD TYR 85 -6.114 -3.427 4.351 614 HE1 TYR 85 1HE TYR 85 -9.448 -2.134 0.972 615 HE2 TYR 85 2HE TYR 85 -6.339 -4.744 2.286 616 HH TYR 85 HH TYR 85 -8.190 -5.175 0.570 617 H GLY 86 H GLY 86 -8.439 1.149 6.910 618 HA2 GLY 86 1HA GLY 86 -8.881 1.428 9.404 619 HA3 GLY 86 2HA GLY 86 -7.711 0.128 9.581 620 H VAL 87 H VAL 87 -7.316 2.543 7.111 621 HA VAL 87 HA VAL 87 -4.772 3.312 8.214 622 HB VAL 87 HB VAL 87 -6.238 4.395 5.803 623 HG11 VAL 87 1HG1 VAL 87 -3.290 4.583 6.127 624 HG12 VAL 87 2HG1 VAL 87 -4.406 5.649 5.272 625 HG13 VAL 87 3HG1 VAL 87 -4.299 5.711 7.031 626 HG21 VAL 87 1HG2 VAL 87 -5.620 2.555 4.726 627 HG22 VAL 87 2HG2 VAL 87 -3.934 2.849 5.155 628 HG23 VAL 87 3HG2 VAL 87 -4.965 1.902 6.228 629 H GLN 88 H GLN 88 -4.428 4.913 9.597 630 HA GLN 88 HA GLN 88 -6.364 7.130 9.698 631 HB2 GLN 88 1HB GLN 88 -5.963 7.257 12.137 632 HB3 GLN 88 2HB GLN 88 -6.705 5.739 11.648 633 HG2 GLN 88 1HG GLN 88 -5.124 4.965 13.086 634 HG3 GLN 88 2HG GLN 88 -4.212 4.918 11.578 635 HE21 GLN 88 1HE2 GLN 88 -4.975 7.183 14.203 636 HE22 GLN 88 2HE2 GLN 88 -3.384 7.845 14.324 637 H GLY 89 H GLY 89 -3.037 6.075 9.964 638 HA2 GLY 89 1HA GLY 89 -2.208 8.896 9.706 639 HA3 GLY 89 2HA GLY 89 -1.387 7.813 10.819 640 H PHE 90 H PHE 90 -1.184 9.195 7.853 641 HA PHE 90 HA PHE 90 0.161 6.932 6.578 642 HB2 PHE 90 1HB PHE 90 0.060 9.519 5.162 643 HB3 PHE 90 2HB PHE 90 -0.306 7.899 4.579 644 HD1 PHE 90 2HD PHE 90 -2.414 7.107 6.507 645 HD2 PHE 90 1HD PHE 90 -1.762 10.771 4.442 646 HE1 PHE 90 2HE PHE 90 -4.820 7.604 6.639 647 HE2 PHE 90 1HE PHE 90 -4.167 11.275 4.571 648 HZ PHE 90 HZ PHE 90 -5.700 9.690 5.669 649 HA PRO 91 HA PRO 91 1.484 7.199 4.502 650 HB2 PRO 91 1HB PRO 91 3.754 5.733 4.234 651 HB3 PRO 91 2HB PRO 91 3.588 7.373 3.594 652 HG2 PRO 91 1HG PRO 91 4.898 6.450 6.122 653 HG3 PRO 91 2HG PRO 91 5.458 7.653 4.946 654 HD2 PRO 91 1HD PRO 91 4.272 8.341 7.281 655 HD3 PRO 91 2HD PRO 91 4.099 9.307 5.801 656 H THR 92 H THR 92 0.632 5.161 4.360 657 HA THR 92 HA THR 92 1.106 3.345 6.632 658 HB THR 92 HB THR 92 -1.526 4.041 5.330 659 HG1 THR 92 1HG THR 92 -1.525 5.292 7.040 660 HG21 THR 92 1HG2 THR 92 -1.257 1.571 5.628 661 HG22 THR 92 2HG2 THR 92 -2.567 2.275 6.577 662 HG23 THR 92 3HG2 THR 92 -1.040 1.857 7.353 663 H ILE 93 H ILE 93 2.321 1.783 5.728 664 HA ILE 93 HA ILE 93 1.675 0.786 3.066 665 HB ILE 93 HB ILE 93 3.926 0.013 4.926 666 HG12 ILE 93 1HG1 ILE 93 3.959 1.761 2.456 667 HG13 ILE 93 2HG1 ILE 93 4.018 2.359 4.111 668 HG21 ILE 93 1HG2 ILE 93 3.711 -0.572 1.986 669 HG22 ILE 93 2HG2 ILE 93 4.854 -1.234 3.154 670 HG23 ILE 93 3HG2 ILE 93 3.155 -1.699 3.223 671 HD11 ILE 93 1HD1 ILE 93 6.170 1.617 4.440 672 HD12 ILE 93 2HD1 ILE 93 6.060 0.404 3.164 673 HD13 ILE 93 3HD1 ILE 93 6.202 2.112 2.747 674 H LYS 94 H LYS 94 0.674 -1.088 2.661 675 HA LYS 94 HA LYS 94 0.251 -2.955 4.899 676 HB2 LYS 94 1HB LYS 94 -1.739 -1.896 2.907 677 HB3 LYS 94 2HB LYS 94 -1.997 -3.434 3.720 678 HG2 LYS 94 1HG LYS 94 -1.455 -0.920 5.259 679 HG3 LYS 94 2HG LYS 94 -3.080 -1.352 4.721 680 HD2 LYS 94 1HD LYS 94 -2.640 -3.612 5.855 681 HD3 LYS 94 2HD LYS 94 -1.289 -2.800 6.648 682 HE2 LYS 94 1HE LYS 94 -2.963 -1.045 7.384 683 HE3 LYS 94 2HE LYS 94 -4.221 -2.153 6.838 684 HZ1 LYS 94 1HZ LYS 94 -2.930 -3.814 8.352 685 HZ2 LYS 94 2HZ LYS 94 -4.039 -2.731 9.027 686 HZ3 LYS 94 3HZ LYS 94 -2.382 -2.404 9.110 687 H ILE 95 H ILE 95 0.819 -4.992 4.491 688 HA ILE 95 HA ILE 95 1.718 -5.691 1.820 689 HB ILE 95 HB ILE 95 1.865 -7.195 4.433 690 HG12 ILE 95 1HG1 ILE 95 4.192 -6.175 2.837 691 HG13 ILE 95 2HG1 ILE 95 3.308 -5.082 3.897 692 HG21 ILE 95 1HG2 ILE 95 2.156 -9.038 3.224 693 HG22 ILE 95 2HG2 ILE 95 2.174 -8.123 1.717 694 HG23 ILE 95 3HG2 ILE 95 3.661 -8.328 2.641 695 HD11 ILE 95 1HD1 ILE 95 5.200 -7.213 4.541 696 HD12 ILE 95 2HD1 ILE 95 4.770 -5.757 5.440 697 HD13 ILE 95 3HD1 ILE 95 3.751 -7.192 5.546 698 H PHE 96 H PHE 96 0.837 -7.227 0.509 699 HA PHE 96 HA PHE 96 -1.687 -8.449 1.415 700 HB2 PHE 96 1HB PHE 96 -0.970 -7.175 -1.211 701 HB3 PHE 96 2HB PHE 96 -2.247 -8.384 -1.118 702 HD1 PHE 96 1HD PHE 96 -1.166 -5.213 0.512 703 HD2 PHE 96 2HD PHE 96 -4.402 -7.694 -0.706 704 HE1 PHE 96 1HE PHE 96 -2.758 -3.469 1.203 705 HE2 PHE 96 2HE PHE 96 -6.000 -5.954 -0.019 706 HZ PHE 96 HZ PHE 96 -5.179 -3.838 0.937 707 H GLY 97 H GLY 97 -1.753 -10.599 1.361 708 HA2 GLY 97 1HA GLY 97 -0.520 -12.153 -0.688 709 HA3 GLY 97 2HA GLY 97 0.406 -12.225 0.804 710 H ALA 98 H ALA 98 -0.419 -13.317 2.580 711 HA ALA 98 HA ALA 98 -1.767 -15.627 2.277 712 HB1 ALA 98 1HB ALA 98 -0.819 -14.246 4.431 713 HB2 ALA 98 2HB ALA 98 -2.550 -14.300 4.764 714 HB3 ALA 98 3HB ALA 98 -1.654 -15.797 4.507 715 H ASN 99 H ASN 99 -3.477 -12.863 3.740 716 HA ASN 99 HA ASN 99 -5.927 -13.800 2.401 717 HB2 ASN 99 1HB ASN 99 -5.883 -13.901 4.918 718 HB3 ASN 99 2HB ASN 99 -5.769 -12.144 4.924 719 HD21 ASN 99 1HD2 ASN 99 -7.683 -11.603 5.777 720 HD22 ASN 99 2HD2 ASN 99 -9.216 -12.007 5.090 721 H LYS 100 H LYS 100 -5.746 -12.592 0.529 722 HA LYS 100 HA LYS 100 -4.978 -9.960 0.247 723 HB2 LYS 100 1HB LYS 100 -6.868 -11.711 -1.281 724 HB3 LYS 100 2HB LYS 100 -6.718 -10.013 -1.714 725 HG2 LYS 100 1HG LYS 100 -4.492 -12.039 -1.661 726 HG3 LYS 100 2HG LYS 100 -5.276 -11.376 -3.097 727 HD2 LYS 100 1HD LYS 100 -4.537 -9.090 -2.227 728 HD3 LYS 100 2HD LYS 100 -3.486 -9.982 -1.125 729 HE2 LYS 100 1HE LYS 100 -3.474 -10.290 -4.124 730 HE3 LYS 100 2HE LYS 100 -2.366 -9.256 -3.224 731 HZ1 LYS 100 1HZ LYS 100 -1.068 -11.029 -3.045 732 HZ2 LYS 100 2HZ LYS 100 -2.257 -12.067 -3.653 733 HZ3 LYS 100 3HZ LYS 100 -2.213 -11.707 -2.001 734 H ASN 101 H ASN 101 -7.763 -11.187 1.788 735 HA ASN 101 HA ASN 101 -9.391 -8.837 1.465 736 HB2 ASN 101 1HB ASN 101 -9.622 -11.411 2.960 737 HB3 ASN 101 2HB ASN 101 -10.625 -10.057 3.471 738 HD21 ASN 101 1HD2 ASN 101 -9.945 -12.330 0.938 739 HD22 ASN 101 2HD2 ASN 101 -11.383 -12.049 0.022 740 H LYS 102 H LYS 102 -7.091 -10.052 3.796 741 HA LYS 102 HA LYS 102 -7.241 -7.487 5.209 742 HB2 LYS 102 1HB LYS 102 -6.954 -10.098 6.690 743 HB3 LYS 102 2HB LYS 102 -7.231 -8.497 7.364 744 HG2 LYS 102 1HG LYS 102 -9.462 -8.484 6.280 745 HG3 LYS 102 2HG LYS 102 -9.176 -10.148 5.766 746 HD2 LYS 102 1HD LYS 102 -8.824 -9.495 8.645 747 HD3 LYS 102 2HD LYS 102 -10.469 -9.576 8.009 748 HE2 LYS 102 1HE LYS 102 -10.253 -11.825 7.417 749 HE3 LYS 102 2HE LYS 102 -8.492 -11.769 7.484 750 HZ1 LYS 102 1HZ LYS 102 -8.562 -12.408 9.587 751 HZ2 LYS 102 2HZ LYS 102 -10.245 -12.551 9.493 752 HZ3 LYS 102 3HZ LYS 102 -9.547 -11.098 10.007 753 HA PRO 103 HA PRO 103 -2.886 -8.156 4.171 754 HB2 PRO 103 1HB PRO 103 -2.209 -5.539 4.419 755 HB3 PRO 103 2HB PRO 103 -2.969 -6.201 2.967 756 HG2 PRO 103 1HG PRO 103 -4.212 -4.700 5.240 757 HG3 PRO 103 2HG PRO 103 -4.496 -4.529 3.498 758 HD2 PRO 103 1HD PRO 103 -6.175 -5.901 5.120 759 HD3 PRO 103 2HD PRO 103 -5.910 -6.348 3.422 760 H GLU 104 H GLU 104 -0.846 -7.305 5.313 761 HA GLU 104 HA GLU 104 -1.320 -7.349 8.221 762 HB2 GLU 104 1HB GLU 104 0.796 -8.482 8.483 763 HB3 GLU 104 2HB GLU 104 -0.185 -9.363 7.320 764 HG2 GLU 104 1HG GLU 104 1.121 -8.688 5.518 765 HG3 GLU 104 2HG GLU 104 1.839 -7.353 6.418 766 H ASP 105 H ASP 105 -0.213 -5.933 9.531 767 HA ASP 105 HA ASP 105 0.425 -3.416 8.533 768 HB2 ASP 105 1HB ASP 105 1.684 -3.222 10.818 769 HB3 ASP 105 2HB ASP 105 -0.067 -3.413 10.799 770 H TYR 106 H TYR 106 2.083 -2.744 7.361 771 HA TYR 106 HA TYR 106 4.331 -4.347 6.784 772 HB2 TYR 106 1HB TYR 106 3.632 -2.739 5.160 773 HB3 TYR 106 2HB TYR 106 3.765 -1.418 6.315 774 HD1 TYR 106 1HD TYR 106 6.013 -0.639 7.043 775 HD2 TYR 106 2HD TYR 106 5.524 -3.498 3.930 776 HE1 TYR 106 1HE TYR 106 8.317 -0.210 6.296 777 HE2 TYR 106 2HE TYR 106 7.827 -3.078 3.174 778 HH TYR 106 HH TYR 106 10.109 -1.912 4.787 779 H GLN 107 H GLN 107 5.876 -4.835 8.190 780 HA GLN 107 HA GLN 107 6.830 -2.726 10.014 781 HB2 GLN 107 1HB GLN 107 5.693 -4.948 10.884 782 HB3 GLN 107 2HB GLN 107 7.294 -5.617 10.599 783 HG2 GLN 107 1HG GLN 107 7.196 -4.971 12.871 784 HG3 GLN 107 2HG GLN 107 8.218 -3.799 12.041 785 HE21 GLN 107 1HE2 GLN 107 4.920 -4.344 13.175 786 HE22 GLN 107 2HE2 GLN 107 4.566 -2.685 13.499 787 H GLY 108 H GLY 108 8.171 -2.167 8.073 788 HA2 GLY 108 1HA GLY 108 10.722 -3.600 8.271 789 HA3 GLY 108 2HA GLY 108 10.006 -3.399 6.679 790 H GLY 109 H GLY 109 12.292 -2.364 6.573 791 HA2 GLY 109 1HA GLY 109 12.672 0.201 7.730 792 HA3 GLY 109 2HA GLY 109 13.581 -0.470 6.384 793 H ARG 110 H ARG 110 12.410 2.244 6.910 794 HA ARG 110 HA ARG 110 10.418 2.491 4.805 795 HB2 ARG 110 1HB ARG 110 11.545 4.355 6.869 796 HB3 ARG 110 2HB ARG 110 10.654 4.991 5.493 797 HG2 ARG 110 1HG ARG 110 9.406 2.803 7.060 798 HG3 ARG 110 2HG ARG 110 9.476 4.411 7.783 799 HD2 ARG 110 1HD ARG 110 7.422 3.717 6.334 800 HD3 ARG 110 2HD ARG 110 8.103 5.337 6.184 801 HE ARG 110 HE ARG 110 9.431 4.022 4.277 802 HH11 ARG 110 2HH1 ARG 110 6.044 4.107 5.075 803 HH12 ARG 110 1HH1 ARG 110 5.520 3.840 3.445 804 HH21 ARG 110 2HH2 ARG 110 8.754 3.670 2.128 805 HH22 ARG 110 1HH2 ARG 110 7.062 3.591 1.770 806 H THR 111 H THR 111 12.830 1.592 3.818 807 HA THR 111 HA THR 111 13.673 3.893 2.196 808 HB THR 111 HB THR 111 15.994 2.794 2.153 809 HG1 THR 111 1HG THR 111 16.474 1.459 3.878 810 HG21 THR 111 1HG2 THR 111 14.871 4.217 4.556 811 HG22 THR 111 2HG2 THR 111 15.790 4.894 3.211 812 HG23 THR 111 3HG2 THR 111 16.589 3.856 4.392 813 H GLY 112 H GLY 112 13.664 3.521 0.062 814 HA2 GLY 112 1HA GLY 112 12.436 1.549 -1.248 815 HA3 GLY 112 2HA GLY 112 13.857 2.328 -1.929 816 H GLU 113 H GLU 113 15.684 1.286 0.069 817 HA GLU 113 HA GLU 113 16.257 -1.220 -1.182 818 HB2 GLU 113 1HB GLU 113 18.014 -1.193 0.828 819 HB3 GLU 113 2HB GLU 113 18.235 -0.237 -0.630 820 HG2 GLU 113 1HG GLU 113 17.616 1.742 0.423 821 HG3 GLU 113 2HG GLU 113 16.830 0.897 1.755 822 H ALA 114 H ALA 114 15.354 -0.265 2.123 823 HA ALA 114 HA ALA 114 15.290 -2.838 3.228 824 HB1 ALA 114 1HB ALA 114 13.480 -0.602 4.097 825 HB2 ALA 114 2HB ALA 114 14.189 -1.887 5.075 826 HB3 ALA 114 3HB ALA 114 15.211 -0.601 4.435 827 H ILE 115 H ILE 115 12.609 -0.866 1.947 828 HA ILE 115 HA ILE 115 10.506 -2.572 2.323 829 HB ILE 115 HB ILE 115 11.005 -0.868 -0.121 830 HG12 ILE 115 1HG1 ILE 115 9.152 -0.087 2.077 831 HG13 ILE 115 2HG1 ILE 115 10.880 0.056 2.379 832 HG21 ILE 115 1HG2 ILE 115 8.990 -1.417 -0.908 833 HG22 ILE 115 2HG2 ILE 115 9.059 -2.785 0.202 834 HG23 ILE 115 3HG2 ILE 115 8.243 -1.298 0.685 835 HD11 ILE 115 1HD1 ILE 115 9.716 1.223 -0.104 836 HD12 ILE 115 2HD1 ILE 115 9.550 2.070 1.435 837 HD13 ILE 115 3HD1 ILE 115 11.153 1.701 0.799 838 H VAL 116 H VAL 116 12.972 -2.727 -0.188 839 HA VAL 116 HA VAL 116 11.806 -4.681 -1.819 840 HB VAL 116 HB VAL 116 14.678 -3.949 -1.301 841 HG11 VAL 116 1HG1 VAL 116 15.299 -5.940 -2.090 842 HG12 VAL 116 2HG1 VAL 116 13.647 -6.358 -2.551 843 HG13 VAL 116 3HG1 VAL 116 14.657 -5.412 -3.645 844 HG21 VAL 116 1HG2 VAL 116 12.827 -2.624 -2.695 845 HG22 VAL 116 2HG2 VAL 116 14.529 -2.651 -3.159 846 HG23 VAL 116 3HG2 VAL 116 13.381 -3.728 -3.954 847 H ASP 117 H ASP 117 13.853 -4.979 1.048 848 HA ASP 117 HA ASP 117 14.067 -7.818 0.917 849 HB2 ASP 117 1HB ASP 117 15.493 -6.008 2.227 850 HB3 ASP 117 2HB ASP 117 14.342 -6.365 3.511 851 H ALA 118 H ALA 118 11.737 -5.604 2.222 852 HA ALA 118 HA ALA 118 10.477 -7.400 4.029 853 HB1 ALA 118 1HB ALA 118 8.536 -5.580 3.294 854 HB2 ALA 118 2HB ALA 118 9.672 -5.412 4.633 855 HB3 ALA 118 3HB ALA 118 10.045 -4.696 3.065 856 H ALA 119 H ALA 119 9.646 -6.327 0.736 857 HA ALA 119 HA ALA 119 7.340 -7.857 0.407 858 HB1 ALA 119 1HB ALA 119 8.981 -6.210 -1.214 859 HB2 ALA 119 2HB ALA 119 8.692 -7.715 -2.088 860 HB3 ALA 119 3HB ALA 119 7.330 -6.752 -1.515 861 H LEU 120 H LEU 120 10.726 -8.676 -0.237 862 HA LEU 120 HA LEU 120 10.257 -11.190 -1.411 863 HB2 LEU 120 1HB LEU 120 12.650 -10.236 0.154 864 HB3 LEU 120 2HB LEU 120 12.606 -11.660 -0.883 865 HG LEU 120 HG LEU 120 11.990 -8.972 -2.036 866 HD11 LEU 120 1HD1 LEU 120 14.486 -9.709 -0.807 867 HD12 LEU 120 2HD1 LEU 120 14.006 -8.184 -1.549 868 HD13 LEU 120 3HD1 LEU 120 14.687 -9.471 -2.543 869 HD21 LEU 120 1HD2 LEU 120 11.767 -11.275 -3.197 870 HD22 LEU 120 2HD2 LEU 120 13.527 -11.212 -3.293 871 HD23 LEU 120 3HD2 LEU 120 12.556 -9.953 -4.058 872 H SER 121 H SER 121 11.137 -10.332 1.933 873 HA SER 121 HA SER 121 11.208 -12.832 3.064 874 HB2 SER 121 1HB SER 121 11.527 -10.416 4.089 875 HB3 SER 121 2HB SER 121 9.852 -10.646 4.590 876 HG SER 121 HG SER 121 10.463 -12.110 5.991 877 H ALA 122 H ALA 122 8.356 -10.781 2.563 878 HA ALA 122 HA ALA 122 6.496 -12.552 3.742 879 HB1 ALA 122 1HB ALA 122 5.462 -10.566 3.569 880 HB2 ALA 122 2HB ALA 122 6.387 -10.094 2.143 881 HB3 ALA 122 3HB ALA 122 4.986 -11.153 1.975 882 H LEU 123 H LEU 123 7.479 -12.038 0.367 883 HA LEU 123 HA LEU 123 5.759 -13.655 -0.985 884 HB2 LEU 123 1HB LEU 123 7.784 -12.309 -1.821 885 HB3 LEU 123 2HB LEU 123 8.704 -13.785 -1.537 886 HG LEU 123 HG LEU 123 8.039 -13.488 -3.895 887 HD11 LEU 123 1HD1 LEU 123 7.287 -15.736 -4.247 888 HD12 LEU 123 2HD1 LEU 123 6.668 -15.837 -2.599 889 HD13 LEU 123 3HD1 LEU 123 8.405 -15.726 -2.883 890 HD21 LEU 123 1HD2 LEU 123 5.770 -12.446 -3.109 891 HD22 LEU 123 2HD2 LEU 123 5.219 -14.120 -3.160 892 HD23 LEU 123 3HD2 LEU 123 5.862 -13.359 -4.615 893 H ARG 124 H ARG 124 8.870 -14.782 0.357 894 HA ARG 124 HA ARG 124 8.819 -17.415 -0.167 895 HB2 ARG 124 1HB ARG 124 9.469 -16.239 2.542 896 HB3 ARG 124 2HB ARG 124 9.987 -17.815 1.958 897 HG2 ARG 124 1HG ARG 124 11.000 -16.370 -0.002 898 HG3 ARG 124 2HG ARG 124 10.955 -15.107 1.229 899 HD2 ARG 124 1HD ARG 124 13.088 -16.108 1.397 900 HD3 ARG 124 2HD ARG 124 12.149 -16.729 2.754 901 HE ARG 124 HE ARG 124 11.844 -18.539 0.681 902 HH11 ARG 124 2HH1 ARG 124 14.435 -17.274 2.632 903 HH12 ARG 124 1HH1 ARG 124 15.390 -18.716 2.531 904 HH21 ARG 124 2HH2 ARG 124 13.092 -20.443 0.540 905 HH22 ARG 124 1HH2 ARG 124 14.626 -20.517 1.340 906 H SER 125 H SER 125 7.158 -15.967 2.634 907 HA SER 125 HA SER 125 5.979 -18.281 3.621 908 HB2 SER 125 1HB SER 125 6.033 -15.840 4.566 909 HB3 SER 125 2HB SER 125 4.501 -15.671 3.709 910 HG SER 125 HG SER 125 3.717 -17.445 4.906 911 H GLY 126 H GLY 126 4.784 -16.010 1.174 912 HA2 GLY 126 1HA GLY 126 2.242 -16.766 0.720 913 HA3 GLY 126 2HA GLY 126 3.355 -16.441 -0.601 914 HA PRO 127 HA PRO 127 1.938 -21.010 -0.331 915 HB2 PRO 127 1HB PRO 127 -0.099 -20.965 -2.125 916 HB3 PRO 127 2HB PRO 127 -0.339 -20.710 -0.392 917 HG2 PRO 127 1HG PRO 127 -0.146 -18.692 -2.594 918 HG3 PRO 127 2HG PRO 127 -1.269 -18.747 -1.223 919 HD2 PRO 127 1HD PRO 127 0.917 -17.149 -1.253 920 HD3 PRO 127 2HD PRO 127 0.278 -17.866 0.241 921 H SER 128 H SER 128 2.236 -22.562 -2.029 922 HA SER 128 HA SER 128 3.499 -23.360 -3.760 923 HB2 SER 128 1HB SER 128 2.699 -22.751 -5.907 924 HB3 SER 128 2HB SER 128 1.326 -22.528 -4.824 925 HG SER 128 HG SER 128 2.718 -20.685 -6.296 926 H SER 129 H SER 129 4.973 -21.647 -2.159 927 HA SER 129 HA SER 129 6.690 -20.300 -4.140 928 HB2 SER 129 1HB SER 129 5.609 -18.624 -2.740 929 HB3 SER 129 2HB SER 129 6.139 -19.464 -1.282 930 HG SER 129 HG SER 129 8.197 -18.853 -1.662 931 H GLY 130 H GLY 130 8.872 -20.647 -4.016 932 HA2 GLY 130 1HA GLY 130 10.333 -21.601 -1.865 933 HA3 GLY 130 2HA GLY 130 9.743 -23.021 -2.715 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -22.330 -1.223 -16.882 2 HA2 GLY 1 1HA GLY 1 -23.768 0.600 -17.591 3 HA3 GLY 1 2HA GLY 1 -24.801 0.245 -16.214 4 H SER 2 H SER 2 -22.988 0.067 -14.163 5 HA SER 2 HA SER 2 -22.482 2.820 -13.635 6 HB2 SER 2 1HB SER 2 -21.676 0.334 -12.105 7 HB3 SER 2 2HB SER 2 -21.507 1.983 -11.503 8 HG SER 2 HG SER 2 -23.750 0.401 -11.718 9 H SER 3 H SER 3 -20.916 3.818 -14.748 10 HA SER 3 HA SER 3 -18.295 2.490 -14.954 11 HB2 SER 3 1HB SER 3 -17.877 3.690 -16.948 12 HB3 SER 3 2HB SER 3 -19.556 3.168 -17.084 13 HG SER 3 HG SER 3 -20.000 5.342 -16.099 14 H GLY 4 H GLY 4 -16.462 3.524 -14.264 15 HA2 GLY 4 1HA GLY 4 -16.845 5.646 -12.348 16 HA3 GLY 4 2HA GLY 4 -15.331 4.837 -12.724 17 H SER 5 H SER 5 -14.363 6.958 -12.623 18 HA SER 5 HA SER 5 -14.981 8.681 -14.921 19 HB2 SER 5 1HB SER 5 -15.061 9.851 -12.803 20 HB3 SER 5 2HB SER 5 -13.461 9.252 -12.366 21 HG SER 5 HG SER 5 -14.178 11.339 -14.011 22 H SER 6 H SER 6 -13.801 8.161 -16.645 23 HA SER 6 HA SER 6 -11.124 7.084 -16.355 24 HB2 SER 6 1HB SER 6 -11.218 6.618 -18.695 25 HB3 SER 6 2HB SER 6 -12.817 6.245 -18.052 26 HG SER 6 HG SER 6 -13.436 8.387 -18.762 27 H GLY 7 H GLY 7 -9.293 7.975 -17.537 28 HA2 GLY 7 1HA GLY 7 -8.423 9.904 -18.804 29 HA3 GLY 7 2HA GLY 7 -9.473 10.912 -17.819 30 H ALA 8 H ALA 8 -7.529 12.128 -17.338 31 HA ALA 8 HA ALA 8 -5.396 10.913 -15.865 32 HB1 ALA 8 1HB ALA 8 -5.440 13.716 -15.429 33 HB2 ALA 8 2HB ALA 8 -4.368 12.780 -16.472 34 HB3 ALA 8 3HB ALA 8 -5.885 13.416 -17.109 35 H VAL 9 H VAL 9 -4.767 11.751 -13.673 36 HA VAL 9 HA VAL 9 -6.922 12.618 -11.950 37 HB VAL 9 HB VAL 9 -6.877 10.740 -10.445 38 HG11 VAL 9 1HG1 VAL 9 -8.005 9.103 -11.763 39 HG12 VAL 9 2HG1 VAL 9 -8.379 10.685 -12.448 40 HG13 VAL 9 3HG1 VAL 9 -7.193 9.641 -13.232 41 HG21 VAL 9 1HG2 VAL 9 -5.475 8.903 -10.597 42 HG22 VAL 9 2HG2 VAL 9 -5.136 9.172 -12.306 43 HG23 VAL 9 3HG2 VAL 9 -4.415 10.225 -11.089 44 H SER 10 H SER 10 -6.118 12.691 -9.604 45 HA SER 10 HA SER 10 -3.478 13.915 -9.648 46 HB2 SER 10 1HB SER 10 -5.751 13.915 -7.673 47 HB3 SER 10 2HB SER 10 -4.153 14.514 -7.228 48 HG SER 10 HG SER 10 -5.086 16.286 -8.006 49 H GLY 11 H GLY 11 -1.705 13.152 -8.621 50 HA2 GLY 11 1HA GLY 11 -1.620 11.384 -6.474 51 HA3 GLY 11 2HA GLY 11 -1.590 10.405 -7.933 52 H LEU 12 H LEU 12 0.349 11.616 -5.668 53 HA LEU 12 HA LEU 12 2.432 12.957 -6.844 54 HB2 LEU 12 1HB LEU 12 2.718 10.735 -4.829 55 HB3 LEU 12 2HB LEU 12 3.867 12.038 -5.128 56 HG LEU 12 HG LEU 12 1.077 12.514 -4.098 57 HD11 LEU 12 1HD1 LEU 12 3.166 11.231 -2.734 58 HD12 LEU 12 2HD1 LEU 12 1.673 11.884 -2.059 59 HD13 LEU 12 3HD1 LEU 12 3.122 12.887 -2.126 60 HD21 LEU 12 1HD2 LEU 12 2.086 14.451 -5.104 61 HD22 LEU 12 2HD2 LEU 12 3.578 14.195 -4.199 62 HD23 LEU 12 3HD2 LEU 12 2.099 14.647 -3.351 63 H TYR 13 H TYR 13 1.869 9.458 -6.812 64 HA TYR 13 HA TYR 13 4.238 8.901 -8.346 65 HB2 TYR 13 1HB TYR 13 1.888 7.141 -7.619 66 HB3 TYR 13 2HB TYR 13 3.367 6.579 -8.390 67 HD1 TYR 13 2HD TYR 13 2.122 8.272 -5.317 68 HD2 TYR 13 1HD TYR 13 5.182 5.907 -7.089 69 HE1 TYR 13 2HE TYR 13 3.146 7.950 -3.104 70 HE2 TYR 13 1HE TYR 13 6.214 5.577 -4.881 71 HH TYR 13 HH TYR 13 4.756 6.953 -1.948 72 H SER 14 H SER 14 4.009 7.540 -10.383 73 HA SER 14 HA SER 14 1.734 8.338 -12.039 74 HB2 SER 14 1HB SER 14 4.629 8.920 -12.680 75 HB3 SER 14 2HB SER 14 3.353 8.932 -13.898 76 HG SER 14 HG SER 14 3.635 11.013 -13.111 77 H SER 15 H SER 15 1.540 7.093 -14.012 78 HA SER 15 HA SER 15 1.946 4.349 -13.622 79 HB2 SER 15 1HB SER 15 1.212 5.979 -16.048 80 HB3 SER 15 2HB SER 15 1.378 4.226 -16.129 81 HG SER 15 HG SER 15 -0.129 4.367 -14.181 82 H SER 16 H SER 16 3.782 6.736 -15.458 83 HA SER 16 HA SER 16 5.467 5.183 -16.942 84 HB2 SER 16 1HB SER 16 5.471 7.674 -16.897 85 HB3 SER 16 2HB SER 16 6.328 7.615 -15.357 86 HG SER 16 HG SER 16 7.993 6.441 -16.475 87 H ASP 17 H ASP 17 5.938 6.105 -13.539 88 HA ASP 17 HA ASP 17 8.352 4.773 -13.118 89 HB2 ASP 17 1HB ASP 17 6.330 4.877 -10.921 90 HB3 ASP 17 2HB ASP 17 8.057 5.224 -10.872 91 H ASP 18 H ASP 18 8.241 2.969 -11.182 92 HA ASP 18 HA ASP 18 7.182 0.639 -12.531 93 HB2 ASP 18 1HB ASP 18 8.696 0.801 -9.917 94 HB3 ASP 18 2HB ASP 18 8.415 -0.646 -10.880 95 H VAL 19 H VAL 19 6.376 2.645 -9.823 96 HA VAL 19 HA VAL 19 4.746 0.839 -8.393 97 HB VAL 19 HB VAL 19 4.588 3.853 -8.546 98 HG11 VAL 19 1HG1 VAL 19 2.793 3.776 -7.243 99 HG12 VAL 19 2HG1 VAL 19 2.769 2.019 -7.413 100 HG13 VAL 19 3HG1 VAL 19 3.647 2.765 -6.077 101 HG21 VAL 19 1HG2 VAL 19 6.099 3.969 -6.831 102 HG22 VAL 19 2HG2 VAL 19 5.700 2.364 -6.221 103 HG23 VAL 19 3HG2 VAL 19 6.696 2.535 -7.666 104 H ILE 20 H ILE 20 2.686 0.200 -8.647 105 HA ILE 20 HA ILE 20 1.304 1.031 -11.077 106 HB ILE 20 HB ILE 20 0.732 -1.199 -9.125 107 HG12 ILE 20 1HG1 ILE 20 1.472 -1.469 -12.027 108 HG13 ILE 20 2HG1 ILE 20 2.714 -1.286 -10.793 109 HG21 ILE 20 1HG2 ILE 20 -1.385 -0.905 -9.865 110 HG22 ILE 20 2HG2 ILE 20 -0.873 -0.051 -11.320 111 HG23 ILE 20 3HG2 ILE 20 -0.781 -1.811 -11.252 112 HD11 ILE 20 1HD1 ILE 20 0.617 -3.421 -10.632 113 HD12 ILE 20 2HD1 ILE 20 2.127 -3.643 -11.516 114 HD13 ILE 20 3HD1 ILE 20 2.159 -3.322 -9.782 115 H GLU 21 H GLU 21 -0.249 2.505 -11.052 116 HA GLU 21 HA GLU 21 -1.173 3.717 -8.669 117 HB2 GLU 21 1HB GLU 21 -1.037 4.714 -11.035 118 HB3 GLU 21 2HB GLU 21 -2.573 3.910 -11.326 119 HG2 GLU 21 1HG GLU 21 -3.259 5.156 -9.111 120 HG3 GLU 21 2HG GLU 21 -1.943 6.229 -9.583 121 H LEU 22 H LEU 22 -2.329 2.542 -7.259 122 HA LEU 22 HA LEU 22 -4.380 0.706 -8.197 123 HB2 LEU 22 1HB LEU 22 -3.214 1.332 -5.502 124 HB3 LEU 22 2HB LEU 22 -4.649 0.325 -5.682 125 HG LEU 22 HG LEU 22 -1.893 -0.266 -6.759 126 HD11 LEU 22 1HD1 LEU 22 -3.477 -1.234 -4.418 127 HD12 LEU 22 2HD1 LEU 22 -1.781 -0.757 -4.506 128 HD13 LEU 22 3HD1 LEU 22 -2.302 -2.294 -5.196 129 HD21 LEU 22 1HD2 LEU 22 -3.454 -1.122 -8.330 130 HD22 LEU 22 2HD2 LEU 22 -4.510 -1.726 -7.053 131 HD23 LEU 22 3HD2 LEU 22 -2.939 -2.480 -7.329 132 H THR 23 H THR 23 -6.531 1.029 -8.069 133 HA THR 23 HA THR 23 -7.503 3.422 -6.664 134 HB THR 23 HB THR 23 -8.626 4.282 -8.452 135 HG1 THR 23 1HG THR 23 -8.840 1.594 -9.314 136 HG21 THR 23 1HG2 THR 23 -7.089 4.578 -10.080 137 HG22 THR 23 2HG2 THR 23 -6.907 2.847 -10.365 138 HG23 THR 23 3HG2 THR 23 -6.061 3.613 -9.021 139 HA PRO 24 HA PRO 24 -10.731 0.915 -5.065 140 HB2 PRO 24 1HB PRO 24 -12.858 2.601 -5.098 141 HB3 PRO 24 2HB PRO 24 -11.510 2.778 -3.969 142 HG2 PRO 24 1HG PRO 24 -12.035 4.229 -6.534 143 HG3 PRO 24 2HG PRO 24 -11.468 4.871 -4.981 144 HD2 PRO 24 1HD PRO 24 -9.794 4.375 -7.052 145 HD3 PRO 24 2HD PRO 24 -9.293 4.204 -5.357 146 H SER 25 H SER 25 -10.392 1.212 -8.163 147 HA SER 25 HA SER 25 -13.030 0.079 -8.831 148 HB2 SER 25 1HB SER 25 -11.336 2.062 -10.280 149 HB3 SER 25 2HB SER 25 -12.258 0.907 -11.241 150 HG SER 25 HG SER 25 -13.300 2.671 -9.275 151 H ASN 26 H ASN 26 -9.605 -0.251 -8.923 152 HA ASN 26 HA ASN 26 -9.909 -2.818 -10.334 153 HB2 ASN 26 1HB ASN 26 -7.362 -2.272 -10.920 154 HB3 ASN 26 2HB ASN 26 -8.692 -1.733 -11.941 155 HD21 ASN 26 1HD2 ASN 26 -6.089 -0.804 -9.958 156 HD22 ASN 26 2HD2 ASN 26 -6.303 0.906 -10.077 157 H PHE 27 H PHE 27 -8.747 -1.100 -7.623 158 HA PHE 27 HA PHE 27 -6.626 -2.343 -6.588 159 HB2 PHE 27 1HB PHE 27 -8.064 -0.692 -5.383 160 HB3 PHE 27 2HB PHE 27 -9.185 -1.998 -5.013 161 HD1 PHE 27 1HD PHE 27 -7.989 -4.121 -3.911 162 HD2 PHE 27 2HD PHE 27 -6.554 -0.117 -3.764 163 HE1 PHE 27 1HE PHE 27 -6.692 -4.664 -1.892 164 HE2 PHE 27 2HE PHE 27 -5.254 -0.653 -1.745 165 HZ PHE 27 HZ PHE 27 -5.322 -2.929 -0.807 166 H ASN 28 H ASN 28 -9.772 -3.820 -7.031 167 HA ASN 28 HA ASN 28 -9.081 -6.229 -5.613 168 HB2 ASN 28 1HB ASN 28 -11.421 -5.351 -5.790 169 HB3 ASN 28 2HB ASN 28 -11.396 -5.761 -7.503 170 HD21 ASN 28 1HD2 ASN 28 -10.911 -8.047 -8.015 171 HD22 ASN 28 2HD2 ASN 28 -11.556 -9.261 -6.968 172 H ARG 29 H ARG 29 -9.503 -5.305 -9.017 173 HA ARG 29 HA ARG 29 -8.742 -7.885 -10.003 174 HB2 ARG 29 1HB ARG 29 -9.337 -5.223 -11.228 175 HB3 ARG 29 2HB ARG 29 -8.505 -6.436 -12.191 176 HG2 ARG 29 1HG ARG 29 -11.034 -7.130 -10.760 177 HG3 ARG 29 2HG ARG 29 -11.081 -6.267 -12.299 178 HD2 ARG 29 1HD ARG 29 -9.415 -8.185 -13.019 179 HD3 ARG 29 2HD ARG 29 -10.203 -9.045 -11.697 180 HE ARG 29 HE ARG 29 -12.271 -8.055 -13.157 181 HH11 ARG 29 2HH1 ARG 29 -9.484 -10.006 -13.899 182 HH12 ARG 29 1HH1 ARG 29 -10.264 -10.859 -15.190 183 HH21 ARG 29 2HH2 ARG 29 -13.308 -9.172 -14.854 184 HH22 ARG 29 1HH2 ARG 29 -12.438 -10.384 -15.733 185 H GLU 30 H GLU 30 -6.999 -5.435 -8.614 186 HA GLU 30 HA GLU 30 -4.591 -5.974 -10.207 187 HB2 GLU 30 1HB GLU 30 -5.453 -3.707 -8.461 188 HB3 GLU 30 2HB GLU 30 -3.734 -4.020 -8.654 189 HG2 GLU 30 1HG GLU 30 -5.386 -3.875 -11.109 190 HG3 GLU 30 2HG GLU 30 -5.066 -2.374 -10.241 191 H VAL 31 H VAL 31 -5.652 -5.696 -6.820 192 HA VAL 31 HA VAL 31 -3.323 -7.285 -6.002 193 HB VAL 31 HB VAL 31 -5.263 -5.711 -4.302 194 HG11 VAL 31 1HG1 VAL 31 -4.482 -7.354 -2.873 195 HG12 VAL 31 2HG1 VAL 31 -2.901 -7.428 -3.655 196 HG13 VAL 31 3HG1 VAL 31 -3.313 -6.057 -2.623 197 HG21 VAL 31 1HG2 VAL 31 -2.442 -4.912 -4.427 198 HG22 VAL 31 2HG2 VAL 31 -3.340 -4.687 -5.927 199 HG23 VAL 31 3HG2 VAL 31 -3.904 -3.925 -4.440 200 H ILE 32 H ILE 32 -6.739 -7.027 -4.994 201 HA ILE 32 HA ILE 32 -7.002 -9.432 -3.716 202 HB ILE 32 HB ILE 32 -9.108 -8.189 -5.488 203 HG12 ILE 32 1HG1 ILE 32 -8.197 -6.573 -3.876 204 HG13 ILE 32 2HG1 ILE 32 -9.851 -7.014 -3.467 205 HG21 ILE 32 1HG2 ILE 32 -9.466 -9.922 -3.052 206 HG22 ILE 32 2HG2 ILE 32 -10.712 -9.353 -4.161 207 HG23 ILE 32 3HG2 ILE 32 -9.517 -10.529 -4.706 208 HD11 ILE 32 1HD1 ILE 32 -8.347 -6.860 -1.517 209 HD12 ILE 32 2HD1 ILE 32 -9.085 -8.450 -1.707 210 HD13 ILE 32 3HD1 ILE 32 -7.405 -8.196 -2.178 211 H GLN 33 H GLN 33 -6.941 -8.829 -7.164 212 HA GLN 33 HA GLN 33 -7.517 -11.644 -7.721 213 HB2 GLN 33 1HB GLN 33 -7.337 -9.208 -9.490 214 HB3 GLN 33 2HB GLN 33 -7.477 -10.840 -10.131 215 HG2 GLN 33 1HG GLN 33 -9.482 -9.178 -8.709 216 HG3 GLN 33 2HG GLN 33 -9.663 -10.199 -10.135 217 HE21 GLN 33 1HE2 GLN 33 -9.779 -10.034 -6.701 218 HE22 GLN 33 2HE2 GLN 33 -10.357 -11.638 -6.424 219 H SER 34 H SER 34 -5.023 -10.834 -6.475 220 HA SER 34 HA SER 34 -3.166 -11.784 -8.554 221 HB2 SER 34 1HB SER 34 -2.645 -9.461 -8.229 222 HB3 SER 34 2HB SER 34 -2.685 -9.640 -6.476 223 HG SER 34 HG SER 34 -0.631 -10.009 -8.152 224 H ASP 35 H ASP 35 -3.032 -13.882 -7.930 225 HA ASP 35 HA ASP 35 -3.079 -14.896 -5.348 226 HB2 ASP 35 1HB ASP 35 -3.170 -16.139 -7.606 227 HB3 ASP 35 2HB ASP 35 -1.410 -16.137 -7.523 228 H GLY 36 H GLY 36 -0.521 -13.305 -7.057 229 HA2 GLY 36 1HA GLY 36 1.623 -14.267 -5.420 230 HA3 GLY 36 2HA GLY 36 1.688 -12.904 -6.527 231 H LEU 37 H LEU 37 2.899 -11.701 -5.014 232 HA LEU 37 HA LEU 37 1.469 -10.911 -2.574 233 HB2 LEU 37 1HB LEU 37 3.963 -11.763 -2.727 234 HB3 LEU 37 2HB LEU 37 4.271 -10.075 -3.127 235 HG LEU 37 HG LEU 37 3.010 -9.544 -0.947 236 HD11 LEU 37 1HD1 LEU 37 2.196 -11.243 0.217 237 HD12 LEU 37 2HD1 LEU 37 3.831 -11.867 0.426 238 HD13 LEU 37 3HD1 LEU 37 2.857 -12.391 -0.947 239 HD21 LEU 37 1HD2 LEU 37 5.017 -9.296 0.073 240 HD22 LEU 37 2HD2 LEU 37 5.611 -9.696 -1.539 241 HD23 LEU 37 3HD2 LEU 37 5.534 -10.942 -0.293 242 H TRP 38 H TRP 38 1.112 -8.749 -2.074 243 HA TRP 38 HA TRP 38 1.706 -6.783 -4.171 244 HB2 TRP 38 1HB TRP 38 -0.943 -7.695 -3.269 245 HB3 TRP 38 2HB TRP 38 -0.748 -5.945 -3.302 246 HD1 TRP 38 HD TRP 38 -1.038 -8.967 -5.584 247 HE1 TRP 38 1HE TRP 38 -1.283 -8.162 -8.016 248 HE3 TRP 38 3HE TRP 38 -0.068 -3.995 -4.895 249 HZ2 TRP 38 2HZ TRP 38 -1.090 -5.740 -9.453 250 HZ3 TRP 38 3HZ TRP 38 -0.118 -2.502 -6.850 251 HH2 TRP 38 HH TRP 38 -0.618 -3.358 -9.081 252 H LEU 39 H LEU 39 2.237 -4.778 -3.446 253 HA LEU 39 HA LEU 39 2.105 -4.337 -0.535 254 HB2 LEU 39 1HB LEU 39 4.309 -3.993 -2.480 255 HB3 LEU 39 2HB LEU 39 4.149 -2.758 -1.233 256 HG LEU 39 HG LEU 39 4.435 -5.707 -0.670 257 HD11 LEU 39 1HD1 LEU 39 6.704 -5.458 -0.420 258 HD12 LEU 39 2HD1 LEU 39 6.600 -3.712 -0.199 259 HD13 LEU 39 3HD1 LEU 39 6.397 -4.410 -1.805 260 HD21 LEU 39 1HD2 LEU 39 3.502 -4.864 1.241 261 HD22 LEU 39 2HD2 LEU 39 4.171 -3.251 0.992 262 HD23 LEU 39 3HD2 LEU 39 5.208 -4.557 1.569 263 H VAL 40 H VAL 40 0.374 -3.015 -0.359 264 HA VAL 40 HA VAL 40 0.217 -0.670 -2.121 265 HB VAL 40 HB VAL 40 -1.894 -1.679 -0.214 266 HG11 VAL 40 1HG1 VAL 40 -2.465 0.508 -0.647 267 HG12 VAL 40 2HG1 VAL 40 -1.765 0.483 -2.267 268 HG13 VAL 40 3HG1 VAL 40 -3.300 -0.328 -1.955 269 HG21 VAL 40 1HG2 VAL 40 -2.841 -2.214 -2.708 270 HG22 VAL 40 2HG2 VAL 40 -1.127 -2.581 -2.897 271 HG23 VAL 40 3HG2 VAL 40 -2.070 -3.397 -1.651 272 H GLU 41 H GLU 41 0.661 1.304 -1.380 273 HA GLU 41 HA GLU 41 0.838 1.686 1.537 274 HB2 GLU 41 1HB GLU 41 3.060 1.800 0.813 275 HB3 GLU 41 2HB GLU 41 2.632 2.633 -0.675 276 HG2 GLU 41 1HG GLU 41 2.163 4.658 0.542 277 HG3 GLU 41 2HG GLU 41 2.444 3.838 2.076 278 H PHE 42 H PHE 42 -0.670 3.016 2.267 279 HA PHE 42 HA PHE 42 -2.099 4.778 0.490 280 HB2 PHE 42 1HB PHE 42 -2.333 4.395 3.483 281 HB3 PHE 42 2HB PHE 42 -3.448 5.321 2.483 282 HD1 PHE 42 1HD PHE 42 -2.061 1.913 2.969 283 HD2 PHE 42 2HD PHE 42 -5.262 4.282 1.466 284 HE1 PHE 42 1HE PHE 42 -3.370 -0.128 2.552 285 HE2 PHE 42 2HE PHE 42 -6.577 2.245 1.048 286 HZ PHE 42 HZ PHE 42 -5.632 0.037 1.592 287 H TYR 43 H TYR 43 -1.007 6.543 -0.147 288 HA TYR 43 HA TYR 43 0.343 8.153 1.917 289 HB2 TYR 43 1HB TYR 43 1.850 8.940 0.289 290 HB3 TYR 43 2HB TYR 43 1.685 7.224 -0.064 291 HD1 TYR 43 1HD TYR 43 0.434 10.575 -1.087 292 HD2 TYR 43 2HD TYR 43 1.044 6.514 -2.198 293 HE1 TYR 43 1HE TYR 43 -0.198 11.120 -3.400 294 HE2 TYR 43 2HE TYR 43 0.415 7.048 -4.515 295 HH TYR 43 HH TYR 43 -0.816 8.705 -5.753 296 H ALA 44 H ALA 44 0.395 10.555 1.322 297 HA ALA 44 HA ALA 44 -2.161 11.401 0.139 298 HB1 ALA 44 1HB ALA 44 -2.253 13.161 1.967 299 HB2 ALA 44 2HB ALA 44 -2.624 11.504 2.444 300 HB3 ALA 44 3HB ALA 44 -1.044 12.195 2.814 301 HA PRO 45 HA PRO 45 0.685 14.008 -2.090 302 HB2 PRO 45 1HB PRO 45 -1.202 15.251 -3.594 303 HB3 PRO 45 2HB PRO 45 -0.634 13.611 -3.929 304 HG2 PRO 45 1HG PRO 45 -3.113 14.505 -2.507 305 HG3 PRO 45 2HG PRO 45 -2.915 13.213 -3.706 306 HD2 PRO 45 1HD PRO 45 -3.065 12.723 -1.047 307 HD3 PRO 45 2HD PRO 45 -2.098 11.722 -2.149 308 H TRP 46 H TRP 46 -1.100 14.784 0.464 309 HA TRP 46 HA TRP 46 -0.696 17.685 0.128 310 HB2 TRP 46 1HB TRP 46 -2.510 17.999 1.787 311 HB3 TRP 46 2HB TRP 46 -3.063 17.174 0.333 312 HD1 TRP 46 HD TRP 46 -4.365 14.992 0.703 313 HE1 TRP 46 1HE TRP 46 -4.771 13.416 2.697 314 HE3 TRP 46 3HE TRP 46 -1.167 17.114 4.081 315 HZ2 TRP 46 2HZ TRP 46 -3.858 13.113 5.351 316 HZ3 TRP 46 3HZ TRP 46 -0.992 16.121 6.325 317 HH2 TRP 46 HH TRP 46 -2.311 14.162 6.945 318 H CYS 47 H CYS 47 0.130 14.886 1.877 319 HA CYS 47 HA CYS 47 0.992 16.299 4.256 320 HB2 CYS 47 1HB CYS 47 0.135 13.762 3.885 321 HB3 CYS 47 2HB CYS 47 1.874 13.509 3.805 322 HG CYS 47 HG CYS 47 2.340 14.688 6.333 323 H GLY 48 H GLY 48 3.281 15.795 5.058 324 HA2 GLY 48 1HA GLY 48 5.115 16.579 2.922 325 HA3 GLY 48 2HA GLY 48 5.428 16.677 4.648 326 H HIS 49 H HIS 49 5.640 14.535 5.781 327 HA HIS 49 HA HIS 49 7.772 13.101 4.960 328 HB2 HIS 49 1HB HIS 49 6.768 11.149 6.289 329 HB3 HIS 49 2HB HIS 49 6.992 12.674 7.140 330 HD1 HIS 49 1HD HIS 49 5.106 12.877 8.722 331 HD2 HIS 49 2HD HIS 49 3.868 11.463 5.017 332 HE1 HIS 49 1HE HIS 49 2.602 12.691 8.875 333 HE2 HIS 49 2HE HIS 49 1.884 11.753 6.651 334 H CYS 50 H CYS 50 4.574 12.887 3.677 335 HA CYS 50 HA CYS 50 4.860 10.331 2.436 336 HB2 CYS 50 1HB CYS 50 2.633 10.814 2.624 337 HB3 CYS 50 2HB CYS 50 2.876 12.539 2.378 338 HG CYS 50 HG CYS 50 3.564 10.861 -0.387 339 H GLN 51 H GLN 51 4.763 13.628 1.070 340 HA GLN 51 HA GLN 51 5.449 12.991 -1.531 341 HB2 GLN 51 1HB GLN 51 6.268 15.477 -0.018 342 HB3 GLN 51 2HB GLN 51 6.179 15.309 -1.766 343 HG2 GLN 51 1HG GLN 51 3.900 15.407 -1.803 344 HG3 GLN 51 2HG GLN 51 3.735 14.757 -0.173 345 HE21 GLN 51 1HE2 GLN 51 2.167 16.760 -0.575 346 HE22 GLN 51 2HE2 GLN 51 2.755 18.235 0.105 347 H ARG 52 H ARG 52 7.359 12.751 1.265 348 HA ARG 52 HA ARG 52 9.883 12.912 -0.189 349 HB2 ARG 52 1HB ARG 52 9.457 12.264 2.730 350 HB3 ARG 52 2HB ARG 52 10.957 12.756 1.955 351 HG2 ARG 52 1HG ARG 52 9.541 14.893 1.344 352 HG3 ARG 52 2HG ARG 52 8.608 14.385 2.753 353 HD2 ARG 52 1HD ARG 52 10.365 14.717 4.204 354 HD3 ARG 52 2HD ARG 52 11.581 14.508 2.944 355 HE ARG 52 HE ARG 52 9.953 16.848 2.593 356 HH11 ARG 52 2HH1 ARG 52 12.780 15.538 4.145 357 HH12 ARG 52 1HH1 ARG 52 13.561 17.076 4.313 358 HH21 ARG 52 2HH2 ARG 52 10.970 18.878 2.808 359 HH22 ARG 52 1HH2 ARG 52 12.530 18.975 3.553 360 H LEU 53 H LEU 53 7.630 10.581 0.971 361 HA LEU 53 HA LEU 53 9.521 8.382 0.867 362 HB2 LEU 53 1HB LEU 53 7.713 8.476 2.557 363 HB3 LEU 53 2HB LEU 53 6.532 8.334 1.257 364 HG LEU 53 HG LEU 53 7.414 6.102 0.721 365 HD11 LEU 53 1HD1 LEU 53 8.862 5.635 3.152 366 HD12 LEU 53 2HD1 LEU 53 9.611 6.945 2.240 367 HD13 LEU 53 3HD1 LEU 53 9.364 5.373 1.481 368 HD21 LEU 53 1HD2 LEU 53 6.806 6.185 3.657 369 HD22 LEU 53 2HD2 LEU 53 6.329 4.982 2.458 370 HD23 LEU 53 3HD2 LEU 53 5.582 6.581 2.450 371 H THR 54 H THR 54 8.103 10.139 -1.434 372 HA THR 54 HA THR 54 6.878 8.257 -3.139 373 HB THR 54 HB THR 54 8.323 10.526 -4.389 374 HG1 THR 54 1HG THR 54 6.015 11.042 -2.824 375 HG21 THR 54 1HG2 THR 54 5.873 8.971 -4.758 376 HG22 THR 54 2HG2 THR 54 6.859 9.829 -5.942 377 HG23 THR 54 3HG2 THR 54 5.655 10.704 -4.996 378 HA PRO 55 HA PRO 55 11.219 8.009 -5.288 379 HB2 PRO 55 1HB PRO 55 13.340 8.863 -3.824 380 HB3 PRO 55 2HB PRO 55 12.431 9.924 -4.906 381 HG2 PRO 55 1HG PRO 55 12.222 9.620 -1.935 382 HG3 PRO 55 2HG PRO 55 12.217 11.100 -2.911 383 HD2 PRO 55 1HD PRO 55 9.948 9.993 -1.934 384 HD3 PRO 55 2HD PRO 55 9.995 10.871 -3.477 385 H GLU 56 H GLU 56 10.847 7.488 -1.850 386 HA GLU 56 HA GLU 56 12.750 5.330 -1.733 387 HB2 GLU 56 1HB GLU 56 10.662 6.262 0.244 388 HB3 GLU 56 2HB GLU 56 11.847 5.005 0.566 389 HG2 GLU 56 1HG GLU 56 12.600 7.808 -0.207 390 HG3 GLU 56 2HG GLU 56 12.386 7.288 1.464 391 H TRP 57 H TRP 57 9.261 5.672 -2.017 392 HA TRP 57 HA TRP 57 8.725 2.871 -1.733 393 HB2 TRP 57 1HB TRP 57 7.093 4.738 -1.227 394 HB3 TRP 57 2HB TRP 57 6.918 4.953 -2.967 395 HD1 TRP 57 HD TRP 57 4.766 3.855 -3.777 396 HE1 TRP 57 1HE TRP 57 3.449 1.716 -3.214 397 HE3 TRP 57 3HE TRP 57 7.745 2.025 -0.046 398 HZ2 TRP 57 2HZ TRP 57 3.647 -0.459 -1.425 399 HZ3 TRP 57 3HZ TRP 57 7.110 -0.090 1.040 400 HH2 TRP 57 HH TRP 57 5.103 -1.304 0.363 401 H LYS 58 H LYS 58 9.141 5.104 -4.429 402 HA LYS 58 HA LYS 58 8.334 3.379 -6.494 403 HB2 LYS 58 1HB LYS 58 10.062 5.816 -6.345 404 HB3 LYS 58 2HB LYS 58 10.026 4.884 -7.836 405 HG2 LYS 58 1HG LYS 58 7.598 5.171 -7.952 406 HG3 LYS 58 2HG LYS 58 7.646 6.121 -6.465 407 HD2 LYS 58 1HD LYS 58 9.344 7.596 -7.741 408 HD3 LYS 58 2HD LYS 58 8.702 6.810 -9.185 409 HE2 LYS 58 1HE LYS 58 6.560 7.690 -8.849 410 HE3 LYS 58 2HE LYS 58 6.888 8.080 -7.161 411 HZ1 LYS 58 1HZ LYS 58 7.097 10.129 -8.080 412 HZ2 LYS 58 2HZ LYS 58 7.613 9.547 -9.582 413 HZ3 LYS 58 3HZ LYS 58 8.694 9.608 -8.282 414 H LYS 59 H LYS 59 11.548 4.014 -5.119 415 HA LYS 59 HA LYS 59 13.123 2.482 -6.759 416 HB2 LYS 59 1HB LYS 59 13.252 3.214 -3.874 417 HB3 LYS 59 2HB LYS 59 14.356 1.972 -4.451 418 HG2 LYS 59 1HG LYS 59 15.179 3.539 -6.166 419 HG3 LYS 59 2HG LYS 59 14.121 4.785 -5.500 420 HD2 LYS 59 1HD LYS 59 15.987 3.387 -3.652 421 HD3 LYS 59 2HD LYS 59 16.656 4.578 -4.769 422 HE2 LYS 59 1HE LYS 59 14.282 5.185 -3.033 423 HE3 LYS 59 2HE LYS 59 15.934 5.390 -2.453 424 HZ1 LYS 59 1HZ LYS 59 15.645 6.594 -4.992 425 HZ2 LYS 59 2HZ LYS 59 16.073 7.310 -3.520 426 HZ3 LYS 59 3HZ LYS 59 14.443 7.177 -3.953 427 H ALA 60 H ALA 60 11.392 1.363 -3.855 428 HA ALA 60 HA ALA 60 12.157 -1.331 -4.032 429 HB1 ALA 60 1HB ALA 60 10.588 -1.762 -2.367 430 HB2 ALA 60 2HB ALA 60 11.025 -0.074 -2.096 431 HB3 ALA 60 3HB ALA 60 9.513 -0.474 -2.911 432 H ALA 61 H ALA 61 9.559 0.466 -5.560 433 HA ALA 61 HA ALA 61 8.079 -1.750 -6.506 434 HB1 ALA 61 1HB ALA 61 8.137 1.152 -7.013 435 HB2 ALA 61 2HB ALA 61 7.482 0.154 -8.312 436 HB3 ALA 61 3HB ALA 61 6.774 0.079 -6.698 437 H THR 62 H THR 62 10.884 -0.050 -7.720 438 HA THR 62 HA THR 62 10.819 -1.064 -10.365 439 HB THR 62 HB THR 62 13.272 -0.204 -8.823 440 HG1 THR 62 1HG THR 62 12.787 1.870 -9.791 441 HG21 THR 62 1HG2 THR 62 14.276 0.192 -10.927 442 HG22 THR 62 2HG2 THR 62 12.743 0.009 -11.779 443 HG23 THR 62 3HG2 THR 62 13.522 -1.396 -11.054 444 H ALA 63 H ALA 63 12.483 -2.135 -7.420 445 HA ALA 63 HA ALA 63 13.731 -4.372 -8.699 446 HB1 ALA 63 1HB ALA 63 13.714 -4.881 -5.967 447 HB2 ALA 63 2HB ALA 63 15.004 -4.113 -6.894 448 HB3 ALA 63 3HB ALA 63 13.783 -3.123 -6.095 449 H LEU 64 H LEU 64 10.949 -3.967 -6.530 450 HA LEU 64 HA LEU 64 10.281 -6.781 -6.724 451 HB2 LEU 64 1HB LEU 64 8.546 -4.674 -5.490 452 HB3 LEU 64 2HB LEU 64 8.659 -6.386 -5.090 453 HG LEU 64 HG LEU 64 11.017 -4.620 -4.608 454 HD11 LEU 64 1HD1 LEU 64 8.416 -4.498 -3.207 455 HD12 LEU 64 2HD1 LEU 64 9.659 -3.264 -3.408 456 HD13 LEU 64 3HD1 LEU 64 9.865 -4.534 -2.202 457 HD21 LEU 64 1HD2 LEU 64 10.744 -6.323 -2.507 458 HD22 LEU 64 2HD2 LEU 64 11.692 -6.659 -3.956 459 HD23 LEU 64 3HD2 LEU 64 10.043 -7.272 -3.818 460 H LYS 65 H LYS 65 10.045 -4.483 -8.892 461 HA LYS 65 HA LYS 65 7.432 -4.143 -9.676 462 HB2 LYS 65 1HB LYS 65 8.980 -2.948 -10.933 463 HB3 LYS 65 2HB LYS 65 10.003 -4.354 -11.197 464 HG2 LYS 65 1HG LYS 65 8.353 -5.273 -12.741 465 HG3 LYS 65 2HG LYS 65 7.316 -3.870 -12.471 466 HD2 LYS 65 1HD LYS 65 10.137 -3.479 -13.380 467 HD3 LYS 65 2HD LYS 65 8.898 -3.949 -14.546 468 HE2 LYS 65 1HE LYS 65 8.620 -1.591 -12.695 469 HE3 LYS 65 2HE LYS 65 9.305 -1.471 -14.314 470 HZ1 LYS 65 1HZ LYS 65 6.558 -2.359 -13.623 471 HZ2 LYS 65 2HZ LYS 65 7.207 -2.377 -15.184 472 HZ3 LYS 65 3HZ LYS 65 6.988 -0.906 -14.377 473 H ASP 66 H ASP 66 9.589 -6.844 -10.502 474 HA ASP 66 HA ASP 66 7.329 -8.282 -11.677 475 HB2 ASP 66 1HB ASP 66 10.308 -8.622 -11.781 476 HB3 ASP 66 2HB ASP 66 9.254 -9.976 -12.178 477 H VAL 67 H VAL 67 9.202 -8.139 -8.816 478 HA VAL 67 HA VAL 67 8.648 -10.848 -7.974 479 HB VAL 67 HB VAL 67 9.568 -8.729 -6.077 480 HG11 VAL 67 1HG1 VAL 67 9.384 -10.765 -5.002 481 HG12 VAL 67 2HG1 VAL 67 9.909 -11.679 -6.418 482 HG13 VAL 67 3HG1 VAL 67 11.082 -10.756 -5.478 483 HG21 VAL 67 1HG2 VAL 67 11.910 -9.175 -6.858 484 HG22 VAL 67 2HG2 VAL 67 11.219 -9.947 -8.284 485 HG23 VAL 67 3HG2 VAL 67 10.922 -8.236 -7.977 486 H VAL 68 H VAL 68 7.942 -7.731 -6.393 487 HA VAL 68 HA VAL 68 5.317 -8.830 -5.617 488 HB VAL 68 HB VAL 68 7.078 -6.968 -4.016 489 HG11 VAL 68 1HG1 VAL 68 5.165 -7.673 -2.294 490 HG12 VAL 68 2HG1 VAL 68 5.041 -6.244 -3.323 491 HG13 VAL 68 3HG1 VAL 68 4.229 -7.740 -3.787 492 HG21 VAL 68 1HG2 VAL 68 7.235 -8.801 -2.428 493 HG22 VAL 68 2HG2 VAL 68 6.222 -9.809 -3.461 494 HG23 VAL 68 3HG2 VAL 68 7.823 -9.312 -4.010 495 H LYS 69 H LYS 69 3.674 -7.771 -6.486 496 HA LYS 69 HA LYS 69 3.911 -5.429 -7.997 497 HB2 LYS 69 1HB LYS 69 1.516 -6.775 -6.752 498 HB3 LYS 69 2HB LYS 69 1.377 -5.361 -7.788 499 HG2 LYS 69 1HG LYS 69 2.858 -7.761 -8.760 500 HG3 LYS 69 2HG LYS 69 1.093 -7.744 -8.783 501 HD2 LYS 69 1HD LYS 69 1.022 -5.921 -10.262 502 HD3 LYS 69 2HD LYS 69 2.711 -5.504 -9.963 503 HE2 LYS 69 1HE LYS 69 3.393 -7.602 -11.060 504 HE3 LYS 69 2HE LYS 69 1.701 -7.958 -11.400 505 HZ1 LYS 69 1HZ LYS 69 1.705 -6.593 -13.139 506 HZ2 LYS 69 2HZ LYS 69 3.392 -6.587 -13.023 507 HZ3 LYS 69 3HZ LYS 69 2.491 -5.354 -12.296 508 H VAL 70 H VAL 70 4.770 -3.670 -7.008 509 HA VAL 70 HA VAL 70 3.703 -2.791 -4.439 510 HB VAL 70 HB VAL 70 5.942 -1.644 -6.113 511 HG11 VAL 70 1HG1 VAL 70 5.686 -1.009 -3.238 512 HG12 VAL 70 2HG1 VAL 70 6.252 -0.009 -4.578 513 HG13 VAL 70 3HG1 VAL 70 4.523 -0.245 -4.322 514 HG21 VAL 70 1HG2 VAL 70 7.218 -2.559 -4.003 515 HG22 VAL 70 2HG2 VAL 70 5.833 -3.649 -3.911 516 HG23 VAL 70 3HG2 VAL 70 6.837 -3.618 -5.361 517 H GLY 71 H GLY 71 1.724 -1.887 -4.750 518 HA2 GLY 71 1HA GLY 71 1.351 0.033 -6.922 519 HA3 GLY 71 2HA GLY 71 0.091 -0.618 -5.883 520 H ALA 72 H ALA 72 -0.623 1.621 -5.740 521 HA ALA 72 HA ALA 72 0.300 2.850 -3.344 522 HB1 ALA 72 1HB ALA 72 0.685 5.083 -4.796 523 HB2 ALA 72 2HB ALA 72 1.987 3.999 -4.304 524 HB3 ALA 72 3HB ALA 72 1.298 3.872 -5.922 525 H VAL 73 H VAL 73 -1.463 3.649 -2.422 526 HA VAL 73 HA VAL 73 -3.642 4.618 -4.157 527 HB VAL 73 HB VAL 73 -3.704 3.024 -1.627 528 HG11 VAL 73 1HG1 VAL 73 -6.257 3.647 -1.717 529 HG12 VAL 73 2HG1 VAL 73 -5.108 4.655 -0.834 530 HG13 VAL 73 3HG1 VAL 73 -5.643 5.130 -2.447 531 HG21 VAL 73 1HG2 VAL 73 -5.507 1.849 -2.878 532 HG22 VAL 73 2HG2 VAL 73 -5.196 2.918 -4.246 533 HG23 VAL 73 3HG2 VAL 73 -3.940 1.813 -3.686 534 H ASN 74 H ASN 74 -4.239 6.674 -3.928 535 HA ASN 74 HA ASN 74 -2.919 8.346 -1.999 536 HB2 ASN 74 1HB ASN 74 -3.291 9.208 -4.232 537 HB3 ASN 74 2HB ASN 74 -5.028 8.956 -4.080 538 HD21 ASN 74 1HD2 ASN 74 -4.799 11.304 -4.757 539 HD22 ASN 74 2HD2 ASN 74 -4.751 12.465 -3.479 540 H ALA 75 H ALA 75 -3.635 7.807 0.037 541 HA ALA 75 HA ALA 75 -6.140 7.189 0.924 542 HB1 ALA 75 1HB ALA 75 -5.479 8.040 3.108 543 HB2 ALA 75 2HB ALA 75 -4.148 7.168 2.345 544 HB3 ALA 75 3HB ALA 75 -4.148 8.932 2.370 545 H ASP 76 H ASP 76 -4.863 10.398 0.217 546 HA ASP 76 HA ASP 76 -6.981 11.907 1.280 547 HB2 ASP 76 1HB ASP 76 -4.834 12.907 0.648 548 HB3 ASP 76 2HB ASP 76 -5.159 12.555 -1.048 549 H LYS 77 H LYS 77 -6.461 10.575 -1.963 550 HA LYS 77 HA LYS 77 -9.006 11.576 -2.906 551 HB2 LYS 77 1HB LYS 77 -7.296 11.553 -4.544 552 HB3 LYS 77 2HB LYS 77 -6.829 9.904 -4.147 553 HG2 LYS 77 1HG LYS 77 -9.210 9.289 -4.940 554 HG3 LYS 77 2HG LYS 77 -9.179 10.874 -5.718 555 HD2 LYS 77 1HD LYS 77 -6.886 9.000 -6.107 556 HD3 LYS 77 2HD LYS 77 -8.380 8.744 -7.014 557 HE2 LYS 77 1HE LYS 77 -6.793 11.309 -6.961 558 HE3 LYS 77 2HE LYS 77 -6.728 10.104 -8.246 559 HZ1 LYS 77 1HZ LYS 77 -8.559 10.930 -9.153 560 HZ2 LYS 77 2HZ LYS 77 -8.463 12.225 -8.069 561 HZ3 LYS 77 3HZ LYS 77 -9.408 10.874 -7.690 562 H HIS 78 H HIS 78 -7.571 8.317 -2.634 563 HA HIS 78 HA HIS 78 -10.181 7.089 -2.789 564 HB2 HIS 78 1HB HIS 78 -7.505 5.804 -2.212 565 HB3 HIS 78 2HB HIS 78 -8.985 4.976 -2.684 566 HD1 HIS 78 1HD HIS 78 -9.832 6.714 -5.066 567 HD2 HIS 78 2HD HIS 78 -5.941 5.418 -4.402 568 HE1 HIS 78 1HE HIS 78 -8.712 6.768 -7.317 569 HE2 HIS 78 2HE HIS 78 -6.384 5.898 -6.905 570 H GLN 79 H GLN 79 -9.976 8.821 -0.600 571 HA GLN 79 HA GLN 79 -9.227 7.942 1.840 572 HB2 GLN 79 1HB GLN 79 -11.676 9.411 0.943 573 HB3 GLN 79 2HB GLN 79 -11.513 8.953 2.633 574 HG2 GLN 79 1HG GLN 79 -9.547 10.622 1.081 575 HG3 GLN 79 2HG GLN 79 -10.754 11.239 2.208 576 HE21 GLN 79 1HE2 GLN 79 -8.372 12.019 2.813 577 HE22 GLN 79 2HE2 GLN 79 -7.669 11.119 4.109 578 H SER 80 H SER 80 -11.855 6.675 -0.090 579 HA SER 80 HA SER 80 -13.135 5.153 1.904 580 HB2 SER 80 1HB SER 80 -12.980 4.740 -1.090 581 HB3 SER 80 2HB SER 80 -14.052 3.837 -0.020 582 HG SER 80 HG SER 80 -14.172 6.501 -0.838 583 H LEU 81 H LEU 81 -10.721 4.196 -0.535 584 HA LEU 81 HA LEU 81 -10.431 1.539 0.161 585 HB2 LEU 81 1HB LEU 81 -8.430 3.527 -0.880 586 HB3 LEU 81 2HB LEU 81 -8.053 1.817 -0.678 587 HG LEU 81 HG LEU 81 -10.155 2.972 -2.511 588 HD11 LEU 81 1HD1 LEU 81 -7.657 3.211 -3.073 589 HD12 LEU 81 2HD1 LEU 81 -8.729 2.520 -4.291 590 HD13 LEU 81 3HD1 LEU 81 -7.697 1.466 -3.325 591 HD21 LEU 81 1HD2 LEU 81 -11.089 0.958 -2.460 592 HD22 LEU 81 2HD2 LEU 81 -9.819 0.337 -1.406 593 HD23 LEU 81 3HD2 LEU 81 -9.605 0.307 -3.157 594 H GLY 82 H GLY 82 -8.569 4.312 1.411 595 HA2 GLY 82 1HA GLY 82 -6.998 2.855 3.225 596 HA3 GLY 82 2HA GLY 82 -7.358 4.571 3.342 597 H GLY 83 H GLY 83 -9.917 4.801 3.902 598 HA2 GLY 83 1HA GLY 83 -10.115 4.048 6.605 599 HA3 GLY 83 2HA GLY 83 -11.424 4.697 5.629 600 H GLN 84 H GLN 84 -11.001 2.374 3.717 601 HA GLN 84 HA GLN 84 -12.946 0.654 4.912 602 HB2 GLN 84 1HB GLN 84 -12.870 1.142 2.481 603 HB3 GLN 84 2HB GLN 84 -11.356 0.254 2.373 604 HG2 GLN 84 1HG GLN 84 -12.374 -1.789 2.711 605 HG3 GLN 84 2HG GLN 84 -13.789 -1.072 3.479 606 HE21 GLN 84 1HE2 GLN 84 -12.074 -1.122 0.379 607 HE22 GLN 84 2HE2 GLN 84 -13.494 -1.097 -0.605 608 H TYR 85 H TYR 85 -9.614 0.841 5.161 609 HA TYR 85 HA TYR 85 -9.392 -2.015 5.844 610 HB2 TYR 85 1HB TYR 85 -7.414 -0.041 4.758 611 HB3 TYR 85 2HB TYR 85 -6.848 -1.426 5.685 612 HD1 TYR 85 1HD TYR 85 -9.242 -0.734 2.891 613 HD2 TYR 85 2HD TYR 85 -6.224 -3.281 4.474 614 HE1 TYR 85 1HE TYR 85 -9.368 -2.129 0.870 615 HE2 TYR 85 2HE TYR 85 -6.341 -4.683 2.457 616 HH TYR 85 HH TYR 85 -8.119 -5.181 0.663 617 H GLY 86 H GLY 86 -8.631 1.270 6.894 618 HA2 GLY 86 1HA GLY 86 -9.125 1.504 9.380 619 HA3 GLY 86 2HA GLY 86 -7.962 0.200 9.561 620 H VAL 87 H VAL 87 -7.402 2.545 7.093 621 HA VAL 87 HA VAL 87 -4.898 3.293 8.211 622 HB VAL 87 HB VAL 87 -6.396 4.655 5.970 623 HG11 VAL 87 1HG1 VAL 87 -4.200 5.412 5.252 624 HG12 VAL 87 2HG1 VAL 87 -4.528 5.950 6.900 625 HG13 VAL 87 3HG1 VAL 87 -3.450 4.583 6.615 626 HG21 VAL 87 1HG2 VAL 87 -4.598 3.156 4.691 627 HG22 VAL 87 2HG2 VAL 87 -4.870 2.119 6.091 628 HG23 VAL 87 3HG2 VAL 87 -6.224 2.581 5.060 629 H GLN 88 H GLN 88 -4.446 4.824 9.646 630 HA GLN 88 HA GLN 88 -6.493 6.866 10.200 631 HB2 GLN 88 1HB GLN 88 -4.559 5.401 11.939 632 HB3 GLN 88 2HB GLN 88 -5.030 7.033 12.395 633 HG2 GLN 88 1HG GLN 88 -7.452 6.075 12.000 634 HG3 GLN 88 2HG GLN 88 -6.641 4.542 12.316 635 HE21 GLN 88 1HE2 GLN 88 -7.904 7.412 13.653 636 HE22 GLN 88 2HE2 GLN 88 -7.505 7.094 15.303 637 H GLY 89 H GLY 89 -2.988 6.343 9.957 638 HA2 GLY 89 1HA GLY 89 -2.727 9.146 9.105 639 HA3 GLY 89 2HA GLY 89 -1.693 8.540 10.390 640 H PHE 90 H PHE 90 -1.354 9.478 7.457 641 HA PHE 90 HA PHE 90 0.052 7.133 6.405 642 HB2 PHE 90 1HB PHE 90 -0.020 9.618 4.807 643 HB3 PHE 90 2HB PHE 90 -0.302 7.951 4.314 644 HD1 PHE 90 2HD PHE 90 -2.529 6.980 5.643 645 HD2 PHE 90 1HD PHE 90 -1.801 10.992 4.424 646 HE1 PHE 90 2HE PHE 90 -4.952 7.402 5.600 647 HE2 PHE 90 1HE PHE 90 -4.224 11.422 4.380 648 HZ PHE 90 HZ PHE 90 -5.803 9.625 4.967 649 HA PRO 91 HA PRO 91 1.463 7.315 4.351 650 HB2 PRO 91 1HB PRO 91 3.765 5.879 4.256 651 HB3 PRO 91 2HB PRO 91 3.600 7.480 3.524 652 HG2 PRO 91 1HG PRO 91 4.815 6.714 6.151 653 HG3 PRO 91 2HG PRO 91 5.407 7.864 4.937 654 HD2 PRO 91 1HD PRO 91 4.110 8.651 7.180 655 HD3 PRO 91 2HD PRO 91 3.986 9.535 5.646 656 H THR 92 H THR 92 0.687 5.236 4.263 657 HA THR 92 HA THR 92 1.119 3.529 6.621 658 HB THR 92 HB THR 92 -1.497 4.315 5.369 659 HG1 THR 92 1HG THR 92 -1.425 5.398 7.192 660 HG21 THR 92 1HG2 THR 92 -0.896 1.810 6.938 661 HG22 THR 92 2HG2 THR 92 -1.616 1.932 5.332 662 HG23 THR 92 3HG2 THR 92 -2.519 2.473 6.747 663 H ILE 93 H ILE 93 2.379 1.990 5.709 664 HA ILE 93 HA ILE 93 1.721 0.898 3.100 665 HB ILE 93 HB ILE 93 3.936 0.148 5.012 666 HG12 ILE 93 1HG1 ILE 93 4.320 1.613 2.427 667 HG13 ILE 93 2HG1 ILE 93 3.822 2.505 3.861 668 HG21 ILE 93 1HG2 ILE 93 2.996 -1.014 2.509 669 HG22 ILE 93 2HG2 ILE 93 4.711 -0.606 2.492 670 HG23 ILE 93 3HG2 ILE 93 4.073 -1.681 3.735 671 HD11 ILE 93 1HD1 ILE 93 5.841 1.359 4.985 672 HD12 ILE 93 2HD1 ILE 93 6.376 1.055 3.331 673 HD13 ILE 93 3HD1 ILE 93 6.119 2.710 3.886 674 H LYS 94 H LYS 94 0.906 -1.102 2.698 675 HA LYS 94 HA LYS 94 0.375 -2.870 4.981 676 HB2 LYS 94 1HB LYS 94 -1.611 -1.813 2.988 677 HB3 LYS 94 2HB LYS 94 -1.877 -3.351 3.798 678 HG2 LYS 94 1HG LYS 94 -1.266 -0.921 5.416 679 HG3 LYS 94 2HG LYS 94 -2.891 -1.163 4.770 680 HD2 LYS 94 1HD LYS 94 -2.673 -3.534 5.804 681 HD3 LYS 94 2HD LYS 94 -1.378 -2.811 6.761 682 HE2 LYS 94 1HE LYS 94 -2.974 -1.062 7.502 683 HE3 LYS 94 2HE LYS 94 -4.253 -1.908 6.633 684 HZ1 LYS 94 1HZ LYS 94 -4.012 -3.786 8.054 685 HZ2 LYS 94 2HZ LYS 94 -4.147 -2.419 9.042 686 HZ3 LYS 94 3HZ LYS 94 -2.635 -3.138 8.795 687 H ILE 95 H ILE 95 0.804 -4.958 4.596 688 HA ILE 95 HA ILE 95 1.677 -5.693 1.907 689 HB ILE 95 HB ILE 95 1.983 -7.127 4.546 690 HG12 ILE 95 1HG1 ILE 95 4.199 -6.041 2.834 691 HG13 ILE 95 2HG1 ILE 95 3.334 -4.983 3.943 692 HG21 ILE 95 1HG2 ILE 95 3.609 -8.541 3.162 693 HG22 ILE 95 2HG2 ILE 95 1.885 -8.850 2.970 694 HG23 ILE 95 3HG2 ILE 95 2.753 -7.912 1.755 695 HD11 ILE 95 1HD1 ILE 95 5.350 -5.794 4.975 696 HD12 ILE 95 2HD1 ILE 95 3.947 -6.477 5.797 697 HD13 ILE 95 3HD1 ILE 95 4.873 -7.464 4.667 698 H PHE 96 H PHE 96 0.726 -7.238 0.674 699 HA PHE 96 HA PHE 96 -1.725 -8.471 1.750 700 HB2 PHE 96 1HB PHE 96 -1.112 -7.372 -0.985 701 HB3 PHE 96 2HB PHE 96 -2.409 -8.536 -0.734 702 HD1 PHE 96 1HD PHE 96 -1.168 -5.264 0.535 703 HD2 PHE 96 2HD PHE 96 -4.522 -7.779 -0.203 704 HE1 PHE 96 1HE PHE 96 -2.679 -3.431 1.176 705 HE2 PHE 96 2HE PHE 96 -6.038 -5.950 0.436 706 HZ PHE 96 HZ PHE 96 -5.118 -3.772 1.126 707 H GLY 97 H GLY 97 -1.784 -10.622 1.801 708 HA2 GLY 97 1HA GLY 97 -0.519 -12.245 -0.201 709 HA3 GLY 97 2HA GLY 97 0.335 -12.288 1.334 710 H ALA 98 H ALA 98 -0.595 -13.311 3.104 711 HA ALA 98 HA ALA 98 -1.969 -15.616 2.775 712 HB1 ALA 98 1HB ALA 98 -1.208 -14.024 4.976 713 HB2 ALA 98 2HB ALA 98 -2.891 -14.488 5.230 714 HB3 ALA 98 3HB ALA 98 -1.665 -15.728 4.969 715 H ASN 99 H ASN 99 -3.642 -12.766 4.119 716 HA ASN 99 HA ASN 99 -6.083 -13.680 2.746 717 HB2 ASN 99 1HB ASN 99 -6.131 -13.731 5.254 718 HB3 ASN 99 2HB ASN 99 -5.926 -11.981 5.243 719 HD21 ASN 99 1HD2 ASN 99 -7.908 -11.751 6.319 720 HD22 ASN 99 2HD2 ASN 99 -9.411 -11.923 5.484 721 H LYS 100 H LYS 100 -6.048 -12.527 0.881 722 HA LYS 100 HA LYS 100 -5.115 -9.945 0.491 723 HB2 LYS 100 1HB LYS 100 -7.134 -11.641 -0.932 724 HB3 LYS 100 2HB LYS 100 -6.905 -9.967 -1.422 725 HG2 LYS 100 1HG LYS 100 -4.775 -12.096 -1.348 726 HG3 LYS 100 2HG LYS 100 -5.579 -11.472 -2.790 727 HD2 LYS 100 1HD LYS 100 -4.721 -9.177 -2.054 728 HD3 LYS 100 2HD LYS 100 -3.666 -10.062 -0.950 729 HE2 LYS 100 1HE LYS 100 -3.782 -10.568 -3.918 730 HE3 LYS 100 2HE LYS 100 -2.642 -9.455 -3.163 731 HZ1 LYS 100 1HZ LYS 100 -2.775 -12.169 -2.095 732 HZ2 LYS 100 2HZ LYS 100 -1.444 -11.139 -2.268 733 HZ3 LYS 100 3HZ LYS 100 -2.049 -11.971 -3.611 734 H ASN 101 H ASN 101 -7.971 -11.011 2.067 735 HA ASN 101 HA ASN 101 -9.421 -8.539 1.761 736 HB2 ASN 101 1HB ASN 101 -9.872 -11.018 3.419 737 HB3 ASN 101 2HB ASN 101 -10.914 -9.604 3.541 738 HD21 ASN 101 1HD2 ASN 101 -11.827 -12.113 2.775 739 HD22 ASN 101 2HD2 ASN 101 -12.338 -12.039 1.126 740 H LYS 102 H LYS 102 -7.194 -9.934 4.039 741 HA LYS 102 HA LYS 102 -7.273 -7.435 5.580 742 HB2 LYS 102 1HB LYS 102 -6.997 -10.163 6.847 743 HB3 LYS 102 2HB LYS 102 -7.113 -8.615 7.674 744 HG2 LYS 102 1HG LYS 102 -9.408 -8.373 6.695 745 HG3 LYS 102 2HG LYS 102 -9.266 -10.040 6.133 746 HD2 LYS 102 1HD LYS 102 -8.717 -9.445 9.000 747 HD3 LYS 102 2HD LYS 102 -10.393 -9.465 8.447 748 HE2 LYS 102 1HE LYS 102 -9.732 -11.736 7.370 749 HE3 LYS 102 2HE LYS 102 -8.388 -11.686 8.510 750 HZ1 LYS 102 1HZ LYS 102 -10.293 -12.892 9.399 751 HZ2 LYS 102 2HZ LYS 102 -11.262 -11.515 9.241 752 HZ3 LYS 102 3HZ LYS 102 -9.961 -11.514 10.322 753 HA PRO 103 HA PRO 103 -2.960 -8.126 4.308 754 HB2 PRO 103 1HB PRO 103 -2.292 -5.497 4.420 755 HB3 PRO 103 2HB PRO 103 -3.101 -6.224 3.026 756 HG2 PRO 103 1HG PRO 103 -4.270 -4.636 5.278 757 HG3 PRO 103 2HG PRO 103 -4.619 -4.540 3.542 758 HD2 PRO 103 1HD PRO 103 -6.228 -5.852 5.281 759 HD3 PRO 103 2HD PRO 103 -6.022 -6.368 3.595 760 H GLU 104 H GLU 104 -0.887 -7.371 5.349 761 HA GLU 104 HA GLU 104 -1.227 -7.413 8.261 762 HB2 GLU 104 1HB GLU 104 1.068 -8.163 6.459 763 HB3 GLU 104 2HB GLU 104 1.263 -7.988 8.197 764 HG2 GLU 104 1HG GLU 104 -0.810 -9.805 7.025 765 HG3 GLU 104 2HG GLU 104 0.857 -10.326 7.266 766 H ASP 105 H ASP 105 0.142 -6.086 9.597 767 HA ASP 105 HA ASP 105 0.337 -3.400 8.600 768 HB2 ASP 105 1HB ASP 105 1.121 -4.596 11.266 769 HB3 ASP 105 2HB ASP 105 1.130 -2.873 10.898 770 H TYR 106 H TYR 106 1.978 -2.791 7.357 771 HA TYR 106 HA TYR 106 4.442 -4.137 7.168 772 HB2 TYR 106 1HB TYR 106 3.524 -2.742 5.358 773 HB3 TYR 106 2HB TYR 106 3.763 -1.304 6.346 774 HD1 TYR 106 1HD TYR 106 6.049 -0.500 6.831 775 HD2 TYR 106 2HD TYR 106 5.347 -3.760 4.188 776 HE1 TYR 106 1HE TYR 106 8.328 -0.259 5.937 777 HE2 TYR 106 2HE TYR 106 7.624 -3.528 3.288 778 HH TYR 106 HH TYR 106 10.024 -1.836 4.769 779 H GLN 107 H GLN 107 5.671 -4.322 8.955 780 HA GLN 107 HA GLN 107 6.336 -1.860 10.426 781 HB2 GLN 107 1HB GLN 107 6.271 -4.743 11.304 782 HB3 GLN 107 2HB GLN 107 7.067 -3.488 12.244 783 HG2 GLN 107 1HG GLN 107 4.152 -3.554 11.495 784 HG3 GLN 107 2HG GLN 107 4.829 -3.941 13.076 785 HE21 GLN 107 1HE2 GLN 107 2.975 -1.796 11.967 786 HE22 GLN 107 2HE2 GLN 107 3.617 -0.327 12.610 787 H GLY 108 H GLY 108 7.656 -2.259 8.060 788 HA2 GLY 108 1HA GLY 108 10.337 -3.114 8.967 789 HA3 GLY 108 2HA GLY 108 9.758 -3.378 7.329 790 H GLY 109 H GLY 109 12.068 -2.173 7.384 791 HA2 GLY 109 1HA GLY 109 12.286 0.543 7.830 792 HA3 GLY 109 2HA GLY 109 13.162 -0.321 6.575 793 H ARG 110 H ARG 110 11.843 2.396 6.722 794 HA ARG 110 HA ARG 110 9.875 2.143 4.570 795 HB2 ARG 110 1HB ARG 110 10.609 4.375 6.450 796 HB3 ARG 110 2HB ARG 110 9.634 4.667 5.016 797 HG2 ARG 110 1HG ARG 110 8.138 2.771 5.931 798 HG3 ARG 110 2HG ARG 110 8.968 3.080 7.458 799 HD2 ARG 110 1HD ARG 110 7.643 5.251 5.853 800 HD3 ARG 110 2HD ARG 110 6.788 4.318 7.081 801 HE ARG 110 HE ARG 110 8.907 5.196 8.452 802 HH11 ARG 110 2HH1 ARG 110 6.701 6.845 6.323 803 HH12 ARG 110 1HH1 ARG 110 6.845 8.366 7.139 804 HH21 ARG 110 2HH2 ARG 110 9.105 7.194 9.535 805 HH22 ARG 110 1HH2 ARG 110 8.214 8.564 8.965 806 H THR 111 H THR 111 12.537 1.576 3.891 807 HA THR 111 HA THR 111 13.156 3.854 2.126 808 HB THR 111 HB THR 111 15.569 2.969 2.226 809 HG1 THR 111 1HG THR 111 15.994 1.462 3.656 810 HG21 THR 111 1HG2 THR 111 14.941 5.100 3.194 811 HG22 THR 111 2HG2 THR 111 16.046 4.262 4.283 812 HG23 THR 111 3HG2 THR 111 14.318 4.295 4.634 813 H GLY 112 H GLY 112 13.567 3.403 0.008 814 HA2 GLY 112 1HA GLY 112 12.483 1.391 -1.365 815 HA3 GLY 112 2HA GLY 112 14.000 2.113 -1.882 816 H GLU 113 H GLU 113 15.611 1.166 0.262 817 HA GLU 113 HA GLU 113 16.261 -1.409 -0.746 818 HB2 GLU 113 1HB GLU 113 17.326 -0.546 1.892 819 HB3 GLU 113 2HB GLU 113 18.162 -1.263 0.522 820 HG2 GLU 113 1HG GLU 113 17.577 1.065 -0.586 821 HG3 GLU 113 2HG GLU 113 17.551 1.578 1.100 822 H ALA 114 H ALA 114 15.158 -0.377 2.486 823 HA ALA 114 HA ALA 114 14.839 -2.867 3.633 824 HB1 ALA 114 1HB ALA 114 12.749 -0.904 4.310 825 HB2 ALA 114 2HB ALA 114 13.875 -1.773 5.353 826 HB3 ALA 114 3HB ALA 114 14.413 -0.343 4.473 827 H ILE 115 H ILE 115 12.351 -0.967 1.924 828 HA ILE 115 HA ILE 115 10.231 -2.701 2.093 829 HB ILE 115 HB ILE 115 10.959 -1.081 -0.350 830 HG12 ILE 115 1HG1 ILE 115 9.003 -0.129 1.683 831 HG13 ILE 115 2HG1 ILE 115 10.712 -0.028 2.093 832 HG21 ILE 115 1HG2 ILE 115 9.146 -2.861 -0.526 833 HG22 ILE 115 2HG2 ILE 115 8.206 -1.848 0.569 834 HG23 ILE 115 3HG2 ILE 115 8.708 -1.220 -1.001 835 HD11 ILE 115 1HD1 ILE 115 9.564 1.115 -0.434 836 HD12 ILE 115 2HD1 ILE 115 9.711 2.027 1.069 837 HD13 ILE 115 3HD1 ILE 115 11.155 1.407 0.269 838 H VAL 116 H VAL 116 12.838 -2.725 -0.317 839 HA VAL 116 HA VAL 116 11.917 -4.794 -1.930 840 HB VAL 116 HB VAL 116 14.768 -4.077 -1.234 841 HG11 VAL 116 1HG1 VAL 116 13.863 -5.599 -3.662 842 HG12 VAL 116 2HG1 VAL 116 15.504 -5.377 -3.051 843 HG13 VAL 116 3HG1 VAL 116 14.369 -6.407 -2.178 844 HG21 VAL 116 1HG2 VAL 116 13.869 -3.398 -3.889 845 HG22 VAL 116 2HG2 VAL 116 12.832 -2.665 -2.664 846 HG23 VAL 116 3HG2 VAL 116 14.570 -2.365 -2.643 847 H ASP 117 H ASP 117 13.860 -4.934 1.029 848 HA ASP 117 HA ASP 117 14.189 -7.765 0.970 849 HB2 ASP 117 1HB ASP 117 15.551 -5.929 2.251 850 HB3 ASP 117 2HB ASP 117 14.338 -6.173 3.505 851 H ALA 118 H ALA 118 11.781 -5.595 2.254 852 HA ALA 118 HA ALA 118 10.525 -7.457 4.000 853 HB1 ALA 118 1HB ALA 118 9.043 -5.795 4.473 854 HB2 ALA 118 2HB ALA 118 10.344 -4.821 3.787 855 HB3 ALA 118 3HB ALA 118 8.947 -5.250 2.799 856 H ALA 119 H ALA 119 9.774 -6.336 0.708 857 HA ALA 119 HA ALA 119 7.465 -7.843 0.300 858 HB1 ALA 119 1HB ALA 119 8.993 -6.096 -1.204 859 HB2 ALA 119 2HB ALA 119 9.068 -7.611 -2.105 860 HB3 ALA 119 3HB ALA 119 7.505 -6.893 -1.714 861 H LEU 120 H LEU 120 10.862 -8.686 -0.229 862 HA LEU 120 HA LEU 120 10.412 -11.182 -1.453 863 HB2 LEU 120 1HB LEU 120 12.749 -10.187 0.167 864 HB3 LEU 120 2HB LEU 120 12.748 -11.683 -0.764 865 HG LEU 120 HG LEU 120 12.183 -9.081 -2.127 866 HD11 LEU 120 1HD1 LEU 120 14.161 -8.338 -1.326 867 HD12 LEU 120 2HD1 LEU 120 14.800 -9.357 -2.615 868 HD13 LEU 120 3HD1 LEU 120 14.750 -9.959 -0.958 869 HD21 LEU 120 1HD2 LEU 120 11.875 -10.764 -3.640 870 HD22 LEU 120 2HD2 LEU 120 13.048 -11.829 -2.865 871 HD23 LEU 120 3HD2 LEU 120 13.603 -10.480 -3.857 872 H SER 121 H SER 121 11.431 -10.494 1.899 873 HA SER 121 HA SER 121 11.364 -12.962 3.000 874 HB2 SER 121 1HB SER 121 11.705 -10.599 4.090 875 HB3 SER 121 2HB SER 121 9.998 -10.757 4.505 876 HG SER 121 HG SER 121 10.767 -12.952 5.308 877 H ALA 122 H ALA 122 8.544 -10.914 2.375 878 HA ALA 122 HA ALA 122 6.678 -12.804 3.456 879 HB1 ALA 122 1HB ALA 122 5.092 -11.214 2.023 880 HB2 ALA 122 2HB ALA 122 5.749 -10.737 3.589 881 HB3 ALA 122 3HB ALA 122 6.515 -10.174 2.103 882 H LEU 123 H LEU 123 7.824 -11.947 0.228 883 HA LEU 123 HA LEU 123 6.025 -13.327 -1.345 884 HB2 LEU 123 1HB LEU 123 7.927 -11.846 -2.083 885 HB3 LEU 123 2HB LEU 123 8.989 -13.234 -1.857 886 HG LEU 123 HG LEU 123 8.487 -13.033 -4.186 887 HD11 LEU 123 1HD1 LEU 123 7.863 -15.210 -4.626 888 HD12 LEU 123 2HD1 LEU 123 6.666 -15.242 -3.332 889 HD13 LEU 123 3HD1 LEU 123 8.385 -15.313 -2.945 890 HD21 LEU 123 1HD2 LEU 123 5.977 -12.128 -3.270 891 HD22 LEU 123 2HD2 LEU 123 5.682 -13.570 -4.242 892 HD23 LEU 123 3HD2 LEU 123 6.567 -12.209 -4.931 893 H ARG 124 H ARG 124 9.038 -14.564 0.091 894 HA ARG 124 HA ARG 124 8.626 -17.227 -0.844 895 HB2 ARG 124 1HB ARG 124 10.493 -17.798 0.689 896 HB3 ARG 124 2HB ARG 124 10.869 -16.458 -0.386 897 HG2 ARG 124 1HG ARG 124 10.447 -14.876 1.417 898 HG3 ARG 124 2HG ARG 124 10.038 -16.210 2.497 899 HD2 ARG 124 1HD ARG 124 12.236 -15.845 3.059 900 HD3 ARG 124 2HD ARG 124 12.405 -17.090 1.822 901 HE ARG 124 HE ARG 124 13.189 -14.308 1.621 902 HH11 ARG 124 2HH1 ARG 124 12.568 -17.303 -0.042 903 HH12 ARG 124 1HH1 ARG 124 13.508 -16.876 -1.433 904 HH21 ARG 124 2HH2 ARG 124 14.429 -13.734 -0.205 905 HH22 ARG 124 1HH2 ARG 124 14.567 -14.846 -1.525 906 H SER 125 H SER 125 6.975 -15.506 1.397 907 HA SER 125 HA SER 125 6.562 -17.760 3.226 908 HB2 SER 125 1HB SER 125 7.026 -15.460 4.143 909 HB3 SER 125 2HB SER 125 5.476 -14.948 3.476 910 HG SER 125 HG SER 125 5.970 -16.231 5.772 911 H GLY 126 H GLY 126 4.571 -15.340 1.509 912 HA2 GLY 126 1HA GLY 126 2.363 -15.449 0.838 913 HA3 GLY 126 2HA GLY 126 2.899 -16.958 0.115 914 HA PRO 127 HA PRO 127 -0.374 -18.600 2.667 915 HB2 PRO 127 1HB PRO 127 -0.204 -21.132 1.701 916 HB3 PRO 127 2HB PRO 127 -1.003 -19.821 0.825 917 HG2 PRO 127 1HG PRO 127 1.750 -20.939 0.463 918 HG3 PRO 127 2HG PRO 127 0.558 -20.480 -0.767 919 HD2 PRO 127 1HD PRO 127 2.642 -18.888 -0.093 920 HD3 PRO 127 2HD PRO 127 1.073 -18.239 -0.611 921 H SER 128 H SER 128 -0.520 -20.800 3.933 922 HA SER 128 HA SER 128 1.967 -21.022 5.481 923 HB2 SER 128 1HB SER 128 -0.929 -21.278 6.170 924 HB3 SER 128 2HB SER 128 0.241 -22.202 7.112 925 HG SER 128 HG SER 128 -0.010 -19.409 6.836 926 H SER 129 H SER 129 -0.600 -22.951 3.994 927 HA SER 129 HA SER 129 0.616 -25.460 4.638 928 HB2 SER 129 1HB SER 129 -1.645 -24.651 2.814 929 HB3 SER 129 2HB SER 129 -1.074 -26.317 2.903 930 HG SER 129 HG SER 129 -1.408 -26.009 5.279 931 H GLY 130 H GLY 130 0.057 -23.855 1.494 932 HA2 GLY 130 1HA GLY 130 2.689 -24.183 0.558 933 HA3 GLY 130 2HA GLY 130 1.730 -25.551 0.011 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -24.115 7.894 -21.058 2 HA2 GLY 1 1HA GLY 1 -22.426 5.587 -21.529 3 HA3 GLY 1 2HA GLY 1 -21.788 7.100 -22.155 4 H SER 2 H SER 2 -21.864 5.067 -19.524 5 HA SER 2 HA SER 2 -21.819 6.842 -17.348 6 HB2 SER 2 1HB SER 2 -20.377 4.191 -17.587 7 HB3 SER 2 2HB SER 2 -20.812 5.017 -16.090 8 HG SER 2 HG SER 2 -23.058 4.860 -17.194 9 H SER 3 H SER 3 -20.552 8.632 -17.830 10 HA SER 3 HA SER 3 -17.747 8.262 -18.484 11 HB2 SER 3 1HB SER 3 -17.689 10.736 -18.589 12 HB3 SER 3 2HB SER 3 -18.965 10.061 -19.602 13 HG SER 3 HG SER 3 -20.051 10.449 -17.257 14 H GLY 4 H GLY 4 -16.034 8.673 -17.153 15 HA2 GLY 4 1HA GLY 4 -16.696 9.300 -14.340 16 HA3 GLY 4 2HA GLY 4 -15.481 8.113 -14.792 17 H SER 5 H SER 5 -16.242 11.512 -15.569 18 HA SER 5 HA SER 5 -13.742 12.371 -16.281 19 HB2 SER 5 1HB SER 5 -15.926 13.827 -14.786 20 HB3 SER 5 2HB SER 5 -14.467 14.631 -15.366 21 HG SER 5 HG SER 5 -15.881 13.069 -17.188 22 H SER 6 H SER 6 -15.073 12.150 -13.003 23 HA SER 6 HA SER 6 -13.230 13.336 -11.448 24 HB2 SER 6 1HB SER 6 -14.628 10.697 -11.080 25 HB3 SER 6 2HB SER 6 -13.536 11.323 -9.845 26 HG SER 6 HG SER 6 -15.491 13.043 -10.849 27 H GLY 7 H GLY 7 -11.090 13.400 -11.658 28 HA2 GLY 7 1HA GLY 7 -9.651 10.835 -11.864 29 HA3 GLY 7 2HA GLY 7 -9.231 12.172 -12.924 30 H ALA 8 H ALA 8 -7.084 11.824 -11.938 31 HA ALA 8 HA ALA 8 -6.731 12.589 -9.180 32 HB1 ALA 8 1HB ALA 8 -4.446 12.114 -9.479 33 HB2 ALA 8 2HB ALA 8 -5.302 10.918 -10.453 34 HB3 ALA 8 3HB ALA 8 -4.550 12.312 -11.228 35 H VAL 9 H VAL 9 -5.113 14.322 -8.629 36 HA VAL 9 HA VAL 9 -5.281 16.614 -10.463 37 HB VAL 9 HB VAL 9 -5.811 18.133 -8.678 38 HG11 VAL 9 1HG1 VAL 9 -7.901 16.357 -7.877 39 HG12 VAL 9 2HG1 VAL 9 -7.967 17.714 -9.003 40 HG13 VAL 9 3HG1 VAL 9 -7.546 16.103 -9.585 41 HG21 VAL 9 1HG2 VAL 9 -6.486 16.954 -6.422 42 HG22 VAL 9 2HG2 VAL 9 -5.318 15.748 -6.964 43 HG23 VAL 9 3HG2 VAL 9 -4.816 17.424 -6.739 44 H SER 10 H SER 10 -3.640 14.977 -7.839 45 HA SER 10 HA SER 10 -1.262 16.638 -8.362 46 HB2 SER 10 1HB SER 10 -2.382 15.594 -5.781 47 HB3 SER 10 2HB SER 10 -0.650 15.889 -5.933 48 HG SER 10 HG SER 10 -1.148 17.880 -5.512 49 H GLY 11 H GLY 11 -2.343 13.444 -7.218 50 HA2 GLY 11 1HA GLY 11 -1.157 11.439 -7.152 51 HA3 GLY 11 2HA GLY 11 -1.102 11.770 -8.877 52 H LEU 12 H LEU 12 0.656 11.988 -5.853 53 HA LEU 12 HA LEU 12 2.984 13.229 -6.662 54 HB2 LEU 12 1HB LEU 12 2.885 10.852 -4.818 55 HB3 LEU 12 2HB LEU 12 4.077 12.151 -4.833 56 HG LEU 12 HG LEU 12 1.172 12.516 -4.105 57 HD11 LEU 12 1HD1 LEU 12 3.549 12.356 -2.262 58 HD12 LEU 12 2HD1 LEU 12 2.407 11.039 -2.530 59 HD13 LEU 12 3HD1 LEU 12 1.855 12.552 -1.812 60 HD21 LEU 12 1HD2 LEU 12 3.577 14.303 -4.136 61 HD22 LEU 12 2HD2 LEU 12 2.224 14.615 -3.048 62 HD23 LEU 12 3HD2 LEU 12 1.966 14.592 -4.794 63 H TYR 13 H TYR 13 1.976 9.889 -7.133 64 HA TYR 13 HA TYR 13 4.493 9.257 -8.470 65 HB2 TYR 13 1HB TYR 13 2.116 7.477 -7.898 66 HB3 TYR 13 2HB TYR 13 3.683 6.953 -8.502 67 HD1 TYR 13 2HD TYR 13 2.185 8.778 -5.607 68 HD2 TYR 13 1HD TYR 13 5.249 6.168 -6.990 69 HE1 TYR 13 2HE TYR 13 2.972 8.485 -3.295 70 HE2 TYR 13 1HE TYR 13 6.043 5.868 -4.682 71 HH TYR 13 HH TYR 13 5.895 6.652 -2.567 72 H SER 14 H SER 14 4.105 7.731 -10.475 73 HA SER 14 HA SER 14 1.926 8.659 -12.166 74 HB2 SER 14 1HB SER 14 4.840 9.128 -12.829 75 HB3 SER 14 2HB SER 14 3.536 9.240 -14.011 76 HG SER 14 HG SER 14 4.370 11.108 -12.347 77 H SER 15 H SER 15 2.009 7.528 -14.341 78 HA SER 15 HA SER 15 2.176 4.735 -13.907 79 HB2 SER 15 1HB SER 15 1.693 6.421 -16.357 80 HB3 SER 15 2HB SER 15 1.785 4.663 -16.450 81 HG SER 15 HG SER 15 -0.358 5.815 -16.053 82 H SER 16 H SER 16 4.256 7.056 -15.550 83 HA SER 16 HA SER 16 5.968 5.462 -16.951 84 HB2 SER 16 1HB SER 16 6.018 8.016 -16.628 85 HB3 SER 16 2HB SER 16 7.025 7.690 -15.217 86 HG SER 16 HG SER 16 8.346 8.016 -16.999 87 H ASP 17 H ASP 17 6.306 6.302 -13.505 88 HA ASP 17 HA ASP 17 8.580 4.818 -12.945 89 HB2 ASP 17 1HB ASP 17 6.405 4.916 -10.903 90 HB3 ASP 17 2HB ASP 17 8.132 5.210 -10.718 91 H ASP 18 H ASP 18 8.243 2.948 -11.103 92 HA ASP 18 HA ASP 18 7.081 0.748 -12.616 93 HB2 ASP 18 1HB ASP 18 8.689 0.656 -10.056 94 HB3 ASP 18 2HB ASP 18 8.298 -0.706 -11.101 95 H VAL 19 H VAL 19 6.278 2.765 -10.004 96 HA VAL 19 HA VAL 19 4.704 0.956 -8.477 97 HB VAL 19 HB VAL 19 4.560 3.968 -8.654 98 HG11 VAL 19 1HG1 VAL 19 2.636 2.332 -7.626 99 HG12 VAL 19 2HG1 VAL 19 3.638 2.648 -6.209 100 HG13 VAL 19 3HG1 VAL 19 2.934 3.992 -7.110 101 HG21 VAL 19 1HG2 VAL 19 6.638 2.513 -7.740 102 HG22 VAL 19 2HG2 VAL 19 6.194 4.096 -7.102 103 HG23 VAL 19 3HG2 VAL 19 5.666 2.631 -6.273 104 H ILE 20 H ILE 20 2.690 0.242 -8.781 105 HA ILE 20 HA ILE 20 1.270 1.050 -11.178 106 HB ILE 20 HB ILE 20 0.683 -1.079 -9.120 107 HG12 ILE 20 1HG1 ILE 20 1.425 -1.390 -12.030 108 HG13 ILE 20 2HG1 ILE 20 2.622 -1.365 -10.740 109 HG21 ILE 20 1HG2 ILE 20 -1.378 -0.102 -10.119 110 HG22 ILE 20 2HG2 ILE 20 -0.781 -0.583 -11.706 111 HG23 ILE 20 3HG2 ILE 20 -1.142 -1.809 -10.491 112 HD11 ILE 20 1HD1 ILE 20 1.715 -3.349 -9.774 113 HD12 ILE 20 2HD1 ILE 20 0.347 -3.323 -10.888 114 HD13 ILE 20 3HD1 ILE 20 1.973 -3.634 -11.495 115 H GLU 21 H GLU 21 -0.256 2.552 -11.214 116 HA GLU 21 HA GLU 21 -1.136 3.889 -8.876 117 HB2 GLU 21 1HB GLU 21 -0.992 4.713 -11.351 118 HB3 GLU 21 2HB GLU 21 -2.614 4.049 -11.479 119 HG2 GLU 21 1HG GLU 21 -3.320 5.486 -9.607 120 HG3 GLU 21 2HG GLU 21 -1.704 6.190 -9.570 121 H LEU 22 H LEU 22 -2.147 2.494 -7.469 122 HA LEU 22 HA LEU 22 -4.290 0.777 -8.322 123 HB2 LEU 22 1HB LEU 22 -3.131 1.494 -5.647 124 HB3 LEU 22 2HB LEU 22 -4.568 0.486 -5.799 125 HG LEU 22 HG LEU 22 -1.834 -0.163 -6.900 126 HD11 LEU 22 1HD1 LEU 22 -2.541 -0.271 -4.308 127 HD12 LEU 22 2HD1 LEU 22 -1.420 -1.402 -5.064 128 HD13 LEU 22 3HD1 LEU 22 -3.112 -1.849 -4.849 129 HD21 LEU 22 1HD2 LEU 22 -3.537 -1.101 -8.312 130 HD22 LEU 22 2HD2 LEU 22 -4.424 -1.707 -6.913 131 HD23 LEU 22 3HD2 LEU 22 -2.849 -2.389 -7.322 132 H THR 23 H THR 23 -6.464 1.044 -8.035 133 HA THR 23 HA THR 23 -7.412 3.510 -6.768 134 HB THR 23 HB THR 23 -8.542 4.332 -8.575 135 HG1 THR 23 1HG THR 23 -9.070 2.833 -10.404 136 HG21 THR 23 1HG2 THR 23 -7.203 3.891 -10.700 137 HG22 THR 23 2HG2 THR 23 -6.223 2.797 -9.724 138 HG23 THR 23 3HG2 THR 23 -6.309 4.510 -9.312 139 HA PRO 24 HA PRO 24 -10.659 1.054 -5.129 140 HB2 PRO 24 1HB PRO 24 -12.772 2.757 -5.192 141 HB3 PRO 24 2HB PRO 24 -11.424 2.941 -4.064 142 HG2 PRO 24 1HG PRO 24 -11.935 4.354 -6.654 143 HG3 PRO 24 2HG PRO 24 -11.363 5.017 -5.112 144 HD2 PRO 24 1HD PRO 24 -9.693 4.473 -7.172 145 HD3 PRO 24 2HD PRO 24 -9.194 4.326 -5.474 146 H SER 25 H SER 25 -10.321 1.316 -8.237 147 HA SER 25 HA SER 25 -12.966 0.188 -8.886 148 HB2 SER 25 1HB SER 25 -11.273 2.157 -10.339 149 HB3 SER 25 2HB SER 25 -12.144 0.972 -11.312 150 HG SER 25 HG SER 25 -14.019 1.816 -10.701 151 H ASN 26 H ASN 26 -9.535 -0.153 -9.009 152 HA ASN 26 HA ASN 26 -9.862 -2.739 -10.383 153 HB2 ASN 26 1HB ASN 26 -7.306 -2.239 -10.948 154 HB3 ASN 26 2HB ASN 26 -8.614 -1.663 -11.977 155 HD21 ASN 26 1HD2 ASN 26 -5.988 -0.808 -10.008 156 HD22 ASN 26 2HD2 ASN 26 -6.167 0.908 -10.104 157 H PHE 27 H PHE 27 -8.768 -1.046 -7.644 158 HA PHE 27 HA PHE 27 -6.660 -2.290 -6.572 159 HB2 PHE 27 1HB PHE 27 -8.156 -0.640 -5.408 160 HB3 PHE 27 2HB PHE 27 -9.240 -1.975 -5.029 161 HD1 PHE 27 1HD PHE 27 -8.116 -4.006 -3.810 162 HD2 PHE 27 2HD PHE 27 -6.538 -0.054 -3.885 163 HE1 PHE 27 1HE PHE 27 -6.810 -4.492 -1.782 164 HE2 PHE 27 2HE PHE 27 -5.229 -0.534 -1.858 165 HZ PHE 27 HZ PHE 27 -5.364 -2.756 -0.804 166 H ASN 28 H ASN 28 -9.827 -3.748 -7.012 167 HA ASN 28 HA ASN 28 -9.096 -6.183 -5.647 168 HB2 ASN 28 1HB ASN 28 -11.372 -5.774 -5.439 169 HB3 ASN 28 2HB ASN 28 -11.526 -5.204 -7.098 170 HD21 ASN 28 1HD2 ASN 28 -11.376 -7.977 -5.018 171 HD22 ASN 28 2HD2 ASN 28 -11.925 -9.132 -6.180 172 H ARG 29 H ARG 29 -9.507 -5.105 -8.988 173 HA ARG 29 HA ARG 29 -8.913 -7.696 -10.088 174 HB2 ARG 29 1HB ARG 29 -9.552 -5.000 -11.157 175 HB3 ARG 29 2HB ARG 29 -8.629 -6.071 -12.203 176 HG2 ARG 29 1HG ARG 29 -10.367 -7.483 -12.529 177 HG3 ARG 29 2HG ARG 29 -11.031 -7.213 -10.916 178 HD2 ARG 29 1HD ARG 29 -12.240 -5.396 -11.568 179 HD3 ARG 29 2HD ARG 29 -11.075 -4.931 -12.807 180 HE ARG 29 HE ARG 29 -13.337 -6.690 -13.117 181 HH11 ARG 29 2HH1 ARG 29 -10.249 -5.708 -14.388 182 HH12 ARG 29 1HH1 ARG 29 -10.584 -6.268 -15.993 183 HH21 ARG 29 2HH2 ARG 29 -13.791 -7.432 -15.226 184 HH22 ARG 29 1HH2 ARG 29 -12.599 -7.248 -16.469 185 H GLU 30 H GLU 30 -7.048 -5.345 -8.674 186 HA GLU 30 HA GLU 30 -4.693 -5.984 -10.318 187 HB2 GLU 30 1HB GLU 30 -5.497 -3.611 -8.718 188 HB3 GLU 30 2HB GLU 30 -3.784 -4.005 -8.763 189 HG2 GLU 30 1HG GLU 30 -5.418 -3.745 -11.263 190 HG3 GLU 30 2HG GLU 30 -4.660 -2.356 -10.487 191 H VAL 31 H VAL 31 -5.726 -5.601 -6.936 192 HA VAL 31 HA VAL 31 -3.401 -7.164 -6.072 193 HB VAL 31 HB VAL 31 -5.400 -5.597 -4.436 194 HG11 VAL 31 1HG1 VAL 31 -3.678 -5.941 -2.619 195 HG12 VAL 31 2HG1 VAL 31 -4.615 -7.366 -3.073 196 HG13 VAL 31 3HG1 VAL 31 -2.960 -7.175 -3.655 197 HG21 VAL 31 1HG2 VAL 31 -2.528 -4.871 -4.606 198 HG22 VAL 31 2HG2 VAL 31 -3.552 -4.495 -5.991 199 HG23 VAL 31 3HG2 VAL 31 -3.946 -3.843 -4.401 200 H ILE 32 H ILE 32 -6.834 -6.970 -5.114 201 HA ILE 32 HA ILE 32 -7.044 -9.403 -3.854 202 HB ILE 32 HB ILE 32 -9.194 -8.147 -5.562 203 HG12 ILE 32 1HG1 ILE 32 -8.212 -6.577 -3.907 204 HG13 ILE 32 2HG1 ILE 32 -9.894 -6.965 -3.560 205 HG21 ILE 32 1HG2 ILE 32 -9.948 -10.284 -5.012 206 HG22 ILE 32 2HG2 ILE 32 -9.216 -10.232 -3.410 207 HG23 ILE 32 3HG2 ILE 32 -10.645 -9.259 -3.757 208 HD11 ILE 32 1HD1 ILE 32 -8.790 -7.000 -1.496 209 HD12 ILE 32 2HD1 ILE 32 -9.002 -8.695 -1.939 210 HD13 ILE 32 3HD1 ILE 32 -7.431 -7.919 -2.144 211 H GLN 33 H GLN 33 -7.080 -8.719 -7.291 212 HA GLN 33 HA GLN 33 -7.630 -11.526 -7.901 213 HB2 GLN 33 1HB GLN 33 -7.524 -9.040 -9.602 214 HB3 GLN 33 2HB GLN 33 -7.625 -10.652 -10.297 215 HG2 GLN 33 1HG GLN 33 -9.665 -9.072 -8.857 216 HG3 GLN 33 2HG GLN 33 -9.828 -10.138 -10.251 217 HE21 GLN 33 1HE2 GLN 33 -10.485 -9.784 -7.032 218 HE22 GLN 33 2HE2 GLN 33 -10.780 -11.436 -6.622 219 H SER 34 H SER 34 -5.110 -10.678 -6.693 220 HA SER 34 HA SER 34 -3.304 -11.680 -8.784 221 HB2 SER 34 1HB SER 34 -2.932 -9.266 -8.596 222 HB3 SER 34 2HB SER 34 -2.690 -9.427 -6.856 223 HG SER 34 HG SER 34 -1.110 -10.975 -8.565 224 H ASP 35 H ASP 35 -3.139 -13.722 -7.975 225 HA ASP 35 HA ASP 35 -3.056 -14.542 -5.348 226 HB2 ASP 35 1HB ASP 35 -3.092 -15.937 -7.527 227 HB3 ASP 35 2HB ASP 35 -1.335 -15.859 -7.433 228 H GLY 36 H GLY 36 -0.550 -13.045 -7.245 229 HA2 GLY 36 1HA GLY 36 1.645 -13.755 -5.580 230 HA3 GLY 36 2HA GLY 36 1.616 -12.445 -6.752 231 H LEU 37 H LEU 37 3.017 -11.751 -4.733 232 HA LEU 37 HA LEU 37 1.477 -10.696 -2.536 233 HB2 LEU 37 1HB LEU 37 3.972 -11.538 -2.641 234 HB3 LEU 37 2HB LEU 37 4.284 -9.859 -3.073 235 HG LEU 37 HG LEU 37 2.995 -9.285 -0.919 236 HD11 LEU 37 1HD1 LEU 37 2.037 -11.435 -0.451 237 HD12 LEU 37 2HD1 LEU 37 3.192 -11.042 0.822 238 HD13 LEU 37 3HD1 LEU 37 3.631 -12.192 -0.441 239 HD21 LEU 37 1HD2 LEU 37 5.394 -10.513 0.080 240 HD22 LEU 37 2HD2 LEU 37 5.029 -8.806 -0.168 241 HD23 LEU 37 3HD2 LEU 37 5.692 -9.767 -1.490 242 H TRP 38 H TRP 38 0.974 -8.575 -2.125 243 HA TRP 38 HA TRP 38 1.630 -6.608 -4.210 244 HB2 TRP 38 1HB TRP 38 -1.024 -7.547 -3.350 245 HB3 TRP 38 2HB TRP 38 -0.852 -5.795 -3.400 246 HD1 TRP 38 HD TRP 38 -1.014 -8.853 -5.656 247 HE1 TRP 38 1HE TRP 38 -1.238 -8.078 -8.100 248 HE3 TRP 38 3HE TRP 38 -0.225 -3.846 -4.994 249 HZ2 TRP 38 2HZ TRP 38 -1.099 -5.663 -9.555 250 HZ3 TRP 38 3HZ TRP 38 -0.287 -2.372 -6.963 251 HH2 TRP 38 HH TRP 38 -0.714 -3.264 -9.196 252 H LEU 39 H LEU 39 2.388 -4.739 -3.445 253 HA LEU 39 HA LEU 39 2.099 -4.214 -0.562 254 HB2 LEU 39 1HB LEU 39 4.336 -3.881 -2.473 255 HB3 LEU 39 2HB LEU 39 4.158 -2.646 -1.228 256 HG LEU 39 HG LEU 39 4.394 -5.591 -0.631 257 HD11 LEU 39 1HD1 LEU 39 6.661 -3.805 -0.064 258 HD12 LEU 39 2HD1 LEU 39 6.382 -4.164 -1.768 259 HD13 LEU 39 3HD1 LEU 39 6.640 -5.479 -0.621 260 HD21 LEU 39 1HD2 LEU 39 3.468 -4.617 1.244 261 HD22 LEU 39 2HD2 LEU 39 4.302 -3.083 0.992 262 HD23 LEU 39 3HD2 LEU 39 5.194 -4.485 1.586 263 H VAL 40 H VAL 40 0.436 -2.836 -0.347 264 HA VAL 40 HA VAL 40 0.260 -0.541 -2.173 265 HB VAL 40 HB VAL 40 -1.825 -1.464 -0.196 266 HG11 VAL 40 1HG1 VAL 40 -3.273 -0.160 -1.896 267 HG12 VAL 40 2HG1 VAL 40 -2.315 0.744 -0.722 268 HG13 VAL 40 3HG1 VAL 40 -1.748 0.578 -2.384 269 HG21 VAL 40 1HG2 VAL 40 -1.469 -3.248 -1.774 270 HG22 VAL 40 2HG2 VAL 40 -2.981 -2.431 -2.167 271 HG23 VAL 40 3HG2 VAL 40 -1.535 -2.118 -3.126 272 H GLU 41 H GLU 41 0.914 1.385 -1.493 273 HA GLU 41 HA GLU 41 1.163 1.837 1.406 274 HB2 GLU 41 1HB GLU 41 3.324 1.997 0.514 275 HB3 GLU 41 2HB GLU 41 2.765 2.821 -0.935 276 HG2 GLU 41 1HG GLU 41 2.093 4.711 0.707 277 HG3 GLU 41 2HG GLU 41 3.218 3.913 1.805 278 H PHE 42 H PHE 42 -0.316 3.140 2.237 279 HA PHE 42 HA PHE 42 -1.865 4.895 0.534 280 HB2 PHE 42 1HB PHE 42 -2.028 4.339 3.503 281 HB3 PHE 42 2HB PHE 42 -3.157 5.352 2.610 282 HD1 PHE 42 1HD PHE 42 -2.005 1.927 3.201 283 HD2 PHE 42 2HD PHE 42 -4.813 4.390 1.159 284 HE1 PHE 42 1HE PHE 42 -3.355 -0.060 2.667 285 HE2 PHE 42 2HE PHE 42 -6.167 2.408 0.622 286 HZ PHE 42 HZ PHE 42 -5.440 0.179 1.377 287 H TYR 43 H TYR 43 -0.731 6.661 -0.073 288 HA TYR 43 HA TYR 43 0.605 8.230 2.026 289 HB2 TYR 43 1HB TYR 43 2.024 9.141 0.373 290 HB3 TYR 43 2HB TYR 43 1.908 7.430 -0.024 291 HD1 TYR 43 1HD TYR 43 0.461 10.748 -0.897 292 HD2 TYR 43 2HD TYR 43 1.263 6.767 -2.166 293 HE1 TYR 43 1HE TYR 43 -0.268 11.333 -3.172 294 HE2 TYR 43 2HE TYR 43 0.537 7.341 -4.445 295 HH TYR 43 HH TYR 43 0.234 9.237 -5.858 296 H ALA 44 H ALA 44 0.589 10.658 1.540 297 HA ALA 44 HA ALA 44 -2.046 11.490 0.527 298 HB1 ALA 44 1HB ALA 44 -2.525 11.720 2.740 299 HB2 ALA 44 2HB ALA 44 -0.841 11.983 3.193 300 HB3 ALA 44 3HB ALA 44 -1.770 13.288 2.455 301 HA PRO 45 HA PRO 45 0.582 14.198 -1.841 302 HB2 PRO 45 1HB PRO 45 -1.431 15.459 -3.157 303 HB3 PRO 45 2HB PRO 45 -0.875 13.835 -3.580 304 HG2 PRO 45 1HG PRO 45 -3.242 14.661 -1.943 305 HG3 PRO 45 2HG PRO 45 -3.127 13.404 -3.189 306 HD2 PRO 45 1HD PRO 45 -3.061 12.840 -0.541 307 HD3 PRO 45 2HD PRO 45 -2.174 11.882 -1.744 308 H TRP 46 H TRP 46 -1.164 14.903 0.819 309 HA TRP 46 HA TRP 46 -0.668 17.799 0.576 310 HB2 TRP 46 1HB TRP 46 -2.474 18.079 2.292 311 HB3 TRP 46 2HB TRP 46 -3.039 17.441 0.750 312 HD1 TRP 46 HD TRP 46 -4.436 15.285 0.853 313 HE1 TRP 46 1HE TRP 46 -4.987 13.548 2.671 314 HE3 TRP 46 3HE TRP 46 -1.279 16.923 4.525 315 HZ2 TRP 46 2HZ TRP 46 -4.190 12.952 5.313 316 HZ3 TRP 46 3HZ TRP 46 -1.234 15.715 6.668 317 HH2 TRP 46 HH TRP 46 -2.660 13.771 7.051 318 H CYS 47 H CYS 47 0.090 14.925 2.207 319 HA CYS 47 HA CYS 47 0.950 16.214 4.658 320 HB2 CYS 47 1HB CYS 47 0.041 13.721 4.185 321 HB3 CYS 47 2HB CYS 47 1.772 13.426 4.072 322 HG CYS 47 HG CYS 47 2.365 14.268 6.633 323 H GLY 48 H GLY 48 3.243 15.443 5.435 324 HA2 GLY 48 1HA GLY 48 5.106 16.351 3.357 325 HA3 GLY 48 2HA GLY 48 5.405 16.370 5.089 326 H HIS 49 H HIS 49 5.514 14.158 6.127 327 HA HIS 49 HA HIS 49 7.626 12.706 5.187 328 HB2 HIS 49 1HB HIS 49 6.551 10.759 6.544 329 HB3 HIS 49 2HB HIS 49 7.038 12.227 7.386 330 HD1 HIS 49 1HD HIS 49 5.361 12.643 9.149 331 HD2 HIS 49 2HD HIS 49 3.591 11.397 5.603 332 HE1 HIS 49 1HE HIS 49 2.883 12.732 9.567 333 HE2 HIS 49 2HE HIS 49 1.835 11.893 7.436 334 H CYS 50 H CYS 50 4.416 12.683 3.997 335 HA CYS 50 HA CYS 50 4.579 10.097 2.735 336 HB2 CYS 50 1HB CYS 50 2.588 12.354 2.627 337 HB3 CYS 50 2HB CYS 50 2.458 10.960 1.562 338 HG CYS 50 HG CYS 50 2.017 9.111 3.525 339 H GLN 51 H GLN 51 4.705 13.481 1.668 340 HA GLN 51 HA GLN 51 5.057 12.920 -1.075 341 HB2 GLN 51 1HB GLN 51 5.829 15.345 0.552 342 HB3 GLN 51 2HB GLN 51 5.893 15.271 -1.203 343 HG2 GLN 51 1HG GLN 51 3.553 15.098 -1.385 344 HG3 GLN 51 2HG GLN 51 3.370 14.754 0.335 345 HE21 GLN 51 1HE2 GLN 51 1.784 16.519 0.126 346 HE22 GLN 51 2HE2 GLN 51 2.341 18.144 0.310 347 H ARG 52 H ARG 52 7.228 12.908 1.616 348 HA ARG 52 HA ARG 52 9.602 12.987 -0.054 349 HB2 ARG 52 1HB ARG 52 10.828 12.766 2.074 350 HB3 ARG 52 2HB ARG 52 9.687 14.103 2.103 351 HG2 ARG 52 1HG ARG 52 9.278 13.182 4.144 352 HG3 ARG 52 2HG ARG 52 8.104 12.295 3.170 353 HD2 ARG 52 1HD ARG 52 9.098 10.578 4.326 354 HD3 ARG 52 2HD ARG 52 10.082 10.611 2.863 355 HE ARG 52 HE ARG 52 10.884 11.497 5.528 356 HH11 ARG 52 2HH1 ARG 52 11.650 11.085 2.158 357 HH12 ARG 52 1HH1 ARG 52 13.358 11.261 2.390 358 HH21 ARG 52 2HH2 ARG 52 13.130 11.731 5.847 359 HH22 ARG 52 1HH2 ARG 52 14.199 11.628 4.489 360 H LEU 53 H LEU 53 7.371 10.692 0.680 361 HA LEU 53 HA LEU 53 9.314 8.494 0.785 362 HB2 LEU 53 1HB LEU 53 7.502 8.589 2.487 363 HB3 LEU 53 2HB LEU 53 6.328 8.397 1.187 364 HG LEU 53 HG LEU 53 7.276 6.181 0.686 365 HD11 LEU 53 1HD1 LEU 53 9.434 7.105 2.215 366 HD12 LEU 53 2HD1 LEU 53 9.238 5.517 1.474 367 HD13 LEU 53 3HD1 LEU 53 8.712 5.785 3.136 368 HD21 LEU 53 1HD2 LEU 53 6.586 6.388 3.608 369 HD22 LEU 53 2HD2 LEU 53 6.279 5.043 2.509 370 HD23 LEU 53 3HD2 LEU 53 5.393 6.557 2.320 371 H THR 54 H THR 54 7.972 10.241 -1.523 372 HA THR 54 HA THR 54 6.679 8.395 -3.220 373 HB THR 54 HB THR 54 8.227 10.593 -4.475 374 HG1 THR 54 1HG THR 54 6.307 11.945 -3.622 375 HG21 THR 54 1HG2 THR 54 5.311 10.438 -4.761 376 HG22 THR 54 2HG2 THR 54 6.170 8.979 -5.256 377 HG23 THR 54 3HG2 THR 54 6.568 10.530 -5.994 378 HA PRO 55 HA PRO 55 11.021 7.948 -5.335 379 HB2 PRO 55 1HB PRO 55 13.165 8.728 -3.864 380 HB3 PRO 55 2HB PRO 55 12.308 9.815 -4.963 381 HG2 PRO 55 1HG PRO 55 12.067 9.549 -1.991 382 HG3 PRO 55 2HG PRO 55 12.130 11.018 -2.981 383 HD2 PRO 55 1HD PRO 55 9.810 10.015 -2.010 384 HD3 PRO 55 2HD PRO 55 9.903 10.875 -3.560 385 H GLU 56 H GLU 56 11.097 7.679 -1.789 386 HA GLU 56 HA GLU 56 12.760 5.419 -1.654 387 HB2 GLU 56 1HB GLU 56 10.638 6.419 0.249 388 HB3 GLU 56 2HB GLU 56 11.748 5.108 0.622 389 HG2 GLU 56 1HG GLU 56 13.634 6.591 0.451 390 HG3 GLU 56 2HG GLU 56 12.592 7.910 -0.079 391 H TRP 57 H TRP 57 9.284 5.760 -2.049 392 HA TRP 57 HA TRP 57 8.747 2.956 -1.753 393 HB2 TRP 57 1HB TRP 57 7.104 4.831 -1.286 394 HB3 TRP 57 2HB TRP 57 6.952 5.022 -3.030 395 HD1 TRP 57 HD TRP 57 4.817 3.903 -3.856 396 HE1 TRP 57 1HE TRP 57 3.501 1.766 -3.283 397 HE3 TRP 57 3HE TRP 57 7.750 2.136 -0.059 398 HZ2 TRP 57 2HZ TRP 57 3.683 -0.383 -1.462 399 HZ3 TRP 57 3HZ TRP 57 7.109 0.034 1.046 400 HH2 TRP 57 HH TRP 57 5.117 -1.198 0.358 401 H LYS 58 H LYS 58 8.970 5.209 -4.485 402 HA LYS 58 HA LYS 58 8.260 3.524 -6.554 403 HB2 LYS 58 1HB LYS 58 10.066 5.889 -6.336 404 HB3 LYS 58 2HB LYS 58 10.093 4.955 -7.826 405 HG2 LYS 58 1HG LYS 58 7.770 5.366 -8.206 406 HG3 LYS 58 2HG LYS 58 7.594 6.117 -6.619 407 HD2 LYS 58 1HD LYS 58 9.630 7.265 -8.443 408 HD3 LYS 58 2HD LYS 58 7.935 7.533 -8.857 409 HE2 LYS 58 1HE LYS 58 7.554 8.438 -6.598 410 HE3 LYS 58 2HE LYS 58 9.264 8.214 -6.235 411 HZ1 LYS 58 1HZ LYS 58 8.350 10.499 -7.081 412 HZ2 LYS 58 2HZ LYS 58 8.538 9.782 -8.601 413 HZ3 LYS 58 3HZ LYS 58 9.870 9.941 -7.570 414 H LYS 59 H LYS 59 11.525 4.059 -5.235 415 HA LYS 59 HA LYS 59 13.011 2.416 -6.827 416 HB2 LYS 59 1HB LYS 59 13.183 3.113 -3.924 417 HB3 LYS 59 2HB LYS 59 14.275 1.896 -4.573 418 HG2 LYS 59 1HG LYS 59 15.080 3.513 -6.229 419 HG3 LYS 59 2HG LYS 59 14.003 4.734 -5.545 420 HD2 LYS 59 1HD LYS 59 16.011 3.306 -3.834 421 HD3 LYS 59 2HD LYS 59 16.472 4.710 -4.800 422 HE2 LYS 59 1HE LYS 59 14.532 5.919 -3.698 423 HE3 LYS 59 2HE LYS 59 14.448 4.559 -2.579 424 HZ1 LYS 59 1HZ LYS 59 15.917 6.709 -2.125 425 HZ2 LYS 59 2HZ LYS 59 17.065 5.779 -2.949 426 HZ3 LYS 59 3HZ LYS 59 16.340 5.177 -1.545 427 H ALA 60 H ALA 60 11.403 1.386 -3.813 428 HA ALA 60 HA ALA 60 11.998 -1.307 -3.915 429 HB1 ALA 60 1HB ALA 60 10.759 0.071 -2.113 430 HB2 ALA 60 2HB ALA 60 9.302 -0.388 -2.995 431 HB3 ALA 60 3HB ALA 60 10.351 -1.633 -2.316 432 H ALA 61 H ALA 61 9.402 0.445 -5.546 433 HA ALA 61 HA ALA 61 8.030 -1.806 -6.549 434 HB1 ALA 61 1HB ALA 61 6.865 0.240 -6.545 435 HB2 ALA 61 2HB ALA 61 8.145 1.063 -7.437 436 HB3 ALA 61 3HB ALA 61 7.142 -0.141 -8.245 437 H THR 62 H THR 62 10.719 0.098 -7.798 438 HA THR 62 HA THR 62 10.796 -0.965 -10.395 439 HB THR 62 HB THR 62 13.151 0.004 -8.764 440 HG1 THR 62 1HG THR 62 11.039 1.357 -9.405 441 HG21 THR 62 1HG2 THR 62 13.578 -1.260 -10.930 442 HG22 THR 62 2HG2 THR 62 14.269 0.358 -10.816 443 HG23 THR 62 3HG2 THR 62 12.799 0.091 -11.752 444 H ALA 63 H ALA 63 12.491 -1.961 -7.434 445 HA ALA 63 HA ALA 63 13.810 -4.167 -8.684 446 HB1 ALA 63 1HB ALA 63 13.630 -3.035 -5.973 447 HB2 ALA 63 2HB ALA 63 13.934 -4.770 -6.055 448 HB3 ALA 63 3HB ALA 63 15.026 -3.645 -6.862 449 H LEU 64 H LEU 64 10.993 -3.861 -6.540 450 HA LEU 64 HA LEU 64 10.419 -6.693 -6.747 451 HB2 LEU 64 1HB LEU 64 8.634 -4.611 -5.527 452 HB3 LEU 64 2HB LEU 64 8.719 -6.333 -5.163 453 HG LEU 64 HG LEU 64 11.097 -4.627 -4.592 454 HD11 LEU 64 1HD1 LEU 64 10.248 -3.920 -2.488 455 HD12 LEU 64 2HD1 LEU 64 8.761 -4.842 -2.706 456 HD13 LEU 64 3HD1 LEU 64 9.078 -3.429 -3.713 457 HD21 LEU 64 1HD2 LEU 64 10.007 -7.247 -3.827 458 HD22 LEU 64 2HD2 LEU 64 10.736 -6.325 -2.512 459 HD23 LEU 64 3HD2 LEU 64 11.680 -6.703 -3.954 460 H LYS 65 H LYS 65 10.192 -4.516 -8.979 461 HA LYS 65 HA LYS 65 7.598 -4.163 -9.809 462 HB2 LYS 65 1HB LYS 65 9.207 -3.076 -11.100 463 HB3 LYS 65 2HB LYS 65 10.168 -4.535 -11.307 464 HG2 LYS 65 1HG LYS 65 8.553 -5.436 -12.849 465 HG3 LYS 65 2HG LYS 65 7.475 -4.067 -12.569 466 HD2 LYS 65 1HD LYS 65 8.511 -3.447 -14.535 467 HD3 LYS 65 2HD LYS 65 9.532 -2.654 -13.333 468 HE2 LYS 65 1HE LYS 65 11.282 -4.078 -13.681 469 HE3 LYS 65 2HE LYS 65 10.239 -5.422 -14.142 470 HZ1 LYS 65 1HZ LYS 65 11.665 -4.241 -15.925 471 HZ2 LYS 65 2HZ LYS 65 10.446 -3.069 -15.896 472 HZ3 LYS 65 3HZ LYS 65 10.070 -4.670 -16.293 473 H ASP 66 H ASP 66 9.715 -6.901 -10.663 474 HA ASP 66 HA ASP 66 7.397 -8.367 -11.666 475 HB2 ASP 66 1HB ASP 66 10.365 -8.703 -11.905 476 HB3 ASP 66 2HB ASP 66 9.311 -10.087 -12.181 477 H VAL 67 H VAL 67 9.308 -8.106 -8.863 478 HA VAL 67 HA VAL 67 8.860 -10.804 -7.927 479 HB VAL 67 HB VAL 67 9.716 -8.602 -6.099 480 HG11 VAL 67 1HG1 VAL 67 9.534 -10.730 -5.086 481 HG12 VAL 67 2HG1 VAL 67 10.366 -11.521 -6.426 482 HG13 VAL 67 3HG1 VAL 67 11.257 -10.455 -5.338 483 HG21 VAL 67 1HG2 VAL 67 11.400 -9.795 -8.294 484 HG22 VAL 67 2HG2 VAL 67 11.013 -8.093 -8.041 485 HG23 VAL 67 3HG2 VAL 67 12.062 -8.938 -6.903 486 H VAL 68 H VAL 68 7.997 -7.623 -6.555 487 HA VAL 68 HA VAL 68 5.423 -8.785 -5.716 488 HB VAL 68 HB VAL 68 7.118 -6.877 -4.098 489 HG11 VAL 68 1HG1 VAL 68 4.302 -7.589 -3.998 490 HG12 VAL 68 2HG1 VAL 68 5.135 -7.897 -2.473 491 HG13 VAL 68 3HG1 VAL 68 5.169 -6.284 -3.188 492 HG21 VAL 68 1HG2 VAL 68 6.533 -9.813 -3.804 493 HG22 VAL 68 2HG2 VAL 68 8.104 -9.024 -3.943 494 HG23 VAL 68 3HG2 VAL 68 7.141 -8.819 -2.480 495 H LYS 69 H LYS 69 3.770 -7.742 -6.588 496 HA LYS 69 HA LYS 69 3.993 -5.392 -8.093 497 HB2 LYS 69 1HB LYS 69 1.617 -6.803 -6.888 498 HB3 LYS 69 2HB LYS 69 1.446 -5.358 -7.877 499 HG2 LYS 69 1HG LYS 69 3.022 -7.624 -8.972 500 HG3 LYS 69 2HG LYS 69 1.264 -7.776 -8.906 501 HD2 LYS 69 1HD LYS 69 0.959 -5.867 -10.278 502 HD3 LYS 69 2HD LYS 69 2.652 -5.395 -10.119 503 HE2 LYS 69 1HE LYS 69 2.311 -6.368 -12.292 504 HE3 LYS 69 2HE LYS 69 3.292 -7.464 -11.321 505 HZ1 LYS 69 1HZ LYS 69 1.490 -8.906 -11.015 506 HZ2 LYS 69 2HZ LYS 69 1.425 -8.488 -12.652 507 HZ3 LYS 69 3HZ LYS 69 0.358 -7.769 -11.553 508 H VAL 70 H VAL 70 4.829 -3.634 -7.076 509 HA VAL 70 HA VAL 70 3.685 -2.769 -4.532 510 HB VAL 70 HB VAL 70 5.986 -1.596 -6.100 511 HG11 VAL 70 1HG1 VAL 70 6.154 -0.936 -3.378 512 HG12 VAL 70 2HG1 VAL 70 5.811 0.145 -4.731 513 HG13 VAL 70 3HG1 VAL 70 4.486 -0.623 -3.856 514 HG21 VAL 70 1HG2 VAL 70 6.967 -3.515 -5.413 515 HG22 VAL 70 2HG2 VAL 70 7.117 -2.632 -3.894 516 HG23 VAL 70 3HG2 VAL 70 5.797 -3.779 -4.120 517 H GLY 71 H GLY 71 1.775 -1.762 -4.828 518 HA2 GLY 71 1HA GLY 71 1.506 0.161 -7.027 519 HA3 GLY 71 2HA GLY 71 0.190 -0.496 -6.065 520 H ALA 72 H ALA 72 -0.428 1.822 -6.024 521 HA ALA 72 HA ALA 72 0.434 2.991 -3.538 522 HB1 ALA 72 1HB ALA 72 2.160 3.884 -4.961 523 HB2 ALA 72 2HB ALA 72 0.960 4.444 -6.127 524 HB3 ALA 72 3HB ALA 72 1.043 5.177 -4.525 525 H VAL 73 H VAL 73 -1.330 3.744 -2.579 526 HA VAL 73 HA VAL 73 -3.555 4.690 -4.268 527 HB VAL 73 HB VAL 73 -3.558 2.993 -1.807 528 HG11 VAL 73 1HG1 VAL 73 -6.125 3.568 -1.839 529 HG12 VAL 73 2HG1 VAL 73 -4.984 4.556 -0.924 530 HG13 VAL 73 3HG1 VAL 73 -5.549 5.095 -2.507 531 HG21 VAL 73 1HG2 VAL 73 -5.453 1.933 -3.134 532 HG22 VAL 73 2HG2 VAL 73 -4.952 2.968 -4.471 533 HG23 VAL 73 3HG2 VAL 73 -3.830 1.781 -3.806 534 H ASN 74 H ASN 74 -4.072 6.756 -4.021 535 HA ASN 74 HA ASN 74 -2.815 8.390 -2.053 536 HB2 ASN 74 1HB ASN 74 -3.303 9.319 -4.231 537 HB3 ASN 74 2HB ASN 74 -5.021 8.981 -4.035 538 HD21 ASN 74 1HD2 ASN 74 -4.907 11.362 -4.638 539 HD22 ASN 74 2HD2 ASN 74 -4.877 12.478 -3.319 540 H ALA 75 H ALA 75 -3.461 7.588 -0.040 541 HA ALA 75 HA ALA 75 -5.905 6.920 0.917 542 HB1 ALA 75 1HB ALA 75 -4.883 8.458 2.984 543 HB2 ALA 75 2HB ALA 75 -4.583 6.744 2.699 544 HB3 ALA 75 3HB ALA 75 -3.460 7.951 2.074 545 H ASP 76 H ASP 76 -4.701 10.204 0.416 546 HA ASP 76 HA ASP 76 -6.826 11.588 1.613 547 HB2 ASP 76 1HB ASP 76 -4.708 12.668 0.999 548 HB3 ASP 76 2HB ASP 76 -5.079 12.439 -0.708 549 H LYS 77 H LYS 77 -6.351 10.506 -1.730 550 HA LYS 77 HA LYS 77 -8.922 11.525 -2.561 551 HB2 LYS 77 1HB LYS 77 -7.200 11.580 -4.208 552 HB3 LYS 77 2HB LYS 77 -6.798 9.888 -3.942 553 HG2 LYS 77 1HG LYS 77 -9.257 9.483 -4.718 554 HG3 LYS 77 2HG LYS 77 -9.079 11.083 -5.441 555 HD2 LYS 77 1HD LYS 77 -7.117 8.844 -5.894 556 HD3 LYS 77 2HD LYS 77 -8.511 9.130 -6.938 557 HE2 LYS 77 1HE LYS 77 -7.649 11.083 -7.780 558 HE3 LYS 77 2HE LYS 77 -6.682 11.403 -6.341 559 HZ1 LYS 77 1HZ LYS 77 -6.012 9.906 -8.716 560 HZ2 LYS 77 2HZ LYS 77 -5.576 9.139 -7.273 561 HZ3 LYS 77 3HZ LYS 77 -5.001 10.694 -7.611 562 H HIS 78 H HIS 78 -7.476 8.262 -2.470 563 HA HIS 78 HA HIS 78 -10.092 7.040 -2.636 564 HB2 HIS 78 1HB HIS 78 -7.409 5.716 -2.200 565 HB3 HIS 78 2HB HIS 78 -8.903 4.929 -2.700 566 HD1 HIS 78 1HD HIS 78 -9.781 6.811 -4.952 567 HD2 HIS 78 2HD HIS 78 -5.880 5.478 -4.434 568 HE1 HIS 78 1HE HIS 78 -8.697 7.009 -7.213 569 HE2 HIS 78 2HE HIS 78 -6.364 6.116 -6.894 570 H GLN 79 H GLN 79 -9.786 8.652 -0.352 571 HA GLN 79 HA GLN 79 -8.981 7.574 2.003 572 HB2 GLN 79 1HB GLN 79 -11.283 9.303 1.250 573 HB3 GLN 79 2HB GLN 79 -11.267 8.633 2.876 574 HG2 GLN 79 1HG GLN 79 -8.945 9.581 3.114 575 HG3 GLN 79 2HG GLN 79 -9.237 10.442 1.604 576 HE21 GLN 79 1HE2 GLN 79 -8.693 12.097 3.457 577 HE22 GLN 79 2HE2 GLN 79 -10.081 12.847 4.162 578 H SER 80 H SER 80 -11.741 6.594 0.089 579 HA SER 80 HA SER 80 -13.066 5.028 2.006 580 HB2 SER 80 1HB SER 80 -13.737 5.761 -0.445 581 HB3 SER 80 2HB SER 80 -13.052 4.191 -0.865 582 HG SER 80 HG SER 80 -14.621 3.875 1.256 583 H LEU 81 H LEU 81 -10.588 4.166 -0.385 584 HA LEU 81 HA LEU 81 -10.474 1.427 0.149 585 HB2 LEU 81 1HB LEU 81 -8.404 3.365 -0.848 586 HB3 LEU 81 2HB LEU 81 -8.093 1.636 -0.707 587 HG LEU 81 HG LEU 81 -10.217 2.890 -2.445 588 HD11 LEU 81 1HD1 LEU 81 -8.399 1.579 -4.049 589 HD12 LEU 81 2HD1 LEU 81 -7.386 2.394 -2.858 590 HD13 LEU 81 3HD1 LEU 81 -8.528 3.324 -3.829 591 HD21 LEU 81 1HD2 LEU 81 -9.452 0.194 -3.092 592 HD22 LEU 81 2HD2 LEU 81 -11.050 0.854 -2.745 593 HD23 LEU 81 3HD2 LEU 81 -10.021 0.295 -1.426 594 H GLY 82 H GLY 82 -8.108 3.867 1.253 595 HA2 GLY 82 1HA GLY 82 -6.713 2.336 3.048 596 HA3 GLY 82 2HA GLY 82 -6.982 4.061 3.251 597 H GLY 83 H GLY 83 -9.433 4.461 3.971 598 HA2 GLY 83 1HA GLY 83 -9.624 3.637 6.618 599 HA3 GLY 83 2HA GLY 83 -10.958 4.290 5.678 600 H GLN 84 H GLN 84 -11.132 2.240 3.740 601 HA GLN 84 HA GLN 84 -12.876 0.464 4.961 602 HB2 GLN 84 1HB GLN 84 -12.868 0.870 2.552 603 HB3 GLN 84 2HB GLN 84 -11.300 0.088 2.409 604 HG2 GLN 84 1HG GLN 84 -12.187 -2.030 2.850 605 HG3 GLN 84 2HG GLN 84 -13.688 -1.362 3.491 606 HE21 GLN 84 1HE2 GLN 84 -11.778 -1.707 0.548 607 HE22 GLN 84 2HE2 GLN 84 -13.119 -1.695 -0.540 608 H TYR 85 H TYR 85 -9.491 0.499 5.052 609 HA TYR 85 HA TYR 85 -9.384 -2.335 5.838 610 HB2 TYR 85 1HB TYR 85 -7.324 -0.454 4.722 611 HB3 TYR 85 2HB TYR 85 -6.834 -1.890 5.613 612 HD1 TYR 85 1HD TYR 85 -9.129 -0.930 2.820 613 HD2 TYR 85 2HD TYR 85 -6.437 -3.817 4.408 614 HE1 TYR 85 1HE TYR 85 -9.372 -2.272 0.774 615 HE2 TYR 85 2HE TYR 85 -6.672 -5.167 2.366 616 HH TYR 85 HH TYR 85 -8.442 -5.446 0.537 617 H GLY 86 H GLY 86 -8.502 0.939 6.820 618 HA2 GLY 86 1HA GLY 86 -8.985 1.020 9.392 619 HA3 GLY 86 2HA GLY 86 -7.600 -0.062 9.424 620 H VAL 87 H VAL 87 -6.739 1.663 6.938 621 HA VAL 87 HA VAL 87 -4.678 3.049 8.004 622 HB VAL 87 HB VAL 87 -6.343 4.077 5.702 623 HG11 VAL 87 1HG1 VAL 87 -4.092 5.164 6.963 624 HG12 VAL 87 2HG1 VAL 87 -3.503 4.445 5.463 625 HG13 VAL 87 3HG1 VAL 87 -4.795 5.645 5.420 626 HG21 VAL 87 1HG2 VAL 87 -4.477 2.803 4.409 627 HG22 VAL 87 2HG2 VAL 87 -4.327 1.878 5.903 628 HG23 VAL 87 3HG2 VAL 87 -5.864 1.915 5.039 629 H GLN 88 H GLN 88 -4.456 4.657 9.404 630 HA GLN 88 HA GLN 88 -6.601 6.661 9.609 631 HB2 GLN 88 1HB GLN 88 -6.377 6.704 12.011 632 HB3 GLN 88 2HB GLN 88 -6.696 5.052 11.498 633 HG2 GLN 88 1HG GLN 88 -4.186 4.695 11.598 634 HG3 GLN 88 2HG GLN 88 -4.111 6.237 12.448 635 HE21 GLN 88 1HE2 GLN 88 -4.739 2.908 12.688 636 HE22 GLN 88 2HE2 GLN 88 -5.206 2.873 14.351 637 H GLY 89 H GLY 89 -3.197 5.898 9.806 638 HA2 GLY 89 1HA GLY 89 -2.615 8.773 9.569 639 HA3 GLY 89 2HA GLY 89 -1.758 7.812 10.765 640 H PHE 90 H PHE 90 -1.502 9.115 7.775 641 HA PHE 90 HA PHE 90 0.052 6.938 6.609 642 HB2 PHE 90 1HB PHE 90 -0.063 9.528 5.200 643 HB3 PHE 90 2HB PHE 90 -0.322 7.898 4.587 644 HD1 PHE 90 2HD PHE 90 -2.517 7.011 6.377 645 HD2 PHE 90 1HD PHE 90 -1.885 10.703 4.356 646 HE1 PHE 90 2HE PHE 90 -4.945 7.409 6.351 647 HE2 PHE 90 1HE PHE 90 -4.312 11.107 4.327 648 HZ PHE 90 HZ PHE 90 -5.846 9.458 5.324 649 HA PRO 91 HA PRO 91 1.504 7.254 4.639 650 HB2 PRO 91 1HB PRO 91 3.845 5.882 4.537 651 HB3 PRO 91 2HB PRO 91 3.658 7.512 3.880 652 HG2 PRO 91 1HG PRO 91 4.824 6.647 6.498 653 HG3 PRO 91 2HG PRO 91 5.416 7.870 5.359 654 HD2 PRO 91 1HD PRO 91 4.042 8.513 7.601 655 HD3 PRO 91 2HD PRO 91 3.935 9.469 6.109 656 H THR 92 H THR 92 0.730 5.193 4.456 657 HA THR 92 HA THR 92 1.185 3.358 6.711 658 HB THR 92 HB THR 92 -1.444 4.174 5.501 659 HG1 THR 92 1HG THR 92 -1.510 5.117 7.388 660 HG21 THR 92 1HG2 THR 92 -0.657 1.524 6.553 661 HG22 THR 92 2HG2 THR 92 -1.930 1.959 5.413 662 HG23 THR 92 3HG2 THR 92 -2.183 2.179 7.144 663 H ILE 93 H ILE 93 2.387 1.807 5.781 664 HA ILE 93 HA ILE 93 1.744 0.876 3.093 665 HB ILE 93 HB ILE 93 3.998 0.036 4.921 666 HG12 ILE 93 1HG1 ILE 93 4.338 1.725 2.470 667 HG13 ILE 93 2HG1 ILE 93 3.830 2.484 3.975 668 HG21 ILE 93 1HG2 ILE 93 4.742 -0.470 2.321 669 HG22 ILE 93 2HG2 ILE 93 4.175 -1.664 3.487 670 HG23 ILE 93 3HG2 ILE 93 3.041 -0.935 2.351 671 HD11 ILE 93 1HD1 ILE 93 6.406 1.123 3.327 672 HD12 ILE 93 2HD1 ILE 93 6.125 2.727 4.004 673 HD13 ILE 93 3HD1 ILE 93 5.871 1.292 4.998 674 H LYS 94 H LYS 94 0.767 -1.005 2.643 675 HA LYS 94 HA LYS 94 0.330 -2.906 4.850 676 HB2 LYS 94 1HB LYS 94 -1.627 -1.832 2.838 677 HB3 LYS 94 2HB LYS 94 -1.884 -3.397 3.598 678 HG2 LYS 94 1HG LYS 94 -1.393 -0.948 5.248 679 HG3 LYS 94 2HG LYS 94 -3.001 -1.325 4.624 680 HD2 LYS 94 1HD LYS 94 -2.651 -3.640 5.671 681 HD3 LYS 94 2HD LYS 94 -1.315 -2.895 6.553 682 HE2 LYS 94 1HE LYS 94 -2.800 -1.308 7.571 683 HE3 LYS 94 2HE LYS 94 -4.144 -1.852 6.568 684 HZ1 LYS 94 1HZ LYS 94 -3.882 -2.702 8.999 685 HZ2 LYS 94 2HZ LYS 94 -2.790 -3.793 8.305 686 HZ3 LYS 94 3HZ LYS 94 -4.399 -3.758 7.781 687 H ILE 95 H ILE 95 0.709 -5.006 4.412 688 HA ILE 95 HA ILE 95 1.646 -5.653 1.709 689 HB ILE 95 HB ILE 95 2.039 -7.133 4.313 690 HG12 ILE 95 1HG1 ILE 95 4.259 -5.960 2.698 691 HG13 ILE 95 2HG1 ILE 95 3.273 -4.872 3.668 692 HG21 ILE 95 1HG2 ILE 95 2.644 -7.831 1.492 693 HG22 ILE 95 2HG2 ILE 95 3.826 -8.269 2.724 694 HG23 ILE 95 3HG2 ILE 95 2.170 -8.866 2.838 695 HD11 ILE 95 1HD1 ILE 95 4.408 -5.420 5.480 696 HD12 ILE 95 2HD1 ILE 95 4.020 -7.125 5.249 697 HD13 ILE 95 3HD1 ILE 95 5.453 -6.435 4.488 698 H PHE 96 H PHE 96 0.641 -7.095 0.436 699 HA PHE 96 HA PHE 96 -1.700 -8.490 1.555 700 HB2 PHE 96 1HB PHE 96 -1.205 -7.295 -1.163 701 HB3 PHE 96 2HB PHE 96 -2.449 -8.515 -0.911 702 HD1 PHE 96 1HD PHE 96 -1.299 -5.249 0.463 703 HD2 PHE 96 2HD PHE 96 -4.577 -7.841 -0.347 704 HE1 PHE 96 1HE PHE 96 -2.862 -3.496 1.196 705 HE2 PHE 96 2HE PHE 96 -6.145 -6.092 0.384 706 HZ PHE 96 HZ PHE 96 -5.288 -3.915 1.156 707 H GLY 97 H GLY 97 -1.718 -10.647 1.505 708 HA2 GLY 97 1HA GLY 97 -0.416 -12.156 -0.559 709 HA3 GLY 97 2HA GLY 97 0.452 -12.226 0.968 710 H ALA 98 H ALA 98 -0.431 -13.340 2.707 711 HA ALA 98 HA ALA 98 -1.760 -15.668 2.281 712 HB1 ALA 98 1HB ALA 98 -2.284 -14.155 4.811 713 HB2 ALA 98 2HB ALA 98 -2.003 -15.881 4.580 714 HB3 ALA 98 3HB ALA 98 -0.665 -14.743 4.429 715 H ASN 99 H ASN 99 -3.368 -12.766 3.606 716 HA ASN 99 HA ASN 99 -5.860 -13.700 2.341 717 HB2 ASN 99 1HB ASN 99 -5.869 -13.886 4.834 718 HB3 ASN 99 2HB ASN 99 -5.643 -12.142 4.924 719 HD21 ASN 99 1HD2 ASN 99 -7.651 -12.298 6.168 720 HD22 ASN 99 2HD2 ASN 99 -9.153 -12.269 5.314 721 H LYS 100 H LYS 100 -6.073 -12.448 0.585 722 HA LYS 100 HA LYS 100 -5.108 -9.838 0.281 723 HB2 LYS 100 1HB LYS 100 -7.222 -11.423 -1.157 724 HB3 LYS 100 2HB LYS 100 -6.873 -9.757 -1.603 725 HG2 LYS 100 1HG LYS 100 -4.947 -12.071 -1.650 726 HG3 LYS 100 2HG LYS 100 -5.666 -11.260 -3.044 727 HD2 LYS 100 1HD LYS 100 -4.572 -9.132 -2.145 728 HD3 LYS 100 2HD LYS 100 -3.633 -10.200 -1.099 729 HE2 LYS 100 1HE LYS 100 -3.766 -10.547 -4.084 730 HE3 LYS 100 2HE LYS 100 -2.561 -9.529 -3.299 731 HZ1 LYS 100 1HZ LYS 100 -1.397 -11.297 -2.639 732 HZ2 LYS 100 2HZ LYS 100 -2.284 -12.168 -3.785 733 HZ3 LYS 100 3HZ LYS 100 -2.769 -12.166 -2.165 734 H ASN 101 H ASN 101 -7.872 -11.019 1.919 735 HA ASN 101 HA ASN 101 -9.345 -8.533 1.795 736 HB2 ASN 101 1HB ASN 101 -9.793 -11.232 2.966 737 HB3 ASN 101 2HB ASN 101 -10.642 -9.879 3.707 738 HD21 ASN 101 1HD2 ASN 101 -10.219 -11.757 0.804 739 HD22 ASN 101 2HD2 ASN 101 -11.669 -11.237 0.021 740 H LYS 102 H LYS 102 -7.052 -10.079 3.887 741 HA LYS 102 HA LYS 102 -7.138 -7.733 5.652 742 HB2 LYS 102 1HB LYS 102 -6.724 -10.538 6.684 743 HB3 LYS 102 2HB LYS 102 -6.936 -9.068 7.625 744 HG2 LYS 102 1HG LYS 102 -9.242 -8.892 6.809 745 HG3 LYS 102 2HG LYS 102 -9.024 -10.392 5.905 746 HD2 LYS 102 1HD LYS 102 -8.290 -11.298 8.277 747 HD3 LYS 102 2HD LYS 102 -9.287 -9.954 8.838 748 HE2 LYS 102 1HE LYS 102 -11.221 -10.868 8.011 749 HE3 LYS 102 2HE LYS 102 -10.384 -11.766 6.746 750 HZ1 LYS 102 1HZ LYS 102 -11.197 -12.664 9.278 751 HZ2 LYS 102 2HZ LYS 102 -9.509 -12.745 9.207 752 HZ3 LYS 102 3HZ LYS 102 -10.444 -13.542 8.043 753 HA PRO 103 HA PRO 103 -2.853 -8.266 4.170 754 HB2 PRO 103 1HB PRO 103 -2.251 -5.625 4.341 755 HB3 PRO 103 2HB PRO 103 -3.082 -6.332 2.950 756 HG2 PRO 103 1HG PRO 103 -4.223 -4.842 5.282 757 HG3 PRO 103 2HG PRO 103 -4.627 -4.705 3.561 758 HD2 PRO 103 1HD PRO 103 -6.148 -6.109 5.307 759 HD3 PRO 103 2HD PRO 103 -5.980 -6.571 3.601 760 H GLU 104 H GLU 104 -0.770 -7.412 5.167 761 HA GLU 104 HA GLU 104 -0.999 -7.643 8.077 762 HB2 GLU 104 1HB GLU 104 1.413 -7.912 6.274 763 HB3 GLU 104 2HB GLU 104 1.418 -8.148 8.016 764 HG2 GLU 104 1HG GLU 104 -0.327 -9.761 6.186 765 HG3 GLU 104 2HG GLU 104 1.331 -10.223 6.566 766 H ASP 105 H ASP 105 0.636 -6.380 9.365 767 HA ASP 105 HA ASP 105 0.503 -3.591 8.524 768 HB2 ASP 105 1HB ASP 105 1.454 -3.292 10.937 769 HB3 ASP 105 2HB ASP 105 -0.231 -3.757 10.721 770 H TYR 106 H TYR 106 2.130 -3.024 7.211 771 HA TYR 106 HA TYR 106 4.663 -4.168 7.088 772 HB2 TYR 106 1HB TYR 106 3.663 -2.711 5.337 773 HB3 TYR 106 2HB TYR 106 3.935 -1.319 6.379 774 HD1 TYR 106 1HD TYR 106 6.236 -0.554 6.850 775 HD2 TYR 106 2HD TYR 106 5.455 -3.703 4.096 776 HE1 TYR 106 1HE TYR 106 8.501 -0.299 5.925 777 HE2 TYR 106 2HE TYR 106 7.718 -3.456 3.164 778 HH TYR 106 HH TYR 106 10.158 -2.023 4.612 779 H GLN 107 H GLN 107 5.844 -4.373 8.910 780 HA GLN 107 HA GLN 107 6.371 -1.940 10.482 781 HB2 GLN 107 1HB GLN 107 6.434 -4.854 11.255 782 HB3 GLN 107 2HB GLN 107 7.119 -3.587 12.264 783 HG2 GLN 107 1HG GLN 107 4.992 -2.575 12.579 784 HG3 GLN 107 2HG GLN 107 4.254 -3.613 11.360 785 HE21 GLN 107 1HE2 GLN 107 3.340 -3.311 14.011 786 HE22 GLN 107 2HE2 GLN 107 3.491 -4.838 14.804 787 H GLY 108 H GLY 108 7.746 -2.303 8.091 788 HA2 GLY 108 1HA GLY 108 10.453 -2.978 9.068 789 HA3 GLY 108 2HA GLY 108 9.925 -3.313 7.426 790 H GLY 109 H GLY 109 12.134 -1.990 7.413 791 HA2 GLY 109 1HA GLY 109 12.120 0.777 7.805 792 HA3 GLY 109 2HA GLY 109 13.167 -0.077 6.681 793 H ARG 110 H ARG 110 11.422 2.489 6.669 794 HA ARG 110 HA ARG 110 9.740 1.962 4.351 795 HB2 ARG 110 1HB ARG 110 10.164 4.393 6.085 796 HB3 ARG 110 2HB ARG 110 9.199 4.437 4.615 797 HG2 ARG 110 1HG ARG 110 7.585 2.979 5.503 798 HG3 ARG 110 2HG ARG 110 8.638 2.499 6.835 799 HD2 ARG 110 1HD ARG 110 8.554 5.016 7.465 800 HD3 ARG 110 2HD ARG 110 7.117 5.045 6.443 801 HE ARG 110 HE ARG 110 7.379 3.835 9.045 802 HH11 ARG 110 2HH1 ARG 110 5.585 3.902 6.062 803 HH12 ARG 110 1HH1 ARG 110 4.146 3.238 6.761 804 HH21 ARG 110 2HH2 ARG 110 5.490 2.961 9.977 805 HH22 ARG 110 1HH2 ARG 110 4.092 2.705 8.989 806 H THR 111 H THR 111 12.384 1.525 3.769 807 HA THR 111 HA THR 111 13.045 3.830 2.053 808 HB THR 111 HB THR 111 15.434 3.113 2.214 809 HG1 THR 111 1HG THR 111 14.251 1.197 3.859 810 HG21 THR 111 1HG2 THR 111 15.333 3.663 4.914 811 HG22 THR 111 2HG2 THR 111 13.824 4.346 4.309 812 HG23 THR 111 3HG2 THR 111 15.364 4.858 3.618 813 H GLY 112 H GLY 112 13.538 3.427 -0.061 814 HA2 GLY 112 1HA GLY 112 12.477 1.450 -1.513 815 HA3 GLY 112 2HA GLY 112 14.007 2.183 -1.971 816 H GLU 113 H GLU 113 15.546 1.179 0.212 817 HA GLU 113 HA GLU 113 16.173 -1.403 -0.839 818 HB2 GLU 113 1HB GLU 113 17.314 -0.526 1.762 819 HB3 GLU 113 2HB GLU 113 18.106 -1.272 0.382 820 HG2 GLU 113 1HG GLU 113 17.521 1.054 -0.739 821 HG3 GLU 113 2HG GLU 113 17.556 1.584 0.942 822 H ALA 114 H ALA 114 15.165 -0.325 2.410 823 HA ALA 114 HA ALA 114 14.843 -2.799 3.589 824 HB1 ALA 114 1HB ALA 114 13.055 -0.428 4.095 825 HB2 ALA 114 2HB ALA 114 13.456 -1.733 5.213 826 HB3 ALA 114 3HB ALA 114 14.696 -0.578 4.725 827 H ILE 115 H ILE 115 12.455 -0.935 1.733 828 HA ILE 115 HA ILE 115 10.263 -2.605 2.029 829 HB ILE 115 HB ILE 115 11.017 -1.035 -0.439 830 HG12 ILE 115 1HG1 ILE 115 9.034 -0.081 1.575 831 HG13 ILE 115 2HG1 ILE 115 10.743 0.058 1.970 832 HG21 ILE 115 1HG2 ILE 115 9.283 -2.665 -0.904 833 HG22 ILE 115 2HG2 ILE 115 8.353 -2.104 0.484 834 HG23 ILE 115 3HG2 ILE 115 8.601 -1.039 -0.900 835 HD11 ILE 115 1HD1 ILE 115 11.144 1.476 0.125 836 HD12 ILE 115 2HD1 ILE 115 9.557 1.139 -0.567 837 HD13 ILE 115 3HD1 ILE 115 9.689 2.076 0.921 838 H VAL 116 H VAL 116 12.935 -2.803 -0.279 839 HA VAL 116 HA VAL 116 11.945 -4.868 -1.884 840 HB VAL 116 HB VAL 116 14.775 -4.092 -1.193 841 HG11 VAL 116 1HG1 VAL 116 14.770 -6.451 -1.768 842 HG12 VAL 116 2HG1 VAL 116 13.840 -6.113 -3.229 843 HG13 VAL 116 3HG1 VAL 116 15.489 -5.506 -3.072 844 HG21 VAL 116 1HG2 VAL 116 13.487 -3.812 -3.871 845 HG22 VAL 116 2HG2 VAL 116 13.114 -2.647 -2.601 846 HG23 VAL 116 3HG2 VAL 116 14.779 -2.859 -3.141 847 H ASP 117 H ASP 117 13.852 -4.980 1.098 848 HA ASP 117 HA ASP 117 14.109 -7.819 1.120 849 HB2 ASP 117 1HB ASP 117 15.498 -5.983 2.372 850 HB3 ASP 117 2HB ASP 117 14.264 -6.166 3.615 851 H ALA 118 H ALA 118 11.796 -5.537 2.439 852 HA ALA 118 HA ALA 118 10.455 -7.340 4.163 853 HB1 ALA 118 1HB ALA 118 9.904 -4.650 3.049 854 HB2 ALA 118 2HB ALA 118 8.533 -5.568 3.675 855 HB3 ALA 118 3HB ALA 118 9.905 -5.209 4.723 856 H ALA 119 H ALA 119 9.752 -6.240 0.854 857 HA ALA 119 HA ALA 119 7.397 -7.675 0.455 858 HB1 ALA 119 1HB ALA 119 8.792 -5.926 -1.031 859 HB2 ALA 119 2HB ALA 119 9.192 -7.423 -1.873 860 HB3 ALA 119 3HB ALA 119 7.506 -6.944 -1.679 861 H LEU 120 H LEU 120 10.765 -8.632 -0.108 862 HA LEU 120 HA LEU 120 10.198 -11.149 -1.248 863 HB2 LEU 120 1HB LEU 120 12.625 -10.169 0.244 864 HB3 LEU 120 2HB LEU 120 12.546 -11.693 -0.638 865 HG LEU 120 HG LEU 120 11.971 -9.146 -2.083 866 HD11 LEU 120 1HD1 LEU 120 13.985 -8.306 -1.694 867 HD12 LEU 120 2HD1 LEU 120 14.682 -9.723 -2.478 868 HD13 LEU 120 3HD1 LEU 120 14.439 -9.713 -0.731 869 HD21 LEU 120 1HD2 LEU 120 13.169 -10.482 -3.879 870 HD22 LEU 120 2HD2 LEU 120 11.597 -11.090 -3.357 871 HD23 LEU 120 3HD2 LEU 120 13.077 -11.854 -2.774 872 H SER 121 H SER 121 11.221 -10.302 2.062 873 HA SER 121 HA SER 121 11.223 -12.729 3.271 874 HB2 SER 121 1HB SER 121 11.539 -10.333 4.264 875 HB3 SER 121 2HB SER 121 9.825 -10.462 4.658 876 HG SER 121 HG SER 121 11.457 -12.615 5.334 877 H ALA 122 H ALA 122 8.364 -10.776 2.540 878 HA ALA 122 HA ALA 122 6.517 -12.590 3.743 879 HB1 ALA 122 1HB ALA 122 6.348 -10.115 2.137 880 HB2 ALA 122 2HB ALA 122 4.949 -11.188 2.087 881 HB3 ALA 122 3HB ALA 122 5.524 -10.560 3.632 882 H LEU 123 H LEU 123 7.488 -11.930 0.387 883 HA LEU 123 HA LEU 123 5.838 -13.496 -1.062 884 HB2 LEU 123 1HB LEU 123 8.016 -12.192 -1.700 885 HB3 LEU 123 2HB LEU 123 8.766 -13.781 -1.564 886 HG LEU 123 HG LEU 123 8.191 -13.203 -3.881 887 HD11 LEU 123 1HD1 LEU 123 6.289 -15.329 -3.631 888 HD12 LEU 123 2HD1 LEU 123 7.625 -15.585 -2.509 889 HD13 LEU 123 3HD1 LEU 123 7.947 -15.378 -4.230 890 HD21 LEU 123 1HD2 LEU 123 6.131 -12.583 -4.587 891 HD22 LEU 123 2HD2 LEU 123 5.999 -12.008 -2.925 892 HD23 LEU 123 3HD2 LEU 123 5.299 -13.563 -3.379 893 H ARG 124 H ARG 124 8.898 -14.756 0.279 894 HA ARG 124 HA ARG 124 8.736 -17.377 -0.300 895 HB2 ARG 124 1HB ARG 124 9.457 -16.322 2.441 896 HB3 ARG 124 2HB ARG 124 9.951 -17.866 1.759 897 HG2 ARG 124 1HG ARG 124 11.036 -16.459 -0.100 898 HG3 ARG 124 2HG ARG 124 10.854 -15.111 1.024 899 HD2 ARG 124 1HD ARG 124 12.155 -17.686 1.849 900 HD3 ARG 124 2HD ARG 124 13.066 -16.410 1.042 901 HE ARG 124 HE ARG 124 11.591 -15.489 3.325 902 HH11 ARG 124 2HH1 ARG 124 14.556 -16.962 2.250 903 HH12 ARG 124 1HH1 ARG 124 15.470 -16.433 3.624 904 HH21 ARG 124 2HH2 ARG 124 12.782 -14.787 5.139 905 HH22 ARG 124 1HH2 ARG 124 14.460 -15.197 5.267 906 H SER 125 H SER 125 7.281 -16.003 2.656 907 HA SER 125 HA SER 125 5.974 -18.295 3.518 908 HB2 SER 125 1HB SER 125 6.238 -16.176 4.829 909 HB3 SER 125 2HB SER 125 4.959 -15.463 3.846 910 HG SER 125 HG SER 125 4.372 -16.487 5.948 911 H GLY 126 H GLY 126 4.326 -15.538 1.961 912 HA2 GLY 126 1HA GLY 126 1.920 -16.742 1.424 913 HA3 GLY 126 2HA GLY 126 2.621 -15.485 0.416 914 HA PRO 127 HA PRO 127 3.273 -19.975 -1.388 915 HB2 PRO 127 1HB PRO 127 0.884 -21.264 -1.420 916 HB3 PRO 127 2HB PRO 127 2.052 -21.438 -0.105 917 HG2 PRO 127 1HG PRO 127 -0.397 -19.724 -0.247 918 HG3 PRO 127 2HG PRO 127 0.195 -20.719 1.096 919 HD2 PRO 127 1HD PRO 127 0.561 -18.038 0.997 920 HD3 PRO 127 2HD PRO 127 1.733 -19.134 1.757 921 H SER 128 H SER 128 3.074 -20.213 -3.565 922 HA SER 128 HA SER 128 0.786 -19.515 -5.070 923 HB2 SER 128 1HB SER 128 1.688 -17.530 -6.243 924 HB3 SER 128 2HB SER 128 1.431 -17.222 -4.526 925 HG SER 128 HG SER 128 3.815 -17.463 -5.961 926 H SER 129 H SER 129 1.042 -19.919 -7.318 927 HA SER 129 HA SER 129 3.309 -21.674 -7.882 928 HB2 SER 129 1HB SER 129 0.765 -22.198 -8.303 929 HB3 SER 129 2HB SER 129 1.027 -21.277 -9.783 930 HG SER 129 HG SER 129 1.480 -23.385 -10.260 931 H GLY 130 H GLY 130 4.878 -20.008 -8.167 932 HA2 GLY 130 1HA GLY 130 6.196 -19.164 -9.995 933 HA3 GLY 130 2HA GLY 130 4.703 -18.768 -10.833 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -19.215 3.571 -7.429 2 HA2 GLY 1 1HA GLY 1 -21.305 2.804 -6.637 3 HA3 GLY 1 2HA GLY 1 -20.530 3.413 -5.183 4 H SER 2 H SER 2 -21.753 4.710 -4.006 5 HA SER 2 HA SER 2 -24.151 5.867 -5.123 6 HB2 SER 2 1HB SER 2 -24.218 4.891 -2.881 7 HB3 SER 2 2HB SER 2 -22.987 6.027 -2.331 8 HG SER 2 HG SER 2 -24.436 7.581 -2.247 9 H SER 3 H SER 3 -21.217 7.115 -3.542 10 HA SER 3 HA SER 3 -21.628 9.649 -4.979 11 HB2 SER 3 1HB SER 3 -22.226 9.697 -2.467 12 HB3 SER 3 2HB SER 3 -20.488 9.577 -2.192 13 HG SER 3 HG SER 3 -21.033 11.737 -2.251 14 H GLY 4 H GLY 4 -19.712 10.833 -5.460 15 HA2 GLY 4 1HA GLY 4 -17.158 10.614 -4.907 16 HA3 GLY 4 2HA GLY 4 -17.380 9.081 -5.737 17 H SER 5 H SER 5 -16.693 12.362 -6.093 18 HA SER 5 HA SER 5 -17.483 12.490 -8.889 19 HB2 SER 5 1HB SER 5 -16.601 14.807 -8.783 20 HB3 SER 5 2HB SER 5 -17.805 14.490 -7.534 21 HG SER 5 HG SER 5 -15.350 15.372 -7.205 22 H SER 6 H SER 6 -15.784 13.462 -10.416 23 HA SER 6 HA SER 6 -13.092 12.451 -9.896 24 HB2 SER 6 1HB SER 6 -14.674 11.698 -12.366 25 HB3 SER 6 2HB SER 6 -12.998 11.263 -12.035 26 HG SER 6 HG SER 6 -14.036 9.534 -11.307 27 H GLY 7 H GLY 7 -11.543 13.759 -10.672 28 HA2 GLY 7 1HA GLY 7 -11.797 15.324 -13.025 29 HA3 GLY 7 2HA GLY 7 -12.094 16.316 -11.606 30 H ALA 8 H ALA 8 -10.394 16.424 -9.976 31 HA ALA 8 HA ALA 8 -7.838 16.809 -11.184 32 HB1 ALA 8 1HB ALA 8 -7.523 16.895 -8.400 33 HB2 ALA 8 2HB ALA 8 -7.727 18.255 -9.504 34 HB3 ALA 8 3HB ALA 8 -9.135 17.531 -8.728 35 H VAL 9 H VAL 9 -5.824 15.864 -10.376 36 HA VAL 9 HA VAL 9 -6.168 13.084 -9.457 37 HB VAL 9 HB VAL 9 -4.200 14.090 -11.517 38 HG11 VAL 9 1HG1 VAL 9 -3.900 11.976 -9.716 39 HG12 VAL 9 2HG1 VAL 9 -4.353 11.227 -11.248 40 HG13 VAL 9 3HG1 VAL 9 -2.947 12.288 -11.166 41 HG21 VAL 9 1HG2 VAL 9 -5.464 13.092 -13.139 42 HG22 VAL 9 2HG2 VAL 9 -6.155 11.908 -12.029 43 HG23 VAL 9 3HG2 VAL 9 -6.742 13.571 -12.022 44 H SER 10 H SER 10 -3.731 15.657 -9.855 45 HA SER 10 HA SER 10 -1.808 16.072 -8.662 46 HB2 SER 10 1HB SER 10 -3.975 15.910 -6.565 47 HB3 SER 10 2HB SER 10 -2.343 16.472 -6.205 48 HG SER 10 HG SER 10 -3.119 18.328 -6.825 49 H GLY 11 H GLY 11 -1.838 13.404 -9.341 50 HA2 GLY 11 1HA GLY 11 -1.318 11.823 -6.962 51 HA3 GLY 11 2HA GLY 11 -1.250 11.262 -8.626 52 H LEU 12 H LEU 12 0.593 11.552 -6.029 53 HA LEU 12 HA LEU 12 2.906 12.906 -6.884 54 HB2 LEU 12 1HB LEU 12 2.732 10.569 -4.989 55 HB3 LEU 12 2HB LEU 12 4.054 11.729 -5.106 56 HG LEU 12 HG LEU 12 1.246 12.360 -4.196 57 HD11 LEU 12 1HD1 LEU 12 2.322 12.669 -1.989 58 HD12 LEU 12 2HD1 LEU 12 3.811 12.001 -2.656 59 HD13 LEU 12 3HD1 LEU 12 2.363 11.000 -2.557 60 HD21 LEU 12 1HD2 LEU 12 3.367 14.022 -5.140 61 HD22 LEU 12 2HD2 LEU 12 3.121 14.319 -3.419 62 HD23 LEU 12 3HD2 LEU 12 1.773 14.485 -4.545 63 H TYR 13 H TYR 13 1.758 9.638 -7.405 64 HA TYR 13 HA TYR 13 4.241 8.943 -8.796 65 HB2 TYR 13 1HB TYR 13 1.881 7.208 -8.040 66 HB3 TYR 13 2HB TYR 13 3.366 6.641 -8.794 67 HD1 TYR 13 2HD TYR 13 2.370 8.681 -5.818 68 HD2 TYR 13 1HD TYR 13 4.892 5.639 -7.394 69 HE1 TYR 13 2HE TYR 13 3.373 8.368 -3.594 70 HE2 TYR 13 1HE TYR 13 5.901 5.316 -5.175 71 HH TYR 13 HH TYR 13 4.934 5.827 -2.623 72 H SER 14 H SER 14 3.998 7.703 -10.856 73 HA SER 14 HA SER 14 1.641 8.444 -12.420 74 HB2 SER 14 1HB SER 14 4.484 9.198 -13.102 75 HB3 SER 14 2HB SER 14 3.198 9.150 -14.308 76 HG SER 14 HG SER 14 3.407 11.237 -13.456 77 H SER 15 H SER 15 2.207 7.557 -14.841 78 HA SER 15 HA SER 15 2.245 4.726 -14.527 79 HB2 SER 15 1HB SER 15 0.882 5.762 -16.262 80 HB3 SER 15 2HB SER 15 2.322 6.432 -17.028 81 HG SER 15 HG SER 15 2.641 4.586 -17.970 82 H SER 16 H SER 16 4.582 7.123 -15.580 83 HA SER 16 HA SER 16 6.483 5.539 -16.802 84 HB2 SER 16 1HB SER 16 6.472 8.085 -16.481 85 HB3 SER 16 2HB SER 16 7.225 7.773 -14.917 86 HG SER 16 HG SER 16 8.344 6.525 -17.138 87 H ASP 17 H ASP 17 6.191 6.294 -13.339 88 HA ASP 17 HA ASP 17 8.393 4.780 -12.482 89 HB2 ASP 17 1HB ASP 17 6.912 4.701 -10.285 90 HB3 ASP 17 2HB ASP 17 7.670 6.197 -10.824 91 H ASP 18 H ASP 18 8.413 2.756 -11.321 92 HA ASP 18 HA ASP 18 6.990 0.711 -12.697 93 HB2 ASP 18 1HB ASP 18 8.690 0.552 -10.199 94 HB3 ASP 18 2HB ASP 18 8.138 -0.828 -11.145 95 H VAL 19 H VAL 19 6.230 2.655 -10.031 96 HA VAL 19 HA VAL 19 4.660 0.846 -8.514 97 HB VAL 19 HB VAL 19 4.547 3.859 -8.698 98 HG11 VAL 19 1HG1 VAL 19 2.761 3.878 -7.376 99 HG12 VAL 19 2HG1 VAL 19 2.619 2.138 -7.629 100 HG13 VAL 19 3HG1 VAL 19 3.521 2.758 -6.246 101 HG21 VAL 19 1HG2 VAL 19 6.626 3.273 -7.796 102 HG22 VAL 19 2HG2 VAL 19 5.615 3.589 -6.385 103 HG23 VAL 19 3HG2 VAL 19 5.950 1.929 -6.876 104 H ILE 20 H ILE 20 2.617 0.167 -8.756 105 HA ILE 20 HA ILE 20 1.188 0.956 -11.163 106 HB ILE 20 HB ILE 20 0.665 -1.212 -9.132 107 HG12 ILE 20 1HG1 ILE 20 1.285 -1.505 -12.067 108 HG13 ILE 20 2HG1 ILE 20 2.559 -1.395 -10.857 109 HG21 ILE 20 1HG2 ILE 20 -0.929 -0.424 -11.563 110 HG22 ILE 20 2HG2 ILE 20 -1.096 -1.973 -10.737 111 HG23 ILE 20 3HG2 ILE 20 -1.475 -0.475 -9.887 112 HD11 ILE 20 1HD1 ILE 20 0.377 -3.461 -10.805 113 HD12 ILE 20 2HD1 ILE 20 1.963 -3.710 -11.536 114 HD13 ILE 20 3HD1 ILE 20 1.828 -3.402 -9.805 115 H GLU 21 H GLU 21 -0.300 2.495 -11.149 116 HA GLU 21 HA GLU 21 -1.204 3.751 -8.781 117 HB2 GLU 21 1HB GLU 21 -1.034 4.891 -10.973 118 HB3 GLU 21 2HB GLU 21 -2.372 3.916 -11.564 119 HG2 GLU 21 1HG GLU 21 -2.953 6.246 -10.846 120 HG3 GLU 21 2HG GLU 21 -3.906 4.959 -10.108 121 H LEU 22 H LEU 22 -2.309 2.470 -7.386 122 HA LEU 22 HA LEU 22 -4.432 0.736 -8.318 123 HB2 LEU 22 1HB LEU 22 -3.309 1.352 -5.597 124 HB3 LEU 22 2HB LEU 22 -4.708 0.307 -5.836 125 HG LEU 22 HG LEU 22 -1.961 -0.211 -6.971 126 HD11 LEU 22 1HD1 LEU 22 -3.079 -1.956 -4.880 127 HD12 LEU 22 2HD1 LEU 22 -2.567 -0.353 -4.352 128 HD13 LEU 22 3HD1 LEU 22 -1.420 -1.425 -5.155 129 HD21 LEU 22 1HD2 LEU 22 -2.818 -2.386 -7.534 130 HD22 LEU 22 2HD2 LEU 22 -3.866 -1.158 -8.245 131 HD23 LEU 22 3HD2 LEU 22 -4.371 -2.013 -6.786 132 H THR 23 H THR 23 -6.592 1.053 -8.092 133 HA THR 23 HA THR 23 -7.501 3.496 -6.738 134 HB THR 23 HB THR 23 -8.612 4.356 -8.525 135 HG1 THR 23 1HG THR 23 -8.783 1.808 -9.781 136 HG21 THR 23 1HG2 THR 23 -7.175 4.486 -10.292 137 HG22 THR 23 2HG2 THR 23 -6.943 2.739 -10.373 138 HG23 THR 23 3HG2 THR 23 -6.107 3.684 -9.141 139 HA PRO 24 HA PRO 24 -10.748 1.076 -5.047 140 HB2 PRO 24 1HB PRO 24 -12.857 2.784 -5.104 141 HB3 PRO 24 2HB PRO 24 -11.496 2.975 -3.993 142 HG2 PRO 24 1HG PRO 24 -12.031 4.364 -6.590 143 HG3 PRO 24 2HG PRO 24 -11.441 5.040 -5.061 144 HD2 PRO 24 1HD PRO 24 -9.794 4.472 -7.134 145 HD3 PRO 24 2HD PRO 24 -9.278 4.340 -5.440 146 H SER 25 H SER 25 -10.443 1.306 -8.161 147 HA SER 25 HA SER 25 -13.094 0.169 -8.768 148 HB2 SER 25 1HB SER 25 -11.427 2.132 -10.266 149 HB3 SER 25 2HB SER 25 -12.332 0.947 -11.207 150 HG SER 25 HG SER 25 -13.808 2.475 -10.952 151 H ASN 26 H ASN 26 -9.667 -0.164 -8.921 152 HA ASN 26 HA ASN 26 -9.999 -2.756 -10.281 153 HB2 ASN 26 1HB ASN 26 -7.462 -2.246 -10.906 154 HB3 ASN 26 2HB ASN 26 -8.794 -1.676 -11.908 155 HD21 ASN 26 1HD2 ASN 26 -6.275 -0.798 -9.717 156 HD22 ASN 26 2HD2 ASN 26 -6.403 0.913 -9.923 157 H PHE 27 H PHE 27 -8.917 -1.056 -7.557 158 HA PHE 27 HA PHE 27 -6.760 -2.280 -6.527 159 HB2 PHE 27 1HB PHE 27 -8.193 -0.612 -5.339 160 HB3 PHE 27 2HB PHE 27 -9.317 -1.911 -4.955 161 HD1 PHE 27 1HD PHE 27 -8.275 -3.964 -3.719 162 HD2 PHE 27 2HD PHE 27 -6.530 -0.084 -3.840 163 HE1 PHE 27 1HE PHE 27 -6.978 -4.489 -1.695 164 HE2 PHE 27 2HE PHE 27 -5.230 -0.602 -1.817 165 HZ PHE 27 HZ PHE 27 -5.452 -2.807 -0.742 166 H ASN 28 H ASN 28 -9.810 -3.793 -7.176 167 HA ASN 28 HA ASN 28 -9.118 -6.198 -5.692 168 HB2 ASN 28 1HB ASN 28 -11.470 -5.252 -5.798 169 HB3 ASN 28 2HB ASN 28 -11.516 -5.775 -7.479 170 HD21 ASN 28 1HD2 ASN 28 -11.261 -8.047 -7.914 171 HD22 ASN 28 2HD2 ASN 28 -11.781 -9.204 -6.741 172 H ARG 29 H ARG 29 -9.569 -5.153 -9.043 173 HA ARG 29 HA ARG 29 -8.937 -7.741 -10.123 174 HB2 ARG 29 1HB ARG 29 -9.469 -5.027 -11.276 175 HB3 ARG 29 2HB ARG 29 -8.752 -6.276 -12.287 176 HG2 ARG 29 1HG ARG 29 -11.338 -6.604 -10.784 177 HG3 ARG 29 2HG ARG 29 -11.223 -6.095 -12.470 178 HD2 ARG 29 1HD ARG 29 -9.727 -8.290 -12.614 179 HD3 ARG 29 2HD ARG 29 -10.731 -8.750 -11.240 180 HE ARG 29 HE ARG 29 -12.207 -7.758 -13.507 181 HH11 ARG 29 2HH1 ARG 29 -10.811 -10.555 -11.975 182 HH12 ARG 29 1HH1 ARG 29 -11.860 -11.678 -12.775 183 HH21 ARG 29 2HH2 ARG 29 -13.594 -9.226 -14.566 184 HH22 ARG 29 1HH2 ARG 29 -13.442 -10.922 -14.249 185 H GLU 30 H GLU 30 -7.097 -5.355 -8.737 186 HA GLU 30 HA GLU 30 -4.742 -5.974 -10.387 187 HB2 GLU 30 1HB GLU 30 -5.557 -3.606 -8.779 188 HB3 GLU 30 2HB GLU 30 -3.841 -3.975 -8.869 189 HG2 GLU 30 1HG GLU 30 -5.510 -3.786 -11.345 190 HG3 GLU 30 2HG GLU 30 -4.843 -2.346 -10.577 191 H VAL 31 H VAL 31 -5.708 -5.514 -6.990 192 HA VAL 31 HA VAL 31 -3.374 -7.054 -6.130 193 HB VAL 31 HB VAL 31 -5.399 -5.499 -4.514 194 HG11 VAL 31 1HG1 VAL 31 -4.600 -7.309 -3.172 195 HG12 VAL 31 2HG1 VAL 31 -2.933 -7.010 -3.667 196 HG13 VAL 31 3HG1 VAL 31 -3.774 -5.841 -2.649 197 HG21 VAL 31 1HG2 VAL 31 -2.540 -4.750 -4.595 198 HG22 VAL 31 2HG2 VAL 31 -3.479 -4.443 -6.057 199 HG23 VAL 31 3HG2 VAL 31 -3.979 -3.732 -4.522 200 H ILE 32 H ILE 32 -6.804 -6.928 -5.150 201 HA ILE 32 HA ILE 32 -6.955 -9.360 -3.879 202 HB ILE 32 HB ILE 32 -9.143 -8.158 -5.578 203 HG12 ILE 32 1HG1 ILE 32 -8.216 -6.540 -3.963 204 HG13 ILE 32 2HG1 ILE 32 -9.861 -7.006 -3.547 205 HG21 ILE 32 1HG2 ILE 32 -9.418 -9.888 -3.132 206 HG22 ILE 32 2HG2 ILE 32 -10.675 -9.403 -4.270 207 HG23 ILE 32 3HG2 ILE 32 -9.418 -10.533 -4.774 208 HD11 ILE 32 1HD1 ILE 32 -8.329 -6.850 -1.610 209 HD12 ILE 32 2HD1 ILE 32 -9.075 -8.437 -1.801 210 HD13 ILE 32 3HD1 ILE 32 -7.399 -8.187 -2.288 211 H GLN 33 H GLN 33 -7.034 -8.692 -7.320 212 HA GLN 33 HA GLN 33 -7.535 -11.510 -7.916 213 HB2 GLN 33 1HB GLN 33 -7.486 -9.022 -9.612 214 HB3 GLN 33 2HB GLN 33 -7.528 -10.631 -10.320 215 HG2 GLN 33 1HG GLN 33 -9.631 -9.132 -8.884 216 HG3 GLN 33 2HG GLN 33 -9.748 -10.195 -10.285 217 HE21 GLN 33 1HE2 GLN 33 -9.951 -9.940 -6.879 218 HE22 GLN 33 2HE2 GLN 33 -10.381 -11.581 -6.554 219 H SER 34 H SER 34 -5.026 -10.618 -6.717 220 HA SER 34 HA SER 34 -3.199 -11.525 -8.840 221 HB2 SER 34 1HB SER 34 -2.782 -9.161 -8.511 222 HB3 SER 34 2HB SER 34 -2.679 -9.383 -6.765 223 HG SER 34 HG SER 34 -0.867 -10.178 -8.769 224 H ASP 35 H ASP 35 -3.128 -13.635 -8.154 225 HA ASP 35 HA ASP 35 -3.056 -14.649 -5.612 226 HB2 ASP 35 1HB ASP 35 -3.194 -16.094 -7.554 227 HB3 ASP 35 2HB ASP 35 -1.565 -15.642 -8.049 228 H GLY 36 H GLY 36 -0.531 -12.974 -7.315 229 HA2 GLY 36 1HA GLY 36 1.614 -13.812 -5.616 230 HA3 GLY 36 2HA GLY 36 1.649 -12.473 -6.753 231 H LEU 37 H LEU 37 2.962 -11.639 -4.847 232 HA LEU 37 HA LEU 37 1.371 -10.692 -2.610 233 HB2 LEU 37 1HB LEU 37 3.867 -11.538 -2.657 234 HB3 LEU 37 2HB LEU 37 4.193 -9.852 -3.055 235 HG LEU 37 HG LEU 37 2.810 -9.338 -0.923 236 HD11 LEU 37 1HD1 LEU 37 3.490 -11.380 0.687 237 HD12 LEU 37 2HD1 LEU 37 3.139 -12.264 -0.798 238 HD13 LEU 37 3HD1 LEU 37 1.909 -11.224 -0.080 239 HD21 LEU 37 1HD2 LEU 37 4.858 -8.706 -0.348 240 HD22 LEU 37 2HD2 LEU 37 5.582 -9.924 -1.398 241 HD23 LEU 37 3HD2 LEU 37 5.143 -10.337 0.260 242 H TRP 38 H TRP 38 0.999 -8.529 -2.111 243 HA TRP 38 HA TRP 38 1.655 -6.559 -4.187 244 HB2 TRP 38 1HB TRP 38 -1.021 -7.458 -3.339 245 HB3 TRP 38 2HB TRP 38 -0.814 -5.710 -3.402 246 HD1 TRP 38 HD TRP 38 -0.894 -8.800 -5.653 247 HE1 TRP 38 1HE TRP 38 -1.142 -8.032 -8.097 248 HE3 TRP 38 3HE TRP 38 -0.324 -3.763 -4.984 249 HZ2 TRP 38 2HZ TRP 38 -1.100 -5.612 -9.549 250 HZ3 TRP 38 3HZ TRP 38 -0.440 -2.292 -6.952 251 HH2 TRP 38 HH TRP 38 -0.820 -3.199 -9.187 252 H LEU 39 H LEU 39 2.357 -4.661 -3.411 253 HA LEU 39 HA LEU 39 2.099 -4.197 -0.514 254 HB2 LEU 39 1HB LEU 39 4.325 -3.830 -2.429 255 HB3 LEU 39 2HB LEU 39 4.149 -2.608 -1.172 256 HG LEU 39 HG LEU 39 4.378 -5.553 -0.584 257 HD11 LEU 39 1HD1 LEU 39 6.677 -5.362 -0.334 258 HD12 LEU 39 2HD1 LEU 39 6.629 -3.599 -0.308 259 HD13 LEU 39 3HD1 LEU 39 6.361 -4.466 -1.820 260 HD21 LEU 39 1HD2 LEU 39 5.328 -4.238 1.565 261 HD22 LEU 39 2HD2 LEU 39 3.644 -4.730 1.383 262 HD23 LEU 39 3HD2 LEU 39 4.127 -3.078 0.996 263 H VAL 40 H VAL 40 0.394 -2.856 -0.309 264 HA VAL 40 HA VAL 40 0.231 -0.511 -2.072 265 HB VAL 40 HB VAL 40 -1.860 -1.611 -0.188 266 HG11 VAL 40 1HG1 VAL 40 -3.287 -0.097 -1.787 267 HG12 VAL 40 2HG1 VAL 40 -2.454 0.598 -0.396 268 HG13 VAL 40 3HG1 VAL 40 -1.755 0.747 -2.008 269 HG21 VAL 40 1HG2 VAL 40 -2.975 -2.086 -2.494 270 HG22 VAL 40 2HG2 VAL 40 -1.318 -2.044 -3.095 271 HG23 VAL 40 3HG2 VAL 40 -1.776 -3.209 -1.853 272 H GLU 41 H GLU 41 0.699 1.455 -1.330 273 HA GLU 41 HA GLU 41 0.865 1.840 1.588 274 HB2 GLU 41 1HB GLU 41 3.097 1.900 0.847 275 HB3 GLU 41 2HB GLU 41 2.681 2.792 -0.610 276 HG2 GLU 41 1HG GLU 41 2.642 4.799 0.456 277 HG3 GLU 41 2HG GLU 41 2.162 4.097 2.000 278 H PHE 42 H PHE 42 -0.703 3.133 2.259 279 HA PHE 42 HA PHE 42 -2.026 4.960 0.467 280 HB2 PHE 42 1HB PHE 42 -2.414 4.553 3.440 281 HB3 PHE 42 2HB PHE 42 -3.493 5.437 2.366 282 HD1 PHE 42 1HD PHE 42 -2.123 2.086 3.113 283 HD2 PHE 42 2HD PHE 42 -5.147 4.327 1.126 284 HE1 PHE 42 1HE PHE 42 -3.356 0.007 2.651 285 HE2 PHE 42 2HE PHE 42 -6.385 2.252 0.662 286 HZ PHE 42 HZ PHE 42 -5.491 0.088 1.426 287 H TYR 43 H TYR 43 -0.839 6.704 -0.074 288 HA TYR 43 HA TYR 43 0.478 8.216 2.075 289 HB2 TYR 43 1HB TYR 43 1.894 9.183 0.410 290 HB3 TYR 43 2HB TYR 43 1.846 7.451 0.102 291 HD1 TYR 43 1HD TYR 43 0.391 10.689 -0.999 292 HD2 TYR 43 2HD TYR 43 1.196 6.632 -1.996 293 HE1 TYR 43 1HE TYR 43 -0.301 11.128 -3.318 294 HE2 TYR 43 2HE TYR 43 0.507 7.059 -4.318 295 HH TYR 43 HH TYR 43 0.452 9.505 -5.801 296 H ALA 44 H ALA 44 0.613 10.684 1.356 297 HA ALA 44 HA ALA 44 -2.030 11.574 0.441 298 HB1 ALA 44 1HB ALA 44 -2.397 11.750 2.717 299 HB2 ALA 44 2HB ALA 44 -0.726 12.201 3.057 300 HB3 ALA 44 3HB ALA 44 -1.818 13.364 2.306 301 HA PRO 45 HA PRO 45 0.659 14.160 -1.994 302 HB2 PRO 45 1HB PRO 45 -1.326 15.458 -3.316 303 HB3 PRO 45 2HB PRO 45 -0.822 13.811 -3.716 304 HG2 PRO 45 1HG PRO 45 -3.149 14.735 -2.075 305 HG3 PRO 45 2HG PRO 45 -3.082 13.454 -3.300 306 HD2 PRO 45 1HD PRO 45 -3.011 12.934 -0.644 307 HD3 PRO 45 2HD PRO 45 -2.164 11.929 -1.836 308 H TRP 46 H TRP 46 -1.059 14.964 0.661 309 HA TRP 46 HA TRP 46 -0.475 17.839 0.366 310 HB2 TRP 46 1HB TRP 46 -2.265 18.235 2.043 311 HB3 TRP 46 2HB TRP 46 -2.866 17.494 0.562 312 HD1 TRP 46 HD TRP 46 -4.329 15.408 0.869 313 HE1 TRP 46 1HE TRP 46 -4.848 13.799 2.810 314 HE3 TRP 46 3HE TRP 46 -0.979 17.174 4.303 315 HZ2 TRP 46 2HZ TRP 46 -3.955 13.340 5.448 316 HZ3 TRP 46 3HZ TRP 46 -0.875 16.095 6.512 317 HH2 TRP 46 HH TRP 46 -2.333 14.218 7.071 318 H CYS 47 H CYS 47 0.078 14.962 2.141 319 HA CYS 47 HA CYS 47 0.968 16.203 4.566 320 HB2 CYS 47 1HB CYS 47 0.171 13.711 4.026 321 HB3 CYS 47 2HB CYS 47 1.903 13.476 3.824 322 HG CYS 47 HG CYS 47 0.823 14.998 6.653 323 H GLY 48 H GLY 48 3.327 15.225 5.260 324 HA2 GLY 48 1HA GLY 48 5.160 16.385 3.261 325 HA3 GLY 48 2HA GLY 48 5.430 16.404 4.997 326 H HIS 49 H HIS 49 5.506 14.121 5.991 327 HA HIS 49 HA HIS 49 7.734 12.788 5.050 328 HB2 HIS 49 1HB HIS 49 6.807 10.827 6.454 329 HB3 HIS 49 2HB HIS 49 7.159 12.344 7.276 330 HD1 HIS 49 1HD HIS 49 5.464 12.214 9.126 331 HD2 HIS 49 2HD HIS 49 3.786 11.625 5.372 332 HE1 HIS 49 1HE HIS 49 2.977 12.208 9.495 333 HE2 HIS 49 2HE HIS 49 1.985 11.764 7.223 334 H CYS 50 H CYS 50 4.544 12.678 3.856 335 HA CYS 50 HA CYS 50 4.771 10.070 2.635 336 HB2 CYS 50 1HB CYS 50 2.703 12.261 2.463 337 HB3 CYS 50 2HB CYS 50 2.604 10.788 1.505 338 HG CYS 50 HG CYS 50 1.151 11.153 4.203 339 H GLN 51 H GLN 51 4.655 13.436 1.486 340 HA GLN 51 HA GLN 51 5.003 12.897 -1.233 341 HB2 GLN 51 1HB GLN 51 5.842 15.315 0.373 342 HB3 GLN 51 2HB GLN 51 5.817 15.247 -1.384 343 HG2 GLN 51 1HG GLN 51 3.462 15.044 -1.437 344 HG3 GLN 51 2HG GLN 51 3.382 14.751 0.299 345 HE21 GLN 51 1HE2 GLN 51 1.760 16.533 -0.015 346 HE22 GLN 51 2HE2 GLN 51 2.338 18.153 0.146 347 H ARG 52 H ARG 52 7.258 12.879 1.389 348 HA ARG 52 HA ARG 52 9.572 12.936 -0.374 349 HB2 ARG 52 1HB ARG 52 10.855 13.284 1.496 350 HB3 ARG 52 2HB ARG 52 9.322 13.938 2.056 351 HG2 ARG 52 1HG ARG 52 8.836 11.784 3.152 352 HG3 ARG 52 2HG ARG 52 10.424 11.201 2.648 353 HD2 ARG 52 1HD ARG 52 11.516 12.905 3.956 354 HD3 ARG 52 2HD ARG 52 9.964 13.639 4.360 355 HE ARG 52 HE ARG 52 10.224 10.887 5.173 356 HH11 ARG 52 2HH1 ARG 52 10.737 14.216 6.054 357 HH12 ARG 52 1HH1 ARG 52 10.727 13.902 7.758 358 HH21 ARG 52 2HH2 ARG 52 10.210 10.461 7.414 359 HH22 ARG 52 1HH2 ARG 52 10.428 11.766 8.531 360 H LEU 53 H LEU 53 7.373 10.664 0.509 361 HA LEU 53 HA LEU 53 9.303 8.466 0.673 362 HB2 LEU 53 1HB LEU 53 7.430 8.623 2.312 363 HB3 LEU 53 2HB LEU 53 6.306 8.374 0.977 364 HG LEU 53 HG LEU 53 7.287 6.148 0.593 365 HD11 LEU 53 1HD1 LEU 53 8.629 5.830 3.098 366 HD12 LEU 53 2HD1 LEU 53 9.371 7.149 2.193 367 HD13 LEU 53 3HD1 LEU 53 9.233 5.549 1.465 368 HD21 LEU 53 1HD2 LEU 53 5.351 6.124 1.912 369 HD22 LEU 53 2HD2 LEU 53 6.183 6.818 3.304 370 HD23 LEU 53 3HD2 LEU 53 6.516 5.156 2.816 371 H THR 54 H THR 54 8.011 10.157 -1.715 372 HA THR 54 HA THR 54 6.786 8.251 -3.400 373 HB THR 54 HB THR 54 8.321 10.446 -4.673 374 HG1 THR 54 1HG THR 54 7.514 11.947 -3.432 375 HG21 THR 54 1HG2 THR 54 6.695 10.313 -6.221 376 HG22 THR 54 2HG2 THR 54 5.416 10.252 -5.009 377 HG23 THR 54 3HG2 THR 54 6.291 8.784 -5.441 378 HA PRO 55 HA PRO 55 11.185 7.843 -5.402 379 HB2 PRO 55 1HB PRO 55 13.279 8.696 -3.898 380 HB3 PRO 55 2HB PRO 55 12.427 9.742 -5.040 381 HG2 PRO 55 1HG PRO 55 12.120 9.535 -2.070 382 HG3 PRO 55 2HG PRO 55 12.179 10.984 -3.090 383 HD2 PRO 55 1HD PRO 55 9.856 9.957 -2.152 384 HD3 PRO 55 2HD PRO 55 9.970 10.785 -3.718 385 H GLU 56 H GLU 56 10.985 7.575 -1.879 386 HA GLU 56 HA GLU 56 12.745 5.356 -1.657 387 HB2 GLU 56 1HB GLU 56 10.591 6.373 0.203 388 HB3 GLU 56 2HB GLU 56 11.737 5.105 0.615 389 HG2 GLU 56 1HG GLU 56 13.563 6.593 0.550 390 HG3 GLU 56 2HG GLU 56 12.606 7.849 -0.235 391 H TRP 57 H TRP 57 9.256 5.684 -2.028 392 HA TRP 57 HA TRP 57 8.717 2.893 -1.692 393 HB2 TRP 57 1HB TRP 57 7.075 4.789 -1.301 394 HB3 TRP 57 2HB TRP 57 6.940 4.920 -3.052 395 HD1 TRP 57 HD TRP 57 4.807 3.779 -3.854 396 HE1 TRP 57 1HE TRP 57 3.484 1.664 -3.221 397 HE3 TRP 57 3HE TRP 57 7.711 2.134 0.018 398 HZ2 TRP 57 2HZ TRP 57 3.650 -0.425 -1.330 399 HZ3 TRP 57 3HZ TRP 57 7.059 0.069 1.187 400 HH2 TRP 57 HH TRP 57 5.070 -1.183 0.525 401 H LYS 58 H LYS 58 9.039 5.063 -4.474 402 HA LYS 58 HA LYS 58 8.343 3.285 -6.496 403 HB2 LYS 58 1HB LYS 58 10.129 5.688 -6.378 404 HB3 LYS 58 2HB LYS 58 10.068 4.724 -7.848 405 HG2 LYS 58 1HG LYS 58 7.644 5.077 -7.967 406 HG3 LYS 58 2HG LYS 58 7.730 6.073 -6.512 407 HD2 LYS 58 1HD LYS 58 9.438 7.479 -7.809 408 HD3 LYS 58 2HD LYS 58 8.852 6.632 -9.242 409 HE2 LYS 58 1HE LYS 58 6.522 7.355 -8.518 410 HE3 LYS 58 2HE LYS 58 7.326 8.438 -7.384 411 HZ1 LYS 58 1HZ LYS 58 7.743 8.445 -10.324 412 HZ2 LYS 58 2HZ LYS 58 8.426 9.523 -9.215 413 HZ3 LYS 58 3HZ LYS 58 6.756 9.531 -9.483 414 H LYS 59 H LYS 59 11.569 3.966 -5.154 415 HA LYS 59 HA LYS 59 13.157 2.368 -6.673 416 HB2 LYS 59 1HB LYS 59 13.198 3.056 -3.764 417 HB3 LYS 59 2HB LYS 59 14.349 1.874 -4.372 418 HG2 LYS 59 1HG LYS 59 15.059 3.576 -6.069 419 HG3 LYS 59 2HG LYS 59 14.053 4.746 -5.211 420 HD2 LYS 59 1HD LYS 59 16.075 3.152 -3.697 421 HD3 LYS 59 2HD LYS 59 16.603 4.535 -4.659 422 HE2 LYS 59 1HE LYS 59 14.759 5.834 -3.436 423 HE3 LYS 59 2HE LYS 59 14.734 4.479 -2.309 424 HZ1 LYS 59 1HZ LYS 59 16.194 6.337 -1.622 425 HZ2 LYS 59 2HZ LYS 59 17.170 6.041 -2.971 426 HZ3 LYS 59 3HZ LYS 59 17.011 4.863 -1.767 427 H ALA 60 H ALA 60 11.433 1.274 -3.748 428 HA ALA 60 HA ALA 60 12.129 -1.427 -3.941 429 HB1 ALA 60 1HB ALA 60 10.741 0.083 -2.149 430 HB2 ALA 60 2HB ALA 60 9.463 -0.917 -2.842 431 HB3 ALA 60 3HB ALA 60 10.873 -1.676 -2.102 432 H ALA 61 H ALA 61 9.578 0.415 -5.485 433 HA ALA 61 HA ALA 61 8.054 -1.779 -6.423 434 HB1 ALA 61 1HB ALA 61 6.760 0.041 -6.657 435 HB2 ALA 61 2HB ALA 61 8.138 1.119 -6.885 436 HB3 ALA 61 3HB ALA 61 7.531 0.166 -8.239 437 H THR 62 H THR 62 10.765 0.030 -7.775 438 HA THR 62 HA THR 62 10.704 -1.090 -10.360 439 HB THR 62 HB THR 62 13.071 -0.002 -8.822 440 HG1 THR 62 1HG THR 62 11.936 1.470 -10.866 441 HG21 THR 62 1HG2 THR 62 12.703 -0.826 -11.681 442 HG22 THR 62 2HG2 THR 62 14.040 -1.175 -10.584 443 HG23 THR 62 3HG2 THR 62 13.848 0.445 -11.254 444 H ALA 63 H ALA 63 12.282 -2.106 -7.370 445 HA ALA 63 HA ALA 63 13.664 -4.300 -8.617 446 HB1 ALA 63 1HB ALA 63 13.834 -4.895 -6.012 447 HB2 ALA 63 2HB ALA 63 14.871 -3.705 -6.798 448 HB3 ALA 63 3HB ALA 63 13.454 -3.177 -5.892 449 H LEU 64 H LEU 64 10.879 -3.981 -6.426 450 HA LEU 64 HA LEU 64 10.283 -6.806 -6.634 451 HB2 LEU 64 1HB LEU 64 8.500 -4.736 -5.401 452 HB3 LEU 64 2HB LEU 64 8.631 -6.450 -5.013 453 HG LEU 64 HG LEU 64 10.917 -4.582 -4.489 454 HD11 LEU 64 1HD1 LEU 64 9.139 -3.487 -3.371 455 HD12 LEU 64 2HD1 LEU 64 10.006 -4.417 -2.150 456 HD13 LEU 64 3HD1 LEU 64 8.473 -5.012 -2.787 457 HD21 LEU 64 1HD2 LEU 64 10.139 -7.340 -3.803 458 HD22 LEU 64 2HD2 LEU 64 10.874 -6.403 -2.503 459 HD23 LEU 64 3HD2 LEU 64 11.738 -6.630 -4.024 460 H LYS 65 H LYS 65 9.966 -4.488 -8.788 461 HA LYS 65 HA LYS 65 7.341 -4.256 -9.575 462 HB2 LYS 65 1HB LYS 65 8.794 -2.972 -10.834 463 HB3 LYS 65 2HB LYS 65 9.934 -4.292 -11.059 464 HG2 LYS 65 1HG LYS 65 8.267 -5.368 -12.575 465 HG3 LYS 65 2HG LYS 65 7.298 -3.898 -12.453 466 HD2 LYS 65 1HD LYS 65 8.492 -3.431 -14.350 467 HD3 LYS 65 2HD LYS 65 9.576 -2.752 -13.133 468 HE2 LYS 65 1HE LYS 65 11.118 -4.422 -13.377 469 HE3 LYS 65 2HE LYS 65 9.912 -5.613 -13.860 470 HZ1 LYS 65 1HZ LYS 65 9.846 -3.796 -15.873 471 HZ2 LYS 65 2HZ LYS 65 10.672 -5.271 -15.910 472 HZ3 LYS 65 3HZ LYS 65 11.492 -3.854 -15.484 473 H ASP 66 H ASP 66 9.617 -6.857 -10.389 474 HA ASP 66 HA ASP 66 7.463 -8.366 -11.659 475 HB2 ASP 66 1HB ASP 66 10.451 -8.636 -11.581 476 HB3 ASP 66 2HB ASP 66 9.452 -10.011 -12.044 477 H VAL 67 H VAL 67 9.198 -8.191 -8.703 478 HA VAL 67 HA VAL 67 8.585 -10.904 -7.891 479 HB VAL 67 HB VAL 67 9.551 -8.778 -6.012 480 HG11 VAL 67 1HG1 VAL 67 10.802 -10.727 -5.080 481 HG12 VAL 67 2HG1 VAL 67 9.047 -10.895 -5.016 482 HG13 VAL 67 3HG1 VAL 67 9.972 -11.752 -6.250 483 HG21 VAL 67 1HG2 VAL 67 11.321 -8.372 -7.305 484 HG22 VAL 67 2HG2 VAL 67 11.833 -10.026 -6.971 485 HG23 VAL 67 3HG2 VAL 67 10.894 -9.670 -8.420 486 H VAL 68 H VAL 68 7.938 -7.780 -6.299 487 HA VAL 68 HA VAL 68 5.278 -8.820 -5.562 488 HB VAL 68 HB VAL 68 6.987 -6.903 -3.970 489 HG11 VAL 68 1HG1 VAL 68 4.946 -6.292 -3.225 490 HG12 VAL 68 2HG1 VAL 68 4.179 -7.783 -3.775 491 HG13 VAL 68 3HG1 VAL 68 5.090 -7.763 -2.264 492 HG21 VAL 68 1HG2 VAL 68 6.976 -8.841 -2.322 493 HG22 VAL 68 2HG2 VAL 68 6.436 -9.843 -3.669 494 HG23 VAL 68 3HG2 VAL 68 7.994 -9.020 -3.751 495 H LYS 69 H LYS 69 3.654 -7.752 -6.456 496 HA LYS 69 HA LYS 69 3.958 -5.422 -7.994 497 HB2 LYS 69 1HB LYS 69 1.537 -6.800 -6.846 498 HB3 LYS 69 2HB LYS 69 1.404 -5.350 -7.833 499 HG2 LYS 69 1HG LYS 69 2.986 -7.617 -8.909 500 HG3 LYS 69 2HG LYS 69 1.228 -7.774 -8.867 501 HD2 LYS 69 1HD LYS 69 0.945 -5.834 -10.219 502 HD3 LYS 69 2HD LYS 69 2.650 -5.404 -10.068 503 HE2 LYS 69 1HE LYS 69 2.173 -6.387 -12.252 504 HE3 LYS 69 2HE LYS 69 3.272 -7.403 -11.320 505 HZ1 LYS 69 1HZ LYS 69 1.657 -8.800 -12.324 506 HZ2 LYS 69 2HZ LYS 69 0.375 -7.843 -11.776 507 HZ3 LYS 69 3HZ LYS 69 1.293 -8.738 -10.673 508 H VAL 70 H VAL 70 4.791 -3.668 -6.970 509 HA VAL 70 HA VAL 70 3.612 -2.774 -4.454 510 HB VAL 70 HB VAL 70 5.952 -1.664 -6.011 511 HG11 VAL 70 1HG1 VAL 70 4.468 -0.228 -4.314 512 HG12 VAL 70 2HG1 VAL 70 5.541 -1.014 -3.155 513 HG13 VAL 70 3HG1 VAL 70 6.214 -0.034 -4.458 514 HG21 VAL 70 1HG2 VAL 70 6.970 -2.603 -3.686 515 HG22 VAL 70 2HG2 VAL 70 5.678 -3.769 -3.974 516 HG23 VAL 70 3HG2 VAL 70 6.929 -3.521 -5.192 517 H GLY 71 H GLY 71 1.726 -1.734 -4.746 518 HA2 GLY 71 1HA GLY 71 1.458 0.139 -6.985 519 HA3 GLY 71 2HA GLY 71 0.147 -0.471 -5.988 520 H ALA 72 H ALA 72 -0.597 1.700 -5.757 521 HA ALA 72 HA ALA 72 0.331 2.955 -3.391 522 HB1 ALA 72 1HB ALA 72 2.114 3.759 -4.823 523 HB2 ALA 72 2HB ALA 72 0.936 4.394 -5.971 524 HB3 ALA 72 3HB ALA 72 1.060 5.094 -4.358 525 H VAL 73 H VAL 73 -1.512 3.585 -2.500 526 HA VAL 73 HA VAL 73 -3.647 4.620 -4.247 527 HB VAL 73 HB VAL 73 -3.734 3.017 -1.721 528 HG11 VAL 73 1HG1 VAL 73 -6.323 3.646 -1.975 529 HG12 VAL 73 2HG1 VAL 73 -5.219 4.527 -0.917 530 HG13 VAL 73 3HG1 VAL 73 -5.606 5.163 -2.516 531 HG21 VAL 73 1HG2 VAL 73 -3.920 1.778 -3.754 532 HG22 VAL 73 2HG2 VAL 73 -5.523 1.840 -3.021 533 HG23 VAL 73 3HG2 VAL 73 -5.136 2.888 -4.386 534 H ASN 74 H ASN 74 -4.120 6.704 -4.073 535 HA ASN 74 HA ASN 74 -2.855 8.383 -2.162 536 HB2 ASN 74 1HB ASN 74 -3.324 9.326 -4.297 537 HB3 ASN 74 2HB ASN 74 -5.023 8.872 -4.203 538 HD21 ASN 74 1HD2 ASN 74 -4.675 11.353 -4.851 539 HD22 ASN 74 2HD2 ASN 74 -4.941 12.436 -3.531 540 H ALA 75 H ALA 75 -3.503 7.550 -0.134 541 HA ALA 75 HA ALA 75 -5.945 6.972 0.865 542 HB1 ALA 75 1HB ALA 75 -4.534 8.719 2.709 543 HB2 ALA 75 2HB ALA 75 -4.913 7.001 2.841 544 HB3 ALA 75 3HB ALA 75 -3.476 7.522 1.961 545 H ASP 76 H ASP 76 -4.643 10.236 0.407 546 HA ASP 76 HA ASP 76 -6.753 11.658 1.577 547 HB2 ASP 76 1HB ASP 76 -4.595 12.685 1.000 548 HB3 ASP 76 2HB ASP 76 -4.960 12.495 -0.713 549 H LYS 77 H LYS 77 -6.303 10.458 -1.713 550 HA LYS 77 HA LYS 77 -8.812 11.604 -2.602 551 HB2 LYS 77 1HB LYS 77 -7.130 11.610 -4.258 552 HB3 LYS 77 2HB LYS 77 -6.682 9.941 -3.928 553 HG2 LYS 77 1HG LYS 77 -9.032 9.344 -4.745 554 HG3 LYS 77 2HG LYS 77 -9.075 10.983 -5.398 555 HD2 LYS 77 1HD LYS 77 -6.797 9.121 -5.994 556 HD3 LYS 77 2HD LYS 77 -8.287 9.083 -6.940 557 HE2 LYS 77 1HE LYS 77 -7.128 10.586 -8.189 558 HE3 LYS 77 2HE LYS 77 -7.833 11.703 -7.022 559 HZ1 LYS 77 1HZ LYS 77 -5.260 11.665 -7.561 560 HZ2 LYS 77 2HZ LYS 77 -5.264 10.502 -6.333 561 HZ3 LYS 77 3HZ LYS 77 -5.848 12.059 -6.024 562 H HIS 78 H HIS 78 -7.482 8.291 -2.517 563 HA HIS 78 HA HIS 78 -10.132 7.158 -2.696 564 HB2 HIS 78 1HB HIS 78 -7.489 5.762 -2.229 565 HB3 HIS 78 2HB HIS 78 -9.003 5.004 -2.714 566 HD1 HIS 78 1HD HIS 78 -9.846 6.851 -4.998 567 HD2 HIS 78 2HD HIS 78 -5.965 5.471 -4.457 568 HE1 HIS 78 1HE HIS 78 -8.761 6.991 -7.263 569 HE2 HIS 78 2HE HIS 78 -6.440 6.072 -6.928 570 H GLN 79 H GLN 79 -9.744 8.779 -0.404 571 HA GLN 79 HA GLN 79 -9.025 7.736 1.965 572 HB2 GLN 79 1HB GLN 79 -11.461 9.318 1.217 573 HB3 GLN 79 2HB GLN 79 -11.215 8.806 2.881 574 HG2 GLN 79 1HG GLN 79 -9.207 10.051 3.060 575 HG3 GLN 79 2HG GLN 79 -9.172 10.364 1.325 576 HE21 GLN 79 1HE2 GLN 79 -8.911 12.586 2.278 577 HE22 GLN 79 2HE2 GLN 79 -10.356 13.493 2.551 578 H SER 80 H SER 80 -11.829 6.755 0.083 579 HA SER 80 HA SER 80 -13.132 5.179 1.976 580 HB2 SER 80 1HB SER 80 -13.001 5.124 -1.022 581 HB3 SER 80 2HB SER 80 -13.857 3.848 -0.155 582 HG SER 80 HG SER 80 -14.815 5.874 0.963 583 H LEU 81 H LEU 81 -10.708 4.203 -0.444 584 HA LEU 81 HA LEU 81 -10.542 1.513 0.220 585 HB2 LEU 81 1HB LEU 81 -8.446 3.404 -0.822 586 HB3 LEU 81 2HB LEU 81 -8.198 1.665 -0.684 587 HG LEU 81 HG LEU 81 -10.262 3.018 -2.421 588 HD11 LEU 81 1HD1 LEU 81 -8.465 3.366 -3.720 589 HD12 LEU 81 2HD1 LEU 81 -8.623 1.648 -4.082 590 HD13 LEU 81 3HD1 LEU 81 -7.479 2.188 -2.854 591 HD21 LEU 81 1HD2 LEU 81 -11.292 1.041 -2.318 592 HD22 LEU 81 2HD2 LEU 81 -9.926 0.277 -1.505 593 HD23 LEU 81 3HD2 LEU 81 -9.941 0.415 -3.264 594 H GLY 82 H GLY 82 -8.253 4.052 1.263 595 HA2 GLY 82 1HA GLY 82 -6.801 2.596 3.087 596 HA3 GLY 82 2HA GLY 82 -7.116 4.318 3.245 597 H GLY 83 H GLY 83 -9.537 4.707 3.994 598 HA2 GLY 83 1HA GLY 83 -9.699 3.854 6.648 599 HA3 GLY 83 2HA GLY 83 -11.017 4.580 5.742 600 H GLN 84 H GLN 84 -10.886 2.361 3.741 601 HA GLN 84 HA GLN 84 -12.822 0.679 4.956 602 HB2 GLN 84 1HB GLN 84 -12.912 1.111 2.580 603 HB3 GLN 84 2HB GLN 84 -11.311 0.421 2.353 604 HG2 GLN 84 1HG GLN 84 -12.120 -1.770 2.922 605 HG3 GLN 84 2HG GLN 84 -13.708 -1.118 3.319 606 HE21 GLN 84 1HE2 GLN 84 -11.384 -1.281 0.650 607 HE22 GLN 84 2HE2 GLN 84 -12.566 -1.443 -0.599 608 H TYR 85 H TYR 85 -9.487 0.705 5.166 609 HA TYR 85 HA TYR 85 -9.397 -2.168 5.810 610 HB2 TYR 85 1HB TYR 85 -7.334 -0.298 4.692 611 HB3 TYR 85 2HB TYR 85 -6.835 -1.736 5.576 612 HD1 TYR 85 1HD TYR 85 -9.191 -0.789 2.828 613 HD2 TYR 85 2HD TYR 85 -6.427 -3.644 4.349 614 HE1 TYR 85 1HE TYR 85 -9.462 -2.131 0.785 615 HE2 TYR 85 2HE TYR 85 -6.689 -4.993 2.310 616 HH TYR 85 HH TYR 85 -9.078 -4.183 -0.135 617 H GLY 86 H GLY 86 -8.525 1.072 6.874 618 HA2 GLY 86 1HA GLY 86 -8.933 1.222 9.399 619 HA3 GLY 86 2HA GLY 86 -7.709 -0.036 9.480 620 H VAL 87 H VAL 87 -7.432 2.443 7.078 621 HA VAL 87 HA VAL 87 -4.914 3.293 8.177 622 HB VAL 87 HB VAL 87 -6.460 4.304 5.787 623 HG11 VAL 87 1HG1 VAL 87 -4.899 5.974 6.805 624 HG12 VAL 87 2HG1 VAL 87 -3.580 4.847 6.481 625 HG13 VAL 87 3HG1 VAL 87 -4.512 5.522 5.145 626 HG21 VAL 87 1HG2 VAL 87 -4.883 1.971 6.212 627 HG22 VAL 87 2HG2 VAL 87 -5.682 2.509 4.735 628 HG23 VAL 87 3HG2 VAL 87 -4.033 3.029 5.086 629 H GLN 88 H GLN 88 -4.663 4.825 9.652 630 HA GLN 88 HA GLN 88 -6.747 6.892 9.904 631 HB2 GLN 88 1HB GLN 88 -5.803 7.110 12.279 632 HB3 GLN 88 2HB GLN 88 -6.777 5.691 11.917 633 HG2 GLN 88 1HG GLN 88 -3.799 5.593 11.678 634 HG3 GLN 88 2HG GLN 88 -4.586 5.416 13.245 635 HE21 GLN 88 1HE2 GLN 88 -6.429 3.790 13.227 636 HE22 GLN 88 2HE2 GLN 88 -6.124 2.302 12.404 637 H GLY 89 H GLY 89 -3.289 6.252 9.833 638 HA2 GLY 89 1HA GLY 89 -2.856 9.091 9.210 639 HA3 GLY 89 2HA GLY 89 -1.909 8.352 10.493 640 H PHE 90 H PHE 90 -1.420 9.451 7.628 641 HA PHE 90 HA PHE 90 -0.039 7.114 6.519 642 HB2 PHE 90 1HB PHE 90 -0.028 9.655 5.008 643 HB3 PHE 90 2HB PHE 90 -0.317 8.011 4.448 644 HD1 PHE 90 2HD PHE 90 -2.596 7.007 5.600 645 HD2 PHE 90 1HD PHE 90 -1.778 11.086 4.698 646 HE1 PHE 90 2HE PHE 90 -5.011 7.466 5.500 647 HE2 PHE 90 1HE PHE 90 -4.192 11.552 4.598 648 HZ PHE 90 HZ PHE 90 -5.812 9.741 4.998 649 HA PRO 91 HA PRO 91 1.434 7.348 4.513 650 HB2 PRO 91 1HB PRO 91 3.717 5.880 4.432 651 HB3 PRO 91 2HB PRO 91 3.597 7.508 3.754 652 HG2 PRO 91 1HG PRO 91 4.724 6.630 6.385 653 HG3 PRO 91 2HG PRO 91 5.367 7.813 5.231 654 HD2 PRO 91 1HD PRO 91 4.017 8.540 7.463 655 HD3 PRO 91 2HD PRO 91 3.951 9.480 5.959 656 H THR 92 H THR 92 0.609 5.298 4.338 657 HA THR 92 HA THR 92 0.928 3.516 6.661 658 HB THR 92 HB THR 92 -1.601 4.367 5.286 659 HG1 THR 92 1HG THR 92 -0.591 5.064 7.486 660 HG21 THR 92 1HG2 THR 92 -2.612 2.422 6.711 661 HG22 THR 92 2HG2 THR 92 -1.005 1.716 6.537 662 HG23 THR 92 3HG2 THR 92 -1.964 2.090 5.105 663 H ILE 93 H ILE 93 2.233 1.989 5.798 664 HA ILE 93 HA ILE 93 1.687 0.938 3.136 665 HB ILE 93 HB ILE 93 3.886 0.237 5.085 666 HG12 ILE 93 1HG1 ILE 93 4.200 1.772 2.518 667 HG13 ILE 93 2HG1 ILE 93 3.775 2.595 4.014 668 HG21 ILE 93 1HG2 ILE 93 4.809 -0.535 2.679 669 HG22 ILE 93 2HG2 ILE 93 3.965 -1.610 3.793 670 HG23 ILE 93 3HG2 ILE 93 3.087 -0.851 2.465 671 HD11 ILE 93 1HD1 ILE 93 6.285 1.094 3.363 672 HD12 ILE 93 2HD1 ILE 93 6.098 2.784 3.831 673 HD13 ILE 93 3HD1 ILE 93 5.834 1.506 5.017 674 H LYS 94 H LYS 94 0.873 -1.042 2.702 675 HA LYS 94 HA LYS 94 0.371 -2.865 4.952 676 HB2 LYS 94 1HB LYS 94 -1.603 -1.848 2.924 677 HB3 LYS 94 2HB LYS 94 -1.846 -3.390 3.735 678 HG2 LYS 94 1HG LYS 94 -1.322 -0.944 5.358 679 HG3 LYS 94 2HG LYS 94 -2.929 -1.222 4.681 680 HD2 LYS 94 1HD LYS 94 -2.802 -3.534 5.734 681 HD3 LYS 94 2HD LYS 94 -1.397 -2.938 6.621 682 HE2 LYS 94 1HE LYS 94 -2.846 -1.056 7.442 683 HE3 LYS 94 2HE LYS 94 -4.222 -1.894 6.725 684 HZ1 LYS 94 1HZ LYS 94 -3.692 -3.815 8.137 685 HZ2 LYS 94 2HZ LYS 94 -4.059 -2.436 9.045 686 HZ3 LYS 94 3HZ LYS 94 -2.450 -2.931 8.872 687 H ILE 95 H ILE 95 0.662 -4.997 4.525 688 HA ILE 95 HA ILE 95 1.683 -5.661 1.858 689 HB ILE 95 HB ILE 95 1.917 -7.182 4.458 690 HG12 ILE 95 1HG1 ILE 95 4.254 -6.047 2.998 691 HG13 ILE 95 2HG1 ILE 95 3.231 -4.931 3.896 692 HG21 ILE 95 1HG2 ILE 95 3.800 -8.025 2.510 693 HG22 ILE 95 2HG2 ILE 95 2.511 -8.956 3.269 694 HG23 ILE 95 3HG2 ILE 95 2.197 -8.069 1.778 695 HD11 ILE 95 1HD1 ILE 95 5.154 -6.906 4.853 696 HD12 ILE 95 2HD1 ILE 95 4.564 -5.426 5.612 697 HD13 ILE 95 3HD1 ILE 95 3.618 -6.911 5.719 698 H PHE 96 H PHE 96 0.721 -7.111 0.550 699 HA PHE 96 HA PHE 96 -1.704 -8.442 1.564 700 HB2 PHE 96 1HB PHE 96 -1.107 -7.183 -1.100 701 HB3 PHE 96 2HB PHE 96 -2.360 -8.409 -0.939 702 HD1 PHE 96 1HD PHE 96 -1.274 -5.114 0.378 703 HD2 PHE 96 2HD PHE 96 -4.497 -7.827 -0.229 704 HE1 PHE 96 1HE PHE 96 -2.864 -3.383 1.106 705 HE2 PHE 96 2HE PHE 96 -6.092 -6.100 0.496 706 HZ PHE 96 HZ PHE 96 -5.276 -3.874 1.164 707 H GLY 97 H GLY 97 -1.667 -10.589 1.579 708 HA2 GLY 97 1HA GLY 97 -0.432 -12.115 -0.517 709 HA3 GLY 97 2HA GLY 97 0.478 -12.179 0.986 710 H ALA 98 H ALA 98 -0.365 -13.276 2.758 711 HA ALA 98 HA ALA 98 -1.633 -15.618 2.459 712 HB1 ALA 98 1HB ALA 98 -0.767 -14.274 4.608 713 HB2 ALA 98 2HB ALA 98 -2.508 -14.157 4.872 714 HB3 ALA 98 3HB ALA 98 -1.745 -15.739 4.714 715 H ASN 99 H ASN 99 -3.493 -12.864 3.751 716 HA ASN 99 HA ASN 99 -5.836 -13.892 2.289 717 HB2 ASN 99 1HB ASN 99 -5.980 -14.101 4.774 718 HB3 ASN 99 2HB ASN 99 -5.849 -12.349 4.891 719 HD21 ASN 99 1HD2 ASN 99 -7.876 -12.303 5.923 720 HD22 ASN 99 2HD2 ASN 99 -9.342 -12.464 5.023 721 H LYS 100 H LYS 100 -5.933 -12.639 0.511 722 HA LYS 100 HA LYS 100 -5.125 -9.989 0.264 723 HB2 LYS 100 1HB LYS 100 -7.034 -11.720 -1.265 724 HB3 LYS 100 2HB LYS 100 -6.902 -10.011 -1.662 725 HG2 LYS 100 1HG LYS 100 -4.661 -12.022 -1.696 726 HG3 LYS 100 2HG LYS 100 -5.482 -11.342 -3.103 727 HD2 LYS 100 1HD LYS 100 -4.740 -9.067 -2.245 728 HD3 LYS 100 2HD LYS 100 -3.687 -9.944 -1.133 729 HE2 LYS 100 1HE LYS 100 -3.652 -10.375 -4.111 730 HE3 LYS 100 2HE LYS 100 -2.636 -9.181 -3.305 731 HZ1 LYS 100 1HZ LYS 100 -1.230 -10.755 -2.663 732 HZ2 LYS 100 2HZ LYS 100 -2.044 -11.824 -3.689 733 HZ3 LYS 100 3HZ LYS 100 -2.465 -11.738 -2.053 734 H ASN 101 H ASN 101 -7.987 -11.318 1.665 735 HA ASN 101 HA ASN 101 -9.567 -8.933 1.500 736 HB2 ASN 101 1HB ASN 101 -9.832 -11.539 2.975 737 HB3 ASN 101 2HB ASN 101 -10.920 -10.197 3.320 738 HD21 ASN 101 1HD2 ASN 101 -10.228 -12.796 1.274 739 HD22 ASN 101 2HD2 ASN 101 -11.452 -12.506 0.089 740 H LYS 102 H LYS 102 -7.267 -10.269 3.751 741 HA LYS 102 HA LYS 102 -7.491 -7.823 5.359 742 HB2 LYS 102 1HB LYS 102 -7.047 -10.544 6.585 743 HB3 LYS 102 2HB LYS 102 -7.341 -9.024 7.420 744 HG2 LYS 102 1HG LYS 102 -9.612 -8.984 6.384 745 HG3 LYS 102 2HG LYS 102 -9.295 -10.609 5.771 746 HD2 LYS 102 1HD LYS 102 -8.870 -10.100 8.670 747 HD3 LYS 102 2HD LYS 102 -10.531 -10.197 8.080 748 HE2 LYS 102 1HE LYS 102 -9.700 -12.369 6.912 749 HE3 LYS 102 2HE LYS 102 -8.395 -12.291 8.095 750 HZ1 LYS 102 1HZ LYS 102 -9.744 -12.972 9.710 751 HZ2 LYS 102 2HZ LYS 102 -10.839 -13.408 8.497 752 HZ3 LYS 102 3HZ LYS 102 -10.983 -11.908 9.266 753 HA PRO 103 HA PRO 103 -3.136 -8.237 4.127 754 HB2 PRO 103 1HB PRO 103 -2.602 -5.587 4.374 755 HB3 PRO 103 2HB PRO 103 -3.360 -6.284 2.938 756 HG2 PRO 103 1HG PRO 103 -4.628 -4.868 5.250 757 HG3 PRO 103 2HG PRO 103 -4.965 -4.705 3.517 758 HD2 PRO 103 1HD PRO 103 -6.522 -6.178 5.171 759 HD3 PRO 103 2HD PRO 103 -6.275 -6.601 3.465 760 H GLU 104 H GLU 104 -1.123 -7.235 5.223 761 HA GLU 104 HA GLU 104 -1.517 -7.339 8.142 762 HB2 GLU 104 1HB GLU 104 1.141 -7.926 7.742 763 HB3 GLU 104 2HB GLU 104 -0.134 -9.100 8.036 764 HG2 GLU 104 1HG GLU 104 0.453 -8.193 5.253 765 HG3 GLU 104 2HG GLU 104 1.466 -9.411 6.026 766 H ASP 105 H ASP 105 -0.122 -6.040 9.450 767 HA ASP 105 HA ASP 105 0.284 -3.427 8.385 768 HB2 ASP 105 1HB ASP 105 -0.261 -4.255 10.843 769 HB3 ASP 105 2HB ASP 105 1.494 -4.241 10.990 770 H TYR 106 H TYR 106 2.056 -2.533 7.538 771 HA TYR 106 HA TYR 106 4.409 -4.177 7.177 772 HB2 TYR 106 1HB TYR 106 3.586 -2.892 5.283 773 HB3 TYR 106 2HB TYR 106 3.741 -1.395 6.195 774 HD1 TYR 106 1HD TYR 106 6.049 -0.612 6.854 775 HD2 TYR 106 2HD TYR 106 5.414 -3.783 4.089 776 HE1 TYR 106 1HE TYR 106 8.348 -0.341 6.024 777 HE2 TYR 106 2HE TYR 106 7.712 -3.522 3.253 778 HH TYR 106 HH TYR 106 10.070 -2.151 4.750 779 H GLN 107 H GLN 107 5.753 -4.296 8.864 780 HA GLN 107 HA GLN 107 6.391 -1.827 10.330 781 HB2 GLN 107 1HB GLN 107 6.690 -4.722 11.140 782 HB3 GLN 107 2HB GLN 107 7.255 -3.362 12.101 783 HG2 GLN 107 1HG GLN 107 5.011 -2.562 12.388 784 HG3 GLN 107 2HG GLN 107 4.391 -3.791 11.287 785 HE21 GLN 107 1HE2 GLN 107 3.435 -3.454 13.871 786 HE22 GLN 107 2HE2 GLN 107 3.848 -4.846 14.806 787 H GLY 108 H GLY 108 7.561 -2.243 7.817 788 HA2 GLY 108 1HA GLY 108 10.325 -3.018 8.497 789 HA3 GLY 108 2HA GLY 108 9.651 -3.032 6.875 790 H GLY 109 H GLY 109 11.894 -1.822 6.829 791 HA2 GLY 109 1HA GLY 109 11.867 0.916 7.661 792 HA3 GLY 109 2HA GLY 109 13.051 0.161 6.605 793 H ARG 110 H ARG 110 11.272 2.710 6.601 794 HA ARG 110 HA ARG 110 9.752 2.421 4.171 795 HB2 ARG 110 1HB ARG 110 10.255 4.581 6.147 796 HB3 ARG 110 2HB ARG 110 9.816 5.079 4.519 797 HG2 ARG 110 1HG ARG 110 7.720 4.076 4.644 798 HG3 ARG 110 2HG ARG 110 8.190 3.050 6.001 799 HD2 ARG 110 1HD ARG 110 6.694 4.899 6.666 800 HD3 ARG 110 2HD ARG 110 8.260 4.960 7.474 801 HE ARG 110 HE ARG 110 8.074 6.553 5.074 802 HH11 ARG 110 2HH1 ARG 110 7.668 6.459 8.530 803 HH12 ARG 110 1HH1 ARG 110 7.826 8.174 8.726 804 HH21 ARG 110 2HH2 ARG 110 8.284 8.811 5.318 805 HH22 ARG 110 1HH2 ARG 110 8.175 9.510 6.898 806 H THR 111 H THR 111 12.338 1.661 3.665 807 HA THR 111 HA THR 111 13.284 3.838 1.920 808 HB THR 111 HB THR 111 15.606 2.811 2.228 809 HG1 THR 111 1HG THR 111 14.280 1.705 4.500 810 HG21 THR 111 1HG2 THR 111 15.704 3.902 4.653 811 HG22 THR 111 2HG2 THR 111 14.100 4.465 4.185 812 HG23 THR 111 3HG2 THR 111 15.502 4.876 3.198 813 H GLY 112 H GLY 112 13.582 3.314 -0.167 814 HA2 GLY 112 1HA GLY 112 12.523 1.222 -1.462 815 HA3 GLY 112 2HA GLY 112 13.997 1.992 -2.032 816 H GLU 113 H GLU 113 15.500 1.107 0.360 817 HA GLU 113 HA GLU 113 16.342 -1.428 -0.681 818 HB2 GLU 113 1HB GLU 113 17.313 -0.496 1.968 819 HB3 GLU 113 2HB GLU 113 18.209 -1.183 0.620 820 HG2 GLU 113 1HG GLU 113 17.608 1.081 -0.542 821 HG3 GLU 113 2HG GLU 113 17.396 1.637 1.117 822 H ALA 114 H ALA 114 15.199 -0.428 2.549 823 HA ALA 114 HA ALA 114 14.912 -2.958 3.645 824 HB1 ALA 114 1HB ALA 114 14.097 -1.875 5.425 825 HB2 ALA 114 2HB ALA 114 14.473 -0.410 4.517 826 HB3 ALA 114 3HB ALA 114 12.840 -1.073 4.483 827 H ILE 115 H ILE 115 12.461 -1.003 1.958 828 HA ILE 115 HA ILE 115 10.293 -2.687 2.163 829 HB ILE 115 HB ILE 115 11.059 -1.011 -0.229 830 HG12 ILE 115 1HG1 ILE 115 9.007 -0.200 1.779 831 HG13 ILE 115 2HG1 ILE 115 10.703 -0.043 2.222 832 HG21 ILE 115 1HG2 ILE 115 8.519 -1.000 -0.536 833 HG22 ILE 115 2HG2 ILE 115 9.393 -2.458 -0.999 834 HG23 ILE 115 3HG2 ILE 115 8.514 -2.405 0.529 835 HD11 ILE 115 1HD1 ILE 115 11.109 1.438 0.396 836 HD12 ILE 115 2HD1 ILE 115 9.493 1.158 -0.253 837 HD13 ILE 115 3HD1 ILE 115 9.693 2.013 1.276 838 H VAL 116 H VAL 116 12.941 -2.805 -0.181 839 HA VAL 116 HA VAL 116 11.925 -4.844 -1.815 840 HB VAL 116 HB VAL 116 14.785 -4.100 -1.199 841 HG11 VAL 116 1HG1 VAL 116 15.466 -5.888 -2.321 842 HG12 VAL 116 2HG1 VAL 116 13.793 -6.415 -2.512 843 HG13 VAL 116 3HG1 VAL 116 14.532 -5.367 -3.724 844 HG21 VAL 116 1HG2 VAL 116 14.637 -2.546 -2.815 845 HG22 VAL 116 2HG2 VAL 116 13.639 -3.570 -3.847 846 HG23 VAL 116 3HG2 VAL 116 12.900 -2.660 -2.529 847 H ASP 117 H ASP 117 13.792 -4.961 1.172 848 HA ASP 117 HA ASP 117 14.177 -7.798 1.100 849 HB2 ASP 117 1HB ASP 117 15.549 -5.979 2.366 850 HB3 ASP 117 2HB ASP 117 14.322 -6.167 3.616 851 H ALA 118 H ALA 118 11.810 -5.617 2.487 852 HA ALA 118 HA ALA 118 10.546 -7.509 4.182 853 HB1 ALA 118 1HB ALA 118 8.575 -5.751 3.747 854 HB2 ALA 118 2HB ALA 118 9.923 -5.435 4.839 855 HB3 ALA 118 3HB ALA 118 9.947 -4.787 3.199 856 H ALA 119 H ALA 119 9.644 -6.230 0.978 857 HA ALA 119 HA ALA 119 7.360 -7.730 0.552 858 HB1 ALA 119 1HB ALA 119 7.419 -6.964 -1.584 859 HB2 ALA 119 2HB ALA 119 8.623 -5.879 -0.886 860 HB3 ALA 119 3HB ALA 119 9.138 -7.311 -1.779 861 H LEU 120 H LEU 120 10.737 -8.608 -0.021 862 HA LEU 120 HA LEU 120 10.226 -11.071 -1.305 863 HB2 LEU 120 1HB LEU 120 12.617 -10.147 0.280 864 HB3 LEU 120 2HB LEU 120 12.571 -11.610 -0.701 865 HG LEU 120 HG LEU 120 11.993 -8.968 -1.973 866 HD11 LEU 120 1HD1 LEU 120 14.180 -9.016 -0.527 867 HD12 LEU 120 2HD1 LEU 120 14.187 -8.337 -2.154 868 HD13 LEU 120 3HD1 LEU 120 14.796 -9.969 -1.877 869 HD21 LEU 120 1HD2 LEU 120 12.661 -10.034 -3.942 870 HD22 LEU 120 2HD2 LEU 120 11.747 -11.268 -3.074 871 HD23 LEU 120 3HD2 LEU 120 13.510 -11.312 -3.072 872 H SER 121 H SER 121 11.292 -10.433 2.042 873 HA SER 121 HA SER 121 11.264 -12.911 3.115 874 HB2 SER 121 1HB SER 121 11.565 -10.554 4.231 875 HB3 SER 121 2HB SER 121 9.864 -10.750 4.652 876 HG SER 121 HG SER 121 10.764 -12.975 5.368 877 H ALA 122 H ALA 122 8.420 -10.939 2.420 878 HA ALA 122 HA ALA 122 6.572 -12.830 3.535 879 HB1 ALA 122 1HB ALA 122 4.909 -11.352 2.204 880 HB2 ALA 122 2HB ALA 122 5.750 -10.668 3.595 881 HB3 ALA 122 3HB ALA 122 6.305 -10.301 1.962 882 H LEU 123 H LEU 123 7.616 -11.946 0.263 883 HA LEU 123 HA LEU 123 5.886 -13.489 -1.234 884 HB2 LEU 123 1HB LEU 123 7.627 -11.864 -2.056 885 HB3 LEU 123 2HB LEU 123 8.814 -13.150 -1.846 886 HG LEU 123 HG LEU 123 8.092 -12.882 -4.185 887 HD11 LEU 123 1HD1 LEU 123 7.047 -15.505 -3.182 888 HD12 LEU 123 2HD1 LEU 123 8.760 -15.103 -3.086 889 HD13 LEU 123 3HD1 LEU 123 7.955 -15.159 -4.654 890 HD21 LEU 123 1HD2 LEU 123 5.566 -12.571 -3.085 891 HD22 LEU 123 2HD2 LEU 123 5.505 -14.148 -3.873 892 HD23 LEU 123 3HD2 LEU 123 5.958 -12.717 -4.799 893 H ARG 124 H ARG 124 9.147 -14.464 -0.157 894 HA ARG 124 HA ARG 124 9.074 -17.091 -1.015 895 HB2 ARG 124 1HB ARG 124 10.397 -16.079 1.508 896 HB3 ARG 124 2HB ARG 124 10.817 -17.540 0.624 897 HG2 ARG 124 1HG ARG 124 11.203 -15.878 -1.355 898 HG3 ARG 124 2HG ARG 124 11.353 -14.692 -0.056 899 HD2 ARG 124 1HD ARG 124 13.541 -15.473 -0.499 900 HD3 ARG 124 2HD ARG 124 13.035 -16.244 1.003 901 HE ARG 124 HE ARG 124 12.519 -17.826 -1.341 902 HH11 ARG 124 2HH1 ARG 124 14.868 -16.982 1.086 903 HH12 ARG 124 1HH1 ARG 124 15.765 -18.454 0.916 904 HH21 ARG 124 2HH2 ARG 124 13.691 -19.768 -1.574 905 HH22 ARG 124 1HH2 ARG 124 15.095 -20.038 -0.597 906 H SER 125 H SER 125 8.045 -15.773 2.120 907 HA SER 125 HA SER 125 7.305 -18.197 3.307 908 HB2 SER 125 1HB SER 125 6.372 -16.923 5.007 909 HB3 SER 125 2HB SER 125 7.494 -15.766 4.292 910 HG SER 125 HG SER 125 5.328 -14.955 4.651 911 H GLY 126 H GLY 126 5.598 -16.083 1.092 912 HA2 GLY 126 1HA GLY 126 3.711 -16.451 -0.170 913 HA3 GLY 126 2HA GLY 126 3.802 -18.139 0.311 914 HA PRO 127 HA PRO 127 -0.081 -16.859 2.222 915 HB2 PRO 127 1HB PRO 127 -1.014 -19.390 2.527 916 HB3 PRO 127 2HB PRO 127 -1.113 -18.507 0.999 917 HG2 PRO 127 1HG PRO 127 0.870 -20.575 1.866 918 HG3 PRO 127 2HG PRO 127 0.055 -20.393 0.302 919 HD2 PRO 127 1HD PRO 127 2.600 -19.571 0.722 920 HD3 PRO 127 2HD PRO 127 1.504 -18.746 -0.404 921 H SER 128 H SER 128 1.129 -16.141 4.100 922 HA SER 128 HA SER 128 1.250 -18.178 6.227 923 HB2 SER 128 1HB SER 128 3.482 -17.397 5.762 924 HB3 SER 128 2HB SER 128 2.959 -15.714 5.826 925 HG SER 128 HG SER 128 3.323 -17.551 7.918 926 H SER 129 H SER 129 -0.212 -17.933 7.769 927 HA SER 129 HA SER 129 -1.735 -15.480 7.966 928 HB2 SER 129 1HB SER 129 -3.212 -16.693 9.403 929 HB3 SER 129 2HB SER 129 -2.748 -17.799 8.110 930 HG SER 129 HG SER 129 -1.620 -18.973 9.492 931 H GLY 130 H GLY 130 0.910 -15.031 8.639 932 HA2 GLY 130 1HA GLY 130 1.388 -13.420 10.466 933 HA3 GLY 130 2HA GLY 130 0.736 -14.629 11.563 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -18.354 0.530 -15.003 2 HA2 GLY 1 1HA GLY 1 -16.183 1.831 -14.583 3 HA3 GLY 1 2HA GLY 1 -15.689 0.361 -13.757 4 H SER 2 H SER 2 -14.054 1.115 -15.674 5 HA SER 2 HA SER 2 -14.343 -0.978 -17.646 6 HB2 SER 2 1HB SER 2 -15.461 1.276 -18.462 7 HB3 SER 2 2HB SER 2 -13.789 1.727 -18.797 8 HG SER 2 HG SER 2 -15.332 0.325 -20.332 9 H SER 3 H SER 3 -12.364 -0.773 -19.246 10 HA SER 3 HA SER 3 -10.047 -1.135 -17.735 11 HB2 SER 3 1HB SER 3 -8.853 -1.072 -19.929 12 HB3 SER 3 2HB SER 3 -10.263 -2.131 -19.932 13 HG SER 3 HG SER 3 -9.910 -0.514 -21.740 14 H GLY 4 H GLY 4 -10.838 1.579 -19.918 15 HA2 GLY 4 1HA GLY 4 -9.282 3.341 -18.157 16 HA3 GLY 4 2HA GLY 4 -8.871 3.282 -19.864 17 H SER 5 H SER 5 -10.620 4.910 -17.572 18 HA SER 5 HA SER 5 -12.782 5.722 -19.343 19 HB2 SER 5 1HB SER 5 -12.123 6.566 -16.510 20 HB3 SER 5 2HB SER 5 -13.566 7.044 -17.404 21 HG SER 5 HG SER 5 -14.327 5.300 -16.470 22 H SER 6 H SER 6 -11.288 6.664 -20.918 23 HA SER 6 HA SER 6 -10.497 8.523 -21.978 24 HB2 SER 6 1HB SER 6 -12.373 9.647 -20.622 25 HB3 SER 6 2HB SER 6 -11.096 10.158 -19.518 26 HG SER 6 HG SER 6 -10.063 11.012 -21.514 27 H GLY 7 H GLY 7 -8.737 6.830 -20.661 28 HA2 GLY 7 1HA GLY 7 -6.364 7.084 -20.574 29 HA3 GLY 7 2HA GLY 7 -6.594 8.729 -20.001 30 H ALA 8 H ALA 8 -4.970 8.033 -18.396 31 HA ALA 8 HA ALA 8 -6.256 6.621 -16.149 32 HB1 ALA 8 1HB ALA 8 -3.290 6.715 -16.356 33 HB2 ALA 8 2HB ALA 8 -4.338 5.483 -15.651 34 HB3 ALA 8 3HB ALA 8 -4.172 5.601 -17.402 35 H VAL 9 H VAL 9 -5.810 7.384 -14.042 36 HA VAL 9 HA VAL 9 -4.703 10.115 -13.936 37 HB VAL 9 HB VAL 9 -7.045 9.036 -12.361 38 HG11 VAL 9 1HG1 VAL 9 -5.635 11.697 -12.269 39 HG12 VAL 9 2HG1 VAL 9 -7.222 11.399 -11.556 40 HG13 VAL 9 3HG1 VAL 9 -5.808 10.525 -10.963 41 HG21 VAL 9 1HG2 VAL 9 -7.026 11.284 -14.363 42 HG22 VAL 9 2HG2 VAL 9 -7.433 9.621 -14.785 43 HG23 VAL 9 3HG2 VAL 9 -8.422 10.501 -13.620 44 H SER 10 H SER 10 -3.804 10.752 -11.869 45 HA SER 10 HA SER 10 -3.382 8.946 -9.745 46 HB2 SER 10 1HB SER 10 -1.102 8.291 -10.060 47 HB3 SER 10 2HB SER 10 -1.957 7.881 -11.547 48 HG SER 10 HG SER 10 -0.036 9.846 -11.074 49 H GLY 11 H GLY 11 -1.404 9.749 -8.365 50 HA2 GLY 11 1HA GLY 11 -1.449 12.703 -8.456 51 HA3 GLY 11 2HA GLY 11 -1.467 11.780 -6.961 52 H LEU 12 H LEU 12 0.413 11.553 -5.954 53 HA LEU 12 HA LEU 12 2.780 12.702 -6.771 54 HB2 LEU 12 1HB LEU 12 2.383 10.357 -4.920 55 HB3 LEU 12 2HB LEU 12 3.878 11.279 -5.065 56 HG LEU 12 HG LEU 12 1.239 12.400 -4.124 57 HD11 LEU 12 1HD1 LEU 12 1.940 12.160 -1.941 58 HD12 LEU 12 2HD1 LEU 12 3.637 11.997 -2.390 59 HD13 LEU 12 3HD1 LEU 12 2.519 10.663 -2.672 60 HD21 LEU 12 1HD2 LEU 12 3.772 13.592 -4.910 61 HD22 LEU 12 2HD2 LEU 12 3.293 14.028 -3.269 62 HD23 LEU 12 3HD2 LEU 12 2.205 14.348 -4.621 63 H TYR 13 H TYR 13 1.813 9.294 -7.057 64 HA TYR 13 HA TYR 13 4.210 8.643 -8.541 65 HB2 TYR 13 1HB TYR 13 1.767 6.977 -7.899 66 HB3 TYR 13 2HB TYR 13 3.239 6.371 -8.650 67 HD1 TYR 13 2HD TYR 13 1.858 7.832 -5.543 68 HD2 TYR 13 1HD TYR 13 5.125 5.787 -7.344 69 HE1 TYR 13 2HE TYR 13 2.811 7.406 -3.316 70 HE2 TYR 13 1HE TYR 13 6.087 5.353 -5.122 71 HH TYR 13 HH TYR 13 5.866 6.596 -2.747 72 H SER 14 H SER 14 3.703 7.132 -10.555 73 HA SER 14 HA SER 14 1.506 7.872 -12.203 74 HB2 SER 14 1HB SER 14 4.177 9.180 -12.720 75 HB3 SER 14 2HB SER 14 2.948 9.003 -13.972 76 HG SER 14 HG SER 14 2.553 10.956 -13.085 77 H SER 15 H SER 15 2.071 7.199 -14.604 78 HA SER 15 HA SER 15 2.616 4.452 -14.562 79 HB2 SER 15 1HB SER 15 2.253 6.500 -16.700 80 HB3 SER 15 2HB SER 15 2.937 4.940 -17.157 81 HG SER 15 HG SER 15 0.663 4.932 -17.313 82 H SER 16 H SER 16 4.643 7.205 -15.476 83 HA SER 16 HA SER 16 6.826 6.032 -16.577 84 HB2 SER 16 1HB SER 16 6.644 8.453 -16.204 85 HB3 SER 16 2HB SER 16 6.879 8.210 -14.473 86 HG SER 16 HG SER 16 8.841 8.761 -15.409 87 H ASP 17 H ASP 17 6.224 6.342 -13.085 88 HA ASP 17 HA ASP 17 8.556 4.903 -12.322 89 HB2 ASP 17 1HB ASP 17 7.084 4.682 -10.121 90 HB3 ASP 17 2HB ASP 17 7.838 6.207 -10.577 91 H ASP 18 H ASP 18 8.573 2.832 -11.196 92 HA ASP 18 HA ASP 18 7.162 0.838 -12.684 93 HB2 ASP 18 1HB ASP 18 8.930 0.561 -10.244 94 HB3 ASP 18 2HB ASP 18 8.377 -0.767 -11.261 95 H VAL 19 H VAL 19 6.242 2.733 -10.140 96 HA VAL 19 HA VAL 19 4.812 0.802 -8.574 97 HB VAL 19 HB VAL 19 4.599 3.814 -8.663 98 HG11 VAL 19 1HG1 VAL 19 2.724 2.058 -7.657 99 HG12 VAL 19 2HG1 VAL 19 3.681 2.498 -6.241 100 HG13 VAL 19 3HG1 VAL 19 2.908 3.754 -7.210 101 HG21 VAL 19 1HG2 VAL 19 5.876 3.742 -6.590 102 HG22 VAL 19 2HG2 VAL 19 5.953 1.983 -6.682 103 HG23 VAL 19 3HG2 VAL 19 6.769 2.966 -7.897 104 H ILE 20 H ILE 20 2.800 0.057 -8.839 105 HA ILE 20 HA ILE 20 1.335 0.830 -11.214 106 HB ILE 20 HB ILE 20 0.781 -1.273 -9.121 107 HG12 ILE 20 1HG1 ILE 20 1.526 -1.633 -12.024 108 HG13 ILE 20 2HG1 ILE 20 2.727 -1.560 -10.739 109 HG21 ILE 20 1HG2 ILE 20 -0.949 -2.089 -10.705 110 HG22 ILE 20 2HG2 ILE 20 -1.328 -0.523 -9.990 111 HG23 ILE 20 3HG2 ILE 20 -0.727 -0.614 -11.645 112 HD11 ILE 20 1HD1 ILE 20 0.595 -3.626 -11.166 113 HD12 ILE 20 2HD1 ILE 20 2.346 -3.839 -11.169 114 HD13 ILE 20 3HD1 ILE 20 1.503 -3.481 -9.661 115 H GLU 21 H GLU 21 -0.150 2.371 -11.234 116 HA GLU 21 HA GLU 21 -1.043 3.692 -8.897 117 HB2 GLU 21 1HB GLU 21 -0.887 4.797 -11.093 118 HB3 GLU 21 2HB GLU 21 -2.189 3.779 -11.694 119 HG2 GLU 21 1HG GLU 21 -2.894 6.070 -11.068 120 HG3 GLU 21 2HG GLU 21 -3.763 4.793 -10.220 121 H LEU 22 H LEU 22 -2.140 2.446 -7.464 122 HA LEU 22 HA LEU 22 -4.256 0.676 -8.328 123 HB2 LEU 22 1HB LEU 22 -3.096 1.404 -5.656 124 HB3 LEU 22 2HB LEU 22 -4.550 0.417 -5.798 125 HG LEU 22 HG LEU 22 -1.816 -0.282 -6.867 126 HD11 LEU 22 1HD1 LEU 22 -3.331 -1.713 -4.713 127 HD12 LEU 22 2HD1 LEU 22 -2.265 -0.357 -4.344 128 HD13 LEU 22 3HD1 LEU 22 -1.616 -1.805 -5.114 129 HD21 LEU 22 1HD2 LEU 22 -2.916 -1.626 -8.259 130 HD22 LEU 22 2HD2 LEU 22 -4.464 -1.280 -7.487 131 HD23 LEU 22 3HD2 LEU 22 -3.417 -2.543 -6.839 132 H THR 23 H THR 23 -6.422 0.981 -8.115 133 HA THR 23 HA THR 23 -7.366 3.458 -6.857 134 HB THR 23 HB THR 23 -8.515 4.244 -8.679 135 HG1 THR 23 1HG THR 23 -8.946 2.710 -10.519 136 HG21 THR 23 1HG2 THR 23 -7.065 3.514 -10.807 137 HG22 THR 23 2HG2 THR 23 -5.999 2.929 -9.530 138 HG23 THR 23 3HG2 THR 23 -6.462 4.629 -9.582 139 HA PRO 24 HA PRO 24 -10.629 1.038 -5.197 140 HB2 PRO 24 1HB PRO 24 -12.728 2.759 -5.275 141 HB3 PRO 24 2HB PRO 24 -11.378 2.940 -4.148 142 HG2 PRO 24 1HG PRO 24 -11.875 4.337 -6.749 143 HG3 PRO 24 2HG PRO 24 -11.299 5.007 -5.211 144 HD2 PRO 24 1HD PRO 24 -9.632 4.433 -7.266 145 HD3 PRO 24 2HD PRO 24 -9.136 4.295 -5.567 146 H SER 25 H SER 25 -10.281 1.254 -8.301 147 HA SER 25 HA SER 25 -12.935 0.145 -8.944 148 HB2 SER 25 1HB SER 25 -11.236 2.098 -10.412 149 HB3 SER 25 2HB SER 25 -12.114 0.911 -11.375 150 HG SER 25 HG SER 25 -14.024 1.670 -10.566 151 H ASN 26 H ASN 26 -9.507 -0.214 -9.063 152 HA ASN 26 HA ASN 26 -9.846 -2.807 -10.421 153 HB2 ASN 26 1HB ASN 26 -7.286 -2.313 -10.989 154 HB3 ASN 26 2HB ASN 26 -8.596 -1.758 -12.027 155 HD21 ASN 26 1HD2 ASN 26 -5.997 -0.861 -10.024 156 HD22 ASN 26 2HD2 ASN 26 -6.175 0.852 -10.163 157 H PHE 27 H PHE 27 -8.703 -1.082 -7.711 158 HA PHE 27 HA PHE 27 -6.607 -2.352 -6.644 159 HB2 PHE 27 1HB PHE 27 -8.027 -0.649 -5.483 160 HB3 PHE 27 2HB PHE 27 -9.166 -1.932 -5.090 161 HD1 PHE 27 1HD PHE 27 -8.002 -4.048 -3.941 162 HD2 PHE 27 2HD PHE 27 -6.510 -0.062 -3.874 163 HE1 PHE 27 1HE PHE 27 -6.716 -4.567 -1.909 164 HE2 PHE 27 2HE PHE 27 -5.221 -0.575 -1.843 165 HZ PHE 27 HZ PHE 27 -5.322 -2.830 -0.857 166 H ASN 28 H ASN 28 -9.787 -3.760 -7.080 167 HA ASN 28 HA ASN 28 -9.135 -6.171 -5.638 168 HB2 ASN 28 1HB ASN 28 -11.460 -5.177 -5.826 169 HB3 ASN 28 2HB ASN 28 -11.475 -5.734 -7.496 170 HD21 ASN 28 1HD2 ASN 28 -11.223 -8.029 -7.867 171 HD22 ASN 28 2HD2 ASN 28 -11.814 -9.146 -6.688 172 H ARG 29 H ARG 29 -9.471 -5.192 -9.021 173 HA ARG 29 HA ARG 29 -8.856 -7.821 -10.019 174 HB2 ARG 29 1HB ARG 29 -9.377 -5.143 -11.244 175 HB3 ARG 29 2HB ARG 29 -8.606 -6.390 -12.214 176 HG2 ARG 29 1HG ARG 29 -11.211 -6.800 -10.770 177 HG3 ARG 29 2HG ARG 29 -11.097 -6.227 -12.436 178 HD2 ARG 29 1HD ARG 29 -9.604 -8.689 -11.713 179 HD3 ARG 29 2HD ARG 29 -11.360 -8.802 -11.831 180 HE ARG 29 HE ARG 29 -10.050 -7.545 -14.083 181 HH11 ARG 29 2HH1 ARG 29 -11.268 -10.496 -12.696 182 HH12 ARG 29 1HH1 ARG 29 -11.425 -11.302 -14.222 183 HH21 ARG 29 2HH2 ARG 29 -10.252 -8.595 -16.098 184 HH22 ARG 29 1HH2 ARG 29 -10.846 -10.220 -16.156 185 H GLU 30 H GLU 30 -7.021 -5.418 -8.662 186 HA GLU 30 HA GLU 30 -4.643 -6.094 -10.256 187 HB2 GLU 30 1HB GLU 30 -5.477 -3.679 -8.736 188 HB3 GLU 30 2HB GLU 30 -3.762 -4.065 -8.752 189 HG2 GLU 30 1HG GLU 30 -5.372 -3.885 -11.274 190 HG3 GLU 30 2HG GLU 30 -4.625 -2.472 -10.532 191 H VAL 31 H VAL 31 -5.719 -5.616 -6.901 192 HA VAL 31 HA VAL 31 -3.397 -7.139 -5.962 193 HB VAL 31 HB VAL 31 -5.430 -5.568 -4.372 194 HG11 VAL 31 1HG1 VAL 31 -3.760 -5.811 -2.538 195 HG12 VAL 31 2HG1 VAL 31 -4.524 -7.327 -3.020 196 HG13 VAL 31 3HG1 VAL 31 -2.884 -6.957 -3.553 197 HG21 VAL 31 1HG2 VAL 31 -2.593 -4.735 -4.579 198 HG22 VAL 31 2HG2 VAL 31 -3.623 -4.457 -5.983 199 HG23 VAL 31 3HG2 VAL 31 -4.053 -3.758 -4.422 200 H ILE 32 H ILE 32 -6.841 -6.937 -5.046 201 HA ILE 32 HA ILE 32 -7.051 -9.335 -3.721 202 HB ILE 32 HB ILE 32 -9.191 -8.141 -5.485 203 HG12 ILE 32 1HG1 ILE 32 -8.260 -6.503 -3.888 204 HG13 ILE 32 2HG1 ILE 32 -9.924 -6.926 -3.500 205 HG21 ILE 32 1HG2 ILE 32 -10.665 -9.209 -3.689 206 HG22 ILE 32 2HG2 ILE 32 -9.916 -10.279 -4.873 207 HG23 ILE 32 3HG2 ILE 32 -9.235 -10.143 -3.252 208 HD11 ILE 32 1HD1 ILE 32 -7.444 -7.932 -2.129 209 HD12 ILE 32 2HD1 ILE 32 -8.635 -6.803 -1.483 210 HD13 ILE 32 3HD1 ILE 32 -9.082 -8.482 -1.781 211 H GLN 33 H GLN 33 -7.069 -8.747 -7.178 212 HA GLN 33 HA GLN 33 -7.609 -11.567 -7.720 213 HB2 GLN 33 1HB GLN 33 -7.461 -9.123 -9.473 214 HB3 GLN 33 2HB GLN 33 -7.530 -10.747 -10.142 215 HG2 GLN 33 1HG GLN 33 -9.623 -9.163 -8.778 216 HG3 GLN 33 2HG GLN 33 -9.738 -10.240 -10.168 217 HE21 GLN 33 1HE2 GLN 33 -9.947 -9.951 -6.754 218 HE22 GLN 33 2HE2 GLN 33 -10.453 -11.570 -6.425 219 H SER 34 H SER 34 -5.108 -10.704 -6.483 220 HA SER 34 HA SER 34 -3.262 -11.748 -8.521 221 HB2 SER 34 1HB SER 34 -2.845 -9.352 -8.328 222 HB3 SER 34 2HB SER 34 -2.697 -9.496 -6.577 223 HG SER 34 HG SER 34 -0.982 -10.567 -8.562 224 H ASP 35 H ASP 35 -3.233 -13.804 -7.686 225 HA ASP 35 HA ASP 35 -3.168 -14.581 -5.037 226 HB2 ASP 35 1HB ASP 35 -3.276 -15.972 -7.263 227 HB3 ASP 35 2HB ASP 35 -1.531 -16.082 -7.045 228 H GLY 36 H GLY 36 -0.683 -13.115 -6.926 229 HA2 GLY 36 1HA GLY 36 1.546 -13.991 -5.375 230 HA3 GLY 36 2HA GLY 36 1.530 -12.641 -6.499 231 H LEU 37 H LEU 37 2.904 -11.588 -4.907 232 HA LEU 37 HA LEU 37 1.526 -10.711 -2.477 233 HB2 LEU 37 1HB LEU 37 3.985 -11.613 -2.664 234 HB3 LEU 37 2HB LEU 37 4.333 -9.951 -3.136 235 HG LEU 37 HG LEU 37 3.152 -9.305 -0.939 236 HD11 LEU 37 1HD1 LEU 37 3.251 -12.238 -0.747 237 HD12 LEU 37 2HD1 LEU 37 2.181 -11.080 0.042 238 HD13 LEU 37 3HD1 LEU 37 3.799 -11.363 0.683 239 HD21 LEU 37 1HD2 LEU 37 5.381 -10.194 0.282 240 HD22 LEU 37 2HD2 LEU 37 5.344 -8.795 -0.791 241 HD23 LEU 37 3HD2 LEU 37 5.862 -10.365 -1.407 242 H TRP 38 H TRP 38 0.992 -8.616 -2.079 243 HA TRP 38 HA TRP 38 1.665 -6.624 -4.137 244 HB2 TRP 38 1HB TRP 38 -0.996 -7.535 -3.246 245 HB3 TRP 38 2HB TRP 38 -0.797 -5.786 -3.330 246 HD1 TRP 38 HD TRP 38 -1.058 -8.878 -5.524 247 HE1 TRP 38 1HE TRP 38 -1.279 -8.146 -7.981 248 HE3 TRP 38 3HE TRP 38 -0.112 -3.884 -4.971 249 HZ2 TRP 38 2HZ TRP 38 -1.078 -5.766 -9.486 250 HZ3 TRP 38 3HZ TRP 38 -0.145 -2.450 -6.970 251 HH2 TRP 38 HH TRP 38 -0.618 -3.373 -9.180 252 H LEU 39 H LEU 39 2.387 -4.735 -3.366 253 HA LEU 39 HA LEU 39 2.144 -4.260 -0.469 254 HB2 LEU 39 1HB LEU 39 4.362 -3.911 -2.396 255 HB3 LEU 39 2HB LEU 39 4.195 -2.678 -1.148 256 HG LEU 39 HG LEU 39 4.389 -5.612 -0.508 257 HD11 LEU 39 1HD1 LEU 39 6.773 -4.012 -0.030 258 HD12 LEU 39 2HD1 LEU 39 6.388 -4.188 -1.742 259 HD13 LEU 39 3HD1 LEU 39 6.607 -5.620 -0.736 260 HD21 LEU 39 1HD2 LEU 39 5.396 -4.373 1.604 261 HD22 LEU 39 2HD2 LEU 39 3.661 -4.629 1.415 262 HD23 LEU 39 3HD2 LEU 39 4.370 -3.064 1.017 263 H VAL 40 H VAL 40 0.417 -2.933 -0.293 264 HA VAL 40 HA VAL 40 0.253 -0.593 -2.056 265 HB VAL 40 HB VAL 40 -1.820 -1.638 -0.123 266 HG11 VAL 40 1HG1 VAL 40 -1.735 0.632 -2.058 267 HG12 VAL 40 2HG1 VAL 40 -3.266 -0.190 -1.751 268 HG13 VAL 40 3HG1 VAL 40 -2.391 0.572 -0.422 269 HG21 VAL 40 1HG2 VAL 40 -1.557 -3.286 -1.810 270 HG22 VAL 40 2HG2 VAL 40 -2.990 -2.353 -2.239 271 HG23 VAL 40 3HG2 VAL 40 -1.467 -2.069 -3.082 272 H GLU 41 H GLU 41 0.751 1.374 -1.341 273 HA GLU 41 HA GLU 41 0.994 1.775 1.569 274 HB2 GLU 41 1HB GLU 41 3.188 1.918 0.779 275 HB3 GLU 41 2HB GLU 41 2.702 2.721 -0.707 276 HG2 GLU 41 1HG GLU 41 2.054 4.699 0.721 277 HG3 GLU 41 2HG GLU 41 2.879 3.889 2.052 278 H PHE 42 H PHE 42 -0.533 3.064 2.334 279 HA PHE 42 HA PHE 42 -1.996 4.846 0.597 280 HB2 PHE 42 1HB PHE 42 -2.226 4.331 3.569 281 HB3 PHE 42 2HB PHE 42 -3.330 5.334 2.634 282 HD1 PHE 42 1HD PHE 42 -2.092 1.889 3.104 283 HD2 PHE 42 2HD PHE 42 -5.075 4.379 1.367 284 HE1 PHE 42 1HE PHE 42 -3.439 -0.100 2.574 285 HE2 PHE 42 2HE PHE 42 -6.427 2.394 0.835 286 HZ PHE 42 HZ PHE 42 -5.610 0.150 1.439 287 H TYR 43 H TYR 43 -0.831 6.594 -0.002 288 HA TYR 43 HA TYR 43 0.493 8.161 2.104 289 HB2 TYR 43 1HB TYR 43 1.907 9.088 0.432 290 HB3 TYR 43 2HB TYR 43 1.838 7.359 0.111 291 HD1 TYR 43 1HD TYR 43 0.610 10.661 -1.005 292 HD2 TYR 43 2HD TYR 43 0.957 6.523 -1.933 293 HE1 TYR 43 1HE TYR 43 -0.099 11.126 -3.313 294 HE2 TYR 43 2HE TYR 43 0.250 6.977 -4.245 295 HH TYR 43 HH TYR 43 0.344 9.101 -5.816 296 H ALA 44 H ALA 44 0.619 10.618 1.195 297 HA ALA 44 HA ALA 44 -2.031 11.458 0.287 298 HB1 ALA 44 1HB ALA 44 -2.460 11.626 2.557 299 HB2 ALA 44 2HB ALA 44 -0.813 12.133 2.935 300 HB3 ALA 44 3HB ALA 44 -1.921 13.254 2.145 301 HA PRO 45 HA PRO 45 0.711 14.064 -2.074 302 HB2 PRO 45 1HB PRO 45 -1.243 15.286 -3.508 303 HB3 PRO 45 2HB PRO 45 -0.677 13.648 -3.856 304 HG2 PRO 45 1HG PRO 45 -3.103 14.531 -2.341 305 HG3 PRO 45 2HG PRO 45 -2.944 13.235 -3.541 306 HD2 PRO 45 1HD PRO 45 -2.984 12.757 -0.876 307 HD3 PRO 45 2HD PRO 45 -2.054 11.758 -2.011 308 H TRP 46 H TRP 46 -1.123 14.856 0.496 309 HA TRP 46 HA TRP 46 -0.641 17.746 0.168 310 HB2 TRP 46 1HB TRP 46 -2.483 18.098 1.794 311 HB3 TRP 46 2HB TRP 46 -3.021 17.299 0.319 312 HD1 TRP 46 HD TRP 46 -4.399 15.159 0.645 313 HE1 TRP 46 1HE TRP 46 -4.888 13.573 2.612 314 HE3 TRP 46 3HE TRP 46 -1.199 17.144 4.103 315 HZ2 TRP 46 2HZ TRP 46 -4.031 13.212 5.278 316 HZ3 TRP 46 3HZ TRP 46 -1.095 16.120 6.338 317 HH2 TRP 46 HH TRP 46 -2.483 14.195 6.911 318 H CYS 47 H CYS 47 0.068 14.931 1.950 319 HA CYS 47 HA CYS 47 0.904 16.324 4.347 320 HB2 CYS 47 1HB CYS 47 0.005 13.817 3.973 321 HB3 CYS 47 2HB CYS 47 1.735 13.514 3.875 322 HG CYS 47 HG CYS 47 1.500 15.360 6.456 323 H GLY 48 H GLY 48 3.200 15.461 5.170 324 HA2 GLY 48 1HA GLY 48 5.090 16.339 3.095 325 HA3 GLY 48 2HA GLY 48 5.365 16.421 4.829 326 H HIS 49 H HIS 49 5.421 14.231 5.942 327 HA HIS 49 HA HIS 49 7.554 12.746 5.111 328 HB2 HIS 49 1HB HIS 49 6.462 10.847 6.493 329 HB3 HIS 49 2HB HIS 49 6.868 12.354 7.309 330 HD1 HIS 49 1HD HIS 49 5.100 12.619 9.028 331 HD2 HIS 49 2HD HIS 49 3.533 11.528 5.338 332 HE1 HIS 49 1HE HIS 49 2.602 12.691 9.311 333 HE2 HIS 49 2HE HIS 49 1.676 11.945 7.090 334 H CYS 50 H CYS 50 4.335 12.638 3.890 335 HA CYS 50 HA CYS 50 4.548 10.041 2.681 336 HB2 CYS 50 1HB CYS 50 2.556 12.280 2.560 337 HB3 CYS 50 2HB CYS 50 2.475 10.971 1.387 338 HG CYS 50 HG CYS 50 2.719 9.860 4.518 339 H GLN 51 H GLN 51 4.630 13.387 1.480 340 HA GLN 51 HA GLN 51 5.063 12.764 -1.220 341 HB2 GLN 51 1HB GLN 51 5.961 15.215 0.306 342 HB3 GLN 51 2HB GLN 51 5.845 15.080 -1.444 343 HG2 GLN 51 1HG GLN 51 3.481 14.919 -1.361 344 HG3 GLN 51 2HG GLN 51 3.493 14.727 0.391 345 HE21 GLN 51 1HE2 GLN 51 1.882 16.539 -0.031 346 HE22 GLN 51 2HE2 GLN 51 2.511 18.147 0.042 347 H ARG 52 H ARG 52 7.216 12.861 1.504 348 HA ARG 52 HA ARG 52 9.606 12.825 -0.133 349 HB2 ARG 52 1HB ARG 52 10.799 12.642 2.016 350 HB3 ARG 52 2HB ARG 52 9.676 13.995 1.997 351 HG2 ARG 52 1HG ARG 52 9.391 13.031 4.097 352 HG3 ARG 52 2HG ARG 52 8.033 12.418 3.151 353 HD2 ARG 52 1HD ARG 52 8.866 10.289 3.077 354 HD3 ARG 52 2HD ARG 52 10.541 10.826 3.196 355 HE ARG 52 HE ARG 52 8.753 10.212 5.369 356 HH11 ARG 52 2HH1 ARG 52 11.635 11.907 4.399 357 HH12 ARG 52 1HH1 ARG 52 12.305 11.949 5.996 358 HH21 ARG 52 2HH2 ARG 52 9.625 10.261 7.477 359 HH22 ARG 52 1HH2 ARG 52 11.161 11.011 7.746 360 H LEU 53 H LEU 53 7.334 10.591 0.500 361 HA LEU 53 HA LEU 53 9.217 8.359 0.798 362 HB2 LEU 53 1HB LEU 53 7.279 8.508 2.342 363 HB3 LEU 53 2HB LEU 53 6.206 8.337 0.954 364 HG LEU 53 HG LEU 53 7.102 6.091 0.547 365 HD11 LEU 53 1HD1 LEU 53 8.378 5.527 2.991 366 HD12 LEU 53 2HD1 LEU 53 9.139 6.979 2.341 367 HD13 LEU 53 3HD1 LEU 53 9.074 5.509 1.370 368 HD21 LEU 53 1HD2 LEU 53 6.189 5.024 2.616 369 HD22 LEU 53 2HD2 LEU 53 5.128 6.227 1.881 370 HD23 LEU 53 3HD2 LEU 53 6.062 6.636 3.321 371 H THR 54 H THR 54 8.038 10.094 -1.634 372 HA THR 54 HA THR 54 6.916 8.189 -3.398 373 HB THR 54 HB THR 54 8.458 10.448 -4.554 374 HG1 THR 54 1HG THR 54 6.236 10.761 -2.805 375 HG21 THR 54 1HG2 THR 54 5.636 10.315 -5.146 376 HG22 THR 54 2HG2 THR 54 6.399 8.739 -5.362 377 HG23 THR 54 3HG2 THR 54 7.017 10.145 -6.229 378 HA PRO 55 HA PRO 55 11.410 7.909 -5.205 379 HB2 PRO 55 1HB PRO 55 13.413 8.770 -3.588 380 HB3 PRO 55 2HB PRO 55 12.595 9.824 -4.748 381 HG2 PRO 55 1HG PRO 55 12.154 9.550 -1.800 382 HG3 PRO 55 2HG PRO 55 12.232 11.020 -2.787 383 HD2 PRO 55 1HD PRO 55 9.889 9.929 -1.980 384 HD3 PRO 55 2HD PRO 55 10.059 10.792 -3.522 385 H GLU 56 H GLU 56 10.766 7.421 -1.802 386 HA GLU 56 HA GLU 56 12.647 5.260 -1.515 387 HB2 GLU 56 1HB GLU 56 10.483 6.384 0.254 388 HB3 GLU 56 2HB GLU 56 11.382 4.936 0.689 389 HG2 GLU 56 1HG GLU 56 12.684 7.573 0.071 390 HG3 GLU 56 2HG GLU 56 12.220 7.067 1.694 391 H TRP 57 H TRP 57 9.153 5.589 -1.931 392 HA TRP 57 HA TRP 57 8.622 2.790 -1.727 393 HB2 TRP 57 1HB TRP 57 6.981 4.722 -1.345 394 HB3 TRP 57 2HB TRP 57 6.851 4.806 -3.100 395 HD1 TRP 57 HD TRP 57 4.727 3.628 -3.874 396 HE1 TRP 57 1HE TRP 57 3.424 1.516 -3.192 397 HE3 TRP 57 3HE TRP 57 7.643 2.103 0.039 398 HZ2 TRP 57 2HZ TRP 57 3.606 -0.525 -1.251 399 HZ3 TRP 57 3HZ TRP 57 7.009 0.061 1.256 400 HH2 TRP 57 HH TRP 57 5.032 -1.225 0.623 401 H LYS 58 H LYS 58 8.938 5.057 -4.439 402 HA LYS 58 HA LYS 58 8.320 3.351 -6.532 403 HB2 LYS 58 1HB LYS 58 10.083 5.754 -6.275 404 HB3 LYS 58 2HB LYS 58 10.110 4.833 -7.773 405 HG2 LYS 58 1HG LYS 58 7.731 5.187 -8.067 406 HG3 LYS 58 2HG LYS 58 7.651 6.045 -6.527 407 HD2 LYS 58 1HD LYS 58 9.410 7.617 -7.536 408 HD3 LYS 58 2HD LYS 58 8.977 6.891 -9.086 409 HE2 LYS 58 1HE LYS 58 6.692 7.598 -8.835 410 HE3 LYS 58 2HE LYS 58 7.005 8.172 -7.197 411 HZ1 LYS 58 1HZ LYS 58 8.544 9.811 -8.135 412 HZ2 LYS 58 2HZ LYS 58 6.972 10.012 -8.727 413 HZ3 LYS 58 3HZ LYS 58 8.155 9.290 -9.697 414 H LYS 59 H LYS 59 11.566 4.049 -5.226 415 HA LYS 59 HA LYS 59 13.141 2.450 -6.731 416 HB2 LYS 59 1HB LYS 59 13.186 3.148 -3.831 417 HB3 LYS 59 2HB LYS 59 14.312 1.926 -4.407 418 HG2 LYS 59 1HG LYS 59 15.170 3.531 -6.064 419 HG3 LYS 59 2HG LYS 59 14.081 4.757 -5.409 420 HD2 LYS 59 1HD LYS 59 15.902 3.345 -3.527 421 HD3 LYS 59 2HD LYS 59 16.597 4.555 -4.608 422 HE2 LYS 59 1HE LYS 59 14.729 6.096 -3.798 423 HE3 LYS 59 2HE LYS 59 14.468 4.912 -2.518 424 HZ1 LYS 59 1HZ LYS 59 17.034 5.221 -2.213 425 HZ2 LYS 59 2HZ LYS 59 15.942 6.303 -1.509 426 HZ3 LYS 59 3HZ LYS 59 16.735 6.717 -2.945 427 H ALA 60 H ALA 60 11.471 1.317 -3.787 428 HA ALA 60 HA ALA 60 12.157 -1.376 -4.015 429 HB1 ALA 60 1HB ALA 60 10.760 -1.739 -2.256 430 HB2 ALA 60 2HB ALA 60 10.911 0.014 -2.134 431 HB3 ALA 60 3HB ALA 60 9.492 -0.697 -2.902 432 H ALA 61 H ALA 61 9.551 0.456 -5.496 433 HA ALA 61 HA ALA 61 8.047 -1.728 -6.460 434 HB1 ALA 61 1HB ALA 61 7.639 0.323 -8.275 435 HB2 ALA 61 2HB ALA 61 6.706 0.015 -6.810 436 HB3 ALA 61 3HB ALA 61 8.053 1.152 -6.774 437 H THR 62 H THR 62 10.755 0.084 -7.810 438 HA THR 62 HA THR 62 10.692 -0.995 -10.404 439 HB THR 62 HB THR 62 13.107 -0.032 -8.860 440 HG1 THR 62 1HG THR 62 11.749 1.509 -10.779 441 HG21 THR 62 1HG2 THR 62 12.735 -0.053 -11.846 442 HG22 THR 62 2HG2 THR 62 13.475 -1.400 -10.982 443 HG23 THR 62 3HG2 THR 62 14.218 0.198 -10.927 444 H ALA 63 H ALA 63 12.406 -2.038 -7.479 445 HA ALA 63 HA ALA 63 13.665 -4.265 -8.763 446 HB1 ALA 63 1HB ALA 63 13.740 -4.818 -6.074 447 HB2 ALA 63 2HB ALA 63 14.947 -3.897 -6.972 448 HB3 ALA 63 3HB ALA 63 13.657 -3.057 -6.112 449 H LEU 64 H LEU 64 10.967 -3.941 -6.461 450 HA LEU 64 HA LEU 64 10.296 -6.745 -6.745 451 HB2 LEU 64 1HB LEU 64 8.599 -4.720 -5.341 452 HB3 LEU 64 2HB LEU 64 8.783 -6.440 -5.003 453 HG LEU 64 HG LEU 64 11.121 -4.630 -4.600 454 HD11 LEU 64 1HD1 LEU 64 9.838 -3.329 -3.278 455 HD12 LEU 64 2HD1 LEU 64 10.068 -4.648 -2.131 456 HD13 LEU 64 3HD1 LEU 64 8.590 -4.560 -3.087 457 HD21 LEU 64 1HD2 LEU 64 10.894 -6.424 -2.519 458 HD22 LEU 64 2HD2 LEU 64 11.909 -6.612 -3.949 459 HD23 LEU 64 3HD2 LEU 64 10.299 -7.331 -3.910 460 H LYS 65 H LYS 65 10.015 -4.540 -8.904 461 HA LYS 65 HA LYS 65 7.338 -4.114 -9.513 462 HB2 LYS 65 1HB LYS 65 8.775 -2.878 -10.834 463 HB3 LYS 65 2HB LYS 65 9.848 -4.240 -11.126 464 HG2 LYS 65 1HG LYS 65 8.159 -5.226 -12.615 465 HG3 LYS 65 2HG LYS 65 7.131 -3.816 -12.353 466 HD2 LYS 65 1HD LYS 65 8.181 -3.231 -14.313 467 HD3 LYS 65 2HD LYS 65 9.265 -2.502 -13.126 468 HE2 LYS 65 1HE LYS 65 10.921 -4.031 -13.499 469 HE3 LYS 65 2HE LYS 65 9.792 -5.306 -13.955 470 HZ1 LYS 65 1HZ LYS 65 11.140 -4.461 -15.823 471 HZ2 LYS 65 2HZ LYS 65 10.415 -2.944 -15.643 472 HZ3 LYS 65 3HZ LYS 65 9.477 -4.283 -16.079 473 H ASP 66 H ASP 66 9.456 -6.777 -10.546 474 HA ASP 66 HA ASP 66 7.156 -8.183 -11.666 475 HB2 ASP 66 1HB ASP 66 10.128 -8.537 -11.846 476 HB3 ASP 66 2HB ASP 66 9.062 -9.883 -12.236 477 H VAL 67 H VAL 67 9.084 -8.113 -8.841 478 HA VAL 67 HA VAL 67 8.508 -10.836 -8.047 479 HB VAL 67 HB VAL 67 9.578 -8.722 -6.203 480 HG11 VAL 67 1HG1 VAL 67 9.093 -10.814 -5.159 481 HG12 VAL 67 2HG1 VAL 67 9.923 -11.707 -6.436 482 HG13 VAL 67 3HG1 VAL 67 10.844 -10.692 -5.325 483 HG21 VAL 67 1HG2 VAL 67 11.621 -8.653 -7.162 484 HG22 VAL 67 2HG2 VAL 67 11.536 -10.324 -7.720 485 HG23 VAL 67 3HG2 VAL 67 10.716 -9.050 -8.622 486 H VAL 68 H VAL 68 7.908 -7.724 -6.409 487 HA VAL 68 HA VAL 68 5.303 -8.798 -5.539 488 HB VAL 68 HB VAL 68 7.131 -6.942 -4.008 489 HG11 VAL 68 1HG1 VAL 68 4.905 -6.294 -3.524 490 HG12 VAL 68 2HG1 VAL 68 4.365 -7.970 -3.419 491 HG13 VAL 68 3HG1 VAL 68 5.431 -7.307 -2.180 492 HG21 VAL 68 1HG2 VAL 68 6.914 -8.960 -2.362 493 HG22 VAL 68 2HG2 VAL 68 6.528 -9.861 -3.828 494 HG23 VAL 68 3HG2 VAL 68 8.073 -9.022 -3.690 495 H LYS 69 H LYS 69 3.741 -7.788 -6.612 496 HA LYS 69 HA LYS 69 3.945 -5.404 -8.014 497 HB2 LYS 69 1HB LYS 69 1.548 -6.800 -6.829 498 HB3 LYS 69 2HB LYS 69 1.406 -5.368 -7.841 499 HG2 LYS 69 1HG LYS 69 2.949 -7.706 -8.852 500 HG3 LYS 69 2HG LYS 69 1.184 -7.762 -8.864 501 HD2 LYS 69 1HD LYS 69 1.036 -5.889 -10.291 502 HD3 LYS 69 2HD LYS 69 2.726 -5.456 -10.027 503 HE2 LYS 69 1HE LYS 69 3.496 -7.271 -11.321 504 HE3 LYS 69 2HE LYS 69 1.914 -8.049 -11.312 505 HZ1 LYS 69 1HZ LYS 69 2.911 -5.896 -12.988 506 HZ2 LYS 69 2HZ LYS 69 1.308 -5.741 -12.471 507 HZ3 LYS 69 3HZ LYS 69 1.788 -7.111 -13.339 508 H VAL 70 H VAL 70 4.773 -3.656 -6.977 509 HA VAL 70 HA VAL 70 3.655 -2.831 -4.413 510 HB VAL 70 HB VAL 70 5.908 -1.637 -6.035 511 HG11 VAL 70 1HG1 VAL 70 6.360 -0.197 -4.222 512 HG12 VAL 70 2HG1 VAL 70 4.622 -0.075 -4.503 513 HG13 VAL 70 3HG1 VAL 70 5.234 -1.047 -3.164 514 HG21 VAL 70 1HG2 VAL 70 5.758 -3.779 -4.028 515 HG22 VAL 70 2HG2 VAL 70 6.967 -3.473 -5.275 516 HG23 VAL 70 3HG2 VAL 70 7.025 -2.583 -3.753 517 H GLY 71 H GLY 71 1.677 -1.932 -4.723 518 HA2 GLY 71 1HA GLY 71 1.315 0.021 -6.870 519 HA3 GLY 71 2HA GLY 71 0.045 -0.669 -5.871 520 H ALA 72 H ALA 72 -0.584 1.671 -5.856 521 HA ALA 72 HA ALA 72 0.221 2.826 -3.357 522 HB1 ALA 72 1HB ALA 72 0.996 4.965 -4.241 523 HB2 ALA 72 2HB ALA 72 2.032 3.641 -4.777 524 HB3 ALA 72 3HB ALA 72 0.853 4.343 -5.886 525 H VAL 73 H VAL 73 -1.496 3.782 -2.474 526 HA VAL 73 HA VAL 73 -3.649 4.711 -4.262 527 HB VAL 73 HB VAL 73 -3.796 3.122 -1.728 528 HG11 VAL 73 1HG1 VAL 73 -5.585 5.316 -2.528 529 HG12 VAL 73 2HG1 VAL 73 -6.385 3.804 -2.095 530 HG13 VAL 73 3HG1 VAL 73 -5.308 4.596 -0.943 531 HG21 VAL 73 1HG2 VAL 73 -5.377 2.979 -4.292 532 HG22 VAL 73 2HG2 VAL 73 -3.926 2.035 -3.956 533 HG23 VAL 73 3HG2 VAL 73 -5.376 1.802 -2.978 534 H ASN 74 H ASN 74 -4.168 6.786 -4.070 535 HA ASN 74 HA ASN 74 -2.891 8.451 -2.132 536 HB2 ASN 74 1HB ASN 74 -3.317 9.306 -4.363 537 HB3 ASN 74 2HB ASN 74 -5.048 9.052 -4.166 538 HD21 ASN 74 1HD2 ASN 74 -4.765 11.414 -4.867 539 HD22 ASN 74 2HD2 ASN 74 -4.713 12.570 -3.584 540 H ALA 75 H ALA 75 -3.596 7.763 -0.105 541 HA ALA 75 HA ALA 75 -6.066 7.169 0.827 542 HB1 ALA 75 1HB ALA 75 -4.130 7.109 2.260 543 HB2 ALA 75 2HB ALA 75 -3.994 8.867 2.209 544 HB3 ALA 75 3HB ALA 75 -5.374 8.112 3.007 545 H ASP 76 H ASP 76 -4.811 10.422 0.232 546 HA ASP 76 HA ASP 76 -6.941 11.882 1.306 547 HB2 ASP 76 1HB ASP 76 -4.819 12.923 0.679 548 HB3 ASP 76 2HB ASP 76 -5.137 12.584 -1.019 549 H LYS 77 H LYS 77 -6.435 10.625 -1.971 550 HA LYS 77 HA LYS 77 -8.992 11.619 -2.878 551 HB2 LYS 77 1HB LYS 77 -7.260 11.608 -4.509 552 HB3 LYS 77 2HB LYS 77 -6.848 9.934 -4.163 553 HG2 LYS 77 1HG LYS 77 -9.280 9.455 -4.951 554 HG3 LYS 77 2HG LYS 77 -9.138 11.036 -5.723 555 HD2 LYS 77 1HD LYS 77 -7.089 8.864 -6.094 556 HD3 LYS 77 2HD LYS 77 -8.509 9.015 -7.131 557 HE2 LYS 77 1HE LYS 77 -6.610 11.297 -6.661 558 HE3 LYS 77 2HE LYS 77 -6.354 10.109 -7.938 559 HZ1 LYS 77 1HZ LYS 77 -8.885 11.621 -7.680 560 HZ2 LYS 77 2HZ LYS 77 -8.315 10.756 -9.017 561 HZ3 LYS 77 3HZ LYS 77 -7.573 12.210 -8.572 562 H HIS 78 H HIS 78 -7.549 8.363 -2.627 563 HA HIS 78 HA HIS 78 -10.171 7.143 -2.759 564 HB2 HIS 78 1HB HIS 78 -7.490 5.825 -2.290 565 HB3 HIS 78 2HB HIS 78 -8.988 5.027 -2.759 566 HD1 HIS 78 1HD HIS 78 -9.880 6.800 -5.076 567 HD2 HIS 78 2HD HIS 78 -5.959 5.545 -4.514 568 HE1 HIS 78 1HE HIS 78 -8.801 6.929 -7.344 569 HE2 HIS 78 2HE HIS 78 -6.454 6.084 -6.995 570 H GLN 79 H GLN 79 -9.939 8.810 -0.548 571 HA GLN 79 HA GLN 79 -9.097 7.855 1.850 572 HB2 GLN 79 1HB GLN 79 -11.538 9.403 1.070 573 HB3 GLN 79 2HB GLN 79 -11.337 8.892 2.740 574 HG2 GLN 79 1HG GLN 79 -9.191 10.063 2.836 575 HG3 GLN 79 2HG GLN 79 -9.411 10.588 1.167 576 HE21 GLN 79 1HE2 GLN 79 -9.455 12.752 1.591 577 HE22 GLN 79 2HE2 GLN 79 -10.727 13.526 2.466 578 H SER 80 H SER 80 -11.844 6.725 -0.011 579 HA SER 80 HA SER 80 -13.076 5.165 1.979 580 HB2 SER 80 1HB SER 80 -13.094 5.096 -1.026 581 HB3 SER 80 2HB SER 80 -13.918 3.842 -0.098 582 HG SER 80 HG SER 80 -15.288 5.618 -0.633 583 H LEU 81 H LEU 81 -10.623 4.351 -0.451 584 HA LEU 81 HA LEU 81 -10.417 1.622 0.083 585 HB2 LEU 81 1HB LEU 81 -8.461 3.645 -0.956 586 HB3 LEU 81 2HB LEU 81 -8.010 1.954 -0.744 587 HG LEU 81 HG LEU 81 -10.152 3.028 -2.578 588 HD11 LEU 81 1HD1 LEU 81 -8.246 3.430 -3.754 589 HD12 LEU 81 2HD1 LEU 81 -8.494 1.739 -4.189 590 HD13 LEU 81 3HD1 LEU 81 -7.334 2.164 -2.930 591 HD21 LEU 81 1HD2 LEU 81 -9.767 0.408 -1.430 592 HD22 LEU 81 2HD2 LEU 81 -9.613 0.364 -3.187 593 HD23 LEU 81 3HD2 LEU 81 -11.077 1.011 -2.445 594 H GLY 82 H GLY 82 -8.508 4.317 1.424 595 HA2 GLY 82 1HA GLY 82 -6.898 2.792 3.132 596 HA3 GLY 82 2HA GLY 82 -7.293 4.488 3.363 597 H GLY 83 H GLY 83 -9.748 4.728 4.080 598 HA2 GLY 83 1HA GLY 83 -9.913 3.772 6.694 599 HA3 GLY 83 2HA GLY 83 -11.258 4.442 5.783 600 H GLN 84 H GLN 84 -11.175 2.407 3.713 601 HA GLN 84 HA GLN 84 -12.953 0.549 4.823 602 HB2 GLN 84 1HB GLN 84 -12.925 1.076 2.439 603 HB3 GLN 84 2HB GLN 84 -11.327 0.358 2.281 604 HG2 GLN 84 1HG GLN 84 -12.121 -1.787 2.441 605 HG3 GLN 84 2HG GLN 84 -13.560 -1.303 3.336 606 HE21 GLN 84 1HE2 GLN 84 -12.033 -0.881 0.165 607 HE22 GLN 84 2HE2 GLN 84 -13.500 -0.948 -0.743 608 H TYR 85 H TYR 85 -9.567 0.686 4.952 609 HA TYR 85 HA TYR 85 -9.394 -2.171 5.641 610 HB2 TYR 85 1HB TYR 85 -7.397 -0.230 4.524 611 HB3 TYR 85 2HB TYR 85 -6.849 -1.652 5.404 612 HD1 TYR 85 1HD TYR 85 -9.249 -0.787 2.668 613 HD2 TYR 85 2HD TYR 85 -6.369 -3.536 4.168 614 HE1 TYR 85 1HE TYR 85 -9.477 -2.134 0.622 615 HE2 TYR 85 2HE TYR 85 -6.588 -4.889 2.126 616 HH TYR 85 HH TYR 85 -9.093 -4.588 -0.018 617 H GLY 86 H GLY 86 -8.564 1.092 6.695 618 HA2 GLY 86 1HA GLY 86 -8.979 1.287 9.205 619 HA3 GLY 86 2HA GLY 86 -7.793 -0.004 9.322 620 H VAL 87 H VAL 87 -7.723 2.770 7.135 621 HA VAL 87 HA VAL 87 -5.081 3.455 8.160 622 HB VAL 87 HB VAL 87 -6.559 4.677 5.826 623 HG11 VAL 87 1HG1 VAL 87 -4.664 5.963 6.893 624 HG12 VAL 87 2HG1 VAL 87 -3.599 4.656 6.371 625 HG13 VAL 87 3HG1 VAL 87 -4.482 5.606 5.176 626 HG21 VAL 87 1HG2 VAL 87 -6.163 2.210 5.621 627 HG22 VAL 87 2HG2 VAL 87 -5.378 3.190 4.383 628 HG23 VAL 87 3HG2 VAL 87 -4.434 2.543 5.724 629 H GLN 88 H GLN 88 -4.798 4.994 9.623 630 HA GLN 88 HA GLN 88 -6.858 7.085 9.881 631 HB2 GLN 88 1HB GLN 88 -5.239 5.634 11.951 632 HB3 GLN 88 2HB GLN 88 -5.898 7.229 12.289 633 HG2 GLN 88 1HG GLN 88 -8.138 6.172 11.493 634 HG3 GLN 88 2HG GLN 88 -7.321 4.649 11.843 635 HE21 GLN 88 1HE2 GLN 88 -8.292 3.975 13.644 636 HE22 GLN 88 2HE2 GLN 88 -8.398 4.875 15.115 637 H GLY 89 H GLY 89 -3.406 6.361 10.001 638 HA2 GLY 89 1HA GLY 89 -2.883 9.194 9.399 639 HA3 GLY 89 2HA GLY 89 -2.001 8.413 10.703 640 H PHE 90 H PHE 90 -1.601 9.439 7.700 641 HA PHE 90 HA PHE 90 -0.133 7.116 6.705 642 HB2 PHE 90 1HB PHE 90 -0.092 9.597 5.116 643 HB3 PHE 90 2HB PHE 90 -0.438 7.944 4.618 644 HD1 PHE 90 2HD PHE 90 -2.729 7.182 6.169 645 HD2 PHE 90 1HD PHE 90 -1.809 10.948 4.410 646 HE1 PHE 90 2HE PHE 90 -5.129 7.717 6.065 647 HE2 PHE 90 1HE PHE 90 -4.207 11.488 4.305 648 HZ PHE 90 HZ PHE 90 -5.870 9.871 5.132 649 HA PRO 91 HA PRO 91 1.353 7.336 4.696 650 HB2 PRO 91 1HB PRO 91 3.651 5.890 4.651 651 HB3 PRO 91 2HB PRO 91 3.519 7.507 3.948 652 HG2 PRO 91 1HG PRO 91 4.638 6.678 6.599 653 HG3 PRO 91 2HG PRO 91 5.277 7.851 5.432 654 HD2 PRO 91 1HD PRO 91 3.905 8.596 7.645 655 HD3 PRO 91 2HD PRO 91 3.840 9.514 6.127 656 H THR 92 H THR 92 0.614 5.239 4.515 657 HA THR 92 HA THR 92 0.960 3.475 6.841 658 HB THR 92 HB THR 92 -1.664 4.138 5.496 659 HG1 THR 92 1HG THR 92 -1.838 5.423 7.158 660 HG21 THR 92 1HG2 THR 92 -2.709 2.440 6.780 661 HG22 THR 92 2HG2 THR 92 -1.243 2.144 7.714 662 HG23 THR 92 3HG2 THR 92 -1.314 1.681 6.013 663 H ILE 93 H ILE 93 2.165 1.900 5.941 664 HA ILE 93 HA ILE 93 1.547 0.916 3.274 665 HB ILE 93 HB ILE 93 3.726 0.126 5.209 666 HG12 ILE 93 1HG1 ILE 93 4.200 1.477 2.587 667 HG13 ILE 93 2HG1 ILE 93 3.626 2.448 3.938 668 HG21 ILE 93 1HG2 ILE 93 3.658 -1.772 3.976 669 HG22 ILE 93 2HG2 ILE 93 2.863 -0.989 2.612 670 HG23 ILE 93 3HG2 ILE 93 4.599 -0.791 2.853 671 HD11 ILE 93 1HD1 ILE 93 5.963 2.628 3.957 672 HD12 ILE 93 2HD1 ILE 93 5.566 1.502 5.256 673 HD13 ILE 93 3HD1 ILE 93 6.180 0.894 3.719 674 H LYS 94 H LYS 94 0.828 -1.131 2.792 675 HA LYS 94 HA LYS 94 0.161 -2.913 5.024 676 HB2 LYS 94 1HB LYS 94 -1.737 -1.841 2.949 677 HB3 LYS 94 2HB LYS 94 -2.047 -3.362 3.775 678 HG2 LYS 94 1HG LYS 94 -1.509 -0.854 5.318 679 HG3 LYS 94 2HG LYS 94 -3.120 -1.221 4.695 680 HD2 LYS 94 1HD LYS 94 -2.831 -3.496 5.850 681 HD3 LYS 94 2HD LYS 94 -1.494 -2.735 6.716 682 HE2 LYS 94 1HE LYS 94 -3.043 -0.976 7.492 683 HE3 LYS 94 2HE LYS 94 -4.367 -1.815 6.684 684 HZ1 LYS 94 1HZ LYS 94 -4.603 -2.749 8.701 685 HZ2 LYS 94 2HZ LYS 94 -3.001 -2.463 9.162 686 HZ3 LYS 94 3HZ LYS 94 -3.372 -3.781 8.169 687 H ILE 95 H ILE 95 0.684 -4.968 4.633 688 HA ILE 95 HA ILE 95 1.607 -5.676 1.956 689 HB ILE 95 HB ILE 95 1.903 -7.066 4.616 690 HG12 ILE 95 1HG1 ILE 95 4.129 -6.122 2.840 691 HG13 ILE 95 2HG1 ILE 95 3.288 -4.972 3.874 692 HG21 ILE 95 1HG2 ILE 95 1.910 -8.926 3.320 693 HG22 ILE 95 2HG2 ILE 95 2.344 -8.041 1.859 694 HG23 ILE 95 3HG2 ILE 95 3.581 -8.431 3.054 695 HD11 ILE 95 1HD1 ILE 95 5.368 -6.800 4.535 696 HD12 ILE 95 2HD1 ILE 95 4.612 -5.562 5.538 697 HD13 ILE 95 3HD1 ILE 95 3.932 -7.188 5.482 698 H PHE 96 H PHE 96 0.666 -7.170 0.673 699 HA PHE 96 HA PHE 96 -1.773 -8.469 1.696 700 HB2 PHE 96 1HB PHE 96 -1.135 -7.332 -1.019 701 HB3 PHE 96 2HB PHE 96 -2.436 -8.496 -0.786 702 HD1 PHE 96 1HD PHE 96 -1.201 -5.211 0.442 703 HD2 PHE 96 2HD PHE 96 -4.548 -7.764 -0.189 704 HE1 PHE 96 1HE PHE 96 -2.715 -3.381 1.087 705 HE2 PHE 96 2HE PHE 96 -6.067 -5.938 0.453 706 HZ PHE 96 HZ PHE 96 -5.151 -3.743 1.091 707 H GLY 97 H GLY 97 -1.778 -10.619 1.738 708 HA2 GLY 97 1HA GLY 97 -0.474 -12.193 -0.283 709 HA3 GLY 97 2HA GLY 97 0.362 -12.246 1.263 710 H ALA 98 H ALA 98 -0.581 -13.302 3.010 711 HA ALA 98 HA ALA 98 -1.924 -15.622 2.617 712 HB1 ALA 98 1HB ALA 98 -1.284 -15.610 4.764 713 HB2 ALA 98 2HB ALA 98 -1.499 -13.866 4.923 714 HB3 ALA 98 3HB ALA 98 -2.887 -14.943 5.071 715 H ASN 99 H ASN 99 -3.564 -12.691 3.835 716 HA ASN 99 HA ASN 99 -6.011 -13.629 2.486 717 HB2 ASN 99 1HB ASN 99 -6.106 -13.764 4.984 718 HB3 ASN 99 2HB ASN 99 -5.885 -12.018 5.043 719 HD21 ASN 99 1HD2 ASN 99 -7.860 -11.694 6.041 720 HD22 ASN 99 2HD2 ASN 99 -9.360 -11.864 5.200 721 H LYS 100 H LYS 100 -6.198 -12.406 0.714 722 HA LYS 100 HA LYS 100 -5.193 -9.805 0.396 723 HB2 LYS 100 1HB LYS 100 -7.221 -11.440 -1.099 724 HB3 LYS 100 2HB LYS 100 -6.916 -9.767 -1.548 725 HG2 LYS 100 1HG LYS 100 -4.901 -12.003 -1.502 726 HG3 LYS 100 2HG LYS 100 -5.614 -11.253 -2.932 727 HD2 LYS 100 1HD LYS 100 -4.642 -9.059 -2.033 728 HD3 LYS 100 2HD LYS 100 -3.674 -10.076 -0.962 729 HE2 LYS 100 1HE LYS 100 -3.742 -10.487 -3.939 730 HE3 LYS 100 2HE LYS 100 -2.618 -9.366 -3.172 731 HZ1 LYS 100 1HZ LYS 100 -1.604 -11.121 -1.989 732 HZ2 LYS 100 2HZ LYS 100 -1.743 -11.658 -3.587 733 HZ3 LYS 100 3HZ LYS 100 -2.817 -12.223 -2.409 734 H ASN 101 H ASN 101 -8.037 -10.958 1.924 735 HA ASN 101 HA ASN 101 -9.540 -8.517 1.677 736 HB2 ASN 101 1HB ASN 101 -9.908 -11.102 3.151 737 HB3 ASN 101 2HB ASN 101 -10.894 -9.707 3.582 738 HD21 ASN 101 1HD2 ASN 101 -9.802 -11.462 0.698 739 HD22 ASN 101 2HD2 ASN 101 -11.317 -11.386 -0.129 740 H LYS 102 H LYS 102 -7.296 -9.914 3.952 741 HA LYS 102 HA LYS 102 -7.387 -7.419 5.498 742 HB2 LYS 102 1HB LYS 102 -7.076 -10.126 6.793 743 HB3 LYS 102 2HB LYS 102 -7.294 -8.573 7.588 744 HG2 LYS 102 1HG LYS 102 -9.563 -8.444 6.590 745 HG3 LYS 102 2HG LYS 102 -9.330 -10.076 5.958 746 HD2 LYS 102 1HD LYS 102 -8.856 -9.626 8.857 747 HD3 LYS 102 2HD LYS 102 -10.526 -9.625 8.284 748 HE2 LYS 102 1HE LYS 102 -10.264 -11.849 8.742 749 HE3 LYS 102 2HE LYS 102 -9.746 -11.822 7.057 750 HZ1 LYS 102 1HZ LYS 102 -7.442 -11.336 8.287 751 HZ2 LYS 102 2HZ LYS 102 -7.975 -12.894 7.900 752 HZ3 LYS 102 3HZ LYS 102 -8.194 -12.289 9.465 753 HA PRO 103 HA PRO 103 -3.065 -8.100 4.260 754 HB2 PRO 103 1HB PRO 103 -2.396 -5.474 4.408 755 HB3 PRO 103 2HB PRO 103 -3.194 -6.184 3.000 756 HG2 PRO 103 1HG PRO 103 -4.379 -4.620 5.261 757 HG3 PRO 103 2HG PRO 103 -4.715 -4.504 3.524 758 HD2 PRO 103 1HD PRO 103 -6.337 -5.834 5.235 759 HD3 PRO 103 2HD PRO 103 -6.119 -6.331 3.545 760 H GLU 104 H GLU 104 -0.998 -7.327 5.323 761 HA GLU 104 HA GLU 104 -1.363 -7.399 8.234 762 HB2 GLU 104 1HB GLU 104 1.112 -7.987 6.600 763 HB3 GLU 104 2HB GLU 104 0.948 -8.191 8.339 764 HG2 GLU 104 1HG GLU 104 -1.007 -9.774 7.713 765 HG3 GLU 104 2HG GLU 104 -0.239 -9.805 6.127 766 H ASP 105 H ASP 105 0.095 -6.126 9.573 767 HA ASP 105 HA ASP 105 0.339 -3.433 8.554 768 HB2 ASP 105 1HB ASP 105 0.922 -4.624 11.272 769 HB3 ASP 105 2HB ASP 105 1.064 -2.910 10.892 770 H TYR 106 H TYR 106 2.041 -2.991 7.308 771 HA TYR 106 HA TYR 106 4.504 -4.375 7.401 772 HB2 TYR 106 1HB TYR 106 3.672 -3.209 5.388 773 HB3 TYR 106 2HB TYR 106 3.901 -1.664 6.199 774 HD1 TYR 106 2HD TYR 106 6.181 -4.591 6.289 775 HD2 TYR 106 1HD TYR 106 5.520 -0.651 4.825 776 HE1 TYR 106 2HE TYR 106 8.500 -4.511 5.474 777 HE2 TYR 106 1HE TYR 106 7.837 -0.561 4.004 778 HH TYR 106 HH TYR 106 10.194 -2.271 4.959 779 H GLN 107 H GLN 107 5.891 -4.283 9.034 780 HA GLN 107 HA GLN 107 6.182 -1.773 10.526 781 HB2 GLN 107 1HB GLN 107 5.726 -4.177 11.553 782 HB3 GLN 107 2HB GLN 107 7.476 -4.305 11.423 783 HG2 GLN 107 1HG GLN 107 7.346 -3.455 13.512 784 HG3 GLN 107 2HG GLN 107 7.357 -1.940 12.610 785 HE21 GLN 107 1HE2 GLN 107 5.203 -1.055 12.052 786 HE22 GLN 107 2HE2 GLN 107 3.937 -1.218 13.216 787 H GLY 108 H GLY 108 7.917 -4.083 8.559 788 HA2 GLY 108 1HA GLY 108 10.550 -3.480 9.080 789 HA3 GLY 108 2HA GLY 108 9.943 -3.903 7.486 790 H GLY 109 H GLY 109 12.013 -2.317 7.384 791 HA2 GLY 109 1HA GLY 109 11.493 0.462 7.646 792 HA3 GLY 109 2HA GLY 109 12.810 -0.261 6.735 793 H ARG 110 H ARG 110 10.297 1.749 6.426 794 HA ARG 110 HA ARG 110 9.252 0.801 3.901 795 HB2 ARG 110 1HB ARG 110 7.939 2.896 3.931 796 HB3 ARG 110 2HB ARG 110 7.745 1.957 5.405 797 HG2 ARG 110 1HG ARG 110 9.528 3.457 6.415 798 HG3 ARG 110 2HG ARG 110 9.301 4.490 5.003 799 HD2 ARG 110 1HD ARG 110 6.872 4.593 5.561 800 HD3 ARG 110 2HD ARG 110 7.228 3.718 7.050 801 HE ARG 110 HE ARG 110 8.180 5.632 7.926 802 HH11 ARG 110 2HH1 ARG 110 7.453 6.079 4.551 803 HH12 ARG 110 1HH1 ARG 110 7.713 7.792 4.588 804 HH21 ARG 110 2HH2 ARG 110 8.524 7.886 7.988 805 HH22 ARG 110 1HH2 ARG 110 8.323 8.818 6.543 806 H THR 111 H THR 111 11.976 1.065 3.714 807 HA THR 111 HA THR 111 12.313 3.492 2.076 808 HB THR 111 HB THR 111 14.821 3.014 2.433 809 HG1 THR 111 1HG THR 111 14.295 0.906 3.457 810 HG21 THR 111 1HG2 THR 111 13.079 3.942 4.720 811 HG22 THR 111 2HG2 THR 111 13.718 4.938 3.412 812 HG23 THR 111 3HG2 THR 111 14.815 4.223 4.593 813 H GLY 112 H GLY 112 13.076 3.305 0.011 814 HA2 GLY 112 1HA GLY 112 12.530 1.338 -1.667 815 HA3 GLY 112 2HA GLY 112 14.025 2.245 -1.850 816 H GLU 113 H GLU 113 15.362 1.270 0.449 817 HA GLU 113 HA GLU 113 16.369 -1.186 -0.610 818 HB2 GLU 113 1HB GLU 113 17.084 -0.328 2.147 819 HB3 GLU 113 2HB GLU 113 18.112 -0.940 0.858 820 HG2 GLU 113 1HG GLU 113 17.122 1.836 1.326 821 HG3 GLU 113 2HG GLU 113 18.766 1.265 1.047 822 H ALA 114 H ALA 114 15.245 -0.513 2.705 823 HA ALA 114 HA ALA 114 14.886 -3.082 3.565 824 HB1 ALA 114 1HB ALA 114 14.658 -1.309 5.120 825 HB2 ALA 114 2HB ALA 114 13.302 -0.612 4.233 826 HB3 ALA 114 3HB ALA 114 13.106 -2.146 5.082 827 H ILE 115 H ILE 115 12.448 -1.066 1.930 828 HA ILE 115 HA ILE 115 10.288 -2.734 1.934 829 HB ILE 115 HB ILE 115 11.208 -1.086 -0.425 830 HG12 ILE 115 1HG1 ILE 115 9.123 -0.171 1.500 831 HG13 ILE 115 2HG1 ILE 115 10.806 -0.081 2.007 832 HG21 ILE 115 1HG2 ILE 115 9.477 -2.681 -1.035 833 HG22 ILE 115 2HG2 ILE 115 8.472 -2.124 0.301 834 HG23 ILE 115 3HG2 ILE 115 8.835 -1.039 -1.040 835 HD11 ILE 115 1HD1 ILE 115 11.210 1.169 -0.177 836 HD12 ILE 115 2HD1 ILE 115 9.455 1.330 -0.260 837 HD13 ILE 115 3HD1 ILE 115 10.340 2.013 1.104 838 H VAL 116 H VAL 116 12.993 -2.806 -0.369 839 HA VAL 116 HA VAL 116 12.059 -4.869 -2.003 840 HB VAL 116 HB VAL 116 14.834 -3.923 -1.340 841 HG11 VAL 116 1HG1 VAL 116 15.147 -5.462 -3.581 842 HG12 VAL 116 2HG1 VAL 116 15.605 -5.937 -1.944 843 HG13 VAL 116 3HG1 VAL 116 14.049 -6.437 -2.606 844 HG21 VAL 116 1HG2 VAL 116 13.220 -2.602 -2.788 845 HG22 VAL 116 2HG2 VAL 116 14.799 -2.954 -3.491 846 HG23 VAL 116 3HG2 VAL 116 13.388 -3.894 -3.977 847 H ASP 117 H ASP 117 14.074 -5.003 0.916 848 HA ASP 117 HA ASP 117 14.388 -7.827 0.879 849 HB2 ASP 117 1HB ASP 117 15.766 -6.008 2.139 850 HB3 ASP 117 2HB ASP 117 14.545 -6.197 3.394 851 H ALA 118 H ALA 118 12.004 -5.655 2.231 852 HA ALA 118 HA ALA 118 10.757 -7.530 3.961 853 HB1 ALA 118 1HB ALA 118 8.772 -5.785 3.457 854 HB2 ALA 118 2HB ALA 118 10.084 -5.473 4.594 855 HB3 ALA 118 3HB ALA 118 10.163 -4.824 2.956 856 H ALA 119 H ALA 119 9.856 -6.317 0.731 857 HA ALA 119 HA ALA 119 7.584 -7.840 0.324 858 HB1 ALA 119 1HB ALA 119 9.283 -7.532 -2.051 859 HB2 ALA 119 2HB ALA 119 7.621 -7.014 -1.765 860 HB3 ALA 119 3HB ALA 119 8.963 -6.043 -1.162 861 H LEU 120 H LEU 120 10.968 -8.710 -0.214 862 HA LEU 120 HA LEU 120 10.465 -11.209 -1.440 863 HB2 LEU 120 1HB LEU 120 12.863 -10.211 0.088 864 HB3 LEU 120 2HB LEU 120 12.822 -11.712 -0.835 865 HG LEU 120 HG LEU 120 12.207 -9.127 -2.202 866 HD11 LEU 120 1HD1 LEU 120 14.895 -9.608 -2.671 867 HD12 LEU 120 2HD1 LEU 120 14.718 -9.788 -0.926 868 HD13 LEU 120 3HD1 LEU 120 14.209 -8.295 -1.714 869 HD21 LEU 120 1HD2 LEU 120 12.343 -11.777 -2.987 870 HD22 LEU 120 2HD2 LEU 120 13.871 -11.090 -3.539 871 HD23 LEU 120 3HD2 LEU 120 12.344 -10.367 -4.047 872 H SER 121 H SER 121 11.554 -10.468 1.878 873 HA SER 121 HA SER 121 11.524 -12.949 2.990 874 HB2 SER 121 1HB SER 121 11.967 -10.597 4.053 875 HB3 SER 121 2HB SER 121 10.272 -10.698 4.530 876 HG SER 121 HG SER 121 10.721 -12.311 5.867 877 H ALA 122 H ALA 122 8.732 -10.907 2.318 878 HA ALA 122 HA ALA 122 6.871 -12.740 3.539 879 HB1 ALA 122 1HB ALA 122 5.905 -10.713 3.698 880 HB2 ALA 122 2HB ALA 122 6.736 -10.087 2.273 881 HB3 ALA 122 3HB ALA 122 5.301 -11.095 2.086 882 H LEU 123 H LEU 123 7.717 -11.771 0.228 883 HA LEU 123 HA LEU 123 5.931 -13.088 -1.300 884 HB2 LEU 123 1HB LEU 123 8.040 -11.815 -1.989 885 HB3 LEU 123 2HB LEU 123 8.867 -13.366 -1.862 886 HG LEU 123 HG LEU 123 8.285 -12.838 -4.174 887 HD11 LEU 123 1HD1 LEU 123 8.353 -15.182 -3.399 888 HD12 LEU 123 2HD1 LEU 123 7.237 -14.933 -4.741 889 HD13 LEU 123 3HD1 LEU 123 6.617 -15.107 -3.100 890 HD21 LEU 123 1HD2 LEU 123 6.252 -12.180 -4.878 891 HD22 LEU 123 2HD2 LEU 123 6.036 -11.708 -3.192 892 HD23 LEU 123 3HD2 LEU 123 5.401 -13.252 -3.764 893 H ARG 124 H ARG 124 8.928 -14.634 -0.127 894 HA ARG 124 HA ARG 124 8.305 -17.221 -0.976 895 HB2 ARG 124 1HB ARG 124 10.136 -17.944 0.284 896 HB3 ARG 124 2HB ARG 124 10.530 -16.272 -0.088 897 HG2 ARG 124 1HG ARG 124 9.870 -15.573 2.118 898 HG3 ARG 124 2HG ARG 124 9.308 -17.202 2.500 899 HD2 ARG 124 1HD ARG 124 11.399 -17.147 3.493 900 HD3 ARG 124 2HD ARG 124 11.733 -17.908 1.938 901 HE ARG 124 HE ARG 124 12.064 -15.044 1.962 902 HH11 ARG 124 2HH1 ARG 124 13.584 -18.132 2.483 903 HH12 ARG 124 1HH1 ARG 124 15.189 -17.533 2.223 904 HH21 ARG 124 2HH2 ARG 124 14.171 -14.243 1.617 905 HH22 ARG 124 1HH2 ARG 124 15.522 -15.320 1.731 906 H SER 125 H SER 125 7.515 -15.521 2.006 907 HA SER 125 HA SER 125 6.048 -17.880 2.958 908 HB2 SER 125 1HB SER 125 7.237 -15.492 4.318 909 HB3 SER 125 2HB SER 125 5.879 -16.323 5.077 910 HG SER 125 HG SER 125 7.573 -17.415 5.840 911 H GLY 126 H GLY 126 4.906 -16.543 0.822 912 HA2 GLY 126 1HA GLY 126 2.986 -14.607 1.727 913 HA3 GLY 126 2HA GLY 126 3.039 -15.361 0.141 914 HA PRO 127 HA PRO 127 -0.564 -17.618 1.250 915 HB2 PRO 127 1HB PRO 127 -0.371 -19.653 -0.537 916 HB3 PRO 127 2HB PRO 127 -0.830 -18.009 -0.999 917 HG2 PRO 127 1HG PRO 127 1.832 -19.362 -1.212 918 HG3 PRO 127 2HG PRO 127 1.008 -18.322 -2.388 919 HD2 PRO 127 1HD PRO 127 2.991 -17.418 -0.780 920 HD3 PRO 127 2HD PRO 127 1.648 -16.386 -1.312 921 H SER 128 H SER 128 -1.217 -19.995 1.657 922 HA SER 128 HA SER 128 -0.040 -20.977 3.894 923 HB2 SER 128 1HB SER 128 -1.666 -22.252 1.743 924 HB3 SER 128 2HB SER 128 -0.910 -23.305 2.938 925 HG SER 128 HG SER 128 -2.984 -22.662 3.611 926 H SER 129 H SER 129 1.579 -22.385 4.440 927 HA SER 129 HA SER 129 3.358 -23.247 2.254 928 HB2 SER 129 1HB SER 129 4.477 -21.466 3.401 929 HB3 SER 129 2HB SER 129 4.078 -22.148 4.977 930 HG SER 129 HG SER 129 5.420 -23.939 4.428 931 H GLY 130 H GLY 130 4.486 -25.217 2.550 932 HA2 GLY 130 1HA GLY 130 4.316 -26.863 4.812 933 HA3 GLY 130 2HA GLY 130 2.978 -27.270 3.748 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -18.514 10.927 -0.892 2 HA2 GLY 1 1HA GLY 1 -17.878 8.490 0.137 3 HA3 GLY 1 2HA GLY 1 -19.477 8.870 -0.484 4 H SER 2 H SER 2 -20.201 7.416 -1.870 5 HA SER 2 HA SER 2 -18.685 5.366 -2.986 6 HB2 SER 2 1HB SER 2 -20.653 5.011 -4.496 7 HB3 SER 2 2HB SER 2 -21.083 5.149 -2.791 8 HG SER 2 HG SER 2 -21.835 6.693 -4.879 9 H SER 3 H SER 3 -19.759 8.423 -4.433 10 HA SER 3 HA SER 3 -18.402 7.878 -6.918 11 HB2 SER 3 1HB SER 3 -20.552 9.297 -6.541 12 HB3 SER 3 2HB SER 3 -19.428 10.587 -6.116 13 HG SER 3 HG SER 3 -18.877 9.202 -8.454 14 H GLY 4 H GLY 4 -17.043 9.882 -7.770 15 HA2 GLY 4 1HA GLY 4 -15.053 10.516 -5.678 16 HA3 GLY 4 2HA GLY 4 -14.591 10.043 -7.306 17 H SER 5 H SER 5 -13.397 12.177 -6.917 18 HA SER 5 HA SER 5 -15.098 14.373 -7.899 19 HB2 SER 5 1HB SER 5 -13.572 15.939 -6.701 20 HB3 SER 5 2HB SER 5 -14.455 14.869 -5.613 21 HG SER 5 HG SER 5 -12.642 13.948 -5.039 22 H SER 6 H SER 6 -13.777 16.102 -9.021 23 HA SER 6 HA SER 6 -11.670 14.828 -10.643 24 HB2 SER 6 1HB SER 6 -13.778 16.841 -11.450 25 HB3 SER 6 2HB SER 6 -12.400 16.415 -12.464 26 HG SER 6 HG SER 6 -14.432 14.667 -11.529 27 H GLY 7 H GLY 7 -9.796 15.932 -11.011 28 HA2 GLY 7 1HA GLY 7 -9.075 18.473 -11.050 29 HA3 GLY 7 2HA GLY 7 -9.359 18.280 -9.327 30 H ALA 8 H ALA 8 -8.219 16.269 -8.384 31 HA ALA 8 HA ALA 8 -5.530 16.613 -8.330 32 HB1 ALA 8 1HB ALA 8 -6.970 15.084 -6.891 33 HB2 ALA 8 2HB ALA 8 -6.707 13.857 -8.131 34 HB3 ALA 8 3HB ALA 8 -5.334 14.535 -7.255 35 H VAL 9 H VAL 9 -3.769 15.139 -9.099 36 HA VAL 9 HA VAL 9 -4.259 13.969 -11.734 37 HB VAL 9 HB VAL 9 -2.096 16.020 -11.235 38 HG11 VAL 9 1HG1 VAL 9 -2.004 15.726 -13.846 39 HG12 VAL 9 2HG1 VAL 9 -1.118 14.636 -12.779 40 HG13 VAL 9 3HG1 VAL 9 -2.661 14.133 -13.469 41 HG21 VAL 9 1HG2 VAL 9 -4.239 17.100 -11.444 42 HG22 VAL 9 2HG2 VAL 9 -3.323 17.352 -12.929 43 HG23 VAL 9 3HG2 VAL 9 -4.618 16.156 -12.885 44 H SER 10 H SER 10 -3.633 11.933 -11.395 45 HA SER 10 HA SER 10 -2.484 10.154 -10.470 46 HB2 SER 10 1HB SER 10 -0.337 11.779 -11.850 47 HB3 SER 10 2HB SER 10 -0.125 10.108 -11.326 48 HG SER 10 HG SER 10 -1.949 11.105 -13.253 49 H GLY 11 H GLY 11 -2.905 12.105 -8.492 50 HA2 GLY 11 1HA GLY 11 -1.998 13.015 -6.550 51 HA3 GLY 11 2HA GLY 11 -1.491 11.343 -6.360 52 H LEU 12 H LEU 12 0.600 11.038 -6.020 53 HA LEU 12 HA LEU 12 2.464 13.172 -6.804 54 HB2 LEU 12 1HB LEU 12 2.808 11.006 -4.737 55 HB3 LEU 12 2HB LEU 12 3.952 12.301 -5.082 56 HG LEU 12 HG LEU 12 1.164 12.849 -4.099 57 HD11 LEU 12 1HD1 LEU 12 2.932 11.387 -2.647 58 HD12 LEU 12 2HD1 LEU 12 1.703 12.449 -1.961 59 HD13 LEU 12 3HD1 LEU 12 3.356 13.029 -2.163 60 HD21 LEU 12 1HD2 LEU 12 1.775 14.991 -4.119 61 HD22 LEU 12 2HD2 LEU 12 3.157 14.487 -5.093 62 HD23 LEU 12 3HD2 LEU 12 3.319 14.638 -3.342 63 H TYR 13 H TYR 13 1.903 9.702 -6.911 64 HA TYR 13 HA TYR 13 4.358 9.218 -8.376 65 HB2 TYR 13 1HB TYR 13 2.095 7.320 -7.722 66 HB3 TYR 13 2HB TYR 13 3.678 6.872 -8.347 67 HD1 TYR 13 2HD TYR 13 2.037 8.515 -5.436 68 HD2 TYR 13 1HD TYR 13 5.412 6.361 -6.875 69 HE1 TYR 13 2HE TYR 13 2.882 8.314 -3.135 70 HE2 TYR 13 1HE TYR 13 6.266 6.153 -4.578 71 HH TYR 13 HH TYR 13 5.569 6.274 -2.337 72 H SER 14 H SER 14 4.226 7.907 -10.421 73 HA SER 14 HA SER 14 1.920 8.666 -12.076 74 HB2 SER 14 1HB SER 14 4.838 9.079 -12.744 75 HB3 SER 14 2HB SER 14 3.556 9.126 -13.953 76 HG SER 14 HG SER 14 3.178 10.689 -11.691 77 H SER 15 H SER 15 1.331 7.206 -13.639 78 HA SER 15 HA SER 15 1.862 4.515 -13.241 79 HB2 SER 15 1HB SER 15 0.799 4.147 -15.446 80 HB3 SER 15 2HB SER 15 -0.107 5.295 -14.461 81 HG SER 15 HG SER 15 1.839 6.294 -16.200 82 H SER 16 H SER 16 3.671 6.875 -14.988 83 HA SER 16 HA SER 16 5.069 5.238 -16.783 84 HB2 SER 16 1HB SER 16 6.787 7.046 -16.762 85 HB3 SER 16 2HB SER 16 5.147 7.654 -16.983 86 HG SER 16 HG SER 16 5.318 7.797 -14.502 87 H ASP 17 H ASP 17 5.674 6.040 -13.402 88 HA ASP 17 HA ASP 17 8.223 4.839 -13.210 89 HB2 ASP 17 1HB ASP 17 6.308 4.981 -10.899 90 HB3 ASP 17 2HB ASP 17 8.059 5.177 -10.898 91 H ASP 18 H ASP 18 8.291 3.040 -11.253 92 HA ASP 18 HA ASP 18 7.241 0.674 -12.531 93 HB2 ASP 18 1HB ASP 18 8.904 1.009 -10.025 94 HB3 ASP 18 2HB ASP 18 8.503 -0.536 -10.770 95 H VAL 19 H VAL 19 6.299 2.763 -9.993 96 HA VAL 19 HA VAL 19 4.798 0.887 -8.452 97 HB VAL 19 HB VAL 19 4.551 3.895 -8.598 98 HG11 VAL 19 1HG1 VAL 19 3.745 2.516 -6.145 99 HG12 VAL 19 2HG1 VAL 19 2.961 3.834 -7.018 100 HG13 VAL 19 3HG1 VAL 19 2.725 2.165 -7.540 101 HG21 VAL 19 1HG2 VAL 19 5.793 2.510 -6.292 102 HG22 VAL 19 2HG2 VAL 19 6.731 2.594 -7.783 103 HG23 VAL 19 3HG2 VAL 19 6.169 4.076 -7.010 104 H ILE 20 H ILE 20 2.756 0.195 -8.687 105 HA ILE 20 HA ILE 20 1.325 0.972 -11.098 106 HB ILE 20 HB ILE 20 0.807 -1.199 -9.067 107 HG12 ILE 20 1HG1 ILE 20 1.458 -1.505 -11.992 108 HG13 ILE 20 2HG1 ILE 20 2.723 -1.360 -10.777 109 HG21 ILE 20 1HG2 ILE 20 -1.024 -1.947 -10.415 110 HG22 ILE 20 2HG2 ILE 20 -1.289 -0.249 -10.022 111 HG23 ILE 20 3HG2 ILE 20 -0.707 -0.702 -11.624 112 HD11 ILE 20 1HD1 ILE 20 2.579 -3.608 -10.837 113 HD12 ILE 20 2HD1 ILE 20 1.293 -3.316 -9.666 114 HD13 ILE 20 3HD1 ILE 20 0.895 -3.599 -11.360 115 H GLU 21 H GLU 21 -0.204 2.471 -11.095 116 HA GLU 21 HA GLU 21 -1.112 3.738 -8.733 117 HB2 GLU 21 1HB GLU 21 -0.972 4.659 -11.148 118 HB3 GLU 21 2HB GLU 21 -2.547 3.909 -11.368 119 HG2 GLU 21 1HG GLU 21 -3.149 6.032 -10.781 120 HG3 GLU 21 2HG GLU 21 -3.164 5.234 -9.210 121 H LEU 22 H LEU 22 -2.188 2.451 -7.320 122 HA LEU 22 HA LEU 22 -4.281 0.668 -8.218 123 HB2 LEU 22 1HB LEU 22 -3.166 1.352 -5.511 124 HB3 LEU 22 2HB LEU 22 -4.548 0.281 -5.727 125 HG LEU 22 HG LEU 22 -1.797 -0.215 -6.862 126 HD11 LEU 22 1HD1 LEU 22 -2.231 -0.275 -4.272 127 HD12 LEU 22 2HD1 LEU 22 -1.288 -1.536 -5.066 128 HD13 LEU 22 3HD1 LEU 22 -2.979 -1.825 -4.657 129 HD21 LEU 22 1HD2 LEU 22 -3.681 -1.220 -8.112 130 HD22 LEU 22 2HD2 LEU 22 -4.186 -2.042 -6.635 131 HD23 LEU 22 3HD2 LEU 22 -2.626 -2.421 -7.367 132 H THR 23 H THR 23 -6.435 0.985 -8.077 133 HA THR 23 HA THR 23 -7.410 3.391 -6.702 134 HB THR 23 HB THR 23 -8.488 4.270 -8.502 135 HG1 THR 23 1HG THR 23 -9.565 3.072 -9.974 136 HG21 THR 23 1HG2 THR 23 -6.936 4.532 -10.119 137 HG22 THR 23 2HG2 THR 23 -6.803 2.798 -10.413 138 HG23 THR 23 3HG2 THR 23 -5.937 3.533 -9.065 139 HA PRO 24 HA PRO 24 -10.681 0.905 -5.160 140 HB2 PRO 24 1HB PRO 24 -12.811 2.585 -5.260 141 HB3 PRO 24 2HB PRO 24 -11.489 2.777 -4.102 142 HG2 PRO 24 1HG PRO 24 -11.959 4.199 -6.695 143 HG3 PRO 24 2HG PRO 24 -11.429 4.859 -5.136 144 HD2 PRO 24 1HD PRO 24 -9.707 4.346 -7.162 145 HD3 PRO 24 2HD PRO 24 -9.245 4.194 -5.455 146 H SER 25 H SER 25 -10.275 1.181 -8.256 147 HA SER 25 HA SER 25 -12.884 0.006 -8.964 148 HB2 SER 25 1HB SER 25 -11.229 2.044 -10.372 149 HB3 SER 25 2HB SER 25 -12.078 0.859 -11.364 150 HG SER 25 HG SER 25 -13.942 1.520 -9.879 151 H ASN 26 H ASN 26 -9.457 -0.258 -8.994 152 HA ASN 26 HA ASN 26 -9.678 -2.808 -10.452 153 HB2 ASN 26 1HB ASN 26 -7.127 -2.235 -10.944 154 HB3 ASN 26 2HB ASN 26 -8.422 -1.653 -11.985 155 HD21 ASN 26 1HD2 ASN 26 -5.826 -0.806 -10.003 156 HD22 ASN 26 2HD2 ASN 26 -6.050 0.907 -10.022 157 H PHE 27 H PHE 27 -8.654 -1.137 -7.660 158 HA PHE 27 HA PHE 27 -6.553 -2.403 -6.583 159 HB2 PHE 27 1HB PHE 27 -8.035 -0.742 -5.421 160 HB3 PHE 27 2HB PHE 27 -9.142 -2.062 -5.060 161 HD1 PHE 27 1HD PHE 27 -7.947 -4.158 -3.923 162 HD2 PHE 27 2HD PHE 27 -6.536 -0.144 -3.799 163 HE1 PHE 27 1HE PHE 27 -6.668 -4.674 -1.885 164 HE2 PHE 27 2HE PHE 27 -5.254 -0.654 -1.762 165 HZ PHE 27 HZ PHE 27 -5.318 -2.922 -0.803 166 H ASN 28 H ASN 28 -9.731 -3.824 -7.056 167 HA ASN 28 HA ASN 28 -9.045 -6.271 -5.690 168 HB2 ASN 28 1HB ASN 28 -11.377 -5.313 -5.799 169 HB3 ASN 28 2HB ASN 28 -11.412 -5.766 -7.500 170 HD21 ASN 28 1HD2 ASN 28 -11.109 -8.043 -8.005 171 HD22 ASN 28 2HD2 ASN 28 -11.694 -9.230 -6.894 172 H ARG 29 H ARG 29 -9.371 -5.174 -9.032 173 HA ARG 29 HA ARG 29 -8.772 -7.776 -10.118 174 HB2 ARG 29 1HB ARG 29 -9.281 -5.057 -11.266 175 HB3 ARG 29 2HB ARG 29 -8.549 -6.299 -12.273 176 HG2 ARG 29 1HG ARG 29 -11.116 -6.751 -10.784 177 HG3 ARG 29 2HG ARG 29 -11.066 -6.045 -12.401 178 HD2 ARG 29 1HD ARG 29 -9.535 -8.169 -12.854 179 HD3 ARG 29 2HD ARG 29 -10.474 -8.813 -11.508 180 HE ARG 29 HE ARG 29 -12.345 -8.847 -12.855 181 HH11 ARG 29 2HH1 ARG 29 -9.761 -7.136 -14.440 182 HH12 ARG 29 1HH1 ARG 29 -10.562 -7.085 -15.975 183 HH21 ARG 29 2HH2 ARG 29 -13.410 -8.786 -14.871 184 HH22 ARG 29 1HH2 ARG 29 -12.637 -8.023 -16.219 185 H GLU 30 H GLU 30 -6.935 -5.417 -8.692 186 HA GLU 30 HA GLU 30 -4.563 -6.039 -10.318 187 HB2 GLU 30 1HB GLU 30 -5.383 -3.673 -8.708 188 HB3 GLU 30 2HB GLU 30 -3.668 -4.051 -8.785 189 HG2 GLU 30 1HG GLU 30 -5.311 -3.845 -11.275 190 HG3 GLU 30 2HG GLU 30 -4.652 -2.409 -10.494 191 H VAL 31 H VAL 31 -5.663 -5.705 -6.957 192 HA VAL 31 HA VAL 31 -3.323 -7.234 -6.066 193 HB VAL 31 HB VAL 31 -5.340 -5.657 -4.463 194 HG11 VAL 31 1HG1 VAL 31 -3.751 -6.034 -2.580 195 HG12 VAL 31 2HG1 VAL 31 -4.570 -7.496 -3.133 196 HG13 VAL 31 3HG1 VAL 31 -2.896 -7.193 -3.598 197 HG21 VAL 31 1HG2 VAL 31 -3.376 -4.631 -5.981 198 HG22 VAL 31 2HG2 VAL 31 -3.907 -3.906 -4.464 199 HG23 VAL 31 3HG2 VAL 31 -2.477 -4.937 -4.494 200 H ILE 32 H ILE 32 -6.762 -7.054 -5.126 201 HA ILE 32 HA ILE 32 -6.971 -9.488 -3.870 202 HB ILE 32 HB ILE 32 -9.114 -8.240 -5.594 203 HG12 ILE 32 1HG1 ILE 32 -8.181 -6.651 -3.951 204 HG13 ILE 32 2HG1 ILE 32 -9.842 -7.089 -3.567 205 HG21 ILE 32 1HG2 ILE 32 -9.540 -10.570 -4.895 206 HG22 ILE 32 2HG2 ILE 32 -9.360 -10.073 -3.214 207 HG23 ILE 32 3HG2 ILE 32 -10.679 -9.425 -4.187 208 HD11 ILE 32 1HD1 ILE 32 -9.043 -8.639 -1.867 209 HD12 ILE 32 2HD1 ILE 32 -7.377 -8.208 -2.255 210 HD13 ILE 32 3HD1 ILE 32 -8.465 -7.000 -1.572 211 H GLN 33 H GLN 33 -7.006 -8.804 -7.310 212 HA GLN 33 HA GLN 33 -7.555 -11.605 -7.931 213 HB2 GLN 33 1HB GLN 33 -7.396 -9.109 -9.609 214 HB3 GLN 33 2HB GLN 33 -7.458 -10.712 -10.331 215 HG2 GLN 33 1HG GLN 33 -9.561 -9.170 -8.939 216 HG3 GLN 33 2HG GLN 33 -9.667 -10.221 -10.351 217 HE21 GLN 33 1HE2 GLN 33 -9.983 -9.977 -6.959 218 HE22 GLN 33 2HE2 GLN 33 -10.451 -11.612 -6.654 219 H SER 34 H SER 34 -5.052 -10.805 -6.664 220 HA SER 34 HA SER 34 -3.212 -11.813 -8.724 221 HB2 SER 34 1HB SER 34 -2.809 -9.404 -8.470 222 HB3 SER 34 2HB SER 34 -2.599 -9.615 -6.732 223 HG SER 34 HG SER 34 -0.580 -9.893 -7.253 224 H ASP 35 H ASP 35 -2.917 -13.844 -8.010 225 HA ASP 35 HA ASP 35 -2.990 -14.750 -5.388 226 HB2 ASP 35 1HB ASP 35 -2.076 -16.782 -6.181 227 HB3 ASP 35 2HB ASP 35 -2.979 -16.121 -7.541 228 H GLY 36 H GLY 36 -0.407 -13.210 -7.155 229 HA2 GLY 36 1HA GLY 36 1.706 -13.945 -5.391 230 HA3 GLY 36 2HA GLY 36 1.742 -12.637 -6.563 231 H LEU 37 H LEU 37 3.039 -11.797 -4.617 232 HA LEU 37 HA LEU 37 1.436 -10.804 -2.423 233 HB2 LEU 37 1HB LEU 37 3.975 -11.563 -2.515 234 HB3 LEU 37 2HB LEU 37 4.213 -9.859 -2.896 235 HG LEU 37 HG LEU 37 2.847 -9.420 -0.748 236 HD11 LEU 37 1HD1 LEU 37 3.286 -12.341 -0.638 237 HD12 LEU 37 2HD1 LEU 37 1.985 -11.360 0.035 238 HD13 LEU 37 3HD1 LEU 37 3.544 -11.437 0.854 239 HD21 LEU 37 1HD2 LEU 37 5.578 -9.719 -1.292 240 HD22 LEU 37 2HD2 LEU 37 5.306 -10.519 0.256 241 HD23 LEU 37 3HD2 LEU 37 4.838 -8.832 0.040 242 H TRP 38 H TRP 38 1.099 -8.609 -1.930 243 HA TRP 38 HA TRP 38 1.654 -6.674 -4.059 244 HB2 TRP 38 1HB TRP 38 -0.996 -7.651 -3.227 245 HB3 TRP 38 2HB TRP 38 -0.850 -5.896 -3.291 246 HD1 TRP 38 HD TRP 38 -0.960 -8.975 -5.517 247 HE1 TRP 38 1HE TRP 38 -1.153 -8.228 -7.972 248 HE3 TRP 38 3HE TRP 38 -0.196 -3.958 -4.900 249 HZ2 TRP 38 2HZ TRP 38 -1.000 -5.829 -9.452 250 HZ3 TRP 38 3HZ TRP 38 -0.235 -2.506 -6.886 251 HH2 TRP 38 HH TRP 38 -0.628 -3.424 -9.114 252 H LEU 39 H LEU 39 2.440 -4.834 -3.270 253 HA LEU 39 HA LEU 39 2.093 -4.297 -0.398 254 HB2 LEU 39 1HB LEU 39 4.319 -3.868 -2.312 255 HB3 LEU 39 2HB LEU 39 4.115 -2.688 -1.019 256 HG LEU 39 HG LEU 39 4.270 -5.604 -0.370 257 HD11 LEU 39 1HD1 LEU 39 6.283 -4.266 -1.779 258 HD12 LEU 39 2HD1 LEU 39 6.407 -5.805 -0.927 259 HD13 LEU 39 3HD1 LEU 39 6.815 -4.303 -0.098 260 HD21 LEU 39 1HD2 LEU 39 4.463 -3.019 1.030 261 HD22 LEU 39 2HD2 LEU 39 5.603 -4.261 1.549 262 HD23 LEU 39 3HD2 LEU 39 3.868 -4.579 1.597 263 H VAL 40 H VAL 40 0.355 -2.991 -0.231 264 HA VAL 40 HA VAL 40 0.126 -0.699 -2.047 265 HB VAL 40 HB VAL 40 -1.907 -1.660 -0.032 266 HG11 VAL 40 1HG1 VAL 40 -3.282 -0.396 -1.988 267 HG12 VAL 40 2HG1 VAL 40 -2.722 0.385 -0.508 268 HG13 VAL 40 3HG1 VAL 40 -1.781 0.529 -1.993 269 HG21 VAL 40 1HG2 VAL 40 -3.062 -2.707 -1.925 270 HG22 VAL 40 2HG2 VAL 40 -1.715 -2.280 -2.980 271 HG23 VAL 40 3HG2 VAL 40 -1.472 -3.422 -1.659 272 H GLU 41 H GLU 41 0.583 1.301 -1.393 273 HA GLU 41 HA GLU 41 0.915 1.773 1.497 274 HB2 GLU 41 1HB GLU 41 3.058 1.964 0.526 275 HB3 GLU 41 2HB GLU 41 2.439 2.837 -0.869 276 HG2 GLU 41 1HG GLU 41 2.120 4.073 1.810 277 HG3 GLU 41 2HG GLU 41 3.723 4.058 1.078 278 H PHE 42 H PHE 42 -0.187 3.400 2.418 279 HA PHE 42 HA PHE 42 -1.925 5.000 0.677 280 HB2 PHE 42 1HB PHE 42 -2.113 4.435 3.644 281 HB3 PHE 42 2HB PHE 42 -3.253 5.414 2.726 282 HD1 PHE 42 1HD PHE 42 -1.993 2.015 3.300 283 HD2 PHE 42 2HD PHE 42 -4.901 4.409 1.320 284 HE1 PHE 42 1HE PHE 42 -3.287 -0.008 2.763 285 HE2 PHE 42 2HE PHE 42 -6.201 2.391 0.780 286 HZ PHE 42 HZ PHE 42 -5.395 0.179 1.503 287 H TYR 43 H TYR 43 -0.802 6.783 0.103 288 HA TYR 43 HA TYR 43 0.485 8.343 2.242 289 HB2 TYR 43 1HB TYR 43 1.950 9.265 0.629 290 HB3 TYR 43 2HB TYR 43 1.869 7.547 0.254 291 HD1 TYR 43 1HD TYR 43 0.662 10.889 -0.778 292 HD2 TYR 43 2HD TYR 43 1.066 6.790 -1.844 293 HE1 TYR 43 1HE TYR 43 0.010 11.432 -3.086 294 HE2 TYR 43 2HE TYR 43 0.416 7.321 -4.156 295 HH TYR 43 HH TYR 43 0.114 9.014 -5.641 296 H ALA 44 H ALA 44 0.583 10.801 1.441 297 HA ALA 44 HA ALA 44 -2.059 11.609 0.458 298 HB1 ALA 44 1HB ALA 44 -2.005 13.411 2.291 299 HB2 ALA 44 2HB ALA 44 -2.465 11.769 2.746 300 HB3 ALA 44 3HB ALA 44 -0.838 12.357 3.091 301 HA PRO 45 HA PRO 45 0.650 14.226 -1.925 302 HB2 PRO 45 1HB PRO 45 -1.320 15.438 -3.347 303 HB3 PRO 45 2HB PRO 45 -0.752 13.802 -3.696 304 HG2 PRO 45 1HG PRO 45 -3.168 14.681 -2.163 305 HG3 PRO 45 2HG PRO 45 -3.014 13.382 -3.360 306 HD2 PRO 45 1HD PRO 45 -3.032 12.911 -0.694 307 HD3 PRO 45 2HD PRO 45 -2.108 11.912 -1.834 308 H TRP 46 H TRP 46 -1.149 15.018 0.663 309 HA TRP 46 HA TRP 46 -0.667 17.907 0.327 310 HB2 TRP 46 1HB TRP 46 -2.511 18.247 1.981 311 HB3 TRP 46 2HB TRP 46 -3.043 17.520 0.467 312 HD1 TRP 46 HD TRP 46 -4.469 15.399 0.688 313 HE1 TRP 46 1HE TRP 46 -5.010 13.740 2.580 314 HE3 TRP 46 3HE TRP 46 -1.267 17.167 4.260 315 HZ2 TRP 46 2HZ TRP 46 -4.188 13.246 5.235 316 HZ3 TRP 46 3HZ TRP 46 -1.206 16.045 6.449 317 HH2 TRP 46 HH TRP 46 -2.637 14.125 6.924 318 H CYS 47 H CYS 47 0.112 15.103 2.047 319 HA CYS 47 HA CYS 47 0.905 16.480 4.477 320 HB2 CYS 47 1HB CYS 47 0.008 13.983 4.108 321 HB3 CYS 47 2HB CYS 47 1.734 13.670 3.971 322 HG CYS 47 HG CYS 47 -0.099 14.252 6.673 323 H GLY 48 H GLY 48 3.191 15.745 5.318 324 HA2 GLY 48 1HA GLY 48 5.083 16.610 3.248 325 HA3 GLY 48 2HA GLY 48 5.355 16.669 4.983 326 H HIS 49 H HIS 49 5.450 14.475 6.070 327 HA HIS 49 HA HIS 49 7.587 13.016 5.209 328 HB2 HIS 49 1HB HIS 49 6.499 11.088 6.572 329 HB3 HIS 49 2HB HIS 49 6.933 12.580 7.402 330 HD1 HIS 49 1HD HIS 49 5.181 13.222 9.006 331 HD2 HIS 49 2HD HIS 49 3.573 11.431 5.620 332 HE1 HIS 49 1HE HIS 49 2.692 13.218 9.365 333 HE2 HIS 49 2HE HIS 49 1.746 12.053 7.342 334 H CYS 50 H CYS 50 4.268 12.727 4.178 335 HA CYS 50 HA CYS 50 4.477 10.198 2.922 336 HB2 CYS 50 1HB CYS 50 2.579 12.514 2.579 337 HB3 CYS 50 2HB CYS 50 2.442 11.048 1.616 338 HG CYS 50 HG CYS 50 0.571 10.546 3.443 339 H GLN 51 H GLN 51 4.585 13.501 1.590 340 HA GLN 51 HA GLN 51 5.110 12.776 -1.060 341 HB2 GLN 51 1HB GLN 51 5.965 15.284 0.396 342 HB3 GLN 51 2HB GLN 51 5.905 15.082 -1.350 343 HG2 GLN 51 1HG GLN 51 3.515 14.845 -1.293 344 HG3 GLN 51 2HG GLN 51 3.519 14.874 0.470 345 HE21 GLN 51 1HE2 GLN 51 2.084 16.642 0.415 346 HE22 GLN 51 2HE2 GLN 51 2.643 18.237 0.056 347 H ARG 52 H ARG 52 7.102 12.636 1.702 348 HA ARG 52 HA ARG 52 9.591 12.736 0.202 349 HB2 ARG 52 1HB ARG 52 9.279 11.998 3.107 350 HB3 ARG 52 2HB ARG 52 10.702 12.637 2.294 351 HG2 ARG 52 1HG ARG 52 8.237 14.296 2.336 352 HG3 ARG 52 2HG ARG 52 9.189 14.153 3.816 353 HD2 ARG 52 1HD ARG 52 10.602 14.765 1.270 354 HD3 ARG 52 2HD ARG 52 9.668 16.047 2.039 355 HE ARG 52 HE ARG 52 12.151 14.918 2.954 356 HH11 ARG 52 2HH1 ARG 52 9.266 16.637 3.872 357 HH12 ARG 52 1HH1 ARG 52 9.983 17.355 5.276 358 HH21 ARG 52 2HH2 ARG 52 13.107 15.857 4.800 359 HH22 ARG 52 1HH2 ARG 52 12.168 16.912 5.802 360 H LEU 53 H LEU 53 7.252 10.468 0.766 361 HA LEU 53 HA LEU 53 9.128 8.217 0.865 362 HB2 LEU 53 1HB LEU 53 7.188 8.329 2.446 363 HB3 LEU 53 2HB LEU 53 6.123 8.149 1.054 364 HG LEU 53 HG LEU 53 7.124 5.940 0.608 365 HD11 LEU 53 1HD1 LEU 53 9.084 5.413 1.496 366 HD12 LEU 53 2HD1 LEU 53 8.323 5.368 3.087 367 HD13 LEU 53 3HD1 LEU 53 9.056 6.862 2.502 368 HD21 LEU 53 1HD2 LEU 53 6.274 4.886 2.820 369 HD22 LEU 53 2HD2 LEU 53 5.143 5.764 1.789 370 HD23 LEU 53 3HD2 LEU 53 5.810 6.539 3.227 371 H THR 54 H THR 54 8.000 10.089 -1.448 372 HA THR 54 HA THR 54 6.783 8.314 -3.293 373 HB THR 54 HB THR 54 8.358 10.584 -4.368 374 HG1 THR 54 1HG THR 54 7.590 11.939 -2.944 375 HG21 THR 54 1HG2 THR 54 6.912 10.238 -6.026 376 HG22 THR 54 2HG2 THR 54 5.596 10.727 -4.958 377 HG23 THR 54 3HG2 THR 54 6.063 9.030 -5.062 378 HA PRO 55 HA PRO 55 11.231 8.028 -5.201 379 HB2 PRO 55 1HB PRO 55 13.287 8.791 -3.600 380 HB3 PRO 55 2HB PRO 55 12.459 9.903 -4.697 381 HG2 PRO 55 1HG PRO 55 12.084 9.517 -1.752 382 HG3 PRO 55 2HG PRO 55 12.163 11.025 -2.682 383 HD2 PRO 55 1HD PRO 55 9.821 9.940 -1.862 384 HD3 PRO 55 2HD PRO 55 9.969 10.862 -3.372 385 H GLU 56 H GLU 56 10.815 7.488 -1.746 386 HA GLU 56 HA GLU 56 12.615 5.269 -1.613 387 HB2 GLU 56 1HB GLU 56 10.447 6.206 0.272 388 HB3 GLU 56 2HB GLU 56 11.561 4.892 0.624 389 HG2 GLU 56 1HG GLU 56 13.424 6.359 0.637 390 HG3 GLU 56 2HG GLU 56 12.464 7.684 -0.017 391 H TRP 57 H TRP 57 9.107 5.636 -1.887 392 HA TRP 57 HA TRP 57 8.532 2.856 -1.754 393 HB2 TRP 57 1HB TRP 57 6.934 4.830 -1.362 394 HB3 TRP 57 2HB TRP 57 6.794 4.906 -3.116 395 HD1 TRP 57 HD TRP 57 4.586 3.825 -3.798 396 HE1 TRP 57 1HE TRP 57 3.270 1.718 -3.124 397 HE3 TRP 57 3HE TRP 57 7.638 2.121 -0.068 398 HZ2 TRP 57 2HZ TRP 57 3.496 -0.388 -1.258 399 HZ3 TRP 57 3HZ TRP 57 7.016 0.053 1.112 400 HH2 TRP 57 HH TRP 57 4.988 -1.174 0.528 401 H LYS 58 H LYS 58 8.910 5.139 -4.443 402 HA LYS 58 HA LYS 58 8.269 3.417 -6.538 403 HB2 LYS 58 1HB LYS 58 9.975 5.866 -6.306 404 HB3 LYS 58 2HB LYS 58 9.989 4.949 -7.806 405 HG2 LYS 58 1HG LYS 58 7.541 5.208 -7.952 406 HG3 LYS 58 2HG LYS 58 7.586 6.204 -6.495 407 HD2 LYS 58 1HD LYS 58 9.187 7.719 -7.710 408 HD3 LYS 58 2HD LYS 58 8.840 6.793 -9.172 409 HE2 LYS 58 1HE LYS 58 6.421 7.323 -8.835 410 HE3 LYS 58 2HE LYS 58 6.895 8.391 -7.514 411 HZ1 LYS 58 1HZ LYS 58 8.434 9.006 -9.780 412 HZ2 LYS 58 2HZ LYS 58 7.309 9.980 -8.977 413 HZ3 LYS 58 3HZ LYS 58 6.806 8.971 -10.238 414 H LYS 59 H LYS 59 11.496 4.193 -5.232 415 HA LYS 59 HA LYS 59 13.109 2.648 -6.764 416 HB2 LYS 59 1HB LYS 59 13.156 3.384 -3.881 417 HB3 LYS 59 2HB LYS 59 14.283 2.145 -4.418 418 HG2 LYS 59 1HG LYS 59 15.114 3.723 -6.143 419 HG3 LYS 59 2HG LYS 59 14.067 4.965 -5.450 420 HD2 LYS 59 1HD LYS 59 15.981 3.494 -3.688 421 HD3 LYS 59 2HD LYS 59 16.573 4.796 -4.723 422 HE2 LYS 59 1HE LYS 59 14.933 6.321 -3.727 423 HE3 LYS 59 2HE LYS 59 14.355 5.018 -2.689 424 HZ1 LYS 59 1HZ LYS 59 16.097 6.710 -1.812 425 HZ2 LYS 59 2HZ LYS 59 17.204 5.735 -2.640 426 HZ3 LYS 59 3HZ LYS 59 16.244 5.071 -1.416 427 H ALA 60 H ALA 60 11.372 1.480 -3.880 428 HA ALA 60 HA ALA 60 12.172 -1.200 -4.084 429 HB1 ALA 60 1HB ALA 60 10.505 -1.690 -2.480 430 HB2 ALA 60 2HB ALA 60 11.089 -0.069 -2.104 431 HB3 ALA 60 3HB ALA 60 9.549 -0.280 -2.936 432 H ALA 61 H ALA 61 9.386 0.512 -5.432 433 HA ALA 61 HA ALA 61 8.006 -1.699 -6.452 434 HB1 ALA 61 1HB ALA 61 6.639 0.071 -6.647 435 HB2 ALA 61 2HB ALA 61 7.971 1.206 -6.872 436 HB3 ALA 61 3HB ALA 61 7.387 0.251 -8.234 437 H THR 62 H THR 62 10.788 0.033 -7.646 438 HA THR 62 HA THR 62 10.702 -0.937 -10.314 439 HB THR 62 HB THR 62 13.125 -0.006 -8.763 440 HG1 THR 62 1HG THR 62 11.585 1.577 -10.535 441 HG21 THR 62 1HG2 THR 62 14.162 0.369 -10.859 442 HG22 THR 62 2HG2 THR 62 12.656 0.100 -11.736 443 HG23 THR 62 3HG2 THR 62 13.470 -1.250 -10.947 444 H ALA 63 H ALA 63 12.441 -1.993 -7.404 445 HA ALA 63 HA ALA 63 13.719 -4.191 -8.716 446 HB1 ALA 63 1HB ALA 63 13.582 -3.128 -5.962 447 HB2 ALA 63 2HB ALA 63 13.947 -4.846 -6.130 448 HB3 ALA 63 3HB ALA 63 14.974 -3.645 -6.914 449 H LEU 64 H LEU 64 10.912 -3.848 -6.576 450 HA LEU 64 HA LEU 64 10.318 -6.683 -6.769 451 HB2 LEU 64 1HB LEU 64 8.661 -4.531 -5.475 452 HB3 LEU 64 2HB LEU 64 8.568 -6.269 -5.202 453 HG LEU 64 HG LEU 64 11.003 -4.654 -4.487 454 HD11 LEU 64 1HD1 LEU 64 10.016 -4.898 -2.121 455 HD12 LEU 64 2HD1 LEU 64 8.472 -5.096 -2.949 456 HD13 LEU 64 3HD1 LEU 64 9.403 -3.614 -3.164 457 HD21 LEU 64 1HD2 LEU 64 9.964 -7.368 -3.688 458 HD22 LEU 64 2HD2 LEU 64 11.337 -6.566 -2.924 459 HD23 LEU 64 3HD2 LEU 64 11.411 -7.009 -4.630 460 H LYS 65 H LYS 65 10.062 -4.445 -8.959 461 HA LYS 65 HA LYS 65 7.419 -4.146 -9.721 462 HB2 LYS 65 1HB LYS 65 8.950 -2.884 -10.946 463 HB3 LYS 65 2HB LYS 65 9.992 -4.266 -11.257 464 HG2 LYS 65 1HG LYS 65 8.413 -5.157 -12.845 465 HG3 LYS 65 2HG LYS 65 7.263 -3.872 -12.468 466 HD2 LYS 65 1HD LYS 65 10.015 -3.177 -13.408 467 HD3 LYS 65 2HD LYS 65 8.789 -3.680 -14.575 468 HE2 LYS 65 1HE LYS 65 8.268 -1.514 -12.562 469 HE3 LYS 65 2HE LYS 65 9.041 -1.175 -14.109 470 HZ1 LYS 65 1HZ LYS 65 7.066 -1.166 -15.075 471 HZ2 LYS 65 2HZ LYS 65 6.321 -1.419 -13.578 472 HZ3 LYS 65 3HZ LYS 65 6.746 -2.740 -14.545 473 H ASP 66 H ASP 66 9.658 -6.787 -10.495 474 HA ASP 66 HA ASP 66 7.464 -8.276 -11.737 475 HB2 ASP 66 1HB ASP 66 10.452 -8.527 -11.794 476 HB3 ASP 66 2HB ASP 66 9.447 -9.912 -12.211 477 H VAL 67 H VAL 67 9.326 -8.118 -8.858 478 HA VAL 67 HA VAL 67 8.803 -10.839 -8.037 479 HB VAL 67 HB VAL 67 9.702 -8.694 -6.149 480 HG11 VAL 67 1HG1 VAL 67 11.073 -10.590 -5.281 481 HG12 VAL 67 2HG1 VAL 67 9.331 -10.854 -5.188 482 HG13 VAL 67 3HG1 VAL 67 10.276 -11.636 -6.456 483 HG21 VAL 67 1HG2 VAL 67 11.024 -9.418 -8.607 484 HG22 VAL 67 2HG2 VAL 67 11.450 -8.179 -7.427 485 HG23 VAL 67 3HG2 VAL 67 12.016 -9.835 -7.210 486 H VAL 68 H VAL 68 8.074 -7.770 -6.379 487 HA VAL 68 HA VAL 68 5.451 -8.902 -5.645 488 HB VAL 68 HB VAL 68 7.169 -7.024 -4.015 489 HG11 VAL 68 1HG1 VAL 68 5.321 -7.734 -2.282 490 HG12 VAL 68 2HG1 VAL 68 5.058 -6.387 -3.390 491 HG13 VAL 68 3HG1 VAL 68 4.358 -7.968 -3.740 492 HG21 VAL 68 1HG2 VAL 68 8.134 -9.149 -3.812 493 HG22 VAL 68 2HG2 VAL 68 7.081 -9.011 -2.404 494 HG23 VAL 68 3HG2 VAL 68 6.567 -9.958 -3.800 495 H LYS 69 H LYS 69 3.841 -7.878 -6.614 496 HA LYS 69 HA LYS 69 4.045 -5.506 -8.054 497 HB2 LYS 69 1HB LYS 69 1.654 -6.899 -6.852 498 HB3 LYS 69 2HB LYS 69 1.508 -5.476 -7.876 499 HG2 LYS 69 1HG LYS 69 3.078 -7.778 -8.900 500 HG3 LYS 69 2HG LYS 69 1.319 -7.917 -8.850 501 HD2 LYS 69 1HD LYS 69 1.037 -6.049 -10.275 502 HD3 LYS 69 2HD LYS 69 2.726 -5.567 -10.096 503 HE2 LYS 69 1HE LYS 69 2.346 -6.608 -12.264 504 HE3 LYS 69 2HE LYS 69 3.427 -7.591 -11.278 505 HZ1 LYS 69 1HZ LYS 69 2.061 -9.280 -11.627 506 HZ2 LYS 69 2HZ LYS 69 0.941 -8.294 -12.425 507 HZ3 LYS 69 3HZ LYS 69 0.861 -8.476 -10.745 508 H VAL 70 H VAL 70 4.789 -3.695 -7.103 509 HA VAL 70 HA VAL 70 3.661 -2.865 -4.530 510 HB VAL 70 HB VAL 70 5.995 -1.730 -6.079 511 HG11 VAL 70 1HG1 VAL 70 5.344 -1.127 -3.217 512 HG12 VAL 70 2HG1 VAL 70 6.378 -0.237 -4.336 513 HG13 VAL 70 3HG1 VAL 70 4.625 -0.190 -4.527 514 HG21 VAL 70 1HG2 VAL 70 7.131 -2.677 -3.889 515 HG22 VAL 70 2HG2 VAL 70 5.747 -3.770 -3.928 516 HG23 VAL 70 3HG2 VAL 70 6.855 -3.700 -5.299 517 H GLY 71 H GLY 71 1.755 -1.856 -4.839 518 HA2 GLY 71 1HA GLY 71 1.463 0.025 -7.060 519 HA3 GLY 71 2HA GLY 71 0.172 -0.566 -6.024 520 H ALA 72 H ALA 72 -0.592 1.559 -5.712 521 HA ALA 72 HA ALA 72 0.418 2.846 -3.413 522 HB1 ALA 72 1HB ALA 72 2.168 3.648 -4.870 523 HB2 ALA 72 2HB ALA 72 0.976 4.245 -6.025 524 HB3 ALA 72 3HB ALA 72 1.108 4.988 -4.431 525 H VAL 73 H VAL 73 -1.370 3.553 -2.470 526 HA VAL 73 HA VAL 73 -3.545 4.591 -4.169 527 HB VAL 73 HB VAL 73 -3.605 2.935 -1.677 528 HG11 VAL 73 1HG1 VAL 73 -5.061 4.437 -0.810 529 HG12 VAL 73 2HG1 VAL 73 -5.467 5.119 -2.386 530 HG13 VAL 73 3HG1 VAL 73 -6.192 3.596 -1.871 531 HG21 VAL 73 1HG2 VAL 73 -3.860 1.698 -3.672 532 HG22 VAL 73 2HG2 VAL 73 -5.482 1.858 -2.999 533 HG23 VAL 73 3HG2 VAL 73 -4.984 2.876 -4.350 534 H ASN 74 H ASN 74 -4.058 6.661 -3.919 535 HA ASN 74 HA ASN 74 -2.758 8.259 -1.923 536 HB2 ASN 74 1HB ASN 74 -3.073 9.216 -4.109 537 HB3 ASN 74 2HB ASN 74 -4.809 8.927 -4.040 538 HD21 ASN 74 1HD2 ASN 74 -4.643 11.290 -4.622 539 HD22 ASN 74 2HD2 ASN 74 -4.655 12.412 -3.308 540 H ALA 75 H ALA 75 -3.502 7.688 0.092 541 HA ALA 75 HA ALA 75 -6.008 7.064 0.951 542 HB1 ALA 75 1HB ALA 75 -5.197 8.515 3.064 543 HB2 ALA 75 2HB ALA 75 -4.585 6.903 2.694 544 HB3 ALA 75 3HB ALA 75 -3.663 8.327 2.215 545 H ASP 76 H ASP 76 -4.741 10.290 0.298 546 HA ASP 76 HA ASP 76 -6.888 11.769 1.347 547 HB2 ASP 76 1HB ASP 76 -4.709 12.762 0.748 548 HB3 ASP 76 2HB ASP 76 -5.061 12.487 -0.956 549 H LYS 77 H LYS 77 -6.275 10.562 -1.936 550 HA LYS 77 HA LYS 77 -8.805 11.545 -2.910 551 HB2 LYS 77 1HB LYS 77 -7.015 11.519 -4.483 552 HB3 LYS 77 2HB LYS 77 -6.638 9.838 -4.130 553 HG2 LYS 77 1HG LYS 77 -9.048 9.393 -4.997 554 HG3 LYS 77 2HG LYS 77 -8.867 10.977 -5.753 555 HD2 LYS 77 1HD LYS 77 -6.778 8.846 -6.075 556 HD3 LYS 77 2HD LYS 77 -8.206 8.894 -7.112 557 HE2 LYS 77 1HE LYS 77 -6.515 11.336 -6.732 558 HE3 LYS 77 2HE LYS 77 -6.035 10.086 -7.879 559 HZ1 LYS 77 1HZ LYS 77 -7.453 10.926 -9.335 560 HZ2 LYS 77 2HZ LYS 77 -7.905 12.131 -8.238 561 HZ3 LYS 77 3HZ LYS 77 -8.747 10.664 -8.277 562 H HIS 78 H HIS 78 -7.393 8.275 -2.651 563 HA HIS 78 HA HIS 78 -9.994 7.054 -2.889 564 HB2 HIS 78 1HB HIS 78 -7.331 5.781 -2.226 565 HB3 HIS 78 2HB HIS 78 -8.796 4.935 -2.715 566 HD1 HIS 78 1HD HIS 78 -9.597 6.680 -5.127 567 HD2 HIS 78 2HD HIS 78 -5.737 5.332 -4.389 568 HE1 HIS 78 1HE HIS 78 -8.439 6.701 -7.360 569 HE2 HIS 78 2HE HIS 78 -6.132 5.801 -6.902 570 H GLN 79 H GLN 79 -9.882 8.780 -0.694 571 HA GLN 79 HA GLN 79 -9.230 7.870 1.774 572 HB2 GLN 79 1HB GLN 79 -11.559 9.444 0.770 573 HB3 GLN 79 2HB GLN 79 -11.562 8.920 2.449 574 HG2 GLN 79 1HG GLN 79 -9.552 10.113 2.905 575 HG3 GLN 79 2HG GLN 79 -9.311 10.468 1.195 576 HE21 GLN 79 1HE2 GLN 79 -9.142 12.665 2.204 577 HE22 GLN 79 2HE2 GLN 79 -10.599 13.583 2.339 578 H SER 80 H SER 80 -11.921 6.774 -0.209 579 HA SER 80 HA SER 80 -13.276 5.249 1.705 580 HB2 SER 80 1HB SER 80 -14.146 5.820 -0.568 581 HB3 SER 80 2HB SER 80 -13.035 4.632 -1.249 582 HG SER 80 HG SER 80 -14.376 3.120 -0.698 583 H LEU 81 H LEU 81 -10.718 4.304 -0.576 584 HA LEU 81 HA LEU 81 -10.572 1.603 0.112 585 HB2 LEU 81 1HB LEU 81 -8.503 3.519 -0.930 586 HB3 LEU 81 2HB LEU 81 -8.174 1.804 -0.694 587 HG LEU 81 HG LEU 81 -10.236 2.967 -2.567 588 HD11 LEU 81 1HD1 LEU 81 -7.714 3.171 -3.089 589 HD12 LEU 81 2HD1 LEU 81 -8.794 2.525 -4.324 590 HD13 LEU 81 3HD1 LEU 81 -7.796 1.431 -3.366 591 HD21 LEU 81 1HD2 LEU 81 -9.639 0.217 -1.638 592 HD22 LEU 81 2HD2 LEU 81 -9.987 0.437 -3.353 593 HD23 LEU 81 3HD2 LEU 81 -11.167 0.939 -2.141 594 H GLY 82 H GLY 82 -8.214 4.092 1.111 595 HA2 GLY 82 1HA GLY 82 -6.852 2.710 3.021 596 HA3 GLY 82 2HA GLY 82 -7.181 4.432 3.146 597 H GLY 83 H GLY 83 -9.583 4.852 3.866 598 HA2 GLY 83 1HA GLY 83 -9.832 4.101 6.512 599 HA3 GLY 83 2HA GLY 83 -11.164 4.680 5.523 600 H GLN 84 H GLN 84 -11.423 2.634 3.694 601 HA GLN 84 HA GLN 84 -13.091 0.847 4.930 602 HB2 GLN 84 1HB GLN 84 -13.014 1.137 2.507 603 HB3 GLN 84 2HB GLN 84 -11.428 0.380 2.449 604 HG2 GLN 84 1HG GLN 84 -12.283 -1.732 2.932 605 HG3 GLN 84 2HG GLN 84 -13.801 -1.078 3.545 606 HE21 GLN 84 1HE2 GLN 84 -11.870 -1.453 0.618 607 HE22 GLN 84 2HE2 GLN 84 -13.208 -1.518 -0.473 608 H TYR 85 H TYR 85 -9.664 0.872 4.955 609 HA TYR 85 HA TYR 85 -9.556 -1.894 5.935 610 HB2 TYR 85 1HB TYR 85 -7.490 -0.030 4.798 611 HB3 TYR 85 2HB TYR 85 -7.011 -1.432 5.748 612 HD1 TYR 85 1HD TYR 85 -9.207 -0.562 2.851 613 HD2 TYR 85 2HD TYR 85 -6.606 -3.417 4.637 614 HE1 TYR 85 1HE TYR 85 -9.388 -1.974 0.845 615 HE2 TYR 85 2HE TYR 85 -6.779 -4.836 2.636 616 HH TYR 85 HH TYR 85 -7.345 -4.315 0.053 617 H GLY 86 H GLY 86 -8.725 1.430 6.792 618 HA2 GLY 86 1HA GLY 86 -9.238 1.805 9.265 619 HA3 GLY 86 2HA GLY 86 -8.076 0.510 9.519 620 H VAL 87 H VAL 87 -7.652 2.869 6.987 621 HA VAL 87 HA VAL 87 -5.137 3.687 8.158 622 HB VAL 87 HB VAL 87 -6.443 4.639 5.605 623 HG11 VAL 87 1HG1 VAL 87 -4.526 5.957 6.818 624 HG12 VAL 87 2HG1 VAL 87 -3.507 4.697 6.120 625 HG13 VAL 87 3HG1 VAL 87 -4.490 5.721 5.072 626 HG21 VAL 87 1HG2 VAL 87 -5.766 2.107 5.999 627 HG22 VAL 87 2HG2 VAL 87 -5.484 2.916 4.457 628 HG23 VAL 87 3HG2 VAL 87 -4.164 2.735 5.612 629 H GLN 88 H GLN 88 -5.086 5.227 9.651 630 HA GLN 88 HA GLN 88 -6.935 7.505 9.380 631 HB2 GLN 88 1HB GLN 88 -6.820 7.754 11.822 632 HB3 GLN 88 2HB GLN 88 -7.452 6.180 11.358 633 HG2 GLN 88 1HG GLN 88 -5.480 5.081 11.972 634 HG3 GLN 88 2HG GLN 88 -4.558 6.582 12.021 635 HE21 GLN 88 1HE2 GLN 88 -3.971 5.611 14.144 636 HE22 GLN 88 2HE2 GLN 88 -4.973 5.990 15.499 637 H GLY 89 H GLY 89 -3.659 6.450 9.954 638 HA2 GLY 89 1HA GLY 89 -2.786 9.252 9.662 639 HA3 GLY 89 2HA GLY 89 -2.080 8.222 10.899 640 H PHE 90 H PHE 90 -1.549 9.476 7.934 641 HA PHE 90 HA PHE 90 -0.111 7.141 6.902 642 HB2 PHE 90 1HB PHE 90 -0.060 9.610 5.307 643 HB3 PHE 90 2HB PHE 90 -0.445 7.962 4.821 644 HD1 PHE 90 2HD PHE 90 -2.719 7.360 6.594 645 HD2 PHE 90 1HD PHE 90 -1.773 10.888 4.409 646 HE1 PHE 90 2HE PHE 90 -5.108 7.942 6.507 647 HE2 PHE 90 1HE PHE 90 -4.161 11.477 4.320 648 HZ PHE 90 HZ PHE 90 -5.832 10.003 5.369 649 HA PRO 91 HA PRO 91 1.363 7.418 4.867 650 HB2 PRO 91 1HB PRO 91 3.673 5.993 4.776 651 HB3 PRO 91 2HB PRO 91 3.523 7.623 4.109 652 HG2 PRO 91 1HG PRO 91 4.666 6.748 6.734 653 HG3 PRO 91 2HG PRO 91 5.287 7.951 5.588 654 HD2 PRO 91 1HD PRO 91 3.925 8.637 7.826 655 HD3 PRO 91 2HD PRO 91 3.841 9.586 6.328 656 H THR 92 H THR 92 0.713 5.281 4.616 657 HA THR 92 HA THR 92 1.066 3.484 6.912 658 HB THR 92 HB THR 92 -1.582 4.077 5.577 659 HG1 THR 92 1HG THR 92 -1.485 5.567 7.110 660 HG21 THR 92 1HG2 THR 92 -0.913 1.640 6.400 661 HG22 THR 92 2HG2 THR 92 -2.531 2.296 6.651 662 HG23 THR 92 3HG2 THR 92 -1.355 2.322 7.964 663 H ILE 93 H ILE 93 2.137 1.807 6.089 664 HA ILE 93 HA ILE 93 1.551 0.910 3.365 665 HB ILE 93 HB ILE 93 3.780 0.129 5.246 666 HG12 ILE 93 1HG1 ILE 93 4.168 1.532 2.635 667 HG13 ILE 93 2HG1 ILE 93 3.627 2.468 4.024 668 HG21 ILE 93 1HG2 ILE 93 3.697 -1.754 3.984 669 HG22 ILE 93 2HG2 ILE 93 2.893 -0.950 2.638 670 HG23 ILE 93 3HG2 ILE 93 4.629 -0.748 2.875 671 HD11 ILE 93 1HD1 ILE 93 6.234 1.166 3.508 672 HD12 ILE 93 2HD1 ILE 93 5.866 2.726 4.246 673 HD13 ILE 93 3HD1 ILE 93 5.666 1.240 5.175 674 H LYS 94 H LYS 94 0.880 -1.158 2.875 675 HA LYS 94 HA LYS 94 0.253 -2.953 5.109 676 HB2 LYS 94 1HB LYS 94 -1.657 -1.912 3.033 677 HB3 LYS 94 2HB LYS 94 -1.935 -3.456 3.828 678 HG2 LYS 94 1HG LYS 94 -1.412 -1.066 5.517 679 HG3 LYS 94 2HG LYS 94 -2.991 -1.234 4.744 680 HD2 LYS 94 1HD LYS 94 -3.061 -3.572 5.728 681 HD3 LYS 94 2HD LYS 94 -1.666 -3.099 6.700 682 HE2 LYS 94 1HE LYS 94 -3.070 -1.117 7.458 683 HE3 LYS 94 2HE LYS 94 -4.445 -1.950 6.735 684 HZ1 LYS 94 1HZ LYS 94 -3.552 -3.911 8.195 685 HZ2 LYS 94 2HZ LYS 94 -4.555 -2.724 8.860 686 HZ3 LYS 94 3HZ LYS 94 -2.884 -2.656 9.111 687 H ILE 95 H ILE 95 0.474 -5.102 4.670 688 HA ILE 95 HA ILE 95 1.551 -5.767 2.019 689 HB ILE 95 HB ILE 95 1.853 -7.130 4.691 690 HG12 ILE 95 1HG1 ILE 95 4.008 -6.150 2.826 691 HG13 ILE 95 2HG1 ILE 95 3.257 -5.089 4.013 692 HG21 ILE 95 1HG2 ILE 95 2.814 -8.086 1.997 693 HG22 ILE 95 2HG2 ILE 95 3.212 -8.814 3.553 694 HG23 ILE 95 3HG2 ILE 95 1.547 -8.831 2.972 695 HD11 ILE 95 1HD1 ILE 95 5.456 -6.690 4.411 696 HD12 ILE 95 2HD1 ILE 95 4.477 -5.929 5.665 697 HD13 ILE 95 3HD1 ILE 95 4.147 -7.590 5.176 698 H PHE 96 H PHE 96 0.579 -7.207 0.714 699 HA PHE 96 HA PHE 96 -1.826 -8.562 1.746 700 HB2 PHE 96 1HB PHE 96 -1.258 -7.315 -0.933 701 HB3 PHE 96 2HB PHE 96 -2.520 -8.526 -0.737 702 HD1 PHE 96 1HD PHE 96 -1.373 -5.252 0.593 703 HD2 PHE 96 2HD PHE 96 -4.645 -7.894 -0.062 704 HE1 PHE 96 1HE PHE 96 -2.933 -3.498 1.331 705 HE2 PHE 96 2HE PHE 96 -6.210 -6.144 0.673 706 HZ PHE 96 HZ PHE 96 -5.355 -3.942 1.370 707 H GLY 97 H GLY 97 -1.791 -10.711 1.736 708 HA2 GLY 97 1HA GLY 97 -0.557 -12.223 -0.365 709 HA3 GLY 97 2HA GLY 97 0.370 -12.281 1.127 710 H ALA 98 H ALA 98 -0.545 -13.268 2.976 711 HA ALA 98 HA ALA 98 -1.779 -15.664 2.659 712 HB1 ALA 98 1HB ALA 98 -1.697 -15.795 4.891 713 HB2 ALA 98 2HB ALA 98 -0.933 -14.207 4.813 714 HB3 ALA 98 3HB ALA 98 -2.667 -14.337 5.106 715 H ASN 99 H ASN 99 -3.559 -12.814 3.868 716 HA ASN 99 HA ASN 99 -5.955 -13.868 2.513 717 HB2 ASN 99 1HB ASN 99 -5.990 -14.001 5.037 718 HB3 ASN 99 2HB ASN 99 -5.958 -12.240 5.059 719 HD21 ASN 99 1HD2 ASN 99 -7.947 -11.997 5.989 720 HD22 ASN 99 2HD2 ASN 99 -9.424 -12.388 5.182 721 H LYS 100 H LYS 100 -6.143 -12.642 0.734 722 HA LYS 100 HA LYS 100 -5.293 -9.995 0.438 723 HB2 LYS 100 1HB LYS 100 -7.234 -11.729 -1.055 724 HB3 LYS 100 2HB LYS 100 -7.060 -10.032 -1.483 725 HG2 LYS 100 1HG LYS 100 -4.875 -12.104 -1.488 726 HG3 LYS 100 2HG LYS 100 -5.674 -11.414 -2.903 727 HD2 LYS 100 1HD LYS 100 -4.865 -9.153 -2.071 728 HD3 LYS 100 2HD LYS 100 -3.840 -10.049 -0.947 729 HE2 LYS 100 1HE LYS 100 -3.815 -10.502 -3.923 730 HE3 LYS 100 2HE LYS 100 -2.755 -9.348 -3.116 731 HZ1 LYS 100 1HZ LYS 100 -1.969 -11.773 -3.560 732 HZ2 LYS 100 2HZ LYS 100 -2.838 -12.119 -2.151 733 HZ3 LYS 100 3HZ LYS 100 -1.566 -11.004 -2.108 734 H ASN 101 H ASN 101 -8.106 -11.296 1.931 735 HA ASN 101 HA ASN 101 -9.699 -8.912 1.731 736 HB2 ASN 101 1HB ASN 101 -9.961 -11.527 3.177 737 HB3 ASN 101 2HB ASN 101 -11.009 -10.180 3.611 738 HD21 ASN 101 1HD2 ASN 101 -10.709 -12.835 1.688 739 HD22 ASN 101 2HD2 ASN 101 -11.878 -12.443 0.477 740 H LYS 102 H LYS 102 -7.388 -10.238 3.976 741 HA LYS 102 HA LYS 102 -7.592 -7.778 5.567 742 HB2 LYS 102 1HB LYS 102 -7.150 -10.493 6.808 743 HB3 LYS 102 2HB LYS 102 -7.426 -8.966 7.636 744 HG2 LYS 102 1HG LYS 102 -9.707 -8.914 6.645 745 HG3 LYS 102 2HG LYS 102 -9.410 -10.530 6.001 746 HD2 LYS 102 1HD LYS 102 -8.931 -10.087 8.899 747 HD3 LYS 102 2HD LYS 102 -10.605 -10.137 8.342 748 HE2 LYS 102 1HE LYS 102 -10.277 -12.355 8.762 749 HE3 LYS 102 2HE LYS 102 -9.747 -12.295 7.082 750 HZ1 LYS 102 1HZ LYS 102 -8.289 -13.404 8.948 751 HZ2 LYS 102 2HZ LYS 102 -7.746 -11.817 9.160 752 HZ3 LYS 102 3HZ LYS 102 -7.581 -12.573 7.656 753 HA PRO 103 HA PRO 103 -3.248 -8.220 4.303 754 HB2 PRO 103 1HB PRO 103 -2.705 -5.568 4.513 755 HB3 PRO 103 2HB PRO 103 -3.475 -6.282 3.091 756 HG2 PRO 103 1HG PRO 103 -4.723 -4.833 5.395 757 HG3 PRO 103 2HG PRO 103 -5.072 -4.690 3.662 758 HD2 PRO 103 1HD PRO 103 -6.621 -6.139 5.346 759 HD3 PRO 103 2HD PRO 103 -6.387 -6.583 3.643 760 H GLU 104 H GLU 104 -1.215 -7.387 5.378 761 HA GLU 104 HA GLU 104 -1.592 -7.395 8.297 762 HB2 GLU 104 1HB GLU 104 0.885 -8.207 6.772 763 HB3 GLU 104 2HB GLU 104 0.583 -8.417 8.491 764 HG2 GLU 104 1HG GLU 104 -1.130 -9.712 6.397 765 HG3 GLU 104 2HG GLU 104 0.343 -10.461 7.011 766 H ASP 105 H ASP 105 -0.112 -6.133 9.583 767 HA ASP 105 HA ASP 105 0.315 -3.524 8.468 768 HB2 ASP 105 1HB ASP 105 -0.309 -4.293 10.934 769 HB3 ASP 105 2HB ASP 105 1.443 -4.278 11.124 770 H TYR 106 H TYR 106 2.096 -2.768 7.538 771 HA TYR 106 HA TYR 106 4.438 -4.439 7.342 772 HB2 TYR 106 1HB TYR 106 3.591 -3.153 5.405 773 HB3 TYR 106 2HB TYR 106 3.956 -1.656 6.257 774 HD1 TYR 106 2HD TYR 106 6.047 -4.719 6.174 775 HD2 TYR 106 1HD TYR 106 5.572 -0.712 4.825 776 HE1 TYR 106 2HE TYR 106 8.330 -4.762 5.262 777 HE2 TYR 106 1HE TYR 106 7.854 -0.744 3.908 778 HH TYR 106 HH TYR 106 10.128 -2.499 4.695 779 H GLN 107 H GLN 107 5.881 -4.480 8.928 780 HA GLN 107 HA GLN 107 6.327 -2.074 10.537 781 HB2 GLN 107 1HB GLN 107 7.221 -4.926 10.988 782 HB3 GLN 107 2HB GLN 107 7.514 -3.585 12.088 783 HG2 GLN 107 1HG GLN 107 4.806 -4.634 11.297 784 HG3 GLN 107 2HG GLN 107 5.646 -4.991 12.805 785 HE21 GLN 107 1HE2 GLN 107 3.157 -3.926 12.886 786 HE22 GLN 107 2HE2 GLN 107 3.223 -2.290 13.438 787 H GLY 108 H GLY 108 7.983 -4.346 8.422 788 HA2 GLY 108 1HA GLY 108 10.623 -3.709 8.806 789 HA3 GLY 108 2HA GLY 108 9.941 -4.109 7.236 790 H GLY 109 H GLY 109 11.978 -2.503 7.040 791 HA2 GLY 109 1HA GLY 109 11.401 0.272 7.371 792 HA3 GLY 109 2HA GLY 109 12.731 -0.409 6.446 793 H ARG 110 H ARG 110 10.371 1.658 6.086 794 HA ARG 110 HA ARG 110 9.225 0.662 3.607 795 HB2 ARG 110 1HB ARG 110 7.919 2.747 3.630 796 HB3 ARG 110 2HB ARG 110 7.770 1.867 5.145 797 HG2 ARG 110 1HG ARG 110 9.617 3.402 6.014 798 HG3 ARG 110 2HG ARG 110 9.288 4.389 4.588 799 HD2 ARG 110 1HD ARG 110 6.817 4.234 5.378 800 HD3 ARG 110 2HD ARG 110 7.526 3.793 6.931 801 HE ARG 110 HE ARG 110 8.553 6.214 5.709 802 HH11 ARG 110 2HH1 ARG 110 6.313 4.784 7.958 803 HH12 ARG 110 1HH1 ARG 110 6.087 6.244 8.863 804 HH21 ARG 110 2HH2 ARG 110 8.264 8.143 6.893 805 HH22 ARG 110 1HH2 ARG 110 7.196 8.154 8.255 806 H THR 111 H THR 111 12.066 1.096 3.666 807 HA THR 111 HA THR 111 12.408 3.463 1.965 808 HB THR 111 HB THR 111 14.917 2.711 2.226 809 HG1 THR 111 1HG THR 111 13.989 0.775 3.474 810 HG21 THR 111 1HG2 THR 111 14.212 4.810 3.070 811 HG22 THR 111 2HG2 THR 111 14.995 3.985 4.418 812 HG23 THR 111 3HG2 THR 111 13.235 4.057 4.330 813 H GLY 112 H GLY 112 13.166 3.337 -0.118 814 HA2 GLY 112 1HA GLY 112 12.459 1.352 -1.803 815 HA3 GLY 112 2HA GLY 112 13.861 2.369 -2.104 816 H GLU 113 H GLU 113 15.122 1.230 0.403 817 HA GLU 113 HA GLU 113 16.308 -1.076 -0.920 818 HB2 GLU 113 1HB GLU 113 17.717 -0.868 1.362 819 HB3 GLU 113 2HB GLU 113 18.079 0.065 -0.083 820 HG2 GLU 113 1HG GLU 113 17.165 2.006 0.780 821 HG3 GLU 113 2HG GLU 113 16.191 1.139 1.966 822 H ALA 114 H ALA 114 15.094 -0.339 2.354 823 HA ALA 114 HA ALA 114 15.061 -2.966 3.295 824 HB1 ALA 114 1HB ALA 114 14.795 -0.817 4.620 825 HB2 ALA 114 2HB ALA 114 13.093 -0.865 4.158 826 HB3 ALA 114 3HB ALA 114 13.787 -2.178 5.110 827 H ILE 115 H ILE 115 12.478 -1.070 1.759 828 HA ILE 115 HA ILE 115 10.372 -2.818 1.953 829 HB ILE 115 HB ILE 115 11.110 -1.041 -0.371 830 HG12 ILE 115 1HG1 ILE 115 8.888 -0.545 1.575 831 HG13 ILE 115 2HG1 ILE 115 10.544 -0.186 2.053 832 HG21 ILE 115 1HG2 ILE 115 9.609 -2.832 -1.104 833 HG22 ILE 115 2HG2 ILE 115 8.480 -2.409 0.182 834 HG23 ILE 115 3HG2 ILE 115 8.804 -1.263 -1.119 835 HD11 ILE 115 1HD1 ILE 115 10.783 1.402 0.304 836 HD12 ILE 115 2HD1 ILE 115 9.252 0.916 -0.425 837 HD13 ILE 115 3HD1 ILE 115 9.264 1.743 1.133 838 H VAL 116 H VAL 116 12.985 -2.846 -0.439 839 HA VAL 116 HA VAL 116 12.029 -4.897 -2.074 840 HB VAL 116 HB VAL 116 14.793 -3.906 -1.460 841 HG11 VAL 116 1HG1 VAL 116 15.601 -5.406 -3.297 842 HG12 VAL 116 2HG1 VAL 116 15.159 -6.238 -1.804 843 HG13 VAL 116 3HG1 VAL 116 14.064 -6.264 -3.187 844 HG21 VAL 116 1HG2 VAL 116 13.772 -2.441 -2.917 845 HG22 VAL 116 2HG2 VAL 116 14.574 -3.541 -4.038 846 HG23 VAL 116 3HG2 VAL 116 12.848 -3.712 -3.718 847 H ASP 117 H ASP 117 14.017 -5.039 0.854 848 HA ASP 117 HA ASP 117 14.424 -7.845 0.788 849 HB2 ASP 117 1HB ASP 117 15.728 -6.067 2.115 850 HB3 ASP 117 2HB ASP 117 14.430 -6.184 3.300 851 H ALA 118 H ALA 118 12.137 -5.795 2.577 852 HA ALA 118 HA ALA 118 10.838 -7.813 3.999 853 HB1 ALA 118 1HB ALA 118 10.497 -5.034 3.571 854 HB2 ALA 118 2HB ALA 118 8.938 -5.816 3.304 855 HB3 ALA 118 3HB ALA 118 9.789 -6.046 4.831 856 H ALA 119 H ALA 119 10.074 -6.429 0.816 857 HA ALA 119 HA ALA 119 7.740 -7.834 0.283 858 HB1 ALA 119 1HB ALA 119 8.372 -7.528 -2.136 859 HB2 ALA 119 2HB ALA 119 8.355 -6.058 -1.160 860 HB3 ALA 119 3HB ALA 119 9.888 -6.828 -1.568 861 H LEU 120 H LEU 120 11.105 -8.814 -0.128 862 HA LEU 120 HA LEU 120 10.490 -11.267 -1.456 863 HB2 LEU 120 1HB LEU 120 12.984 -10.360 -0.028 864 HB3 LEU 120 2HB LEU 120 12.858 -11.824 -1.001 865 HG LEU 120 HG LEU 120 12.222 -9.194 -2.258 866 HD11 LEU 120 1HD1 LEU 120 14.941 -9.801 -2.751 867 HD12 LEU 120 2HD1 LEU 120 14.710 -9.754 -1.003 868 HD13 LEU 120 3HD1 LEU 120 14.257 -8.364 -1.990 869 HD21 LEU 120 1HD2 LEU 120 11.883 -11.401 -3.394 870 HD22 LEU 120 2HD2 LEU 120 13.630 -11.633 -3.329 871 HD23 LEU 120 3HD2 LEU 120 12.952 -10.287 -4.246 872 H SER 121 H SER 121 11.559 -10.481 1.850 873 HA SER 121 HA SER 121 11.597 -13.009 2.936 874 HB2 SER 121 1HB SER 121 12.152 -10.693 3.998 875 HB3 SER 121 2HB SER 121 10.467 -10.719 4.518 876 HG SER 121 HG SER 121 12.391 -12.735 5.062 877 H ALA 122 H ALA 122 8.828 -10.900 2.386 878 HA ALA 122 HA ALA 122 6.966 -12.655 3.696 879 HB1 ALA 122 1HB ALA 122 5.404 -11.030 2.191 880 HB2 ALA 122 2HB ALA 122 6.024 -10.617 3.790 881 HB3 ALA 122 3HB ALA 122 6.862 -10.050 2.346 882 H LEU 123 H LEU 123 7.725 -11.837 0.322 883 HA LEU 123 HA LEU 123 5.866 -13.199 -1.084 884 HB2 LEU 123 1HB LEU 123 8.070 -11.988 -1.813 885 HB3 LEU 123 2HB LEU 123 8.722 -13.625 -1.838 886 HG LEU 123 HG LEU 123 8.013 -12.865 -4.060 887 HD11 LEU 123 1HD1 LEU 123 7.985 -15.200 -3.765 888 HD12 LEU 123 2HD1 LEU 123 6.448 -14.800 -4.532 889 HD13 LEU 123 3HD1 LEU 123 6.508 -15.142 -2.803 890 HD21 LEU 123 1HD2 LEU 123 5.982 -11.602 -2.844 891 HD22 LEU 123 2HD2 LEU 123 5.147 -13.063 -3.372 892 HD23 LEU 123 3HD2 LEU 123 5.967 -12.039 -4.552 893 H ARG 124 H ARG 124 8.934 -14.727 -0.082 894 HA ARG 124 HA ARG 124 8.386 -17.316 -0.796 895 HB2 ARG 124 1HB ARG 124 9.937 -17.992 1.041 896 HB3 ARG 124 2HB ARG 124 10.565 -16.713 0.010 897 HG2 ARG 124 1HG ARG 124 9.612 -15.123 1.817 898 HG3 ARG 124 2HG ARG 124 9.611 -16.564 2.836 899 HD2 ARG 124 1HD ARG 124 12.076 -16.782 1.897 900 HD3 ARG 124 2HD ARG 124 11.892 -15.041 1.688 901 HE ARG 124 HE ARG 124 11.952 -14.783 3.971 902 HH11 ARG 124 2HH1 ARG 124 11.588 -18.153 3.178 903 HH12 ARG 124 1HH1 ARG 124 11.863 -18.699 4.800 904 HH21 ARG 124 2HH2 ARG 124 12.316 -15.489 6.110 905 HH22 ARG 124 1HH2 ARG 124 12.277 -17.182 6.466 906 H SER 125 H SER 125 7.569 -15.733 2.278 907 HA SER 125 HA SER 125 6.495 -17.836 3.671 908 HB2 SER 125 1HB SER 125 6.752 -15.470 4.490 909 HB3 SER 125 2HB SER 125 5.280 -15.067 3.608 910 HG SER 125 HG SER 125 4.380 -15.645 5.430 911 H GLY 126 H GLY 126 4.498 -15.547 1.790 912 HA2 GLY 126 1HA GLY 126 2.681 -15.951 0.419 913 HA3 GLY 126 2HA GLY 126 3.008 -17.672 0.560 914 HA PRO 127 HA PRO 127 -0.838 -17.606 2.811 915 HB2 PRO 127 1HB PRO 127 -0.973 -20.292 3.183 916 HB3 PRO 127 2HB PRO 127 -1.380 -19.513 1.649 917 HG2 PRO 127 1HG PRO 127 1.153 -20.885 2.463 918 HG3 PRO 127 2HG PRO 127 0.268 -20.988 0.930 919 HD2 PRO 127 1HD PRO 127 2.471 -19.444 1.239 920 HD3 PRO 127 2HD PRO 127 1.142 -19.004 0.147 921 H SER 128 H SER 128 -1.589 -18.730 4.899 922 HA SER 128 HA SER 128 0.357 -18.137 6.937 923 HB2 SER 128 1HB SER 128 -1.424 -18.286 8.481 924 HB3 SER 128 2HB SER 128 -2.162 -17.626 7.021 925 HG SER 128 HG SER 128 -3.476 -19.261 7.696 926 H SER 129 H SER 129 1.735 -19.539 7.780 927 HA SER 129 HA SER 129 1.848 -22.247 7.060 928 HB2 SER 129 1HB SER 129 3.873 -21.222 7.758 929 HB3 SER 129 2HB SER 129 3.164 -20.683 9.280 930 HG SER 129 HG SER 129 3.056 -22.863 9.924 931 H GLY 130 H GLY 130 1.478 -24.147 8.271 932 HA2 GLY 130 1HA GLY 130 -0.539 -23.803 10.404 933 HA3 GLY 130 2HA GLY 130 -0.553 -25.129 9.250
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